USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 885 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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot -103:sc= 0.785 USER MOD Set 1.3: A 109 GLN :FLIP amide:sc= -0.0636 F(o=-0.68,f=0.72) USER MOD Set 2.1: A 59 HIS : no HE2:sc= -1.9 X(o=-14,f=-14) USER MOD Set 2.2: A 115 SER OG : rot -124:sc= -0.543 USER MOD Set 2.3: A 152 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 157 HIS : no HE2:sc= -11.3! C(o=-14!,f=-16!) USER MOD Set 3.1: A 57 CYS SG : rot 3:sc= 0.0126 USER MOD Set 3.2: A 138 SER OG : rot -68:sc= -2.46! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -2.82 (180deg=-3.09) USER MOD Single : A 64 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-7.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.5! C(o=-1.5!,f=-1.9!) USER MOD Single : A 67 SER OG : rot -94:sc= 0.0505 USER MOD Single : A 71 SER OG : rot 180:sc= -0.107 USER MOD Single : A 72 SER OG : rot 157:sc= 1.09 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 155:sc= -0.664 (180deg=-1.83!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -2.54 USER MOD Single : A 82 LYS NZ :NH3+ -144:sc=-0.00106 (180deg=-0.13) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.143 F(o=-0.93,f=-0.14) USER MOD Single : A 92 TYR OH : rot -24:sc= -0.0178 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -50:sc= 0.81 USER MOD Single : A 111 SER OG : rot -130:sc= -0.138 USER MOD Single : A 113 CYS SG : rot 180:sc= -3.31! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -53:sc= 0.0392 USER MOD Single : A 129 GLN : amide:sc= -0.615 X(o=-0.62,f=-0.35) USER MOD Single : A 130 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.78) USER MOD Single : A 132 LYS NZ :NH3+ 150:sc= -0.112 (180deg=-0.89) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 146 MET CE :methyl -118:sc= -8.02! (180deg=-12.7!) USER MOD Single : A 147 SER OG : rot 120:sc= -0.293 USER MOD Single : A 154 SER OG : rot -62:sc= 2.64 USER MOD Single : A 162 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 28.447 1.845 10.585 1.00 0.00 N ATOM 2 CA GLY A 50 29.012 1.396 9.280 1.00 0.00 C ATOM 3 C GLY A 50 30.510 1.607 9.195 1.00 0.00 C ATOM 4 O GLY A 50 31.043 2.560 9.761 1.00 0.00 O ATOM 0 HA2 GLY A 50 28.788 0.339 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.525 1.939 8.470 1.00 0.00 H new ATOM 10 N GLU A 51 31.191 0.713 8.485 1.00 0.00 N ATOM 11 CA GLU A 51 32.637 0.803 8.327 1.00 0.00 C ATOM 12 C GLU A 51 33.031 0.700 6.854 1.00 0.00 C ATOM 13 O GLU A 51 32.454 -0.090 6.106 1.00 0.00 O ATOM 14 CB GLU A 51 33.328 -0.303 9.129 1.00 0.00 C ATOM 15 CG GLU A 51 34.844 -0.277 9.025 1.00 0.00 C ATOM 16 CD GLU A 51 35.473 -1.621 9.328 1.00 0.00 C ATOM 17 OE1 GLU A 51 34.750 -2.638 9.291 1.00 0.00 O ATOM 18 OE2 GLU A 51 36.691 -1.657 9.605 1.00 0.00 O ATOM 0 H GLU A 51 30.764 -0.082 8.010 1.00 0.00 H new ATOM 0 HA GLU A 51 32.959 1.773 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 51 33.043 -0.212 10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.965 -1.271 8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 51 35.130 0.035 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.239 0.468 9.715 1.00 0.00 H new ATOM 25 N PRO A 52 34.024 1.495 6.417 1.00 0.00 N ATOM 26 CA PRO A 52 34.490 1.477 5.027 1.00 0.00 C ATOM 27 C PRO A 52 35.017 0.107 4.617 1.00 0.00 C ATOM 28 O PRO A 52 35.994 -0.386 5.179 1.00 0.00 O ATOM 29 CB PRO A 52 35.619 2.516 5.001 1.00 0.00 C ATOM 30 CG PRO A 52 36.015 2.700 6.426 1.00 0.00 C ATOM 31 CD PRO A 52 34.774 2.462 7.236 1.00 0.00 C ATOM 0 HA PRO A 52 33.684 1.698 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 52 36.460 2.169 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 52 35.280 3.455 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 52 36.803 2.000 6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 52 36.405 3.704 6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 52 35.007 2.061 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 52 34.211 3.382 7.391 1.00 0.00 H new ATOM 39 N ALA A 53 34.361 -0.505 3.637 1.00 0.00 N ATOM 40 CA ALA A 53 34.762 -1.820 3.153 1.00 0.00 C ATOM 41 C ALA A 53 35.906 -1.713 2.150 1.00 0.00 C ATOM 42 O ALA A 53 36.752 -2.602 2.062 1.00 0.00 O ATOM 43 CB ALA A 53 33.576 -2.535 2.528 1.00 0.00 C ATOM 0 H ALA A 53 33.549 -0.111 3.162 1.00 0.00 H new ATOM 0 HA ALA A 53 35.115 -2.400 4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 53 33.890 -3.516 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 53 32.789 -2.655 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 53 33.197 -1.948 1.691 1.00 0.00 H new ATOM 49 N ARG A 54 35.924 -0.619 1.395 1.00 0.00 N ATOM 50 CA ARG A 54 36.963 -0.399 0.397 1.00 0.00 C ATOM 51 C ARG A 54 37.194 1.098 0.184 1.00 0.00 C ATOM 52 O ARG A 54 36.246 1.883 0.137 1.00 0.00 O ATOM 53 CB ARG A 54 36.582 -1.105 -0.918 1.00 0.00 C ATOM 54 CG ARG A 54 36.395 -0.184 -2.121 1.00 0.00 C ATOM 55 CD ARG A 54 35.044 0.513 -2.083 1.00 0.00 C ATOM 56 NE ARG A 54 33.991 -0.307 -2.678 1.00 0.00 N ATOM 57 CZ ARG A 54 33.937 -0.624 -3.970 1.00 0.00 C ATOM 58 NH1 ARG A 54 34.869 -0.183 -4.807 1.00 0.00 N ATOM 59 NH2 ARG A 54 32.949 -1.381 -4.426 1.00 0.00 N ATOM 0 H ARG A 54 35.232 0.128 1.456 1.00 0.00 H new ATOM 0 HA ARG A 54 37.900 -0.827 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 54 37.355 -1.835 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.658 -1.660 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.190 0.561 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 54 36.482 -0.763 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 54 34.784 0.745 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 54 35.110 1.462 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 54 33.253 -0.657 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.630 0.401 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.824 -0.428 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.230 -1.721 -3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.908 -1.624 -5.416 1.00 0.00 H new ATOM 73 N VAL A 55 38.460 1.487 0.056 1.00 0.00 N ATOM 74 CA VAL A 55 38.809 2.888 -0.152 1.00 0.00 C ATOM 75 C VAL A 55 39.951 3.033 -1.153 1.00 0.00 C ATOM 76 O VAL A 55 40.614 2.055 -1.498 1.00 0.00 O ATOM 77 CB VAL A 55 39.213 3.570 1.170 1.00 0.00 C ATOM 78 CG1 VAL A 55 38.045 3.585 2.143 1.00 0.00 C ATOM 79 CG2 VAL A 55 40.420 2.876 1.784 1.00 0.00 C ATOM 0 H VAL A 55 39.258 0.853 0.093 1.00 0.00 H new ATOM 0 HA VAL A 55 37.919 3.376 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 55 39.489 4.602 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 55 38.350 4.070 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 55 37.212 4.133 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 55 37.734 2.562 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 55 40.690 3.372 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 55 40.176 1.833 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 55 41.260 2.925 1.091 1.00 0.00 H new ATOM 89 N ARG A 56 40.175 4.260 -1.612 1.00 0.00 N ATOM 90 CA ARG A 56 41.238 4.539 -2.569 1.00 0.00 C ATOM 91 C ARG A 56 42.434 5.179 -1.873 1.00 0.00 C ATOM 92 O ARG A 56 42.317 6.254 -1.284 1.00 0.00 O ATOM 93 CB ARG A 56 40.723 5.462 -3.676 1.00 0.00 C ATOM 94 CG ARG A 56 41.342 5.186 -5.037 1.00 0.00 C ATOM 95 CD ARG A 56 41.938 6.446 -5.649 1.00 0.00 C ATOM 96 NE ARG A 56 41.852 6.441 -7.106 1.00 0.00 N ATOM 97 CZ ARG A 56 40.761 6.788 -7.787 1.00 0.00 C ATOM 98 NH1 ARG A 56 39.661 7.166 -7.148 1.00 0.00 N ATOM 99 NH2 ARG A 56 40.771 6.756 -9.113 1.00 0.00 N ATOM 0 H ARG A 56 39.633 5.078 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 56 41.557 3.595 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.641 5.357 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 56 40.924 6.496 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 56 42.118 4.427 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 56 40.584 4.780 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 56 41.417 7.320 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 56 42.982 6.536 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 56 42.676 6.155 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 56 39.647 7.192 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 56 38.830 7.430 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 56 41.613 6.466 -9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 56 39.936 7.021 -9.636 1.00 0.00 H new ATOM 113 N CYS A 57 43.583 4.508 -1.938 1.00 0.00 N ATOM 114 CA CYS A 57 44.795 5.014 -1.303 1.00 0.00 C ATOM 115 C CYS A 57 46.030 4.740 -2.154 1.00 0.00 C ATOM 116 O CYS A 57 46.088 3.757 -2.892 1.00 0.00 O ATOM 117 CB CYS A 57 44.979 4.372 0.072 1.00 0.00 C ATOM 118 SG CYS A 57 43.710 4.829 1.276 1.00 0.00 S ATOM 0 H CYS A 57 43.698 3.617 -2.422 1.00 0.00 H new ATOM 0 HA CYS A 57 44.681 6.093 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 57 44.982 3.288 -0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 57 45.956 4.654 0.465 1.00 0.00 H new ATOM 0 HG CYS A 57 42.823 5.588 0.704 1.00 0.00 H new ATOM 124 N SER A 58 47.024 5.609 -2.019 1.00 0.00 N ATOM 125 CA SER A 58 48.281 5.470 -2.743 1.00 0.00 C ATOM 126 C SER A 58 49.410 5.239 -1.748 1.00 0.00 C ATOM 127 O SER A 58 49.316 5.666 -0.599 1.00 0.00 O ATOM 128 CB SER A 58 48.564 6.723 -3.579 1.00 0.00 C ATOM 129 OG SER A 58 47.546 7.695 -3.411 1.00 0.00 O ATOM 0 H SER A 58 46.982 6.425 -1.409 1.00 0.00 H new ATOM 0 HA SER A 58 48.210 4.618 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 58 49.526 7.147 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 58 48.640 6.451 -4.632 1.00 0.00 H new ATOM 0 HG SER A 58 47.754 8.484 -3.954 1.00 0.00 H new ATOM 135 N HIS A 59 50.472 4.562 -2.172 1.00 0.00 N ATOM 136 CA HIS A 59 51.587 4.296 -1.272 1.00 0.00 C ATOM 137 C HIS A 59 52.928 4.321 -2.002 1.00 0.00 C ATOM 138 O HIS A 59 52.997 4.152 -3.219 1.00 0.00 O ATOM 139 CB HIS A 59 51.387 2.950 -0.555 1.00 0.00 C ATOM 140 CG HIS A 59 51.989 1.778 -1.273 1.00 0.00 C ATOM 141 ND1 HIS A 59 53.282 1.348 -1.061 1.00 0.00 N ATOM 142 CD2 HIS A 59 51.470 0.948 -2.209 1.00 0.00 C ATOM 143 CE1 HIS A 59 53.533 0.306 -1.834 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.449 0.044 -2.540 1.00 0.00 N ATOM 0 H HIS A 59 50.584 4.193 -3.116 1.00 0.00 H new ATOM 0 HA HIS A 59 51.607 5.094 -0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 59 51.822 3.014 0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.319 2.774 -0.426 1.00 0.00 H new ATOM 0 HD1 HIS A 59 53.943 1.769 -0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 59 50.472 0.990 -2.619 1.00 0.00 H new ATOM 0 HE1 HIS A 59 54.465 -0.238 -1.880 1.00 0.00 H new ATOM 153 N LEU A 60 53.991 4.528 -1.231 1.00 0.00 N ATOM 154 CA LEU A 60 55.347 4.576 -1.765 1.00 0.00 C ATOM 155 C LEU A 60 56.251 3.627 -0.987 1.00 0.00 C ATOM 156 O LEU A 60 56.472 3.817 0.211 1.00 0.00 O ATOM 157 CB LEU A 60 55.895 6.002 -1.681 1.00 0.00 C ATOM 158 CG LEU A 60 56.987 6.337 -2.695 1.00 0.00 C ATOM 159 CD1 LEU A 60 57.124 7.844 -2.852 1.00 0.00 C ATOM 160 CD2 LEU A 60 58.314 5.721 -2.275 1.00 0.00 C ATOM 0 H LEU A 60 53.937 4.667 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 60 55.323 4.266 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 60 55.069 6.701 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 60 56.290 6.165 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 60 56.703 5.915 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 60 57.906 8.065 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 60 56.179 8.261 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 60 57.385 8.288 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.080 5.970 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 60 58.605 6.113 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 60 58.209 4.638 -2.214 1.00 0.00 H new ATOM 172 N LEU A 61 56.764 2.600 -1.660 1.00 0.00 N ATOM 173 CA LEU A 61 57.636 1.628 -1.010 1.00 0.00 C ATOM 174 C LEU A 61 59.101 2.042 -1.115 1.00 0.00 C ATOM 175 O LEU A 61 59.627 2.230 -2.212 1.00 0.00 O ATOM 176 CB LEU A 61 57.436 0.235 -1.622 1.00 0.00 C ATOM 177 CG LEU A 61 58.489 -0.820 -1.247 1.00 0.00 C ATOM 178 CD1 LEU A 61 58.971 -0.633 0.187 1.00 0.00 C ATOM 179 CD2 LEU A 61 57.929 -2.223 -1.441 1.00 0.00 C ATOM 0 H LEU A 61 56.592 2.421 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 61 57.368 1.593 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 61 56.456 -0.135 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 61 57.420 0.335 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 61 59.345 -0.690 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.715 -1.394 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 61 59.416 0.356 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 61 58.127 -0.727 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 61 58.687 -2.958 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 61 57.053 -2.356 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 61 57.646 -2.361 -2.484 1.00 0.00 H new ATOM 191 N VAL A 62 59.753 2.171 0.035 1.00 0.00 N ATOM 192 CA VAL A 62 61.161 2.549 0.082 1.00 0.00 C ATOM 193 C VAL A 62 61.957 1.549 0.916 1.00 0.00 C ATOM 194 O VAL A 62 62.161 1.748 2.115 1.00 0.00 O ATOM 195 CB VAL A 62 61.348 3.969 0.661 1.00 0.00 C ATOM 196 CG1 VAL A 62 62.826 4.307 0.810 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.651 4.994 -0.221 1.00 0.00 C ATOM 0 H VAL A 62 59.328 2.019 0.950 1.00 0.00 H new ATOM 0 HA VAL A 62 61.533 2.543 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 62 60.896 3.996 