USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 811 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 115 GLN : amide:sc= 0.0362 X(o=0.069,f=-0.1) USER MOD Set 1.2: A 117 LYS NZ :NH3+ -174:sc= 0.0325 (180deg=0) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.0105 X(o=-0.02,f=0) USER MOD Set 2.2: A 30 GLN : amide:sc=-0.00915 X(o=-0.02,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 150:sc= 0.16 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.6 F(o=-3.4!,f=-1.6) USER MOD Single : A 48 GLN : amide:sc=-0.00448 K(o=-0.0045,f=-2.4!) USER MOD Single : A 49 SER OG : rot 76:sc= 0.111 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0794 X(o=-0.079,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 62 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 127:sc= 0.675 USER MOD Single : A 74 LYS NZ :NH3+ -112:sc= -1.65 (180deg=-4.06!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.4 USER MOD Single : A 79 THR OG1 : rot -110:sc= -0.518 USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= -1.2 (180deg=-4.33!) USER MOD Single : A 83 THR OG1 : rot 140:sc= -0.636 USER MOD Single : A 89 THR OG1 : rot 80:sc= 1.11 USER MOD Single : A 91 GLN : amide:sc=-0.00119 K(o=-0.0012,f=-1.8) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -139:sc= 1.01 (180deg=0.141) USER MOD Single : A 106 GLN : amide:sc= -0.289 K(o=-0.29,f=-3!) USER MOD Single : A 110 THR OG1 : rot 47:sc= 0.0485 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 23.546 20.147 -7.364 1.00 0.00 N ATOM 2 CA GLY A 26 24.390 20.114 -6.134 1.00 0.00 C ATOM 3 C GLY A 26 24.653 18.660 -5.731 1.00 0.00 C ATOM 4 O GLY A 26 25.576 18.033 -6.215 1.00 0.00 O ATOM 0 HA2 GLY A 26 25.334 20.628 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.889 20.642 -5.323 1.00 0.00 H new ATOM 10 N SER A 27 23.846 18.122 -4.849 1.00 0.00 N ATOM 11 CA SER A 27 24.043 16.705 -4.410 1.00 0.00 C ATOM 12 C SER A 27 22.852 15.841 -4.839 1.00 0.00 C ATOM 13 O SER A 27 21.839 16.344 -5.292 1.00 0.00 O ATOM 14 CB SER A 27 24.133 16.773 -2.884 1.00 0.00 C ATOM 15 OG SER A 27 25.363 17.384 -2.515 1.00 0.00 O ATOM 0 H SER A 27 23.059 18.603 -4.414 1.00 0.00 H new ATOM 0 HA SER A 27 24.932 16.258 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 27 23.295 17.344 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.069 15.771 -2.459 1.00 0.00 H new ATOM 0 HG SER A 27 25.425 17.431 -1.538 1.00 0.00 H new ATOM 21 N HIS A 28 22.964 14.544 -4.696 1.00 0.00 N ATOM 22 CA HIS A 28 21.838 13.643 -5.092 1.00 0.00 C ATOM 23 C HIS A 28 20.776 13.608 -3.986 1.00 0.00 C ATOM 24 O HIS A 28 21.092 13.602 -2.810 1.00 0.00 O ATOM 25 CB HIS A 28 22.469 12.259 -5.278 1.00 0.00 C ATOM 26 CG HIS A 28 22.199 11.766 -6.674 1.00 0.00 C ATOM 27 ND1 HIS A 28 21.170 10.882 -6.961 1.00 0.00 N ATOM 28 CD2 HIS A 28 22.817 12.026 -7.873 1.00 0.00 C ATOM 29 CE1 HIS A 28 21.200 10.643 -8.286 1.00 0.00 C ATOM 30 NE2 HIS A 28 22.183 11.316 -8.888 1.00 0.00 N ATOM 0 H HIS A 28 23.786 14.070 -4.322 1.00 0.00 H new ATOM 0 HA HIS A 28 21.342 13.983 -6.001 1.00 0.00 H new ATOM 0 HB2 HIS A 28 23.543 12.311 -5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 28 22.059 11.560 -4.549 1.00 0.00 H new ATOM 0 HD2 HIS A 28 23.665 12.681 -8.007 1.00 0.00 H new ATOM 0 HE1 HIS A 28 20.512 9.987 -8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 28 22.419 11.311 -9.880 1.00 0.00 H new ATOM 38 N MET A 29 19.519 13.585 -4.357 1.00 0.00 N ATOM 39 CA MET A 29 18.429 13.551 -3.331 1.00 0.00 C ATOM 40 C MET A 29 17.306 12.593 -3.764 1.00 0.00 C ATOM 41 O MET A 29 16.140 12.834 -3.511 1.00 0.00 O ATOM 42 CB MET A 29 17.915 14.996 -3.241 1.00 0.00 C ATOM 43 CG MET A 29 17.301 15.427 -4.578 1.00 0.00 C ATOM 44 SD MET A 29 17.115 17.227 -4.605 1.00 0.00 S ATOM 45 CE MET A 29 15.612 17.290 -5.612 1.00 0.00 C ATOM 0 H MET A 29 19.200 13.588 -5.326 1.00 0.00 H new ATOM 0 HA MET A 29 18.786 13.189 -2.367 1.00 0.00 H new ATOM 0 HB2 MET A 29 17.171 15.076 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 29 18.734 15.665 -2.977 1.00 0.00 H new ATOM 0 HG2 MET A 29 17.936 15.104 -5.403 1.00 0.00 H new ATOM 0 HG3 MET A 29 16.331 14.949 -4.716 1.00 0.00 H new ATOM 0 HE1 MET A 29 15.314 18.328 -5.756 1.00 0.00 H new ATOM 0 HE2 MET A 29 15.804 16.830 -6.581 1.00 0.00 H new ATOM 0 HE3 MET A 29 14.812 16.750 -5.106 1.00 0.00 H new ATOM 55 N GLN A 30 17.651 11.502 -4.407 1.00 0.00 N ATOM 56 CA GLN A 30 16.610 10.525 -4.850 1.00 0.00 C ATOM 57 C GLN A 30 16.637 9.285 -3.949 1.00 0.00 C ATOM 58 O GLN A 30 17.572 8.507 -3.981 1.00 0.00 O ATOM 59 CB GLN A 30 16.990 10.154 -6.288 1.00 0.00 C ATOM 60 CG GLN A 30 16.637 11.308 -7.231 1.00 0.00 C ATOM 61 CD GLN A 30 17.338 11.103 -8.578 1.00 0.00 C ATOM 62 OE1 GLN A 30 17.001 10.203 -9.321 1.00 0.00 O ATOM 63 NE2 GLN A 30 18.306 11.907 -8.926 1.00 0.00 N ATOM 0 H GLN A 30 18.610 11.248 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 30 15.604 10.941 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 30 18.056 9.936 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.463 9.250 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.558 11.356 -7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 30 16.943 12.257 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.590 12.663 -8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.778 11.779 -9.821 1.00 0.00 H new ATOM 72 N ALA A 31 15.619 9.099 -3.142 1.00 0.00 N ATOM 73 CA ALA A 31 15.582 7.908 -2.232 1.00 0.00 C ATOM 74 C ALA A 31 14.172 7.713 -1.653 1.00 0.00 C ATOM 75 O ALA A 31 13.357 8.618 -1.664 1.00 0.00 O ATOM 76 CB ALA A 31 16.577 8.229 -1.114 1.00 0.00 C ATOM 0 H ALA A 31 14.812 9.720 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 31 15.837 6.987 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.607 7.402 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 31 17.569 8.377 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.265 9.137 -0.599 1.00 0.00 H new ATOM 82 N LEU A 32 13.885 6.538 -1.146 1.00 0.00 N ATOM 83 CA LEU A 32 12.534 6.272 -0.560 1.00 0.00 C ATOM 84 C LEU A 32 12.659 5.348 0.660 1.00 0.00 C ATOM 85 O LEU A 32 13.656 4.673 0.838 1.00 0.00 O ATOM 86 CB LEU A 32 11.743 5.586 -1.677 1.00 0.00 C ATOM 87 CG LEU A 32 10.970 6.636 -2.482 1.00 0.00 C ATOM 88 CD1 LEU A 32 11.460 6.635 -3.931 1.00 0.00 C ATOM 89 CD2 LEU A 32 9.475 6.305 -2.450 1.00 0.00 C ATOM 0 H LEU A 32 14.531 5.749 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 32 12.045 7.184 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.420 5.038 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.052 4.858 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 32 11.135 7.620 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.909 7.382 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.524 6.871 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.297 5.651 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.925 7.052 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.311 5.320 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.124 6.308 -1.418 1.00 0.00 H new ATOM 101 N SER A 33 11.654 5.311 1.500 1.00 0.00 N ATOM 102 CA SER A 33 11.711 4.433 2.711 1.00 0.00 C ATOM 103 C SER A 33 10.760 3.241 2.572 1.00 0.00 C ATOM 104 O SER A 33 10.301 2.693 3.556 1.00 0.00 O ATOM 105 CB SER A 33 11.273 5.331 3.859 1.00 0.00 C ATOM 106 OG SER A 33 12.409 5.692 4.637 1.00 0.00 O ATOM 0 H SER A 33 10.795 5.852 1.399 1.00 0.00 H new ATOM 0 HA SER A 33 12.706 4.015 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.786 6.225 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.542 4.814 4.481 1.00 0.00 H new ATOM 0 HG SER A 33 12.129 6.272 5.376 1.00 0.00 H new ATOM 112 N TYR A 34 10.456 2.856 1.355 1.00 0.00 N ATOM 113 CA TYR A 34 9.521 1.706 1.089 1.00 0.00 C ATOM 114 C TYR A 34 8.085 2.100 1.452 1.00 0.00 C ATOM 115 O TYR A 34 7.184 1.966 0.648 1.00 0.00 O ATOM 116 CB TYR A 34 10.016 0.522 1.940 1.00 0.00 C ATOM 117 CG TYR A 34 9.098 -0.664 1.742 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.311 -1.550 0.678 1.00 0.00 C ATOM 119 CD2 TYR A 34 8.028 -0.871 2.621 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.454 -2.642 0.493 1.00 0.00 C ATOM 121 CE2 TYR A 34 7.172 -1.961 2.437 1.00 0.00 C ATOM 122 CZ TYR A 34 7.383 -2.848 1.373 1.00 0.00 C ATOM 123 OH TYR A 34 6.534 -3.920 1.189 1.00 0.00 O ATOM 0 H TYR A 34 10.824 3.299 0.513 1.00 0.00 H new ATOM 0 HA TYR A 34 9.515 1.431 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.035 0.258 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 34 10.041 0.803 2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.137 -1.391 0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.864 -0.188 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.618 -3.325 -0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.347 -2.120 3.116 1.00 0.00 H new ATOM 0 HH TYR A 34 6.180 -4.209 2.056 1.00 0.00 H new ATOM 133 N ARG A 35 7.866 2.603 2.643 1.00 0.00 N ATOM 134 CA ARG A 35 6.489 3.025 3.034 1.00 0.00 C ATOM 135 C ARG A 35 6.004 4.132 2.089 1.00 0.00 C ATOM 136 O ARG A 35 4.846 4.182 1.724 1.00 0.00 O ATOM 137 CB ARG A 35 6.617 3.549 4.469 1.00 0.00 C ATOM 138 CG ARG A 35 5.228 3.839 5.044 1.00 0.00 C ATOM 139 CD ARG A 35 4.492 2.521 5.315 1.00 0.00 C ATOM 140 NE ARG A 35 3.350 2.888 6.200 1.00 0.00 N ATOM 141 CZ ARG A 35 2.847 2.004 7.019 1.00 0.00 C ATOM 142 NH1 ARG A 35 3.345 1.876 8.222 1.00 0.00 N ATOM 143 NH2 ARG A 35 1.845 1.254 6.637 1.00 0.00 N ATOM 0 H ARG A 35 8.581 2.738 3.358 1.00 0.00 H new ATOM 0 HA ARG A 35 5.768 2.210 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.131 2.814 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.222 4.456 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.319 4.412 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.655 4.449 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.142 2.067 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.147 1.796 5.797 1.00 0.00 H new ATOM 0 HE ARG A 35 2.961 3.830 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.123 2.466 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.955 1.187 8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.457 1.360 5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.452 0.563 7.277 1.00 0.00 H new ATOM 157 N GLU A 36 6.891 5.006 1.674 1.00 0.00 N ATOM 158 CA GLU A 36 6.484 6.093 0.734 1.00 0.00 C ATOM 159 C GLU A 36 6.301 5.512 -0.670 1.00 0.00 C ATOM 160 O GLU A 36 5.424 5.919 -1.407 1.00 0.00 O ATOM 161 CB GLU A 36 7.629 7.107 0.762 1.00 0.00 C ATOM 162 CG GLU A 36 7.315 8.197 1.790 1.00 0.00 C ATOM 163 CD GLU A 36 8.562 9.050 2.036 1.00 0.00 C ATOM 164 OE1 GLU A 36 8.938 9.789 1.139 1.00 0.00 O ATOM 165 OE2 GLU A 36 9.119 8.950 3.117 1.00 0.00 O ATOM 0 H GLU A 36 7.874 5.012 1.946 1.00 0.00 H new ATOM 0 HA GLU A 36 5.540 6.559 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.565 6.609 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.762 7.550 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.499 8.824 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.982 7.744 2.724 1.00 0.00 H new ATOM 172 N ALA A 37 7.115 4.550 -1.034 1.00 0.00 N ATOM 173 CA ALA A 37 6.986 3.919 -2.380 1.00 0.00 C ATOM 174 C ALA A 37 5.681 3.118 -2.449 1.00 0.00 C ATOM 175 O ALA A 37 5.006 3.111 -3.459 1.00 0.00 O ATOM 176 CB ALA A 37 8.196 2.990 -2.510 1.00 0.00 C ATOM 0 H ALA A 37 7.865 4.175 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 37 6.960 4.655 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.168 2.490 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.113 3.574 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.169 2.244 -1.715 1.00 0.00 H new ATOM 182 N VAL A 38 5.320 2.455 -1.374 1.00 0.00 N ATOM 183 CA VAL A 38 4.052 1.662 -1.361 1.00 0.00 C ATOM 184 C VAL A 38 2.850 2.601 -1.508 1.00 0.00 C ATOM 185 O VAL A 38 1.908 2.302 -2.213 1.00 0.00 O ATOM 186 CB VAL A 38 4.031 0.952 -0.001 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.665 0.303 0.228 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.115 -0.130 0.028 1.00 0.00 C ATOM 0 H VAL A 38 5.852 2.430 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 38 4.000 0.947 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 38 4.219 1.683 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.658 -0.199 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.891 1.070 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.471 -0.425 