USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 0.522 K(o=1.3,f=-2.5) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.806 K(o=1.3,f=-2.7) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.339 K(o=0.15,f=-2.8) USER MOD Set 2.2: A 16 ASN : amide:sc= -0.184 K(o=0.15,f=-2.6) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 179:sc= 1.09 USER MOD Single : A 8 THR OG1 : rot -99:sc= 2.06 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-2.3) USER MOD Single : A 17 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 4:sc= 0.528 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.215 K(o=-0.21,f=-0.75) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 122:sc= 1.14 (180deg=-1.19) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.574 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 120:sc= 2.01 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0821 USER MOD Single : A 71 SER OG : rot -60:sc= 0.169 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.05 (180deg=0.59) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-4.4!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.315 (180deg=-0.315) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -1.58 (180deg=-1.73!) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -1.18 (180deg=-2.23!) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.118 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 3.392 -6.883 -18.293 1.00 10.00 N ATOM 2 CA ALA A 3 2.012 -7.177 -18.719 1.00 10.00 C ATOM 3 C ALA A 3 1.087 -6.663 -17.626 1.00 10.00 C ATOM 4 O ALA A 3 1.542 -6.583 -16.488 1.00 10.00 O ATOM 5 CB ALA A 3 1.817 -8.680 -18.951 1.00 10.00 C ATOM 0 HA ALA A 3 1.789 -6.687 -19.667 1.00 10.00 H new ATOM 0 HB1 ALA A 3 0.790 -8.870 -19.264 1.00 10.00 H new ATOM 0 HB2 ALA A 3 2.502 -9.020 -19.727 1.00 10.00 H new ATOM 0 HB3 ALA A 3 2.020 -9.220 -18.026 1.00 10.00 H new ATOM 13 N VAL A 4 -0.145 -6.269 -17.953 1.00 10.00 N ATOM 14 CA VAL A 4 -1.095 -5.864 -16.929 1.00 10.00 C ATOM 15 C VAL A 4 -1.619 -7.132 -16.261 1.00 10.00 C ATOM 16 O VAL A 4 -1.832 -8.147 -16.925 1.00 10.00 O ATOM 17 CB VAL A 4 -2.223 -5.002 -17.521 1.00 10.00 C ATOM 18 CG1 VAL A 4 -3.223 -4.591 -16.432 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.641 -3.729 -18.146 1.00 10.00 C ATOM 0 H VAL A 4 -0.500 -6.224 -18.908 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.610 -5.235 -16.183 1.00 10.00 H new ATOM 0 HB VAL A 4 -2.733 -5.596 -18.280 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -4.012 -3.982 -16.874 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -3.661 -5.483 -15.985 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -2.708 -4.015 -15.663 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.448 -3.126 -18.562 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -1.117 -3.155 -17.382 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -0.944 -3.999 -18.939 1.00 10.00 H new ATOM 29 N LYS A 5 -1.796 -7.080 -14.945 1.00 10.00 N ATOM 30 CA LYS A 5 -2.343 -8.164 -14.160 1.00 10.00 C ATOM 31 C LYS A 5 -3.035 -7.515 -12.971 1.00 10.00 C ATOM 32 O LYS A 5 -2.620 -6.445 -12.521 1.00 10.00 O ATOM 33 CB LYS A 5 -1.217 -9.130 -13.763 1.00 10.00 C ATOM 34 CG LYS A 5 -1.718 -10.408 -13.070 1.00 10.00 C ATOM 35 CD LYS A 5 -0.949 -11.636 -13.584 1.00 10.00 C ATOM 36 CE LYS A 5 -1.426 -12.061 -14.988 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.129 -13.362 -14.975 1.00 10.00 N ATOM 0 H LYS A 5 -1.555 -6.260 -14.388 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.067 -8.767 -14.708 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.656 -9.407 -14.655 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.524 -8.614 -13.098 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.591 -10.317 -11.991 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.784 -10.535 -13.256 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.117 -11.411 -13.614 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.080 -12.465 -12.889 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.090 -11.296 -15.390 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -0.568 -12.122 -15.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.430 -13.604 -15.941 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.489 -14.099 -14.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.964 -13.299 -14.358 1.00 10.00 H new ATOM 51 N TYR A 6 -4.124 -8.132 -12.521 1.00 10.00 N ATOM 52 CA TYR A 6 -4.951 -7.632 -11.454 1.00 10.00 C ATOM 53 C TYR A 6 -4.929 -8.658 -10.327 1.00 10.00 C ATOM 54 O TYR A 6 -4.716 -9.839 -10.601 1.00 10.00 O ATOM 55 CB TYR A 6 -6.370 -7.423 -11.979 1.00 10.00 C ATOM 56 CG TYR A 6 -6.494 -6.683 -13.297 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.353 -7.379 -14.513 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.771 -5.306 -13.313 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.394 -6.682 -15.732 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.803 -4.606 -14.531 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.593 -5.292 -15.739 1.00 10.00 C ATOM 62 OH TYR A 6 -6.545 -4.610 -16.917 1.00 10.00 O ATOM 0 H TYR A 6 -4.455 -9.017 -12.906 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.583 -6.676 -11.080 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.842 -8.399 -12.089 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.937 -6.877 -11.225 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.213 -8.450 -14.508 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.960 -4.784 -12.387 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.273 -7.215 -16.663 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.989 -3.542 -14.539 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.704 -3.657 -16.750 1.00 10.00 H new ATOM 72 N TYR A 7 -5.147 -8.222 -9.086 1.00 10.00 N ATOM 73 CA TYR A 7 -5.168 -9.099 -7.923 1.00 10.00 C ATOM 74 C TYR A 7 -6.498 -8.911 -7.198 1.00 10.00 C ATOM 75 O TYR A 7 -7.037 -7.803 -7.168 1.00 10.00 O ATOM 76 CB TYR A 7 -3.976 -8.790 -7.014 1.00 10.00 C ATOM 77 CG TYR A 7 -2.649 -8.688 -7.738 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.956 -9.845 -8.143 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.153 -7.422 -8.090 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.777 -9.728 -8.904 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.970 -7.307 -8.829 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.287 -8.457 -9.253 1.00 10.00 C ATOM 83 OH TYR A 7 0.821 -8.337 -10.040 1.00 10.00 O ATOM 0 H TYR A 7 -5.315 -7.241 -8.862 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.080 -10.142 -8.227 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.165 -7.851 -6.493 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.903 -9.568 -6.254 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.328 -10.821 -7.870 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.687 -6.533 -7.789 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.249 -10.615 -9.220 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.581 -6.330 -9.074 1.00 10.00 H new ATOM 0 HH TYR A 7 1.010 -7.388 -10.196 1.00 10.00 H new ATOM 93 N THR A 8 -7.052 -10.002 -6.670 1.00 10.00 N ATOM 94 CA THR A 8 -8.303 -9.975 -5.928 1.00 10.00 C ATOM 95 C THR A 8 -8.055 -9.397 -4.536 1.00 10.00 C ATOM 96 O THR A 8 -6.926 -9.436 -4.041 1.00 10.00 O ATOM 97 CB THR A 8 -8.889 -11.393 -5.829 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.127 -12.159 -4.915 1.00 10.00 O ATOM 99 CG2 THR A 8 -8.967 -12.081 -7.196 1.00 10.00 C ATOM 0 H THR A 8 -6.640 -10.932 -6.748 1.00 10.00 H new ATOM 0 HA THR A 8 -9.022 -9.344 -6.450 1.00 10.00 H new ATOM 0 HB THR A 8 -9.913 -11.313 -5.463 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.500 -12.728 -5.408 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.387 -13.080 -7.077 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.603 -11.497 -7.862 1.00 10.00 H new ATOM 0 HG23 THR A 8 -7.967 -12.156 -7.623 1.00 10.00 H new ATOM 107 N LEU A 9 -9.112 -8.905 -3.880 1.00 10.00 N ATOM 108 CA LEU A 9 -9.022 -8.481 -2.491 1.00 10.00 C ATOM 109 C LEU A 9 -8.424 -9.607 -1.650 1.00 10.00 C ATOM 110 O LEU A 9 -7.587 -9.343 -0.800 1.00 10.00 O ATOM 111 CB LEU A 9 -10.400 -8.062 -1.953 1.00 10.00 C ATOM 112 CG LEU A 9 -10.370 -6.688 -1.253 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.765 -6.288 -0.750 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.411 -6.641 -0.055 1.00 10.00 C ATOM 0 H LEU A 9 -10.037 -8.793 -4.295 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.369 -7.610 -2.429 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.113 -8.031 -2.777 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.756 -8.816 -1.251 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.018 -5.991 -2.013 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.710 -5.315 -0.261 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.454 -6.233 -1.593 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.122 -7.032 -0.038 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.437 -5.648 0.393 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.717 -7.381 0.685 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.398 -6.861 -0.391 1.00 10.00 H new ATOM 126 N GLU A 10 -8.836 -10.853 -1.911 1.00 10.00 N ATOM 127 CA GLU A 10 -8.321 -12.047 -1.247 1.00 10.00 C ATOM 128 C GLU A 10 -6.802 -12.159 -1.406 1.00 10.00 C ATOM 129 O GLU A 10 -6.059 -12.189 -0.425 1.00 10.00 O ATOM 130 CB GLU A 10 -9.016 -13.295 -1.804 1.00 10.00 C ATOM 131 CG GLU A 10 -8.790 -14.526 -0.914 1.00 10.00 C ATOM 132 CD GLU A 10 -9.525 -14.426 0.416 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.772 -14.480 0.378 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.822 -14.304 1.442 1.00 10.00 O ATOM 0 H GLU A 10 -9.553 -11.059 -2.606 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.536 -11.967 -0.181 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.085 -13.104 -1.894 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.643 -13.500 -2.808 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.123 -15.419 -1.443 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.723 -14.645 -0.728 1.00 10.00 H new ATOM 141 N GLU A 11 -6.328 -12.226 -2.651 1.00 10.00 N ATOM 142 CA GLU A 11 -4.906 -12.319 -2.932 1.00 10.00 C ATOM 143 C GLU A 11 -4.158 -11.199 -2.211 1.00 10.00 C ATOM 144 O GLU A 11 -3.193 -11.452 -1.495 1.00 10.00 O ATOM 145 CB GLU A 11 -4.662 -12.272 -4.446 1.00 10.00 C ATOM 146 CG GLU A 11 -4.429 -13.676 -5.017 1.00 10.00 C ATOM 147 CD GLU A 11 -5.644 -14.574 -4.834 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.674 -14.247 -5.465 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.517 -15.553 -4.065 1.00 10.00 O ATOM 0 H GLU A 11 -6.919 -12.217 -3.483 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.526 -13.271 -2.562 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.518 -11.814 -4.940 