USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 876 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 24 ASN : amide:sc= -0.859 X(o=-3,f=-2.9) USER MOD Set 1.2: A 102 ASN : amide:sc= -2.18 K(o=-3,f=-7.3!) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 101 LYS NZ :NH3+ 159:sc= -0.0606 (180deg=-0.36) USER MOD Set 3.1: A 67 ASN : amide:sc= -0.211 X(o=-0.2,f=-0.6) USER MOD Set 3.2: A 79 GLN : amide:sc= 0.0143 X(o=-0.2,f=-0.68) USER MOD Set 4.1: A 64 CYS SG : rot 180:sc= -0.149 USER MOD Set 4.2: A 84 GLN : amide:sc= -0.612 K(o=-0.76,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.0231 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 47:sc= 0.0912 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00224 USER MOD Single : A 22 THR OG1 : rot -47:sc= 0.989 USER MOD Single : A 23 SER OG : rot -63:sc= 0.144 USER MOD Single : A 27 HIS : no HD1:sc= -2.33 X(o=-2.3,f=-2.3) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -157:sc= 1.24 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 41 THR OG1 : rot -38:sc= -0.366 USER MOD Single : A 43 GLN : amide:sc= -1.84 K(o=-1.8,f=-9.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.5 (180deg=-1.33) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.7) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -108:sc= -2.58! (180deg=-6.24!) USER MOD Single : A 94 SER OG : rot 94:sc= 1.19 USER MOD Single : A 95 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.059) USER MOD Single : A 99 GLN : amide:sc= -0.8 X(o=-0.8,f=-1.2) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= -0.0478 (180deg=-0.567) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.850 -71.357 7.551 1.00 0.00 N ATOM 2 CA MET A 1 -0.360 -70.394 8.533 1.00 0.00 C ATOM 3 C MET A 1 0.676 -69.464 7.913 1.00 0.00 C ATOM 4 O MET A 1 1.204 -69.739 6.836 1.00 0.00 O ATOM 5 CB MET A 1 0.244 -71.123 9.734 1.00 0.00 C ATOM 6 CG MET A 1 -0.103 -70.483 11.070 1.00 0.00 C ATOM 7 SD MET A 1 -0.977 -71.610 12.172 1.00 0.00 S ATOM 8 CE MET A 1 -2.596 -70.847 12.222 1.00 0.00 C ATOM 0 H1 MET A 1 -1.877 -71.474 7.662 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.643 -71.011 6.592 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.379 -72.273 7.698 1.00 0.00 H new ATOM 0 HA MET A 1 -1.205 -69.793 8.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.103 -72.156 9.734 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.328 -71.151 9.624 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.812 -70.144 11.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.718 -69.600 10.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.253 -71.431 12.866 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.509 -69.834 12.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.013 -70.811 11.215 1.00 0.00 H new ATOM 17 N SER A 2 0.962 -68.363 8.598 1.00 0.00 N ATOM 18 CA SER A 2 1.932 -67.390 8.112 1.00 0.00 C ATOM 19 C SER A 2 1.494 -66.807 6.771 1.00 0.00 C ATOM 20 O SER A 2 0.370 -67.037 6.321 1.00 0.00 O ATOM 21 CB SER A 2 3.311 -68.038 7.973 1.00 0.00 C ATOM 22 OG SER A 2 3.718 -68.638 9.190 1.00 0.00 O ATOM 0 H SER A 2 0.535 -68.122 9.493 1.00 0.00 H new ATOM 0 HA SER A 2 1.991 -66.580 8.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.285 -68.790 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.041 -67.286 7.673 1.00 0.00 H new ATOM 0 HG SER A 2 4.601 -69.046 9.074 1.00 0.00 H new ATOM 28 N ILE A 3 2.386 -66.053 6.140 1.00 0.00 N ATOM 29 CA ILE A 3 2.093 -65.440 4.851 1.00 0.00 C ATOM 30 C ILE A 3 0.886 -64.511 4.946 1.00 0.00 C ATOM 31 O ILE A 3 -0.257 -64.958 4.878 1.00 0.00 O ATOM 32 CB ILE A 3 1.826 -66.502 3.769 1.00 0.00 C ATOM 33 CG1 ILE A 3 2.971 -67.515 3.724 1.00 0.00 C ATOM 34 CG2 ILE A 3 1.641 -65.842 2.412 1.00 0.00 C ATOM 35 CD1 ILE A 3 4.296 -66.912 3.315 1.00 0.00 C ATOM 0 H ILE A 3 3.319 -65.852 6.501 1.00 0.00 H new ATOM 0 HA ILE A 3 2.973 -64.861 4.570 1.00 0.00 H new ATOM 0 HB ILE A 3 0.907 -67.032 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.078 -67.974 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.713 -68.312 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.453 -66.607 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.794 -65.157 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.543 -65.289 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.061 -67.688 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.206 -66.478 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.577 -66.135 4.026 1.00 0.00 H new ATOM 47 N GLU A 4 1.153 -63.219 5.101 1.00 0.00 N ATOM 48 CA GLU A 4 0.087 -62.228 5.204 1.00 0.00 C ATOM 49 C GLU A 4 0.649 -60.812 5.101 1.00 0.00 C ATOM 50 O GLU A 4 1.789 -60.555 5.489 1.00 0.00 O ATOM 51 CB GLU A 4 -0.666 -62.393 6.525 1.00 0.00 C ATOM 52 CG GLU A 4 -2.162 -62.151 6.406 1.00 0.00 C ATOM 53 CD GLU A 4 -2.609 -60.893 7.125 1.00 0.00 C ATOM 54 OE1 GLU A 4 -2.527 -60.860 8.370 1.00 0.00 O ATOM 55 OE2 GLU A 4 -3.041 -59.941 6.442 1.00 0.00 O ATOM 0 H GLU A 4 2.096 -62.834 5.158 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.604 -62.388 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.498 -63.400 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.252 -61.702 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.432 -62.078 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.698 -63.008 6.814 1.00 0.00 H new ATOM 62 N ASN A 5 -0.159 -59.899 4.573 1.00 0.00 N ATOM 63 CA ASN A 5 0.257 -58.509 4.417 1.00 0.00 C ATOM 64 C ASN A 5 -0.926 -57.628 4.028 1.00 0.00 C ATOM 65 O ASN A 5 -2.055 -58.104 3.906 1.00 0.00 O ATOM 66 CB ASN A 5 1.359 -58.401 3.361 1.00 0.00 C ATOM 67 CG ASN A 5 0.814 -58.469 1.948 1.00 0.00 C ATOM 68 OD1 ASN A 5 0.061 -59.524 1.655 1.00 0.00 O flip ATOM 69 ND2 ASN A 5 1.067 -57.584 1.130 1.00 0.00 N flip ATOM 0 H ASN A 5 -1.105 -60.096 4.246 1.00 0.00 H new ATOM 0 HA ASN A 5 0.646 -58.161 5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.897 -57.462 3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.080 -59.205 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.650 -56.792 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.693 -57.643 0.183 1.00 0.00 H new ATOM 76 N LEU A 6 -0.658 -56.341 3.832 1.00 0.00 N ATOM 77 CA LEU A 6 -1.699 -55.393 3.453 1.00 0.00 C ATOM 78 C LEU A 6 -1.219 -54.472 2.336 1.00 0.00 C ATOM 79 O LEU A 6 -0.018 -54.331 2.106 1.00 0.00 O ATOM 80 CB LEU A 6 -2.124 -54.562 4.666 1.00 0.00 C ATOM 81 CG LEU A 6 -3.610 -54.214 4.755 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.345 -55.227 5.620 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.797 -52.807 5.302 1.00 0.00 C ATOM 0 H LEU A 6 0.271 -55.931 3.929 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.556 -55.960 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.844 -55.105 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.554 -53.633 4.663 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.032 -54.250 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.401 -54.963 5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.240 -56.221 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.921 -55.224 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.861 -52.577 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.359 -52.743 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.306 -52.092 4.642 1.00 0.00 H new ATOM 95 N LYS A 7 -2.165 -53.847 1.643 1.00 0.00 N ATOM 96 CA LYS A 7 -1.840 -52.939 0.552 1.00 0.00 C ATOM 97 C LYS A 7 -2.479 -51.571 0.773 1.00 0.00 C ATOM 98 O LYS A 7 -3.621 -51.475 1.225 1.00 0.00 O ATOM 99 CB LYS A 7 -2.310 -53.522 -0.783 1.00 0.00 C ATOM 100 CG LYS A 7 -1.193 -54.147 -1.601 1.00 0.00 C ATOM 101 CD LYS A 7 -0.228 -53.096 -2.121 1.00 0.00 C ATOM 102 CE LYS A 7 1.112 -53.708 -2.504 1.00 0.00 C ATOM 103 NZ LYS A 7 1.628 -53.155 -3.786 1.00 0.00 N ATOM 0 H LYS A 7 -3.164 -53.954 1.819 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.757 -52.816 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.074 -54.275 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.780 -52.732 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.652 -54.868 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.619 -54.698 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.663 -52.599 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.075 -52.332 -1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.836 -53.522 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.006 -54.789 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.542 -53.597 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.949 -53.354 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.754 -52.127 -3.695 1.00 0.00 H new ATOM 117 N SER A 8 -1.737 -50.517 0.452 1.00 0.00 N ATOM 118 CA SER A 8 -2.230 -49.154 0.618 1.00 0.00 C ATOM 119 C SER A 8 -1.399 -48.171 -0.200 1.00 0.00 C ATOM 120 O SER A 8 -0.174 -48.273 -0.255 1.00 0.00 O ATOM 121 CB SER A 8 -2.203 -48.756 2.095 1.00 0.00 C ATOM 122 OG SER A 8 -3.506 -48.772 2.652 1.00 0.00 O ATOM 0 H SER A 8 -0.791 -50.580 0.075 1.00 0.00 H new ATOM 0 HA SER A 8 -3.258 -49.120 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.560 -49.441 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.772 -47.760 2.199 1.00 0.00 H new ATOM 0 HG SER A 8 -3.962 -49.601 2.395 1.00 0.00 H new ATOM 128 N PHE A 9 -2.075 -47.221 -0.836 1.00 0.00 N ATOM 129 CA PHE A 9 -1.402 -46.219 -1.654 1.00 0.00 C ATOM 130 C PHE A 9 -1.560 -44.827 -1.049 1.00 0.00 C ATOM 131 O PHE A 9 -2.355 -44.625 -0.132 1.00 0.00 O ATOM 132 CB