USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 106:sc= -1.66 USER MOD Set 1.2: A 97 MET CE :methyl 160:sc= -1.72 (180deg=-1.79) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 GLN : amide:sc= -1.91 K(o=-1.9,f=-8.8!) USER MOD Single : A 3 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-2.8!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.531 K(o=-0.53,f=-0.0099) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 31 SER OG : rot 180:sc= -1.14 USER MOD Single : A 32 THR OG1 : rot 102:sc= 1.05 USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0128) USER MOD Single : A 38 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-3.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00288 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -32:sc= -0.16! USER MOD Single : A 58 MET CE :methyl -144:sc= -3.43! (180deg=-4.33!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00808) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -4.64 K(o=-4.6,f=-6.1!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -5.62! K(o=-5.6!,f=-4.4) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.158 USER MOD Single : A 92 ASN : amide:sc= -0.144 K(o=-0.14,f=-2!) USER MOD Single : A 93 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= -0.364 (180deg=-1.41!) USER MOD Single : A 102 MET CE :methyl -177:sc= -3.55! (180deg=-3.64!) USER MOD Single : A 103 THR OG1 : rot 99:sc= 0.247 USER MOD Single : A 105 GLN : amide:sc= -9.89! C(o=-9.9!,f=-6.1!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 108:sc= -2.88 USER MOD Single : A 112 LYS NZ :NH3+ 142:sc= -1.43 (180deg=-4.21!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.999 -13.569 -6.722 1.00 0.00 N ATOM 29 CA HIS A 3 -2.488 -12.369 -7.378 1.00 0.00 C ATOM 30 C HIS A 3 -3.615 -11.385 -7.682 1.00 0.00 C ATOM 31 O HIS A 3 -3.505 -10.570 -8.597 1.00 0.00 O ATOM 32 CB HIS A 3 -1.760 -12.743 -8.669 1.00 0.00 C ATOM 33 CG HIS A 3 -0.411 -13.349 -8.439 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.085 -14.394 -9.191 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.550 -13.052 -7.531 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.290 -14.715 -8.755 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.595 -13.915 -7.749 1.00 0.00 N ATOM 0 HA HIS A 3 -1.787 -11.886 -6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.374 -13.446 -9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.649 -11.851 -9.286 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.503 -12.280 -6.777 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.919 -15.498 -9.153 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.467 -13.935 -7.220 1.00 0.00 H new ATOM 46 N SER A 4 -4.695 -11.461 -6.910 1.00 0.00 N ATOM 47 CA SER A 4 -5.832 -10.569 -7.103 1.00 0.00 C ATOM 48 C SER A 4 -6.651 -10.439 -5.824 1.00 0.00 C ATOM 49 O SER A 4 -6.578 -11.284 -4.931 1.00 0.00 O ATOM 50 CB SER A 4 -6.719 -11.067 -8.246 1.00 0.00 C ATOM 51 OG SER A 4 -6.990 -12.452 -8.116 1.00 0.00 O ATOM 0 H SER A 4 -4.806 -12.129 -6.147 1.00 0.00 H new ATOM 0 HA SER A 4 -5.442 -9.585 -7.362 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.655 -10.509 -8.253 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.228 -10.877 -9.200 1.00 0.00 H new ATOM 0 HG SER A 4 -7.560 -12.745 -8.858 1.00 0.00 H new ATOM 57 N GLY A 5 -7.426 -9.366 -5.750 1.00 0.00 N ATOM 58 CA GLY A 5 -8.255 -9.108 -4.590 1.00 0.00 C ATOM 59 C GLY A 5 -8.813 -7.702 -4.623 1.00 0.00 C ATOM 60 O GLY A 5 -8.101 -6.761 -4.961 1.00 0.00 O ATOM 0 H GLY A 5 -7.495 -8.661 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.074 -9.827 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.669 -9.249 -3.682 1.00 0.00 H new ATOM 64 N ALA A 6 -10.089 -7.557 -4.300 1.00 0.00 N ATOM 65 CA ALA A 6 -10.727 -6.249 -4.332 1.00 0.00 C ATOM 66 C ALA A 6 -10.462 -5.441 -3.065 1.00 0.00 C ATOM 67 O ALA A 6 -10.304 -5.996 -1.978 1.00 0.00 O ATOM 68 CB ALA A 6 -12.215 -6.404 -4.588 1.00 0.00 C ATOM 0 H ALA A 6 -10.700 -8.322 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.285 -5.684 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.685 -5.421 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.370 -6.902 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.661 -7.001 -3.792 1.00 0.00 H new ATOM 74 N ALA A 7 -10.400 -4.119 -3.230 1.00 0.00 N ATOM 75 CA ALA A 7 -10.134 -3.210 -2.120 1.00 0.00 C ATOM 76 C ALA A 7 -10.653 -1.803 -2.420 1.00 0.00 C ATOM 77 O ALA A 7 -11.079 -1.516 -3.538 1.00 0.00 O ATOM 78 CB ALA A 7 -8.647 -3.176 -1.827 1.00 0.00 C ATOM 0 H ALA A 7 -10.532 -3.654 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.663 -3.578 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.455 -2.496 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.305 -4.177 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.110 -2.831 -2.711 1.00 0.00 H new ATOM 84 N ILE A 8 -10.624 -0.933 -1.410 1.00 0.00 N ATOM 85 CA ILE A 8 -11.104 0.443 -1.567 1.00 0.00 C ATOM 86 C ILE A 8 -9.954 1.434 -1.735 1.00 0.00 C ATOM 87 O ILE A 8 -9.091 1.543 -0.867 1.00 0.00 O ATOM 88 CB ILE A 8 -11.944 0.901 -0.354 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.078 -0.085 -0.037 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.503 2.299 -0.591 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.689 -0.759 -1.240 1.00 0.00 C ATOM 0 H ILE A 8 -10.275 -1.154 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.721 0.436 -2.466 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.282 0.926 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.695 -0.852 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.863 0.447 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.092 2.607 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.681 3.000 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.136 2.292 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.480 -1.436 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.108 -0.005 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.922 -1.324 -1.769 1.00 0.00 H new ATOM 103 N PHE A 9 -9.966 2.177 -2.838 1.00 0.00 N ATOM 104 CA PHE A 9 -8.934 3.175 -3.088 1.00 0.00 C ATOM 105 C PHE A 9 -9.536 4.575 -3.181 1.00 0.00 C ATOM 106 O PHE A 9 -10.156 4.932 -4.182 1.00 0.00 O ATOM 107 CB PHE A 9 -8.171 2.858 -4.375 1.00 0.00 C ATOM 108 CG PHE A 9 -6.888 3.628 -4.516 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.898 5.010 -4.631 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.671 2.969 -4.533 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.717 5.718 -4.758 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.487 3.670 -4.660 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.510 5.047 -4.772 1.00 0.00 C ATOM 0 H PHE A 9 -10.675 2.107 -3.568 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.240 3.146 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.950 1.791 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.811 3.074 -5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.839 5.540 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.646 1.893 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.738 6.794 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.545 3.142 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.586 5.597 -4.870 1.00 0.00 H new ATOM 123 N GLU A 10 -9.335 5.364 -2.130 1.00 0.00 N ATOM 124 CA GLU A 10 -9.836 6.737 -2.076 1.00 0.00 C ATOM 125 C GLU A 10 -11.361 6.781 -2.016 1.00 0.00 C ATOM 126 O GLU A 10 -12.007 7.441 -2.831 1.00 0.00 O ATOM 127 CB GLU A 10 -9.334 7.539 -3.281 1.00 0.00 C ATOM 128 CG GLU A 10 -8.007 8.240 -3.033 1.00 0.00 C ATOM 129 CD GLU A 10 -8.183 9.660 -2.533 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.057 10.374 -3.067 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.446 10.058 -1.606 1.00 0.00 O ATOM 0 H GLU A 10 -8.824 5.074 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.452 7.188 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.228 6.869 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.084 8.283 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.430 7.671 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.429 8.253 -3.957 1.00 0.00 H new ATOM 138 N LYS A 11 -11.929 6.085 -1.036 1.00 0.00 N ATOM 139 CA LYS A 11 -13.379 6.048 -0.848 1.00 0.00 C ATOM 140 C LYS A 11 -14.090 5.260 -1.950 1.00 0.00 C ATOM 141 O LYS A 11 -15.304 5.060 -1.884 1.00 0.00 O ATOM 142 CB LYS A 11 -13.944 7.472 -0.777 1.00 0.00 C ATOM 143 CG LYS A 11 -14.415 7.868 0.612 1.00 0.00 C ATOM 144 CD LYS A 11 -14.460 9.378 0.776 1.00 0.00 C ATOM 145 CE LYS A 11 -14.305 9.786 2.232 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.620 10.062 2.874 1.00 0.00 N ATOM 0 H LYS A 11 -11.405 5.535 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.565 5.533 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.179 8.175 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.778 7.559 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.406 7.452 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.747 7.440 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.666 9.833 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.405 9.759 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.793 8.994 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.676 10.674 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.471 10.337 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.098 10.835 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.211 9.207 2.837 1.00 0.00 H new ATOM 160 N VAL A 12 -13.347 4.806 -2.958 1.00 0.00 N ATOM 161 CA VAL A 12 -13.939 4.042 -4.042 1.00 0.00 C ATOM 162 C VAL A 12 -13.620 2.571 -3.899 1.00 0.00 C ATOM 163 O VAL A 12 -12.549 2.196 -3.427 1.00 0.00 O ATOM 164 CB VAL A 12 -13.461 4.538 -5.420 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.735 3.508 -6.512 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.146 5.844 -5.742 1.00 0.00 C ATOM 0 H VAL A 12 -12.341 4.955 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.018 4.187 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.382 4.689 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.385 3.892 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.210 2.582 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.806 3.314 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.811 6.200 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.225 5.694 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.897 6.583 -4.981 1.00 0.00 H new ATOM 176 N SER A 13 -14.557 1.746 -4.321 1.00 0.00 N ATOM 177 CA SER A 13 -14.378 0.308 -4.248 1.00 0.00 C ATOM 178 C SER A 13 -13.928 -0.241 -5.594 1.00 0.00 C ATOM 179 O SER A 13 -14.664 -0.185 -6.578 1.00 0.00 O ATOM 180 CB SER A 13 -15.672 -0.375 -3.814 1.00 0.00 C ATOM 181 OG SER A 13 -16.470 0.490 -3.024 1.00 0.00 O ATOM 0 H SER A 13 -15.448 2.044 -4.717 1.00 0.00 H new ATOM 0 HA SER A 13 -13.607 0.099 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.233 -0.689 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.438 -1.276 -3.247 1.00 0.00 H new ATOM 0 HG SER A 13 -17.293 0.027 -2.762 1.00 0.00 H new ATOM 187 N GLY A 14 -12.713 -0.769 -5.630 1.00 0.00 N ATOM 188 CA GLY A 14 -12.182 -1.318 -6.860 1.00 0.00 C ATOM 189 C GLY A 14 -11.531 -2.668 -6.654 1.00 0.00 C ATOM 190 O GLY A 14 -11.533 -3.206 -5.547 1.00 0.00 O ATOM 0 H GLY A 14 -12.085 -0.827 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.986 -1.413 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.452 -0.625 -7.279 1.00 0.00 H new ATOM 194 N ILE A 15 -10.970 -3.217 -7.724 1.00 0.00 N ATOM 195 CA ILE A 15 -10.311 -4.507 -7.660 1.00 0.00 C ATOM 196 C ILE A 15 -8.804 -4.356 -7.700 1.00 0.00 C ATOM 197 O ILE A 15 -8.261 -3.692 -8.580 1.00 0.00 O ATOM 198 CB ILE A 15 -10.728 -5.428 -8.823 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.249 -5.406 -9.020 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.230 -6.848 -8.576 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.040 -5.654 -7.753 1.00 0.00 C ATOM 0 H ILE A 15 -10.960 -2.784 -8.648 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.620 -4.955 -6.716 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.269 -5.057 -9.740 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.537 -4.439 -9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.520 -6.161 -9.758 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.531 -7.489 -9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.143 -6.844 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.659 -7.228 -7.649 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.106 -5.622 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.783 -6.634 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.801 -4.885 -7.018 1.00 0.00 H new ATOM 213 N ILE A 16 -8.128 -5.011 -6.768 1.00 0.00 N ATOM 214 CA ILE A 16 -6.681 -4.978 -6.732 1.00 0.00 C ATOM 215 C ILE A 16 -6.159 -6.268 -7.329 1.00 0.00 C ATOM 216 O