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 62 62.930 5.312 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.297 3.590 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.310 4.261 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 62 60.791 5.990 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 62 61.076 4.960 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.586 4.767 -0.270 1.00 0.00 H new ATOM 207 N LYS A 63 62.408 0.476 0.274 1.00 0.00 N ATOM 208 CA LYS A 63 63.185 -0.554 0.956 1.00 0.00 C ATOM 209 C LYS A 63 64.444 0.035 1.571 1.00 0.00 C ATOM 210 O LYS A 63 64.854 1.146 1.237 1.00 0.00 O ATOM 211 CB LYS A 63 63.555 -1.674 -0.018 1.00 0.00 C ATOM 212 CG LYS A 63 62.362 -2.504 -0.470 1.00 0.00 C ATOM 213 CD LYS A 63 62.073 -2.316 -1.954 1.00 0.00 C ATOM 214 CE LYS A 63 61.919 -3.651 -2.666 1.00 0.00 C ATOM 215 NZ LYS A 63 60.859 -4.493 -2.045 1.00 0.00 N ATOM 0 H LYS A 63 62.249 0.297 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 63 62.570 -0.967 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.037 -1.239 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 63 64.285 -2.330 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 63 62.554 -3.558 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 63 61.483 -2.223 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 63 61.162 -1.730 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 63 62.882 -1.748 -2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 63 61.677 -3.477 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 63 62.868 -4.186 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 60.523 -5.194 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 61.248 -4.984 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 60.065 -3.890 -1.750 1.00 0.00 H new ATOM 229 N HIS A 64 65.050 -0.716 2.482 1.00 0.00 N ATOM 230 CA HIS A 64 66.258 -0.265 3.152 1.00 0.00 C ATOM 231 C HIS A 64 67.277 -1.396 3.271 1.00 0.00 C ATOM 232 O HIS A 64 66.990 -2.544 2.937 1.00 0.00 O ATOM 233 CB HIS A 64 65.913 0.294 4.534 1.00 0.00 C ATOM 234 CG HIS A 64 64.939 -0.539 5.309 1.00 0.00 C ATOM 235 ND1 HIS A 64 65.115 -1.887 5.538 1.00 0.00 N ATOM 236 CD2 HIS A 64 63.783 -0.204 5.931 1.00 0.00 C ATOM 237 CE1 HIS A 64 64.115 -2.344 6.267 1.00 0.00 C ATOM 238 NE2 HIS A 64 63.292 -1.344 6.522 1.00 0.00 N ATOM 0 H HIS A 64 64.724 -1.638 2.772 1.00 0.00 H new ATOM 0 HA HIS A 64 66.707 0.526 2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 64 66.831 0.392 5.113 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.502 1.297 4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.331 0.777 5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 64 63.991 -3.364 6.599 1.00 0.00 H new ATOM 0 HE2 HIS A 64 62.433 -1.407 7.068 1.00 0.00 H new ATOM 247 N SER A 65 68.474 -1.054 3.741 1.00 0.00 N ATOM 248 CA SER A 65 69.553 -2.029 3.896 1.00 0.00 C ATOM 249 C SER A 65 69.115 -3.231 4.732 1.00 0.00 C ATOM 250 O SER A 65 69.709 -4.305 4.644 1.00 0.00 O ATOM 251 CB SER A 65 70.771 -1.367 4.542 1.00 0.00 C ATOM 252 OG SER A 65 71.848 -2.283 4.656 1.00 0.00 O ATOM 0 H SER A 65 68.723 -0.106 4.022 1.00 0.00 H new ATOM 0 HA SER A 65 69.816 -2.390 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 65 71.081 -0.508 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 65 70.504 -0.990 5.529 1.00 0.00 H new ATOM 0 HG SER A 65 72.615 -1.836 5.070 1.00 0.00 H new ATOM 258 N GLN A 66 68.085 -3.043 5.549 1.00 0.00 N ATOM 259 CA GLN A 66 67.588 -4.118 6.403 1.00 0.00 C ATOM 260 C GLN A 66 66.442 -4.884 5.742 1.00 0.00 C ATOM 261 O GLN A 66 65.830 -5.750 6.368 1.00 0.00 O ATOM 262 CB GLN A 66 67.121 -3.551 7.747 1.00 0.00 C ATOM 263 CG GLN A 66 68.257 -3.059 8.628 1.00 0.00 C ATOM 264 CD GLN A 66 69.056 -1.941 7.984 1.00 0.00 C ATOM 265 OE1 GLN A 66 68.503 -0.918 7.582 1.00 0.00 O ATOM 266 NE2 GLN A 66 70.366 -2.134 7.883 1.00 0.00 N ATOM 0 H GLN A 66 67.579 -2.162 5.639 1.00 0.00 H new ATOM 0 HA GLN A 66 68.410 -4.815 6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.431 -2.727 7.564 1.00 0.00 H new ATOM 0 HB3 GLN A 66 66.564 -4.320 8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 66 67.850 -2.709 9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 66 68.923 -3.892 8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 66 70.782 -2.998 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 66 70.956 -1.418 7.458 1.00 0.00 H new ATOM 275 N SER A 67 66.152 -4.571 4.481 1.00 0.00 N ATOM 276 CA SER A 67 65.079 -5.247 3.761 1.00 0.00 C ATOM 277 C SER A 67 65.432 -6.709 3.513 1.00 0.00 C ATOM 278 O SER A 67 66.565 -7.028 3.154 1.00 0.00 O ATOM 279 CB SER A 67 64.805 -4.544 2.432 1.00 0.00 C ATOM 280 OG SER A 67 65.954 -4.551 1.602 1.00 0.00 O ATOM 0 H SER A 67 66.642 -3.858 3.941 1.00 0.00 H new ATOM 0 HA SER A 67 64.180 -5.206 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.980 -5.038 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 67 64.494 -3.516 2.619 1.00 0.00 H new ATOM 0 HG SER A 67 66.460 -3.722 1.736 1.00 0.00 H new ATOM 286 N ARG A 68 64.459 -7.596 3.698 1.00 0.00 N ATOM 287 CA ARG A 68 64.685 -9.020 3.481 1.00 0.00 C ATOM 288 C ARG A 68 65.087 -9.288 2.032 1.00 0.00 C ATOM 289 O ARG A 68 65.676 -10.323 1.721 1.00 0.00 O ATOM 290 CB ARG A 68 63.433 -9.825 3.837 1.00 0.00 C ATOM 291 CG ARG A 68 62.182 -9.365 3.108 1.00 0.00 C ATOM 292 CD ARG A 68 61.135 -10.466 3.053 1.00 0.00 C ATOM 293 NE ARG A 68 60.423 -10.480 1.778 1.00 0.00 N ATOM 294 CZ ARG A 68 59.755 -11.533 1.312 1.00 0.00 C ATOM 295 NH1 ARG A 68 59.702 -12.659 2.013 1.00 0.00 N ATOM 296 NH2 ARG A 68 59.138 -11.459 0.140 1.00 0.00 N ATOM 0 H ARG A 68 63.513 -7.356 3.995 1.00 0.00 H new ATOM 0 HA ARG A 68 65.500 -9.336 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 68 63.610 -10.876 3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 68 63.262 -9.758 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 68 61.767 -8.491 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 68 62.442 -9.057 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 68 61.616 -11.432 3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 68 60.421 -10.329 3.865 1.00 0.00 H new ATOM 0 HE ARG A 68 60.438 -9.632 1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 68 60.175 -12.721 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 68 59.188 -13.462 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 68 59.176 -10.596 -0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 68 58.626 -12.265 -0.218 1.00 0.00 H new ATOM 310 N ARG A 69 64.767 -8.344 1.149 1.00 0.00 N ATOM 311 CA ARG A 69 65.097 -8.468 -0.264 1.00 0.00 C ATOM 312 C ARG A 69 65.294 -7.088 -0.889 1.00 0.00 C ATOM 313 O ARG A 69 64.387 -6.550 -1.524 1.00 0.00 O ATOM 314 CB ARG A 69 63.989 -9.227 -1.000 1.00 0.00 C ATOM 315 CG ARG A 69 64.239 -9.379 -2.493 1.00 0.00 C ATOM 316 CD ARG A 69 63.187 -8.654 -3.316 1.00 0.00 C ATOM 317 NE ARG A 69 61.911 -9.366 -3.323 1.00 0.00 N ATOM 318 CZ ARG A 69 60.739 -8.788 -3.581 1.00 0.00 C ATOM 319 NH1 ARG A 69 60.675 -7.490 -3.854 1.00 0.00 N ATOM 320 NH2 ARG A 69 59.626 -9.509 -3.566 1.00 0.00 N ATOM 0 H ARG A 69 64.278 -7.483 1.391 1.00 0.00 H new ATOM 0 HA ARG A 69 66.028 -9.027 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.882 -10.217 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 69 63.043 -8.707 -0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 69 65.226 -8.988 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 69 64.241 -10.437 -2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 69 63.040 -7.651 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 69 63.543 -8.539 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 69 61.918 -10.365 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 69 61.527 -6.929 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 69 59.774 -7.054 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 69 59.667 -10.506 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 69 58.729 -9.066 -3.764 1.00 0.00 H new ATOM 334 N PRO A 70 66.488 -6.494 -0.710 1.00 0.00 N ATOM 335 CA PRO A 70 66.799 -5.171 -1.254 1.00 0.00 C ATOM 336 C PRO A 70 67.067 -5.205 -2.755 1.00 0.00 C ATOM 337 O PRO A 70 68.214 -5.137 -3.194 1.00 0.00 O ATOM 338 CB PRO A 70 68.063 -4.770 -0.491 1.00 0.00 C ATOM 339 CG PRO A 70 68.727 -6.061 -0.157 1.00 0.00 C ATOM 340 CD PRO A 70 67.622 -7.068 0.040 1.00 0.00 C ATOM 0 HA PRO A 70 65.970 -4.474 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 70 68.709 -4.138 -1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 70 67.820 -4.205 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 70 69.398 -6.372 -0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 70 69.331 -5.965 0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 70 67.901 -8.049 -0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 70 67.380 -7.196 1.095 1.00 0.00 H new ATOM 348 N SER A 71 65.998 -5.311 -3.536 1.00 0.00 N ATOM 349 CA SER A 71 66.114 -5.353 -4.989 1.00 0.00 C ATOM 350 C SER A 71 64.762 -5.111 -5.650 1.00 0.00 C ATOM 351 O SER A 71 63.750 -5.681 -5.246 1.00 0.00 O ATOM 352 CB SER A 71 66.680 -6.700 -5.436 1.00 0.00 C ATOM 353 OG SER A 71 66.402 -7.712 -4.485 1.00 0.00 O ATOM 0 H SER A 71 65.041 -5.369 -3.187 1.00 0.00 H new ATOM 0 HA SER A 71 66.795 -4.560 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 71 66.252 -6.976 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 71 67.758 -6.616 -5.578 1.00 0.00 H new ATOM 0 HG SER A 71 66.773 -8.564 -4.796 1.00 0.00 H new ATOM 359 N SER A 72 64.755 -4.260 -6.670 1.00 0.00 N ATOM 360 CA SER A 72 63.530 -3.940 -7.391 1.00 0.00 C ATOM 361 C SER A 72 63.846 -3.446 -8.801 1.00 0.00 C ATOM 362 O SER A 72 65.010 -3.356 -9.188 1.00 0.00 O ATOM 363 CB SER A 72 62.726 -2.881 -6.631 1.00 0.00 C ATOM 364 OG SER A 72 61.394 -3.313 -6.411 1.00 0.00 O ATOM 0 H SER A 72 65.585 -3.779 -7.016 1.00 0.00 H new ATOM 0 HA SER A 72 62.933 -4.849 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 72 63.206 -2.672 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 72 62.721 -1.949 -7.196 1.00 0.00 H new ATOM 0 HG SER A 72 61.016 -2.831 -5.646 1.00 0.00 H new ATOM 370 N TRP A 73 62.805 -3.126 -9.559 1.00 0.00 N ATOM 371 CA TRP A 73 62.978 -2.640 -10.924 1.00 0.00 C ATOM 372 C TRP A 73 63.868 -1.399 -10.958 1.00 0.00 C ATOM 373 O TRP A 73 64.458 -1.076 -11.990 1.00 0.00 O ATOM 374 CB TRP A 73 61.618 -2.331 -11.554 1.00 0.00 C ATOM 375 CG TRP A 73 60.794 -1.366 -10.759 1.00 0.00 C ATOM 376 CD1 TRP A 73 60.041 -1.645 -9.652 1.00 0.00 C ATOM 377 CD2 TRP A 73 60.631 0.035 -11.010 1.00 0.00 C ATOM 378 NE1 TRP A 73 59.423 -0.504 -9.202 1.00 0.00 N ATOM 379 CE2 TRP A 73 59.769 0.539 -10.019 1.00 0.00 C ATOM 380 CE3 TRP A 73 61.130 0.912 -11.978 1.00 0.00 C ATOM 381 CZ2 TRP A 73 59.396 1.878 -9.967 1.00 0.00 C ATOM 382 CZ3 TRP A 73 60.759 2.242 -11.925 1.00 0.00 C ATOM 383 CH2 TRP A 73 59.899 2.714 -10.925 1.00 0.00 C ATOM 0 H TRP A 73 61.834 -3.194 -9.254 1.00 0.00 H new ATOM 0 HA TRP A 73 63.467 -3.425 -11.502 1.00 0.00 H new ATOM 0 HB2 TRP A 73 61.774 -1.925 -12.554 1.00 0.00 H new ATOM 0 HB3 TRP A 73 61.061 -3.261 -11.671 1.00 0.00 H new ATOM 0 HD1 TRP A 73 59.946 -2.620 -9.198 1.00 0.00 H new ATOM 0 HE1 TRP A 73 58.807 -0.443 -8.391 1.00 0.00 H new ATOM 0 HE3 TRP A 73 61.793 0.556 -12.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 58.733 2.244 -9.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 61.138 2.929 -12.667 1.00 0.00 H new ATOM 0 HH2 TRP A 73 59.628 3.759 -10.910 1.00 0.00 H new ATOM 394 N ARG A 74 63.963 -0.708 -9.826 1.00 0.00 N ATOM 395 CA ARG A 74 64.784 0.494 -9.731 1.00 0.00 C ATOM 396 C ARG A 74 66.261 0.140 -9.579 1.00 0.00 C ATOM 397 O ARG A 74 67.126 0.785 -10.172 1.00 0.00 O ATOM 398 CB ARG A 74 64.327 1.357 -8.550 1.00 0.00 C ATOM 399 CG ARG A 74 63.742 2.698 -8.966 1.00 0.00 C ATOM 400 CD ARG A 74 64.010 3.774 -7.925 1.00 0.00 C ATOM 401 NE ARG A 74 65.073 4.686 -8.341 1.00 0.00 N ATOM 402 CZ ARG A 74 65.732 5.486 -7.505 1.00 0.00 C ATOM 403 NH1 ARG A 74 65.441 5.489 -6.209 1.00 0.00 N ATOM 404 NH2 ARG A 74 66.685 6.285 -7.965 1.00 0.00 N ATOM 0 H ARG A 74 63.482 -0.960 -8.962 1.00 0.00 H new ATOM 0 HA ARG A 74 64.662 1.059 -10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.581 0.807 -7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.175 1.530 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.170 3.001 -9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.667 2.596 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.096 4.340 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.284 3.304 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 74 65.325 4.711 -9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.709 4.876 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.949 6.104 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 74 66.913 6.287 -8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.190 6.898 -7.325 1.00 0.00 H new ATOM 418 N GLN A 75 66.546 -0.886 -8.782 1.00 0.00 N ATOM 419 CA GLN A 75 67.922 -1.320 -8.557 1.00 0.00 C ATOM 420 C GLN A 75 67.973 -2.782 -8.126 1.00 0.00 C ATOM 421 O GLN A 75 66.963 -3.356 -7.721 1.00 0.00 O ATOM 422 CB GLN A 75 68.589 -0.443 -7.496 1.00 0.00 C ATOM 423 CG GLN A 75 69.106 0.881 -8.038 1.00 0.00 C ATOM 424 CD GLN A 75 70.391 1.322 -7.367 1.00 0.00 C ATOM 425 OE1 GLN A 75 70.382 1.790 -6.229 1.00 0.00 O ATOM 426 NE2 GLN A 75 71.507 1.175 -8.072 1.00 0.00 N ATOM 0 H GLN A 75 65.844 -1.432 -8.282 1.00 0.00 H new ATOM 0 HA GLN A 75 68.463 -1.219 -9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 75 67.873 -0.245 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 75 69.418 -0.993 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 75 69.273 0.790 -9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 75 68.345 1.649 -7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 75 71.468 0.782 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 75 72.403 1.455 -7.673 1.00 0.00 H new ATOM 435 N GLU A 76 69.156 -3.379 -8.219 1.00 0.00 N ATOM 436 CA GLU A 76 69.339 -4.777 -7.842 1.00 0.00 C ATOM 437 C GLU A 76 69.953 -4.902 -6.447 1.00 0.00 C ATOM 438 O GLU A 76 69.845 -5.947 -5.807 1.00 0.00 O ATOM 439 CB GLU A 76 70.223 -5.490 -8.866 1.00 0.00 C ATOM 440 CG GLU A 76 69.790 -5.265 -10.304 1.00 0.00 C ATOM 441 CD GLU A 76 68.943 -6.401 -10.843 1.00 0.00 C ATOM 442 OE1 GLU A 76 67.735 -6.440 -10.528 1.00 0.00 O ATOM 443 OE2 GLU A 76 69.486 -7.252 -11.576 1.00 0.00 O ATOM 0 H GLU A 76 70.003 -2.918 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 76 68.356 -5.248 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 76 71.251 -5.148 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 76 70.217 -6.560 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 76 69.226 -4.334 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 76 70.674 -5.146 -10.931 1.00 0.00 H new ATOM 450 N LYS A 77 70.600 -3.836 -5.983 1.00 0.00 N ATOM 451 CA LYS A 77 71.229 -3.842 -4.667 1.00 0.00 C ATOM 452 C LYS A 77 70.963 -2.534 -3.929 1.00 0.00 C ATOM 453 O LYS A 77 71.666 -1.544 -4.129 1.00 0.00 O ATOM 454 CB LYS A 77 72.736 -4.065 -4.804 1.00 0.00 C ATOM 455 CG LYS A 77 73.405 -4.513 -3.515 1.00 0.00 C ATOM 456 CD LYS A 77 73.438 -6.028 -3.402 1.00 0.00 C ATOM 457 CE LYS A 77 73.117 -6.490 -1.989 1.00 0.00 C ATOM 458 NZ LYS A 77 71.866 -5.868 -1.473 1.00 0.00 N ATOM 0 H LYS A 77 70.702 -2.961 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 77 70.796 -4.658 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.915 -4.814 -5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.202 -3.140 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 77 74.422 -4.122 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 77 72.870 -4.095 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 77 72.721 -6.461 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 77 74.424 -6.394 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 77 73.015 -7.575 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 77 73.947 -6.240 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 71.452 -6.478 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 72.084 -4.936 -1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 71.188 -5.754 -2.253 1.00 0.00 H new ATOM 472 N ILE A 78 69.945 -2.536 -3.074 1.00 0.00 N ATOM 473 CA ILE A 78 69.589 -1.348 -2.309 1.00 0.00 C ATOM 474 C ILE A 78 70.352 -1.295 -0.988 1.00 0.00 C ATOM 475 O ILE A 78 70.413 -2.283 -0.255 1.00 0.00 O ATOM 476 CB ILE A 78 68.077 -1.297 -2.025 1.00 0.00 C ATOM 477 CG1 ILE A 78 67.289 -1.529 -3.315 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.700 0.038 -1.395 1.00 0.00 C ATOM 479 CD1 ILE A 78 65.789 -1.472 -3.127 1.00 0.00 C ATOM 0 H ILE A 78 69.353 -3.347 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 78 69.864 -0.485 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 78 67.825 -2.090 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 78 67.583 -0.780 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 78 67.559 -2.502 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 78 66.628 0.059 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.242 0.164 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.961 0.848 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.296 -1.645 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.482 -2.239 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.507 -0.490 -2.746 1.00 0.00 H new ATOM 491 N THR A 79 70.931 -0.136 -0.691 1.00 0.00 N ATOM 492 CA THR A 79 71.689 0.048 0.543 1.00 0.00 C ATOM 493 C THR A 79 71.176 1.254 1.321 1.00 0.00 C ATOM 494 O THR A 79 71.943 1.941 1.995 1.00 0.00 O ATOM 495 CB THR A 79 73.175 0.222 0.232 1.00 0.00 C ATOM 496 OG1 THR A 79 73.431 1.515 -0.288 1.00 0.00 O ATOM 497 CG2 THR A 79 73.701 -0.787 -0.767 1.00 0.00 C ATOM 0 H THR A 79 70.890 0.690 -1.288 1.00 0.00 H new ATOM 0 HA THR A 79 71.556 -0.842 1.158 1.00 0.00 H new ATOM 0 HB THR A 79 73.688 0.069 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 79 74.388 1.607 -0.479 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.762 -0.607 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.564 -1.794 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.156 -0.688 -1.706 1.00 0.00 H new ATOM 505 N ARG A 80 69.876 1.506 1.223 1.00 0.00 N ATOM 506 CA ARG A 80 69.259 2.630 1.916 1.00 0.00 C ATOM 507 C ARG A 80 69.091 2.328 3.401 1.00 0.00 C ATOM 508 O ARG A 80 68.248 1.519 3.788 1.00 0.00 O ATOM 509 CB ARG A 80 67.899 2.952 1.294 1.00 0.00 C ATOM 510 CG ARG A 80 67.503 4.416 1.426 1.00 0.00 C ATOM 511 CD ARG A 80 67.127 5.017 0.081 1.00 0.00 C ATOM 512 NE ARG A 80 68.243 4.988 -0.863 1.00 0.00 N ATOM 513 CZ ARG A 80 69.297 5.798 -0.788 1.00 0.00 C ATOM 514 NH1 ARG A 80 69.385 6.697 0.183 1.00 0.00 N ATOM 515 NH2 ARG A 80 70.267 5.708 -1.690 1.00 0.00 N ATOM 0 H ARG A 80 69.228 0.946 0.669 1.00 0.00 H new ATOM 0 HA ARG A 80 69.915 3.494 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 80 67.918 2.683 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 80 67.136 2.333 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 80 66.662 4.505 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 80 68.330 4.980 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 80 66.283 4.469 -0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 80 66.799 6.047 0.223 1.00 0.00 H new ATOM 0 HE ARG A 80 68.212 4.308 -1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 80 68.642 6.771 0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 80 70.195 7.314 0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 80 70.204 5.019 -2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 80 71.075 6.328 -1.634 1.00 0.00 H new ATOM 529 N THR A 81 69.897 2.981 4.231 1.00 0.00 N ATOM 530 CA THR A 81 69.832 2.780 5.673 1.00 0.00 C ATOM 531 C THR A 81 68.441 3.105 6.204 1.00 0.00 C ATOM 532 O THR A 81 67.618 3.690 5.500 1.00 0.00 O ATOM 533 CB THR A 81 70.878 3.645 6.380 1.00 0.00 C ATOM 534 OG1 THR A 81 70.953 4.928 5.786 1.00 0.00 O ATOM 535 CG2 THR A 81 72.267 3.045 6.355 1.00 0.00 C ATOM 0 H THR A 81 70.602 3.653 3.930 1.00 0.00 H new ATOM 0 HA THR A 81 70.043 1.731 5.878 1.00 0.00 H new ATOM 0 HB THR A 81 70.546 3.709 7.416 1.00 0.00 H new ATOM 0 HG1 THR A 81 71.626 5.466 6.253 1.00 0.00 H new ATOM 0 HG21 THR A 81 72.959 3.709 6.873 1.00 0.00 H new ATOM 0 HG22 THR A 81 72.253 2.075 6.852 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.590 2.919 5.322 1.00 0.00 H new ATOM 543 N LYS A 82 68.180 2.717 7.448 1.00 0.00 N ATOM 544 CA LYS A 82 66.885 2.965 8.073 1.00 0.00 C ATOM 545 C LYS A 82 66.562 4.455 8.098 1.00 0.00 C ATOM 546 O LYS A 82 65.602 4.903 7.471 1.00 0.00 O ATOM 547 CB LYS A 82 66.868 2.404 9.497 1.00 0.00 C ATOM 548 CG LYS A 82 66.646 0.900 9.555 1.00 0.00 C ATOM 549 CD LYS A 82 65.469 0.542 10.450 1.00 0.00 C ATOM 550 CE LYS A 82 65.699 0.991 11.885 1.00 0.00 C ATOM 551 NZ LYS A 82 64.733 2.045 12.300 1.00 0.00 N ATOM 0 H LYS A 82 68.849 2.229 8.044 1.00 0.00 H new ATOM 0 HA LYS A 82 66.123 2.460 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 82 67.813 2.643 9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 82 66.082 2.901 10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 82 66.468 0.519 8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 82 67.548 0.413 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 82 64.563 1.008 10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 82 65.308 -0.536 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 82 65.609 0.134 12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 82 66.716 1.370 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 65.208 2.723 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 64.379 2.543 11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 63.936 1.606 12.803 1.00 0.00 H new ATOM 565 N GLU A 83 67.366 5.219 8.833 1.00 0.00 N ATOM 566 CA GLU A 83 67.163 6.660 8.948 1.00 0.00 C ATOM 567 C GLU A 83 67.103 7.326 7.573 1.00 0.00 C ATOM 568 O GLU A 83 66.350 8.275 7.367 1.00 0.00 O ATOM 569 CB GLU A 83 68.284 7.288 9.779 1.00 0.00 C ATOM 570 CG GLU A 83 68.427 6.682 11.166 1.00 0.00 C ATOM 571 CD GLU A 83 67.579 7.391 12.203 1.00 0.00 C ATOM 572 OE1 GLU A 83 67.498 8.636 12.153 1.00 0.00 O ATOM 573 OE2 GLU A 83 66.999 6.701 13.069 1.00 0.00 O ATOM 0 H GLU A 83 68.165 4.864 9.358 1.00 0.00 H new ATOM 0 HA GLU A 83 66.208 6.822 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 83 69.227 7.177 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 83 68.097 8.357 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 83 68.145 5.630 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 83 69.473 6.721 11.469 1.00 0.00 H new ATOM 580 N GLU A 84 67.907 6.824 6.640 1.00 0.00 N ATOM 581 CA GLU A 84 67.949 7.376 5.290 1.00 0.00 C ATOM 582 C GLU A 84 66.598 7.236 4.593 1.00 0.00 C ATOM 583 O GLU A 84 66.035 8.218 4.105 1.00 0.00 O ATOM 584 CB GLU A 84 69.034 6.682 4.467 1.00 0.00 C ATOM 585 CG GLU A 84 70.402 7.335 4.591 1.00 0.00 C ATOM 586 CD GLU A 84 70.447 8.719 3.975 1.00 0.00 C ATOM 587 OE1 GLU A 84 69.545 9.044 3.176 1.00 0.00 O ATOM 588 OE2 GLU A 84 71.385 9.480 4.293 1.00 0.00 O ATOM 0 H GLU A 84 68.537 6.037 6.794 1.00 0.00 H new ATOM 0 HA GLU A 84 68.183 8.438 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 84 69.107 5.641 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 84 68.736 6.678 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 84 70.674 7.402 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.147 6.703 4.108 1.00 0.00 H new ATOM 595 N ALA A 85 66.080 6.011 4.550 1.00 0.00 N ATOM 596 CA ALA A 85 64.795 5.748 3.912 1.00 0.00 C ATOM 597 C ALA A 85 63.688 6.557 4.571 1.00 0.00 C ATOM 598 O ALA A 85 62.722 6.955 3.921 1.00 0.00 O ATOM 599 CB ALA A 85 64.472 4.263 3.969 1.00 0.00 C ATOM 0 H ALA A 85 66.530 5.187 4.949 1.00 0.00 H new ATOM 0 HA ALA A 85 64.863 6.052 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 85 63.510 4.081 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 85 65.249 3.702 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 85 64.425 3.940 5.009 1.00 0.00 H new ATOM 605 N LEU A 86 63.841 6.809 5.866 1.00 0.00 N ATOM 606 CA LEU A 86 62.865 7.580 6.615 1.00 0.00 C ATOM 607 C LEU A 86 62.919 9.047 6.194 1.00 0.00 C ATOM 608 O LEU A 86 61.912 9.754 6.232 1.00 0.00 O ATOM 609 CB LEU A 86 63.149 7.454 8.116 1.00 0.00 C ATOM 610 CG LEU A 86 62.245 6.490 8.883 1.00 0.00 C ATOM 611 CD1 LEU A 86 60.784 6.875 8.724 1.00 0.00 C ATOM 612 CD2 LEU A 86 62.483 5.063 8.417 1.00 0.00 C ATOM 0 H LEU A 86 64.636 6.488 6.418 1.00 0.00 H new ATOM 0 HA LEU A 86 61.868 7.192 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 86 64.183 7.134 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 86 63.062 8.442 8.568 1.00 0.00 H new ATOM 0 HG LEU A 86 62.493 6.553 9.943 1.00 0.00 H new ATOM 0 HD11 LEU A 86 60.161 6.174 9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 86 60.629 7.883 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 86 60.513 6.845 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 86 61.833 4.386 8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 86 62.263 4.987 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 86 63.524 4.792 8.593 1.00 0.00 H new ATOM 624 N GLU A 87 64.109 9.492 5.795 1.00 0.00 N ATOM 625 CA GLU A 87 64.306 10.872 5.365 1.00 0.00 C ATOM 626 C GLU A 87 63.515 11.168 4.095 1.00 0.00 C ATOM 627 O GLU A 87 62.797 12.165 4.022 1.00 0.00 O ATOM 628 CB GLU A 87 65.795 11.146 5.131 1.00 0.00 C ATOM 629 CG GLU A 87 66.097 12.592 4.767 1.00 0.00 C ATOM 630 CD GLU A 87 66.932 12.717 3.508 1.00 0.00 C ATOM 631 OE1 GLU A 87 68.138 12.396 3.560 1.00 0.00 O ATOM 632 OE2 GLU A 87 66.380 13.136 2.469 1.00 0.00 O ATOM 0 H GLU A 87 64.950 8.916 5.761 1.00 0.00 H new ATOM 0 HA GLU A 87 63.942 11.528 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 87 66.350 10.883 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 87 66.155 10.496 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 87 65.160 13.131 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 87 66.622 13.069 5.595 1.00 0.00 H new ATOM 639 N LEU A 88 63.649 10.299 3.096 1.00 0.00 N ATOM 640 CA LEU A 88 62.934 10.488 1.835 1.00 0.00 C ATOM 641 C LEU A 88 61.428 10.347 2.044 1.00 0.00 C ATOM 642 O LEU A 88 60.658 11.222 1.648 1.00 0.00 O ATOM 643 CB LEU A 88 63.412 9.512 0.746 1.00 0.00 C ATOM 644 CG LEU A 88 64.154 8.265 1.229 1.00 0.00 C ATOM 645 CD1 LEU A 88 63.954 7.125 0.244 1.00 0.00 C ATOM 646 CD2 LEU A 88 65.636 8.560 1.407 1.00 0.00 C ATOM 0 H LEU A 88 64.238 9.467 3.133 1.00 0.00 H new ATOM 0 HA LEU A 88 63.154 11.499 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 88 62.544 9.191 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 88 64.065 10.055 0.063 1.00 0.00 H new ATOM 0 HG LEU A 88 63.746 7.969 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 88 64.486 6.242 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 88 62.891 6.899 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 88 64.341 7.416 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 88 66.147 7.661 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 88 66.061 8.877 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 88 65.763 9.354 2.143 1.00 0.00 H new ATOM 658 N ILE A 89 