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.100 -0.634 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.926 -0.856 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.091 0.329 -0.127 1.00 0.00 H new ATOM 198 N LEU A 39 2.887 3.740 -0.859 1.00 0.00 N ATOM 199 CA LEU A 39 1.754 4.707 -0.976 1.00 0.00 C ATOM 200 C LEU A 39 1.636 5.185 -2.424 1.00 0.00 C ATOM 201 O LEU A 39 0.554 5.253 -2.977 1.00 0.00 O ATOM 202 CB LEU A 39 2.115 5.874 -0.052 1.00 0.00 C ATOM 203 CG LEU A 39 1.760 5.509 1.390 1.00 0.00 C ATOM 204 CD1 LEU A 39 2.653 6.293 2.356 1.00 0.00 C ATOM 205 CD2 LEU A 39 0.291 5.854 1.654 1.00 0.00 C ATOM 0 H LEU A 39 3.652 4.040 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 39 0.798 4.262 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.179 6.099 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.576 6.772 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 39 1.917 4.441 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.397 6.030 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.698 6.046 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.501 7.362 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.035 5.595 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.135 6.922 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.344 5.291 0.969 1.00 0.00 H new ATOM 217 N ARG A 40 2.747 5.497 -3.046 1.00 0.00 N ATOM 218 CA ARG A 40 2.707 5.953 -4.468 1.00 0.00 C ATOM 219 C ARG A 40 2.386 4.766 -5.385 1.00 0.00 C ATOM 220 O ARG A 40 1.668 4.902 -6.358 1.00 0.00 O ATOM 221 CB ARG A 40 4.107 6.501 -4.764 1.00 0.00 C ATOM 222 CG ARG A 40 4.019 7.541 -5.885 1.00 0.00 C ATOM 223 CD ARG A 40 5.253 7.435 -6.790 1.00 0.00 C ATOM 224 NE ARG A 40 4.750 7.709 -8.168 1.00 0.00 N ATOM 225 CZ ARG A 40 5.360 7.191 -9.202 1.00 0.00 C ATOM 226 NH1 ARG A 40 5.190 5.929 -9.492 1.00 0.00 N ATOM 227 NH2 ARG A 40 6.142 7.937 -9.939 1.00 0.00 N ATOM 0 H ARG A 40 3.677 5.455 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 40 1.940 6.709 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.530 6.952 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.773 5.689 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.113 7.383 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.953 8.543 -5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.018 8.155 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.706 6.445 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 40 3.930 8.301 -8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.582 5.350 -8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.665 5.523 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.275 8.921 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.619 7.534 -10.746 1.00 0.00 H new ATOM 241 N ALA A 41 2.909 3.602 -5.072 1.00 0.00 N ATOM 242 CA ALA A 41 2.635 2.397 -5.913 1.00 0.00 C ATOM 243 C ALA A 41 1.146 2.042 -5.852 1.00 0.00 C ATOM 244 O ALA A 41 0.531 1.746 -6.859 1.00 0.00 O ATOM 245 CB ALA A 41 3.479 1.274 -5.301 1.00 0.00 C ATOM 0 H ALA A 41 3.515 3.437 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 41 2.884 2.563 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.328 0.355 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.533 1.552 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.177 1.115 -4.266 1.00 0.00 H new ATOM 251 N VAL A 42 0.560 2.083 -4.676 1.00 0.00 N ATOM 252 CA VAL A 42 -0.895 1.762 -4.548 1.00 0.00 C ATOM 253 C VAL A 42 -1.722 2.815 -5.300 1.00 0.00 C ATOM 254 O VAL A 42 -2.698 2.496 -5.954 1.00 0.00 O ATOM 255 CB VAL A 42 -1.178 1.789 -3.036 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.673 2.006 -2.777 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.753 0.454 -2.418 1.00 0.00 C ATOM 0 H VAL A 42 1.028 2.325 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.159 0.795 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.615 2.608 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.858 2.023 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.984 2.955 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.242 1.195 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.952 0.469 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.316 -0.357 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.312 0.298 -2.587 1.00 0.00 H new ATOM 267 N ASP A 43 -1.324 4.064 -5.225 1.00 0.00 N ATOM 268 CA ASP A 43 -2.068 5.137 -5.953 1.00 0.00 C ATOM 269 C ASP A 43 -1.914 4.933 -7.465 1.00 0.00 C ATOM 270 O ASP A 43 -2.856 5.074 -8.219 1.00 0.00 O ATOM 271 CB ASP A 43 -1.413 6.456 -5.515 1.00 0.00 C ATOM 272 CG ASP A 43 -2.434 7.322 -4.769 1.00 0.00 C ATOM 273 OD1 ASP A 43 -3.051 6.818 -3.844 1.00 0.00 O ATOM 274 OD2 ASP A 43 -2.575 8.477 -5.135 1.00 0.00 O ATOM 0 H ASP A 43 -0.516 4.384 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.135 5.129 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.557 6.251 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.036 6.992 -6.386 1.00 0.00 H new ATOM 279 N ARG A 44 -0.729 4.585 -7.907 1.00 0.00 N ATOM 280 CA ARG A 44 -0.507 4.352 -9.367 1.00 0.00 C ATOM 281 C ARG A 44 -1.341 3.153 -9.831 1.00 0.00 C ATOM 282 O ARG A 44 -1.894 3.153 -10.916 1.00 0.00 O ATOM 283 CB ARG A 44 0.989 4.058 -9.510 1.00 0.00 C ATOM 284 CG ARG A 44 1.518 4.709 -10.789 1.00 0.00 C ATOM 285 CD ARG A 44 1.105 3.870 -12.002 1.00 0.00 C ATOM 286 NE ARG A 44 2.127 4.174 -13.040 1.00 0.00 N ATOM 287 CZ ARG A 44 1.805 4.877 -14.093 1.00 0.00 C ATOM 288 NH1 ARG A 44 1.436 6.124 -13.958 1.00 0.00 N ATOM 289 NH2 ARG A 44 1.856 4.333 -15.279 1.00 0.00 N ATOM 0 H ARG A 44 0.094 4.453 -7.318 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.804 5.208 -9.974 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.530 4.440 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.157 2.982 -9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.125 5.721 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.604 4.792 -10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.090 2.807 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.104 4.134 -12.343 1.00 0.00 H new ATOM 0 HE ARG A 44 3.082 3.833 -12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.400 6.548 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.185 6.673 -14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.147 3.361 -15.382 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.605 4.880 -16.102 1.00 0.00 H new ATOM 303 N LEU A 45 -1.443 2.137 -9.004 1.00 0.00 N ATOM 304 CA LEU A 45 -2.254 0.934 -9.367 1.00 0.00 C ATOM 305 C LEU A 45 -3.716 1.344 -9.573 1.00 0.00 C ATOM 306 O LEU A 45 -4.375 0.886 -10.487 1.00 0.00 O ATOM 307 CB LEU A 45 -2.109 -0.016 -8.169 1.00 0.00 C ATOM 308 CG LEU A 45 -3.212 -1.083 -8.196 1.00 0.00 C ATOM 309 CD1 LEU A 45 -2.590 -2.468 -8.017 1.00 0.00 C ATOM 310 CD2 LEU A 45 -4.202 -0.822 -7.055 1.00 0.00 C ATOM 0 H LEU A 45 -0.996 2.092 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.923 0.462 -10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.130 -0.495 -8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.164 0.550 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.734 -1.039 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.375 -3.224 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.884 -2.657 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.068 -2.512 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.986 -1.579 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.677 -0.866 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.648 0.165 -7.179 1.00 0.00 H new ATOM 322 N ASN A 46 -4.222 2.208 -8.730 1.00 0.00 N ATOM 323 CA ASN A 46 -5.639 2.661 -8.875 1.00 0.00 C ATOM 324 C ASN A 46 -5.802 3.461 -10.179 1.00 0.00 C ATOM 325 O ASN A 46 -6.776 3.309 -10.887 1.00 0.00 O ATOM 326 CB ASN A 46 -5.921 3.519 -7.623 1.00 0.00 C ATOM 327 CG ASN A 46 -6.199 4.985 -7.993 1.00 0.00 C ATOM 328 OD1 ASN A 46 -7.308 5.306 -8.607 1.00 0.00 O flip ATOM 329 ND2 ASN A 46 -5.398 5.851 -7.710 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.715 2.620 -7.947 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.345 1.833 -8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.777 3.110 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.067 3.469 -6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.531 5.607 -7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.591 6.823 -7.951 1.00 0.00 H new ATOM 336 N GLU A 47 -4.848 4.301 -10.499 1.00 0.00 N ATOM 337 CA GLU A 47 -4.939 5.102 -11.759 1.00 0.00 C ATOM 338 C GLU A 47 -4.812 4.183 -12.982 1.00 0.00 C ATOM 339 O GLU A 47 -5.464 4.386 -13.989 1.00 0.00 O ATOM 340 CB GLU A 47 -3.767 6.086 -11.703 1.00 0.00 C ATOM 341 CG GLU A 47 -4.282 7.479 -11.324 1.00 0.00 C ATOM 342 CD GLU A 47 -5.040 8.090 -12.507 1.00 0.00 C ATOM 343 OE1 GLU A 47 -4.386 8.569 -13.421 1.00 0.00 O ATOM 344 OE2 GLU A 47 -6.260 8.068 -12.480 1.00 0.00 O ATOM 0 H GLU A 47 -4.010 4.466 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.895 5.619 -11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.031 5.749 -10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.264 6.124 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.938 7.411 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.448 8.122 -11.044 1.00 0.00 H new ATOM 351 N GLN A 48 -3.980 3.172 -12.897 1.00 0.00 N ATOM 352 CA GLN A 48 -3.812 2.234 -14.048 1.00 0.00 C ATOM 353 C GLN A 48 -4.553 0.914 -13.780 1.00 0.00 C ATOM 354 O GLN A 48 -4.147 -0.140 -14.234 1.00 0.00 O ATOM 355 CB GLN A 48 -2.300 2.000 -14.148 1.00 0.00 C ATOM 356 CG GLN A 48 -1.944 1.554 -15.571 1.00 0.00 C ATOM 357 CD GLN A 48 -0.493 1.933 -15.891 1.00 0.00 C ATOM 358 OE1 GLN A 48 0.380 1.818 -15.053 1.00 0.00 O ATOM 359 NE2 GLN A 48 -0.194 2.380 -17.080 1.00 0.00 N ATOM 0 H GLN A 48 -3.410 2.957 -12.079 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.224 2.637 -14.973 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.762 2.914 -13.897 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.991 1.241 -13.430 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.077 0.476 -15.667 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.618 2.024 -16.288 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.923 2.478 -17.786 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.769 2.631 -17.303 1.00 0.00 H new ATOM 368 N SER A 49 -5.638 0.968 -13.046 1.00 0.00 N ATOM 369 CA SER A 49 -6.414 -0.273 -12.744 1.00 0.00 C ATOM 370 C SER A 49 -7.378 -0.598 -13.894 1.00 0.00 C ATOM 371 O SER A 49 -7.496 0.147 -14.849 1.00 0.00 O ATOM 372 CB SER A 49 -7.191 0.053 -11.467 1.00 0.00 C ATOM 373 OG SER A 49 -6.831 -0.864 -10.443 1.00 0.00 O ATOM 0 H SER A 49 -6.020 1.823 -12.642 1.00 0.00 H new ATOM 0 HA SER A 49 -5.769 -1.143 -12.622 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.975 1.073 -11.148 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.263 -0.001 -11.657 1.00 0.00 H new ATOM 0 HG SER A 49 -5.947 -0.630 -10.090 1.00 0.00 H new ATOM 379 N SER A 50 -8.068 -1.708 -13.804 1.00 0.00 N ATOM 380 CA SER A 50 -9.029 -2.095 -14.884 1.00 0.00 C ATOM 381 C SER A 50 -10.474 -2.091 -14.360 1.00 0.00 C ATOM 382 O SER A 50 -11.372 -1.600 -15.016 1.00 0.00 O ATOM 383 CB SER A 50 -8.617 -3.509 -15.300 1.00 0.00 C ATOM 384 OG SER A 50 -7.586 -3.431 -16.276 1.00 0.00 O ATOM 0 H SER A 50 -8.007 -2.365 -13.026 1.00 0.00 H new ATOM 0 HA SER A 50 -8.999 -1.395 -15.719 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.270 -4.069 -14.432 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.475 -4.046 -15.703 1.00 0.00 H new ATOM 0 HG SER A 50 -7.319 -4.335 -16.543 1.00 0.00 H new ATOM 390 N GLU A 51 -10.703 -2.640 -13.189 1.00 0.00 N ATOM 391 CA GLU A 51 -12.089 -2.677 -12.630 1.00 0.00 C ATOM 392 C GLU A 51 -12.541 -1.277 -12.181 1.00 0.00 C ATOM 393 O GLU A 51 -11.742 -0.372 -12.017 1.00 0.00 O ATOM 394 CB GLU A 51 -12.019 -3.640 -11.440 1.00 0.00 C ATOM 395 CG GLU A 51 -12.398 -5.053 -11.901 1.00 0.00 C ATOM 396 CD GLU A 51 -13.897 -5.115 -12.214 1.00 0.00 C ATOM 397 OE1 GLU A 51 -14.662 -5.383 -11.303 1.00 0.00 O ATOM 398 OE2 GLU A 51 -14.252 -4.894 -13.361 1.00 0.00 O ATOM 0 H GLU A 51 -9.988 -3.064 -12.598 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.816 -3.005 -13.373 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.014 -3.641 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.695 -3.310 -10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.821 -5.323 -12.786 