ILE A 16 -6.365 -7.347 -6.777 1.00 0.00 O ATOM 217 CB ILE A 16 -6.120 -4.814 -5.293 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.621 -3.388 -5.069 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.994 -5.804 -5.026 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.047 -3.166 -3.686 1.00 0.00 C ATOM 0 H ILE A 16 -8.560 -5.569 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.350 -4.111 -7.304 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.933 -5.019 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.859 -3.156 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.445 -2.693 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.621 -5.666 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.369 -6.821 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.185 -5.635 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.711 -2.133 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.813 -3.367 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.203 -3.838 -3.530 1.00 0.00 H new ATOM 232 N ALA A 17 -5.500 -6.164 -8.463 1.00 0.00 N ATOM 233 CA ALA A 17 -4.971 -7.341 -9.116 1.00 0.00 C ATOM 234 C ALA A 17 -3.471 -7.216 -9.310 1.00 0.00 C ATOM 235 O ALA A 17 -2.987 -6.342 -10.029 1.00 0.00 O ATOM 236 CB ALA A 17 -5.701 -7.597 -10.416 1.00 0.00 C ATOM 0 H ALA A 17 -5.319 -5.285 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.138 -8.208 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.291 -8.486 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.761 -7.750 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.578 -6.739 -11.077 1.00 0.00 H new ATOM 242 N ILE A 18 -2.750 -8.089 -8.625 1.00 0.00 N ATOM 243 CA ILE A 18 -1.295 -8.095 -8.662 1.00 0.00 C ATOM 244 C ILE A 18 -0.761 -8.832 -9.882 1.00 0.00 C ATOM 245 O ILE A 18 -1.310 -9.850 -10.304 1.00 0.00 O ATOM 246 CB ILE A 18 -0.722 -8.738 -7.379 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.129 -7.918 -6.152 1.00 0.00 C ATOM 248 CG2 ILE A 18 0.794 -8.860 -7.461 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.408 -8.757 -4.925 1.00 0.00 C ATOM 0 H ILE A 18 -3.154 -8.811 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.973 -7.056 -8.725 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.135 -9.742 -7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.336 -7.207 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.019 -7.336 -6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.172 -9.315 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.063 -9.482 -8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.233 -7.870 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.690 -8.107 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.222 -9.451 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.513 -9.319 -4.657 1.00 0.00 H new ATOM 261 N ASN A 19 0.327 -8.308 -10.435 1.00 0.00 N ATOM 262 CA ASN A 19 0.962 -8.904 -11.599 1.00 0.00 C ATOM 263 C ASN A 19 2.373 -9.366 -11.253 1.00 0.00 C ATOM 264 O ASN A 19 3.321 -8.584 -11.294 1.00 0.00 O ATOM 265 CB ASN A 19 1.008 -7.903 -12.754 1.00 0.00 C ATOM 266 CG ASN A 19 0.802 -8.564 -14.103 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.267 -8.454 -14.704 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.826 -9.258 -14.585 1.00 0.00 N ATOM 0 H ASN A 19 0.788 -7.466 -10.091 1.00 0.00 H new ATOM 0 HA ASN A 19 0.373 -9.768 -11.908 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.240 -7.144 -12.604 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.969 -7.389 -12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.745 -9.726 -15.487 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.694 -9.323 -14.053 1.00 0.00 H new ATOM 275 N GLU A 20 2.499 -10.639 -10.901 1.00 0.00 N ATOM 276 CA GLU A 20 3.791 -11.212 -10.539 1.00 0.00 C ATOM 277 C GLU A 20 4.590 -11.613 -11.779 1.00 0.00 C ATOM 278 O GLU A 20 5.703 -12.128 -11.668 1.00 0.00 O ATOM 279 CB GLU A 20 3.591 -12.428 -9.632 1.00 0.00 C ATOM 280 CG GLU A 20 4.538 -12.464 -8.445 1.00 0.00 C ATOM 281 CD GLU A 20 5.344 -13.747 -8.376 1.00 0.00 C ATOM 282 OE1 GLU A 20 4.744 -14.832 -8.527 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.573 -13.666 -8.172 1.00 0.00 O ATOM 0 H GLU A 20 1.721 -11.297 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 20 4.357 -10.450 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.564 -12.433 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.725 -13.336 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.219 -11.615 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.965 -12.350 -7.525 1.00 0.00 H new ATOM 290 N ASP A 21 4.020 -11.377 -12.958 1.00 0.00 N ATOM 291 CA ASP A 21 4.686 -11.717 -14.210 1.00 0.00 C ATOM 292 C ASP A 21 5.675 -10.630 -14.628 1.00 0.00 C ATOM 293 O ASP A 21 6.323 -10.739 -15.669 1.00 0.00 O ATOM 294 CB ASP A 21 3.652 -11.926 -15.315 1.00 0.00 C ATOM 295 CG ASP A 21 4.183 -12.775 -16.454 1.00 0.00 C ATOM 296 OD1 ASP A 21 5.062 -12.289 -17.196 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.721 -13.925 -16.601 1.00 0.00 O ATOM 0 H ASP A 21 3.100 -10.952 -13.071 1.00 0.00 H new ATOM 0 HA ASP A 21 5.242 -12.641 -14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.766 -12.402 -14.894 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.339 -10.957 -15.704 1.00 0.00 H new ATOM 302 N VAL A 22 5.789 -9.582 -13.816 1.00 0.00 N ATOM 303 CA VAL A 22 6.703 -8.485 -14.118 1.00 0.00 C ATOM 304 C VAL A 22 7.987 -8.605 -13.301 1.00 0.00 C ATOM 305 O VAL A 22 8.302 -9.670 -12.773 1.00 0.00 O ATOM 306 CB VAL A 22 6.070 -7.093 -13.874 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.010 -6.295 -15.168 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.699 -7.227 -13.270 1.00 0.00 C ATOM 0 H VAL A 22 5.263 -9.470 -12.949 1.00 0.00 H new ATOM 0 HA VAL A 22 6.932 -8.566 -15.181 1.00 0.00 H new ATOM 0 HB VAL A 22 6.701 -6.553 -13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.562 -5.320 -14.974 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.018 -6.159 -15.559 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.407 -6.833 -15.899 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.274 -6.236 -13.108 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.057 -7.791 -13.947 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.771 -7.751 -12.317 1.00 0.00 H new ATOM 318 N SER A 23 8.719 -7.503 -13.203 1.00 0.00 N ATOM 319 CA SER A 23 9.967 -7.470 -12.453 1.00 0.00 C ATOM 320 C SER A 23 10.572 -6.068 -12.492 1.00 0.00 C ATOM 321 O SER A 23 11.192 -5.684 -13.484 1.00 0.00 O ATOM 322 CB SER A 23 10.957 -8.488 -13.020 1.00 0.00 C ATOM 323 OG SER A 23 12.289 -8.170 -12.652 1.00 0.00 O ATOM 0 H SER A 23 8.467 -6.615 -13.637 1.00 0.00 H new ATOM 0 HA SER A 23 9.755 -7.731 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.705 -9.485 -12.657 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.874 -8.514 -14.107 1.00 0.00 H new ATOM 0 HG SER A 23 12.900 -8.838 -13.027 1.00 0.00 H new ATOM 329 N PRO A 24 10.399 -5.277 -11.417 1.00 0.00 N ATOM 330 CA PRO A 24 9.668 -5.693 -10.213 1.00 0.00 C ATOM 331 C PRO A 24 8.184 -5.927 -10.480 1.00 0.00 C ATOM 332 O PRO A 24 7.637 -5.443 -11.470 1.00 0.00 O ATOM 333 CB PRO A 24 9.846 -4.518 -9.242 1.00 0.00 C ATOM 334 CG PRO A 24 10.936 -3.676 -9.816 1.00 0.00 C ATOM 335 CD PRO A 24 10.915 -3.907 -11.298 1.00 0.00 C ATOM 0 HA PRO A 24 10.048 -6.640 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.922 -3.948 -9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.109 -4.871 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.776 -2.623 -9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.902 -3.951 -9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.273 -3.189 -11.808 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.909 -3.812 -11.734 1.00 0.00 H new ATOM 343 N ALA A 25 7.536 -6.665 -9.580 1.00 0.00 N ATOM 344 CA ALA A 25 6.111 -6.955 -9.708 1.00 0.00 C ATOM 345 C ALA A 25 5.307 -5.671 -9.820 1.00 0.00 C ATOM 346 O ALA A 25 5.870 -4.585 -9.945 1.00 0.00 O ATOM 347 CB ALA A 25 5.621 -7.757 -8.514 1.00 0.00 C ATOM 0 H ALA A 25 7.976 -7.072 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 25 5.970 -7.541 -10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.557 -7.964 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.169 -8.697 -8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.785 -7.186 -7.600 1.00 0.00 H new ATOM 353 N GLU A 26 3.986 -5.795 -9.763 1.00 0.00 N ATOM 354 CA GLU A 26 3.131 -4.624 -9.848 1.00 0.00 C ATOM 355 C GLU A 26 1.716 -4.909 -9.365 1.00 0.00 C ATOM 356 O GLU A 26 1.153 -5.974 -9.618 1.00 0.00 O ATOM 357 CB GLU A 26 3.096 -4.097 -11.284 1.00 0.00 C ATOM 358 CG GLU A 26 4.216 -3.121 -11.602 1.00 0.00 C ATOM 359 CD GLU A 26 3.803 -2.068 -12.611 1.00 0.00 C ATOM 360 OE1 GLU A 26 2.881 -2.339 -13.409 1.00 0.00 O ATOM 361 OE2 GLU A 26 4.400 -0.971 -12.604 1.00 0.00 O ATOM 0 H GLU A 26 3.492 -6.682 -9.660 1.00 0.00 H new ATOM 0 HA GLU A 26 3.556 -3.866 -9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.154 -4.940 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.138 -3.607 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.538 -2.632 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.074 -3.672 -11.988 1.00 0.00 H new ATOM 368 N LEU A 27 1.149 -3.923 -8.684 1.00 0.00 N ATOM 369 CA LEU A 27 -0.206 -4.004 -8.164 1.00 0.00 C ATOM 370 C LEU A 27 -1.100 -3.082 -8.990 1.00 0.00 C ATOM 371 O LEU A 27 -0.637 -2.057 -9.489 1.00 0.00 O ATOM 372 CB LEU A 27 -0.214 -3.589 -6.696 1.00 0.00 C ATOM 373 CG LEU A 27 -1.589 -3.301 -6.101 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.625 -3.749 -4.661 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.911 -1.820 -6.195 1.00 0.00 C ATOM 0 H LEU A 27 1.619 -3.042 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.580 -5.025 -8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.257 -4.379 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.404 -2.698 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.339 -3.853 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.609 -3.541 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.426 -4.819 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.866 -3.210 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.895 -1.634 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.162 -1.249 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.907 -1.512 -7.241 1.00 0.00 H new ATOM 387 N THR A 28 -2.366 -3.444 -9.164 1.00 0.00 N ATOM 388 CA THR A 28 -3.266 -2.621 -9.965 1.00 0.00 C ATOM 389 C THR A 28 -4.682 -2.593 -9.407 1.00 0.00 C ATOM 390 O THR A 28 -5.445 -3.546 -9.571 1.00 0.00 O ATOM 391 CB THR A 28 -3.294 -3.131 -11.407 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.020 -3.616 -11.792 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.705 -2.073 -12.408 1.00 0.00 C ATOM 0 H THR A 28 -2.787 -4.285 -8.770 1.00 0.00 H new ATOM 0 HA THR A 28 -2.881 -1.602 -9.934 1.00 0.00 H new ATOM 0 HB THR A 28 -4.039 -3.927 -11.418 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.059 -3.939 -12.716 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.704 -2.501 -13.411 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.706 -1.714 -12.168 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.002 -1.241 -12.368 1.00 0.00 H new ATOM 401 N TRP A 29 -5.037 -1.482 -8.770 1.00 0.00 N ATOM 402 CA TRP A 29 -6.362 -1.314 -8.217 1.00 0.00 C ATOM 403 C TRP A 29 -7.269 -0.639 -9.239 1.00 0.00 C ATOM 404 O TRP A 29 -7.098 0.539 -9.543 1.00 0.00 O ATOM 405 CB TRP A 29 -6.305 -0.456 -6.956 1.00 0.00 C ATOM 406 CG TRP A 29 -7.661 -0.148 -6.413 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.360 -0.902 -5.532 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.489 0.976 -6.735 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.576 -0.318 -5.266 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.678 0.839 -5.996 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.337 2.087 -7.570 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.712 1.769 -6.069 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.364 3.010 -7.643 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.538 2.847 -6.897 1.00 0.00 C ATOM 0 H TRP A 29 -4.417 -0.685 -8.627 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.759 -2.298 -7.966 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.721 -0.973 -6.195 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.785 0.476 -7.178 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.012 -1.829 -5.100 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.285 -0.684 -4.631 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.434 2.222 -8.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.618 1.645 -5.