61.010 9.252 2.679 1.00 0.00 N ATOM 659 CA ILE A 89 59.593 9.020 2.948 1.00 0.00 C ATOM 660 C ILE A 89 58.951 10.279 3.540 1.00 0.00 C ATOM 661 O ILE A 89 57.900 10.731 3.082 1.00 0.00 O ATOM 662 CB ILE A 89 59.399 7.802 3.898 1.00 0.00 C ATOM 663 CG1 ILE A 89 58.520 6.735 3.229 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.812 8.210 5.246 1.00 0.00 C ATOM 665 CD1 ILE A 89 59.288 5.823 2.299 1.00 0.00 C ATOM 0 H ILE A 89 61.630 8.515 3.015 1.00 0.00 H new ATOM 0 HA ILE A 89 59.098 8.790 2.005 1.00 0.00 H new ATOM 0 HB ILE A 89 60.386 7.381 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 89 58.040 6.134 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.726 7.228 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.695 7.327 5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.482 8.917 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 89 57.839 8.678 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 89 58.607 5.094 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 89 59.746 6.414 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 89 60.065 5.303 2.859 1.00 0.00 H new ATOM 677 N ASN A 90 59.604 10.847 4.550 1.00 0.00 N ATOM 678 CA ASN A 90 59.108 12.058 5.192 1.00 0.00 C ATOM 679 C ASN A 90 59.061 13.210 4.195 1.00 0.00 C ATOM 680 O ASN A 90 58.036 13.875 4.048 1.00 0.00 O ATOM 681 CB ASN A 90 59.994 12.430 6.382 1.00 0.00 C ATOM 682 CG ASN A 90 59.472 13.638 7.136 1.00 0.00 C ATOM 683 OD1 ASN A 90 59.686 14.823 6.577 1.00 0.00 O flip ATOM 684 ND2 ASN A 90 58.883 13.507 8.210 1.00 0.00 N flip ATOM 0 H ASN A 90 60.476 10.488 4.940 1.00 0.00 H new ATOM 0 HA ASN A 90 58.097 11.867 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 90 60.059 11.581 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 90 61.005 12.634 6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 90 58.740 12.577 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 90 58.538 14.329 8.706 1.00 0.00 H new ATOM 691 N GLY A 91 60.176 13.433 3.504 1.00 0.00 N ATOM 692 CA GLY A 91 60.236 14.498 2.521 1.00 0.00 C ATOM 693 C GLY A 91 59.123 14.388 1.498 1.00 0.00 C ATOM 694 O GLY A 91 58.512 15.388 1.123 1.00 0.00 O ATOM 0 H GLY A 91 61.037 12.896 3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 91 60.171 15.462 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 91 61.200 14.469 2.013 1.00 0.00 H new ATOM 698 N TYR A 92 58.851 13.161 1.062 1.00 0.00 N ATOM 699 CA TYR A 92 57.795 12.912 0.090 1.00 0.00 C ATOM 700 C TYR A 92 56.467 13.444 0.613 1.00 0.00 C ATOM 701 O TYR A 92 55.688 14.045 -0.126 1.00 0.00 O ATOM 702 CB TYR A 92 57.675 11.406 -0.184 1.00 0.00 C ATOM 703 CG TYR A 92 58.822 10.821 -0.981 1.00 0.00 C ATOM 704 CD1 TYR A 92 59.444 11.547 -1.990 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.282 9.534 -0.723 1.00 0.00 C ATOM 706 CE1 TYR A 92 60.490 11.011 -2.715 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.328 8.991 -1.445 1.00 0.00 C ATOM 708 CZ TYR A 92 60.928 9.733 -2.441 1.00 0.00 C ATOM 709 OH TYR A 92 61.970 9.197 -3.160 1.00 0.00 O ATOM 0 H TYR A 92 59.348 12.325 1.368 1.00 0.00 H new ATOM 0 HA TYR A 92 58.046 13.426 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.605 10.880 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 92 56.744 11.220 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 92 59.103 12.548 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 92 58.814 8.949 0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 92 60.963 11.591 -3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.674 7.991 -1.230 1.00 0.00 H new ATOM 0 HH TYR A 92 62.032 9.645 -4.030 1.00 0.00 H new ATOM 719 N ILE A 93 56.222 13.218 1.898 1.00 0.00 N ATOM 720 CA ILE A 93 54.994 13.670 2.535 1.00 0.00 C ATOM 721 C ILE A 93 54.836 15.187 2.418 1.00 0.00 C ATOM 722 O ILE A 93 53.765 15.683 2.071 1.00 0.00 O ATOM 723 CB ILE A 93 54.953 13.241 4.025 1.00 0.00 C ATOM 724 CG1 ILE A 93 53.938 12.113 4.220 1.00 0.00 C ATOM 725 CG2 ILE A 93 54.624 14.413 4.942 1.00 0.00 C ATOM 726 CD1 ILE A 93 54.286 11.173 5.353 1.00 0.00 C ATOM 0 H ILE A 93 56.861 12.723 2.520 1.00 0.00 H new ATOM 0 HA ILE A 93 54.161 13.198 2.014 1.00 0.00 H new ATOM 0 HB ILE A 93 55.946 12.882 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 93 52.956 12.548 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 93 53.861 11.541 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 93 54.605 14.071 5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 93 55.383 15.187 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 93 53.648 14.820 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 93 53.522 10.399 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 93 55.253 10.710 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 93 54.334 11.732 6.288 1.00 0.00 H new ATOM 738 N GLN A 94 55.904 15.916 2.724 1.00 0.00 N ATOM 739 CA GLN A 94 55.878 17.375 2.667 1.00 0.00 C ATOM 740 C GLN A 94 55.463 17.880 1.287 1.00 0.00 C ATOM 741 O GLN A 94 54.419 18.514 1.139 1.00 0.00 O ATOM 742 CB GLN A 94 57.251 17.942 3.034 1.00 0.00 C ATOM 743 CG GLN A 94 57.237 19.437 3.308 1.00 0.00 C ATOM 744 CD GLN A 94 57.238 19.760 4.790 1.00 0.00 C ATOM 745 OE1 GLN A 94 56.203 20.100 5.363 1.00 0.00 O ATOM 746 NE2 GLN A 94 58.402 19.654 5.419 1.00 0.00 N ATOM 0 H GLN A 94 56.799 15.521 3.014 1.00 0.00 H new ATOM 0 HA GLN A 94 55.136 17.718 3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 94 57.626 17.423 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 94 57.949 17.736 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 94 58.107 19.896 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 94 56.355 19.879 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 94 59.235 19.369 4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 94 58.463 19.858 6.417 1.00 0.00 H new ATOM 755 N LYS A 95 56.289 17.609 0.281 1.00 0.00 N ATOM 756 CA LYS A 95 56.001 18.055 -1.084 1.00 0.00 C ATOM 757 C LYS A 95 54.591 17.660 -1.523 1.00 0.00 C ATOM 758 O LYS A 95 53.861 18.467 -2.112 1.00 0.00 O ATOM 759 CB LYS A 95 57.034 17.506 -2.080 1.00 0.00 C ATOM 760 CG LYS A 95 57.587 16.128 -1.737 1.00 0.00 C ATOM 761 CD LYS A 95 59.109 16.145 -1.686 1.00 0.00 C ATOM 762 CE LYS A 95 59.703 14.890 -2.302 1.00 0.00 C ATOM 763 NZ LYS A 95 60.912 15.191 -3.118 1.00 0.00 N ATOM 0 H LYS A 95 57.159 17.086 0.381 1.00 0.00 H new ATOM 0 HA LYS A 95 56.064 19.143 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 95 56.576 17.462 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 95 57.864 18.209 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 95 57.191 15.803 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 95 57.253 15.404 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 95 59.482 17.022 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 95 59.438 16.234 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 95 59.964 14.186 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 95 58.955 14.403 -2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 61.287 14.309 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 60.658 15.843 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 61.636 15.632 -2.516 1.00 0.00 H new ATOM 777 N ILE A 96 54.206 16.423 -1.237 1.00 0.00 N ATOM 778 CA ILE A 96 52.881 15.940 -1.606 1.00 0.00 C ATOM 779 C ILE A 96 51.798 16.719 -0.872 1.00 0.00 C ATOM 780 O ILE A 96 50.869 17.240 -1.490 1.00 0.00 O ATOM 781 CB ILE A 96 52.727 14.435 -1.315 1.00 0.00 C ATOM 782 CG1 ILE A 96 53.777 13.651 -2.099 1.00 0.00 C ATOM 783 CG2 ILE A 96 51.325 13.957 -1.677 1.00 0.00 C ATOM 784 CD1 ILE A 96 54.101 12.298 -1.503 1.00 0.00 C ATOM 0 H ILE A 96 54.788 15.739 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 96 52.768 16.096 -2.679 1.00 0.00 H new ATOM 0 HB ILE A 96 52.877 14.265 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 96 53.425 13.512 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 96 54.691 14.242 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 96 51.237 12.892 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 96 50.590 14.506 -1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 96 51.144 14.131 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 96 54.854 11.802 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 96 54.484 12.429 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 96 53.198 11.688 -1.473 1.00 0.00 H new ATOM 796 N LYS A 97 51.926 16.805 0.446 1.00 0.00 N ATOM 797 CA LYS A 97 50.957 17.534 1.251 1.00 0.00 C ATOM 798 C LYS A 97 51.035 19.034 0.970 1.00 0.00 C ATOM 799 O LYS A 97 50.141 19.790 1.350 1.00 0.00 O ATOM 800 CB LYS A 97 51.177 17.255 2.741 1.00 0.00 C ATOM 801 CG LYS A 97 52.397 17.947 3.333 1.00 0.00 C ATOM 802 CD LYS A 97 52.050 18.702 4.607 1.00 0.00 C ATOM 803 CE LYS A 97 51.489 17.770 5.671 1.00 0.00 C ATOM 804 NZ LYS A 97 50.793 18.518 6.753 1.00 0.00 N ATOM 0 H LYS A 97 52.687 16.381 0.977 1.00 0.00 H new ATOM 0 HA LYS A 97 49.960 17.188 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 97 50.291 17.570 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 97 51.277 16.179 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 97 53.168 17.207 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 97 52.814 18.639 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 97 52.941 19.200 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 97 51.321 19.481 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 97 50.794 17.069 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 97 52.299 17.180 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 50.425 17.847 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 51.462 19.169 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 50.004 19.061 6.348 1.00 0.00 H new ATOM 818 N SER A 98 52.107 19.462 0.299 1.00 0.00 N ATOM 819 CA SER A 98 52.280 20.870 -0.028 1.00 0.00 C ATOM 820 C SER A 98 51.520 21.220 -1.301 1.00 0.00 C ATOM 821 O SER A 98 51.110 22.364 -1.501 1.00 0.00 O ATOM 822 CB SER A 98 53.764 21.201 -0.198 1.00 0.00 C ATOM 823 OG SER A 98 54.223 20.843 -1.489 1.00 0.00 O ATOM 0 H SER A 98 52.860 18.855 -0.024 1.00 0.00 H new ATOM 0 HA SER A 98 51.879 21.463 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 98 53.923 22.267 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 98 54.346 20.673 0.557 1.00 0.00 H new ATOM 0 HG SER A 98 53.957 19.921 -1.687 1.00 0.00 H new ATOM 829 N GLY A 99 51.346 20.226 -2.165 1.00 0.00 N ATOM 830 CA GLY A 99 50.650 20.445 -3.416 1.00 0.00 C ATOM 831 C GLY A 99 51.605 20.747 -4.554 1.00 0.00 C ATOM 832 O GLY A 99 51.183 21.148 -5.638 1.00 0.00 O ATOM 0 H GLY A 99 51.676 19.272 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 99 50.061 19.562 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 99 49.950 21.273 -3.301 1.00 0.00 H new ATOM 836 N GLU A 100 52.897 20.553 -4.304 1.00 0.00 N ATOM 837 CA GLU A 100 53.917 20.806 -5.311 1.00 0.00 C ATOM 838 C GLU A 100 54.199 19.548 -6.120 1.00 0.00 C ATOM 839 O GLU A 100 54.368 19.611 -7.338 1.00 0.00 O ATOM 840 CB GLU A 100 55.205 21.305 -4.655 1.00 0.00 C ATOM 841 CG GLU A 100 55.254 22.815 -4.479 1.00 0.00 C ATOM 842 CD GLU A 100 55.474 23.547 -5.787 1.00 0.00 C ATOM 843 OE1 GLU A 100 54.902 23.120 -6.813 1.00 0.00 O ATOM 844 OE2 GLU A 100 56.218 24.551 -5.787 1.00 0.00 O ATOM 0 H GLU A 100 53.260 20.221 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 100 53.543 21.577 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 100 55.314 20.830 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 100 56.056 20.990 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 100 54.321 23.155 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 100 56.055 23.070 -3.785 1.00 0.00 H new ATOM 851 N GLU A 101 54.251 18.401 -5.444 1.00 0.00 N ATOM 852 CA GLU A 101 54.515 17.140 -6.130 1.00 0.00 C ATOM 853 C GLU A 101 53.399 16.132 -5.883 1.00 0.00 C ATOM 854 O GLU A 101 53.012 15.885 -4.744 1.00 0.00 O ATOM 855 CB GLU A 101 55.856 16.559 -5.684 1.00 0.00 C ATOM 856 CG GLU A 101 57.057 17.229 -6.333 1.00 0.00 C ATOM 857 CD GLU A 101 57.276 18.645 -5.839 1.00 0.00 C ATOM 858 OE1 GLU A 101 57.273 18.852 -4.607 1.00 0.00 O ATOM 859 OE2 GLU A 101 57.450 19.548 -6.684 1.00 0.00 O ATOM 0 H GLU A 101 54.116 18.320 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 101 54.556 17.346 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 101 55.940 16.652 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 101 55.876 15.494 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 101 57.950 16.637 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 101 56.919 17.243 -7.414 1.00 0.00 H new ATOM 866 N ASP A 102 52.885 15.552 -6.962 1.00 0.00 N ATOM 867 CA ASP A 102 51.809 14.570 -6.864 1.00 0.00 C ATOM 868 C ASP A 102 52.325 13.232 -6.353 1.00 0.00 C ATOM 869 O ASP A 102 53.318 12.701 -6.851 1.00 0.00 O ATOM 870 CB ASP A 102 51.113 14.386 -8.218 1.00 0.00 C ATOM 871 CG ASP A 102 52.085 14.336 -9.380 1.00 0.00 C ATOM 872 OD1 ASP A 102 53.309 14.280 -9.131 1.00 0.00 O ATOM 873 OD2 ASP A 102 51.625 14.356 -10.540 1.00 0.00 O ATOM 0 H ASP A 102 53.195 15.744 -7.915 1.00 0.00 H new ATOM 0 HA ASP A 102 51.082 14.951 -6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 102 50.530 13.465 -8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 102 50.410 15.205 -8.374 1.00 0.00 H new ATOM 878 N PHE A 103 51.634 12.689 -5.351 1.00 0.00 N ATOM 879 CA PHE A 103 52.007 11.410 -4.762 1.00 0.00 C ATOM 880 C PHE A 103 52.045 10.317 -5.822 1.00 0.00 C ATOM 881 O PHE A 103 52.922 9.452 -5.810 1.00 0.00 O ATOM 882 CB PHE A 103 51.019 11.032 -3.657 1.00 0.00 C ATOM 883 CG PHE A 103 51.495 9.910 -2.779 