PHE A 9 -1.957 -46.235 -3.078 1.00 0.00 C ATOM 133 CG PHE A 9 -0.898 -46.388 -4.133 1.00 0.00 C ATOM 134 CD1 PHE A 9 -0.346 -47.630 -4.404 1.00 0.00 C ATOM 135 CD2 PHE A 9 -0.456 -45.290 -4.854 1.00 0.00 C ATOM 136 CE1 PHE A 9 0.629 -47.773 -5.372 1.00 0.00 C ATOM 137 CE2 PHE A 9 0.518 -45.428 -5.825 1.00 0.00 C ATOM 138 CZ PHE A 9 1.061 -46.671 -6.086 1.00 0.00 C ATOM 0 H PHE A 9 -3.090 -47.124 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.340 -46.464 -1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.672 -47.052 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.505 -45.310 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.682 -48.496 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.877 -44.316 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.054 -48.746 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.854 -44.564 -6.379 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.821 -46.782 -6.846 1.00 0.00 H new ATOM 148 N ASP A 10 -0.798 -43.872 -1.570 1.00 0.00 N ATOM 149 CA ASP A 10 -0.854 -42.498 -1.083 1.00 0.00 C ATOM 150 C ASP A 10 -1.304 -41.548 -2.188 1.00 0.00 C ATOM 151 O ASP A 10 -1.225 -41.857 -3.377 1.00 0.00 O ATOM 152 CB ASP A 10 0.513 -42.069 -0.549 1.00 0.00 C ATOM 153 CG ASP A 10 1.659 -42.702 -1.313 1.00 0.00 C ATOM 154 OD1 ASP A 10 1.991 -42.200 -2.408 1.00 0.00 O ATOM 155 OD2 ASP A 10 2.222 -43.700 -0.817 1.00 0.00 O ATOM 0 H ASP A 10 -0.134 -44.024 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.582 -42.454 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.598 -40.984 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.589 -42.339 0.504 1.00 0.00 H new ATOM 160 N PRO A 11 -1.788 -40.362 -1.789 1.00 0.00 N ATOM 161 CA PRO A 11 -2.262 -39.343 -2.730 1.00 0.00 C ATOM 162 C PRO A 11 -1.122 -38.719 -3.528 1.00 0.00 C ATOM 163 O PRO A 11 0.050 -38.894 -3.198 1.00 0.00 O ATOM 164 CB PRO A 11 -2.913 -38.297 -1.822 1.00 0.00 C ATOM 165 CG PRO A 11 -2.235 -38.463 -0.506 1.00 0.00 C ATOM 166 CD PRO A 11 -1.911 -39.926 -0.388 1.00 0.00 C ATOM 0 HA PRO A 11 -2.939 -39.760 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.773 -37.290 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.987 -38.460 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.330 -37.858 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.882 -38.140 0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.987 -40.089 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.697 -40.471 0.135 1.00 0.00 H new ATOM 174 N PHE A 12 -1.475 -37.989 -4.582 1.00 0.00 N ATOM 175 CA PHE A 12 -0.481 -37.338 -5.429 1.00 0.00 C ATOM 176 C PHE A 12 0.211 -36.203 -4.681 1.00 0.00 C ATOM 177 O PHE A 12 1.435 -36.077 -4.717 1.00 0.00 O ATOM 178 CB PHE A 12 -1.138 -36.801 -6.702 1.00 0.00 C ATOM 179 CG PHE A 12 -0.152 -36.362 -7.746 1.00 0.00 C ATOM 180 CD1 PHE A 12 0.524 -37.295 -8.516 1.00 0.00 C ATOM 181 CD2 PHE A 12 0.099 -35.016 -7.957 1.00 0.00 C ATOM 182 CE1 PHE A 12 1.432 -36.894 -9.477 1.00 0.00 C ATOM 183 CE2 PHE A 12 1.007 -34.607 -8.917 1.00 0.00 C ATOM 184 CZ PHE A 12 1.674 -35.548 -9.678 1.00 0.00 C ATOM 0 H PHE A 12 -2.441 -37.834 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 12 0.270 -38.080 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.781 -37.574 -7.123 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.780 -35.959 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.339 -38.348 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.421 -34.277 -7.365 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.952 -37.631 -10.070 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.194 -33.555 -9.071 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.383 -35.232 -10.429 1.00 0.00 H new ATOM 194 N ALA A 13 -0.582 -35.378 -4.005 1.00 0.00 N ATOM 195 CA ALA A 13 -0.047 -34.254 -3.248 1.00 0.00 C ATOM 196 C ALA A 13 -1.114 -33.641 -2.347 1.00 0.00 C ATOM 197 O ALA A 13 -2.222 -34.167 -2.235 1.00 0.00 O ATOM 198 CB ALA A 13 0.518 -33.203 -4.191 1.00 0.00 C ATOM 0 H ALA A 13 -1.597 -35.467 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 13 0.757 -34.626 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.914 -32.369 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.317 -33.642 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.272 -32.843 -4.850 1.00 0.00 H new ATOM 204 N ASP A 14 -0.775 -32.527 -1.708 1.00 0.00 N ATOM 205 CA ASP A 14 -1.704 -31.841 -0.818 1.00 0.00 C ATOM 206 C ASP A 14 -1.709 -30.340 -1.090 1.00 0.00 C ATOM 207 O ASP A 14 -0.676 -29.751 -1.407 1.00 0.00 O ATOM 208 CB ASP A 14 -1.334 -32.106 0.643 1.00 0.00 C ATOM 209 CG ASP A 14 0.015 -31.522 1.013 1.00 0.00 C ATOM 210 OD1 ASP A 14 0.118 -30.281 1.115 1.00 0.00 O ATOM 211 OD2 ASP A 14 0.969 -32.306 1.202 1.00 0.00 O ATOM 0 H ASP A 14 0.138 -32.079 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.704 -32.230 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.101 -31.682 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.323 -33.181 0.823 1.00 0.00 H new ATOM 216 N THR A 15 -2.882 -29.725 -0.965 1.00 0.00 N ATOM 217 CA THR A 15 -3.024 -28.294 -1.199 1.00 0.00 C ATOM 218 C THR A 15 -3.972 -27.663 -0.185 1.00 0.00 C ATOM 219 O THR A 15 -4.991 -28.248 0.175 1.00 0.00 O ATOM 220 CB THR A 15 -3.543 -28.006 -2.620 1.00 0.00 C ATOM 221 OG1 THR A 15 -4.489 -29.009 -3.008 1.00 0.00 O ATOM 222 CG2 THR A 15 -2.396 -27.970 -3.619 1.00 0.00 C ATOM 0 H THR A 15 -3.747 -30.197 -0.703 1.00 0.00 H new ATOM 0 HA THR A 15 -2.033 -27.855 -1.087 1.00 0.00 H new ATOM 0 HB THR A 15 -4.029 -27.030 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.816 -28.818 -3.912 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.788 -27.765 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.693 -27.186 -3.337 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.885 -28.933 -3.621 1.00 0.00 H new ATOM 230 N GLY A 16 -3.626 -26.462 0.271 1.00 0.00 N ATOM 231 CA GLY A 16 -4.459 -25.770 1.238 1.00 0.00 C ATOM 232 C GLY A 16 -3.821 -24.490 1.740 1.00 0.00 C ATOM 233 O GLY A 16 -2.612 -24.300 1.615 1.00 0.00 O ATOM 0 H GLY A 16 -2.786 -25.957 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.422 -25.539 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.655 -26.430 2.083 1.00 0.00 H new ATOM 237 N ASP A 17 -4.636 -23.608 2.311 1.00 0.00 N ATOM 238 CA ASP A 17 -4.145 -22.340 2.833 1.00 0.00 C ATOM 239 C ASP A 17 -5.071 -21.805 3.921 1.00 0.00 C ATOM 240 O ASP A 17 -6.244 -21.529 3.671 1.00 0.00 O ATOM 241 CB ASP A 17 -4.018 -21.314 1.705 1.00 0.00 C ATOM 242 CG ASP A 17 -2.727 -20.523 1.784 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.491 -19.873 2.823 1.00 0.00 O ATOM 244 OD2 ASP A 17 -1.951 -20.556 0.804 1.00 0.00 O ATOM 0 H ASP A 17 -5.640 -23.750 2.423 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.161 -22.512 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.068 -21.827 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.864 -20.628 1.745 1.00 0.00 H new ATOM 249 N ASP A 18 -4.535 -21.663 5.129 1.00 0.00 N ATOM 250 CA ASP A 18 -5.313 -21.160 6.256 1.00 0.00 C ATOM 251 C ASP A 18 -4.778 -19.812 6.728 1.00 0.00 C ATOM 252 O ASP A 18 -3.570 -19.630 6.870 1.00 0.00 O ATOM 253 CB ASP A 18 -5.287 -22.166 7.408 1.00 0.00 C ATOM 254 CG ASP A 18 -6.676 -22.624 7.806 1.00 0.00 C ATOM 255 OD1 ASP A 18 -7.501 -21.765 8.178 1.00 0.00 O ATOM 256 OD2 ASP A 18 -6.938 -23.846 7.747 1.00 0.00 O ATOM 0 H ASP A 18 -3.566 -21.889 5.353 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.343 -21.024 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.691 -23.031 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.795 -21.715 8.270 1.00 0.00 H new ATOM 261 N GLU A 19 -5.687 -18.872 6.968 1.00 0.00 N ATOM 262 CA GLU A 19 -5.304 -17.540 7.423 1.00 0.00 C ATOM 263 C GLU A 19 -6.524 -16.758 7.902 1.00 0.00 C ATOM 264 O GLU A 19 -7.661 -17.089 7.564 1.00 0.00 O ATOM 265 CB GLU A 19 -4.604 -16.775 6.298 1.00 0.00 C ATOM 266 CG GLU A 19 -3.581 -15.767 6.794 1.00 0.00 C ATOM 267 CD GLU A 19 -2.294 -15.801 5.993 1.00 0.00 C ATOM 268 OE1 GLU A 19 -1.391 -16.586 6.356 1.00 0.00 O ATOM 269 OE2 GLU A 19 -2.187 -15.043 5.006 1.00 0.00 O ATOM 0 H GLU A 19 -6.692 -19.008 6.855 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.615 -17.653 8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.109 -17.488 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.354 -16.256 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.009 -14.766 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.358 -15.967 7.842 1.00 0.00 H new ATOM 276 N THR A 20 -6.280 -15.719 8.695 1.00 0.00 N ATOM 277 CA THR A 20 -7.357 -14.891 9.223 1.00 0.00 C ATOM 278 C THR A 20 -7.761 -13.813 8.224 1.00 0.00 C ATOM 279 O THR A 20 -8.949 -13.572 8.004 1.00 0.00 O ATOM 280 CB THR A 20 -6.950 -14.219 10.548 1.00 0.00 C ATOM 281 OG1 THR A 20 -5.696 -13.547 10.391 1.00 0.00 O ATOM 282 CG2 THR A 20 -6.843 -15.246 11.664 1.00 0.00 C ATOM 0 H THR A 20 -5.346 -15.431 8.986 1.00 0.00 H new ATOM 0 HA THR A 20 -8.205 -15.552 9.404 1.00 0.00 H new ATOM 0 HB THR A 20 -7.720 -13.494 10.814 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.445 -13.121 11.237 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.554 -14.748 12.590 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.807 -15.736 11.801 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.091 -15.990 11.403 1.00 0.00 H new ATOM 290 N ALA A 21 -6.769 -13.169 7.619 1.00 0.00 N ATOM 291 CA ALA A 21 -7.023 -12.119 6.641 1.00 0.00 C ATOM 292 C ALA A 21 -7.768 -10.948 