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.259 3.871 -8.286 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.322 3.586 -6.976 1.00 0.00 H new ATOM 425 N ARG A 30 -8.229 -1.386 -9.762 1.00 0.00 N ATOM 426 CA ARG A 30 -9.159 -0.845 -10.747 1.00 0.00 C ATOM 427 C ARG A 30 -10.549 -0.691 -10.145 1.00 0.00 C ATOM 428 O ARG A 30 -11.083 -1.626 -9.558 1.00 0.00 O ATOM 429 CB ARG A 30 -9.221 -1.754 -11.977 1.00 0.00 C ATOM 430 CG ARG A 30 -9.881 -1.104 -13.181 1.00 0.00 C ATOM 431 CD ARG A 30 -9.270 -1.596 -14.484 1.00 0.00 C ATOM 432 NE ARG A 30 -9.206 -0.540 -15.492 1.00 0.00 N ATOM 433 CZ ARG A 30 -8.996 -0.763 -16.787 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.828 -2.001 -17.235 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.953 0.255 -17.636 1.00 0.00 N ATOM 0 H ARG A 30 -8.386 -2.365 -9.523 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.799 0.138 -11.051 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.209 -2.056 -12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.767 -2.662 -11.720 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.949 -1.322 -13.174 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.776 -0.021 -13.115 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.266 -1.976 -14.293 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.858 -2.429 -14.869 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.330 0.425 -15.185 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.860 -2.787 -16.586 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.667 -2.166 -18.229 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.081 1.208 -17.296 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.792 0.085 -18.629 1.00 0.00 H new ATOM 449 N SER A 31 -11.140 0.491 -10.292 1.00 0.00 N ATOM 450 CA SER A 31 -12.471 0.743 -9.751 1.00 0.00 C ATOM 451 C SER A 31 -13.435 -0.367 -10.163 1.00 0.00 C ATOM 452 O SER A 31 -13.213 -1.051 -11.161 1.00 0.00 O ATOM 453 CB SER A 31 -12.995 2.096 -10.236 1.00 0.00 C ATOM 454 OG SER A 31 -13.873 2.674 -9.287 1.00 0.00 O ATOM 0 H SER A 31 -10.722 1.284 -10.778 1.00 0.00 H new ATOM 0 HA SER A 31 -12.401 0.760 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.158 2.769 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.514 1.969 -11.186 1.00 0.00 H new ATOM 0 HG SER A 31 -14.192 3.538 -9.621 1.00 0.00 H new ATOM 460 N THR A 32 -14.502 -0.541 -9.393 1.00 0.00 N ATOM 461 CA THR A 32 -15.489 -1.567 -9.689 1.00 0.00 C ATOM 462 C THR A 32 -16.302 -1.161 -10.904 1.00 0.00 C ATOM 463 O THR A 32 -16.680 -1.993 -11.729 1.00 0.00 O ATOM 464 CB THR A 32 -16.405 -1.788 -8.483 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.685 -2.356 -7.403 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.576 -2.696 -8.779 1.00 0.00 C ATOM 0 H THR A 32 -14.704 0.014 -8.562 1.00 0.00 H new ATOM 0 HA THR A 32 -14.974 -2.503 -9.905 1.00 0.00 H new ATOM 0 HB THR A 32 -16.787 -0.800 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.477 -1.659 -6.746 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.184 -2.810 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.181 -2.262 -9.575 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.209 -3.672 -9.095 1.00 0.00 H new ATOM 474 N ASP A 33 -16.556 0.131 -11.000 1.00 0.00 N ATOM 475 CA ASP A 33 -17.318 0.682 -12.108 1.00 0.00 C ATOM 476 C ASP A 33 -16.430 0.895 -13.333 1.00 0.00 C ATOM 477 O ASP A 33 -16.925 1.027 -14.452 1.00 0.00 O ATOM 478 CB ASP A 33 -17.973 2.003 -11.700 1.00 0.00 C ATOM 479 CG ASP A 33 -19.345 2.183 -12.318 1.00 0.00 C ATOM 480 OD1 ASP A 33 -20.075 1.177 -12.445 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.690 3.328 -12.676 1.00 0.00 O ATOM 0 H ASP A 33 -16.244 0.824 -10.319 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.096 -0.035 -12.369 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.059 2.043 -10.614 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.331 2.831 -12.000 1.00 0.00 H new ATOM 486 N GLY A 34 -15.118 0.929 -13.114 1.00 0.00 N ATOM 487 CA GLY A 34 -14.187 1.126 -14.210 1.00 0.00 C ATOM 488 C GLY A 34 -13.985 2.591 -14.541 1.00 0.00 C ATOM 489 O GLY A 34 -13.810 2.953 -15.704 1.00 0.00 O ATOM 0 H GLY A 34 -14.684 0.824 -12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.227 0.679 -13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.555 0.604 -15.094 1.00 0.00 H new ATOM 493 N ASP A 35 -14.016 3.437 -13.516 1.00 0.00 N ATOM 494 CA ASP A 35 -13.841 4.872 -13.703 1.00 0.00 C ATOM 495 C ASP A 35 -12.382 5.287 -13.536 1.00 0.00 C ATOM 496 O ASP A 35 -11.971 6.343 -14.018 1.00 0.00 O ATOM 497 CB ASP A 35 -14.719 5.646 -12.717 1.00 0.00 C ATOM 498 CG ASP A 35 -15.219 6.956 -13.292 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.115 6.918 -14.161 1.00 0.00 O ATOM 500 OD2 ASP A 35 -14.716 8.019 -12.874 1.00 0.00 O ATOM 0 H ASP A 35 -14.161 3.153 -12.547 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.144 5.111 -14.722 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.571 5.029 -12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.151 5.845 -11.808 1.00 0.00 H new ATOM 505 N LYS A 36 -11.601 4.459 -12.849 1.00 0.00 N ATOM 506 CA LYS A 36 -10.190 4.759 -12.624 1.00 0.00 C ATOM 507 C LYS A 36 -9.461 3.577 -12.006 1.00 0.00 C ATOM 508 O LYS A 36 -10.075 2.660 -11.461 1.00 0.00 O ATOM 509 CB LYS A 36 -10.044 5.992 -11.729 1.00 0.00 C ATOM 510 CG LYS A 36 -10.508 5.764 -10.297 1.00 0.00 C ATOM 511 CD LYS A 36 -11.576 6.766 -9.885 1.00 0.00 C ATOM 512 CE LYS A 36 -10.960 8.052 -9.358 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.672 9.019 -10.454 1.00 0.00 N ATOM 0 H LYS A 36 -11.918 3.580 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.737 4.965 -13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.999 6.301 -11.719 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.615 6.814 -12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.901 4.752 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.656 5.842 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.214 6.991 -10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.213 6.326 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.637 8.511 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.037 7.821 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.316 9.908 -10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.955 8.618 -11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.544 9.207 -10.989 1.00 0.00 H new ATOM 527 N VAL A 37 -8.142 3.605 -12.123 1.00 0.00 N ATOM 528 CA VAL A 37 -7.299 2.543 -11.610 1.00 0.00 C ATOM 529 C VAL A 37 -5.971 3.095 -11.095 1.00 0.00 C ATOM 530 O VAL A 37 -5.462 4.092 -11.606 1.00 0.00 O ATOM 531 CB VAL A 37 -7.040 1.501 -12.718 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.857 2.197 -14.062 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.840 0.614 -12.390 1.00 0.00 C ATOM 0 H VAL A 37 -7.630 4.363 -12.575 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.816 2.068 -10.776 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.912 0.849 -12.779 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.675 1.451 -14.836 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.758 2.760 -14.306 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.007 2.877 -14.007 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.690 -0.107 -13.194 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.948 1.232 -12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.025 0.083 -11.456 1.00 0.00 H new ATOM 543 N HIS A 38 -5.416 2.435 -10.085 1.00 0.00 N ATOM 544 CA HIS A 38 -4.146 2.853 -9.502 1.00 0.00 C ATOM 545 C HIS A 38 -3.131 1.716 -9.555 1.00 0.00 C ATOM 546 O HIS A 38 -3.359 0.642 -8.998 1.00 0.00 O ATOM 547 CB HIS A 38 -4.348 3.306 -8.055 1.00 0.00 C ATOM 548 CG HIS A 38 -4.744 4.745 -7.928 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.047 5.151 -7.726 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.002 5.876 -7.975 1.00 0.00 C ATOM 551 CE1 HIS A 38 -6.088 6.470 -7.655 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.861 6.933 -7.803 1.00 0.00 N ATOM 0 H HIS A 38 -5.826 1.607 -9.652 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.762 3.691 -10.084 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.114 2.684 -7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.425 3.141 -7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.934 5.936 -8.121 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.975 7.067 -7.502 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.594 7.917 -7.791 1.00 0.00 H new ATOM 561 N THR A 39 -2.012 1.956 -10.231 1.00 0.00 N ATOM 562 CA THR A 39 -0.968 0.946 -10.356 1.00 0.00 C ATOM 563 C THR A 39 0.121 1.155 -9.309 1.00 0.00 C ATOM 564 O THR A 39 0.464 2.289 -8.970 1.00 0.00 O ATOM 565 CB THR A 39 -0.359 0.979 -11.760 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.194 1.694 -12.654 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.134 -0.398 -12.344 1.00 0.00 C ATOM 0 H THR A 39 -1.805 2.838 -10.699 1.00 0.00 H new ATOM 0 HA THR A 39 -1.422 -0.031 -10.190 1.00 0.00 H new ATOM 0 HB THR A 39 0.607 1.471 -11.645 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.786 1.705 -13.545 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.299 -0.305 -13.340 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.547 -0.958 -11.703 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.086 -0.925 -12.411 1.00 0.00 H new ATOM 575 N VAL A 40 0.654 0.054 -8.792 1.00 0.00 N ATOM 576 CA VAL A 40 1.696 0.109 -7.774 1.00 0.00 C ATOM 577 C VAL A 40 2.909 -0.722 -8.172 1.00 0.00 C ATOM 578 O VAL A 40 2.774 -1.843 -8.661 1.00 0.00 O ATOM 579 CB VAL A 40 1.155 -0.401 -6.412 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.017 -1.508 -5.821 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.027 0.724 -5.411 1.00 0.00 C ATOM 0 H VAL A 40 0.380 -0.891 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 40 2.001 1.151 -7.680 1.00 0.00 H new ATOM 0 HB VAL A 40 0.167 -0.813 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.595 -1.829 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.045 -2.353 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.029 -1.135 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.645 0.331 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.005 1.177 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.339 1.477 -5.795 1.00 0.00 H new ATOM 591 N VAL A 41 4.091 -0.184 -7.913 1.00 0.00 N ATOM 592 CA VAL A 41 5.324 -0.896 -8.195 1.00 0.00 C ATOM 593 C VAL A 41 5.895 -1.421 -6.886 1.00 0.00 C ATOM 594 O VAL A 41 6.597 -0.703 -6.175 1.00 0.00 O ATOM 595 CB VAL A 41 6.367 -0.002 -8.891 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.565 -0.826 -9.340 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.741 0.728 -10.070 1.00 0.00 C ATOM 0 H VAL A 41 4.221 0.743 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 41 5.095 -1.716 -8.876 1.00 0.00 H new ATOM 0 HB VAL A 41 6.716 0.742 -8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.291 -0.176 -9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.027 -1.298 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.236 -1.595 -10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.492 1.355 -10.550 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.362 0.001 -10.788 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.919 1.352 -9.717 1.00 0.00 H new ATOM 607 N LEU A 42 5.566 -2.671 -6.561 1.00 0.00 N ATOM 608 CA LEU A 42 6.016 -3.303 -5.320 1.00 0.00 C ATOM 609 C LEU A 42 7.479 -2.977 -5.001 1.00 0.00 C ATOM 610 O LEU A 42 7.892 -3.021 -3.843 1.00 0.00 O ATOM 611 CB LEU A 42 5.819 -4.818 -5.404 1.00 0.00 C ATOM 612 CG LEU A 42 4.371 -5.318 -5.257 1.00 0.00 C ATOM 613 CD1 LEU A 42 4.010 -5.515 -3.801 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.378 -4.368 -5.893 1.00 0.00 C ATOM 0 H LEU A 42 4.984 -3.271 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 42 5.410 -2.899 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.206 -5.162 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.425 -5.287 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 42 4.317 -6.274 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.982 -5.869 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.680 -6.251 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.108 -4.568 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.368 -4.759 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.452 -3.391 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.598 -4.269 -6.956 1.00 0.00 H new ATOM 626 N SER A 43 8.250 -2.628 -6.026 1.00 0.00 N ATOM 627 CA SER A 43 9.652 -2.276 -5.843 1.00 0.00 C ATOM 628 C SER A 43 9.752 -0.866 -5.286 1.00 0.00 C ATOM 629 O SER A 43 10.442 -0.624 -4.295 1.00 0.00 O ATOM 630 CB SER A 43 10.410 -2.380 -7.168 1.00 0.00 C ATOM 631 OG SER A 43 11.471 -1.442 -7.232 1.00 0.00 O ATOM 0 H SER A 43 7.926 -2.582 -6.992 1.00 0.00 H new ATOM 0 HA SER A 43 10.104 -2.974 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.807 -3.389 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.722 -2.211 -7.997 1.00 0.00 H new ATOM 0 HG SER A 