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.516 8.606 -3.244 1.00 0.00 C ATOM 885 CD2 PHE A 103 51.924 10.162 -1.486 1.00 0.00 C ATOM 886 CE1 PHE A 103 51.954 7.574 -2.435 1.00 0.00 C ATOM 887 CE2 PHE A 103 52.362 9.138 -0.673 1.00 0.00 C ATOM 888 CZ PHE A 103 52.378 7.840 -1.148 1.00 0.00 C ATOM 0 H PHE A 103 50.810 13.120 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 103 53.004 11.509 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 103 50.826 11.909 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 103 50.070 10.748 -4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.186 8.393 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 103 51.915 11.174 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 103 51.965 6.561 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 103 52.692 9.350 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.721 7.036 -0.514 1.00 0.00 H new ATOM 898 N GLU A 104 51.089 10.366 -6.744 1.00 0.00 N ATOM 899 CA GLU A 104 51.013 9.384 -7.816 1.00 0.00 C ATOM 900 C GLU A 104 52.289 9.398 -8.650 1.00 0.00 C ATOM 901 O GLU A 104 52.982 8.386 -8.763 1.00 0.00 O ATOM 902 CB GLU A 104 49.802 9.664 -8.710 1.00 0.00 C ATOM 903 CG GLU A 104 48.535 9.987 -7.935 1.00 0.00 C ATOM 904 CD GLU A 104 47.280 9.786 -8.761 1.00 0.00 C ATOM 905 OE1 GLU A 104 47.121 8.693 -9.343 1.00 0.00 O ATOM 906 OE2 GLU A 104 46.454 10.722 -8.826 1.00 0.00 O ATOM 0 H GLU A 104 50.357 11.076 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 104 50.901 8.397 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 104 50.035 10.498 -9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 104 49.619 8.795 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 104 48.486 9.357 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 104 48.577 11.020 -7.591 1.00 0.00 H new ATOM 913 N SER A 105 52.603 10.555 -9.223 1.00 0.00 N ATOM 914 CA SER A 105 53.799 10.695 -10.042 1.00 0.00 C ATOM 915 C SER A 105 55.048 10.518 -9.191 1.00 0.00 C ATOM 916 O SER A 105 56.022 9.905 -9.628 1.00 0.00 O ATOM 917 CB SER A 105 53.823 12.058 -10.735 1.00 0.00 C ATOM 918 OG SER A 105 54.321 11.948 -12.057 1.00 0.00 O ATOM 0 H SER A 105 52.047 11.406 -9.135 1.00 0.00 H new ATOM 0 HA SER A 105 53.782 9.918 -10.807 1.00 0.00 H new ATOM 0 HB2 SER A 105 52.817 12.477 -10.755 1.00 0.00 H new ATOM 0 HB3 SER A 105 54.444 12.749 -10.165 1.00 0.00 H new ATOM 0 HG SER A 105 54.325 12.832 -12.480 1.00 0.00 H new ATOM 924 N LEU A 106 55.015 11.043 -7.969 1.00 0.00 N ATOM 925 CA LEU A 106 56.156 10.913 -7.071 1.00 0.00 C ATOM 926 C LEU A 106 56.488 9.440 -6.856 1.00 0.00 C ATOM 927 O LEU A 106 57.551 8.966 -7.267 1.00 0.00 O ATOM 928 CB LEU A 106 55.866 11.583 -5.727 1.00 0.00 C ATOM 929 CG LEU A 106 56.069 13.098 -5.694 1.00 0.00 C ATOM 930 CD1 LEU A 106 55.724 13.652 -4.320 1.00 0.00 C ATOM 931 CD2 LEU A 106 57.501 13.460 -6.066 1.00 0.00 C ATOM 0 H LEU A 106 54.222 11.555 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 106 57.011 11.410 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 106 54.836 11.365 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 106 56.506 11.131 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 106 55.400 13.546 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 106 55.874 14.732 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 106 54.682 13.430 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 106 56.368 13.192 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 106 57.622 14.543 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 106 58.189 12.998 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 106 57.718 13.098 -7.071 1.00 0.00 H new ATOM 943 N ALA A 107 55.559 8.716 -6.226 1.00 0.00 N ATOM 944 CA ALA A 107 55.732 7.288 -5.963 1.00 0.00 C ATOM 945 C ALA A 107 56.402 6.595 -7.133 1.00 0.00 C ATOM 946 O ALA A 107 57.433 5.962 -6.973 1.00 0.00 O ATOM 947 CB ALA A 107 54.391 6.631 -5.668 1.00 0.00 C ATOM 0 H ALA A 107 54.676 9.099 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 107 56.375 7.187 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.541 5.569 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 107 53.941 7.099 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.729 6.754 -6.525 1.00 0.00 H new ATOM 953 N SER A 108 55.815 6.727 -8.313 1.00 0.00 N ATOM 954 CA SER A 108 56.373 6.108 -9.508 1.00 0.00 C ATOM 955 C SER A 108 57.890 6.307 -9.595 1.00 0.00 C ATOM 956 O SER A 108 58.649 5.340 -9.669 1.00 0.00 O ATOM 957 CB SER A 108 55.710 6.686 -10.758 1.00 0.00 C ATOM 958 OG SER A 108 56.420 6.321 -11.928 1.00 0.00 O ATOM 0 H SER A 108 54.956 7.255 -8.470 1.00 0.00 H new ATOM 0 HA SER A 108 56.174 5.038 -9.446 1.00 0.00 H new ATOM 0 HB2 SER A 108 54.682 6.329 -10.826 1.00 0.00 H new ATOM 0 HB3 SER A 108 55.665 7.772 -10.680 1.00 0.00 H new ATOM 0 HG SER A 108 56.955 7.082 -12.237 1.00 0.00 H new ATOM 964 N GLN A 109 58.323 7.569 -9.593 1.00 0.00 N ATOM 965 CA GLN A 109 59.745 7.899 -9.703 1.00 0.00 C ATOM 966 C GLN A 109 60.546 7.475 -8.480 1.00 0.00 C ATOM 967 O GLN A 109 61.777 7.507 -8.501 1.00 0.00 O ATOM 968 CB GLN A 109 59.917 9.404 -9.912 1.00 0.00 C ATOM 969 CG GLN A 109 59.687 9.853 -11.345 1.00 0.00 C ATOM 970 CD GLN A 109 58.215 9.956 -11.695 1.00 0.00 C ATOM 971 OE1 GLN A 109 57.648 8.864 -12.193 1.00 0.00 O flip ATOM 972 NE2 GLN A 109 57.595 11.005 -11.519 1.00 0.00 N flip ATOM 0 H GLN A 109 57.709 8.380 -9.516 1.00 0.00 H new ATOM 0 HA GLN A 109 60.129 7.345 -10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 109 59.223 9.934 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 109 60.924 9.691 -9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 109 60.162 10.822 -11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 109 60.170 9.150 -12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 109 58.071 11.820 -11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 109 56.605 11.059 -11.759 1.00 0.00 H new ATOM 981 N PHE A 110 59.862 7.086 -7.418 1.00 0.00 N ATOM 982 CA PHE A 110 60.545 6.671 -6.200 1.00 0.00 C ATOM 983 C PHE A 110 60.001 5.347 -5.669 1.00 0.00 C ATOM 984 O PHE A 110 60.392 4.898 -4.592 1.00 0.00 O ATOM 985 CB PHE A 110 60.426 7.767 -5.142 1.00 0.00 C ATOM 986 CG PHE A 110 60.853 9.116 -5.647 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.169 9.345 -6.019 1.00 0.00 C ATOM 988 CD2 PHE A 110 59.942 10.154 -5.756 1.00 0.00 C ATOM 989 CE1 PHE A 110 62.568 10.582 -6.487 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.335 11.393 -6.223 1.00 0.00 C ATOM 991 CZ PHE A 110 61.649 11.607 -6.589 1.00 0.00 C ATOM 0 H PHE A 110 58.844 7.048 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 110 61.597 6.514 -6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.393 7.823 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 110 61.034 7.499 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 110 62.891 8.546 -5.942 1.00 0.00 H new ATOM 0 HD2 PHE A 110 58.912 9.992 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 110 63.596 10.747 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 110 59.615 12.194 -6.302 1.00 0.00 H new ATOM 0 HZ PHE A 110 61.957 12.575 -6.955 1.00 0.00 H new ATOM 1001 N SER A 111 59.095 4.729 -6.420 1.00 0.00 N ATOM 1002 CA SER A 111 58.505 3.465 -6.000 1.00 0.00 C ATOM 1003 C SER A 111 59.485 2.311 -6.178 1.00 0.00 C ATOM 1004 O SER A 111 59.802 1.921 -7.298 1.00 0.00 O ATOM 1005 CB SER A 111 57.222 3.181 -6.788 1.00 0.00 C ATOM 1006 OG SER A 111 56.523 2.072 -6.247 1.00 0.00 O ATOM 0 H SER A 111 58.756 5.080 -7.316 1.00 0.00 H new ATOM 0 HA SER A 111 58.262 3.551 -4.941 1.00 0.00 H new ATOM 0 HB2 SER A 111 56.580 4.062 -6.772 1.00 0.00 H new ATOM 0 HB3 SER A 111 57.469 2.985 -7.831 1.00 0.00 H new ATOM 0 HG SER A 111 56.299 1.444 -6.965 1.00 0.00 H new ATOM 1012 N ASP A 112 59.947 1.755 -5.063 1.00 0.00 N ATOM 1013 CA ASP A 112 60.872 0.628 -5.100 1.00 0.00 C ATOM 1014 C ASP A 112 60.095 -0.682 -5.075 1.00 0.00 C ATOM 1015 O ASP A 112 60.540 -1.675 -4.496 1.00 0.00 O ATOM 1016 CB ASP A 112 61.842 0.690 -3.918 1.00 0.00 C ATOM 1017 CG ASP A 112 62.583 2.013 -3.847 1.00 0.00 C ATOM 1018 OD1 ASP A 112 62.791 2.634 -4.910 1.00 0.00 O ATOM 1019 OD2 ASP A 112 62.955 2.424 -2.728 1.00 0.00 O ATOM 0 H ASP A 112 59.697 2.066 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 112 61.450 0.681 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 112 61.291 0.535 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 112 62.563 -0.123 -4.000 1.00 0.00 H new ATOM 1024 N CYS A 113 58.924 -0.666 -5.701 1.00 0.00 N ATOM 1025 CA CYS A 113 58.060 -1.833 -5.761 1.00 0.00 C ATOM 1026 C CYS A 113 57.275 -1.838 -7.068 1.00 0.00 C ATOM 1027 O CYS A 113 57.304 -0.866 -7.823 1.00 0.00 O ATOM 1028 CB CYS A 113 57.100 -1.829 -4.567 1.00 0.00 C ATOM 1029 SG CYS A 113 56.522 -3.468 -4.068 1.00 0.00 S ATOM 0 H CYS A 113 58.550 0.154 -6.179 1.00 0.00 H new ATOM 0 HA CYS A 113 58.674 -2.733 -5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 113 57.597 -1.358 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 113 56.236 -1.212 -4.813 1.00 0.00 H new ATOM 0 HG CYS A 113 55.720 -3.354 -3.052 1.00 0.00 H new ATOM 1035 N SER A 114 56.570 -2.930 -7.331 1.00 0.00 N ATOM 1036 CA SER A 114 55.779 -3.049 -8.550 1.00 0.00 C ATOM 1037 C SER A 114 54.664 -2.001 -8.612 1.00 0.00 C ATOM 1038 O SER A 114 53.918 -1.941 -9.589 1.00 0.00 O ATOM 1039 CB SER A 114 55.183 -4.452 -8.656 1.00 0.00 C ATOM 1040 OG SER A 114 54.083 -4.610 -7.776 1.00 0.00 O ATOM 0 H SER A 114 56.529 -3.745 -6.719 1.00 0.00 H new ATOM 0 HA SER A 114 56.447 -2.872 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.861 -4.637 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 114 55.948 -5.193 -8.423 1.00 0.00 H new ATOM 0 HG SER A 114 53.720 -5.516 -7.866 1.00 0.00 H new ATOM 1046 N SER A 115 54.553 -1.169 -7.574 1.00 0.00 N ATOM 1047 CA SER A 115 53.531 -0.132 -7.539 1.00 0.00 C ATOM 1048 C SER A 115 53.684 0.809 -8.728 1.00 0.00 C ATOM 1049 O SER A 115 52.705 1.374 -9.216 1.00 0.00 O ATOM 1050 CB SER A 115 53.620 0.660 -6.231 1.00 0.00 C ATOM 1051 OG SER A 115 54.323 -0.067 -5.241 1.00 0.00 O ATOM 0 H SER A 115 55.157 -1.196 -6.753 1.00 0.00 H new ATOM 0 HA SER A 115 52.554 -0.612 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 115 54.120 1.611 -6.412 1.00 0.00 H new ATOM 0 HB3 SER A 115 52.617 0.891 -5.873 1.00 0.00 H new ATOM 0 HG SER A 115 53.761 -0.162 -4.444 1.00 0.00 H new ATOM 1057 N ALA A 116 54.924 0.969 -9.192 1.00 0.00 N ATOM 1058 CA ALA A 116 55.220 1.837 -10.331 1.00 0.00 C ATOM 1059 C ALA A 116 54.194 1.671 -11.447 1.00 0.00 C ATOM 1060 O ALA A 116 53.900 2.617 -12.176 1.00 0.00 O ATOM 1061 CB ALA A 116 56.619 1.554 -10.857 1.00 0.00 C ATOM 0 H ALA A 116 55.742 0.507 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 116 55.168 2.869 -9.984 1.00 0.00 H new ATOM 0 HB1 ALA A 116 56.828 2.206 -11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 116 57.348 1.739 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 116 56.685 0.513 -11.175 1.00 0.00 H new ATOM 1067 N LYS A 117 53.638 0.468 -11.568 1.00 0.00 N ATOM 1068 CA LYS A 117 52.632 0.195 -12.590 1.00 0.00 C ATOM 1069 C LYS A 117 51.493 1.200 -12.482 1.00 0.00 C ATOM 1070 O LYS A 117 50.976 1.688 -13.488 1.00 0.00 O ATOM 1071 CB LYS A 117 52.091 -1.228 -12.442 1.00 0.00 C ATOM 1072 CG LYS A 117 53.178 -2.287 -12.356 1.00 0.00 C ATOM 1073 CD LYS A 117 53.401 -2.970 -13.697 1.00 0.00 C ATOM 1074 CE LYS A 117 54.881 -3.071 -14.031 1.00 0.00 C ATOM 1075 NZ LYS A 117 55.135 -4.024 -15.146 1.00 0.00 N ATOM 0 H LYS A 117 53.866 -0.329 -10.974 1.00 0.00 H new ATOM 0 HA LYS A 117 53.098 0.289 -13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 117 51.472 -1.281 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 117 51.444 -1.452 -13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 117 54.108 -1.828 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 117 52.903 -3.032 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 117 52.963 -3.968 -13.676 1.00 0.00 H new ATOM 0 HD3 LYS A 117 52.887 -2.413 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 117 55.260 -2.086 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 117 55.432 -3.392 -13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 56.155 -4.064 -15.