7.273 1.00 0.00 C ATOM 293 O ALA A 21 -7.931 -10.887 8.493 1.00 0.00 O ATOM 294 CB ALA A 21 -7.810 -12.673 5.463 1.00 0.00 C ATOM 0 H ALA A 21 -5.781 -13.356 7.789 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.062 -11.753 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.992 -11.877 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.240 -13.471 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.763 -13.068 5.816 1.00 0.00 H new ATOM 300 N THR A 22 -8.220 -10.019 6.437 1.00 0.00 N ATOM 301 CA THR A 22 -8.946 -8.850 6.914 1.00 0.00 C ATOM 302 C THR A 22 -8.372 -8.346 8.233 1.00 0.00 C ATOM 303 O THR A 22 -9.114 -8.008 9.156 1.00 0.00 O ATOM 304 CB THR A 22 -10.443 -9.156 7.103 1.00 0.00 C ATOM 305 OG1 THR A 22 -11.134 -7.979 7.535 1.00 0.00 O ATOM 306 CG2 THR A 22 -10.644 -10.270 8.119 1.00 0.00 C ATOM 0 H THR A 22 -8.096 -10.054 5.425 1.00 0.00 H new ATOM 0 HA THR A 22 -8.834 -8.078 6.153 1.00 0.00 H new ATOM 0 HB THR A 22 -10.847 -9.482 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.639 -7.560 8.270 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.709 -10.468 8.236 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.143 -11.174 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.224 -9.968 9.078 1.00 0.00 H new ATOM 314 N SER A 23 -7.046 -8.297 8.316 1.00 0.00 N ATOM 315 CA SER A 23 -6.372 -7.837 9.525 1.00 0.00 C ATOM 316 C SER A 23 -5.190 -6.937 9.178 1.00 0.00 C ATOM 317 O SER A 23 -4.038 -7.275 9.450 1.00 0.00 O ATOM 318 CB SER A 23 -5.893 -9.032 10.353 1.00 0.00 C ATOM 319 OG SER A 23 -5.309 -8.605 11.572 1.00 0.00 O ATOM 0 H SER A 23 -6.417 -8.570 7.561 1.00 0.00 H new ATOM 0 HA SER A 23 -7.086 -7.260 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.733 -9.695 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.167 -9.608 9.780 1.00 0.00 H new ATOM 0 HG SER A 23 -4.513 -8.065 11.382 1.00 0.00 H new ATOM 325 N ASN A 24 -5.485 -5.789 8.576 1.00 0.00 N ATOM 326 CA ASN A 24 -4.447 -4.840 8.193 1.00 0.00 C ATOM 327 C ASN A 24 -3.539 -5.431 7.119 1.00 0.00 C ATOM 328 O ASN A 24 -2.795 -6.379 7.374 1.00 0.00 O ATOM 329 CB ASN A 24 -3.618 -4.437 9.414 1.00 0.00 C ATOM 330 CG ASN A 24 -4.478 -4.150 10.629 1.00 0.00 C ATOM 331 OD1 ASN A 24 -4.176 -4.596 11.736 1.00 0.00 O ATOM 332 ND2 ASN A 24 -5.558 -3.405 10.426 1.00 0.00 N ATOM 0 H ASN A 24 -6.433 -5.494 8.343 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.933 -3.954 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.914 -5.235 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.028 -3.553 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.177 -3.181 11.205 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.769 -3.057 9.491 1.00 0.00 H new ATOM 339 N TYR A 25 -3.603 -4.866 5.920 1.00 0.00 N ATOM 340 CA TYR A 25 -2.789 -5.337 4.806 1.00 0.00 C ATOM 341 C TYR A 25 -1.547 -4.467 4.631 1.00 0.00 C ATOM 342 O TYR A 25 -0.534 -4.912 4.092 1.00 0.00 O ATOM 343 CB TYR A 25 -3.607 -5.344 3.514 1.00 0.00 C ATOM 344 CG TYR A 25 -3.973 -6.730 3.037 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.094 -7.384 3.535 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.200 -7.387 2.087 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.434 -8.651 3.102 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.534 -8.654 1.648 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.651 -9.281 2.157 1.00 0.00 C ATOM 350 OH TYR A 25 -4.985 -10.544 1.724 1.00 0.00 O ATOM 0 H TYR A 25 -4.211 -4.079 5.694 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.469 -6.355 5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.520 -4.769 3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.040 -4.838 2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.710 -6.893 4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.324 -6.899 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.307 -9.145 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.922 -9.151 0.909 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.332 -10.845 1.057 1.00 0.00 H new ATOM 360 N ILE A 26 -1.634 -3.224 5.095 1.00 0.00 N ATOM 361 CA ILE A 26 -0.520 -2.292 4.991 1.00 0.00 C ATOM 362 C ILE A 26 -0.540 -1.282 6.134 1.00 0.00 C ATOM 363 O ILE A 26 -1.521 -0.562 6.323 1.00 0.00 O ATOM 364 CB ILE A 26 -0.541 -1.534 3.651 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.963 -1.072 3.324 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.007 -2.412 2.536 1.00 0.00 C ATOM 367 CD1 ILE A 26 -2.020 0.003 2.262 1.00 0.00 C ATOM 0 H ILE A 26 -2.465 -2.841 5.546 1.00 0.00 H new ATOM 0 HA ILE A 26 0.393 -2.885 5.048 1.00 0.00 H new ATOM 0 HB ILE A 26 0.096 -0.654 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.548 -1.930 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.433 -0.698 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.015 -1.862 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.034 -2.695 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.605 -3.309 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.058 0.282 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.463 0.877 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.580 -0.374 1.339 1.00 0.00 H new ATOM 379 N HIS A 27 0.549 -1.233 6.893 1.00 0.00 N ATOM 380 CA HIS A 27 0.657 -0.310 8.017 1.00 0.00 C ATOM 381 C HIS A 27 1.287 1.009 7.578 1.00 0.00 C ATOM 382 O HIS A 27 2.174 1.030 6.724 1.00 0.00 O ATOM 383 CB HIS A 27 1.486 -0.934 9.140 1.00 0.00 C ATOM 384 CG HIS A 27 0.661 -1.644 10.171 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.629 -1.270 11.497 1.00 0.00 N ATOM 386 CD2 HIS A 27 -0.168 -2.707 10.060 1.00 0.00 C ATOM 387 CE1 HIS A 27 -0.181 -2.076 12.159 1.00 0.00 C ATOM 388 NE2 HIS A 27 -0.678 -2.958 11.310 1.00 0.00 N ATOM 0 H HIS A 27 1.370 -1.822 6.750 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.348 -0.108 8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.197 -1.638 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.068 -0.152 9.628 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.388 -3.256 9.156 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.400 -2.023 13.215 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.333 -3.703 11.545 1.00 0.00 H new ATOM 396 N ILE A 28 0.821 2.106 8.165 1.00 0.00 N ATOM 397 CA ILE A 28 1.340 3.428 7.835 1.00 0.00 C ATOM 398 C ILE A 28 1.396 4.321 9.069 1.00 0.00 C ATOM 399 O ILE A 28 0.364 4.711 9.613 1.00 0.00 O ATOM 400 CB ILE A 28 0.480 4.116 6.757 1.00 0.00 C ATOM 401 CG1 ILE A 28 -0.121 3.073 5.810 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.312 5.125 5.981 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.915 3.676 4.674 1.00 0.00 C ATOM 0 H ILE A 28 0.085 2.106 8.871 1.00 0.00 H new ATOM 0 HA ILE A 28 2.349 3.284 7.448 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.336 4.647 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.682 2.463 5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.767 2.406 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.691 5.603 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.697 5.882 6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.145 4.615 5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.311 2.880 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.740 4.263 5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.268 4.321 4.080 1.00 0.00 H new ATOM 415 N ARG A 29 2.611 4.642 9.504 1.00 0.00 N ATOM 416 CA ARG A 29 2.802 5.491 10.675 1.00 0.00 C ATOM 417 C ARG A 29 3.732 6.658 10.353 1.00 0.00 C ATOM 418 O ARG A 29 4.954 6.504 10.334 1.00 0.00 O ATOM 419 CB ARG A 29 3.375 4.674 11.833 1.00 0.00 C ATOM 420 CG ARG A 29 3.803 5.520 13.023 1.00 0.00 C ATOM 421 CD ARG A 29 4.186 4.655 14.212 1.00 0.00 C ATOM 422 NE ARG A 29 5.626 4.412 14.271 1.00 0.00 N ATOM 423 CZ ARG A 29 6.507 5.311 14.694 1.00 0.00 C ATOM 424 NH1 ARG A 29 6.097 6.508 15.093 1.00 0.00 N ATOM 425 NH2 ARG A 29 7.800 5.014 14.718 1.00 0.00 N ATOM 0 H ARG A 29 3.476 4.328 9.064 1.00 0.00 H new ATOM 0 HA ARG A 29 1.831 5.892 10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.628 3.952 12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.233 4.105 11.475 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.649 6.146 12.740 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.991 6.190 13.306 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.862 5.140 15.133 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.660 3.702 14.152 1.00 0.00 H new ATOM 0 HE ARG A 29 5.974 3.501 13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.104 6.739 15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.775 7.197 15.418 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.118 4.095 14.411 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.476 5.705 15.043 1.00 0.00 H new ATOM 439 N ILE A 30 3.145 7.823 10.101 1.00 0.00 N ATOM 440 CA ILE A 30 3.920 9.015 9.782 1.00 0.00 C ATOM 441 C ILE A 30 4.330 9.760 11.047 1.00 0.00 C ATOM 442 O ILE A 30 3.572 9.822 12.015 1.00 0.00 O ATOM 443 CB ILE A 30 3.130 9.972 8.870 1.00 0.00 C ATOM 444 CG1 ILE A 30 3.982 11.193 8.515 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.836 10.400 9.546 1.00 0.00 C ATOM 446 CD1 ILE A 30 3.473 11.957 7.312 1.00 0.00 C ATOM 0 H ILE A 30 2.135 7.967 10.112 1.00 0.00 H new ATOM 0 HA ILE A 30 4.814 8.679 9.256 1.00 0.00 H new ATOM 0 HB ILE A 30 2.879 9.448 7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.016 11.864 9.373 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.005 10.869 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.289 