43 11.937 -1.534 -8.089 1.00 0.00 H new ATOM 637 N THR A 44 9.036 0.060 -5.916 1.00 0.00 N ATOM 638 CA THR A 44 9.020 1.432 -5.472 1.00 0.00 C ATOM 639 C THR A 44 8.381 1.512 -4.094 1.00 0.00 C ATOM 640 O THR A 44 8.696 2.401 -3.302 1.00 0.00 O ATOM 641 CB THR A 44 8.247 2.291 -6.466 1.00 0.00 C ATOM 642 OG1 THR A 44 6.864 1.992 -6.423 1.00 0.00 O ATOM 643 CG2 THR A 44 8.716 2.123 -7.896 1.00 0.00 C ATOM 0 H THR A 44 8.460 -0.125 -6.738 1.00 0.00 H new ATOM 0 HA THR A 44 10.042 1.806 -5.412 1.00 0.00 H new ATOM 0 HB THR A 44 8.433 3.321 -6.162 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.741 1.044 -6.208 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.124 2.762 -8.551 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.767 2.403 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.595 1.083 -8.199 1.00 0.00 H new ATOM 651 N ILE A 45 7.488 0.562 -3.804 1.00 0.00 N ATOM 652 CA ILE A 45 6.822 0.522 -2.510 1.00 0.00 C ATOM 653 C ILE A 45 7.850 0.473 -1.377 1.00 0.00 C ATOM 654 O ILE A 45 8.540 -0.529 -1.195 1.00 0.00 O ATOM 655 CB ILE A 45 5.894 -0.703 -2.393 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.840 -0.683 -3.503 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.236 -0.744 -1.021 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.871 0.476 -3.408 1.00 0.00 C ATOM 0 H ILE A 45 7.214 -0.182 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 45 6.224 1.429 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 45 6.494 -1.606 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.344 -0.644 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.278 -1.617 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.584 -1.615 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.005 -0.807 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.647 0.161 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.156 0.421 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.338 0.428 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.420 1.415 -3.468 1.00 0.00 H new ATOM 670 N ASP A 46 7.948 1.567 -0.627 1.00 0.00 N ATOM 671 CA ASP A 46 8.893 1.657 0.481 1.00 0.00 C ATOM 672 C ASP A 46 8.668 0.543 1.501 1.00 0.00 C ATOM 673 O ASP A 46 9.604 0.107 2.171 1.00 0.00 O ATOM 674 CB ASP A 46 8.776 3.020 1.166 1.00 0.00 C ATOM 675 CG ASP A 46 9.801 3.205 2.269 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.984 2.877 2.039 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.420 3.677 3.360 1.00 0.00 O ATOM 0 H ASP A 46 7.383 2.405 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 46 9.896 1.542 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.900 3.808 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.775 3.129 1.583 1.00 0.00 H new ATOM 682 N LYS A 47 7.425 0.086 1.619 1.00 0.00 N ATOM 683 CA LYS A 47 7.093 -0.977 2.561 1.00 0.00 C ATOM 684 C LYS A 47 5.655 -1.445 2.375 1.00 0.00 C ATOM 685 O LYS A 47 4.871 -0.819 1.661 1.00 0.00 O ATOM 686 CB LYS A 47 7.314 -0.504 4.001 1.00 0.00 C ATOM 687 CG LYS A 47 6.321 0.546 4.466 1.00 0.00 C ATOM 688 CD LYS A 47 6.280 0.644 5.985 1.00 0.00 C ATOM 689 CE LYS A 47 6.620 2.047 6.463 1.00 0.00 C ATOM 690 NZ LYS A 47 5.809 2.441 7.648 1.00 0.00 N ATOM 0 H LYS A 47 6.634 0.434 1.076 1.00 0.00 H new ATOM 0 HA LYS A 47 7.754 -1.821 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.256 -1.364 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.322 -0.100 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.591 1.515 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.328 0.301 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.288 0.368 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.983 -0.069 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.679 2.098 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.450 2.757 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.070 3.403 7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.799 2.417 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.990 1.778 8.429 1.00 0.00 H new ATOM 704 N LEU A 48 5.319 -2.555 3.019 1.00 0.00 N ATOM 705 CA LEU A 48 3.980 -3.124 2.927 1.00 0.00 C ATOM 706 C LEU A 48 3.215 -2.956 4.241 1.00 0.00 C ATOM 707 O LEU A 48 3.608 -3.510 5.267 1.00 0.00 O ATOM 708 CB LEU A 48 4.076 -4.608 2.589 1.00 0.00 C ATOM 709 CG LEU A 48 2.983 -5.128 1.664 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.393 -4.923 0.219 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.703 -6.595 1.946 1.00 0.00 C ATOM 0 H LEU A 48 5.959 -3.082 3.614 1.00 0.00 H new ATOM 0 HA LEU A 48 3.441 -2.594 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.044 -4.798 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.049 -5.179 3.517 1.00 0.00 H new ATOM 0 HG LEU A 48 2.065 -4.570 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.608 -5.297 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.548 -3.860 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.318 -5.464 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.920 -6.951 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.611 -7.176 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.377 -6.711 2.980 1.00 0.00 H new ATOM 723 N GLN A 49 2.116 -2.210 4.204 1.00 0.00 N ATOM 724 CA GLN A 49 1.298 -1.999 5.391 1.00 0.00 C ATOM 725 C GLN A 49 -0.040 -2.708 5.235 1.00 0.00 C ATOM 726 O GLN A 49 -0.630 -2.693 4.162 1.00 0.00 O ATOM 727 CB GLN A 49 1.069 -0.505 5.621 1.00 0.00 C ATOM 728 CG GLN A 49 1.389 -0.049 7.035 1.00 0.00 C ATOM 729 CD GLN A 49 2.848 -0.251 7.396 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.539 -1.076 6.799 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.324 0.505 8.378 1.00 0.00 N ATOM 0 H GLN A 49 1.772 -1.742 3.365 1.00 0.00 H new ATOM 0 HA GLN A 49 1.823 -2.411 6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.682 0.060 4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.029 -0.267 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.135 1.006 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.765 -0.598 7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.715 1.177 8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.299 0.414 8.665 1.00 0.00 H new ATOM 740 N ALA A 50 -0.513 -3.340 6.300 1.00 0.00 N ATOM 741 CA ALA A 50 -1.779 -4.054 6.248 1.00 0.00 C ATOM 742 C ALA A 50 -2.385 -4.200 7.639 1.00 0.00 C ATOM 743 O ALA A 50 -1.670 -4.426 8.616 1.00 0.00 O ATOM 744 CB ALA A 50 -1.564 -5.411 5.608 1.00 0.00 C ATOM 0 H ALA A 50 -0.042 -3.373 7.204 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.483 -3.481 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.511 -5.948 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.178 -5.279 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.848 -5.982 6.198 1.00 0.00 H new ATOM 750 N THR A 51 -3.708 -4.069 7.729 1.00 0.00 N ATOM 751 CA THR A 51 -4.399 -4.189 9.011 1.00 0.00 C ATOM 752 C THR A 51 -3.975 -5.464 9.744 1.00 0.00 C ATOM 753 O THR A 51 -3.845 -6.524 9.132 1.00 0.00 O ATOM 754 CB THR A 51 -5.915 -4.183 8.803 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.301 -5.191 7.887 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.441 -2.863 8.282 1.00 0.00 C ATOM 0 H THR A 51 -4.319 -3.881 6.934 1.00 0.00 H new ATOM 0 HA THR A 51 -4.123 -3.331 9.624 1.00 0.00 H new ATOM 0 HB THR A 51 -6.342 -4.363 9.789 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.727 -5.928 8.372 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.522 -2.926 8.157 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.204 -2.071 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.977 -2.640 7.321 1.00 0.00 H new ATOM 847 N MET A 58 -10.060 -5.028 7.910 1.00 0.00 N ATOM 848 CA MET A 58 -9.253 -5.696 6.894 1.00 0.00 C ATOM 849 C MET A 58 -8.885 -4.725 5.776 1.00 0.00 C ATOM 850 O MET A 58 -9.709 -4.410 4.918 1.00 0.00 O ATOM 851 CB MET A 58 -10.008 -6.897 6.318 1.00 0.00 C ATOM 852 CG MET A 58 -11.505 -6.670 6.176 1.00 0.00 C ATOM 853 SD MET A 58 -12.406 -6.979 7.707 1.00 0.00 S ATOM 854 CE MET A 58 -11.892 -8.654 8.075 1.00 0.00 C ATOM 0 HA MET A 58 -8.335 -6.049 7.365 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.593 -7.141 5.340 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.840 -7.762 6.960 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.684 -5.644 5.855 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.894 -7.321 5.393 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.724 -9.201 8.518 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.580 -9.149 7.155 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.058 -8.633 8.776 1.00 0.00 H new ATOM 864 N MET A 59 -7.646 -4.244 5.799 1.00 0.00 N ATOM 865 CA MET A 59 -7.176 -3.299 4.795 1.00 0.00 C ATOM 866 C MET A 59 -5.680 -3.451 4.542 1.00 0.00 C ATOM 867 O MET A 59 -4.914 -3.756 5.454 1.00 0.00 O ATOM 868 CB MET A 59 -7.468 -1.872 5.249 1.00 0.00 C ATOM 869 CG MET A 59 -8.913 -1.649 5.663 1.00 0.00 C ATOM 870 SD MET A 59 -9.232 0.042 6.196 1.00 0.00 S ATOM 871 CE MET A 59 -9.114 -0.141 7.972 1.00 0.00 C ATOM 0 H MET A 59 -6.950 -4.494 6.502 1.00 0.00 H new ATOM 0 HA MET A 59 -7.705 -3.511 3.866 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.816 -1.626 6.087 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.220 -1.184 4.440 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.568 -1.891 4.826 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.164 -2.334 6.473 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.288 0.823 8.449 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.862 -0.856 8.315 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.120 -0.502 8.235 1.00 0.00 H new ATOM 881 N LEU A 60 -5.272 -3.215 3.300 1.00 0.00 N ATOM 882 CA LEU A 60 -3.860 -3.305 2.932 1.00 0.00 C ATOM 883 C LEU A 60 -3.363 -1.980 2.365 1.00 0.00 C ATOM 884 O LEU A 60 -4.140 -1.199 1.816 1.00 0.00 O ATOM 885 CB LEU A 60 -3.626 -4.417 1.910 1.00 0.00 C ATOM 886 CG LEU A 60 -4.123 -5.807 2.315 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.633 -6.836 1.320 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.644 -6.173 3.706 1.00 0.00 C ATOM 0 H LEU A 60 -5.894 -2.961 2.533 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.301 -3.538 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.113 -4.135 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.557 -4.479 1.706 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.213 -5.792 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.989 -7.824 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.013 -6.592 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.543 -6.834 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.012 -7.165 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.554 -6.172 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.021 -5.445 4.424 1.00 0.00 H new ATOM 900 N ARG A 61 -2.067 -1.727 2.513 1.00 0.00 N ATOM 901 CA ARG A 61 -1.472 -0.489 2.024 1.00 0.00 C ATOM 902 C ARG A 61 -0.001 -0.671 1.664 1.00 0.00 C ATOM 903 O ARG A 61 0.720 -1.413 2.324 1.00 0.00 O ATOM 904 CB ARG A 61 -1.583 0.594 3.094 1.00 0.00 C ATOM 905 CG ARG A 61 -1.244 1.988 2.594 1.00 0.00 C ATOM 906 CD ARG A 61 -0.496 2.790 3.646 1.00 0.00 C ATOM 907 NE ARG A 61 -1.209 2.818 4.922 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.890 3.623 5.932 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.128 4.468 5.821 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.590 3.584 7.057 1.00 0.00 N ATOM 0 H ARG A 61 -1.410 -2.361 2.967 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.015 -0.198 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.598 0.597 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.919 0.344 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.637 1.914 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.161 2.510 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.495 2.360 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.351 3.810 3.289 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.998 2.183 5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.670 4.503 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.368 5.083 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.373 2.937 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.345 4.201 7.831 1.00 0.00 H new ATOM 924 N LEU A 62 0.442 0.035 0.631 1.00 0.00 N ATOM 925 CA LEU A 62 1.836 -0.018 0.205 1.00 0.00 C ATOM 926 C LEU A 62 2.450 1.377 0.278 1.00 0.00 C ATOM 927 O LEU A 62 1.998 2.296 -0.404 1.00 0.00 O ATOM 928 CB LEU A 62 1.946 -0.556 -1.219 1.00 0.00 C ATOM 929 CG LEU A 62 1.379 -1.958 -1.423 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.207 -1.912 -2.381 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.454 -2.913 -1.928 1.00 0.00 C ATOM 0 H LEU A 62 -0.145 0.653 0.071 1.00 0.00 H new ATOM 0 HA LEU A 62 2.377 -0.690 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.431 0.130 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.996 -0.559 