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.797 -11.643 -4.658 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.190 -13.601 -6.078 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.567 -14.128 -4.527 1.00 10.00 H new ATOM 156 N ILE A 12 -4.619 -9.960 -2.369 1.00 10.00 N ATOM 157 CA ILE A 12 -3.995 -8.815 -1.725 1.00 10.00 C ATOM 158 C ILE A 12 -4.012 -8.996 -0.192 1.00 10.00 C ATOM 159 O ILE A 12 -3.001 -8.782 0.476 1.00 10.00 O ATOM 160 CB ILE A 12 -4.671 -7.522 -2.222 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.572 -7.390 -3.757 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.007 -6.295 -1.588 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.682 -6.498 -4.321 1.00 10.00 C ATOM 0 H ILE A 12 -5.429 -9.726 -2.943 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.943 -8.736 -1.998 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.721 -7.575 -1.933 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.600 -6.975 -4.025 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.633 -8.379 -4.212 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.495 -5.390 -1.949 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.101 -6.350 -0.503 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.952 -6.271 -1.860 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.579 -6.429 -5.404 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.654 -6.927 -4.076 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.605 -5.502 -3.885 1.00 10.00 H new ATOM 175 N GLN A 13 -5.137 -9.450 0.366 1.00 10.00 N ATOM 176 CA GLN A 13 -5.304 -9.793 1.770 1.00 10.00 C ATOM 177 C GLN A 13 -4.322 -10.869 2.223 1.00 10.00 C ATOM 178 O GLN A 13 -3.895 -10.839 3.367 1.00 10.00 O ATOM 179 CB GLN A 13 -6.747 -10.235 2.044 1.00 10.00 C ATOM 180 CG GLN A 13 -7.670 -9.060 2.388 1.00 10.00 C ATOM 181 CD GLN A 13 -7.967 -8.996 3.885 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.111 -9.280 4.721 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.208 -8.671 4.241 1.00 10.00 N ATOM 0 H GLN A 13 -5.989 -9.593 -0.176 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.088 -8.896 2.350 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.137 -10.753 1.168 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.754 -10.950 2.867 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.206 -8.127 2.069 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.604 -9.157 1.835 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.899 -8.440 3.527 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.468 -8.653 5.227 1.00 10.00 H new ATOM 192 N LYS A 14 -3.911 -11.809 1.370 1.00 10.00 N ATOM 193 CA LYS A 14 -2.893 -12.765 1.788 1.00 10.00 C ATOM 194 C LYS A 14 -1.534 -12.094 2.073 1.00 10.00 C ATOM 195 O LYS A 14 -0.636 -12.748 2.605 1.00 10.00 O ATOM 196 CB LYS A 14 -2.775 -13.916 0.779 1.00 10.00 C ATOM 197 CG LYS A 14 -4.054 -14.763 0.703 1.00 10.00 C ATOM 198 CD LYS A 14 -3.696 -16.194 0.281 1.00 10.00 C ATOM 199 CE LYS A 14 -4.960 -17.049 0.121 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.636 -18.451 -0.212 1.00 10.00 N ATOM 0 H LYS A 14 -4.255 -11.926 0.417 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.218 -13.191 2.737 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.553 -13.509 -0.208 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.936 -14.554 1.057 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.555 -14.773 1.671 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.751 -14.325 -0.012 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.145 -16.173 -0.659 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.039 -16.644 1.026 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.538 -17.019 1.045 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.589 -16.625 -0.662 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.516 -18.996 -0.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.106 -18.482 -1.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.057 -18.863 0.547 1.00 10.00 H new ATOM 214 N HIS A 15 -1.352 -10.814 1.717 1.00 10.00 N ATOM 215 CA HIS A 15 -0.101 -10.082 1.869 1.00 10.00 C ATOM 216 C HIS A 15 -0.272 -8.959 2.910 1.00 10.00 C ATOM 217 O HIS A 15 -0.204 -7.776 2.564 1.00 10.00 O ATOM 218 CB HIS A 15 0.329 -9.541 0.492 1.00 10.00 C ATOM 219 CG HIS A 15 0.745 -10.579 -0.534 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.882 -10.544 -1.316 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.016 -11.664 -0.946 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.845 -11.600 -2.146 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.734 -12.323 -1.947 1.00 10.00 N ATOM 0 H HIS A 15 -2.096 -10.250 1.305 1.00 10.00 H new ATOM 0 HA HIS A 15 0.686 -10.741 2.237 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.496 -8.962 0.078 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.160 -8.852 0.639 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.949 -11.959 -0.562 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.607 -11.834 -2.875 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.467 -13.181 -2.429 1.00 10.00 H new ATOM 231 N ASN A 16 -0.464 -9.334 4.185 1.00 10.00 N ATOM 232 CA ASN A 16 -0.693 -8.400 5.296 1.00 10.00 C ATOM 233 C ASN A 16 -0.279 -8.940 6.669 1.00 10.00 C ATOM 234 O ASN A 16 -1.090 -9.055 7.582 1.00 10.00 O ATOM 235 CB ASN A 16 -2.147 -7.913 5.317 1.00 10.00 C ATOM 236 CG ASN A 16 -3.208 -8.992 5.532 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.901 -10.149 5.808 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.473 -8.601 5.379 1.00 10.00 N ATOM 0 H ASN A 16 -0.464 -10.312 4.476 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.034 -7.554 5.102 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.249 -7.168 6.106 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.355 -7.409 4.373 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.232 -9.273 5.491 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.682 -7.629 5.150 1.00 10.00 H new ATOM 245 N ASN A 17 1.014 -9.206 6.852 1.00 10.00 N ATOM 246 CA ASN A 17 1.553 -9.575 8.166 1.00 10.00 C ATOM 247 C ASN A 17 2.994 -9.085 8.282 1.00 10.00 C ATOM 248 O ASN A 17 3.372 -8.355 9.202 1.00 10.00 O ATOM 249 CB ASN A 17 1.485 -11.108 8.361 1.00 10.00 C ATOM 250 CG ASN A 17 0.396 -11.595 9.319 1.00 10.00 C ATOM 251 OD1 ASN A 17 -0.149 -10.846 10.122 1.00 10.00 O ATOM 252 ND2 ASN A 17 0.101 -12.894 9.283 1.00 10.00 N ATOM 0 H ASN A 17 1.711 -9.173 6.108 1.00 10.00 H new ATOM 0 HA ASN A 17 0.954 -9.104 8.946 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.327 -11.575 7.389 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.451 -11.455 8.728 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.587 -13.279 9.930 1.00 10.00 H new ATOM 0 HD22 ASN A 17 0.564 -13.504 8.609 1.00 10.00 H new ATOM 259 N SER A 18 3.819 -9.521 7.335 1.00 10.00 N ATOM 260 CA SER A 18 5.262 -9.359 7.384 1.00 10.00 C ATOM 261 C SER A 18 5.839 -9.819 6.052 1.00 10.00 C ATOM 262 O SER A 18 6.556 -9.076 5.392 1.00 10.00 O ATOM 263 CB SER A 18 5.827 -10.190 8.543 1.00 10.00 C ATOM 264 OG SER A 18 5.248 -11.486 8.533 1.00 10.00 O ATOM 0 H SER A 18 3.494 -10.005 6.498 1.00 10.00 H new ATOM 0 HA SER A 18 5.531 -8.316 7.551 1.00 10.00 H new ATOM 0 HB2 SER A 18 6.911 -10.265 8.454 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.619 -9.696 9.492 1.00 10.00 H new ATOM 0 HG SER A 18 5.613 -12.013 9.274 1.00 10.00 H new ATOM 270 N LYS A 19 5.489 -11.050 5.665 1.00 10.00 N ATOM 271 CA LYS A 19 5.936 -11.680 4.427 1.00 10.00 C ATOM 272 C LYS A 19 5.745 -10.743 3.233 1.00 10.00 C ATOM 273 O LYS A 19 6.614 -10.617 2.369 1.00 10.00 O ATOM 274 CB LYS A 19 5.190 -13.013 4.237 1.00 10.00 C ATOM 275 CG LYS A 19 5.904 -13.944 3.244 1.00 10.00 C ATOM 276 CD LYS A 19 5.508 -13.720 1.772 1.00 10.00 C ATOM 277 CE LYS A 19 4.834 -14.962 1.168 1.00 10.00 C ATOM 278 NZ LYS A 19 3.502 -15.219 1.755 1.00 10.00 N ATOM 0 H LYS A 19 4.873 -11.646 6.219 1.00 10.00 H new ATOM 0 HA LYS A 19 7.004 -11.888 4.492 1.00 10.00 H new ATOM 0 HB2 LYS A 19 5.097 -13.515 5.200 1.00 10.00 H new ATOM 0 HB3 LYS A 19 4.179 -12.814 3.882 1.00 10.00 H new ATOM 0 HG2 LYS A 19 6.981 -13.806 3.344 1.00 10.00 H new ATOM 0 HG3 LYS A 19 5.688 -14.978 3.513 1.00 10.00 H new ATOM 0 HD2 LYS A 19 4.831 -12.869 1.703 1.00 10.00 H new ATOM 0 HD3 LYS A 19 6.395 -13.469 1.191 1.00 10.00 H new ATOM 0 HE2 LYS A 19 4.735 -14.831 0.091 1.00 10.00 H new ATOM 0 HE3 LYS A 19 5.472 -15.832 1.326 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 3.087 -16.066 1.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 3.598 -15.371 2.779 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 2.883 -14.401 1.583 1.00 10.00 H new ATOM 292 N SER A 20 4.588 -10.090 3.170 1.00 10.00 N ATOM 293 CA SER A 20 4.332 -9.014 2.251 1.00 10.00 C ATOM 294 C SER A 20 3.387 -8.026 2.923 1.00 10.00 C ATOM 295 O SER A 20 2.568 -8.433 3.748 1.00 10.00 O ATOM 296 CB SER A 20 3.785 -9.583 0.951 1.00 10.00 C ATOM 297 OG SER A 20 4.759 -10.376 0.298 1.00 10.00 O ATOM 0 H SER A 20 3.795 -10.307 3.773 1.00 10.00 H new ATOM 0 HA SER A 20 5.244 -8.475 1.995 1.00 10.00 H new ATOM 0 HB2 SER A 20 2.899 -10.184 1.157 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.473 -8.770 0.296 1.00 10.00 H new ATOM 0 HG SER A 20 5.562 -10.433 0.857 1.00 10.00 H new ATOM 303 N THR A 21 3.545 -6.744 2.588 1.00 10.00 N ATOM 304 CA THR A 21 2.619 -5.666 2.893 1.00 10.00 C ATOM 305 C THR A 21 2.171 -5.087 1.558 1.00 10.00 C ATOM 306 O THR A 21 2.832 -4.208 1.000 1.00 10.00 O ATOM 307 CB THR A 21 3.306 -4.622 3.780 1.00 10.00 C ATOM 308 OG1 THR A 21 3.479 -5.187 5.065 1.00 10.00 O ATOM 309 CG2 THR A 21 2.522 -3.305 3.884 1.00 10.00 C ATOM 0 H THR A 21 4.363 -6.420 2.072 1.00 10.00 H new ATOM 0 HA THR A 21 1.751 -6.017 3.450 1.00 10.00 H new ATOM 0 HB THR A 21 4.263 -4.366 3.325 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.295 -4.509 5.748 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.063 -2.609 4.526 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.409 -2.869 2.891 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.537 -3.500 4.309 1.00 10.00 H new ATOM 317 N TRP A 22 1.072 -5.630 1.033 1.00 10.00 N ATOM 318 CA TRP A 22 0.358 -5.051 -0.089 1.00 10.00 C ATOM 319 C TRP A 22 -0.859 -4.327 0.472 1.00 10.00 C ATOM 320 O TRP A 22 -1.072 -4.356 1.679 1.00 10.00 O ATOM 321 CB TRP A 22 -0.063 -6.163 -1.042 1.00 10.00 C ATOM 322 CG TRP A 22 1.018 -6.885 -1.786 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.353 -6.807 -1.581 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.851 -7.752 -2.942 1.00 10.00 C ATOM 325 NE1 TRP A 22 3.018 -7.561 -2.526 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.138 -8.143 -3.412 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.268 -8.220 -3.657 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.305 -8.940 -4.553 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.117 -9.050 -4.780 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.167 -9.389 -5.245 1.00 10.00 C ATOM 0 H TRP A 22 0.654 -6.492 1.383 1.00 10.00 H new ATOM 0 HA TRP A 22 0.983 -4.350 -0.643 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.627 -6.900 -0.470 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.748 -5.736 -1.775 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.828 -6.239 -0.795 1.00 10.00 H new ATOM 0 HE1 TRP A 22 4.031 -7.673 -2.564 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.259 -7.936 -3.336 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.294 -9.205 -4.896 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -0.991 -9.430 -5.289 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.278 -9.994 -6.133 1.00 10.00 H new ATOM 341 N LEU A 23 -1.651 -3.664 -0.372 1.00 10.00 N ATOM 342 CA LEU A 23 -2.807 -2.868 0.024 1.00 10.00 C ATOM 343 C LEU A 23 -3.437 -2.294 -1.241 1.00 10.00 C ATOM 344 O LEU A 23 -2.835 -2.414 -2.309 1.00 10.00 O ATOM 345 CB LEU A 23 -2.435 -1.774 1.041 1.00 10.00 C ATOM 346 CG LEU A 23 -1.071 -1.106 0.803 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.123 -0.093 -0.332 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.645 -0.372 2.068 1.00 10.00 C ATOM 0 H LEU A 23 -1.498 -3.668 -1.381 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.532 -3.499 0.538 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.208 -1.005 1.025 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.440 -2.210 2.040 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.363 -1.892 0.539 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.138 0.355 -0.466 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.422 -0.593 -1.253 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.846 0.686 -0.091 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.322 0.104 1.905 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.386 0.388 2.315 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.566 -1.082 2.891 1.00 10.00 H new ATOM 360 N ILE A 24 -4.628 -1.696 -1.127 1.00 10.00 N ATOM 361 CA ILE A 24 -5.342 -1.095 -2.250 1.00 10.00 C ATOM 362 C ILE A 24 -5.471 0.405 -2.003 1.00 10.00 C ATOM 363 O ILE A 24 -6.004 0.809 -0.967 1.00 10.00 O ATOM 364 CB ILE A 24 -6.715 -1.760 -2.437 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.533 -3.213 -2.896 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.555 -1.008 -3.483 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.700 -4.071 -2.392 1.00 10.00 C ATOM 0 H ILE A 24 -5.126 -1.617 -0.240 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.784 -1.253 -3.173 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.235 -1.732 -1.479 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.482 -3.256 -3.984 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.590 -3.608 -2.517 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.521 -1.500 -3.596 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.707 0.021 -3.156 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.033 -1.011 -4.440 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.563 -5.101 -2.722 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.731 -4.040 -1.303 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.636 -3.683 -2.793 1.00 10.00 H new ATOM 379 N LEU A 25 -4.945 1.201 -2.944 1.00 10.00 N ATOM 380 CA LEU A 25 -5.019 2.656 -2.983 1.00 10.00 C ATOM 381 C LEU A 25 -5.626 3.036 -4.329 1.00 10.00 C ATOM 382 O LEU A 25 -4.944 2.994 -5.348 1.00 10.00 O ATOM 383 CB LEU A 25 -3.613 3.268 -2.867 1.00 10.00 C ATOM 384 CG LEU A 25 -3.018 3.538 -1.487 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.632 2.644 -0.437 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.490 3.409 -1.520 1.00 10.00 C ATOM 0 H LEU A 25 -4.430 0.820 -3.738 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.621 3.029 -2.154 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.925 2.607 -3.395 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.624 4.214 -3.408 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.258 4.565 -1.211 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.186 2.863 0.533 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.706 2.822 -0.391 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.448 1.601 -0.694 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.087 3.605 -0.527 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.217 2.400 -1.830 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.079 4.130 -2.227 1.00 10.00 H new ATOM 398 N HIS A 26 -6.905 3.407 -4.347 1.00 10.00 N ATOM 399 CA HIS A 26 -7.604 3.857 -5.546 1.00 10.00 C ATOM 400 C HIS A 26 -7.636 2.738 -6.592 1.00 10.00 C ATOM 401 O HIS A 26 -7.239 2.926 -7.744 1.00 10.00 O ATOM 402 CB HIS A 26 -7.017 5.161 -6.114 1.00 10.00 C ATOM 403 CG HIS A 26 -6.750 6.230 -5.087 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.631 7.182 -4.623 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.558 6.425 -4.447 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.974 7.929 -3.716 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.706 7.506 -3.576 1.00 10.00 N ATOM 0 H HIS A 26 -7.493 3.403 -3.514 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.631 4.091 -5.265 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.085 4.930 -6.629 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.704 5.558 -6.861 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -8.602 7.299 -4.913 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.659 5.844 -4.590 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.407 8.757 -3.174 1.00 10.00 H new ATOM 415 N TYR A 27 -8.126 1.564 -6.177 1.00 10.00 N ATOM 416 CA TYR A 27 -8.315 0.399 -7.036 1.00 10.00 C ATOM 417 C TYR A 27 -6.987 -0.089 -7.641 1.00 10.00 C ATOM 418 O TYR A 27 -6.987 -0.776 -8.664 1.00 10.00 O ATOM 419 CB TYR A 27 -9.380 0.701 -8.109 1.00 10.00 C ATOM 420 CG TYR A 27 -10.701 1.225 -7.564 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.890 2.601 -7.329 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.738 0.328 -7.259 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.067 3.055 -6.709 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.920 0.780 -6.651 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.072 2.142 -6.349 1.00 10.00 C ATOM 426 OH TYR A 27 -14.201 2.585 -5.728 1.00 10.00 O ATOM 0 H TYR A 27 -8.407 1.398 -5.211 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.683 -0.426 -6.426 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.975 1.433 -8.808 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.572 -0.209 -8.677 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.129 3.308 -7.626 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.625 -0.720 -7.495 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.199 4.108 -6.509 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.710 0.082 -6.416 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.795 1.826 -5.549 1.00 10.00 H new ATOM 436 N LYS A 28 -5.856 0.258 -7.013 1.00 10.00 N ATOM 437 CA LYS A 28 -4.514 -0.057 -7.478 1.00 10.00 C ATOM 438 C LYS A 28 -3.715 -0.678 -6.343 1.00 10.00 C ATOM 439 O LYS A 28 -3.805 -0.208 -5.206 1.00 10.00 O ATOM 440 CB LYS A 28 -3.839 1.205 -8.028 1.00 10.00 C ATOM 441 CG LYS A 28 -4.314 1.426 -9.460 1.00 10.00 C ATOM 442 CD LYS A 28 -3.998 2.832 -9.976 1.00 10.00 C ATOM 443 CE LYS A 28 -4.479 2.943 -11.429 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.952 2.890 -11.533 1.00 10.00 N ATOM 0 H LYS A 28 -5.859 0.783 -6.139 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.564 -0.782 -8.290 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.088 2.067 -7.410 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.755 1.096 -8.002 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.844 0.690 -10.112 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.390 1.257 -9.512 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.491 3.581 -9.357 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.927 3.024 -9.917 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.119 3.878 -11.859 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.045 2.134 -12.017 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.298 3.753 -11.999 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.231 2.059 -12.092 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.365 2.821 -10.581 1.00 10.00 H new ATOM 458 N VAL A 29 -2.972 -1.745 -6.661 1.00 10.00 N ATOM 459 CA VAL A 29 -2.174 -2.487 -5.703 1.00 10.00 C ATOM 460 C VAL A 29 -0.721 -2.016 -5.756 1.00 10.00 C ATOM 461 O VAL A 29 -0.154 -1.814 -6.835 1.00 10.00 O ATOM 462 CB VAL A 29 -2.288 -3.995 -5.962 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.773 -4.796 -4.759 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.744 -4.390 -6.198 1.00 10.00 C ATOM 0 H VAL A 29 -2.914 -2.116 -7.610 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.553 -2.297 -4.699 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.688 -4.218 -6.844 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.864 -5.862 -4.966 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.727 -4.549 -4.579 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.362 -4.546 -3.877 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.805 -5.463 -6.380 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.337 -4.137 -5.319 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.131 -3.853 -7.064 1.00 10.00 H new ATOM 474 N TYR A 30 -0.130 -1.857 -4.572 1.00 10.00 N ATOM 475 CA TYR A 30 1.220 -1.367 -4.363 1.00 10.00 C ATOM 476 C TYR A 30 1.911 -2.327 -3.405 1.00 10.00 C ATOM 477 O TYR A 30 1.381 -2.560 -2.319 1.00 10.00 O ATOM 478 CB TYR A 30 1.125 0.031 -3.746 1.00 10.00 C ATOM 479 CG TYR A 30 0.463 1.037 -4.664 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.205 1.655 -5.684 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.931 1.206 -4.625 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.565 2.505 -6.605 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.563 2.051 -5.551 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.812 2.734 -6.513 1.00 10.00 C ATOM 485 OH TYR A 30 -1.424 3.601 -7.370 1.00 10.00 O ATOM 0 H TYR A 30 -0.606 -2.078 -3.697 1.00 10.00 H new ATOM 0 HA TYR A 30 1.784 -1.309 -5.294 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.564 -0.026 -2.813 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.126 0.380 -3.494 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.268 1.478 -5.762 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.517 0.685 -3.882 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.139 2.982 -7.386 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.635 2.174 -5.520 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.382 3.640 -7.167 1.00 10.00 H new ATOM 495 N ASP A 31 3.063 -2.883 -3.793 1.00 10.00 N ATOM 496 CA ASP A 31 3.873 -3.685 -2.882 1.00 10.00 C ATOM 497 C ASP A 31 4.918 -2.782 -2.256 1.00 10.00 C ATOM 498 O ASP A 31 5.774 -2.267 -2.972 1.00 10.00 O ATOM 499 CB ASP A 31 4.589 -4.833 -3.598 1.00 10.00 C ATOM 500 CG ASP A 31 5.396 -5.678 -2.614 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.343 -5.392 -1.395 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.979 -6.678 -3.075 1.00 10.00 O ATOM 0 H ASP A 31 3.452 -2.790 -4.731 1.00 10.00 H new ATOM 0 HA ASP A 31 3.210 -4.120 -2.134 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.857 -5.461 -4.106 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.251 -4.431 -4.365 1.00 10.00 H new ATOM 507 N LEU A 32 4.860 -2.589 -0.938 1.00 10.00 N ATOM 508 CA LEU A 32 5.873 -1.854 -0.209 1.00 10.00 C ATOM 509 C LEU A 32 6.503 -2.739 0.870 1.00 10.00 C ATOM 510 O LEU A 32 7.054 -2.221 1.841 1.00 10.00 O ATOM 511 CB LEU A 32 5.267 -0.574 0.373 1.00 10.00 C ATOM 512 CG LEU A 32 4.277 0.142 -0.572 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.851 -0.159 -0.096 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.644 1.623 -0.665 1.00 10.00 C ATOM 0 H LEU A 32 4.104 -2.942 -0.352 1.00 10.00 H new ATOM 0 HA LEU A 32 6.673 -1.562 -0.889 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.753 -0.818 1.303 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.073 0.114 0.626 1.00 10.00 H new ATOM 0 HG LEU A 32 4.335 -0.225 -1.597 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.136 0.338 -0.751 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.679 -1.235 -0.121 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.723 0.205 0.923 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.946 2.130 -1.332 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.591 2.074 0.326 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.657 1.723 -1.056 1.00 10.00 H new ATOM 526 N THR A 33 6.446 -4.067 0.707 1.00 10.00 N ATOM 527 CA THR A 33 6.987 -5.016 1.675 1.00 10.00 C ATOM 528 C THR A 33 8.419 -4.661 2.052 1.00 10.00 C ATOM 529 O THR A 33 8.765 -4.550 3.226 1.00 10.00 O ATOM 530 CB THR A 33 6.891 -6.461 1.162 1.00 10.00 C ATOM 531 OG1 THR A 33 7.224 -7.320 2.234 1.00 10.00 O ATOM 532 CG2 THR A 33 7.773 -6.823 -0.028 1.00 10.00 C ATOM 0 H THR A 33 6.020 -4.511 -0.107 1.00 10.00 H new ATOM 0 HA THR A 33 6.377 -4.947 2.576 1.00 10.00 H new ATOM 0 HB THR A 33 5.869 -6.572 0.798 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.481 -8.198 1.882 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.614 -7.868 -0.294 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.517 -6.189 -0.877 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.820 -6.671 0.235 1.00 10.00 H new ATOM 540 N LYS A 34 9.253 -4.419 1.042 1.00 10.00 N ATOM 541 CA LYS A 34 10.656 -4.127 1.258 1.00 10.00 C ATOM 542 C LYS A 34 10.866 -2.620 1.426 1.00 10.00 C ATOM 543 O LYS A 34 11.934 -2.111 1.103 1.00 10.00 O ATOM 544 CB LYS A 34 11.480 -4.729 0.111 1.00 10.00 C ATOM 545 CG LYS A 34 12.834 -5.190 0.654 1.00 10.00 C ATOM 546 CD LYS A 34 13.776 -5.574 -0.488 1.00 10.00 C ATOM 547 CE LYS A 34 15.034 -6.242 0.089 1.00 10.00 C ATOM 548 NZ LYS A 34 16.247 -5.898 -0.680 1.00 10.00 N ATOM 0 H LYS A 34 8.972 -4.421 0.062 1.00 10.00 H new ATOM 0 HA LYS A 34 11.002 -4.587 2.184 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.947 -5.570 -0.333 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.623 -3.990 -0.677 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.282 -4.394 1.249 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.693 -6.043 1.318 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.273 -6.254 -1.176 1.00 10.00 H new ATOM 0 HD3 LYS A 34 14.051 -4.688 -1.060 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.164 -5.935 1.127 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.901 -7.324 0.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 17.072 -6.369 -0.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 16.135 -6.214 -1.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 16.390 -4.868 -0.661 1.00 10.00 H new ATOM 562 N PHE A 35 9.841 -1.912 1.911 1.00 10.00 N ATOM 563 CA PHE A 35 9.849 -0.472 2.088 1.00 10.00 C ATOM 564 C PHE A 35 9.177 -0.095 3.407 1.00 10.00 C ATOM 565 O PHE A 35 8.824 1.061 3.604 1.00 10.00 O ATOM 566 CB PHE A 35 9.102 0.160 0.913 1.00 10.00 C ATOM 567 CG PHE A 35 9.573 1.539 0.496 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.916 1.747 0.127 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.659 2.610 0.437 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.352 3.029 -0.248 1.00 10.00 C ATOM 571 CE2 PHE A 35 9.083 3.876 -0.001 1.00 10.00 C ATOM 572 CZ PHE A 35 10.432 4.089 -0.333 1.00 10.00 C ATOM 0 H PHE A 35 8.963 -2.345 2.197 1.00 10.00 H new ATOM 0 HA PHE A 35 10.876 -0.107 2.118 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.184 -0.506 0.054 1.00 10.00 H new ATOM 0 HB3 PHE A 35 8.044 0.220 1.170 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.611 0.921 0.132 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.630 2.457 0.729 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.395 3.200 -0.471 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.372 4.685 -0.083 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.762 5.066 -0.653 1.00 10.00 H new ATOM 582 N LEU A 36 8.966 -1.052 4.313 1.00 10.00 N ATOM 583 CA LEU A 36 8.281 -0.794 5.566 1.00 10.00 C ATOM 584 C LEU A 36 9.091 0.166 6.430 1.00 10.00 C ATOM 585 O LEU A 36 8.613 1.244 6.771 1.00 10.00 O ATOM 586 CB LEU A 36 8.017 -2.133 6.265 1.00 10.00 C ATOM 587 CG LEU A 36 7.014 -2.987 5.482 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.057 -4.434 5.978 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.597 -2.431 5.624 1.00 10.00 C ATOM 0 H LEU A 36 9.266 -2.020 4.193 1.00 10.00 H new ATOM 0 HA LEU A 36 7.323 -0.308 5.383 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.954 -2.679 6.374 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.635 -1.951 7.270 1.00 10.00 H new ATOM 0 HG LEU A 36 7.291 -2.959 4.428 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.341 -5.033 5.415 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.059 -4.838 5.835 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.802 -4.463 7.037 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.903 -3.054 5.059 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.310 -2.430 6.676 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.566 -1.412 5.238 1.00 10.00 H new ATOM 601 N GLU A 37 10.326 -0.219 6.758 1.00 10.00 N ATOM 602 CA GLU A 37 11.235 0.633 7.517 1.00 10.00 C ATOM 603 C GLU A 37 11.515 1.928 6.744 1.00 10.00 C ATOM 604 O GLU A 37 11.660 2.995 7.335 1.00 10.00 O ATOM 605 CB GLU A 37 12.545 -0.114 7.844 1.00 10.00 C ATOM 606 CG GLU A 37 12.773 -0.253 9.357 1.00 10.00 C ATOM 607 CD GLU A 37 14.254 -0.416 9.676 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.716 -1.576 9.665 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.899 0.631 9.897 1.00 10.00 O ATOM 0 H GLU A 37 10.720 -1.125 6.505 1.00 10.00 H new ATOM 0 HA GLU A 37 10.760 0.894 8.463 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.519 -1.105 7.390 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.386 0.419 7.399 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.382 0.626 9.869 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.220 -1.113 9.734 1.00 10.00 H new ATOM 616 N GLU A 38 11.602 1.824 5.415 1.00 10.00 N ATOM 617 CA GLU A 38 11.922 2.939 4.546 1.00 10.00 C ATOM 618 C GLU A 38 10.810 3.989 4.562 1.00 10.00 C ATOM 619 O GLU A 38 11.094 5.181 4.638 1.00 10.00 O ATOM 620 CB GLU A 38 12.154 2.419 3.127 1.00 10.00 C ATOM 621 CG GLU A 38 13.377 1.488 3.033 1.00 10.00 C ATOM 622 CD GLU A 38 14.237 1.784 1.805 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.547 2.977 1.597 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.570 0.813 1.093 1.00 10.00 O ATOM 0 H GLU A 38 11.449 0.948 4.915 1.00 10.00 H new ATOM 0 HA GLU A 38 12.830 3.421 4.909 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.267 1.883 2.790 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.292 3.264 2.452 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.983 1.595 3.933 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.040 0.452 2.997 1.00 10.00 H new ATOM 631 N HIS A 39 9.551 3.554 4.454 1.00 10.00 N ATOM 632 CA HIS A 39 8.400 4.446 4.362 1.00 10.00 C ATOM 633 C HIS A 39 8.354 5.336 5.606 1.00 10.00 C ATOM 634 O HIS A 39 8.092 4.829 6.700 1.00 10.00 O ATOM 635 CB HIS A 39 7.102 3.640 4.218 1.00 10.00 C ATOM 636 CG HIS A 39 5.832 4.465 4.318 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.952 4.433 5.376 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.317 5.331 3.383 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.934 5.254 5.077 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.103 5.838 3.876 1.00 10.00 N ATOM 0 H HIS A 39 9.304 2.565 4.428 1.00 10.00 H new ATOM 0 HA HIS A 39 8.498 5.074 3.477 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.112 3.128 3.256 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.081 2.869 4.989 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.055 3.886 6.230 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.768 5.579 2.433 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.084 5.425 5.721 1.00 10.00 H new ATOM 648 N PRO A 40 8.580 6.654 5.474 1.00 10.00 N ATOM 649 CA PRO A 40 8.656 7.545 6.615 1.00 10.00 C ATOM 650 C PRO A 40 7.240 7.849 7.106 1.00 10.00 C ATOM 651 O PRO A 40 6.714 8.943 6.908 1.00 10.00 O ATOM 652 CB PRO A 40 9.415 8.773 6.108 1.00 10.00 C ATOM 653 CG PRO A 40 9.039 8.839 4.628 1.00 10.00 C ATOM 654 CD PRO A 40 8.826 7.377 4.234 1.00 10.00 C ATOM 0 HA PRO A 40 9.177 7.127 7.476 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.116 9.677 6.639 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.491 8.664 6.244 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.137 9.430 4.472 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.829 9.301 4.036 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.982 7.277 3.551 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.702 6.981 3.719 1.00 10.00 H new ATOM 662 N GLY A 41 6.618 6.856 7.742 1.00 10.00 N ATOM 663 CA GLY A 41 5.270 6.964 8.253 1.00 10.00 C ATOM 664 C GLY A 41 4.836 5.655 8.889 1.00 10.00 C ATOM 665 O GLY A 41 3.850 5.063 8.457 1.00 10.00 O ATOM 0 H GLY A 41 7.049 5.948 7.914 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.217 7.767 8.988 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.588 7.226 7.444 1.00 10.00 H new ATOM 669 N GLY A 42 5.584 5.225 9.912 1.00 10.00 N ATOM 670 CA GLY A 42 5.266 4.079 10.750 1.00 10.00 C ATOM 671 C GLY A 42 5.153 2.776 9.959 1.00 10.00 C ATOM 672 O GLY A 42 4.095 2.472 9.408 1.00 10.00 O ATOM 0 H GLY A 42 6.454 5.685 10.182 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.036 3.969 11.513 