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.149 -5.777 -11.125 1.00 0.00 H new ATOM 405 N ALA A 52 -13.826 -1.099 -11.993 1.00 0.00 N ATOM 406 CA ALA A 52 -14.361 0.233 -11.574 1.00 0.00 C ATOM 407 C ALA A 52 -14.539 0.303 -10.049 1.00 0.00 C ATOM 408 O ALA A 52 -15.551 0.761 -9.551 1.00 0.00 O ATOM 409 CB ALA A 52 -15.711 0.355 -12.285 1.00 0.00 C ATOM 0 H ALA A 52 -14.532 -1.825 -12.113 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.682 1.045 -11.836 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.172 1.309 -12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.560 0.302 -13.363 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.363 -0.459 -11.969 1.00 0.00 H new ATOM 415 N ASN A 53 -13.552 -0.129 -9.309 1.00 0.00 N ATOM 416 CA ASN A 53 -13.637 -0.076 -7.818 1.00 0.00 C ATOM 417 C ASN A 53 -12.277 0.335 -7.244 1.00 0.00 C ATOM 418 O ASN A 53 -11.281 -0.327 -7.461 1.00 0.00 O ATOM 419 CB ASN A 53 -13.999 -1.496 -7.377 1.00 0.00 C ATOM 420 CG ASN A 53 -15.507 -1.594 -7.125 1.00 0.00 C ATOM 421 OD1 ASN A 53 -16.224 -2.211 -7.887 1.00 0.00 O ATOM 422 ND2 ASN A 53 -16.023 -1.010 -6.077 1.00 0.00 N ATOM 0 H ASN A 53 -12.684 -0.519 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.374 0.648 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.702 -2.211 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.452 -1.755 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.026 -1.073 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.423 -0.491 -5.435 1.00 0.00 H new ATOM 429 N LEU A 54 -12.226 1.424 -6.521 1.00 0.00 N ATOM 430 CA LEU A 54 -10.921 1.883 -5.941 1.00 0.00 C ATOM 431 C LEU A 54 -10.459 0.923 -4.837 1.00 0.00 C ATOM 432 O LEU A 54 -11.255 0.210 -4.252 1.00 0.00 O ATOM 433 CB LEU A 54 -11.194 3.275 -5.359 1.00 0.00 C ATOM 434 CG LEU A 54 -10.570 4.345 -6.258 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.992 5.732 -5.768 1.00 0.00 C ATOM 436 CD2 LEU A 54 -9.044 4.233 -6.206 1.00 0.00 C ATOM 0 H LEU A 54 -13.028 2.016 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.133 1.908 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.268 3.439 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.780 3.346 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.911 4.199 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.548 6.495 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.078 5.816 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.651 5.875 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.601 4.996 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.703 4.378 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.740 3.246 -6.553 1.00 0.00 H new ATOM 448 N TYR A 55 -9.180 0.899 -4.547 1.00 0.00 N ATOM 449 CA TYR A 55 -8.670 -0.013 -3.481 1.00 0.00 C ATOM 450 C TYR A 55 -7.595 0.684 -2.649 1.00 0.00 C ATOM 451 O TYR A 55 -6.431 0.709 -3.009 1.00 0.00 O ATOM 452 CB TYR A 55 -8.083 -1.220 -4.220 1.00 0.00 C ATOM 453 CG TYR A 55 -9.192 -2.191 -4.543 1.00 0.00 C ATOM 454 CD1 TYR A 55 -9.624 -3.108 -3.578 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.796 -2.162 -5.802 1.00 0.00 C ATOM 456 CE1 TYR A 55 -10.663 -3.996 -3.875 1.00 0.00 C ATOM 457 CE2 TYR A 55 -10.833 -3.051 -6.100 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.266 -3.967 -5.138 1.00 0.00 C ATOM 459 OH TYR A 55 -12.294 -4.837 -5.429 1.00 0.00 O ATOM 0 H TYR A 55 -8.470 1.472 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.460 -0.309 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.589 -0.896 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.326 -1.706 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.156 -3.130 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.462 -1.453 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.000 -4.703 -3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.299 -3.030 -7.074 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.601 -4.685 -6.347 1.00 0.00 H new ATOM 469 N ARG A 56 -7.976 1.237 -1.529 1.00 0.00 N ATOM 470 CA ARG A 56 -6.983 1.920 -0.651 1.00 0.00 C ATOM 471 C ARG A 56 -6.189 0.863 0.124 1.00 0.00 C ATOM 472 O ARG A 56 -6.726 -0.162 0.507 1.00 0.00 O ATOM 473 CB ARG A 56 -7.812 2.784 0.306 1.00 0.00 C ATOM 474 CG ARG A 56 -7.180 4.172 0.432 1.00 0.00 C ATOM 475 CD ARG A 56 -6.322 4.232 1.698 1.00 0.00 C ATOM 476 NE ARG A 56 -5.683 5.578 1.665 1.00 0.00 N ATOM 477 CZ ARG A 56 -4.946 5.975 2.663 1.00 0.00 C ATOM 478 NH1 ARG A 56 -5.506 6.503 3.721 1.00 0.00 N ATOM 479 NH2 ARG A 56 -3.648 5.838 2.606 1.00 0.00 N ATOM 0 H ARG A 56 -8.936 1.245 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.270 2.525 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.834 2.872 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.866 2.309 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.568 4.385 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.958 4.935 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.930 4.105 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.574 3.440 1.706 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.823 6.189 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.520 6.604 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.929 6.814 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.215 5.421 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.068 6.148 3.386 1.00 0.00 H new ATOM 493 N LEU A 57 -4.919 1.094 0.349 1.00 0.00 N ATOM 494 CA LEU A 57 -4.099 0.087 1.093 1.00 0.00 C ATOM 495 C LEU A 57 -4.623 -0.079 2.524 1.00 0.00 C ATOM 496 O LEU A 57 -4.761 0.877 3.265 1.00 0.00 O ATOM 497 CB LEU A 57 -2.669 0.640 1.101 1.00 0.00 C ATOM 498 CG LEU A 57 -1.722 -0.408 1.699 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.419 -0.446 0.897 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.408 -0.046 3.154 1.00 0.00 C ATOM 0 H LEU A 57 -4.417 1.931 0.052 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.145 -0.896 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.358 0.891 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.626 1.560 1.684 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.202 -1.386 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.250 -1.192 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.637 -0.706 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.059 0.533 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.735 -0.792 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.933 0.934 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.333 -0.023 3.731 1.00 0.00 H new ATOM 512 N LEU A 58 -4.902 -1.297 2.910 1.00 0.00 N ATOM 513 CA LEU A 58 -5.405 -1.566 4.288 1.00 0.00 C ATOM 514 C LEU A 58 -4.217 -1.801 5.227 1.00 0.00 C ATOM 515 O LEU A 58 -4.190 -1.318 6.343 1.00 0.00 O ATOM 516 CB LEU A 58 -6.255 -2.838 4.154 1.00 0.00 C ATOM 517 CG LEU A 58 -6.670 -3.345 5.541 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.101 -2.902 5.842 1.00 0.00 C ATOM 519 CD2 LEU A 58 -6.596 -4.875 5.570 1.00 0.00 C ATOM 0 H LEU A 58 -4.801 -2.125 2.322 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.983 -0.738 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.141 -2.631 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.689 -3.609 3.631 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.996 -2.932 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.394 -3.263 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.157 -1.814 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.775 -3.313 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.891 -5.235 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.269 -5.286 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.576 -5.194 5.358 1.00 0.00 H new ATOM 531 N GLU A 59 -3.232 -2.537 4.774 1.00 0.00 N ATOM 532 CA GLU A 59 -2.036 -2.810 5.625 1.00 0.00 C ATOM 533 C GLU A 59 -0.815 -3.106 4.745 1.00 0.00 C ATOM 534 O GLU A 59 -0.929 -3.683 3.678 1.00 0.00 O ATOM 535 CB GLU A 59 -2.409 -4.039 6.465 1.00 0.00 C ATOM 536 CG GLU A 59 -2.635 -3.619 7.923 1.00 0.00 C ATOM 537 CD GLU A 59 -3.645 -4.565 8.581 1.00 0.00 C ATOM 538 OE1 GLU A 59 -4.831 -4.292 8.487 1.00 0.00 O ATOM 539 OE2 GLU A 59 -3.216 -5.544 9.170 1.00 0.00 O ATOM 0 H GLU A 59 -3.206 -2.962 3.847 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.775 -1.957 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.311 -4.504 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.615 -4.784 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.692 -3.642 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.002 -2.594 7.964 1.00 0.00 H new ATOM 546 N LEU A 60 0.352 -2.719 5.189 1.00 0.00 N ATOM 547 CA LEU A 60 1.591 -2.975 4.396 1.00 0.00 C ATOM 548 C LEU A 60 2.425 -4.060 5.082 1.00 0.00 C ATOM 549 O LEU A 60 2.509 -4.122 6.295 1.00 0.00 O ATOM 550 CB LEU A 60 2.339 -1.637 4.376 1.00 0.00 C ATOM 551 CG LEU A 60 3.714 -1.801 3.714 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.545 -2.278 2.270 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.439 -0.453 3.718 1.00 0.00 C ATOM 0 H LEU A 60 0.501 -2.233 6.073 1.00 0.00 H new ATOM 0 HA LEU A 60 1.379 -3.326 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.754 -0.894 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.460 -1.266 5.394 1.00 0.00 H new ATOM 0 HG LEU A 60 4.294 -2.538 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.525 -2.392 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.026 -3.237 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.963 -1.546 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.417 -0.564 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.851 0.278 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.566 -0.111 4.745 1.00 0.00 H new ATOM 565 N ASP A 61 3.031 -4.915 4.308 1.00 0.00 N ATOM 566 CA ASP A 61 3.857 -6.014 4.890 1.00 0.00 C ATOM 567 C ASP A 61 5.349 -5.679 4.805 1.00 0.00 C ATOM 568 O ASP A 61 5.756 -4.779 4.093 1.00 0.00 O ATOM 569 CB ASP A 61 3.539 -7.237 4.026 1.00 0.00 C ATOM 570 CG ASP A 61 3.821 -8.516 4.816 1.00 0.00 C ATOM 571 OD1 ASP A 61 2.951 -8.931 5.562 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.902 -9.061 4.658 1.00 0.00 O ATOM 0 H ASP A 61 2.991 -4.901 3.289 1.00 0.00 H new ATOM 0 HA ASP A 61 3.634 -6.177 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.494 -7.213 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.142 -7.219 3.118 1.00 0.00 H new ATOM 577 N GLN A 62 6.165 -6.422 5.513 1.00 0.00 N ATOM 578 CA GLN A 62 7.637 -6.187 5.470 1.00 0.00 C ATOM 579 C GLN A 62 8.312 -7.393 4.794 1.00 0.00 C ATOM 580 O GLN A 62 8.778 -8.301 5.457 1.00 0.00 O ATOM 581 CB GLN A 62 8.071 -6.053 6.934 1.00 0.00 C ATOM 582 CG GLN A 62 9.461 -5.409 7.003 1.00 0.00 C ATOM 583 CD GLN A 62 9.372 -3.936 6.589 1.00 0.00 C ATOM 584 OE1 GLN A 62 8.764 -3.137 7.275 1.00 0.00 O ATOM 585 NE2 GLN A 62 9.953 -3.541 5.489 1.00 0.00 N ATOM 0 H GLN A 62 5.870 -7.185 6.122 1.00 0.00 H new ATOM 0 HA GLN A 62 7.913 -5.298 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.351 -5.446 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.090 -7.034 7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.859 -5.488 8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.151 -5.940 6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.463 -4.210 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.897 -2.563 5.205 1.00 0.00 H new ATOM 594 N PRO A 63 8.309 -7.362 3.485 1.00 0.00 N ATOM 595 CA PRO A 63 8.897 -8.467 2.678 1.00 0.00 C ATOM 596 C PRO A 63 10.435 -8.455 2.737 1.00 0.00 C ATOM 597 O PRO A 63 11.029 -7.552 3.294 1.00 0.00 O ATOM 598 CB PRO A 63 8.405 -8.165 1.264 1.00 0.00 C ATOM 599 CG PRO A 63 8.147 -6.694 1.249 1.00 0.00 C ATOM 600 CD PRO A 63 7.762 -6.297 2.642 1.00 0.00 C ATOM 0 HA PRO A 63 8.603 -9.453 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.151 -8.442 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.500 -8.727 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.035 -6.151 0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.351 -6.450 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.178 -5.325 2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.680 -6.221 2.749 1.00 0.00 H new ATOM 608 N PRO A 64 11.028 -9.474 2.152 1.00 0.00 N ATOM 609 CA PRO A 64 12.513 -9.598 2.132 1.00 0.00 C ATOM 610 C PRO A 64 13.149 -8.516 1.249 1.00 0.00 C ATOM 611 O PRO A 64 12.514 -7.979 0.361 1.00 0.00 O ATOM 612 CB PRO A 64 12.747 -10.989 1.541 1.00 0.00 C ATOM 613 CG PRO A 64 11.515 -11.282 0.748 1.00 0.00 C ATOM 614 CD PRO A 64 10.379 -10.596 1.455 1.00 0.00 C ATOM 0 HA PRO A 64 12.959 -9.472 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.636 -11.006 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.898 -11.731 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.615 -10.915 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.341 -12.356 0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.622 -10.247 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.879 -11.266 2.154 1.00 0.00 H new ATOM 622 N LYS A 65 14.401 -8.204 1.491 1.00 0.00 N ATOM 623 CA LYS A 65 15.113 -7.162 0.679 1.00 0.00 C ATOM 624 C LYS A 65 14.279 -5.878 0.573 1.00 0.00 C ATOM 625 O LYS A 65 13.949 -5.420 -0.506 1.00 0.00 O ATOM 626 CB LYS A 65 15.326 -7.793 -0.701 1.00 0.00 C ATOM 627 CG LYS A 65 16.438 -8.844 -0.618 1.00 0.00 C ATOM 628 CD LYS A 65 15.845 -10.238 -0.843 1.00 0.00 C ATOM 629 CE LYS A 65 16.182 -10.719 -2.258 1.00 0.00 C ATOM 630 NZ LYS A 65 17.244 -11.753 -2.079 1.00 0.00 N ATOM 0 H LYS A 65 14.967 -8.631 2.224 1.00 0.00 H new ATOM 0 HA LYS A 65 16.057 -6.872 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.401 -8.254 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.591 -7.024 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.203 -8.638 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.924 -8.798 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.243 -10.936 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.764 -10.211 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.304 -11.137 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.535 -9.896 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.524 -12.127 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.070 -11.325 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.878 -12.528 -1.490 1.00 0.00 H new ATOM 644 N ALA A 66 13.956 -5.287 1.693 1.00 0.00 N ATOM 645 CA ALA A 66 13.164 -4.023 1.681 1.00 0.00 C ATOM 646 C ALA A 66 14.074 -2.864 2.101 1.00 0.00 C ATOM 647 O ALA A 66 14.880 -2.415 1.318 1.00 0.00 O ATOM 648 CB ALA A 66 12.020 -4.249 2.678 1.00 0.00 C ATOM 0 H ALA A 66 14.208 -5.628 2.621 1.00 0.00 H new ATOM 0 HA ALA A 66 12.764 -3.772 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.394 -3.358 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.419 -5.099 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.433 -4.451 3.666 1.00 0.00 H new ATOM 654 N ASP A 67 13.989 -2.387 3.319 1.00 0.00 N ATOM 655 CA ASP A 67 14.890 -1.268 3.743 1.00 0.00 C ATOM 656 C ASP A 67 16.317 -1.792 4.012 1.00 0.00 C ATOM 657 O ASP A 67 16.925 -1.478 5.020 1.00 0.00 O ATOM 658 CB ASP A 67 14.257 -0.706 5.024 1.00 0.00 C ATOM 659 CG ASP A 67 13.524 0.602 4.705 1.00 0.00 C ATOM 660 OD1 ASP A 67 12.557 0.554 3.961 1.00 0.00 O ATOM 661 OD2 ASP A 67 13.945 1.631 5.207 1.00 0.00 O ATOM 0 H ASP A 67 13.341 -2.720 4.033 1.00 0.00 H new ATOM 0 HA ASP A 67 14.985 -0.503 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.561 -1.431 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.027 -0.529 5.775 1.00 0.00 H new ATOM 666 N GLU A 68 16.853 -2.588 3.113 1.00 0.00 N ATOM 667 CA GLU A 68 18.232 -3.139 3.297 1.00 0.00 C ATOM 668 C GLU A 68 18.787 -3.694 1.966 1.00 0.00 C ATOM 669 O GLU A 68 19.653 -4.550 1.960 1.00 0.00 O ATOM 670 CB GLU A 68 18.074 -4.268 4.327 1.00 0.00 C ATOM 671 CG GLU A 68 17.074 -5.314 3.810 1.00 0.00 C ATOM 672 CD GLU A 68 15.903 -5.444 4.791 1.00 0.00 C ATOM 673 OE1 GLU A 68 16.057 -6.144 5.777 1.00 0.00 O ATOM 674 OE2 GLU A 68 14.872 -4.845 4.536 1.00 0.00 O ATOM 0 H GLU A 68 16.388 -2.880 2.254 1.00 0.00 H new ATOM 0 HA GLU A 68 18.934 -2.373 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.039 -4.738 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.728 -3.860 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.705 -5.023 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.570 -6.277 3.692 1.00 0.00 H new ATOM 681 N ASP A 69 18.298 -3.210 0.845 1.00 0.00 N ATOM 682 CA ASP A 69 18.789 -3.705 -0.479 1.00 0.00 C ATOM 683 C ASP A 69 18.415 -2.698 -1.582 1.00 0.00 C ATOM 684 O ASP A 69 17.366 -2.804 -2.190 1.00 0.00 O ATOM 685 CB ASP A 69 18.079 -5.047 -0.697 1.00 0.00 C ATOM 686 CG ASP A 69 19.106 -6.185 -0.720 1.00 0.00 C ATOM 687 OD1 ASP A 69 20.033 -6.110 -1.512 1.00 0.00 O ATOM 688 OD2 ASP A 69 18.947 -7.116 0.055 1.00 0.00 O ATOM 0 H ASP A 69 17.577 -2.490 0.793 1.00 0.00 H new ATOM 0 HA ASP A 69 19.873 -3.820 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.353 -5.217 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.525 -5.027 -1.636 1.00 0.00 H new ATOM 693 N PRO A 70 19.287 -1.738 -1.782 1.00 0.00 N ATOM 694 CA PRO A 70 19.051 -0.680 -2.802 1.00 0.00 C ATOM 695 C PRO A 70 19.296 -1.189 -4.236 1.00 0.00 C ATOM 696 O PRO A 70 18.443 -1.062 -5.095 1.00 0.00 O ATOM 697 CB PRO A 70 20.061 0.402 -2.428 1.00 0.00 C ATOM 698 CG PRO A 70 21.155 -0.309 -1.694 1.00 0.00 C ATOM 699 CD PRO A 70 20.560 -1.548 -1.075 1.00 0.00 C ATOM 0 HA PRO A 70 18.019 -0.330 -2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 70 20.446 0.904 -3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 70 19.602 1.168 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 70 21.964 -0.572 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 70 21.582 0.335 -0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 70 21.216 -2.409 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.404 -1.421 -0.004 1.00 0.00 H new ATOM 707 N GLY A 71 20.454 -1.744 -4.506 1.00 0.00 N ATOM 708 CA GLY A 71 20.754 -2.242 -5.885 1.00 0.00 C ATOM 709 C GLY A 71 19.774 -3.353 -6.282 1.00 0.00 C ATOM 710 O GLY A 71 19.350 -3.438 -7.418 1.00 0.00 O ATOM 0 H GLY A 71 21.205 -1.873 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.688 -1.419 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.776 -2.619 -5.927 1.00 0.00 H new ATOM 714 N THR A 72 19.413 -4.203 -5.354 1.00 0.00 N ATOM 715 CA THR A 72 18.461 -5.312 -5.672 1.00 0.00 C ATOM 716 C THR A 72 17.022 -4.774 -5.678 1.00 0.00 C ATOM 717 O THR A 72 16.705 -3.865 -4.936 1.00 0.00 O ATOM 718 CB THR A 72 18.654 -6.338 -4.545 1.00 0.00 C ATOM 719 OG1 THR A 72 20.042 -6.581 -4.357 1.00 0.00 O ATOM 720 CG2 THR A 72 17.956 -7.652 -4.901 1.00 0.00 C ATOM 0 H THR A 72 19.737 -4.177 -4.387 1.00 0.00 H new ATOM 0 HA THR A 72 18.643 -5.753 -6.652 1.00 0.00 H new ATOM 0 HB THR A 72 18.220 -5.940 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 72 20.272 -6.452 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.100 -8.371 -4.094 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.890 -7.472 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.380 -8.051 -5.823 1.00 0.00 H new ATOM 728 N PRO A 73 16.187 -5.357 -6.510 1.00 0.00 N ATOM 729 CA PRO A 73 14.766 -4.920 -6.593 1.00 0.00 C ATOM 730 C PRO A 73 14.048 -5.188 -5.263 1.00 0.00 C ATOM 731 O PRO A 73 14.359 -6.130 -4.558 1.00 0.00 O ATOM 732 CB PRO A 73 14.195 -5.769 -7.729 1.00 0.00 C ATOM 733 CG PRO A 73 15.092 -6.961 -7.792 1.00 0.00 C ATOM 734 CD PRO A 73 16.466 -6.463 -7.435 1.00 0.00 C ATOM 0 HA PRO A 73 14.648 -3.853 -6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.164 -6.059 -7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.195 -5.222 -8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.764 -7.734 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.084 -7.404 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.067 -7.241 -6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.014 -6.125 -8.315 1.00 0.00 H new ATOM 742 N LYS A 74 13.104 -4.352 -4.908 1.00 0.00 N ATOM 743 CA LYS A 74 12.378 -4.540 -3.616 1.00 0.00 C ATOM 744 C LYS A 74 11.011 -5.191 -3.842 1.00 0.00 C ATOM 745 O LYS A 74 10.121 -4.577 -4.402 1.00 0.00 O ATOM 746 CB LYS A 74 12.196 -3.129 -3.046 1.00 0.00 C ATOM 747 CG LYS A 74 13.210 -2.880 -1.930 1.00 0.00 C ATOM 748 CD LYS A 74 13.703 -1.435 -2.014 1.00 0.00 C ATOM 749 CE LYS A 74 14.996 -1.280 -1.211 1.00 0.00 C ATOM 750 NZ LYS A 74 14.667 -0.330 -0.108 1.00 0.00 N ATOM 0 H LYS A 74 12.805 -3.547 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 74 12.931 -5.194 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.324 -2.389 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.183 -3.012 -2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.752 -3.065 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.049 -3.569 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.875 -1.160 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.941 -0.758 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.331 -2.239 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.802 -0.893 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.179 0.563 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.644 -0.145 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.949 -0.745 0.803 1.00 0.00 H new ATOM 764 N PRO A 75 10.883 -6.409 -3.376 1.00 0.00 N ATOM 765 CA PRO A 75 9.600 -7.136 -3.501 1.00 0.00 C ATOM 766 C PRO A 75 8.598 -6.534 -2.510 1.00 0.00 C ATOM 767 O PRO A 75 8.639 -6.818 -1.335 1.00 0.00 O ATOM 768 CB PRO A 75 9.964 -8.574 -3.135 1.00 0.00 C ATOM 769 CG PRO A 75 11.181 -8.461 -2.276 1.00 0.00 C ATOM 770 CD PRO A 75 11.910 -7.214 -2.699 1.00 0.00 C ATOM 0 HA PRO A 75 9.141 -7.078 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.149 -9.063 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.164 -9.169 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.905 -8.407 -1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.818 -9.338 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.328 -6.687 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.740 -7.445 -3.367 1.00 0.00 H new ATOM 778 N VAL A 76 7.719 -5.685 -2.977 1.00 0.00 N ATOM 779 CA VAL A 76 6.733 -5.035 -2.058 1.00 0.00 C ATOM 780 C VAL A 76 5.493 -5.915 -1.888 1.00 0.00 C ATOM 781 O VAL A 76 5.117 -6.659 -2.775 1.00 0.00 O ATOM 782 CB VAL A 76 6.355 -3.709 -2.731 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.600 -2.827 -1.737 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.620 -2.975 -3.193 1.00 0.00 C ATOM 0 H VAL A 76 7.640 -5.412 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 76 7.153 -4.882 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 76 5.723 -3.919 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.332 -1.885 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.694 -3.339 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.234 -2.627 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.342 -2.035 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.257 -2.771 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.162 -3.597 -3.906 1.00 0.00 H new ATOM 794 N SER A 77 4.854 -5.827 -0.748 1.00 0.00 N ATOM 795 CA SER A 77 3.633 -6.651 -0.496 1.00 0.00 C ATOM 796 C SER A 77 2.692 -5.918 0.470 1.00 0.00 C ATOM 797 O SER A 77 3.108 -5.456 1.516 1.00 0.00 O ATOM 798 CB SER A 77 4.141 -7.949 0.147 1.00 0.00 C ATOM 799 OG SER A 77 5.301 -8.410 -0.540 1.00 0.00 O ATOM 0 H SER A 77 5.127 -5.217 0.022 1.00 0.00 H new ATOM 0 HA SER A 77 3.075 -6.842 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.374 -7.777 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.362 -8.710 0.114 1.00 0.00 H new ATOM 0 HG SER A 77 5.621 -9.238 -0.124 1.00 0.00 H new ATOM 805 N PHE A 78 1.426 -5.812 0.134 1.00 0.00 N ATOM 806 CA PHE A 78 0.466 -5.114 1.048 1.00 0.00 C ATOM 807 C PHE A 78 -0.973 -5.559 0.774 1.00 0.00 C ATOM 808 O PHE A 78 -1.286 -6.095 -0.272 1.00 0.00 O ATOM 809 CB PHE A 78 0.618 -3.609 0.772 1.00 0.00 C ATOM 810 CG PHE A 78 0.569 -3.313 -0.713 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.654 -3.349 -1.396 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.743 -2.986 -1.401 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.701 -3.060 -2.765 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.695 -2.699 -2.773 1.00 0.00 C ATOM 815 CZ PHE A 78 0.473 -2.735 -3.453 1.00 0.00 C ATOM 0 H PHE A 78 1.019 -6.176 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 78 0.681 -5.353 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.176 -3.062 1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.563 -3.255 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.561 -3.600 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.686 -2.955 -0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.644 -3.088 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.602 -2.450 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.436 -2.512 -4.509 1.00 0.00 H new ATOM 825 N THR A 79 -1.851 -5.319 1.711 1.00 0.00 N ATOM 826 CA THR A 79 -3.281 -5.706 1.525 1.00 0.00 C ATOM 827 C THR A 79 -4.105 -4.470 1.161 1.00 0.00 C ATOM 828 O THR A 79 -3.929 -3.410 1.730 1.00 0.00 O ATOM 829 CB THR A 79 -3.740 -6.284 2.871 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.334 -5.426 3.929 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.125 -7.669 3.071 1.00 0.00 C ATOM 0 H THR A 79 -1.639 -4.869 2.602 1.00 0.00 H new ATOM 0 HA THR A 79 -3.407 -6.432 0.722 1.00 0.00 H new ATOM 0 HB THR A 79 -4.827 -6.366 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.627 -5.861 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.452 -8.078 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.446 -8.329 2.265 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.038 -7.589 3.063 1.00 0.00 H new ATOM 839 N VAL A 80 -5.003 -4.601 0.220 1.00 0.00 N ATOM 840 CA VAL A 80 -5.848 -3.434 -0.182 1.00 0.00 C ATOM 841 C VAL A 80 -7.333 -3.805 -0.086 1.00 0.00 C ATOM 842 O VAL A 80 -7.712 -4.944 -0.296 1.00 0.00 O ATOM 843 CB VAL A 80 -5.452 -3.095 -1.631 1.00 0.00 C ATOM 844 CG1 VAL A 80 -3.972 -2.703 -1.681 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.688 -4.302 -2.549 1.00 0.00 C ATOM 0 H VAL A 80 -5.189 -5.465 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.691 -2.575 0.471 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.067 -2.263 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.694 -2.463 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.805 -1.832 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.363 -3.534 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.403 -4.045 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.086 -5.144 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.743 -4.576 -2.525 1.00 0.00 H new ATOM 855 N LYS A 81 -8.174 -2.855 0.235 1.00 0.00 N ATOM 856 CA LYS A 81 -9.631 -3.151 0.354 1.00 0.00 C ATOM 857 C LYS A 81 -10.460 -2.166 -0.481 1.00 0.00 C ATOM 858 O LYS A 81 -10.047 -1.053 -0.746 1.00 0.00 O ATOM 859 CB LYS A 81 -9.958 -2.994 1.844 1.00 0.00 C ATOM 860 CG LYS A 81 -10.379 -4.343 2.432 1.00 0.00 C ATOM 861 CD LYS A 81 -11.725 -4.199 3.140 1.00 0.00 C ATOM 862 CE LYS A 81 -12.851 -4.260 2.103 1.00 0.00 C ATOM 863 NZ LYS A 81 -13.227 -2.841 1.837 1.00 0.00 N ATOM 0 H LYS A 81 -7.913 -1.886 0.420 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.868 -4.149 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.088 -2.611 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.758 -2.265 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.452 -5.089 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.624 -4.696 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.849 -4.994 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.765 -3.254 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.518 -4.755 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.702 -4.827 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.238 -2.789 1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.041 -2.268 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.664 -2.476 1.042 1.00 0.00 H new ATOM 877 N GLU A 82 -11.634 -2.585 -0.886 1.00 0.00 N ATOM 878 CA GLU A 82 -12.538 -1.710 -1.704 1.00 0.00 C ATOM 879 C GLU A 82 -12.968 -0.452 -0.924 1.00 0.00 C ATOM 880 O GLU A 82 -13.170 -0.490 0.277 1.00 0.00 O ATOM 881 CB GLU A 82 -13.763 -2.591 -1.981 1.00 0.00 C ATOM 882 CG GLU A 82 -14.155 -2.505 -3.457 1.00 0.00 C ATOM 883 CD GLU A 82 -15.556 -3.099 -3.647 1.00 0.00 C ATOM 884 OE1 GLU A 82 -15.649 -4.301 -3.843 1.00 0.00 O ATOM 885 OE2 GLU A 82 -16.511 -2.342 -3.589 1.00 0.00 O ATOM 0 H GLU A 82 -12.012 -3.510 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.044 -1.355 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.543 -3.625 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.598 -2.272 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.140 -1.467 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.433 -3.046 -4.069 1.00 0.00 H new ATOM 892 N THR A 83 -13.134 0.654 -1.612 1.00 0.00 N ATOM 893 CA THR A 83 -13.583 1.922 -0.943 1.00 0.00 C ATOM 894 C THR A 83 -15.000 2.274 -1.420 1.00 0.00 C ATOM 895 O THR A 83 -15.550 1.613 -2.282 1.00 0.00 O ATOM 896 CB THR A 83 -12.594 3.011 -1.390 1.00 0.00 C ATOM 897 OG1 THR A 83 -12.586 3.104 -2.810 1.00 0.00 O ATOM 898 CG2 THR A 83 -11.188 2.678 -0.893 1.00 0.00 C ATOM 0 H THR A 83 -12.977 0.735 -2.617 1.00 0.00 H new ATOM 0 HA THR A 83 -13.603 1.825 0.142 1.00 0.00 H new ATOM 0 HB THR A 83 -12.907 3.965 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.538 4.046 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.495 3.455 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.191 2.622 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.874 1.719 -1.305 1.00 0.00 H new ATOM 906 N VAL A 84 -15.592 3.312 -0.884 1.00 0.00 N ATOM 907 CA VAL A 84 -16.972 3.697 -1.331 1.00 0.00 C ATOM 908 C VAL A 84 -16.935 4.346 -2.727 1.00 0.00 C ATOM 909 O VAL A 84 -17.949 4.448 -3.391 1.00 0.00 O ATOM 910 CB VAL A 84 -17.496 4.700 -0.289 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.485 4.064 1.104 1.00 0.00 C ATOM 912 CG2 VAL A 84 -16.621 5.958 -0.287 1.00 0.00 C ATOM 0 H VAL A 84 -15.186 3.907 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.618 2.822 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.518 4.974 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.858 4.782 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.123 3.180 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.466 3.777 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.999 6.663 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.595 5.687 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.646 6.420 -1.274 1.00 0.00 H new ATOM 922 N CYS A 85 -15.783 4.795 -3.173 1.00 0.00 N ATOM 923 CA CYS A 85 -15.699 5.447 -4.517 1.00 0.00 C ATOM 924 C CYS A 85 -15.364 4.427 -5.611 1.00 0.00 C ATOM 925 O CYS A 85 -14.509 3.579 -5.428 1.00 0.00 O ATOM 926 CB CYS A 85 -14.570 6.467 -4.400 1.00 0.00 C ATOM 927 SG CYS A 85 -15.189 7.972 -3.615 1.00 0.00 S ATOM 0 H CYS A 85 -14.901 4.737 -2.664 1.00 0.00 H new ATOM 0 HA CYS A 85 -16.650 5.903 -4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.750 6.051 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -14.172 6.698 -5.388 1.00 0.00 H new ATOM 932 N PRO A 86 -16.040 4.562 -6.728 1.00 0.00 N ATOM 933 CA PRO A 86 -15.802 3.661 -7.884 1.00 0.00 C ATOM 934 C PRO A 86 -14.505 4.060 -8.606 1.00 0.00 C ATOM 935 O PRO A 86 -13.687 4.788 -8.075 1.00 0.00 O ATOM 936 CB PRO A 86 -17.019 3.895 -8.776 1.00 0.00 C ATOM 937 CG PRO A 86 -17.505 5.267 -8.433 1.00 0.00 C ATOM 938 CD PRO A 86 -17.086 5.556 -7.013 1.00 0.00 C ATOM 0 HA PRO A 86 -15.686 2.615 -7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.752 3.825 -9.831 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.791 3.147 -8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.082 6.005 -9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.589 5.325 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.706 6.572 -6.910 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.925 5.458 -6.324 1.00 0.00 H new ATOM 946 N ARG A 87 -14.311 3.583 -9.807 1.00 0.00 N ATOM 947 CA ARG A 87 -13.071 3.928 -10.563 1.00 0.00 C ATOM 948 C ARG A 87 -13.387 4.155 -12.051 1.00 0.00 C ATOM 949 O ARG A 87 -14.306 3.556 -12.579 1.00 0.00 O ATOM 950 CB ARG A 87 -12.166 2.707 -10.384 1.00 0.00 C ATOM 951 CG ARG A 87 -11.040 3.040 -9.406 1.00 0.00 C ATOM 952 CD ARG A 87 -9.689 2.857 -10.101 1.00 0.00 C ATOM 953 NE ARG A 87 -8.841 2.149 -9.098 1.00 0.00 N ATOM 954 CZ ARG A 87 -8.937 0.850 -8.922 1.00 0.00 C ATOM 955 NH1 ARG A 87 -9.713 0.121 -9.685 1.00 0.00 N ATOM 956 NH2 ARG A 87 -8.247 0.278 -7.972 1.00 0.00 N ATOM 0 H ARG A 87 -14.959 2.968 -10.298 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.607 4.847 -10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.747 1.863 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.749 2.407 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.143 4.066 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.101 2.393 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.790 2.274 -11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.254 3.817 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.175 2.682 -8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.254 0.560 -10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.776 -0.886 -9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.640 0.839 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.315 -0.729 -7.828 1.00 0.00 H new ATOM 970 N PRO A 88 -12.608 5.004 -12.694 1.00 0.00 N ATOM 971 CA PRO A 88 -11.490 5.723 -12.024 1.00 0.00 C ATOM 972 C PRO A 88 -11.990 7.020 -11.366 1.00 0.00 C ATOM 973 O PRO A 88 -12.704 7.795 -11.974 1.00 0.00 O ATOM 974 CB PRO A 88 -10.547 6.046 -13.177 1.00 0.00 C ATOM 975 CG PRO A 88 -11.406 6.088 -14.408 1.00 0.00 C ATOM 976 CD PRO A 88 -12.696 5.357 -14.113 1.00 0.00 C ATOM 0 HA PRO A 88 -11.024 5.140 -11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.046 7.001 -13.017 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.768 5.289 -13.269 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.611 7.120 -14.693 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.889 5.623 -15.247 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -13.563 5.988 -14.311 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.799 4.469 -14.736 1.00 0.00 H new ATOM 984 N THR A 89 -11.607 7.272 -10.137 1.00 0.00 N ATOM 985 CA THR A 89 -12.050 8.530 -9.461 1.00 0.00 C ATOM 986 C THR A 89 -11.036 9.648 -9.751 1.00 0.00 C ATOM 987 O THR A 89 -9.866 9.389 -9.966 1.00 0.00 O ATOM 988 CB THR A 89 -12.096 8.204 -7.958 1.00 0.00 C ATOM 989 OG1 THR A 89 -13.257 7.435 -7.678 1.00 0.00 O ATOM 990 CG2 THR A 89 -12.145 9.496 -7.135 1.00 0.00 C ATOM 0 H THR A 89 -11.010 6.664 -9.576 1.00 0.00 H new ATOM 0 HA THR A 89 -13.023 8.872 -9.814 1.00 0.00 H new ATOM 0 HB THR A 89 -11.200 7.643 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.096 6.500 -7.922 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.177 9.250 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.257 10.093 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.036 10.065 -7.403 1.00 0.00 H new ATOM 998 N ARG A 90 -11.474 10.881 -9.758 1.00 0.00 N ATOM 999 CA ARG A 90 -10.535 12.013 -10.038 1.00 0.00 C ATOM 1000 C ARG A 90 -9.406 12.039 -8.999 1.00 0.00 C ATOM 1001 O ARG A 90 -8.242 12.085 -9.343 1.00 0.00 O ATOM 1002 CB ARG A 90 -11.390 13.281 -9.939 1.00 0.00 C ATOM 1003 CG ARG A 90 -12.245 13.421 -11.202 1.00 0.00 C ATOM 1004 CD ARG A 90 -13.484 14.265 -10.892 1.00 0.00 C ATOM 1005 NE ARG A 90 -14.397 14.049 -12.050 1.00 0.00 N ATOM 1006 CZ ARG A 90 -14.550 14.987 -12.946 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -15.444 15.924 -12.761 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -13.811 14.988 -14.024 1.00 0.00 N ATOM 0 H ARG A 90 -12.441 11.154 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.062 11.920 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.030 13.233 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.750 14.156 -9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.664 13.888 -11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.544 12.437 -11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.951 13.953 -9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.227 15.319 -10.783 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.903 13.168 -12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.019 15.921 -11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.566 16.658 -13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.115 14.256 -14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.931 15.721 -14.724 1.00 0.00 H new ATOM 1022 N GLN A 91 -9.744 12.009 -7.733 1.00 0.00 N ATOM 1023 CA GLN A 91 -8.695 12.031 -6.670 1.00 0.00 C ATOM 1024 C GLN A 91 -8.296 10.597 -6.272 1.00 0.00 C ATOM 1025 O GLN A 91 -8.894 9.639 -6.727 1.00 0.00 O ATOM 1026 CB GLN A 91 -9.348 12.764 -5.493 1.00 0.00 C ATOM 1027 CG GLN A 91 -8.975 14.249 -5.541 1.00 0.00 C ATOM 1028 CD GLN A 91 -10.196 15.074 -5.958 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -10.897 15.608 -5.123 