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 62 1.028 -2.332 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.190 -2.918 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.572 -1.268 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.538 -1.517 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.024 -3.905 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.844 -2.552 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.264 -2.966 -1.201 1.00 0.00 H new ATOM 943 N ILE A 63 3.472 1.539 1.109 1.00 0.00 N ATOM 944 CA ILE A 63 4.125 2.834 1.261 1.00 0.00 C ATOM 945 C ILE A 63 5.039 3.128 0.079 1.00 0.00 C ATOM 946 O ILE A 63 5.494 2.213 -0.602 1.00 0.00 O ATOM 947 CB ILE A 63 4.952 2.905 2.559 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.127 2.411 3.747 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.441 4.326 2.798 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.902 3.250 4.024 1.00 0.00 C ATOM 0 H ILE A 63 3.865 0.795 1.685 1.00 0.00 H new ATOM 0 HA ILE A 63 3.332 3.581 1.305 1.00 0.00 H new ATOM 0 HB ILE A 63 5.821 2.255 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.818 1.382 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.757 2.399 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.024 4.360 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.065 4.642 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.585 4.995 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.366 2.840 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.204 4.274 4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.250 3.242 3.150 1.00 0.00 H new ATOM 962 N GLY A 64 5.304 4.408 -0.159 1.00 0.00 N ATOM 963 CA GLY A 64 6.165 4.794 -1.262 1.00 0.00 C ATOM 964 C GLY A 64 7.468 5.410 -0.794 1.00 0.00 C ATOM 965 O GLY A 64 7.493 6.159 0.183 1.00 0.00 O ATOM 0 H GLY A 64 4.938 5.185 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.380 3.918 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.638 5.506 -1.898 1.00 0.00 H new ATOM 991 N VAL A 66 10.126 7.926 -0.437 1.00 0.00 N ATOM 992 CA VAL A 66 10.231 9.368 -0.615 1.00 0.00 C ATOM 993 C VAL A 66 11.691 9.813 -0.641 1.00 0.00 C ATOM 994 O VAL A 66 12.581 9.082 -0.206 1.00 0.00 O ATOM 995 CB VAL A 66 9.489 10.123 0.506 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.104 9.814 1.860 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.486 11.622 0.242 1.00 0.00 C ATOM 0 HA VAL A 66 9.768 9.608 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 66 8.454 9.781 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.565 10.357 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.038 8.743 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.150 10.120 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.957 12.132 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.513 11.985 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.987 11.824 -0.706 1.00 0.00 H new ATOM 1007 N ASP A 67 11.925 11.017 -1.148 1.00 0.00 N ATOM 1008 CA ASP A 67 13.273 11.566 -1.228 1.00 0.00 C ATOM 1009 C ASP A 67 13.298 13.000 -0.711 1.00 0.00 C ATOM 1010 O ASP A 67 13.567 13.940 -1.459 1.00 0.00 O ATOM 1011 CB ASP A 67 13.781 11.516 -2.671 1.00 0.00 C ATOM 1012 CG ASP A 67 14.585 10.263 -2.958 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.324 9.812 -2.057 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.477 9.733 -4.084 1.00 0.00 O ATOM 0 H ASP A 67 11.197 11.633 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 67 13.930 10.961 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.933 11.564 -3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.398 12.393 -2.867 1.00 0.00 H new ATOM 1019 N GLU A 68 13.007 13.160 0.576 1.00 0.00 N ATOM 1020 CA GLU A 68 12.985 14.478 1.202 1.00 0.00 C ATOM 1021 C GLU A 68 14.376 15.113 1.224 1.00 0.00 C ATOM 1022 O GLU A 68 14.512 16.312 1.461 1.00 0.00 O ATOM 1023 CB GLU A 68 12.442 14.376 2.628 1.00 0.00 C ATOM 1024 CG GLU A 68 13.238 13.435 3.518 1.00 0.00 C ATOM 1025 CD GLU A 68 12.355 12.610 4.433 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.420 11.956 3.925 1.00 0.00 O ATOM 1027 OE2 GLU A 68 12.598 12.618 5.658 1.00 0.00 O ATOM 0 H GLU A 68 12.783 12.391 1.208 1.00 0.00 H new ATOM 0 HA GLU A 68 12.331 15.115 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.436 15.369 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.407 14.037 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.833 12.767 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.937 14.015 4.120 1.00 0.00 H new ATOM 1034 N SER A 69 15.405 14.306 0.979 1.00 0.00 N ATOM 1035 CA SER A 69 16.777 14.802 0.979 1.00 0.00 C ATOM 1036 C SER A 69 17.344 14.841 -0.437 1.00 0.00 C ATOM 1037 O SER A 69 18.533 14.599 -0.645 1.00 0.00 O ATOM 1038 CB SER A 69 17.659 13.925 1.868 1.00 0.00 C ATOM 1039 OG SER A 69 17.056 13.712 3.134 1.00 0.00 O ATOM 0 H SER A 69 15.315 13.310 0.779 1.00 0.00 H new ATOM 0 HA SER A 69 16.768 15.817 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.834 12.967 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.632 14.398 2.000 1.00 0.00 H new ATOM 0 HG SER A 69 17.639 13.147 3.683 1.00 0.00 H new ATOM 1045 N LYS A 70 16.488 15.148 -1.406 1.00 0.00 N ATOM 1046 CA LYS A 70 16.909 15.220 -2.800 1.00 0.00 C ATOM 1047 C LYS A 70 16.605 16.590 -3.397 1.00 0.00 C ATOM 1048 O LYS A 70 17.517 17.339 -3.749 1.00 0.00 O ATOM 1049 CB LYS A 70 16.215 14.131 -3.621 1.00 0.00 C ATOM 1050 CG LYS A 70 16.801 12.744 -3.407 1.00 0.00 C ATOM 1051 CD LYS A 70 18.167 12.610 -4.058 1.00 0.00 C ATOM 1052 CE LYS A 70 18.052 12.270 -5.535 1.00 0.00 C ATOM 1053 NZ LYS A 70 17.726 10.833 -5.749 1.00 0.00 N ATOM 0 H LYS A 70 15.500 15.351 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 70 17.987 15.063 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.156 14.113 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.282 14.386 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.885 12.544 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.125 11.995 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.720 13.542 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.739 11.834 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.280 12.889 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.990 12.508 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.723 10.626 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.439 10.241 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.788 10.627 -5.351 1.00 0.00 H new ATOM 1067 N LYS A 71 15.320 16.910 -3.516 1.00 0.00 N ATOM 1068 CA LYS A 71 14.899 18.189 -4.078 1.00 0.00 C ATOM 1069 C LYS A 71 15.278 18.272 -5.552 1.00 0.00 C ATOM 1070 O LYS A 71 16.413 18.602 -5.894 1.00 0.00 O ATOM 1071 CB LYS A 71 15.534 19.349 -3.307 1.00 0.00 C ATOM 1072 CG LYS A 71 15.484 19.178 -1.798 1.00 0.00 C ATOM 1073 CD LYS A 71 15.368 20.517 -1.089 1.00 0.00 C ATOM 1074 CE LYS A 71 15.087 20.339 0.395 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.738 21.629 1.052 1.00 0.00 N ATOM 0 H LYS A 71 14.553 16.302 -3.231 1.00 0.00 H new ATOM 0 HA LYS A 71 13.815 18.262 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.573 19.455 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.025 20.275 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.635 18.549 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.383 18.662 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.292 21.081 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.569 21.103 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.269 19.631 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.963 19.909 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.554 21.465 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.529 22.297 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.888 22.027 0.605 1.00 0.00 H new ATOM 1089 N ARG A 72 14.323 17.961 -6.421 1.00 0.00 N ATOM 1090 CA ARG A 72 14.560 17.993 -7.861 1.00 0.00 C ATOM 1091 C ARG A 72 13.733 19.087 -8.532 1.00 0.00 C ATOM 1092 O ARG A 72 12.535 19.213 -8.284 1.00 0.00 O ATOM 1093 CB ARG A 72 14.245 16.626 -8.479 1.00 0.00 C ATOM 1094 CG ARG A 72 12.762 16.377 -8.709 1.00 0.00 C ATOM 1095 CD ARG A 72 12.304 16.963 -10.034 1.00 0.00 C ATOM 1096 NE ARG A 72 12.014 15.928 -11.023 1.00 0.00 N ATOM 1097 CZ ARG A 72 11.030 15.041 -10.899 1.00 0.00 C ATOM 1098 NH1 ARG A 72 10.239 15.059 -9.833 1.00 0.00 N ATOM 1099 NH2 ARG A 72 10.836 14.131 -11.845 1.00 0.00 N ATOM 0 H ARG A 72 13.378 17.684 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 72 15.613 18.221 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.769 16.540 -9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.637 15.845 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.564 15.305 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.186 16.818 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.413 17.569 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.076 17.628 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 72 12.600 15.883 -11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.384 15.756 -9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.487 14.376 -9.745 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.441 14.112 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.082 13.450 -11.751 1.00 0.00 H new ATOM 1113 N LYS A 73 14.384 19.871 -9.384 1.00 0.00 N ATOM 1114 CA LYS A 73 13.711 20.954 -10.094 1.00 0.00 C ATOM 1115 C LYS A 73 12.984 20.426 -11.326 1.00 0.00 C ATOM 1116 O LYS A 73 13.292 19.343 -11.824 1.00 0.00 O ATOM 1117 CB LYS A 73 14.719 22.028 -10.502 1.00 0.00 C ATOM 1118 CG LYS A 73 15.416 22.689 -9.324 1.00 0.00 C ATOM 1119 CD LYS A 73 14.831 24.061 -9.028 1.00 0.00 C ATOM 1120 CE LYS A 73 15.856 24.975 -8.374 1.00 0.00 C ATOM 1121 NZ LYS A 73 16.619 25.763 -9.382 1.00 0.00 N ATOM 0 H LYS A 73 15.376 19.778 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 73 12.975 21.395 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.470 21.581 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.206 22.793 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.323 22.055 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.481 22.785 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.476 24.514 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.966 23.955 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.351 25.655 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.548 24.378 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.307 26.373 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.121 25.115 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.962 26.352 -9.932 1.00 0.00 H new ATOM 1135 N ASP A 74 12.018 21.198 -11.815 1.00 0.00 N ATOM 1136 CA ASP A 74 11.249 20.806 -12.991 1.00 0.00 C ATOM 1137 C ASP A 74 11.551 21.727 -14.171 1.00 0.00 C ATOM 1138 O ASP A 74 12.437 22.577 -14.096 1.00 0.00 O ATOM 1139 CB ASP A 74 9.750 20.826 -12.678 1.00 0.00 C ATOM 1140 CG ASP A 74 9.254 22.204 -12.284 1.00 0.00 C ATOM 1141 OD1 ASP A 74 10.001 23.185 -12.482 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.117 22.302 -11.778 1.00 0.00 O ATOM 0 H ASP A 74 11.750 22.097 -11.416 1.00 0.00 H new ATOM 0 HA ASP A 74 11.540 19.792 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.196 20.480 -13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.542 20.124 -11.870 1.00 0.00 H new ATOM 1147 N ASN A 75 10.808 21.549 -15.259 1.00 0.00 N ATOM 1148 CA ASN A 75 10.998 22.361 -16.456 1.00 0.00 C ATOM 1149 C ASN A 75 10.775 23.843 -16.163 1.00 0.00 C ATOM 1150 O ASN A 75 11.235 24.707 -16.909 1.00 0.00 O ATOM 1151 CB ASN A 75 10.050 21.901 -17.564 1.00 0.00 C ATOM 1152 CG ASN A 75 10.690 21.967 -18.938 1.00 0.00 C ATOM 1153 OD1 ASN A 75 11.281 20.994 -19.406 1.00 0.00 O ATOM 1154 ND2 ASN A 75 10.575 23.118 -19.590 1.00 0.00 N ATOM 0 H ASN A 75 10.069 20.850 -15.336 1.00 0.00 H new ATOM 0 HA ASN A 75 12.028 22.231 -16.787 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.731 20.878 -17.364 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.154 22.522 -17.553 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.986 23.222 -20.518 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.076 23.898 -19.163 1.00 0.00 H new ATOM 1161 N GLU A 76 10.068 24.131 -15.076 1.00 0.00 N ATOM 1162 CA GLU A 76 9.786 25.509 -14.692 1.00 0.00 C ATOM 1163 C GLU A 76 10.717 25.970 -13.572 1.00 0.00 C ATOM 1164 O GLU A 76 10.389 26.886 -12.819 1.00 0.00 O ATOM 1165 CB GLU A 76 8.328 25.650 -14.251 1.00 0.00 C ATOM 1166 CG GLU A 76 7.412 26.182 -15.340 1.00 0.00 C ATOM 1167 CD GLU A 76 6.062 26.620 -14.806 1.00 0.00 C ATOM 1168 OE1 GLU A 76 6.026 27.555 -13.979 1.00 0.00 O ATOM 1169 OE2 GLU A 76 5.041 26.026 -15.212 1.00 0.00 O ATOM 0 H GLU A 76 9.680 23.429 -14.446 1.00 0.00 H new ATOM 0 HA GLU A 76 9.959 26.142 -15.562 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.961 24.678 -13.922 