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 54.797 -4.970 -14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 54.631 -3.705 -15.997 1.00 0.00 H new ATOM 1089 N ALA A 118 51.118 1.510 -11.247 1.00 0.00 N ATOM 1090 CA ALA A 118 50.054 2.470 -10.982 1.00 0.00 C ATOM 1091 C ALA A 118 50.610 3.727 -10.314 1.00 0.00 C ATOM 1092 O ALA A 118 49.858 4.533 -9.767 1.00 0.00 O ATOM 1093 CB ALA A 118 48.980 1.838 -10.111 1.00 0.00 C ATOM 0 H ALA A 118 51.538 1.108 -10.409 1.00 0.00 H new ATOM 0 HA ALA A 118 49.609 2.759 -11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 118 48.191 2.566 -9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 118 48.559 0.972 -10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 118 49.418 1.522 -9.164 1.00 0.00 H new ATOM 1099 N ARG A 119 51.932 3.885 -10.365 1.00 0.00 N ATOM 1100 CA ARG A 119 52.592 5.040 -9.769 1.00 0.00 C ATOM 1101 C ARG A 119 52.309 5.112 -8.272 1.00 0.00 C ATOM 1102 O ARG A 119 52.113 6.194 -7.717 1.00 0.00 O ATOM 1103 CB ARG A 119 52.142 6.331 -10.459 1.00 0.00 C ATOM 1104 CG ARG A 119 51.827 6.160 -11.937 1.00 0.00 C ATOM 1105 CD ARG A 119 53.016 5.598 -12.696 1.00 0.00 C ATOM 1106 NE ARG A 119 52.632 5.053 -13.996 1.00 0.00 N ATOM 1107 CZ ARG A 119 52.456 5.791 -15.089 1.00 0.00 C ATOM 1108 NH1 ARG A 119 52.627 7.108 -15.044 1.00 0.00 N ATOM 1109 NH2 ARG A 119 52.109 5.214 -16.230 1.00 0.00 N ATOM 0 H ARG A 119 52.566 3.225 -10.815 1.00 0.00 H new ATOM 0 HA ARG A 119 53.667 4.927 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 119 51.257 6.714 -9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 119 52.924 7.082 -10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 119 50.972 5.495 -12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 119 51.543 7.122 -12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 119 53.759 6.383 -12.838 1.00 0.00 H new ATOM 0 HD3 ARG A 119 53.488 4.816 -12.101 1.00 0.00 H new ATOM 0 HE ARG A 119 52.490 4.046 -14.070 1.00 0.00 H new ATOM 0 HH11 ARG A 119 52.895 7.558 -14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 119 52.491 7.669 -15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 119 51.977 4.203 -16.271 1.00 0.00 H new ATOM 0 HH22 ARG A 119 51.974 5.780 -17.068 1.00 0.00 H new ATOM 1123 N GLY A 120 52.294 3.951 -7.624 1.00 0.00 N ATOM 1124 CA GLY A 120 52.038 3.897 -6.195 1.00 0.00 C ATOM 1125 C GLY A 120 50.564 3.755 -5.867 1.00 0.00 C ATOM 1126 O GLY A 120 50.194 3.017 -4.952 1.00 0.00 O ATOM 0 H GLY A 120 52.455 3.045 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.584 3.058 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 120 52.424 4.802 -5.727 1.00 0.00 H new ATOM 1130 N ASP A 121 49.722 4.468 -6.605 1.00 0.00 N ATOM 1131 CA ASP A 121 48.281 4.423 -6.384 1.00 0.00 C ATOM 1132 C ASP A 121 47.734 3.014 -6.575 1.00 0.00 C ATOM 1133 O ASP A 121 47.716 2.489 -7.689 1.00 0.00 O ATOM 1134 CB ASP A 121 47.570 5.391 -7.330 1.00 0.00 C ATOM 1135 CG ASP A 121 47.903 6.840 -7.032 1.00 0.00 C ATOM 1136 OD1 ASP A 121 49.093 7.140 -6.801 1.00 0.00 O ATOM 1137 OD2 ASP A 121 46.973 7.674 -7.029 1.00 0.00 O ATOM 0 H ASP A 121 50.012 5.085 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 121 48.092 4.723 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.849 5.161 -8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 121 46.493 5.245 -7.252 1.00 0.00 H new ATOM 1142 N LEU A 122 47.277 2.411 -5.482 1.00 0.00 N ATOM 1143 CA LEU A 122 46.715 1.066 -5.527 1.00 0.00 C ATOM 1144 C LEU A 122 45.227 1.104 -5.870 1.00 0.00 C ATOM 1145 O LEU A 122 44.552 0.075 -5.850 1.00 0.00 O ATOM 1146 CB LEU A 122 46.913 0.361 -4.184 1.00 0.00 C ATOM 1147 CG LEU A 122 48.368 0.133 -3.775 1.00 0.00 C ATOM 1148 CD1 LEU A 122 48.441 -0.426 -2.361 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.058 -0.803 -4.757 1.00 0.00 C ATOM 0 H LEU A 122 47.285 2.833 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 122 47.238 0.512 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 122 46.422 0.949 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 122 46.408 -0.604 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 122 48.887 1.092 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 122 49.484 -0.583 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 122 47.984 0.279 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 122 47.908 -1.376 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 122 50.093 -0.954 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 122 48.540 -1.762 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 122 49.036 -0.364 -5.755 1.00 0.00 H new ATOM 1161 N GLY A 123 44.716 2.296 -6.176 1.00 0.00 N ATOM 1162 CA GLY A 123 43.312 2.433 -6.506 1.00 0.00 C ATOM 1163 C GLY A 123 42.417 2.009 -5.360 1.00 0.00 C ATOM 1164 O GLY A 123 42.899 1.704 -4.270 1.00 0.00 O ATOM 0 H GLY A 123 45.250 3.165 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 123 43.100 3.470 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 123 43.086 1.830 -7.385 1.00 0.00 H new ATOM 1168 N ALA A 124 41.113 1.986 -5.603 1.00 0.00 N ATOM 1169 CA ALA A 124 40.159 1.590 -4.578 1.00 0.00 C ATOM 1170 C ALA A 124 40.294 0.106 -4.254 1.00 0.00 C ATOM 1171 O ALA A 124 39.995 -0.748 -5.089 1.00 0.00 O ATOM 1172 CB ALA A 124 38.740 1.909 -5.023 1.00 0.00 C ATOM 0 H ALA A 124 40.694 2.236 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 124 40.377 2.157 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 124 38.038 1.607 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.646 2.980 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.517 1.369 -5.943 1.00 0.00 H new ATOM 1178 N PHE A 125 40.746 -0.198 -3.040 1.00 0.00 N ATOM 1179 CA PHE A 125 40.916 -1.584 -2.621 1.00 0.00 C ATOM 1180 C PHE A 125 40.061 -1.899 -1.408 1.00 0.00 C ATOM 1181 O PHE A 125 39.361 -1.036 -0.879 1.00 0.00 O ATOM 1182 CB PHE A 125 42.376 -1.889 -2.295 1.00 0.00 C ATOM 1183 CG PHE A 125 43.015 -0.889 -1.374 1.00 0.00 C ATOM 1184 CD1 PHE A 125 42.850 -0.992 -0.001 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.782 0.151 -1.876 1.00 0.00 C ATOM 1186 CE1 PHE A 125 43.436 -0.078 0.853 1.00 0.00 C ATOM 1187 CE2 PHE A 125 44.371 1.069 -1.025 1.00 0.00 C ATOM 1188 CZ PHE A 125 44.198 0.953 0.342 1.00 0.00 C ATOM 0 H PHE A 125 40.999 0.493 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 125 40.598 -2.209 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.438 -2.878 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 125 42.945 -1.928 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 125 42.256 -1.797 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 125 43.921 0.246 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 125 43.298 -0.170 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 125 44.965 1.876 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.658 1.668 1.008 1.00 0.00 H new ATOM 1198 N SER A 126 40.131 -3.147 -0.974 1.00 0.00 N ATOM 1199 CA SER A 126 39.370 -3.602 0.182 1.00 0.00 C ATOM 1200 C SER A 126 40.292 -4.056 1.307 1.00 0.00 C ATOM 1201 O SER A 126 41.341 -4.654 1.062 1.00 0.00 O ATOM 1202 CB SER A 126 38.433 -4.744 -0.216 1.00 0.00 C ATOM 1203 OG SER A 126 37.162 -4.250 -0.599 1.00 0.00 O ATOM 0 H SER A 126 40.710 -3.867 -1.406 1.00 0.00 H new ATOM 0 HA SER A 126 38.779 -2.761 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 126 38.871 -5.308 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 126 38.321 -5.435 0.619 1.00 0.00 H new ATOM 0 HG SER A 126 36.806 -3.676 0.112 1.00 0.00 H new ATOM 1209 N ARG A 127 39.890 -3.770 2.541 1.00 0.00 N ATOM 1210 CA ARG A 127 40.674 -4.150 3.717 1.00 0.00 C ATOM 1211 C ARG A 127 41.074 -5.624 3.660 1.00 0.00 C ATOM 1212 O ARG A 127 40.356 -6.451 3.098 1.00 0.00 O ATOM 1213 CB ARG A 127 39.882 -3.880 5.000 1.00 0.00 C ATOM 1214 CG ARG A 127 38.395 -4.192 4.881 1.00 0.00 C ATOM 1215 CD ARG A 127 37.953 -5.217 5.913 1.00 0.00 C ATOM 1216 NE ARG A 127 36.511 -5.447 5.874 1.00 0.00 N ATOM 1217 CZ ARG A 127 35.886 -6.080 4.884 1.00 0.00 C ATOM 1218 NH1 ARG A 127 36.572 -6.546 3.846 1.00 0.00 N ATOM 1219 NH2 ARG A 127 34.572 -6.250 4.930 1.00 0.00 N ATOM 0 H ARG A 127 39.024 -3.275 2.756 1.00 0.00 H new ATOM 0 HA ARG A 127 41.580 -3.544 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 127 40.305 -4.475 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 127 40.003 -2.833 5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 127 37.819 -3.275 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 127 38.180 -4.567 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 127 38.475 -6.157 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 127 38.239 -4.876 6.908 1.00 0.00 H new ATOM 0 HE ARG A 127 35.949 -5.102 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 127 37.583 -6.419 3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 127 36.087 -7.030 3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 127 34.039 -5.896 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 127 34.094 -6.735 4.171 1.00 0.00 H new ATOM 1233 N GLY A 128 42.221 -5.944 4.252 1.00 0.00 N ATOM 1234 CA GLY A 128 42.692 -7.317 4.262 1.00 0.00 C ATOM 1235 C GLY A 128 43.594 -7.645 3.086 1.00 0.00 C ATOM 1236 O GLY A 128 44.011 -8.792 2.918 1.00 0.00 O ATOM 0 H GLY A 128 42.832 -5.278 4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 128 43.233 -7.503 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 128 41.834 -7.989 4.253 1.00 0.00 H new ATOM 1240 N GLN A 129 43.898 -6.642 2.269 1.00 0.00 N ATOM 1241 CA GLN A 129 44.755 -6.841 1.105 1.00 0.00 C ATOM 1242 C GLN A 129 46.206 -6.491 1.428 1.00 0.00 C ATOM 1243 O GLN A 129 47.110 -7.303 1.231 1.00 0.00 O ATOM 1244 CB GLN A 129 44.259 -5.994 -0.069 1.00 0.00 C ATOM 1245 CG GLN A 129 44.078 -6.784 -1.356 1.00 0.00 C ATOM 1246 CD GLN A 129 43.216 -8.018 -1.167 1.00 0.00 C ATOM 1247 OE1 GLN A 129 43.518 -9.085 -1.701 1.00 0.00 O ATOM 1248 NE2 GLN A 129 42.139 -7.876 -0.405 1.00 0.00 N ATOM 0 H GLN A 129 43.565 -5.686 2.390 1.00 0.00 H new ATOM 0 HA GLN A 129 44.711 -7.894 0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 129 43.309 -5.534 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 129 44.966 -5.184 -0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 129 43.626 -6.142 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 129 45.055 -7.083 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 129 41.929 -6.972 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 129 41.522 -8.671 -0.241 1.00 0.00 H new ATOM 1257 N MET A 130 46.422 -5.277 1.924 1.00 0.00 N ATOM 1258 CA MET A 130 47.764 -4.820 2.271 1.00 0.00 C ATOM 1259 C MET A 130 48.114 -5.200 3.708 1.00 0.00 C ATOM 1260 O MET A 130 47.308 -5.805 4.413 1.00 0.00 O ATOM 1261 CB MET A 130 47.871 -3.305 2.095 1.00 0.00 C ATOM 1262 CG MET A 130 47.606 -2.839 0.672 1.00 0.00 C ATOM 1263 SD MET A 130 48.988 -3.171 -0.438 1.00 0.00 S ATOM 1264 CE MET A 130 48.246 -4.352 -1.559 1.00 0.00 C ATOM 0 H MET A 130 45.686 -4.592 2.095 1.00 0.00 H new ATOM 0 HA MET A 130 48.471 -5.309 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 130 47.163 -2.818 2.766 1.00 0.00 H new ATOM 0 HB3 MET A 130 48.868 -2.982 2.395 1.00 0.00 H new ATOM 0 HG2 MET A 130 46.713 -3.335 0.292 1.00 0.00 H new ATOM 0 HG3 MET A 130 47.398 -1.769 0.677 1.00 0.00 H new ATOM 0 HE1 MET A 130 48.979 -4.654 -2.307 1.00 0.00 H new ATOM 0 HE2 MET A 130 47.917 -5.228 -0.999 1.00 0.00 H new ATOM 0 HE3 MET A 130 47.390 -3.895 -2.055 1.00 0.00 H new ATOM 1274 N GLN A 131 49.321 -4.839 4.135 1.00 0.00 N ATOM 1275 CA GLN A 131 49.775 -5.142 5.489 1.00 0.00 C ATOM 1276 C GLN A 131 48.803 -4.575 6.521 1.00 0.00 C ATOM 1277 O GLN A 131 48.069 -3.628 6.240 1.00 0.00 O ATOM 1278 CB GLN A 131 51.178 -4.576 5.722 1.00 0.00 C ATOM 1279 CG GLN A 131 51.945 -5.283 6.829 1.00 0.00 C ATOM 1280 CD GLN A 131 53.227 -5.922 6.335 1.00 0.00 C ATOM 1281 OE1 GLN A 131 54.266 -5.844 6.992 1.00 0.00 O ATOM 1282 NE2 GLN A 131 53.161 -6.557 5.171 1.00 0.00 N ATOM 0 H GLN A 131 50.001 -4.337 3.564 1.00 0.00 H new ATOM 0 HA GLN A 131 49.810 -6.225 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 131 51.747 -4.646 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.097 -3.517 5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 131 52.180 -4.567 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 131 51.310 -6.049 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 131 52.279 -6.596 4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 131 53.993 -7.005 4.787 1.00 0.00 H new ATOM 1291 N LYS A 132 48.798 -5.163 7.714 1.00 0.00 N ATOM 1292 CA LYS A 132 47.911 -4.717 8.782 1.00 0.00 C ATOM 1293 C LYS A 132 48.049 -3.215 9.033 1.00 0.00 C ATOM 1294 O LYS A 132 47.068 -2.477 8.945 1.00 0.00 O ATOM 1295 CB LYS A 132 48.185 -5.503 10.070 1.00 0.00 C ATOM 1296 CG LYS A 132 47.333 -5.063 11.252 1.00 0.00 C ATOM 1297 CD LYS A 132 48.125 -5.082 12.551 1.00 0.00 C ATOM 1298 CE LYS A 132 47.720 -6.249 13.437 1.00 0.00 C ATOM 1299 NZ LYS A 132 47.588 -7.515 12.663 1.00 0.00 N ATOM 0 H LYS A 132 49.398 -5.949 7.965 1.00 0.00 H new ATOM 0 HA LYS A 132 46.886 -4.909 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 132 48.010 -6.562 9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 132 49.237 -5.396 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 132 46.952 -4.058 11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 132 46.468 -5.720 11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 132 49.190 -5.147 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 132 47.968 -4.146 13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 132 48.462 -6.381 14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 132 46.773 -6.022 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 47.816 -8.323 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 46.612 -7.609 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 48.243 -7.498 11.856 1.00 0.00 H new ATOM 1313 N PRO A 133 49.267 -2.730 9.341 1.00 0.00 N ATOM 1314 CA PRO A 133 49.495 -1.305 9.589 1.00 0.00 C ATOM 1315 C PRO A 133 49.068 -0.454 8.401 1.00 0.00 C ATOM 1316 O PRO A 133 48.687 0.705 8.557 1.00 0.00 O ATOM 1317 CB PRO A 133 51.010 -1.202 9.816 1.00 0.00 C ATOM 1318 CG PRO A 133 51.575 -2.474 9.281 1.00 0.00 C ATOM 1319 CD PRO A 133 50.507 -3.513 9.465 1.00 0.00 C ATOM 0 HA PRO A 133 48.914 -0.939 10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.427 -0.338 9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.242 -1.083 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 133 51.841 -2.370 8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.485 -2.751 9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 133 50.569 -4.295 8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 133 50.581 -4.002 10.436 1.00 0.00 H new ATOM 1327 N PHE A 134 49.122 -1.046 7.212 1.00 0.00 N ATOM 1328 CA PHE A 134 48.728 -0.353 5.994 1.00 0.00 C ATOM 1329 C PHE A 134 47.246 -0.024 6.029 1.00 0.00 C ATOM 1330 O PHE A 134 46.852 1.141 6.052 1.00 0.00 O ATOM 1331 CB