11.076 8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.225 9.521 9.752 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.066 10.910 10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.125 12.809 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.465 11.301 6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.461 12.312 7.508 1.00 0.00 H new ATOM 458 N GLN A 31 5.533 10.324 11.033 1.00 0.00 N ATOM 459 CA GLN A 31 6.043 11.066 12.179 1.00 0.00 C ATOM 460 C GLN A 31 6.720 12.359 11.734 1.00 0.00 C ATOM 461 O GLN A 31 7.574 12.349 10.848 1.00 0.00 O ATOM 462 CB GLN A 31 7.029 10.207 12.972 1.00 0.00 C ATOM 463 CG GLN A 31 8.202 9.708 12.145 1.00 0.00 C ATOM 464 CD GLN A 31 8.877 8.496 12.759 1.00 0.00 C ATOM 465 OE1 GLN A 31 8.631 7.361 12.350 1.00 0.00 O ATOM 466 NE2 GLN A 31 9.732 8.732 13.747 1.00 0.00 N ATOM 0 H GLN A 31 6.173 10.281 10.240 1.00 0.00 H new ATOM 0 HA GLN A 31 5.198 11.322 12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.409 10.787 13.813 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.499 9.351 13.389 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.854 9.456 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.932 10.510 12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.905 9.689 14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.215 7.956 14.199 1.00 0.00 H new ATOM 475 N GLN A 32 6.333 13.468 12.355 1.00 0.00 N ATOM 476 CA GLN A 32 6.902 14.769 12.021 1.00 0.00 C ATOM 477 C GLN A 32 6.891 15.694 13.233 1.00 0.00 C ATOM 478 O GLN A 32 5.891 15.789 13.944 1.00 0.00 O ATOM 479 CB GLN A 32 6.127 15.407 10.868 1.00 0.00 C ATOM 480 CG GLN A 32 6.644 16.784 10.476 1.00 0.00 C ATOM 481 CD GLN A 32 5.678 17.894 10.842 1.00 0.00 C ATOM 482 OE1 GLN A 32 4.607 18.022 10.249 1.00 0.00 O ATOM 483 NE2 GLN A 32 6.053 18.706 11.823 1.00 0.00 N ATOM 0 H GLN A 32 5.628 13.492 13.092 1.00 0.00 H new ATOM 0 HA GLN A 32 7.936 14.618 11.712 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.176 14.749 10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.077 15.488 11.148 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.600 16.963 10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.828 16.807 9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.950 18.564 12.288 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.444 19.472 12.112 1.00 0.00 H new ATOM 492 N ARG A 33 8.009 16.375 13.462 1.00 0.00 N ATOM 493 CA ARG A 33 8.129 17.294 14.588 1.00 0.00 C ATOM 494 C ARG A 33 9.430 18.086 14.507 1.00 0.00 C ATOM 495 O ARG A 33 10.135 18.242 15.504 1.00 0.00 O ATOM 496 CB ARG A 33 8.068 16.524 15.908 1.00 0.00 C ATOM 497 CG ARG A 33 9.127 15.441 16.032 1.00 0.00 C ATOM 498 CD ARG A 33 8.639 14.278 16.882 1.00 0.00 C ATOM 499 NE ARG A 33 9.662 13.247 17.036 1.00 0.00 N ATOM 500 CZ ARG A 33 9.634 12.324 17.991 1.00 0.00 C ATOM 501 NH1 ARG A 33 8.644 12.304 18.872 1.00 0.00 N ATOM 502 NH2 ARG A 33 10.602 11.417 18.065 1.00 0.00 N ATOM 0 H ARG A 33 8.846 16.308 12.882 1.00 0.00 H new ATOM 0 HA ARG A 33 7.295 17.995 14.545 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.181 17.226 16.734 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.082 16.069 16.008 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.397 15.080 15.040 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.030 15.862 16.474 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.344 14.646 17.865 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.751 13.842 16.425 1.00 0.00 H new ATOM 0 HE ARG A 33 10.439 13.235 16.375 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.899 12.999 18.818 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.627 11.593 19.604 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.366 11.430 17.389 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.581 10.708 18.798 1.00 0.00 H new ATOM 516 N ASN A 34 9.741 18.584 13.316 1.00 0.00 N ATOM 517 CA ASN A 34 10.959 19.359 13.106 1.00 0.00 C ATOM 518 C ASN A 34 10.670 20.614 12.286 1.00 0.00 C ATOM 519 O ASN A 34 10.955 21.729 12.719 1.00 0.00 O ATOM 520 CB ASN A 34 12.015 18.508 12.400 1.00 0.00 C ATOM 521 CG ASN A 34 13.276 18.349 13.226 1.00 0.00 C ATOM 522 OD1 ASN A 34 13.388 17.433 14.040 1.00 0.00 O ATOM 523 ND2 ASN A 34 14.235 19.245 13.020 1.00 0.00 N ATOM 0 H ASN A 34 9.167 18.465 12.481 1.00 0.00 H new ATOM 0 HA ASN A 34 11.340 19.662 14.081 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.599 17.524 12.184 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.266 18.966 11.443 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.107 19.189 13.547 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.100 19.988 12.335 1.00 0.00 H new ATOM 530 N GLY A 35 10.100 20.421 11.100 1.00 0.00 N ATOM 531 CA GLY A 35 9.782 21.545 10.239 1.00 0.00 C ATOM 532 C GLY A 35 9.918 21.206 8.769 1.00 0.00 C ATOM 533 O GLY A 35 8.943 21.264 8.018 1.00 0.00 O ATOM 0 H GLY A 35 9.853 19.507 10.721 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.763 21.875 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.441 22.380 10.479 1.00 0.00 H new ATOM 537 N ARG A 36 11.130 20.852 8.353 1.00 0.00 N ATOM 538 CA ARG A 36 11.390 20.504 6.962 1.00 0.00 C ATOM 539 C ARG A 36 11.554 18.996 6.799 1.00 0.00 C ATOM 540 O ARG A 36 10.793 18.352 6.077 1.00 0.00 O ATOM 541 CB ARG A 36 12.647 21.221 6.462 1.00 0.00 C ATOM 542 CG ARG A 36 12.790 21.215 4.949 1.00 0.00 C ATOM 543 CD ARG A 36 14.020 21.989 4.503 1.00 0.00 C ATOM 544 NE ARG A 36 13.689 23.028 3.530 1.00 0.00 N ATOM 545 CZ ARG A 36 14.553 23.949 3.116 1.00 0.00 C ATOM 546 NH1 ARG A 36 15.792 23.958 3.586 1.00 0.00 N ATOM 547 NH2 ARG A 36 14.178 24.862 2.229 1.00 0.00 N ATOM 0 H ARG A 36 11.948 20.799 8.961 1.00 0.00 H new ATOM 0 HA ARG A 36 10.535 20.825 6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.630 22.253 6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.524 20.748 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.857 20.187 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.900 21.652 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.497 22.444 5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.743 21.300 4.066 1.00 0.00 H new ATOM 0 HE ARG A 36 12.743 23.047 3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.084 23.257 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.453 24.666 3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.226 24.858 1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.842 25.568 1.912 1.00 0.00 H new ATOM 561 N LYS A 37 12.554 18.438 7.476 1.00 0.00 N ATOM 562 CA LYS A 37 12.818 17.006 7.406 1.00 0.00 C ATOM 563 C LYS A 37 11.681 16.212 8.042 1.00 0.00 C ATOM 564 O LYS A 37 11.279 16.481 9.175 1.00 0.00 O ATOM 565 CB LYS A 37 14.137 16.676 8.109 1.00 0.00 C ATOM 566 CG LYS A 37 14.733 15.344 7.689 1.00 0.00 C ATOM 567 CD LYS A 37 15.382 14.628 8.862 1.00 0.00 C ATOM 568 CE LYS A 37 16.753 14.085 8.495 1.00 0.00 C ATOM 569 NZ LYS A 37 17.224 13.062 9.468 1.00 0.00 N ATOM 0 H LYS A 37 13.194 18.956 8.078 1.00 0.00 H new ATOM 0 HA LYS A 37 12.891 16.726 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.857 17.468 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.973 16.667 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.952 14.713 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.474 15.507 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.475 15.316 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.741 13.809 9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.715 13.647 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.470 14.905 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.162 12.717 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.285 13.486 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.554 12.267 9.487 1.00 0.00 H new ATOM 583 N THR A 38 11.166 15.232 7.306 1.00 0.00 N ATOM 584 CA THR A 38 10.075 14.398 7.797 1.00 0.00 C ATOM 585 C THR A 38 10.388 12.918 7.610 1.00 0.00 C ATOM 586 O THR A 38 11.174 12.545 6.739 1.00 0.00 O ATOM 587 CB THR A 38 8.752 14.728 7.081 1.00 0.00 C ATOM 588 OG1 THR A 38 8.840 14.369 5.700 1.00 0.00 O ATOM 589 CG2 THR A 38 8.421 16.208 7.207 1.00 0.00 C ATOM 0 H THR A 38 11.487 14.996 6.367 1.00 0.00 H new ATOM 0 HA THR A 38 9.966 14.611 8.861 1.00 0.00 H new ATOM 0 HB THR A 38 7.956 14.154 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.182 14.882 5.186 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.482 16.416 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.324 16.471 8.260 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.219 16.799 6.758 1.00 0.00 H new ATOM 597 N LEU A 39 9.767 12.080 8.432 1.00 0.00 N ATOM 598 CA LEU A 39 9.977 10.638 8.356 1.00 0.00 C ATOM 599 C LEU A 39 8.648 9.898 8.254 1.00 0.00 C ATOM 600 O LEU A 39 7.603 10.419 8.643 1.00 0.00 O ATOM 601 CB LEU A 39 10.753 10.151 9.581 1.00 0.00 C ATOM 602 CG LEU A 39 12.050 10.898 9.895 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.221 11.062 11.396 1.00 0.00 C ATOM 604 CD2 LEU A 39 13.245 10.167 9.298 1.00 0.00 C ATOM 0 H LEU A 39 9.114 12.373 9.159 1.00 0.00 H new ATOM 0 HA LEU A 39 10.558 10.427 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.099 10.218 10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.990 9.096 9.441 1.00 0.00 H new ATOM 0 HG LEU A 39 11.993 11.889 9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.149 11.596 11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.381 11.628 11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.256 