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.280 26.317 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.894 27.026 -15.834 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.266 25.410 -16.096 1.00 0.00 H new ATOM 1176 N GLY A 77 11.878 25.331 -13.470 1.00 0.00 N ATOM 1177 CA GLY A 77 12.837 25.693 -12.441 1.00 0.00 C ATOM 1178 C GLY A 77 12.252 25.621 -11.043 1.00 0.00 C ATOM 1179 O GLY A 77 12.762 26.254 -10.118 1.00 0.00 O ATOM 0 H GLY A 77 12.172 24.569 -14.081 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.699 25.029 -12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.199 26.704 -12.627 1.00 0.00 H new ATOM 1183 N ASN A 78 11.181 24.849 -10.885 1.00 0.00 N ATOM 1184 CA ASN A 78 10.533 24.699 -9.587 1.00 0.00 C ATOM 1185 C ASN A 78 11.140 23.536 -8.811 1.00 0.00 C ATOM 1186 O ASN A 78 11.061 22.385 -9.240 1.00 0.00 O ATOM 1187 CB ASN A 78 9.026 24.478 -9.757 1.00 0.00 C ATOM 1188 CG ASN A 78 8.430 25.324 -10.863 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.705 24.823 -11.721 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.734 26.615 -10.847 1.00 0.00 N ATOM 0 H ASN A 78 10.744 24.318 -11.639 1.00 0.00 H new ATOM 0 HA ASN A 78 10.694 25.619 -9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.840 23.425 -9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.522 24.707 -8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.362 27.235 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.340 26.987 -10.116 1.00 0.00 H new ATOM 1197 N GLU A 79 11.746 23.842 -7.669 1.00 0.00 N ATOM 1198 CA GLU A 79 12.366 22.820 -6.833 1.00 0.00 C ATOM 1199 C GLU A 79 11.308 21.939 -6.181 1.00 0.00 C ATOM 1200 O GLU A 79 10.595 22.373 -5.276 1.00 0.00 O ATOM 1201 CB GLU A 79 13.239 23.471 -5.757 1.00 0.00 C ATOM 1202 CG GLU A 79 13.980 22.470 -4.889 1.00 0.00 C ATOM 1203 CD GLU A 79 14.984 23.132 -3.964 1.00 0.00 C ATOM 1204 OE1 GLU A 79 15.894 23.819 -4.471 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.858 22.962 -2.733 1.00 0.00 O ATOM 0 H GLU A 79 11.821 24.790 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 79 12.993 22.195 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.963 24.129 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.612 24.097 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.260 21.907 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.497 21.753 -5.527 1.00 0.00 H new ATOM 1212 N VAL A 80 11.205 20.700 -6.651 1.00 0.00 N ATOM 1213 CA VAL A 80 10.228 19.762 -6.117 1.00 0.00 C ATOM 1214 C VAL A 80 10.893 18.635 -5.345 1.00 0.00 C ATOM 1215 O VAL A 80 11.676 17.866 -5.901 1.00 0.00 O ATOM 1216 CB VAL A 80 9.374 19.151 -7.229 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.228 18.335 -6.643 1.00 0.00 C ATOM 1218 CG2 VAL A 80 8.859 20.235 -8.163 1.00 0.00 C ATOM 0 H VAL A 80 11.786 20.324 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 80 9.593 20.335 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 80 9.998 18.474 -7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.634 17.910 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.631 17.531 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.598 18.980 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.254 19.782 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.251 20.943 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.703 20.759 -8.613 1.00 0.00 H new ATOM 1228 N VAL A 81 10.559 18.531 -4.066 1.00 0.00 N ATOM 1229 CA VAL A 81 11.103 17.484 -3.221 1.00 0.00 C ATOM 1230 C VAL A 81 10.089 16.350 -3.082 1.00 0.00 C ATOM 1231 O VAL A 81 9.128 16.456 -2.319 1.00 0.00 O ATOM 1232 CB VAL A 81 11.482 18.026 -1.829 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.253 18.514 -1.077 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.225 16.967 -1.031 1.00 0.00 C ATOM 0 H VAL A 81 9.912 19.162 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 81 12.010 17.106 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 81 12.145 18.880 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.551 18.891 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.774 19.313 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.553 17.689 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.485 17.366 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.589 16.090 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.135 16.684 -1.561 1.00 0.00 H new ATOM 1244 N PRO A 82 10.274 15.251 -3.840 1.00 0.00 N ATOM 1245 CA PRO A 82 9.361 14.108 -3.816 1.00 0.00 C ATOM 1246 C PRO A 82 8.837 13.788 -2.417 1.00 0.00 C ATOM 1247 O PRO A 82 9.556 13.918 -1.427 1.00 0.00 O ATOM 1248 CB PRO A 82 10.234 12.973 -4.337 1.00 0.00 C ATOM 1249 CG PRO A 82 11.173 13.630 -5.292 1.00 0.00 C ATOM 1250 CD PRO A 82 11.378 15.042 -4.797 1.00 0.00 C ATOM 0 HA PRO A 82 8.461 14.290 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.772 12.482 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.636 12.208 -4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.121 13.093 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.762 13.630 -6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.349 15.159 -4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.338 15.761 -5.615 1.00 0.00 H new ATOM 1258 N LYS A 83 7.576 13.370 -2.350 1.00 0.00 N ATOM 1259 CA LYS A 83 6.945 13.032 -1.079 1.00 0.00 C ATOM 1260 C LYS A 83 6.663 11.538 -0.990 1.00 0.00 C ATOM 1261 O LYS A 83 6.741 10.815 -1.984 1.00 0.00 O ATOM 1262 CB LYS A 83 5.645 13.822 -0.908 1.00 0.00 C ATOM 1263 CG LYS A 83 4.577 13.466 -1.929 1.00 0.00 C ATOM 1264 CD LYS A 83 3.658 14.644 -2.208 1.00 0.00 C ATOM 1265 CE LYS A 83 2.217 14.196 -2.391 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.294 15.352 -2.571 1.00 0.00 N ATOM 0 H LYS A 83 6.970 13.257 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 83 7.633 13.299 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.252 13.646 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.865 14.887 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.051 13.146 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.990 12.624 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.717 15.356 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.995 15.165 -3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.149 13.539 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.905 13.614 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.321 15.004 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.340 15.966 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.576 15.893 -3.413 1.00 0.00 H new ATOM 1280 N PRO A 84 6.350 11.058 0.220 1.00 0.00 N ATOM 1281 CA PRO A 84 6.071 9.647 0.484 1.00 0.00 C ATOM 1282 C PRO A 84 4.650 9.257 0.093 1.00 0.00 C ATOM 1283 O PRO A 84 3.718 9.384 0.889 1.00 0.00 O ATOM 1284 CB PRO A 84 6.272 9.529 2.008 1.00 0.00 C ATOM 1285 CG PRO A 84 6.785 10.868 2.448 1.00 0.00 C ATOM 1286 CD PRO A 84 6.260 11.842 1.450 1.00 0.00 C ATOM 0 HA PRO A 84 6.713 8.983 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.336 9.283 2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.981 8.738 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.439 11.110 3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.875 10.882 2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.237 12.147 1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.861 12.750 1.405 1.00 0.00 H new ATOM 1311 N ARG A 86 1.813 6.823 -0.379 1.00 0.00 N ATOM 1312 CA ARG A 86 1.385 5.517 0.109 1.00 0.00 C ATOM 1313 C ARG A 86 0.059 5.110 -0.523 1.00 0.00 C ATOM 1314 O ARG A 86 -0.873 5.911 -0.599 1.00 0.00 O ATOM 1315 CB ARG A 86 1.248 5.541 1.632 1.00 0.00 C ATOM 1316 CG ARG A 86 2.438 6.172 2.339 1.00 0.00 C ATOM 1317 CD ARG A 86 2.101 7.550 2.886 1.00 0.00 C ATOM 1318 NE ARG A 86 0.862 7.545 3.658 1.00 0.00 N ATOM 1319 CZ ARG A 86 0.781 7.158 4.930 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.863 6.738 5.574 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -0.386 7.189 5.559 1.00 0.00 N ATOM 0 HA ARG A 86 2.142 4.785 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.345 6.089 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.120 4.521 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.761 5.526 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.274 6.251 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.919 7.900 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.010 8.256 2.060 1.00 0.00 H new ATOM 0 HE ARG A 86 0.008 7.856 3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.763 6.710 5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.794 6.443 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.221 7.509 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.448 6.893 6.533 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.023 3.863 -0.977 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.242 3.361 -1.599 1.00 0.00 C ATOM 1337 C HIS A 87 -2.033 2.514 -0.609 1.00 0.00 C ATOM 1338 O HIS A 87 -1.603 1.428 -0.228 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.905 2.536 -2.845 1.00 0.00 C ATOM 1340 CG HIS A 87 0.318 3.011 -3.567 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.270 3.869 -4.646 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.630 2.752 -3.354 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.499 4.115 -5.067 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.342 3.449 -4.299 1.00 0.00 N ATOM 0 H HIS A 87 0.737 3.185 -0.926 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.853 4.213 -1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.763 1.495 -2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.754 2.563 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.040 2.115 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.768 4.752 -5.897 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.358 3.452 -4.393 1.00 0.00 H new ATOM 1353 N MET A 88 -3.188 3.023 -0.192 1.00 0.00 N ATOM 1354 CA MET A 88 -4.033 2.314 0.761 1.00 0.00 C ATOM 1355 C MET A 88 -5.243 1.697 0.071 1.00 0.00 C ATOM 1356 O MET A 88 -5.855 2.313 -0.800 1.00 0.00 O ATOM 1357 CB MET A 88 -4.495 3.265 1.868 1.00 0.00 C ATOM 1358 CG MET A 88 -5.126 2.555 3.054 1.00 0.00 C ATOM 1359 SD MET A 88 -6.559 3.432 3.708 1.00 0.00 S ATOM 1360 CE MET A 88 -6.485 2.963 5.435 1.00 0.00 C ATOM 0 H MET A 88 -3.559 3.922 -0.499 1.00 0.00 H new ATOM 0 HA MET A 88 -3.442 1.510 1.200 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.641 3.847 2.215 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.214 3.971 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.426 1.551 2.754 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.382 2.443 3.843 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.310 3.429 5.974 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.561 1.879 5.521 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.539 3.295 5.862 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.581 0.477 0.470 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.721 -0.224 -0.109 1.00 0.00 C ATOM 1372 C PHE A 89 -7.499 -0.982 0.964 1.00 0.00 C ATOM 1373 O PHE A 89 -6.954 -1.854 1.642 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.261 -1.185 -1.207 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.035 -0.724 -1.938 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.784 -0.835 -1.356 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.136 -0.180 -3.208 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.654 -0.412 -2.025 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.006 0.245 -3.883 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.764 0.128 -3.291 1.00 0.00 C ATOM 0 H PHE A 89 -5.084 -0.047 1.190 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.383 0.520 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.063 -2.161 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.072 -1.319 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.691 -1.258 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.105 -0.087 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.684 -0.503 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.095 0.668 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.880 0.458 -3.817 1.00 0.00 H new ATOM 1390 N SER A 90 -8.775 -0.638 1.114 1.00 0.00 N ATOM 1391 CA SER A 90 -9.636 -1.277 2.106 1.00 0.00 C ATOM 1392 C SER A 90 -10.313 -2.517 1.534 1.00 0.00 C ATOM 1393 O SER A 90 -11.132 -2.422 0.622 1.00 0.00 O ATOM 1394 CB SER A 90 -10.705 -0.295 2.586 1.00 0.00 C ATOM 1395 OG SER A 90 -10.198 1.028 2.635 1.00 0.00 O ATOM 0 H SER A 90 -9.237 0.082 0.559 1.00 0.00 H new ATOM 0 HA SER A 90 -9.009 -1.579 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.565 -0.334 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.056 -0.590 3.575 1.00 0.00 H new ATOM 0 HG SER A 90 -10.901 1.637 2.943 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.973 -3.678 2.078 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.563 -4.930 1.617 1.00 0.00 C ATOM 1403 C PHE A 91 -11.755 -5.325 2.480 1.00 0.00 C ATOM 1404 O PHE A 91 -11.688 -5.282 3.708 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.516 -6.042 1.626 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.357 -5.763 0.718 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.497 -4.710 0.980 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.133 -6.545 -0.401 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.434 -4.444 0.144 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.070 -6.285 -1.242 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.217 -5.232 -0.970 1.00 0.00 C ATOM 0 H PHE A 91 -9.296 -3.780 2.834 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.916 -4.782 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.149 -6.179 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.987 -6.979 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.661 -4.090 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.797 -7.368 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.771 -3.620 0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.905 -6.904 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.384 -5.026 -1.626 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.849 -5.711 1.830 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.059 -6.119 2.538 1.00 0.00 C ATOM 1423 C ASN A 92 -14.070 -7.628 2.762 1.00 0.00 C ATOM 1424 O ASN A 92 -15.089 -8.290 2.567 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.300 -5.696 1.750 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.756 -4.293 2.098 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.130 -3.606 2.905 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.854 -3.858 1.488 1.00 0.00 N ATOM 0 H ASN A 92 -12.923 -5.750 0.813 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.071 -5.626 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.085 -5.751 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.110 -6.398 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.208 -2.921 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.342 -4.461 0.826 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.925 -8.163 3.170 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.784 -9.593 3.421 1.00 0.00 C ATOM 1437 C ASN A 93 -11.337 -9.931 3.750 1.00 0.00 C ATOM 1438 O ASN A 93 -10.451 -9.800 2.906 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.246 -10.400 2.204 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.440 -11.279 2.507 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.130 -11.091 3.509 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.691 -12.250 1.636 1.00 0.00 N ATOM 0 H ASN A 93 -12.075 -7.624 3.335 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.411 -9.856 4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.499 -9.716 1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.423 -11.021 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.482 -12.876 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.092 -12.369 0.819 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.103 -10.372 4.981 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.761 -10.735 5.416 1.00 0.00 C ATOM 1451 C ARG A 94 -9.170 -11.814 4.516 1.00 0.00 C ATOM 1452 O ARG A 94 -7.961 -12.032 4.508 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.780 -11.215 6.867 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.403 -11.263 7.511 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.388 -10.554 8.856 1.00 0.00 C ATOM 1456 NE ARG A 94 -7.087 -9.957 9.146 1.00 0.00 N ATOM 1457 CZ ARG A 94 -5.988 -10.664 9.403 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -6.029 -11.990 9.408 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -4.844 -10.042 9.656 1.00 0.00 N ATOM 0 H ARG A 94 -11.824 -10.486 5.693 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.133 -9.847 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.422 -10.555 7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.225 -12.209 6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.099 -12.301 7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.674 -10.799 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.153 -9.778 8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.645 -11.264 9.643 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.016 -8.939 9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.906 -12.474 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.184 -12.526 9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.806 -9.023 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.002 -10.583 9.853 1.00 0.00 H new ATOM 1473 N THR A 95 -10.025 -12.485 3.750 1.00 0.00 N ATOM 1474 CA THR A 95 -9.573 -13.527 2.845 1.00 0.00 C ATOM 1475 C THR A 95 -8.850 -12.905 1.658 1.00 0.00 C ATOM 1476 O THR A 95 -7.797 -13.380 1.233 1.00 0.00 O ATOM 1477 CB THR A 95 -10.763 -14.366 2.386 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.837 -15.575 3.120 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.737 -14.723 0.917 1.00 0.00 C ATOM 0 H THR A 95 -11.032 -12.323 3.741 1.00 0.00 H new ATOM 0 HA THR A 95 -8.873 -14.182 3.364 1.00 0.00 H new ATOM 0 HB THR A 95 -11.633 -13.734 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.607 -16.098 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.616 -15.319 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.739 -13.811 0.321 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.837 -15.297 0.698 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.418 -11.823 1.147 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.825 -11.110 0.025 1.00 0.00 C ATOM 1489 C VAL A 96 -7.508 -10.505 0.458 1.00 0.00 C ATOM 1490 O VAL A 96 -6.464 -10.737 -0.152 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.735 -9.974 -0.493 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.571 -9.793 -1.993 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.188 -10.223 -0.127 1.00 0.00 C ATOM 0 H VAL A 96 -10.289 -11.419 1.491 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.685 -11.831 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.427 -9.049 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.221 -8.988 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.534 -9.543 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.840 -10.718 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.803 -9.407 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.519 -11.162 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.286 -10.279 0.957 1.00 0.00 H new ATOM 1503 N MET A 97 -7.571 -9.733 1.534 1.00 0.00 N ATOM 1504 CA MET A 97 -6.387 -9.092 2.079 1.00 0.00 C ATOM 1505 C MET A 97 -5.346 -10.138 2.468 1.00 0.00 C ATOM 1506 O MET A 97 -4.145 -9.921 2.310 1.00 0.00 O ATOM 1507 CB MET A 97 -6.762 -8.227 3.285 1.00 0.00 C ATOM 1508 CG MET A 97 -6.933 -8.999 4.582 1.00 0.00 C ATOM 1509 SD MET A 97 -5.443 -8.996 5.592 1.00 0.00 S ATOM 1510 CE MET A 97 -5.952 -7.900 6.911 1.00 0.00 C ATOM 0 H MET A 97 -8.431 -9.537 2.046 1.00 0.00 H new ATOM 0 HA MET A 97 -5.954 -8.448 1.314 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.992 -7.469 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.691 -7.701 3.065 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.755 -8.566 5.152 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.211 -10.028 4.354 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.315 -8.058 7.782 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.863 -6.866 6.579 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.989 -8.108 7.177 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.817 -11.279 2.966 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.920 -12.359 3.361 1.00 0.00 C ATOM 1522 C ASP A 98 -4.225 -12.946 2.140 1.00 0.00 C ATOM 1523 O ASP A 98 -3.082 -13.396 2.215 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.687 -13.454 4.110 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.810 -14.637 4.474 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.829 -14.441 5.224 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.102 -15.758 4.008 1.00 0.00 O ATOM 0 H ASP A 98 -6.808 -11.478 3.104 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.165 -11.947 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.118 -13.033 5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.517 -13.798 3.493 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.923 -12.925 1.013 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.378 -13.443 -0.236 1.00 0.00 C ATOM 1534 C ASN A 99 -3.480 -12.401 -0.895 1.00 0.00 C ATOM 1535 O ASN A 99 -2.524 -12.740 -1.593 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.508 -13.838 -1.188 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.328 -15.000 -0.661 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.794 -15.923 -0.047 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.633 -14.959 -0.901 1.00 0.00 N ATOM 0 H ASN A 99 -5.870 -12.554 0.937 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.783 -14.329 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.160 -12.980 -1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.086 -14.104 -2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.236 -15.713 -0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.033 -14.173 -1.414 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.797 -11.131 -0.662 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.027 -10.028 -1.222 1.00 0.00 C ATOM 1548 C ILE A 100 -1.807 -9.730 -0.364 1.00 0.00 C ATOM 1549 O ILE A 100 -0.669 -9.811 -0.828 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.889 -8.756 -1.326 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.057 -8.993 -2.285 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.046 -7.563 -1.766 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.718 -8.735 -3.735 1.00 0.00 C ATOM 0 H ILE A 100 -4.587 -10.840 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.703 -10.328 -2.219 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.294 -8.525 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.399 -10.023 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.888 -8.350 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.677 -6.676 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.253 -7.390 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.606 -7.769 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.596 -8.924 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.405 -7.698 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.908 -9.396 -4.043 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.057 -9.385 0.895 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.989 -9.074 1.834 1.00 0.00 C ATOM 1567 C LYS A 101 0.102 -10.138 1.779 1.00 0.00 C ATOM 1568 O LYS A 101 1.291 -9.838 1.880 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.549 -8.999 3.252 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.498 -8.713 4.309 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.136 -8.415 5.653 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.273 -9.668 6.499 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.005 -10.426 6.584 1.00 0.00 N ATOM 0 H LYS A 101 -2.995 -9.314 1.288 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.559 -8.111 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.312 -8.221 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.042 -9.942 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.169 -9.570 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.113 -7.866 3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.534 -7.680 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.119 -7.971 5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.599 -9.394 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.047 -10.308 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.007 -11.008 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.100 -11.041 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.803 -9.759 6.615 1.00 0.00 H new ATOM 1587 N MET A 102 -0.326 -11.384 1.625 1.00 0.00 N ATOM 1588 CA MET A 102 0.590 -12.511 1.563 1.00 0.00 C ATOM 1589 C MET A 102 1.212 -12.641 0.179 1.00 0.00 C ATOM 1590 O MET A 102 2.308 -13.183 0.037 1.00 0.00 O ATOM 1591 CB MET A 102 -0.138 -13.806 1.929 1.00 0.00 C ATOM 1592 CG MET A 102 -0.477 -13.917 3.407 1.00 0.00 C ATOM 1593 SD MET A 102 -0.870 -15.604 3.905 1.00 0.00 S ATOM 1594 CE MET A 102 -2.114 -16.035 2.691 1.00 0.00 C ATOM 0 H MET A 102 -1.310 -11.639 1.540 1.00 0.00 H new ATOM 0 HA MET A 102 1.390 -12.332 2.282 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.058 -13.873 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.482 -14.655 1.642 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.365 -13.555 3.997 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.325 -13.269 3.631 