PHE A 134 49.023 -1.220 4.772 1.00 0.00 C ATOM 1332 CG PHE A 134 48.987 -0.463 3.474 1.00 0.00 C ATOM 1333 CD1 PHE A 134 47.779 -0.190 2.854 1.00 0.00 C ATOM 1334 CD2 PHE A 134 50.159 -0.021 2.876 1.00 0.00 C ATOM 1335 CE1 PHE A 134 47.736 0.509 1.665 1.00 0.00 C ATOM 1336 CE2 PHE A 134 50.123 0.679 1.684 1.00 0.00 C ATOM 1337 CZ PHE A 134 48.908 0.945 1.076 1.00 0.00 C ATOM 0 H PHE A 134 49.436 -2.006 7.068 1.00 0.00 H new ATOM 0 HA PHE A 134 49.301 0.572 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 134 50.006 -1.676 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 134 48.297 -2.032 4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 134 46.859 -0.529 3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 134 51.109 -0.226 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 134 46.786 0.716 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 134 51.042 1.018 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 134 48.876 1.491 0.145 1.00 0.00 H new ATOM 1347 N GLU A 135 46.433 -1.070 6.028 1.00 0.00 N ATOM 1348 CA GLU A 135 44.981 -0.918 6.053 1.00 0.00 C ATOM 1349 C GLU A 135 44.532 -0.072 7.242 1.00 0.00 C ATOM 1350 O GLU A 135 43.720 0.836 7.091 1.00 0.00 O ATOM 1351 CB GLU A 135 44.306 -2.291 6.105 1.00 0.00 C ATOM 1352 CG GLU A 135 42.787 -2.226 6.147 1.00 0.00 C ATOM 1353 CD GLU A 135 42.190 -3.201 7.143 1.00 0.00 C ATOM 1354 OE1 GLU A 135 42.899 -4.145 7.549 1.00 0.00 O ATOM 1355 OE2 GLU A 135 41.013 -3.020 7.517 1.00 0.00 O ATOM 0 H GLU A 135 46.753 -2.038 6.010 1.00 0.00 H new ATOM 0 HA GLU A 135 44.683 -0.405 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 135 44.612 -2.869 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 135 44.662 -2.828 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 135 42.477 -1.213 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.390 -2.438 5.154 1.00 0.00 H new ATOM 1362 N ASP A 136 45.062 -0.374 8.424 1.00 0.00 N ATOM 1363 CA ASP A 136 44.703 0.364 9.630 1.00 0.00 C ATOM 1364 C ASP A 136 44.944 1.860 9.447 1.00 0.00 C ATOM 1365 O ASP A 136 44.026 2.667 9.588 1.00 0.00 O ATOM 1366 CB ASP A 136 45.499 -0.155 10.830 1.00 0.00 C ATOM 1367 CG ASP A 136 44.624 -0.391 12.045 1.00 0.00 C ATOM 1368 OD1 ASP A 136 43.645 -1.157 11.932 1.00 0.00 O ATOM 1369 OD2 ASP A 136 44.918 0.192 13.111 1.00 0.00 O ATOM 0 H ASP A 136 45.739 -1.122 8.572 1.00 0.00 H new ATOM 0 HA ASP A 136 43.640 0.209 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 136 45.996 -1.086 10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.280 0.562 11.082 1.00 0.00 H new ATOM 1374 N ALA A 137 46.182 2.223 9.130 1.00 0.00 N ATOM 1375 CA ALA A 137 46.536 3.622 8.925 1.00 0.00 C ATOM 1376 C ALA A 137 45.693 4.243 7.816 1.00 0.00 C ATOM 1377 O ALA A 137 45.117 5.317 7.987 1.00 0.00 O ATOM 1378 CB ALA A 137 48.017 3.750 8.600 1.00 0.00 C ATOM 0 H ALA A 137 46.956 1.569 9.010 1.00 0.00 H new ATOM 0 HA ALA A 137 46.331 4.163 9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.267 4.800 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 137 48.606 3.351 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.240 3.190 7.692 1.00 0.00 H new ATOM 1384 N SER A 138 45.625 3.557 6.679 1.00 0.00 N ATOM 1385 CA SER A 138 44.851 4.038 5.539 1.00 0.00 C ATOM 1386 C SER A 138 43.381 4.214 5.910 1.00 0.00 C ATOM 1387 O SER A 138 42.777 5.249 5.630 1.00 0.00 O ATOM 1388 CB SER A 138 44.982 3.062 4.365 1.00 0.00 C ATOM 1389 OG SER A 138 45.543 3.702 3.231 1.00 0.00 O ATOM 0 H SER A 138 46.097 2.666 6.522 1.00 0.00 H new ATOM 0 HA SER A 138 45.247 5.010 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 138 45.607 2.218 4.657 1.00 0.00 H new ATOM 0 HB3 SER A 138 44.001 2.659 4.111 1.00 0.00 H new ATOM 0 HG SER A 138 44.906 4.357 2.876 1.00 0.00 H new ATOM 1395 N PHE A 139 42.814 3.189 6.535 1.00 0.00 N ATOM 1396 CA PHE A 139 41.413 3.213 6.942 1.00 0.00 C ATOM 1397 C PHE A 139 41.173 4.196 8.087 1.00 0.00 C ATOM 1398 O PHE A 139 40.031 4.567 8.362 1.00 0.00 O ATOM 1399 CB PHE A 139 40.973 1.809 7.355 1.00 0.00 C ATOM 1400 CG PHE A 139 40.636 0.927 6.188 1.00 0.00 C ATOM 1401 CD1 PHE A 139 41.558 0.716 5.173 1.00 0.00 C ATOM 1402 CD2 PHE A 139 39.398 0.313 6.103 1.00 0.00 C ATOM 1403 CE1 PHE A 139 41.247 -0.094 4.096 1.00 0.00 C ATOM 1404 CE2 PHE A 139 39.084 -0.498 5.028 1.00 0.00 C ATOM 1405 CZ PHE A 139 40.011 -0.701 4.023 1.00 0.00 C ATOM 0 H PHE A 139 43.305 2.327 6.772 1.00 0.00 H new ATOM 0 HA PHE A 139 40.821 3.549 6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.768 1.343 7.937 1.00 0.00 H new ATOM 0 HB3 PHE A 139 40.103 1.885 8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 139 42.528 1.189 5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.670 0.469 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 139 41.973 -0.251 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 139 38.115 -0.972 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 139 39.768 -1.334 3.182 1.00 0.00 H new ATOM 1415 N ALA A 140 42.244 4.611 8.755 1.00 0.00 N ATOM 1416 CA ALA A 140 42.129 5.545 9.869 1.00 0.00 C ATOM 1417 C ALA A 140 42.613 6.946 9.492 1.00 0.00 C ATOM 1418 O ALA A 140 42.579 7.861 10.315 1.00 0.00 O ATOM 1419 CB ALA A 140 42.905 5.028 11.070 1.00 0.00 C ATOM 0 H ALA A 140 43.198 4.317 8.546 1.00 0.00 H new ATOM 0 HA ALA A 140 41.072 5.620 10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 140 42.811 5.734 11.895 1.00 0.00 H new ATOM 0 HB2 ALA A 140 42.504 4.061 11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 140 43.956 4.918 10.804 1.00 0.00 H new ATOM 1425 N LEU A 141 43.066 7.113 8.252 1.00 0.00 N ATOM 1426 CA LEU A 141 43.554 8.408 7.791 1.00 0.00 C ATOM 1427 C LEU A 141 42.424 9.248 7.202 1.00 0.00 C ATOM 1428 O LEU A 141 41.344 8.736 6.905 1.00 0.00 O ATOM 1429 CB LEU A 141 44.663 8.222 6.754 1.00 0.00 C ATOM 1430 CG LEU A 141 45.783 9.267 6.798 1.00 0.00 C ATOM 1431 CD1 LEU A 141 46.299 9.444 8.219 1.00 0.00 C ATOM 1432 CD2 LEU A 141 46.917 8.872 5.862 1.00 0.00 C ATOM 0 H LEU A 141 43.105 6.372 7.552 1.00 0.00 H new ATOM 0 HA LEU A 141 43.958 8.938 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 141 45.104 7.235 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 141 44.215 8.236 5.761 1.00 0.00 H new ATOM 0 HG LEU A 141 45.375 10.221 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 141 47.093 10.190 8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 141 45.484 9.774 8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 141 46.689 8.494 8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 141 47.704 9.625 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 141 47.321 7.907 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 141 46.539 8.801 4.842 1.00 0.00 H new ATOM 1444 N ARG A 142 42.685 10.541 7.039 1.00 0.00 N ATOM 1445 CA ARG A 142 41.697 11.464 6.486 1.00 0.00 C ATOM 1446 C ARG A 142 41.954 11.707 5.001 1.00 0.00 C ATOM 1447 O ARG A 142 43.103 11.736 4.558 1.00 0.00 O ATOM 1448 CB ARG A 142 41.733 12.789 7.254 1.00 0.00 C ATOM 1449 CG ARG A 142 40.771 13.841 6.721 1.00 0.00 C ATOM 1450 CD ARG A 142 41.440 15.202 6.611 1.00 0.00 C ATOM 1451 NE ARG A 142 40.629 16.154 5.853 1.00 0.00 N ATOM 1452 CZ ARG A 142 39.624 16.853 6.376 1.00 0.00 C ATOM 1453 NH1 ARG A 142 39.300 16.710 7.656 1.00 0.00 N ATOM 1454 NH2 ARG A 142 38.941 17.699 5.617 1.00 0.00 N ATOM 0 H ARG A 142 43.575 10.976 7.283 1.00 0.00 H new ATOM 0 HA ARG A 142 40.708 11.017 6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 142 41.500 12.596 8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 142 42.747 13.189 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 142 40.402 13.536 5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 142 39.906 13.912 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 142 41.623 15.597 7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 142 42.412 15.090 6.130 1.00 0.00 H new ATOM 0 HE ARG A 142 40.846 16.290 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 142 39.822 16.061 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 142 38.529 17.249 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 142 39.186 17.814 4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 142 38.171 18.235 6.017 1.00 0.00 H new ATOM 1468 N THR A 143 40.879 11.881 4.236 1.00 0.00 N ATOM 1469 CA THR A 143 40.990 12.122 2.799 1.00 0.00 C ATOM 1470 C THR A 143 41.923 13.295 2.512 1.00 0.00 C ATOM 1471 O THR A 143 41.663 14.424 2.928 1.00 0.00 O ATOM 1472 CB THR A 143 39.609 12.394 2.195 1.00 0.00 C ATOM 1473 OG1 THR A 143 38.584 12.085 3.121 1.00 0.00 O ATOM 1474 CG2 THR A 143 39.343 11.598 0.934 1.00 0.00 C ATOM 0 H THR A 143 39.921 11.860 4.587 1.00 0.00 H new ATOM 0 HA THR A 143 41.410 11.227 2.340 1.00 0.00 H new ATOM 0 HB THR A 143 39.607 13.455 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 143 37.711 12.268 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 143 38.349 11.836 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 143 40.088 11.851 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 143 39.401 10.533 1.157 1.00 0.00 H new ATOM 1482 N GLY A 144 43.010 13.019 1.802 1.00 0.00 N ATOM 1483 CA GLY A 144 43.967 14.059 1.474 1.00 0.00 C ATOM 1484 C GLY A 144 45.092 14.155 2.486 1.00 0.00 C ATOM 1485 O GLY A 144 45.770 15.179 2.575 1.00 0.00 O ATOM 0 H GLY A 144 43.246 12.092 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 144 44.386 13.864 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 144 43.451 15.018 1.417 1.00 0.00 H new ATOM 1489 N GLU A 145 45.294 13.085 3.251 1.00 0.00 N ATOM 1490 CA GLU A 145 46.347 13.053 4.260 1.00 0.00 C ATOM 1491 C GLU A 145 47.285 11.873 4.026 1.00 0.00 C ATOM 1492 O GLU A 145 46.937 10.921 3.325 1.00 0.00 O ATOM 1493 CB GLU A 145 45.737 12.966 5.660 1.00 0.00 C ATOM 1494 CG GLU A 145 45.072 14.255 6.115 1.00 0.00 C ATOM 1495 CD GLU A 145 46.056 15.401 6.250 1.00 0.00 C ATOM 1496 OE1 GLU A 145 47.273 15.131 6.337 1.00 0.00 O ATOM 1497 OE2 GLU A 145 45.610 16.566 6.268 1.00 0.00 O ATOM 0 H GLU A 145 44.742 12.229 3.191 1.00 0.00 H new ATOM 0 HA GLU A 145 46.924 13.975 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 145 45.002 12.162 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 145 46.518 12.699 6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 145 44.295 14.530 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 145 44.581 14.088 7.073 1.00 0.00 H new ATOM 1504 N MET A 146 48.476 11.944 4.615 1.00 0.00 N ATOM 1505 CA MET A 146 49.464 10.884 4.468 1.00 0.00 C ATOM 1506 C MET A 146 49.708 10.173 5.793 1.00 0.00 C ATOM 1507 O MET A 146 49.621 10.775 6.864 1.00 0.00 O ATOM 1508 CB MET A 146 50.775 11.454 3.924 1.00 0.00 C ATOM 1509 CG MET A 146 51.123 10.947 2.534 1.00 0.00 C ATOM 1510 SD MET A 146 51.803 12.233 1.467 1.00 0.00 S ATOM 1511 CE MET A 146 50.577 13.524 1.657 1.00 0.00 C ATOM 0 H MET A 146 48.778 12.725 5.198 1.00 0.00 H new ATOM 0 HA MET A 146 49.073 10.154 3.759 1.00 0.00 H new ATOM 0 HB2 MET A 146 50.707 12.542 3.900 1.00 0.00 H new ATOM 0 HB3 MET A 146 51.585 11.200 4.608 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.844 10.134 2.619 1.00 0.00 H new ATOM 0 HG3 MET A 146 50.228 10.532 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 146 50.114 13.731 0.692 1.00 0.00 H new ATOM 0 HE2 MET A 146 49.813 13.199 2.364 1.00 0.00 H new ATOM 0 HE3 MET A 146 51.056 14.429 2.031 1.00 0.00 H new ATOM 1521 N SER A 147 50.012 8.884 5.705 1.00 0.00 N ATOM 1522 CA SER A 147 50.268 8.073 6.886 1.00 0.00 C ATOM 1523 C SER A 147 51.748 8.088 7.255 1.00 0.00 C ATOM 1524 O SER A 147 52.603 8.381 6.419 1.00 0.00 O ATOM 1525 CB SER A 147 49.809 6.637 6.638 1.00 0.00 C ATOM 1526 OG SER A 147 50.823 5.882 5.996 1.00 0.00 O ATOM 0 H SER A 147 50.087 8.377 4.823 1.00 0.00 H new ATOM 0 HA SER A 147 49.706 8.497 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 147 49.546 6.167 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 147 48.909 6.640 6.023 1.00 0.00 H new ATOM 0 HG SER A 147 51.073 5.122 6.562 1.00 0.00 H new ATOM 1532 N GLY A 148 52.042 7.761 8.507 1.00 0.00 N ATOM 1533 CA GLY A 148 53.420 7.733 8.960 1.00 0.00 C ATOM 1534 C GLY A 148 54.194 6.572 8.364 1.00 0.00 C ATOM 1535 O GLY A 148 53.595 5.631 7.845 1.00 0.00 O ATOM 0 H GLY A 148 51.352 7.515 9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 148 53.908 8.670 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.442 7.663 10.047 1.00 0.00 H new ATOM 1539 N PRO A 149 55.535 6.610 8.420 1.00 0.00 N ATOM 1540 CA PRO A 149 56.374 5.539 7.873 1.00 0.00 C ATOM 1541 C PRO A 149 56.026 4.176 8.461 1.00 0.00 C ATOM 1542 O PRO A 149 56.066 3.985 9.676 1.00 0.00 O ATOM 1543 CB PRO A 149 57.792 5.949 8.279 1.00 0.00 C ATOM 1544 CG PRO A 149 57.719 7.421 8.499 1.00 0.00 C ATOM 1545 CD PRO A 149 56.336 7.692 9.018 1.00 0.00 C ATOM 0 HA PRO A 149 56.242 5.429 6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 149 58.109 5.430 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.513 5.702 7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.475 7.747 9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 149 57.901 7.964 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 149 56.302 7.664 10.107 1.00 0.00 H new ATOM 0 HD3 PRO A 149 55.977 8.675 8.713 1.00 0.00 H new ATOM 1553 N VAL A 150 55.680 3.234 7.589 1.00 0.00 N ATOM 1554 CA VAL A 150 55.322 1.889 8.020 1.00 0.00 C ATOM 1555 C VAL A 150 56.427 0.896 7.679 1.00 0.00 C ATOM 1556 O VAL A 150 56.771 0.712 6.513 1.00 0.00 O ATOM 1557 CB VAL A 150 54.008 1.423 7.364 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.522 0.124 7.991 1.00 0.00 C ATOM 1559 CG2 VAL A 150 52.942 2.507 7.469 1.00 0.00 C ATOM 