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.326 4.265 11.270 1.00 10.00 H new ATOM 676 N GLU A 43 6.206 1.950 9.965 1.00 10.00 N ATOM 677 CA GLU A 43 6.146 0.635 9.336 1.00 10.00 C ATOM 678 C GLU A 43 4.875 -0.118 9.758 1.00 10.00 C ATOM 679 O GLU A 43 4.160 -0.685 8.932 1.00 10.00 O ATOM 680 CB GLU A 43 7.422 -0.180 9.611 1.00 10.00 C ATOM 681 CG GLU A 43 7.818 -0.425 11.081 1.00 10.00 C ATOM 682 CD GLU A 43 8.417 -1.814 11.337 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.997 -2.786 10.664 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.252 -1.903 12.256 1.00 10.00 O ATOM 0 H GLU A 43 7.103 2.172 10.397 1.00 10.00 H new ATOM 0 HA GLU A 43 6.093 0.779 8.257 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.309 -1.151 9.129 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.254 0.325 9.120 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.540 0.333 11.384 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.938 -0.297 11.711 1.00 10.00 H new ATOM 691 N ALA A 44 4.563 -0.049 11.054 1.00 10.00 N ATOM 692 CA ALA A 44 3.387 -0.647 11.657 1.00 10.00 C ATOM 693 C ALA A 44 2.093 -0.108 11.044 1.00 10.00 C ATOM 694 O ALA A 44 1.161 -0.876 10.842 1.00 10.00 O ATOM 695 CB ALA A 44 3.417 -0.411 13.168 1.00 10.00 C ATOM 0 H ALA A 44 5.148 0.444 11.729 1.00 10.00 H new ATOM 0 HA ALA A 44 3.405 -1.718 11.457 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.534 -0.859 13.624 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.314 -0.865 13.590 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.425 0.660 13.369 1.00 10.00 H new ATOM 701 N VAL A 45 2.017 1.191 10.737 1.00 10.00 N ATOM 702 CA VAL A 45 0.842 1.784 10.106 1.00 10.00 C ATOM 703 C VAL A 45 0.651 1.159 8.724 1.00 10.00 C ATOM 704 O VAL A 45 -0.439 0.675 8.406 1.00 10.00 O ATOM 705 CB VAL A 45 0.979 3.321 10.071 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.077 3.981 9.023 1.00 10.00 C ATOM 707 CG2 VAL A 45 0.703 3.919 11.460 1.00 10.00 C ATOM 0 H VAL A 45 2.768 1.856 10.920 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.057 1.573 10.684 1.00 10.00 H new ATOM 0 HB VAL A 45 2.008 3.532 9.780 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.220 5.061 9.048 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.334 3.604 8.033 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.965 3.748 9.241 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.804 5.003 11.416 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.309 3.661 11.772 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.418 3.517 12.178 1.00 10.00 H new ATOM 717 N LEU A 46 1.716 1.128 7.916 1.00 10.00 N ATOM 718 CA LEU A 46 1.649 0.454 6.624 1.00 10.00 C ATOM 719 C LEU A 46 1.218 -1.006 6.803 1.00 10.00 C ATOM 720 O LEU A 46 0.406 -1.509 6.032 1.00 10.00 O ATOM 721 CB LEU A 46 2.978 0.558 5.850 1.00 10.00 C ATOM 722 CG LEU A 46 2.956 1.564 4.683 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.306 1.508 3.957 1.00 10.00 C ATOM 724 CD2 LEU A 46 1.882 1.245 3.637 1.00 10.00 C ATOM 0 H LEU A 46 2.617 1.554 8.132 1.00 10.00 H new ATOM 0 HA LEU A 46 0.895 0.962 6.023 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.768 0.843 6.545 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.236 -0.427 5.460 1.00 10.00 H new ATOM 0 HG LEU A 46 2.745 2.541 5.117 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.303 2.216 3.128 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.104 1.767 4.653 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.471 0.501 3.573 1.00 10.00 H new ATOM 0 HD21 LEU A 46 1.917 1.989 2.841 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.065 0.256 3.217 1.00 10.00 H new ATOM 0 HD23 LEU A 46 0.899 1.263 4.108 1.00 10.00 H new ATOM 736 N ARG A 47 1.741 -1.679 7.832 1.00 10.00 N ATOM 737 CA ARG A 47 1.449 -3.082 8.098 1.00 10.00 C ATOM 738 C ARG A 47 -0.030 -3.256 8.446 1.00 10.00 C ATOM 739 O ARG A 47 -0.687 -4.184 7.993 1.00 10.00 O ATOM 740 CB ARG A 47 2.313 -3.584 9.264 1.00 10.00 C ATOM 741 CG ARG A 47 2.825 -5.020 9.061 1.00 10.00 C ATOM 742 CD ARG A 47 4.301 -5.057 8.630 1.00 10.00 C ATOM 743 NE ARG A 47 5.014 -6.139 9.334 1.00 10.00 N ATOM 744 CZ ARG A 47 6.195 -6.007 9.968 1.00 10.00 C ATOM 745 NH1 ARG A 47 6.937 -4.913 9.774 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.616 -6.974 10.791 1.00 10.00 N ATOM 0 H ARG A 47 2.382 -1.259 8.505 1.00 10.00 H new ATOM 0 HA ARG A 47 1.676 -3.662 7.204 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.165 -2.916 9.391 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.732 -3.539 10.185 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.705 -5.581 9.988 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.216 -5.518 8.306 1.00 10.00 H new ATOM 0 HD2 ARG A 47 4.368 -5.209 7.553 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.774 -4.099 8.847 1.00 10.00 H new ATOM 0 HE ARG A 47 4.578 -7.061 9.341 1.00 10.00 H new ATOM 0 HH11 ARG A 47 6.609 -4.179 9.146 1.00 10.00 H new ATOM 0 HH12 ARG A 47 7.832 -4.812 10.254 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.044 -7.806 10.936 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.510 -6.880 11.274 1.00 10.00 H new ATOM 760 N ALA A 48 -0.542 -2.365 9.291 1.00 10.00 N ATOM 761 CA ALA A 48 -1.891 -2.405 9.820 1.00 10.00 C ATOM 762 C ALA A 48 -2.907 -2.209 8.700 1.00 10.00 C ATOM 763 O ALA A 48 -3.893 -2.937 8.622 1.00 10.00 O ATOM 764 CB ALA A 48 -2.012 -1.317 10.884 1.00 10.00 C ATOM 0 H ALA A 48 -0.005 -1.569 9.635 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.098 -3.376 10.270 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.020 -1.325 11.300 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.290 -1.504 11.679 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.813 -0.344 10.434 1.00 10.00 H new ATOM 770 N GLN A 49 -2.665 -1.224 7.833 1.00 10.00 N ATOM 771 CA GLN A 49 -3.504 -0.999 6.665 1.00 10.00 C ATOM 772 C GLN A 49 -3.232 -2.014 5.547 1.00 10.00 C ATOM 773 O GLN A 49 -3.976 -2.068 4.568 1.00 10.00 O ATOM 774 CB GLN A 49 -3.293 0.439 6.179 1.00 10.00 C ATOM 775 CG GLN A 49 -4.321 1.416 6.778 1.00 10.00 C ATOM 776 CD GLN A 49 -5.760 1.125 6.336 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.011 0.237 5.531 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.735 1.871 6.843 1.00 10.00 N ATOM 0 H GLN A 49 -1.889 -0.568 7.923 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.546 -1.142 6.950 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.287 0.766 6.444 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.361 0.466 5.091 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.266 1.370 7.866 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.057 2.433 6.488 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.517 2.609 7.513 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.702 1.706 6.562 1.00 10.00 H new ATOM 787 N ALA A 50 -2.160 -2.801 5.660 1.00 10.00 N ATOM 788 CA ALA A 50 -1.843 -3.818 4.671 1.00 10.00 C ATOM 789 C ALA A 50 -3.024 -4.766 4.441 1.00 10.00 C ATOM 790 O ALA A 50 -3.738 -5.127 5.374 1.00 10.00 O ATOM 791 CB ALA A 50 -0.620 -4.635 5.082 1.00 10.00 C ATOM 0 H ALA A 50 -1.497 -2.748 6.433 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.624 -3.290 3.743 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.411 -5.386 4.320 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.241 -3.974 5.186 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.815 -5.129 6.034 1.00 10.00 H new ATOM 797 N GLY A 51 -3.201 -5.206 3.195 1.00 10.00 N ATOM 798 CA GLY A 51 -4.263 -6.104 2.780 1.00 10.00 C ATOM 799 C GLY A 51 -5.612 -5.608 3.277 1.00 10.00 C ATOM 800 O GLY A 51 -6.400 -6.377 3.821 1.00 10.00 O ATOM 0 H GLY A 51 -2.586 -4.935 2.427 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.276 -6.181 1.693 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.072 -7.105 3.168 1.00 10.00 H new ATOM 804 N GLY A 52 -5.863 -4.316 3.081 1.00 10.00 N ATOM 805 CA GLY A 52 -7.101 -3.652 3.420 1.00 10.00 C ATOM 806 C GLY A 52 -7.255 -2.495 2.445 1.00 10.00 C ATOM 807 O GLY A 52 -6.283 -2.127 1.772 1.00 10.00 O ATOM 0 H GLY A 52 -5.177 -3.686 2.665 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.943 -4.339 3.342 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.078 -3.292 4.448 1.00 10.00 H new ATOM 811 N ASP A 53 -8.464 -1.933 2.342 1.00 10.00 N ATOM 812 CA ASP A 53 -8.619 -0.705 1.586 1.00 10.00 C ATOM 813 C ASP A 53 -8.003 0.411 2.409 1.00 10.00 C ATOM 814 O ASP A 53 -8.552 0.808 3.437 1.00 10.00 O ATOM 815 CB ASP A 53 -10.067 -0.359 1.242 1.00 10.00 C ATOM 816 CG ASP A 53 -10.037 0.926 0.414 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.384 0.903 -0.652 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.558 1.954 0.892 1.00 10.00 O ATOM 0 H ASP A 53 -9.318 -2.300 2.761 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.121 -0.837 0.625 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.534 -1.168 0.680 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.656 -0.219 2.149 1.00 10.00 H new ATOM 823 N ALA A 54 -6.849 0.895 1.962 1.00 10.00 N ATOM 824 CA ALA A 54 -6.156 1.971 2.635 1.00 10.00 C ATOM 825 C ALA A 54 -6.250 3.228 1.789 1.00 10.00 C ATOM 826 O ALA A 54 -5.507 4.171 2.035 1.00 10.00 O ATOM 827 CB ALA A 54 -4.710 1.559 2.886 1.00 10.00 C ATOM 0 H ALA A 54 -6.375 0.550 1.127 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.615 2.181 3.601 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.184 2.368 3.393 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.689 0.665 3.510 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.221 1.349 1.935 1.00 10.00 H new ATOM 833 N THR A 55 -7.146 3.257 0.799 1.00 10.00 N ATOM 834 CA THR A 55 -7.302 4.392 -0.085 1.00 10.00 C ATOM 835 C THR A 55 -7.594 5.644 0.744 1.00 10.00 C ATOM 836 O THR A 55 -6.863 6.632 0.673 1.00 10.00 O ATOM 837 CB THR A 55 -8.401 4.080 -1.113 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.105 2.895 -1.828 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.464 5.210 -2.136 1.00 10.00 C ATOM 0 H THR A 55 -7.782 2.486 0.596 1.00 10.00 H new ATOM 0 HA THR A 55 -6.385 4.586 -0.641 1.00 10.00 H new ATOM 0 HB THR A 55 -9.341 3.967 -0.573 1.00 10.00 H new ATOM 0 HG1 THR A 55 -8.818 2.239 -1.683 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.242 4.995 -2.868 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.692 6.147 -1.629 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.503 5.296 -2.643 1.00 10.00 H new ATOM 847 N ALA A 56 -8.639 5.570 1.571 1.00 10.00 N ATOM 848 CA ALA A 56 -9.056 6.679 2.415 1.00 10.00 C ATOM 849 C ALA A 56 -7.955 7.065 3.412 1.00 10.00 C ATOM 850 O ALA A 56 -7.760 8.235 3.706 1.00 10.00 O ATOM 851 CB ALA A 56 -10.367 6.319 3.118 1.00 10.00 C ATOM 0 H ALA A 56 -9.217 4.736 1.671 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.230 7.557 1.793 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.680 7.149 3.751 