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -10.483 15.199 -7.224 1.00 0.00 N ATOM 0 H GLN A 91 -10.704 11.970 -7.391 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.780 12.523 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.431 12.649 -5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.018 12.326 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.619 14.576 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.159 14.406 -6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -9.895 14.751 -7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.295 15.745 -7.511 1.00 0.00 H new ATOM 1039 N PRO A 92 -7.285 10.502 -5.434 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.785 9.176 -4.966 1.00 0.00 C ATOM 1041 C PRO A 92 -7.785 8.508 -4.004 1.00 0.00 C ATOM 1042 O PRO A 92 -8.731 9.132 -3.557 1.00 0.00 O ATOM 1043 CB PRO A 92 -5.482 9.524 -4.244 1.00 0.00 C ATOM 1044 CG PRO A 92 -5.638 10.949 -3.826 1.00 0.00 C ATOM 1045 CD PRO A 92 -6.517 11.613 -4.849 1.00 0.00 C ATOM 0 HA PRO A 92 -6.647 8.466 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.323 8.875 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.621 9.398 -4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.085 11.013 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.668 11.443 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.173 12.354 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.928 12.132 -5.605 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.530 7.248 -3.704 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.410 6.488 -2.772 1.00 0.00 C ATOM 1055 C PRO A 93 -8.347 7.074 -1.353 1.00 0.00 C ATOM 1056 O PRO A 93 -9.294 6.973 -0.595 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.844 5.067 -2.821 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.426 5.238 -3.257 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.412 6.422 -4.188 1.00 0.00 C ATOM 0 HA PRO A 93 -9.463 6.527 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.903 4.584 -1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.401 4.443 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.773 5.408 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.063 4.342 -3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.465 6.960 -4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.555 6.120 -5.225 1.00 0.00 H new ATOM 1067 N GLU A 94 -7.250 7.701 -0.995 1.00 0.00 N ATOM 1068 CA GLU A 94 -7.143 8.314 0.369 1.00 0.00 C ATOM 1069 C GLU A 94 -8.167 9.452 0.524 1.00 0.00 C ATOM 1070 O GLU A 94 -8.551 9.803 1.623 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.706 8.851 0.476 1.00 0.00 C ATOM 1072 CG GLU A 94 -5.402 9.810 -0.684 1.00 0.00 C ATOM 1073 CD GLU A 94 -4.930 11.160 -0.134 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -3.970 11.170 0.622 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -5.536 12.160 -0.475 1.00 0.00 O ATOM 0 H GLU A 94 -6.427 7.814 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.353 7.590 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.575 9.368 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.000 8.021 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.635 9.382 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.293 9.948 -1.296 1.00 0.00 H new ATOM 1082 N LEU A 95 -8.616 10.019 -0.573 1.00 0.00 N ATOM 1083 CA LEU A 95 -9.620 11.123 -0.505 1.00 0.00 C ATOM 1084 C LEU A 95 -11.020 10.561 -0.207 1.00 0.00 C ATOM 1085 O LEU A 95 -11.837 11.213 0.416 1.00 0.00 O ATOM 1086 CB LEU A 95 -9.586 11.764 -1.899 1.00 0.00 C ATOM 1087 CG LEU A 95 -10.703 12.805 -2.028 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -10.093 14.175 -2.330 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -11.647 12.398 -3.165 1.00 0.00 C ATOM 0 H LEU A 95 -8.326 9.760 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.395 11.838 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.618 12.236 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.704 10.996 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.262 12.859 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.888 14.915 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.422 14.461 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.533 14.126 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -12.443 13.137 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.089 12.345 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.081 11.423 -2.946 1.00 0.00 H new ATOM 1101 N CYS A 96 -11.301 9.364 -0.661 1.00 0.00 N ATOM 1102 CA CYS A 96 -12.648 8.758 -0.424 1.00 0.00 C ATOM 1103 C CYS A 96 -12.660 7.922 0.863 1.00 0.00 C ATOM 1104 O CYS A 96 -11.665 7.816 1.556 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.895 7.879 -1.650 1.00 0.00 C ATOM 1106 SG CYS A 96 -13.514 8.912 -3.002 1.00 0.00 S ATOM 0 H CYS A 96 -10.653 8.779 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 96 -13.422 9.515 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.972 7.382 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -13.616 7.097 -1.413 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.789 7.339 1.190 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.885 6.520 2.439 1.00 0.00 C ATOM 1113 C ASP A 97 -13.297 5.116 2.224 1.00 0.00 C ATOM 1114 O ASP A 97 -12.561 4.872 1.285 1.00 0.00 O ATOM 1115 CB ASP A 97 -15.385 6.431 2.764 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.995 7.834 2.861 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -15.423 8.667 3.546 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -17.028 8.050 2.249 1.00 0.00 O ATOM 0 H ASP A 97 -14.649 7.396 0.644 1.00 0.00 H new ATOM 0 HA ASP A 97 -13.320 6.973 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.897 5.857 1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.529 5.899 3.704 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.616 4.200 3.104 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.088 2.809 2.997 1.00 0.00 C ATOM 1125 C PHE A 98 -14.138 1.822 3.522 1.00 0.00 C ATOM 1126 O PHE A 98 -14.700 2.017 4.582 1.00 0.00 O ATOM 1127 CB PHE A 98 -11.856 2.814 3.904 1.00 0.00 C ATOM 1128 CG PHE A 98 -10.888 1.725 3.507 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -10.440 1.624 2.186 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -10.422 0.826 4.473 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.531 0.623 1.831 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -9.510 -0.173 4.118 1.00 0.00 C ATOM 1133 CZ PHE A 98 -9.064 -0.274 2.797 1.00 0.00 C ATOM 0 H PHE A 98 -14.229 4.362 3.903 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.851 2.512 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.362 3.784 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.162 2.673 4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -10.796 2.319 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.767 0.904 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.189 0.542 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -9.150 -0.866 4.864 1.00 0.00 H new ATOM 0 HZ PHE A 98 -8.359 -1.045 2.522 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.411 0.770 2.795 1.00 0.00 N ATOM 1144 CA LYS A 99 -15.431 -0.217 3.271 1.00 0.00 C ATOM 1145 C LYS A 99 -14.757 -1.371 4.013 1.00 0.00 C ATOM 1146 O LYS A 99 -13.550 -1.527 3.978 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.136 -0.738 2.012 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.890 0.405 1.327 1.00 0.00 C ATOM 1149 CD LYS A 99 -18.203 -0.126 0.742 1.00 0.00 C ATOM 1150 CE LYS A 99 -19.371 0.272 1.652 1.00 0.00 C ATOM 1151 NZ LYS A 99 -20.577 -0.358 1.040 1.00 0.00 N ATOM 0 H LYS A 99 -13.977 0.551 1.899 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.134 0.245 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.405 -1.166 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -16.830 -1.536 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.094 1.201 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.276 0.837 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -18.356 0.277 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -18.157 -1.211 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -19.215 -0.083 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -19.477 1.356 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -21.416 -0.128 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -20.705 0.004 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -20.452 -1.390 1.009 1.00 0.00 H new ATOM 1165 N GLU A 100 -15.532 -2.184 4.674 1.00 0.00 N ATOM 1166 CA GLU A 100 -14.958 -3.350 5.413 1.00 0.00 C ATOM 1167 C GLU A 100 -15.311 -4.648 4.678 1.00 0.00 C ATOM 1168 O GLU A 100 -14.470 -5.502 4.473 1.00 0.00 O ATOM 1169 CB GLU A 100 -15.617 -3.305 6.796 1.00 0.00 C ATOM 1170 CG GLU A 100 -15.146 -4.495 7.640 1.00 0.00 C ATOM 1171 CD GLU A 100 -14.061 -4.035 8.616 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -12.908 -4.007 8.218 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -14.404 -3.719 9.743 1.00 0.00 O ATOM 0 H GLU A 100 -16.546 -2.093 4.736 1.00 0.00 H new ATOM 0 HA GLU A 100 -13.871 -3.311 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -15.365 -2.371 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -16.702 -3.329 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.987 -4.920 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.758 -5.282 6.993 1.00 0.00 H new ATOM 1180 N ASN A 101 -16.549 -4.794 4.274 1.00 0.00 N ATOM 1181 CA ASN A 101 -16.965 -6.030 3.541 1.00 0.00 C ATOM 1182 C ASN A 101 -16.565 -5.942 2.057 1.00 0.00 C ATOM 1183 O ASN A 101 -16.746 -6.886 1.312 1.00 0.00 O ATOM 1184 CB ASN A 101 -18.491 -6.103 3.692 1.00 0.00 C ATOM 1185 CG ASN A 101 -18.862 -6.086 5.177 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -18.706 -7.074 5.866 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -19.346 -4.995 5.707 1.00 0.00 N ATOM 0 H ASN A 101 -17.291 -4.109 4.421 1.00 0.00 H new ATOM 0 HA ASN A 101 -16.479 -6.920 3.941 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -18.958 -5.261 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -18.870 -7.011 3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -19.592 -4.974 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -19.478 -4.164 5.131 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.014 -4.824 1.619 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.597 -4.697 0.189 1.00 0.00 C ATOM 1196 C GLY A 102 -14.572 -5.785 -0.149 1.00 0.00 C ATOM 1197 O GLY A 102 -14.071 -6.475 0.722 1.00 0.00 O ATOM 0 H GLY A 102 -15.839 -4.000 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.466 -4.788 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.167 -3.711 0.012 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.253 -5.938 -1.405 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.257 -6.978 -1.812 1.00 0.00 C ATOM 1203 C ARG A 103 -11.886 -6.686 -1.186 1.00 0.00 C ATOM 1204 O ARG A 103 -11.450 -5.552 -1.123 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.185 -6.881 -3.340 1.00 0.00 C ATOM 1206 CG ARG A 103 -12.031 -7.742 -3.871 1.00 0.00 C ATOM 1207 CD ARG A 103 -12.314 -9.221 -3.585 1.00 0.00 C ATOM 1208 NE ARG A 103 -12.776 -9.787 -4.885 1.00 0.00 N ATOM 1209 CZ ARG A 103 -14.045 -9.774 -5.190 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -14.806 -10.778 -4.844 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -14.551 -8.758 -5.841 1.00 0.00 N ATOM 0 H ARG A 103 -14.639 -5.387 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.545 -7.975 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.127 -7.212 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.042 -5.843 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.912 -7.586 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.095 -7.443 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.419 -9.732 -3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.075 -9.335 -2.813 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.100 -10.185 -5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.408 -11.569 -4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.798 -10.771 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.954 -7.976 -6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.543 -8.748 -6.079 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.205 -7.709 -0.733 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.856 -7.515 -0.118 1.00 0.00 C ATOM 