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.496 -17.034 2.900 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.933 -15.317 2.738 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.672 -16.016 1.695 1.00 0.00 H new ATOM 1604 N THR A 103 0.520 -12.144 -0.844 1.00 0.00 N ATOM 1605 CA THR A 103 1.034 -12.222 -2.195 1.00 0.00 C ATOM 1606 C THR A 103 2.050 -11.110 -2.435 1.00 0.00 C ATOM 1607 O THR A 103 3.088 -11.330 -3.056 1.00 0.00 O ATOM 1608 CB THR A 103 -0.119 -12.149 -3.200 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.533 -13.450 -3.578 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.222 -11.395 -4.462 1.00 0.00 C ATOM 0 H THR A 103 -0.389 -11.689 -0.758 1.00 0.00 H new ATOM 0 HA THR A 103 1.542 -13.177 -2.332 1.00 0.00 H new ATOM 0 HB THR A 103 -0.913 -11.610 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.324 -13.706 -3.058 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.643 -11.385 -5.125 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.498 -10.371 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.058 -11.883 -4.963 1.00 0.00 H new ATOM 1618 N LEU A 104 1.750 -9.919 -1.926 1.00 0.00 N ATOM 1619 CA LEU A 104 2.650 -8.785 -2.077 1.00 0.00 C ATOM 1620 C LEU A 104 4.015 -9.121 -1.488 1.00 0.00 C ATOM 1621 O LEU A 104 5.042 -8.984 -2.152 1.00 0.00 O ATOM 1622 CB LEU A 104 2.084 -7.543 -1.380 1.00 0.00 C ATOM 1623 CG LEU A 104 0.709 -7.082 -1.869 1.00 0.00 C ATOM 1624 CD1 LEU A 104 0.003 -6.281 -0.785 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.839 -6.252 -3.137 1.00 0.00 C ATOM 0 H LEU A 104 0.895 -9.716 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 104 2.754 -8.572 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.021 -7.745 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.790 -6.722 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 104 0.113 -7.966 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.974 -5.960 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.125 -6.902 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.601 -5.406 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.150 -5.935 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.453 -5.374 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.307 -6.851 -3.918 1.00 0.00 H new ATOM 1637 N GLN A 105 4.010 -9.566 -0.234 1.00 0.00 N ATOM 1638 CA GLN A 105 5.240 -9.927 0.459 1.00 0.00 C ATOM 1639 C GLN A 105 5.971 -11.059 -0.256 1.00 0.00 C ATOM 1640 O GLN A 105 7.191 -11.015 -0.415 1.00 0.00 O ATOM 1641 CB GLN A 105 4.939 -10.346 1.898 1.00 0.00 C ATOM 1642 CG GLN A 105 4.296 -9.252 2.730 1.00 0.00 C ATOM 1643 CD GLN A 105 5.202 -8.050 2.918 1.00 0.00 C ATOM 1644 OE1 GLN A 105 5.711 -7.811 4.011 1.00 0.00 O ATOM 1645 NE2 GLN A 105 5.403 -7.284 1.850 1.00 0.00 N ATOM 0 H GLN A 105 3.164 -9.685 0.323 1.00 0.00 H new ATOM 0 HA GLN A 105 5.883 -9.047 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.280 -11.214 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.867 -10.658 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.371 -8.933 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.026 -9.655 3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.960 -7.520 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.000 -6.460 1.919 1.00 0.00 H new ATOM 1654 N GLN A 106 5.221 -12.075 -0.686 1.00 0.00 N ATOM 1655 CA GLN A 106 5.811 -13.217 -1.382 1.00 0.00 C ATOM 1656 C GLN A 106 6.768 -12.744 -2.467 1.00 0.00 C ATOM 1657 O GLN A 106 7.812 -13.350 -2.705 1.00 0.00 O ATOM 1658 CB GLN A 106 4.715 -14.094 -1.994 1.00 0.00 C ATOM 1659 CG GLN A 106 4.292 -15.249 -1.101 1.00 0.00 C ATOM 1660 CD GLN A 106 3.368 -16.222 -1.807 1.00 0.00 C ATOM 1661 OE1 GLN A 106 3.695 -16.741 -2.874 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.210 -16.477 -1.211 1.00 0.00 N ATOM 0 H GLN A 106 4.210 -12.130 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 106 6.370 -13.809 -0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.844 -13.475 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.068 -14.491 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.179 -15.781 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.792 -14.855 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.981 -16.023 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.549 -17.127 -1.637 1.00 0.00 H new ATOM 1671 N ILE A 107 6.402 -11.643 -3.108 1.00 0.00 N ATOM 1672 CA ILE A 107 7.215 -11.053 -4.159 1.00 0.00 C ATOM 1673 C ILE A 107 8.262 -10.121 -3.564 1.00 0.00 C ATOM 1674 O ILE A 107 9.451 -10.233 -3.857 1.00 0.00 O ATOM 1675 CB ILE A 107 6.346 -10.271 -5.153 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.100 -11.077 -5.529 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.157 -9.930 -6.384 1.00 0.00 C ATOM 1678 CD1 ILE A 107 4.031 -10.252 -6.212 1.00 0.00 C ATOM 0 H ILE A 107 5.538 -11.137 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 107 7.712 -11.866 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 107 6.016 -9.344 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.391 -11.896 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.681 -11.525 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.536 -9.375 -7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.014 -9.321 -6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.506 -10.849 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.178 -10.887 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.712 -9.449 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.433 -9.825 -7.131 1.00 0.00 H new ATOM 1690 N ILE A 108 7.802 -9.206 -2.721 1.00 0.00 N ATOM 1691 CA ILE A 108 8.682 -8.242 -2.059 1.00 0.00 C ATOM 1692 C ILE A 108 9.960 -8.893 -1.573 1.00 0.00 C ATOM 1693 O ILE A 108 11.057 -8.521 -1.984 1.00 0.00 O ATOM 1694 CB ILE A 108 7.992 -7.582 -0.851 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.644 -6.982 -1.271 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.909 -6.532 -0.229 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.489 -5.507 -0.961 1.00 0.00 C ATOM 0 H ILE A 108 6.817 -9.108 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 108 8.918 -7.486 -2.808 1.00 0.00 H new ATOM 0 HB ILE A 108 7.794 -8.340 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.513 -7.131 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.845 -7.531 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.410 -6.072 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.832 -7.006 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.140 -5.766 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.508 -5.167 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.585 -5.349 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.263 -4.943 -1.481 1.00 0.00 H new ATOM 1709 N SER A 109 9.805 -9.863 -0.694 1.00 0.00 N ATOM 1710 CA SER A 109 10.944 -10.584 -0.135 1.00 0.00 C ATOM 1711 C SER A 109 11.922 -11.006 -1.228 1.00 0.00 C ATOM 1712 O SER A 109 13.114 -11.176 -0.978 1.00 0.00 O ATOM 1713 CB SER A 109 10.467 -11.805 0.648 1.00 0.00 C ATOM 1714 OG SER A 109 11.520 -12.732 0.846 1.00 0.00 O ATOM 0 H SER A 109 8.898 -10.175 -0.346 1.00 0.00 H new ATOM 0 HA SER A 109 11.467 -9.910 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.071 -11.489 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.650 -12.288 0.111 1.00 0.00 H new ATOM 0 HG SER A 109 11.187 -13.503 1.351 1.00 0.00 H new ATOM 1720 N ARG A 110 11.408 -11.163 -2.442 1.00 0.00 N ATOM 1721 CA ARG A 110 12.235 -11.553 -3.576 1.00 0.00 C ATOM 1722 C ARG A 110 13.136 -10.404 -4.014 1.00 0.00 C ATOM 1723 O ARG A 110 14.192 -10.626 -4.600 1.00 0.00 O ATOM 1724 CB ARG A 110 11.366 -12.014 -4.748 1.00 0.00 C ATOM 1725 CG ARG A 110 10.267 -12.983 -4.346 1.00 0.00 C ATOM 1726 CD ARG A 110 9.640 -13.648 -5.561 1.00 0.00 C ATOM 1727 NE ARG A 110 9.241 -15.027 -5.286 1.00 0.00 N ATOM 1728 CZ ARG A 110 8.670 -15.827 -6.183 1.00 0.00 C ATOM 1729 NH1 ARG A 110 8.430 -15.390 -7.413 1.00 0.00 N ATOM 1730 NH2 ARG A 110 8.338 -17.067 -5.850 1.00 0.00 N ATOM 0 H ARG A 110 10.422 -11.026 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 110 12.864 -12.385 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.915 -11.141 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.001 -12.488 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.677 -13.745 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.499 -12.451 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.769 -13.075 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.350 -13.634 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 110 9.410 -15.398 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.683 -14.437 -7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.992 -16.007 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.520 -17.408 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.900 -17.680 -6.538 1.00 0.00 H new ATOM 1744 N TYR A 111 12.717 -9.177 -3.721 1.00 0.00 N ATOM 1745 CA TYR A 111 13.498 -8.000 -4.084 1.00 0.00 C ATOM 1746 C TYR A 111 14.682 -7.870 -3.142 1.00 0.00 C ATOM 1747 O TYR A 111 15.778 -7.488 -3.548 1.00 0.00 O ATOM 1748 CB TYR A 111 12.664 -6.714 -4.020 1.00 0.00 C ATOM 1749 CG TYR A 111 11.205 -6.851 -4.417 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.734 -7.953 -5.126 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.294 -5.856 -4.078 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.407 -8.055 -5.478 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.963 -5.952 -4.432 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.524 -7.053 -5.131 1.00 0.00 C ATOM 1755 OH TYR A 111 7.198 -7.151 -5.482 1.00 0.00 O ATOM 0 H TYR A 111 11.844 -8.972 -3.235 1.00 0.00 H new ATOM 0 HA TYR A 111 13.836 -8.132 -5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.709 -6.325 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.128 -5.970 -4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.420 -8.739 -5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.634 -4.992 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.058 -8.918 -6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.271 -5.168 -4.162 1.00 0.00 H new ATOM 0 HH TYR A 111 6.661 -7.336 -4.683 1.00 0.00 H new ATOM 1765 N LYS A 112 14.448 -8.215 -1.882 1.00 0.00 N ATOM 1766 CA LYS A 112 15.492 -8.163 -0.873 1.00 0.00 C ATOM 1767 C LYS A 112 16.317 -9.416 -0.996 1.00 0.00 C ATOM 1768 O LYS A 112 17.548 -9.391 -0.965 1.00 0.00 O ATOM 1769 CB LYS A 112 14.930 -8.047 0.550 1.00 0.00 C ATOM 1770 CG LYS A 112 13.449 -8.318 0.639 1.00 0.00 C ATOM 1771 CD LYS A 112 12.672 -7.224 -0.053 1.00 0.00 C ATOM 1772 CE LYS A 112 12.642 -5.958 0.768 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.359 -5.796 1.502 1.00 0.00 N ATOM 0 H LYS A 112 13.543 -8.534 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 112 16.096 -7.272 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.458 -8.746 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.131 -7.045 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.221 -9.281 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.147 -8.382 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.121 -7.017 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.653 -7.562 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.467 -5.969 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.796 -5.099 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.545 -5.392 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.733 -5.159 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.900 -6.723 1.608 1.00 0.00 H new ATOM 1787 N ASP A 113 15.603 -10.515 -1.176 1.00 0.00 N ATOM 1788 CA ASP A 113 16.230 -11.810 -1.358 1.00 0.00 C ATOM 1789 C ASP A 113 17.089 -11.771 -2.610 1.00 0.00 C ATOM 1790 O ASP A 113 18.116 -12.445 -2.700 1.00 0.00 O ATOM 1791 CB ASP A 113 15.176 -12.913 -1.468 1.00 0.00 C ATOM 1792 CG ASP A 113 15.793 -14.297 -1.541 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.317 -14.768 -0.509 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.753 -14.908 -2.629 1.00 0.00 O ATOM 0 H ASP A 113 14.583 -10.534 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 113 16.854 -12.032 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.508 -12.861 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.567 -12.742 -2.356 1.00 0.00 H new ATOM 1799 N ALA A 114 16.665 -10.949 -3.567 1.00 0.00 N ATOM 1800 CA ALA A 114 17.397 -10.787 -4.808 1.00 0.00 C ATOM 1801 C ALA A 114 18.390 -9.635 -4.697 1.00 0.00 C ATOM 1802 O ALA A 114 19.355 -9.560 -5.459 1.00 0.00 O ATOM 1803 CB ALA A 114 16.446 -10.559 -5.972 1.00 0.00 C ATOM 0 H ALA A 114 15.817 -10.387 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 114 17.952 -11.706 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 114 17.019 -10.440 -6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.777 -11.414 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.859 -9.658 -5.791 1.00 0.00 H new