10.080 11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.159 10.713 9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.304 9.163 9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.128 10.101 8.216 1.00 0.00 H new ATOM 616 N THR A 40 8.695 8.677 7.729 1.00 0.00 N ATOM 617 CA THR A 40 7.494 7.864 7.577 1.00 0.00 C ATOM 618 C THR A 40 7.833 6.378 7.581 1.00 0.00 C ATOM 619 O THR A 40 8.809 5.951 6.963 1.00 0.00 O ATOM 620 CB THR A 40 6.745 8.205 6.275 1.00 0.00 C ATOM 621 OG1 THR A 40 7.234 9.440 5.738 1.00 0.00 O ATOM 622 CG2 THR A 40 5.249 8.312 6.523 1.00 0.00 C ATOM 0 H THR A 40 9.551 8.230 7.402 1.00 0.00 H new ATOM 0 HA THR A 40 6.850 8.090 8.427 1.00 0.00 H new ATOM 0 HB THR A 40 6.922 7.402 5.559 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.754 9.649 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.742 8.554 5.589 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.875 7.362 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.057 9.097 7.254 1.00 0.00 H new ATOM 630 N THR A 41 7.020 5.592 8.280 1.00 0.00 N ATOM 631 CA THR A 41 7.234 4.153 8.366 1.00 0.00 C ATOM 632 C THR A 41 6.102 3.388 7.688 1.00 0.00 C ATOM 633 O THR A 41 4.958 3.842 7.667 1.00 0.00 O ATOM 634 CB THR A 41 7.351 3.687 9.829 1.00 0.00 C ATOM 635 OG1 THR A 41 6.359 4.340 10.630 1.00 0.00 O ATOM 636 CG2 THR A 41 8.735 3.984 10.383 1.00 0.00 C ATOM 0 H THR A 41 6.207 5.929 8.795 1.00 0.00 H new ATOM 0 HA THR A 41 8.171 3.942 7.851 1.00 0.00 H new ATOM 0 HB THR A 41 7.191 2.609 9.859 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.262 5.270 10.336 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.793 3.646 11.418 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.485 3.462 9.788 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.921 5.057 10.341 1.00 0.00 H new ATOM 644 N VAL A 42 6.428 2.224 7.136 1.00 0.00 N ATOM 645 CA VAL A 42 5.437 1.395 6.460 1.00 0.00 C ATOM 646 C VAL A 42 5.719 -0.087 6.680 1.00 0.00 C ATOM 647 O VAL A 42 6.872 -0.498 6.804 1.00 0.00 O ATOM 648 CB VAL A 42 5.404 1.682 4.947 1.00 0.00 C ATOM 649 CG1 VAL A 42 6.745 1.351 4.311 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.283 0.898 4.280 1.00 0.00 C ATOM 0 H VAL A 42 7.370 1.834 7.143 1.00 0.00 H new ATOM 0 HA VAL A 42 4.467 1.645 6.891 1.00 0.00 H new ATOM 0 HB VAL A 42 5.211 2.745 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.702 1.560 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.525 1.959 4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.970 0.296 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.275 1.113 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.443 -0.169 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.327 1.188 4.716 1.00 0.00 H new ATOM 660 N GLN A 43 4.657 -0.886 6.725 1.00 0.00 N ATOM 661 CA GLN A 43 4.791 -2.324 6.930 1.00 0.00 C ATOM 662 C GLN A 43 3.826 -3.092 6.034 1.00 0.00 C ATOM 663 O GLN A 43 2.952 -2.506 5.399 1.00 0.00 O ATOM 664 CB GLN A 43 4.535 -2.677 8.396 1.00 0.00 C ATOM 665 CG GLN A 43 5.766 -3.199 9.120 1.00 0.00 C ATOM 666 CD GLN A 43 5.419 -4.132 10.263 1.00 0.00 C ATOM 667 OE1 GLN A 43 5.884 -5.271 10.313 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.598 -3.653 11.191 1.00 0.00 N ATOM 0 H GLN A 43 3.695 -0.562 6.622 1.00 0.00 H new ATOM 0 HA GLN A 43 5.809 -2.611 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.166 -1.792 8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.747 -3.429 8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.406 -3.723 8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.341 -2.357 9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.236 -2.703 11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.330 -4.235 11.984 1.00 0.00 H new ATOM 677 N GLY A 44 3.993 -4.411 5.987 1.00 0.00 N ATOM 678 CA GLY A 44 3.131 -5.240 5.166 1.00 0.00 C ATOM 679 C GLY A 44 3.819 -5.718 3.903 1.00 0.00 C ATOM 680 O GLY A 44 3.178 -6.275 3.010 1.00 0.00 O ATOM 0 H GLY A 44 4.711 -4.920 6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.802 -6.103 5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.237 -4.676 4.898 1.00 0.00 H new ATOM 684 N VAL A 45 5.128 -5.501 3.825 1.00 0.00 N ATOM 685 CA VAL A 45 5.903 -5.914 2.661 1.00 0.00 C ATOM 686 C VAL A 45 5.947 -7.433 2.541 1.00 0.00 C ATOM 687 O VAL A 45 6.200 -8.150 3.510 1.00 0.00 O ATOM 688 CB VAL A 45 7.343 -5.372 2.726 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.110 -5.740 1.465 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.337 -3.866 2.935 1.00 0.00 C ATOM 0 H VAL A 45 5.674 -5.042 4.554 1.00 0.00 H new ATOM 0 HA VAL A 45 5.406 -5.498 1.785 1.00 0.00 H new ATOM 0 HB VAL A 45 7.847 -5.832 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.125 -5.348 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.145 -6.825 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.610 -5.311 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.363 -3.501 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.816 -3.386 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.828 -3.630 3.870 1.00 0.00 H new ATOM 700 N PRO A 46 5.696 -7.937 1.325 1.00 0.00 N ATOM 701 CA PRO A 46 5.703 -9.378 1.049 1.00 0.00 C ATOM 702 C PRO A 46 7.105 -9.974 1.115 1.00 0.00 C ATOM 703 O PRO A 46 8.053 -9.312 1.538 1.00 0.00 O ATOM 704 CB PRO A 46 5.151 -9.469 -0.377 1.00 0.00 C ATOM 705 CG PRO A 46 5.470 -8.149 -0.990 1.00 0.00 C ATOM 706 CD PRO A 46 5.389 -7.143 0.124 1.00 0.00 C ATOM 0 HA PRO A 46 5.121 -9.936 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.615 -10.285 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.077 -9.656 -0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.464 -8.157 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.765 -7.908 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.104 -6.332 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.400 -6.689 0.184 1.00 0.00 H new ATOM 714 N GLU A 47 7.230 -11.229 0.693 1.00 0.00 N ATOM 715 CA GLU A 47 8.519 -11.914 0.706 1.00 0.00 C ATOM 716 C GLU A 47 9.298 -11.629 -0.574 1.00 0.00 C ATOM 717 O GLU A 47 10.528 -11.571 -0.563 1.00 0.00 O ATOM 718 CB GLU A 47 8.317 -13.422 0.870 1.00 0.00 C ATOM 719 CG GLU A 47 9.454 -14.112 1.603 1.00 0.00 C ATOM 720 CD GLU A 47 8.986 -15.299 2.421 1.00 0.00 C ATOM 721 OE1 GLU A 47 8.639 -16.335 1.816 1.00 0.00 O ATOM 722 OE2 GLU A 47 8.965 -15.192 3.665 1.00 0.00 O ATOM 0 H GLU A 47 6.456 -11.791 0.339 1.00 0.00 H new ATOM 0 HA GLU A 47 9.095 -11.538 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.387 -13.599 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.204 -13.874 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.198 -14.445 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.946 -13.395 2.260 1.00 0.00 H new ATOM 729 N GLU A 48 8.574 -11.452 -1.675 1.00 0.00 N ATOM 730 CA GLU A 48 9.199 -11.176 -2.963 1.00 0.00 C ATOM 731 C GLU A 48 9.904 -9.822 -2.946 1.00 0.00 C ATOM 732 O GLU A 48 10.679 -9.502 -3.847 1.00 0.00 O ATOM 733 CB GLU A 48 8.152 -11.204 -4.078 1.00 0.00 C ATOM 734 CG GLU A 48 8.409 -12.275 -5.126 1.00 0.00 C ATOM 735 CD GLU A 48 7.262 -12.416 -6.107 1.00 0.00 C ATOM 736 OE1 GLU A 48 7.197 -11.613 -7.062 1.00 0.00 O ATOM 737 OE2 GLU A 48 6.430 -13.330 -5.924 1.00 0.00 O ATOM 0 H GLU A 48 7.555 -11.495 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 48 9.942 -11.951 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.168 -11.367 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.126 -10.229 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.321 -12.033 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.578 -13.231 -4.630 1.00 0.00 H new ATOM 744 N TYR A 49 9.627 -9.031 -1.915 1.00 0.00 N ATOM 745 CA TYR A 49 10.232 -7.711 -1.781 1.00 0.00 C ATOM 746 C TYR A 49 10.941 -7.570 -0.437 1.00 0.00 C ATOM 747 O TYR A 49 10.302 -7.387 0.598 1.00 0.00 O ATOM 748 CB TYR A 49 9.165 -6.622 -1.924 1.00 0.00 C ATOM 749 CG TYR A 49 9.600 -5.461 -2.789 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.281 -5.673 -3.981 1.00 0.00 C ATOM 751 CD2 TYR A 49 9.325 -4.151 -2.415 1.00 0.00 C ATOM 752 CE1 TYR A 49 10.681 -4.615 -4.774 1.00 0.00 C ATOM 753 CE2 TYR A 49 9.718 -3.087 -3.204 1.00 0.00 C ATOM 754 CZ TYR A 49 10.396 -3.323 -4.382 1.00 0.00 C ATOM 755 OH TYR A 49 10.790 -2.267 -5.169 1.00 0.00 O ATOM 0 H TYR A 49 8.988 -9.281 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 49 10.970 -7.595 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.262 -7.062 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.903 -6.249 -0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.502 -6.683 -4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.796 -3.962 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.214 -4.798 -5.695 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.495 -2.075 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 49 10.511 -1.426 -4.751 1.00 0.00 H new ATOM 765 N ASP A 50 12.266 -7.657 -0.465 1.00 0.00 N ATOM 766 CA ASP A 50 13.066 -7.539 0.749 1.00 0.00 C ATOM 767 C ASP A 50 13.415 -6.079 1.030 1.00 0.00 C ATOM 768 O ASP A 50 13.154 -5.198 0.208 1.00 0.00 O ATOM 769 CB ASP A 50 14.346 -8.366 0.626 1.00 0.00 C ATOM 770 CG ASP A 50 14.206 -9.744 1.244 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.861 -9.824 2.441 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.440 -10.741 0.530 1.00 0.00 O ATOM 0 H ASP A 50 12.809 -7.809 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 50 12.475 -7.921 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.610 -8.468 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.166 -7.835 1.110 1.00 0.00 H new ATOM 777 N LEU A 51 14.004 -5.831 2.193 1.00 0.00 N ATOM 778 CA LEU A 51 14.387 -4.478 2.583 1.00 0.00 C ATOM 779 C LEU A 51 15.499 -3.948 1.685 1.00 0.00 C ATOM 780 O LEU A 51 15.668 -2.737 1.537 1.00 0.00 O ATOM 781 CB LEU A 51 14.842 -4.457 4.044 1.00 0.00 C ATOM 782 CG LEU A 51 13.730 -4.480 5.093 1.00 0.00 C ATOM 783 CD1 LEU A 51 12.787 -3.304 4.898 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.966 -5.796 5.033 1.00 0.00 C ATOM 0 H LEU A 51 14.227 -6.548 2.883 1.00 0.00 H new ATOM 0 HA LEU A 51 13.516 -3.833 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.492 -5.315 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.446 -3.564 4.203 1.00 0.00 H new ATOM 0 HG LEU A 51 14.186 -4.393 6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.002 -3.338 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.343 -2.372 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.338 -3.358 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.179 -5.794 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.522 -5.914 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.650 -6.623 5.225 1.00 0.00 H new ATOM 796 N LYS A 52 16.254 -4.861 1.085 1.00 0.00 N ATOM 797 CA LYS A 52 17.348 -4.486 0.196 1.00 0.00 C ATOM 798 C LYS A 52 16.818 -4.048 -1.166 1.00 0.00 C ATOM 799 O LYS A 52 17.420 -3.210 -1.836 1.00 0.00 O ATOM 800 CB LYS A 52 18.317 -5.658 0.025 1.00 0.00 C ATOM 801 CG LYS A 52 19.535 -5.321 -0.818 1.00 0.00 C ATOM 802 CD LYS A 52 20.730 -6.180 -0.439 1.00 0.00 C ATOM 803 CE LYS A 52 20.843 -7.404 -1.335 1.00 0.00 C ATOM 804 NZ LYS A 52 21.920 -8.328 -0.880 1.00 0.00 N ATOM 0 H LYS A 52 16.129 -5.867 1.198 1.00 0.00 H new ATOM 0 HA LYS A 52 17.877 -3.647 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.647 -5.992 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.787 -6.493 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.301 -5.467 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.787 -4.268 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.643 -5.588 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.638 -6.496 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.891 -7.934 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.045 -7.087 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.965 -9.149 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.833 -7.830 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.715 -8.651 0.087 1.00 0.00 H new ATOM 818 N ARG A 53 15.687 -4.619 -1.567 1.00 0.00 N ATOM 819 CA ARG A 53 15.077 -4.287 -2.850 1.00 0.00 C ATOM 820 C ARG A 53 14.365 -2.940 -2.779 1.00 0.00 C ATOM 821 O ARG A 53 14.328 -2.195 -3.759 1.00 0.00 O ATOM 822 CB ARG A 53 14.088 -5.378 -3.265 1.00 0.00 C ATOM 823 CG ARG A 53 13.777 -5.383 -4.752 1.00 0.00 C ATOM 824 CD ARG A 53 14.956 -5.894 -5.565 1.00 0.00 C ATOM 825 NE ARG A 53 15.115 -5.164 -6.820 1.00 0.00 N ATOM 826 CZ ARG A 53 15.965 -5.520 -7.775 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.731 -6.592 -7.621 1.00 0.00 N ATOM 828 NH2 ARG A 53 16.053 -4.803 -8.888 1.00 0.00 N ATOM 0 H ARG A 53 15.175 -5.313 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 53 15.869 -4.221 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.493 -6.350 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.160 -5.246 -2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.905 -6.009 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.521 -4.374 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.868 -5.804 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.817 -6.954 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 53 14.541 -4.335 -6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.668 -7.146 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.383 -6.863 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.467 -3.977 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.707 -5.078 -9.621 1.00 0.00 H new ATOM 842 N ILE A 54 13.803 -2.633 -1.615 1.00 0.00 N ATOM 843 CA ILE A 54 13.093 -1.374 -1.418 1.00 0.00 C ATOM 844 C ILE A 54 14.067 -0.227 -1.179 1.00 0.00 C ATOM 845 O ILE A 54 13.797 0.918 -1.545 1.00 0.00 O ATOM 846 CB ILE A 54 12.115 -1.461 -0.231 1.00 0.00 C ATOM 847 CG1 ILE A 54 12.886 -1.560 1.087 1.00 0.00 C ATOM 848 CG2 ILE A 54 11.184 -2.652 -0.396 1.00 0.00 C ATOM 849 CD1 ILE A 54 11.995 -1.625 2.306 1.00 0.00 C ATOM 0 H ILE A 54 13.825 -3.238 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 54 12.528 -1.182 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 54 11.511 -0.554 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.519 -2.447 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.548 -0.699 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.500 -2.699 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.613 -2.543 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.771 -3.569 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.610 -1.694 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.380 -0.726 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.351 -2.502 2.240 1.00 0.00 H new ATOM 861 N LEU A 55 15.202 -0.539 -0.562 1.00 0.00 N ATOM 862 CA LEU A 55 16.218 0.468 -0.274 1.00 0.00 C ATOM 863 C LEU A 55 17.044 0.777 -1.518 1.00 0.00 C ATOM 864 O LEU A 55 17.538 1.893 -1.688 1.00 0.00 O ATOM 865 CB LEU A 55 17.134 -0.012 0.853 1.00 0.00 C ATOM 866 CG LEU A 55 18.413 0.797 1.068 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.081 2.215 1.505 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.309 0.116 2.092 1.00 0.00 C ATOM 0 H LEU A 55 15.442 -1.481 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 55 15.712 1.381 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.565 -0.009 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.412 -1.047 0.653 1.00 0.00 H new ATOM 0 HG LEU A 55 18.951 0.848 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.004 2.776 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.480 2.701 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.520 2.186 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.215 0.706 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.779 0.033 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.576 -0.880 1.737 1.00 0.00 H new ATOM 880 N LYS A 56 17.189 -0.215 -2.390 1.00 0.00 N ATOM 881 CA LYS A 56 17.952 -0.048 -3.621 1.00 0.00 C ATOM 882 C LYS A 56 17.125 0.676 -4.679 1.00 0.00 C ATOM 883 O LYS A 56 17.647 1.497 -5.433 1.00 0.00 O ATOM 884 CB LYS A 56 18.401 -1.411 -4.154 1.00 0.00 C ATOM 885 CG LYS A 56 19.317 -1.319 -5.362 1.00 0.00 C ATOM 886 CD LYS A 56 20.735 -1.751 -5.022 1.00 0.00 C ATOM 887 CE LYS A 56 21.759 -1.035 -5.888 1.00 0.00 C ATOM 888 NZ LYS A 56 23.090 -1.703 -5.840 1.00 0.00 N ATOM 0 H LYS A 56 16.787 -1.144 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 56 18.831 0.556 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.915 -1.951 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.521 -1.996 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 56 18.927 -1.946 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.327 -0.295 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.937 -1.544 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.831 -2.828 -5.159 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.405 -1.004 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.859 -0.002 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.760 -1.185 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.440 -1.710 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.000 -2.681 -6.183 1.00 0.00 H new ATOM 902 N VAL A 57 15.833 0.368 -4.727 1.00 0.00 N ATOM 903 CA VAL A 57 14.934 0.992 -5.690 1.00 0.00 C ATOM 904 C VAL A 57 14.581 2.415 -5.271 1.00 0.00 C ATOM 905 O VAL A 57 14.496 3.317 -6.106 1.00 0.00 O ATOM 906 CB VAL A 57 13.636 0.180 -5.855 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.644 0.929 -6.733 1.00 0.00 C ATOM 908 CG2 VAL A 57 13.937 -1.196 -6.429 1.00 0.00 C ATOM 0 H VAL A 57 15.386 -0.310 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 57 15.461 1.017 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 57 13.185 0.047 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.733 0.339 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.404 1.888 -6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.083 1.097 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.008 -1.756 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.413 -1.088 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.606 -1.732 -5.756 1.00 0.00 H new ATOM 918 N LEU A 58 14.377 2.609 -3.974 1.00 0.00 N ATOM 919 CA LEU A 58 14.033 3.924 -3.442 1.00 0.00 C ATOM 920 C LEU A 58 15.220 4.877 -3.537 1.00 0.00 C ATOM 921 O LEU A 58 15.069 6.038 -3.916 1.00 0.00 O ATOM 922 CB LEU A 58 13.577 3.804 -1.987 1.00 0.00 C ATOM 923 CG LEU A 58 12.159 3.276 -1.769 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.862 3.140 -0.284 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.140 4.188 -2.438 1.00 0.00 C ATOM 0 H LEU A 58 14.443 1.874 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 58 13.217 4.328 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.272 3.148 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.653 4.787 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 58 12.086 2.289 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.848 2.763 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.571 