1227 C VAL A 104 -8.823 -8.367 -0.868 1.00 0.00 C ATOM 1228 O VAL A 104 -8.993 -9.563 -1.017 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.992 -7.992 1.336 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -8.800 -7.484 2.150 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -11.290 -7.452 1.953 1.00 0.00 C ATOM 0 H VAL A 104 -11.528 -8.676 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.525 -6.478 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.016 -9.082 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.894 -7.821 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.876 -7.874 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.780 -6.394 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.374 -7.797 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.275 -6.362 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.143 -7.813 1.379 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.759 -7.767 -1.346 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.730 -8.557 -2.092 1.00 0.00 C ATOM 1243 C LYS A 105 -5.312 -8.098 -1.727 1.00 0.00 C ATOM 1244 O LYS A 105 -5.048 -6.921 -1.578 1.00 0.00 O ATOM 1245 CB LYS A 105 -7.019 -8.289 -3.573 1.00 0.00 C ATOM 1246 CG LYS A 105 -8.039 -9.307 -4.093 1.00 0.00 C ATOM 1247 CD LYS A 105 -7.958 -9.388 -5.622 1.00 0.00 C ATOM 1248 CE LYS A 105 -7.730 -10.843 -6.049 1.00 0.00 C ATOM 1249 NZ LYS A 105 -7.008 -10.767 -7.352 1.00 0.00 N ATOM 0 H LYS A 105 -7.560 -6.771 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.781 -9.618 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.403 -7.277 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.097 -8.356 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.844 -10.287 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.044 -9.017 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.878 -9.008 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.145 -8.760 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.143 -11.383 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.676 -11.374 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.388 -11.485 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.138 -9.822 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.994 -10.941 -7.198 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.395 -9.026 -1.584 1.00 0.00 N ATOM 1264 CA GLN A 106 -2.990 -8.648 -1.233 1.00 0.00 C ATOM 1265 C GLN A 106 -2.158 -8.489 -2.507 1.00 0.00 C ATOM 1266 O GLN A 106 -1.802 -9.457 -3.153 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.451 -9.794 -0.376 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.278 -9.278 0.466 1.00 0.00 C ATOM 1269 CD GLN A 106 -0.232 -10.383 0.656 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -0.268 -11.398 -0.010 1.00 0.00 O ATOM 1271 NE2 GLN A 106 0.710 -10.222 1.543 1.00 0.00 N ATOM 0 H GLN A 106 -4.559 -10.027 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.945 -7.700 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.237 -10.182 0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.125 -10.618 -1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.822 -8.417 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.640 -8.940 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.742 -9.370 2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.414 -10.948 1.676 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.847 -7.269 -2.870 1.00 0.00 N ATOM 1281 CA CYS A 107 -1.043 -7.029 -4.106 1.00 0.00 C ATOM 1282 C CYS A 107 0.455 -7.075 -3.797 1.00 0.00 C ATOM 1283 O CYS A 107 0.956 -6.339 -2.965 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.454 -5.640 -4.591 1.00 0.00 C ATOM 1285 SG CYS A 107 -2.773 -5.805 -5.819 1.00 0.00 S ATOM 0 H CYS A 107 -2.117 -6.427 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.225 -7.792 -4.862 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.796 -5.035 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.597 -5.126 -5.027 1.00 0.00 H new ATOM 1290 N VAL A 108 1.171 -7.937 -4.472 1.00 0.00 N ATOM 1291 CA VAL A 108 2.640 -8.049 -4.241 1.00 0.00 C ATOM 1292 C VAL A 108 3.399 -7.926 -5.571 1.00 0.00 C ATOM 1293 O VAL A 108 2.990 -8.459 -6.584 1.00 0.00 O ATOM 1294 CB VAL A 108 2.861 -9.435 -3.618 1.00 0.00 C ATOM 1295 CG1 VAL A 108 2.167 -9.507 -2.254 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.291 -10.522 -4.536 1.00 0.00 C ATOM 0 H VAL A 108 0.797 -8.572 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 108 3.008 -7.257 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 108 3.931 -9.597 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.327 -10.492 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.582 -8.745 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.098 -9.335 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.453 -11.501 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.222 -10.358 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.792 -10.481 -5.503 1.00 0.00 H new ATOM 1306 N GLY A 109 4.502 -7.227 -5.565 1.00 0.00 N ATOM 1307 CA GLY A 109 5.302 -7.060 -6.820 1.00 0.00 C ATOM 1308 C GLY A 109 6.744 -6.697 -6.464 1.00 0.00 C ATOM 1309 O GLY A 109 7.131 -6.731 -5.313 1.00 0.00 O ATOM 0 H GLY A 109 4.888 -6.761 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.281 -7.981 -7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.863 -6.280 -7.442 1.00 0.00 H new ATOM 1313 N THR A 110 7.546 -6.350 -7.440 1.00 0.00 N ATOM 1314 CA THR A 110 8.969 -5.987 -7.141 1.00 0.00 C ATOM 1315 C THR A 110 9.375 -4.697 -7.861 1.00 0.00 C ATOM 1316 O THR A 110 9.206 -4.555 -9.059 1.00 0.00 O ATOM 1317 CB THR A 110 9.820 -7.163 -7.630 1.00 0.00 C ATOM 1318 OG1 THR A 110 9.407 -7.548 -8.935 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.670 -8.347 -6.673 1.00 0.00 C ATOM 0 H THR A 110 7.281 -6.302 -8.424 1.00 0.00 H new ATOM 0 HA THR A 110 9.108 -5.806 -6.075 1.00 0.00 H new ATOM 0 HB THR A 110 10.866 -6.856 -7.660 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.312 -6.751 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.278 -9.180 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.001 -8.054 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.624 -8.652 -6.633 1.00 0.00 H new ATOM 1327 N VAL A 111 9.926 -3.767 -7.124 1.00 0.00 N ATOM 1328 CA VAL A 111 10.376 -2.468 -7.718 1.00 0.00 C ATOM 1329 C VAL A 111 11.603 -1.963 -6.953 1.00 0.00 C ATOM 1330 O VAL A 111 11.644 -2.017 -5.740 1.00 0.00 O ATOM 1331 CB VAL A 111 9.200 -1.492 -7.543 1.00 0.00 C ATOM 1332 CG1 VAL A 111 8.046 -1.902 -8.458 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.718 -1.499 -6.084 1.00 0.00 C ATOM 0 H VAL A 111 10.086 -3.852 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 111 10.650 -2.569 -8.768 1.00 0.00 H new ATOM 0 HB VAL A 111 9.536 -0.489 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.216 -1.207 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.379 -1.882 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.719 -2.910 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.885 -0.804 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.391 -2.503 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.535 -1.194 -5.430 1.00 0.00 H new ATOM 1343 N THR A 112 12.607 -1.479 -7.639 1.00 0.00 N ATOM 1344 CA THR A 112 13.824 -0.984 -6.916 1.00 0.00 C ATOM 1345 C THR A 112 13.534 0.351 -6.217 1.00 0.00 C ATOM 1346 O THR A 112 12.648 1.088 -6.605 1.00 0.00 O ATOM 1347 CB THR A 112 14.916 -0.819 -7.985 1.00 0.00 C ATOM 1348 OG1 THR A 112 16.146 -0.488 -7.350 1.00 0.00 O ATOM 1349 CG2 THR A 112 14.534 0.292 -8.970 1.00 0.00 C ATOM 0 H THR A 112 12.640 -1.404 -8.656 1.00 0.00 H new ATOM 0 HA THR A 112 14.136 -1.681 -6.138 1.00 0.00 H new ATOM 0 HB THR A 112 15.021 -1.754 -8.534 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.846 -0.383 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 112 15.317 0.397 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 112 13.594 0.037 -9.459 1.00 0.00 H new ATOM 0 HG23 THR A 112 14.419 1.233 -8.431 1.00 0.00 H new ATOM 1357 N LEU A 113 14.282 0.657 -5.186 1.00 0.00 N ATOM 1358 CA LEU A 113 14.069 1.939 -4.445 1.00 0.00 C ATOM 1359 C LEU A 113 15.071 3.013 -4.908 1.00 0.00 C ATOM 1360 O LEU A 113 14.895 4.186 -4.637 1.00 0.00 O ATOM 1361 CB LEU A 113 14.304 1.577 -2.977 1.00 0.00 C ATOM 1362 CG LEU A 113 13.998 2.780 -2.080 1.00 0.00 C ATOM 1363 CD1 LEU A 113 12.858 2.427 -1.120 1.00 0.00 C ATOM 1364 CD2 LEU A 113 15.251 3.143 -1.276 1.00 0.00 C ATOM 0 H LEU A 113 15.035 0.071 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 113 13.076 2.355 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.671 0.735 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.337 1.261 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 113 13.700 3.628 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.641 3.284 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.968 2.166 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.153 1.579 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 113 15.037 3.999 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.546 2.294 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 113 16.062 3.395 -1.960 1.00 0.00 H new ATOM 1376 N ASP A 114 16.117 2.624 -5.601 1.00 0.00 N ATOM 1377 CA ASP A 114 17.123 3.627 -6.075 1.00 0.00 C ATOM 1378 C ASP A 114 16.500 4.549 -7.133 1.00 0.00 C ATOM 1379 O ASP A 114 16.736 5.744 -7.141 1.00 0.00 O ATOM 1380 CB ASP A 114 18.268 2.796 -6.680 1.00 0.00 C ATOM 1381 CG ASP A 114 19.102 2.133 -5.569 1.00 0.00 C ATOM 1382 OD1 ASP A 114 18.717 2.219 -4.411 1.00 0.00 O ATOM 1383 OD2 ASP A 114 20.119 1.545 -5.899 1.00 0.00 O ATOM 0 H ASP A 114 16.316 1.657 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 114 17.474 4.269 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.860 2.032 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.907 3.436 -7.289 1.00 0.00 H new ATOM 1388 N GLN A 115 15.697 4.000 -8.012 1.00 0.00 N ATOM 1389 CA GLN A 115 15.037 4.825 -9.064 1.00 0.00 C ATOM 1390 C GLN A 115 13.577 4.384 -9.217 1.00 0.00 C ATOM 1391 O GLN A 115 13.283 3.208 -9.337 1.00 0.00 O ATOM 1392 CB GLN A 115 15.832 4.573 -10.357 1.00 0.00 C ATOM 1393 CG GLN A 115 15.988 3.067 -10.613 1.00 0.00 C ATOM 1394 CD GLN A 115 15.950 2.791 -12.120 1.00 0.00 C ATOM 1395 OE1 GLN A 115 14.891 2.614 -12.690 1.00 0.00 O ATOM 1396 NE2 GLN A 115 17.069 2.744 -12.794 1.00 0.00 N ATOM 0 H GLN A 115 15.471 3.006 -8.043 1.00 0.00 H new ATOM 0 HA GLN A 115 15.030 5.886 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.322 5.039 -11.200 1.00 0.00 H new ATOM 0 HB3 GLN A 115 16.815 5.038 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 115 16.929 2.713 -10.193 1.00 0.00 H new ATOM 0 HG3 GLN A 115 15.189 2.519 -10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.958 2.892 -12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.053 2.559 -13.797 1.00 0.00 H new ATOM 1405 N ILE A 116 12.661 5.318 -9.202 1.00 0.00 N ATOM 1406 CA ILE A 116 11.213 4.961 -9.338 1.00 0.00 C ATOM 1407 C ILE A 116 10.979 4.207 -10.655 1.00 0.00 C ATOM 1408 O ILE A 116 11.159 4.748 -11.730 1.00 0.00 O ATOM 1409 CB ILE A 116 10.459 6.298 -9.339 1.00 0.00 C ATOM 1410 CG1 ILE A 116 10.660 7.004 -7.993 1.00 0.00 C ATOM 1411 CG2 ILE A 116 8.965 6.046 -9.560 1.00 0.00 C ATOM 1412 CD1 ILE A 116 11.028 8.470 -8.235 1.00 0.00 C ATOM 0 H ILE A 116 12.852 6.315 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 116 10.873 4.311 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 116 10.845 6.927 -10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 116 9.749 6.940 -7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 116 11.448 6.509 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.432 6.997 -9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.818 5.547 -10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.580 5.414 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.171 8.972 -7.278 1.00 0.00 H new ATOM 0 HD12 ILE A 116 11.950 8.523 -8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.225 8.960 -8.786 1.00 0.00 H new ATOM 1424 N LYS A 117 10.591 2.959 -10.572 1.00 0.00 N ATOM 1425 CA LYS A 117 10.353 2.162 -11.812 1.00 0.00 C ATOM 1426 C LYS A 117 8.851 2.055 -12.097 1.00 0.00 C ATOM 1427 O LYS A 117 8.047 1.929 -11.192 1.00 0.00 O ATOM 1428 CB LYS A 117 10.939 0.780 -11.520 1.00 0.00 C ATOM 1429 CG LYS A 117 11.307 0.091 -12.838 1.00 0.00 