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.137 6.120 2.372 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.219 5.431 3.732 1.00 10.00 H new ATOM 857 N ASN A 57 -7.217 6.086 3.936 1.00 10.00 N ATOM 858 CA ASN A 57 -6.175 6.317 4.933 1.00 10.00 C ATOM 859 C ASN A 57 -4.974 7.024 4.297 1.00 10.00 C ATOM 860 O ASN A 57 -4.431 7.978 4.849 1.00 10.00 O ATOM 861 CB ASN A 57 -5.762 4.978 5.565 1.00 10.00 C ATOM 862 CG ASN A 57 -5.672 5.062 7.086 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.469 4.452 7.792 1.00 10.00 O ATOM 864 ND2 ASN A 57 -4.697 5.785 7.622 1.00 10.00 N ATOM 0 H ASN A 57 -7.327 5.105 3.678 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.563 6.966 5.718 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.483 4.209 5.287 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.797 4.670 5.162 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -4.601 5.840 8.636 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.043 6.286 7.020 1.00 10.00 H new ATOM 871 N PHE A 58 -4.556 6.524 3.132 1.00 10.00 N ATOM 872 CA PHE A 58 -3.514 7.095 2.293 1.00 10.00 C ATOM 873 C PHE A 58 -3.835 8.548 1.954 1.00 10.00 C ATOM 874 O PHE A 58 -3.014 9.438 2.195 1.00 10.00 O ATOM 875 CB PHE A 58 -3.397 6.262 1.010 1.00 10.00 C ATOM 876 CG PHE A 58 -2.472 6.831 -0.051 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.088 6.860 0.175 1.00 10.00 C ATOM 878 CD2 PHE A 58 -2.982 7.272 -1.287 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.209 7.290 -0.833 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.105 7.702 -2.299 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.717 7.712 -2.073 1.00 10.00 C ATOM 0 H PHE A 58 -4.955 5.673 2.735 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.566 7.077 2.830 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.048 5.264 1.275 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.391 6.148 0.578 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.695 6.549 1.132 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.048 7.280 -1.458 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.856 7.296 -0.655 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.498 8.025 -3.252 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.044 8.043 -2.850 1.00 10.00 H new ATOM 891 N GLU A 59 -5.014 8.785 1.370 1.00 10.00 N ATOM 892 CA GLU A 59 -5.381 10.123 0.945 1.00 10.00 C ATOM 893 C GLU A 59 -5.494 11.061 2.151 1.00 10.00 C ATOM 894 O GLU A 59 -5.055 12.204 2.056 1.00 10.00 O ATOM 895 CB GLU A 59 -6.589 10.094 0.001 1.00 10.00 C ATOM 896 CG GLU A 59 -7.917 9.738 0.669 1.00 10.00 C ATOM 897 CD GLU A 59 -8.667 10.963 1.175 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.031 11.788 0.310 1.00 10.00 O ATOM 899 OE2 GLU A 59 -8.861 11.052 2.404 1.00 10.00 O ATOM 0 H GLU A 59 -5.718 8.070 1.186 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.585 10.553 0.337 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -6.687 11.072 -0.471 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.394 9.374 -0.794 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.544 9.201 -0.042 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.730 9.061 1.503 1.00 10.00 H new ATOM 906 N ALA A 60 -5.973 10.557 3.298 1.00 10.00 N ATOM 907 CA ALA A 60 -6.048 11.315 4.548 1.00 10.00 C ATOM 908 C ALA A 60 -4.753 12.082 4.840 1.00 10.00 C ATOM 909 O ALA A 60 -4.785 13.252 5.213 1.00 10.00 O ATOM 910 CB ALA A 60 -6.378 10.400 5.740 1.00 10.00 C ATOM 0 H ALA A 60 -6.322 9.602 3.381 1.00 10.00 H new ATOM 0 HA ALA A 60 -6.853 12.038 4.417 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.426 10.994 6.652 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.340 9.915 5.571 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -5.602 9.641 5.842 1.00 10.00 H new ATOM 916 N VAL A 61 -3.607 11.407 4.695 1.00 10.00 N ATOM 917 CA VAL A 61 -2.295 12.009 4.922 1.00 10.00 C ATOM 918 C VAL A 61 -2.033 13.126 3.907 1.00 10.00 C ATOM 919 O VAL A 61 -1.429 14.142 4.242 1.00 10.00 O ATOM 920 CB VAL A 61 -1.211 10.921 4.843 1.00 10.00 C ATOM 921 CG1 VAL A 61 0.208 11.508 4.834 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.339 9.930 6.005 1.00 10.00 C ATOM 0 H VAL A 61 -3.567 10.427 4.416 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.270 12.455 5.916 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.370 10.400 3.899 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.936 10.699 4.777 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.325 12.163 3.971 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.371 12.079 5.748 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.560 9.172 5.924 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.231 10.462 6.950 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.317 9.451 5.968 1.00 10.00 H new ATOM 932 N GLY A 62 -2.448 12.918 2.655 1.00 10.00 N ATOM 933 CA GLY A 62 -2.292 13.871 1.570 1.00 10.00 C ATOM 934 C GLY A 62 -1.447 13.254 0.466 1.00 10.00 C ATOM 935 O GLY A 62 -1.947 13.040 -0.635 1.00 10.00 O ATOM 0 H GLY A 62 -2.913 12.057 2.367 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.269 14.155 1.179 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -1.819 14.782 1.938 1.00 10.00 H new ATOM 939 N HIS A 63 -0.175 12.971 0.778 1.00 10.00 N ATOM 940 CA HIS A 63 0.809 12.411 -0.144 1.00 10.00 C ATOM 941 C HIS A 63 0.916 13.279 -1.413 1.00 10.00 C ATOM 942 O HIS A 63 0.200 13.083 -2.395 1.00 10.00 O ATOM 943 CB HIS A 63 0.512 10.924 -0.407 1.00 10.00 C ATOM 944 CG HIS A 63 0.712 10.030 0.805 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.257 9.599 1.684 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.865 9.362 1.128 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.313 8.704 2.516 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.607 8.503 2.208 1.00 10.00 N ATOM 0 H HIS A 63 0.205 13.133 1.711 1.00 10.00 H new ATOM 0 HA HIS A 63 1.801 12.435 0.307 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.517 10.825 -0.753 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.155 10.573 -1.215 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.231 9.902 1.702 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.817 9.478 0.632 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.204 8.211 3.326 1.00 10.00 H new ATOM 956 N SER A 64 1.816 14.268 -1.371 1.00 10.00 N ATOM 957 CA SER A 64 2.048 15.255 -2.419 1.00 10.00 C ATOM 958 C SER A 64 2.393 14.602 -3.763 1.00 10.00 C ATOM 959 O SER A 64 2.649 13.404 -3.831 1.00 10.00 O ATOM 960 CB SER A 64 3.181 16.170 -1.939 1.00 10.00 C ATOM 961 OG SER A 64 4.262 15.351 -1.536 1.00 10.00 O ATOM 0 H SER A 64 2.428 14.404 -0.566 1.00 10.00 H new ATOM 0 HA SER A 64 1.137 15.828 -2.595 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.491 16.844 -2.737 1.00 10.00 H new ATOM 0 HB3 SER A 64 2.844 16.792 -1.110 1.00 10.00 H new ATOM 0 HG SER A 64 5.001 15.914 -1.226 1.00 10.00 H new ATOM 967 N THR A 65 2.401 15.400 -4.838 1.00 10.00 N ATOM 968 CA THR A 65 2.587 14.939 -6.213 1.00 10.00 C ATOM 969 C THR A 65 3.705 13.900 -6.309 1.00 10.00 C ATOM 970 O THR A 65 3.476 12.789 -6.773 1.00 10.00 O ATOM 971 CB THR A 65 2.862 16.130 -7.146 1.00 10.00 C ATOM 972 OG1 THR A 65 4.038 16.814 -6.755 1.00 10.00 O ATOM 973 CG2 THR A 65 1.702 17.130 -7.173 1.00 10.00 C ATOM 0 H THR A 65 2.275 16.410 -4.770 1.00 10.00 H new ATOM 0 HA THR A 65 1.664 14.455 -6.532 1.00 10.00 H new ATOM 0 HB THR A 65 2.984 15.712 -8.145 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.196 17.567 -7.362 1.00 10.00 H new ATOM 0 HG21 THR A 65 1.946 17.952 -7.846 1.00 10.00 H new ATOM 0 HG22 THR A 65 0.799 16.630 -7.523 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.535 17.521 -6.169 1.00 10.00 H new ATOM 981 N ASP A 66 4.887 14.259 -5.812 1.00 10.00 N ATOM 982 CA ASP A 66 6.058 13.399 -5.733 1.00 10.00 C ATOM 983 C ASP A 66 5.712 12.019 -5.170 1.00 10.00 C ATOM 984 O ASP A 66 6.047 11.001 -5.764 1.00 10.00 O ATOM 985 CB ASP A 66 7.126 14.086 -4.868 1.00 10.00 C ATOM 986 CG ASP A 66 8.505 13.951 -5.494 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.736 14.667 -6.491 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.295 13.144 -4.962 1.00 10.00 O ATOM 0 H ASP A 66 5.058 15.193 -5.440 1.00 10.00 H new ATOM 0 HA ASP A 66 6.444 13.242 -6.740 1.00 10.00 H new ATOM 0 HB2 ASP A 66 6.879 15.141 -4.749 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.131 13.645 -3.871 1.00 10.00 H new ATOM 993 N ALA A 67 5.001 11.975 -4.041 1.00 10.00 N ATOM 994 CA ALA A 67 4.608 10.719 -3.403 1.00 10.00 C ATOM 995 C ALA A 67 3.541 10.003 -4.263 1.00 10.00 C ATOM 996 O ALA A 67 3.565 8.781 -4.418 1.00 10.00 O ATOM 997 CB ALA A 67 4.050 11.015 -2.009 1.00 10.00 C ATOM 0 H ALA A 67 4.683 12.808 -3.545 1.00 10.00 H new ATOM 0 HA ALA A 67 5.477 10.067 -3.313 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.756 10.082 -1.529 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.815 11.507 -1.408 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.182 11.668 -2.096 1.00 10.00 H new ATOM 1003 N ARG A 68 2.590 10.771 -4.815 1.00 10.00 N ATOM 1004 CA ARG A 68 1.527 10.317 -5.716 1.00 10.00 C ATOM 1005 C ARG A 68 2.089 9.702 -7.004 1.00 10.00 C ATOM 1006 O ARG A 68 1.464 8.828 -7.601 1.00 10.00 O ATOM 1007 CB ARG A 68 0.583 11.503 -6.028 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.818 11.310 -5.427 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.505 12.618 -5.012 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.443 13.145 -6.021 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.313 14.141 -5.775 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.316 14.737 -4.576 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.176 14.540 -6.719 1.00 10.00 N ATOM 0 H ARG A 68 2.541 11.774 -4.635 1.00 10.00 H new ATOM 0 HA ARG A 68 0.964 9.528 -5.218 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.019 12.423 -5.639 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.499 11.622 -7.108 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -1.447 10.796 -6.155 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.742 10.659 -4.556 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -2.044 12.454 -4.079 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.742 13.370 -4.811 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.431 12.733 -6.954 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -2.661 14.435 -3.855 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -3.973 15.493 -4.384 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.177 14.088 -7.633 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.832 15.296 -6.523 1.00 10.00 H new ATOM 1027 N GLU A 69 3.251 10.177 -7.448 1.00 10.00 N ATOM 1028 CA GLU A 69 3.989 9.640 -8.575 1.00 10.00 C ATOM 1029 C GLU A 69 4.790 8.427 -8.106 1.00 10.00 C ATOM 1030 O GLU A 69 4.724 7.364 -8.718 1.00 10.00 O ATOM 1031 CB GLU A 69 4.861 10.753 -9.162 1.00 