0 H VAL A 150 55.640 3.378 6.580 1.00 0.00 H new ATOM 0 HA VAL A 150 55.187 1.924 9.101 1.00 0.00 H new ATOM 0 HB VAL A 150 54.201 1.236 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.593 -0.186 7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 150 54.277 -0.651 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.348 0.277 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 150 52.022 2.159 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.752 2.730 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.289 3.408 6.963 1.00 0.00 H new ATOM 1569 N PHE A 151 56.982 0.261 8.707 1.00 0.00 N ATOM 1570 CA PHE A 151 58.052 -0.712 8.514 1.00 0.00 C ATOM 1571 C PHE A 151 57.486 -2.084 8.157 1.00 0.00 C ATOM 1572 O PHE A 151 56.738 -2.680 8.932 1.00 0.00 O ATOM 1573 CB PHE A 151 58.908 -0.819 9.777 1.00 0.00 C ATOM 1574 CG PHE A 151 59.589 0.465 10.161 1.00 0.00 C ATOM 1575 CD1 PHE A 151 58.884 1.479 10.791 1.00 0.00 C ATOM 1576 CD2 PHE A 151 60.937 0.653 9.902 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.512 2.657 11.154 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.571 1.827 10.261 1.00 0.00 C ATOM 1579 CZ PHE A 151 60.858 2.830 10.890 1.00 0.00 C ATOM 0 H PHE A 151 56.709 0.402 9.680 1.00 0.00 H new ATOM 0 HA PHE A 151 58.673 -0.367 7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.278 -1.147 10.604 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.664 -1.590 9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 151 57.833 1.348 11.001 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.500 -0.128 9.413 1.00 0.00 H new ATOM 0 HE1 PHE A 151 58.952 3.440 11.643 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.622 1.961 10.050 1.00 0.00 H new ATOM 0 HZ PHE A 151 61.351 3.747 11.175 1.00 0.00 H new ATOM 1589 N THR A 152 57.848 -2.579 6.978 1.00 0.00 N ATOM 1590 CA THR A 152 57.384 -3.880 6.513 1.00 0.00 C ATOM 1591 C THR A 152 58.549 -4.702 5.967 1.00 0.00 C ATOM 1592 O THR A 152 59.646 -4.180 5.765 1.00 0.00 O ATOM 1593 CB THR A 152 56.308 -3.710 5.435 1.00 0.00 C ATOM 1594 OG1 THR A 152 56.899 -3.483 4.167 1.00 0.00 O ATOM 1595 CG2 THR A 152 55.358 -2.563 5.710 1.00 0.00 C ATOM 0 H THR A 152 58.464 -2.096 6.325 1.00 0.00 H new ATOM 0 HA THR A 152 56.951 -4.411 7.360 1.00 0.00 H new ATOM 0 HB THR A 152 55.741 -4.641 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 152 56.196 -3.378 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 152 54.622 -2.500 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.848 -2.733 6.658 1.00 0.00 H new ATOM 0 HG23 THR A 152 55.919 -1.630 5.762 1.00 0.00 H new ATOM 1603 N ASP A 153 58.303 -5.992 5.739 1.00 0.00 N ATOM 1604 CA ASP A 153 59.328 -6.904 5.225 1.00 0.00 C ATOM 1605 C ASP A 153 60.212 -6.233 4.171 1.00 0.00 C ATOM 1606 O ASP A 153 61.432 -6.399 4.176 1.00 0.00 O ATOM 1607 CB ASP A 153 58.672 -8.151 4.631 1.00 0.00 C ATOM 1608 CG ASP A 153 58.277 -9.158 5.695 1.00 0.00 C ATOM 1609 OD1 ASP A 153 59.181 -9.698 6.365 1.00 0.00 O ATOM 1610 OD2 ASP A 153 57.064 -9.405 5.857 1.00 0.00 O ATOM 0 H ASP A 153 57.398 -6.432 5.903 1.00 0.00 H new ATOM 0 HA ASP A 153 59.964 -7.187 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 153 57.788 -7.859 4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 153 59.360 -8.620 3.928 1.00 0.00 H new ATOM 1615 N SER A 154 59.590 -5.476 3.274 1.00 0.00 N ATOM 1616 CA SER A 154 60.327 -4.784 2.222 1.00 0.00 C ATOM 1617 C SER A 154 61.111 -3.607 2.794 1.00 0.00 C ATOM 1618 O SER A 154 62.296 -3.445 2.510 1.00 0.00 O ATOM 1619 CB SER A 154 59.372 -4.296 1.133 1.00 0.00 C ATOM 1620 OG SER A 154 58.380 -5.268 0.851 1.00 0.00 O ATOM 0 H SER A 154 58.581 -5.326 3.254 1.00 0.00 H new ATOM 0 HA SER A 154 61.032 -5.490 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 154 58.896 -3.368 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 154 59.934 -4.072 0.226 1.00 0.00 H new ATOM 0 HG SER A 154 58.807 -6.081 0.509 1.00 0.00 H new ATOM 1626 N GLY A 155 60.443 -2.788 3.600 1.00 0.00 N ATOM 1627 CA GLY A 155 61.101 -1.639 4.194 1.00 0.00 C ATOM 1628 C GLY A 155 60.119 -0.649 4.779 1.00 0.00 C ATOM 1629 O GLY A 155 59.362 -0.980 5.687 1.00 0.00 O ATOM 0 H GLY A 155 59.461 -2.899 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.781 -1.977 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.708 -1.141 3.438 1.00 0.00 H new ATOM 1633 N ILE A 156 60.131 0.569 4.255 1.00 0.00 N ATOM 1634 CA ILE A 156 59.232 1.609 4.732 1.00 0.00 C ATOM 1635 C ILE A 156 58.194 1.953 3.671 1.00 0.00 C ATOM 1636 O ILE A 156 58.508 2.035 2.483 1.00 0.00 O ATOM 1637 CB ILE A 156 60.011 2.880 5.137 1.00 0.00 C ATOM 1638 CG1 ILE A 156 60.727 2.642 6.475 1.00 0.00 C ATOM 1639 CG2 ILE A 156 59.081 4.087 5.218 1.00 0.00 C ATOM 1640 CD1 ILE A 156 60.116 3.387 7.645 1.00 0.00 C ATOM 0 H ILE A 156 60.753 0.860 3.501 1.00 0.00 H new ATOM 0 HA ILE A 156 58.722 1.223 5.614 1.00 0.00 H new ATOM 0 HB ILE A 156 60.758 3.095 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 156 60.719 1.574 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 156 61.771 2.939 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 156 59.654 4.969 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.618 4.255 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 156 58.306 3.900 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 156 60.679 3.166 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 156 60.148 4.459 7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 156 59.080 3.073 7.775 1.00 0.00 H new ATOM 1652 N HIS A 157 56.958 2.159 4.108 1.00 0.00 N ATOM 1653 CA HIS A 157 55.879 2.498 3.195 1.00 0.00 C ATOM 1654 C HIS A 157 55.062 3.676 3.702 1.00 0.00 C ATOM 1655 O HIS A 157 54.793 3.803 4.896 1.00 0.00 O ATOM 1656 CB HIS A 157 54.930 1.324 2.994 1.00 0.00 C ATOM 1657 CG HIS A 157 55.514 0.162 2.250 1.00 0.00 C ATOM 1658 ND1 HIS A 157 54.960 -0.332 1.090 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.587 -0.623 2.517 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.662 -1.368 0.674 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.656 -1.567 1.521 1.00 0.00 N ATOM 0 H HIS A 157 56.680 2.097 5.087 1.00 0.00 H new ATOM 0 HA HIS A 157 56.355 2.759 2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.591 0.978 3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 157 54.049 1.675 2.457 1.00 0.00 H new ATOM 0 HD1 HIS A 157 54.134 0.045 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 157 57.261 -0.525 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.459 -1.955 -0.210 1.00 0.00 H new ATOM 1670 N ILE A 158 54.640 4.504 2.766 1.00 0.00 N ATOM 1671 CA ILE A 158 53.809 5.655 3.062 1.00 0.00 C ATOM 1672 C ILE A 158 52.482 5.507 2.335 1.00 0.00 C ATOM 1673 O ILE A 158 52.439 4.957 1.238 1.00 0.00 O ATOM 1674 CB ILE A 158 54.497 6.976 2.650 1.00 0.00 C ATOM 1675 CG1 ILE A 158 55.403 7.441 3.778 1.00 0.00 C ATOM 1676 CG2 ILE A 158 53.474 8.053 2.301 1.00 0.00 C ATOM 1677 CD1 ILE A 158 56.005 8.813 3.551 1.00 0.00 C ATOM 0 H ILE A 158 54.864 4.397 1.777 1.00 0.00 H new ATOM 0 HA ILE A 158 53.644 5.696 4.139 1.00 0.00 H new ATOM 0 HB ILE A 158 55.093 6.796 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 158 54.834 7.453 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 158 56.208 6.718 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 158 53.992 8.968 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 158 52.856 7.712 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 158 52.842 8.249 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.639 9.077 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 158 56.603 8.802 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 158 55.207 9.549 3.453 1.00 0.00 H new ATOM 1689 N ILE A 159 51.400 5.975 2.943 1.00 0.00 N ATOM 1690 CA ILE A 159 50.091 5.856 2.318 1.00 0.00 C ATOM 1691 C ILE A 159 49.316 7.166 2.361 1.00 0.00 C ATOM 1692 O ILE A 159 49.424 7.939 3.313 1.00 0.00 O ATOM 1693 CB ILE A 159 49.258 4.746 2.980 1.00 0.00 C ATOM 1694 CG1 ILE A 159 50.061 3.446 3.030 1.00 0.00 C ATOM 1695 CG2 ILE A 159 47.950 4.541 2.228 1.00 0.00 C ATOM 1696 CD1 ILE A 159 50.622 3.127 4.399 1.00 0.00 C ATOM 0 H ILE A 159 51.402 6.434 3.854 1.00 0.00 H new ATOM 0 HA ILE A 159 50.269 5.597 1.274 1.00 0.00 H new ATOM 0 HB ILE A 159 49.020 5.047 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.423 2.623 2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 159 50.883 3.510 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.373 3.752 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.376 5.468 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 159 48.163 4.257 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 159 51.179 2.191 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 159 51.287 3.930 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 159 49.805 3.030 5.114 1.00 0.00 H new ATOM 1708 N LEU A 160 48.533 7.404 1.314 1.00 0.00 N ATOM 1709 CA LEU A 160 47.728 8.614 1.211 1.00 0.00 C ATOM 1710 C LEU A 160 46.298 8.273 0.812 1.00 0.00 C ATOM 1711 O LEU A 160 46.068 7.587 -0.184 1.00 0.00 O ATOM 1712 CB LEU A 160 48.338 9.573 0.188 1.00 0.00 C ATOM 1713 CG LEU A 160 47.529 10.848 -0.060 1.00 0.00 C ATOM 1714 CD1 LEU A 160 48.206 12.047 0.584 1.00 0.00 C ATOM 1715 CD2 LEU A 160 47.338 11.079 -1.552 1.00 0.00 C ATOM 0 H LEU A 160 48.439 6.770 0.521 1.00 0.00 H new ATOM 0 HA LEU A 160 47.714 9.099 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 160 49.336 9.853 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 160 48.456 9.045 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 160 46.547 10.724 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 160 47.615 12.943 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 160 48.287 11.885 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 160 49.202 12.174 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 160 46.760 11.990 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 160 48.311 11.180 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 160 46.805 10.233 -1.986 1.00 0.00 H new ATOM 1727 N ARG A 161 45.340 8.756 1.592 1.00 0.00 N ATOM 1728 CA ARG A 161 43.931 8.501 1.314 1.00 0.00 C ATOM 1729 C ARG A 161 43.426 9.409 0.199 1.00 0.00 C ATOM 1730 O ARG A 161 43.517 10.633 0.294 1.00 0.00 O ATOM 1731 CB ARG A 161 43.096 8.709 2.578 1.00 0.00 C ATOM 1732 CG ARG A 161 41.893 7.786 2.672 1.00 0.00 C ATOM 1733 CD ARG A 161 40.693 8.492 3.287 1.00 0.00 C ATOM 1734 NE ARG A 161 39.537 8.487 2.394 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.291 8.732 2.794 1.00 0.00 C ATOM 1736 NH1 ARG A 161 38.038 9.001 4.069 1.00 0.00 N ATOM 1737 NH2 ARG A 161 37.297 8.708 1.918 1.00 0.00 N ATOM 0 H ARG A 161 45.511 9.325 2.421 1.00 0.00 H new ATOM 0 HA ARG A 161 43.830 7.466 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 161 43.730 8.556 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 161 42.753 9.743 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 161 41.633 7.424 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 161 42.149 6.913 3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 161 40.428 8.005 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 161 40.961 9.521 3.526 1.00 0.00 H new ATOM 0 HE ARG A 161 39.693 8.284 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 161 38.800 9.021 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 161 37.082 9.188 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.486 8.502 0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.342 8.896 2.225 1.00 0.00 H new ATOM 1751 N THR A 162 42.894 8.804 -0.858 1.00 0.00 N ATOM 1752 CA THR A 162 42.377 9.562 -1.990 1.00 0.00 C ATOM 1753 C THR A 162 40.869 9.752 -1.873 1.00 0.00 C ATOM 1754 O THR A 162 40.367 10.873 -1.949 1.00 0.00 O ATOM 1755 CB THR A 162 42.712 8.852 -3.303 1.00 0.00 C ATOM 1756 OG1 THR A 162 43.824 7.992 -3.139 1.00 0.00 O ATOM 1757 CG2 THR A 162 43.032 9.806 -4.434 1.00 0.00 C ATOM 0 H THR A 162 42.810 7.792 -0.954 1.00 0.00 H new ATOM 0 HA THR A 162 42.851 10.543 -1.985 1.00 0.00 H new ATOM 0 HB THR A 162 41.815 8.291 -3.565 1.00 0.00 H new ATOM 0 HG1 THR A 162 44.219 7.797 -4.015 1.00 0.00 H new ATOM 0 HG21 THR A 162 43.260 9.238 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 162 42.173 10.451 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 162 43.893 10.417 -4.162 1.00 0.00 H new ATOM 1765 N GLU A 163 40.150 8.649 -1.688 1.00 0.00 N ATOM 1766 CA GLU A 163 38.697 8.695 -1.560 1.00 0.00 C ATOM 1767 C GLU A 163 38.121 7.295 -1.372 1.00 0.00 C ATOM 1768 O GLU A 163 38.842 6.427 -0.836 1.00 0.00 O ATOM 1769 CB GLU A 163 38.075 9.356 -2.794 1.00 0.00 C ATOM 1770 CG GLU A 163 36.997 10.375 -2.461 1.00 0.00 C ATOM 1771 CD GLU A 163 36.788 11.387 -3.570 1.00 0.00 C ATOM 1772 OE1 GLU A 163 37.792 11.829 -4.168 1.00 0.00 O ATOM 1773 OE2 GLU A 163 35.621 11.740 -3.841 1.00 0.00 O ATOM 1774 OXT GLU A 163 36.954 7.080 -1.762 1.00 0.00 O ATOM 0 H GLU A 163 40.549 7.713 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 163 38.454 9.288 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 163 38.861 9.846 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 163 37.648 8.583 -3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 163 36.059 9.855 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 163 37.267 10.898 -1.544 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 60.378 -7.403 -0.235 1.00 0.00 S HETATM 1783 O1 SO4 A 200 61.740 -6.840 -0.157 1.00 0.00 O HETATM 1784 O2 SO4 A 200 60.438 -8.753 -0.825 1.00 0.00 O HETATM 1785 O3 SO4 A 200 59.534 -6.535 -1.077 1.00 0.00 O HETATM 1786 O4 SO4 A 200 59.802 -7.483 1.121 1.00 0.00 O