C ATOM 1430 CD LYS A 117 12.773 -0.339 -12.798 1.00 0.00 C ATOM 1431 CE LYS A 117 13.267 -0.608 -14.223 1.00 0.00 C ATOM 1432 NZ LYS A 117 14.736 -0.347 -14.183 1.00 0.00 N ATOM 0 H LYS A 117 10.429 2.458 -9.698 1.00 0.00 H new ATOM 0 HA LYS A 117 10.811 2.623 -12.687 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.822 0.874 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.217 0.176 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.667 -0.777 -12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.139 0.769 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.378 0.439 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.883 -1.236 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.057 -1.634 -14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.771 0.044 -14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 15.126 -0.412 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.909 0.605 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.197 -1.052 -13.574 1.00 0.00 H new ATOM 1446 N ASP A 118 8.471 2.102 -13.350 1.00 0.00 N ATOM 1447 CA ASP A 118 7.024 2.001 -13.702 1.00 0.00 C ATOM 1448 C ASP A 118 6.854 1.326 -15.075 1.00 0.00 C ATOM 1449 O ASP A 118 7.718 1.433 -15.926 1.00 0.00 O ATOM 1450 CB ASP A 118 6.514 3.452 -13.730 1.00 0.00 C ATOM 1451 CG ASP A 118 7.067 4.190 -14.956 1.00 0.00 C ATOM 1452 OD1 ASP A 118 8.254 4.474 -14.972 1.00 0.00 O ATOM 1453 OD2 ASP A 118 6.288 4.464 -15.855 1.00 0.00 O ATOM 0 H ASP A 118 9.103 2.206 -14.144 1.00 0.00 H new ATOM 0 HA ASP A 118 6.466 1.395 -12.988 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.424 3.461 -13.753 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.817 3.968 -12.819 1.00 0.00 H new ATOM 1458 N PRO A 119 5.740 0.648 -15.252 1.00 0.00 N ATOM 1459 CA PRO A 119 4.706 0.541 -14.184 1.00 0.00 C ATOM 1460 C PRO A 119 5.134 -0.460 -13.097 1.00 0.00 C ATOM 1461 O PRO A 119 6.146 -1.125 -13.212 1.00 0.00 O ATOM 1462 CB PRO A 119 3.475 0.031 -14.928 1.00 0.00 C ATOM 1463 CG PRO A 119 4.007 -0.684 -16.129 1.00 0.00 C ATOM 1464 CD PRO A 119 5.345 -0.075 -16.468 1.00 0.00 C ATOM 0 HA PRO A 119 4.535 1.486 -13.669 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.886 -0.638 -14.301 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.822 0.854 -15.218 1.00 0.00 H new ATOM 0 HG2 PRO A 119 4.112 -1.749 -15.925 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.319 -0.587 -16.968 1.00 0.00 H new ATOM 0 HD2 PRO A 119 6.075 -0.841 -16.729 1.00 0.00 H new ATOM 0 HD3 PRO A 119 5.270 0.597 -17.323 1.00 0.00 H new ATOM 1472 N LEU A 120 4.358 -0.572 -12.045 1.00 0.00 N ATOM 1473 CA LEU A 120 4.701 -1.530 -10.946 1.00 0.00 C ATOM 1474 C LEU A 120 4.083 -2.904 -11.231 1.00 0.00 C ATOM 1475 O LEU A 120 2.877 -3.071 -11.228 1.00 0.00 O ATOM 1476 CB LEU A 120 4.133 -0.922 -9.650 1.00 0.00 C ATOM 1477 CG LEU A 120 2.646 -0.575 -9.815 1.00 0.00 C ATOM 1478 CD1 LEU A 120 1.852 -1.105 -8.619 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.486 0.943 -9.888 1.00 0.00 C ATOM 0 H LEU A 120 3.500 -0.040 -11.900 1.00 0.00 H new ATOM 0 HA LEU A 120 5.778 -1.679 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.257 -1.627 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.693 -0.025 -9.388 1.00 0.00 H new ATOM 0 HG LEU A 120 2.271 -1.033 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.798 -0.855 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.964 -2.188 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.228 -0.650 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.431 1.192 -10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.866 1.393 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.047 1.327 -10.740 1.00 0.00 H new ATOM 1491 N ASP A 121 4.908 -3.883 -11.490 1.00 0.00 N ATOM 1492 CA ASP A 121 4.394 -5.256 -11.791 1.00 0.00 C ATOM 1493 C ASP A 121 3.998 -5.980 -10.499 1.00 0.00 C ATOM 1494 O ASP A 121 4.727 -6.811 -9.988 1.00 0.00 O ATOM 1495 CB ASP A 121 5.557 -5.978 -12.478 1.00 0.00 C ATOM 1496 CG ASP A 121 5.692 -5.482 -13.922 1.00 0.00 C ATOM 1497 OD1 ASP A 121 6.258 -4.419 -14.111 1.00 0.00 O ATOM 1498 OD2 ASP A 121 5.227 -6.176 -14.811 1.00 0.00 O ATOM 0 H ASP A 121 5.924 -3.792 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 121 3.503 -5.228 -12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.483 -5.797 -11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.387 -7.055 -12.467 1.00 0.00 H new ATOM 1503 N ILE A 122 2.844 -5.669 -9.970 1.00 0.00 N ATOM 1504 CA ILE A 122 2.385 -6.336 -8.711 1.00 0.00 C ATOM 1505 C ILE A 122 1.109 -7.150 -8.974 1.00 0.00 C ATOM 1506 O ILE A 122 0.329 -6.833 -9.853 1.00 0.00 O ATOM 1507 CB ILE A 122 2.112 -5.206 -7.704 1.00 0.00 C ATOM 1508 CG1 ILE A 122 0.980 -4.302 -8.215 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.381 -4.368 -7.505 1.00 0.00 C ATOM 1510 CD1 ILE A 122 -0.335 -4.701 -7.544 1.00 0.00 C ATOM 0 H ILE A 122 2.197 -4.981 -10.355 1.00 0.00 H new ATOM 0 HA ILE A 122 3.134 -7.030 -8.329 1.00 0.00 H new ATOM 0 HB ILE A 122 1.815 -5.649 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.208 -3.258 -7.999 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.890 -4.391 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.181 -3.569 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.181 -5.003 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.684 -3.935 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.138 -4.059 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.565 -5.740 -7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -0.241 -4.589 -6.464 1.00 0.00 H new ATOM 1522 N THR A 123 0.896 -8.200 -8.218 1.00 0.00 N ATOM 1523 CA THR A 123 -0.323 -9.043 -8.421 1.00 0.00 C ATOM 1524 C THR A 123 -1.072 -9.233 -7.096 1.00 0.00 C ATOM 1525 O THR A 123 -0.475 -9.477 -6.065 1.00 0.00 O ATOM 1526 CB THR A 123 0.201 -10.391 -8.932 1.00 0.00 C ATOM 1527 OG1 THR A 123 1.103 -10.179 -10.012 1.00 0.00 O ATOM 1528 CG2 THR A 123 -0.971 -11.251 -9.413 1.00 0.00 C ATOM 0 H THR A 123 1.515 -8.509 -7.468 1.00 0.00 H new ATOM 0 HA THR A 123 -1.023 -8.583 -9.119 1.00 0.00 H new ATOM 0 HB THR A 123 0.720 -10.902 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.436 -11.042 -10.334 1.00 0.00 H new ATOM 0 HG21 THR A 123 -0.595 -12.208 -9.775 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.661 -11.421 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 123 -1.492 -10.737 -10.220 1.00 0.00 H new ATOM 1536 N CYS A 124 -2.378 -9.139 -7.124 1.00 0.00 N ATOM 1537 CA CYS A 124 -3.176 -9.329 -5.873 1.00 0.00 C ATOM 1538 C CYS A 124 -3.663 -10.773 -5.784 1.00 0.00 C ATOM 1539 O CYS A 124 -4.248 -11.294 -6.718 1.00 0.00 O ATOM 1540 CB CYS A 124 -4.367 -8.382 -6.001 1.00 0.00 C ATOM 1541 SG CYS A 124 -4.153 -6.959 -4.901 1.00 0.00 S ATOM 0 H CYS A 124 -2.927 -8.939 -7.960 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.589 -9.123 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -4.462 -8.043 -7.032 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -5.288 -8.908 -5.752 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.431 -11.428 -4.677 1.00 0.00 N ATOM 1547 CA ASN A 125 -3.885 -12.843 -4.551 1.00 0.00 C ATOM 1548 C ASN A 125 -4.845 -13.020 -3.368 1.00 0.00 C ATOM 1549 O ASN A 125 -4.769 -13.995 -2.643 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.603 -13.657 -4.348 1.00 0.00 C ATOM 1551 CG ASN A 125 -2.206 -14.317 -5.669 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -1.387 -13.795 -6.400 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -2.754 -15.453 -6.009 1.00 0.00 N ATOM 0 H ASN A 125 -2.951 -11.048 -3.861 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.439 -13.168 -5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.800 -13.009 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.759 -14.416 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.495 -15.902 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -3.441 -15.891 -5.396 1.00 0.00 H new ATOM 1560 N GLU A 126 -5.760 -12.089 -3.196 1.00 0.00 N ATOM 1561 CA GLU A 126 -6.773 -12.166 -2.084 1.00 0.00 C ATOM 1562 C GLU A 126 -6.110 -12.162 -0.694 1.00 0.00 C ATOM 1563 O GLU A 126 -5.071 -12.757 -0.478 1.00 0.00 O ATOM 1564 CB GLU A 126 -7.545 -13.471 -2.318 1.00 0.00 C ATOM 1565 CG GLU A 126 -8.691 -13.216 -3.304 1.00 0.00 C ATOM 1566 CD GLU A 126 -8.481 -14.052 -4.572 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -7.553 -13.756 -5.309 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -9.254 -14.969 -4.787 1.00 0.00 O ATOM 0 H GLU A 126 -5.850 -11.264 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.428 -11.295 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -6.876 -14.236 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.940 -13.847 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.644 -13.473 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.735 -12.157 -3.559 1.00 0.00 H new ATOM 1575 N VAL A 127 -6.718 -11.493 0.255 1.00 0.00 N ATOM 1576 CA VAL A 127 -6.146 -11.447 1.638 1.00 0.00 C ATOM 1577 C VAL A 127 -6.879 -12.449 2.540 1.00 0.00 C ATOM 1578 O VAL A 127 -8.093 -12.530 2.531 1.00 0.00 O ATOM 1579 CB VAL A 127 -6.380 -10.015 2.139 1.00 0.00 C ATOM 1580 CG1 VAL A 127 -5.742 -9.845 3.521 1.00 0.00 C ATOM 1581 CG2 VAL A 127 -5.751 -9.013 1.170 1.00 0.00 C ATOM 0 H VAL A 127 -7.588 -10.975 0.132 1.00 0.00 H new ATOM 0 HA VAL A 127 -5.088 -11.708 1.648 1.00 0.00 H new ATOM 0 HB VAL A 127 -7.453 -9.833 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -5.909 -8.828 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -6.192 -10.551 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -4.671 -10.035 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -5.922 -7.999 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -4.679 -9.198 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -6.203 -9.126 0.185 1.00 0.00 H new ATOM 1591 N GLN A 128 -6.148 -13.208 3.321 1.00 0.00 N ATOM 1592 CA GLN A 128 -6.798 -14.203 4.230 1.00 0.00 C ATOM 1593 C GLN A 128 -7.650 -13.480 5.283 1.00 0.00 C ATOM 1594 O GLN A 128 -7.152 -12.675 6.049 1.00 0.00 O ATOM 1595 CB GLN A 128 -5.641 -14.956 4.893 1.00 0.00 C ATOM 1596 CG GLN A 128 -6.194 -16.061 5.799 1.00 0.00 C ATOM 1597 CD GLN A 128 -5.034 -16.868 6.389 1.00 0.00 C ATOM 1598 OE1 GLN A 128 -4.776 -17.977 5.967 1.00 0.00 O ATOM 1599 NE2 GLN A 128 -4.322 -16.359 7.357 1.00 0.00 N ATOM 0 H GLN A 128 -5.129 -13.181 3.368 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.464 -14.879 3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -4.992 -15.388 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.032 -14.265 5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -6.791 -15.624 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -6.854 -16.716 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -4.537 -15.428 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -3.550 -16.893 7.758 1.00 0.00 H new ATOM 1608 N GLY A 129 -8.928 -13.761 5.319 1.00 0.00 N ATOM 1609 CA GLY A 129 -9.819 -13.097 6.315 1.00 0.00 C ATOM 1610 C GLY A 129 -10.945 -14.052 6.712 1.00 0.00 C ATOM 1611 O GLY A 129 -12.074 -13.908 6.281 1.00 0.00 O ATOM 0 H GLY A 129 -9.393 -14.424 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.245 -12.809 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.236 -12.183 5.893 1.00 0.00 H new ATOM 1615 N VAL A 130 -10.642 -15.026 7.529 1.00 0.00 N ATOM 1616 CA VAL A 130 -11.689 -16.003 7.965 1.00 0.00 C ATOM 1617 C VAL A 130 -12.419 -15.492 9.220 1.00 0.00 C ATOM 1618 O VAL A 130 -13.563 -15.869 9.407 1.00 0.00 O ATOM 1619 CB VAL A 130 -10.927 -17.309 8.253 1.00 0.00 C ATOM 1620 CG1 VAL A 130 -10.121 -17.181 9.550 1.00 0.00 C ATOM 1621 CG2 VAL A 130 -11.926 -18.461 8.390 1.00 0.00 C ATOM 1622 OXT VAL A 130 -11.823 -14.730 9.969 1.00 0.00 O ATOM 0 H VAL A 130 -9.712 -15.189 7.916 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.458 -16.148 7.206 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.242 -17.507 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -9.588 -18.112 9.740 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.404 -16.365 9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -10.797 -16.974 10.380 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -11.388 -19.387 8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -12.612 -18.252 9.211 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -12.490 -18.566 7.463 1.00 0.00 H new TER 1632 VAL A 130