10.00 C ATOM 1032 CG GLU A 69 4.078 11.552 -10.213 1.00 10.00 C ATOM 1033 CD GLU A 69 4.092 10.855 -11.567 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.131 10.940 -12.250 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.058 10.233 -11.900 1.00 10.00 O ATOM 0 H GLU A 69 3.716 10.974 -7.013 1.00 10.00 H new ATOM 0 HA GLU A 69 3.326 9.297 -9.369 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.196 11.418 -8.366 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.754 10.323 -9.615 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.048 11.682 -9.880 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.510 12.548 -10.311 1.00 10.00 H new ATOM 1042 N LEU A 70 5.507 8.576 -6.990 1.00 10.00 N ATOM 1043 CA LEU A 70 6.281 7.528 -6.341 1.00 10.00 C ATOM 1044 C LEU A 70 5.476 6.236 -6.266 1.00 10.00 C ATOM 1045 O LEU A 70 5.913 5.204 -6.769 1.00 10.00 O ATOM 1046 CB LEU A 70 6.788 8.043 -4.985 1.00 10.00 C ATOM 1047 CG LEU A 70 7.495 7.073 -4.039 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.242 5.996 -4.785 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.416 7.803 -3.059 1.00 10.00 C ATOM 0 H LEU A 70 5.563 9.468 -6.498 1.00 10.00 H new ATOM 0 HA LEU A 70 7.164 7.277 -6.929 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.473 8.868 -5.182 1.00 10.00 H new ATOM 0 HB3 LEU A 70 5.934 8.459 -4.451 1.00 10.00 H new ATOM 0 HG LEU A 70 6.714 6.584 -3.457 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.729 5.330 -4.072 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.543 5.425 -5.396 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.995 6.453 -5.427 1.00 10.00 H new ATOM 0 HD21 LEU A 70 8.899 7.078 -2.405 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.176 8.353 -3.614 1.00 10.00 H new ATOM 0 HD23 LEU A 70 7.830 8.499 -2.459 1.00 10.00 H new ATOM 1061 N SER A 71 4.283 6.285 -5.684 1.00 10.00 N ATOM 1062 CA SER A 71 3.392 5.132 -5.662 1.00 10.00 C ATOM 1063 C SER A 71 3.353 4.405 -7.012 1.00 10.00 C ATOM 1064 O SER A 71 3.488 3.189 -7.038 1.00 10.00 O ATOM 1065 CB SER A 71 1.991 5.519 -5.177 1.00 10.00 C ATOM 1066 OG SER A 71 1.336 6.306 -6.148 1.00 10.00 O ATOM 0 H SER A 71 3.910 7.113 -5.220 1.00 10.00 H new ATOM 0 HA SER A 71 3.801 4.423 -4.942 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.408 4.621 -4.974 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.063 6.071 -4.240 1.00 10.00 H new ATOM 0 HG SER A 71 1.852 7.124 -6.309 1.00 10.00 H new ATOM 1072 N LYS A 72 3.247 5.109 -8.141 1.00 10.00 N ATOM 1073 CA LYS A 72 3.216 4.451 -9.440 1.00 10.00 C ATOM 1074 C LYS A 72 4.489 3.628 -9.696 1.00 10.00 C ATOM 1075 O LYS A 72 4.411 2.523 -10.224 1.00 10.00 O ATOM 1076 CB LYS A 72 2.968 5.449 -10.572 1.00 10.00 C ATOM 1077 CG LYS A 72 1.820 6.422 -10.264 1.00 10.00 C ATOM 1078 CD LYS A 72 1.136 6.824 -11.578 1.00 10.00 C ATOM 1079 CE LYS A 72 0.526 8.235 -11.540 1.00 10.00 C ATOM 1080 NZ LYS A 72 0.971 9.036 -12.698 1.00 10.00 N ATOM 0 H LYS A 72 3.182 6.126 -8.178 1.00 10.00 H new ATOM 0 HA LYS A 72 2.377 3.756 -9.422 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.880 6.017 -10.757 1.00 10.00 H new ATOM 0 HB3 LYS A 72 2.741 4.904 -11.488 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.100 5.954 -9.593 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.203 7.306 -9.754 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.863 6.772 -12.389 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.351 6.103 -11.806 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.562 8.165 -11.539 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.814 8.735 -10.615 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 0.431 9.924 -12.733 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 1.984 9.250 -12.603 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 0.811 8.499 -13.574 1.00 10.00 H new ATOM 1094 N THR A 73 5.655 4.116 -9.268 1.00 10.00 N ATOM 1095 CA THR A 73 6.910 3.362 -9.309 1.00 10.00 C ATOM 1096 C THR A 73 6.818 2.074 -8.475 1.00 10.00 C ATOM 1097 O THR A 73 7.538 1.114 -8.736 1.00 10.00 O ATOM 1098 CB THR A 73 8.087 4.282 -8.912 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.345 5.162 -9.988 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.379 3.549 -8.537 1.00 10.00 C ATOM 0 H THR A 73 5.756 5.054 -8.880 1.00 10.00 H new ATOM 0 HA THR A 73 7.101 3.027 -10.328 1.00 10.00 H new ATOM 0 HB THR A 73 7.778 4.809 -8.009 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.089 5.756 -9.754 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.147 4.277 -8.274 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.192 2.894 -7.686 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.719 2.954 -9.385 1.00 10.00 H new ATOM 1108 N PHE A 74 5.920 2.046 -7.490 1.00 10.00 N ATOM 1109 CA PHE A 74 5.624 0.894 -6.645 1.00 10.00 C ATOM 1110 C PHE A 74 4.400 0.114 -7.131 1.00 10.00 C ATOM 1111 O PHE A 74 4.010 -0.861 -6.486 1.00 10.00 O ATOM 1112 CB PHE A 74 5.383 1.374 -5.208 1.00 10.00 C ATOM 1113 CG PHE A 74 6.641 1.589 -4.404 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.631 2.493 -4.828 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.850 0.817 -3.254 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.824 2.617 -4.099 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.037 0.942 -2.528 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.026 1.842 -2.945 1.00 10.00 C ATOM 0 H PHE A 74 5.356 2.862 -7.251 1.00 10.00 H new ATOM 0 HA PHE A 74 6.480 0.221 -6.690 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.822 2.308 -5.239 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.758 0.644 -4.694 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.474 3.091 -5.713 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.090 0.122 -2.927 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.587 3.308 -4.425 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.193 0.343 -1.643 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.942 1.940 -2.381 1.00 10.00 H new ATOM 1128 N ILE A 75 3.751 0.537 -8.219 1.00 10.00 N ATOM 1129 CA ILE A 75 2.563 -0.153 -8.698 1.00 10.00 C ATOM 1130 C ILE A 75 2.946 -1.576 -9.108 1.00 10.00 C ATOM 1131 O ILE A 75 3.933 -1.773 -9.814 1.00 10.00 O ATOM 1132 CB ILE A 75 1.891 0.646 -9.825 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.372 0.530 -9.677 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.380 0.260 -11.226 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.369 1.222 -10.811 1.00 10.00 C ATOM 0 H ILE A 75 4.028 1.345 -8.776 1.00 10.00 H new ATOM 0 HA ILE A 75 1.820 -0.229 -7.904 1.00 10.00 H new ATOM 0 HB ILE A 75 2.182 1.691 -9.722 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.090 -0.523 -9.650 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.067 0.966 -8.726 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.863 0.864 -11.971 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.453 0.436 -11.298 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.172 -0.795 -11.406 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.443 1.113 -10.663 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.110 2.281 -10.823 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.086 0.769 -11.761 1.00 10.00 H new ATOM 1147 N ILE A 76 2.174 -2.568 -8.664 1.00 10.00 N ATOM 1148 CA ILE A 76 2.399 -3.961 -9.040 1.00 10.00 C ATOM 1149 C ILE A 76 1.275 -4.496 -9.931 1.00 10.00 C ATOM 1150 O ILE A 76 1.363 -5.614 -10.442 1.00 10.00 O ATOM 1151 CB ILE A 76 2.592 -4.805 -7.777 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.471 -4.541 -6.763 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.968 -4.504 -7.159 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.423 -5.618 -5.685 1.00 10.00 C ATOM 0 H ILE A 76 1.381 -2.429 -8.038 1.00 10.00 H new ATOM 0 HA ILE A 76 3.309 -4.025 -9.637 1.00 10.00 H new ATOM 0 HB ILE A 76 2.548 -5.859 -8.050 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.622 -3.567 -6.298 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.513 -4.501 -7.281 1.00 10.00 H new ATOM 0 HG21 ILE A 76 4.103 -5.106 -6.260 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.751 -4.746 -7.878 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.027 -3.447 -6.900 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.617 -5.397 -4.985 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.246 -6.589 -6.148 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.372 -5.639 -5.150 1.00 10.00 H new ATOM 1166 N GLY A 77 0.217 -3.705 -10.111 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.928 -4.014 -10.938 1.00 10.00 C ATOM 1168 C GLY A 77 -2.123 -3.259 -10.385 1.00 10.00 C ATOM 1169 O GLY A 77 -1.967 -2.240 -9.709 1.00 10.00 O ATOM 0 H GLY A 77 0.141 -2.793 -9.660 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.740 -3.725 -11.972 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.121 -5.087 -10.936 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.310 -3.783 -10.666 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.573 -3.163 -10.333 1.00 10.00 C ATOM 1175 C GLU A 78 -5.463 -4.122 -9.544 1.00 10.00 C ATOM 1176 O GLU A 78 -5.159 -5.302 -9.367 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.240 -2.627 -11.611 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.025 -1.116 -11.757 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.743 -0.523 -12.963 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -5.833 -1.226 -13.990 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.189 0.640 -12.824 1.00 10.00 O ATOM 0 H GLU A 78 -3.416 -4.677 -11.146 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.401 -2.310 -9.677 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.831 -3.141 -12.481 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.308 -2.844 -11.586 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.373 -0.617 -10.853 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.957 -0.914 -11.842 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.569 -3.589 -9.039 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.572 -4.376 -8.346 1.00 10.00 C ATOM 1190 C LEU A 79 -8.384 -5.164 -9.379 1.00 10.00 C ATOM 1191 O LEU A 79 -8.846 -4.596 -10.373 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.455 -3.416 -7.551 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.663 -4.110 -6.903 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.338 -4.544 -5.474 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.848 -3.147 -6.956 1.00 10.00 C ATOM 0 H LEU A 79 -6.793 -2.596 -9.101 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.118 -5.090 -7.659 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.857 -2.939 -6.774 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.809 -2.625 -8.212 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.917 -5.019 -7.448 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.208 -5.033 -5.035 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.499 -5.240 -5.487 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.075 -3.669 -4.879 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.720 -3.617 -6.501 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.601 -2.236 -6.411 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.070 -2.900 -7.994 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.593 -6.460 -9.138 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.426 -7.315 -9.977 1.00 10.00 C ATOM 1209 C HIS A 80 -10.804 -6.691 -10.232 1.00 10.00 C ATOM 1210 O HIS A 80 -11.412 -6.138 -9.317 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.558 -8.694 -9.321 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.705 -9.826 -10.299 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.871 -10.467 -10.631 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.689 -10.435 -10.988 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.572 -11.421 -11.523 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.254 -11.437 -11.781 1.00 10.00 N ATOM 0 H HIS A 80 -8.181 -6.949 -8.343 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.946 -7.423 -10.949 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.680 -8.875 -8.701 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.422 -8.687 -8.656 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.640 -10.185 -10.929 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.293 -12.087 -11.974 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.764 -12.056 -12.426 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.330 -6.778 -11.463 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.657 -6.275 -11.778 1.00 10.00 C ATOM 1226 C PRO A 81 -13.772 -7.070 -11.085 1.00 10.00 C ATOM 1227 O PRO A 81 -14.910 -6.618 -11.097 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.762 -6.327 -13.305 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.784 -7.434 -13.698 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.692 -7.346 -12.640 1.00 10.00 C ATOM 0 HA PRO A 81 -12.790 -5.259 -11.406 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.777 -6.556 -13.629 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.490 -5.373 -13.758 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.265 -8.412 -13.696 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.384 -7.277 -14.700 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.276 -8.330 -12.424 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.867 -6.719 -12.979 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.462 -8.228 -10.485 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.434 -9.020 -9.730 1.00 10.00 C ATOM 1240 C ASP A 82 -14.774 -8.359 -8.389 1.00 10.00 C ATOM 1241 O ASP A 82 -15.892 -8.478 -7.897 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.878 -10.431 -9.510 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.903 -11.354 -8.868 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.877 -11.689 -9.575 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.650 -11.756 -7.713 1.00 10.00 O ATOM 0 H ASP A 82 -12.529 -8.639 -10.512 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.357 -9.079 -10.306 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.562 -10.849 -10.466 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.992 -10.377 -8.877 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.792 -7.673 -7.792 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.970 -6.970 -6.526 1.00 10.00 C ATOM 1252 C ASP A 83 -14.957 -5.805 -6.677 1.00 10.00 C ATOM 1253 O ASP A 83 -15.846 -5.622 -5.847 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.603 -6.477 -6.046 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.717 -5.616 -4.795 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.104 -4.437 -4.922 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.356 -6.150 -3.731 1.00 10.00 O ATOM 0 H ASP A 83 -12.851 -7.593 -8.178 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.392 -7.650 -5.786 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.960 -7.333 -5.840 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.125 -5.903 -6.840 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.747 -5.015 -7.734 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.501 -3.803 -8.024 1.00 10.00 C ATOM 1264 C ARG A 84 -16.995 -4.067 -8.238 1.00 10.00 C ATOM 1265 O ARG A 84 -17.328 -5.141 -8.782 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.919 -3.125 -9.271 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.968 -1.993 -8.873 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.194 -1.487 -10.093 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.164 -2.455 -10.512 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.512 -2.417 -11.685 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.836 -1.489 -12.593 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.538 -3.291 -11.956 1.00 10.00 N ATOM 0 H ARG A 84 -14.026 -5.211 -8.428 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.411 -3.153 -7.154 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.387 -3.859 -9.876 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.726 -2.729 -9.887 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.534 -1.174 -8.429 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.270 -2.347 -8.114 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.885 -1.309 -10.917 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.725 -0.532 -9.858 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.930 -3.207 -9.864 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.575 -0.815 -12.392 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.344 -1.455 -13.486 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.282 -3.999 -11.268 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.051 -3.251 -12.851 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.895 7.179 3.002 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.486 9.719 4.722 1.00 10.00 C HETATM 1289 CHB HEM A 201 4.967 7.631 0.267 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.165 4.696 1.319 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.774 6.685 5.786 1.00 10.00 C HETATM 1292 NA HEM A 201 4.454 8.429 2.578 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.899 9.415 3.413 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.877 10.181 2.678 1.00 10.00 C HETATM 1295 C3A HEM A 201 6.034 9.590 1.441 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.130 8.465 1.383 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.917 10.080 0.316 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.405 11.531 3.105 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.310 12.602 3.048 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.875 13.980 3.350 1.00 10.00 C HETATM 1301 O1A HEM A 201 6.453 14.568 2.412 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.723 14.413 4.512 1.00 10.00 O HETATM 1303 NB HEM A 201 3.076 6.284 1.174 1.00 10.00 N HETATM 1304 C1B HEM A 201 3.997 6.628 0.206 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.758 5.782 -0.943 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.709 4.967 -0.606 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.256 5.295 0.714 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.493 5.768 -2.257 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.059 3.950 -1.514 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.741 2.715 -1.099 1.00 10.00 C HETATM 1311 NC HEM A 201 1.264 5.930 3.463 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.736 5.005 2.602 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.405 4.400 3.246 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.484 4.959 4.491 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.563 5.930 4.642 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.337 3.373 2.677 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.500 4.579 5.541 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.442 3.347 6.088 1.00 10.00 C HETATM 1319 ND HEM A 201 2.657 8.062 4.913 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.761 7.665 5.870 1.00 10.00 C HETATM 1321 C2D HEM A 201 2.044 8.413 7.066 1.00 10.00 C HETATM 1322 C3D HEM A 201 3.064 9.290 6.771 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.457 9.052 5.397 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.449 8.158 8.431 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.741 10.185 7.785 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.880 11.333 8.302 1.00 10.00 C HETATM 1327 CGD HEM A 201 3.081 11.514 9.802 1.00 10.00 C HETATM 1328 O1D HEM A 201 4.116 12.111 10.167 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.220 11.011 10.555 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.064 11.156 0.411 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.442 9.862 -0.641 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.882 9.576 0.365 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 4.870 6.767 -2.473 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 3.814 5.457 -3.051 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.328 5.069 -2.200 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.402 3.500 1.596 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -2.327 3.496 3.117 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.961 2.375 2.903 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 2.162 8.456 9.200 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.223 7.097 8.537 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 0.532 8.737 8.542 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.273 2.012 -1.788 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.951 2.414 -0.073 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.166 3.053 6.848 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.671 2.645 5.770 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.525 12.362 3.765 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.849 12.603 2.060 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 7.234 11.821 2.459 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.800 11.465 4.119 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.830 11.132 8.091 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 3.139 12.254 7.780 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.644 10.600 7.337 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 4.057 9.576 8.632 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.995 10.518 5.240 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.620 7.771 -0.582 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.619 3.948 0.763 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.147 6.506 6.647 1.00 10.00 H new HETATM 0 HAB HEM A 201 1.840 4.230 -2.544 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.267 5.288 5.852 1.00 10.00 H new