2.445 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.954 4.114 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.137 3.796 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.213 5.189 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.339 4.233 -3.509 1.00 0.00 H new ATOM 937 N LYS A 59 16.402 4.378 -3.193 1.00 0.00 N ATOM 938 CA LYS A 59 17.617 5.183 -3.243 1.00 0.00 C ATOM 939 C LYS A 59 18.005 5.493 -4.686 1.00 0.00 C ATOM 940 O LYS A 59 18.501 6.580 -4.987 1.00 0.00 O ATOM 941 CB LYS A 59 18.765 4.455 -2.541 1.00 0.00 C ATOM 942 CG LYS A 59 18.663 4.478 -1.026 1.00 0.00 C ATOM 943 CD LYS A 59 19.633 5.477 -0.417 1.00 0.00 C ATOM 944 CE LYS A 59 19.101 6.899 -0.509 1.00 0.00 C ATOM 945 NZ LYS A 59 20.022 7.787 -1.269 1.00 0.00 N ATOM 0 H LYS A 59 16.545 3.419 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 59 17.422 6.123 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.788 3.419 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.709 4.910 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.645 4.733 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.869 3.483 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.812 5.221 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.593 5.413 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.124 6.891 -0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.957 7.299 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.843 8.778 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.007 7.541 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.860 7.663 -2.289 1.00 0.00 H new ATOM 959 N LYS A 60 17.777 4.532 -5.575 1.00 0.00 N ATOM 960 CA LYS A 60 18.100 4.702 -6.987 1.00 0.00 C ATOM 961 C LYS A 60 17.032 5.532 -7.692 1.00 0.00 C ATOM 962 O LYS A 60 17.311 6.209 -8.682 1.00 0.00 O ATOM 963 CB LYS A 60 18.234 3.339 -7.669 1.00 0.00 C ATOM 964 CG LYS A 60 19.527 2.617 -7.332 1.00 0.00 C ATOM 965 CD LYS A 60 20.695 3.159 -8.139 1.00 0.00 C ATOM 966 CE LYS A 60 21.809 3.667 -7.235 1.00 0.00 C ATOM 967 NZ LYS A 60 23.151 3.482 -7.851 1.00 0.00 N ATOM 0 H LYS A 60 17.369 3.626 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 60 19.051 5.230 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 60 17.391 2.712 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.174 3.474 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.738 2.724 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.411 1.551 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 60 21.083 2.376 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 60 20.350 3.968 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 60 21.650 4.724 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 60 21.771 3.140 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 23.882 3.840 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 23.314 2.471 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 23.196 4.005 -8.749 1.00 0.00 H new ATOM 981 N ASP A 61 15.808 5.477 -7.177 1.00 0.00 N ATOM 982 CA ASP A 61 14.699 6.225 -7.756 1.00 0.00 C ATOM 983 C ASP A 61 14.869 7.722 -7.516 1.00 0.00 C ATOM 984 O ASP A 61 15.081 8.492 -8.452 1.00 0.00 O ATOM 985 CB ASP A 61 13.371 5.747 -7.167 1.00 0.00 C ATOM 986 CG ASP A 61 12.194 6.568 -7.657 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.142 6.870 -8.867 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.323 6.907 -6.827 1.00 0.00 O ATOM 0 H ASP A 61 15.559 4.921 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 61 14.694 6.047 -8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.215 4.701 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.419 5.799 -6.079 1.00 0.00 H new ATOM 993 N PHE A 62 14.773 8.128 -6.254 1.00 0.00 N ATOM 994 CA PHE A 62 14.914 9.532 -5.890 1.00 0.00 C ATOM 995 C PHE A 62 15.701 9.682 -4.592 1.00 0.00 C ATOM 996 O PHE A 62 15.433 10.576 -3.790 1.00 0.00 O ATOM 997 CB PHE A 62 13.537 10.183 -5.742 1.00 0.00 C ATOM 998 CG PHE A 62 12.891 10.527 -7.054 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.532 11.358 -7.960 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.646 10.018 -7.384 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.941 11.675 -9.168 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.049 10.331 -8.590 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.697 11.160 -9.484 1.00 0.00 C ATOM 0 H PHE A 62 14.598 7.504 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 62 15.463 10.034 -6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.883 9.508 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.635 11.090 -5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.504 11.762 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.135 9.368 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.450 12.324 -9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.077 9.928 -8.833 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.233 11.406 -10.428 1.00 0.00 H new ATOM 1013 N ALA A 63 16.674 8.798 -4.391 1.00 0.00 N ATOM 1014 CA ALA A 63 17.501 8.832 -3.192 1.00 0.00 C ATOM 1015 C ALA A 63 16.641 8.882 -1.934 1.00 0.00 C ATOM 1016 O ALA A 63 16.724 9.829 -1.151 1.00 0.00 O ATOM 1017 CB ALA A 63 18.446 10.023 -3.236 1.00 0.00 C ATOM 0 H ALA A 63 16.908 8.050 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 63 18.091 7.916 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 63 19.058 10.036 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.091 9.943 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.867 10.945 -3.295 1.00 0.00 H new ATOM 1023 N CYS A 64 15.817 7.857 -1.744 1.00 0.00 N ATOM 1024 CA CYS A 64 14.941 7.785 -0.581 1.00 0.00 C ATOM 1025 C CYS A 64 15.513 6.842 0.473 1.00 0.00 C ATOM 1026 O CYS A 64 15.285 5.634 0.429 1.00 0.00 O ATOM 1027 CB CYS A 64 13.544 7.320 -0.995 1.00 0.00 C ATOM 1028 SG CYS A 64 12.254 8.564 -0.769 1.00 0.00 S ATOM 0 H CYS A 64 15.738 7.064 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 64 14.870 8.783 -0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.568 7.023 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.283 6.433 -0.419 1.00 0.00 H new ATOM 0 HG CYS A 64 11.110 8.077 -1.149 1.00 0.00 H new ATOM 1034 N ASN A 65 16.259 7.402 1.418 1.00 0.00 N ATOM 1035 CA ASN A 65 16.867 6.611 2.483 1.00 0.00 C ATOM 1036 C ASN A 65 15.828 5.722 3.159 1.00 0.00 C ATOM 1037 O ASN A 65 15.022 6.191 3.962 1.00 0.00 O ATOM 1038 CB ASN A 65 17.522 7.527 3.517 1.00 0.00 C ATOM 1039 CG ASN A 65 19.036 7.450 3.482 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.693 8.232 2.795 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.598 6.503 4.224 1.00 0.00 N ATOM 0 H ASN A 65 16.458 8.401 1.469 1.00 0.00 H new ATOM 0 HA ASN A 65 17.631 5.974 2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.209 8.556 3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.170 7.256 4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.613 6.402 4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.015 5.876 4.778 1.00 0.00 H new ATOM 1048 N GLY A 66 15.853 4.434 2.830 1.00 0.00 N ATOM 1049 CA GLY A 66 14.910 3.500 3.415 1.00 0.00 C ATOM 1050 C GLY A 66 15.511 2.710 4.561 1.00 0.00 C ATOM 1051 O GLY A 66 16.163 1.689 4.344 1.00 0.00 O ATOM 0 H GLY A 66 16.510 4.021 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.037 4.046 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.562 2.811 2.646 1.00 0.00 H new ATOM 1055 N ASN A 67 15.293 3.183 5.783 1.00 0.00 N ATOM 1056 CA ASN A 67 15.820 2.515 6.967 1.00 0.00 C ATOM 1057 C ASN A 67 14.939 1.334 7.363 1.00 0.00 C ATOM 1058 O ASN A 67 13.845 1.154 6.825 1.00 0.00 O ATOM 1059 CB ASN A 67 15.923 3.503 8.132 1.00 0.00 C ATOM 1060 CG ASN A 67 16.250 4.909 7.669 1.00 0.00 C ATOM 1061 OD1 ASN A 67 17.057 5.103 6.761 1.00 0.00 O ATOM 1062 ND2 ASN A 67 15.623 5.897 8.296 1.00 0.00 N ATOM 0 H ASN A 67 14.755 4.027 5.980 1.00 0.00 H new ATOM 0 HA ASN A 67 16.815 2.139 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.981 3.514 8.680 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.692 3.164 8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.803 6.865 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.961 5.688 9.044 1.00 0.00 H new ATOM 1069 N ILE A 68 15.421 0.533 8.306 1.00 0.00 N ATOM 1070 CA ILE A 68 14.677 -0.629 8.776 1.00 0.00 C ATOM 1071 C ILE A 68 14.696 -0.715 10.298 1.00 0.00 C ATOM 1072 O ILE A 68 15.735 -0.521 10.929 1.00 0.00 O ATOM 1073 CB ILE A 68 15.245 -1.935 8.190 1.00 0.00 C ATOM 1074 CG1 ILE A 68 15.443 -1.800 6.680 1.00 0.00 C ATOM 1075 CG2 ILE A 68 14.322 -3.103 8.507 1.00 0.00 C ATOM 1076 CD1 ILE A 68 16.808 -1.278 6.294 1.00 0.00 C ATOM 0 H ILE A 68 16.324 0.667 8.760 1.00 0.00 H new ATOM 0 HA ILE A 68 13.649 -0.505 8.435 1.00 0.00 H new ATOM 0 HB ILE A 68 16.215 -2.129 8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.290 -2.773 6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.681 -1.131 6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.737 -4.019 8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.228 -3.210 9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.339 -2.918 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 68 16.877 -1.208 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 68 16.957 -0.291 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 68 17.575 -1.958 6.663 1.00 0.00 H new ATOM 1088 N VAL A 69 13.540 -1.013 10.883 1.00 0.00 N ATOM 1089 CA VAL A 69 13.423 -1.130 12.331 1.00 0.00 C ATOM 1090 C VAL A 69 12.679 -2.401 12.723 1.00 0.00 C ATOM 1091 O VAL A 69 12.083 -3.070 11.878 1.00 0.00 O ATOM 1092 CB VAL A 69 12.694 0.085 12.935 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.192 0.362 14.346 1.00 0.00 C ATOM 1094 CG2 VAL A 69 12.873 1.309 12.049 1.00 0.00 C ATOM 0 H VAL A 69 12.671 -1.178 10.375 1.00 0.00 H new ATOM 0 HA VAL A 69 14.438 -1.170 12.727 1.00 0.00 H new ATOM 0 HB VAL A 69 11.630 -0.144 12.990 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.665 1.224 14.755 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.007 -0.509 14.975 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.262 0.570 14.320 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.351 2.158 12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 69 13.934 1.542 11.960 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.462 1.106 11.060 1.00 0.00 H new ATOM 1104 N LYS A 70 12.717 -2.730 14.009 1.00 0.00 N ATOM 1105 CA LYS A 70 12.045 -3.921 14.516 1.00 0.00 C ATOM 1106 C LYS A 70 11.275 -3.610 15.794 1.00 0.00 C ATOM 1107 O LYS A 70 11.869 -3.333 16.836 1.00 0.00 O ATOM 1108 CB LYS A 70 13.064 -5.033 14.779 1.00 0.00 C ATOM 1109 CG LYS A 70 12.439 -6.320 15.290 1.00 0.00 C ATOM 1110 CD LYS A 70 13.333 -7.007 16.309 1.00 0.00 C ATOM 1111 CE LYS A 70 14.381 -7.880 15.634 1.00 0.00 C ATOM 1112 NZ LYS A 70 15.477 -8.254 16.568 1.00 0.00 N ATOM 0 H LYS A 70 13.207 -2.188 14.721 1.00 0.00 H new ATOM 0 HA LYS A 70 11.336 -4.257 13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.607 -5.243 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.795 -4.680 15.506 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.472 -6.101 15.742 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.255 -6.994 14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.826 -6.256 16.926 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.724 -7.618 16.976 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.908 -8.783 15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.799 -7.350 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.170 -8.848 16.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.946 -7.393 16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.083 -8.782 17.372 1.00 0.00 H new ATOM 1126 N ASP A 71 9.950 -3.658 15.709 1.00 0.00 N ATOM 1127 CA ASP A 71 9.099 -3.383 16.859 1.00 0.00 C ATOM 1128 C ASP A 71 8.668 -4.679 17.539 1.00 0.00 C ATOM 1129 O ASP A 71 8.695 -5.759 16.946 1.00 0.00 O ATOM 1130 CB ASP A 71 7.867 -2.585 16.431 1.00 0.00 C ATOM 1131 CG ASP A 71 7.901 -1.154 16.932 1.00 0.00 C ATOM 1132 OD1 ASP A 71 8.989 -0.540 16.900 1.00 0.00 O ATOM 1133 OD2 ASP A 71 6.842 -0.648 17.358 1.00 0.00 O ATOM 0 H ASP A 71 9.442 -3.885 14.854 1.00 0.00 H new ATOM 0 HA ASP A 71 9.675 -2.793 17.572 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.798 -2.584 15.343 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.970 -3.077 16.807 1.00 0.00 H new ATOM 1138 N PRO A 72 8.261 -4.575 18.812 1.00 0.00 N ATOM 1139 CA PRO A 72 7.817 -5.728 19.600 1.00 0.00 C ATOM 1140 C PRO A 72 6.480 -6.281 19.116 1.00 0.00 C ATOM 1141 O PRO A 72 6.030 -7.329 19.577 1.00 0.00 O ATOM 1142 CB PRO A 72 7.679 -5.160 21.015 1.00 0.00 C ATOM 1143 CG PRO A 72 7.435 -3.705 20.816 1.00 0.00 C ATOM 1144 CD PRO A 72 8.201 -3.321 19.582 1.00 0.00 C ATOM 0 HA PRO A 72 8.514 -6.563 19.527 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.855 -5.630 21.552 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.581 -5.334 21.601 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.371 -3.501 20.694 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.773 -3.131 21.679 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.696 -2.532 19.025 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.197 -2.952 19.826 1.00 0.00 H new ATOM 1152 N GLU A 73 5.854 -5.570 18.184 1.00 0.00 N ATOM 1153 CA GLU A 73 4.567 -5.991 17.639 1.00 0.00 C ATOM 1154 C GLU A 73 4.761 -6.831 16.380 1.00 0.00 C ATOM 1155 O GLU A 73 4.126 -7.871 16.213 1.00 0.00 O ATOM 1156 CB GLU A 73 3.699 -4.772 17.325 1.00 0.00 C ATOM 1157 CG GLU A 73 2.216 -5.090 17.230 1.00 0.00 C ATOM 1158 CD GLU A 73 1.348 -4.030 17.879 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.486 -3.819 19.102 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.533 -3.411 17.165 1.00 0.00 O ATOM 0 H GLU A 73 6.216 -4.701 17.791 1.00 0.00 H new ATOM 0 HA GLU A 73 4.064 -6.602 18.389 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.852 -4.019 18.098 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.029 -4.334 16.383 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.937 -5.191 16.181 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.024 -6.052 17.705 1.00 0.00 H new ATOM 1167 N MET A 74 5.640 -6.369 15.497 1.00 0.00 N ATOM 1168 CA MET A 74 5.917 -7.078 14.252 1.00 0.00 C ATOM 1169 C MET A 74 7.411 -7.346 14.100 1.00 0.00 C ATOM 1170 O MET A 74 7.855 -8.492 14.153 1.00 0.00 O ATOM 1171 CB MET A 74 5.407 -6.271 13.057 1.00 0.00 C ATOM 1172 CG MET A 74 4.507 -7.066 12.125 1.00 0.00 C ATOM 1173 SD MET A 74 5.411 -8.306 11.178 1.00 0.00 S ATOM 1174 CE MET A 74 4.185 -9.605 11.064 1.00 0.00 C ATOM 0 H MET A 74 6.173 -5.508 15.620 1.00 0.00 H new ATOM 0 HA MET A 74 5.396 -8.035 14.284 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.860 -5.402 13.423 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.260 -5.896 12.492 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.728 -7.557 12.709 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.007 -6.383 11.438 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.596 -10.445 10.504 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.911 -9.936 12.066 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.300 -9.226 10.553 1.00 0.00 H new ATOM 1184 N GLY A 75 8.184 -6.280 13.910 1.00 0.00 N ATOM 1185 CA GLY A 75 9.619 -6.422 13.752 1.00 0.00 C ATOM 1186 C GLY A 75 10.064 -6.242 12.315 1.00 0.00 C ATOM 1187 O GLY A 75 11.014 -6.886 11.868 1.00 0.00 O ATOM 0 H GLY A 75 7.841 -5.321 13.863 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.125 -5.689 14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.924 -7.408 14.103 1.00 0.00 H new ATOM 1191 N GLU A 76 9.377 -5.366 11.589 1.00 0.00 N ATOM 1192 CA GLU A 76 9.708 -5.107 10.192 1.00 0.00 C ATOM 1193 C GLU A 76 9.242 -3.716 9.773 1.00 0.00 C ATOM 1194 O GLU A 76 8.742 -3.526 8.663 1.00 0.00 O ATOM 1195 CB GLU A 76 9.068 -6.165 9.289 1.00 0.00 C ATOM 1196 CG GLU A 76 10.020 -6.728 8.246 1.00 0.00 C ATOM 1197 CD GLU A 76 10.672 -8.022 8.692 1.00 0.00 C ATOM 1198 OE1 GLU A 76 9.940 -8.940 9.116 1.00 0.00 O ATOM 1199 OE2 GLU A 76 11.915 -8.117 8.615 1.00 0.00 O ATOM 0 H GLU A 76 8.589 -4.824 11.944 1.00 0.00 H new ATOM 0 HA GLU A 76 10.792 -5.156 10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.695 -6.981 9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.206 -5.728 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.476 -6.901 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.793 -5.991 8.030 1.00 0.00 H new ATOM 1206 N ILE A 77 9.411 -2.747 10.667 1.00 0.00 N ATOM 1207 CA ILE A 77 9.009 -1.375 10.389 1.00 0.00 C ATOM 1208 C ILE A 77 9.985 -0.699 9.433 1.00 0.00 C ATOM 1209 O ILE A 77 11.073 -0.283 9.830 1.00 0.00 O ATOM 1210 CB ILE A 77 8.917 -0.542 11.683 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.889 -1.154 12.636 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.558 0.900 11.361 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.740 -0.392 13.934 1.00 0.00 C ATOM 0 H ILE A 77 9.823 -2.888 11.589 1.00 0.00 H new ATOM 0 HA ILE A 77 8.024 -1.423 9.925 1.00 0.00 H new ATOM 0 HB ILE A 77 9.890 -0.551 12.174 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.922 -1.196 12.136 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.178 -2.181 12.858 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.497 1.475 12.285 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.324 1.330 10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.595 0.930 10.851 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.995 -0.883 14.560 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.697 -0.372 14.456 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.421 0.628 13.722 1.00 0.00 H new ATOM 1225 N ILE A 78 9.587 -0.590 8.169 1.00 0.00 N ATOM 1226 CA ILE A 78 10.425 0.037 7.155 1.00 0.00 C ATOM 1227 C ILE A 78 10.359 1.558 7.252 1.00 0.00 C ATOM 1228 O ILE A 78 9.370 2.172 6.852 1.00 0.00 O ATOM 1229 CB ILE A 78 10.010 -0.393 5.735 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.005 -1.920 5.624 1.00 0.00 C ATOM 1231 CG2 ILE A 78 10.946 0.215 4.703 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.621 -2.527 5.700 1.00 0.00 C ATOM 0 H ILE A 78 8.689 -0.928 7.823 1.00 0.00 H new ATOM 0 HA ILE A 78 11.447 -0.294 7.342 1.00 0.00 H new ATOM 0 HB ILE A 78 9.001 -0.029 5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.468 -2.209 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.620 -2.336 6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.640 -0.098 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.905 1.302 4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.965 -0.122 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.694 -3.611 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.162 -2.268 6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.008 -2.139 4.886 1.00 0.00 H new ATOM 1244 N GLN A 79 11.419 2.158 7.785 1.00 0.00 N ATOM 1245 CA GLN A 79 11.481 3.606 7.934 1.00 0.00 C ATOM 1246 C GLN A 79 11.908 4.270 6.628 1.00 0.00 C ATOM 1247 O GLN A 79 12.568 3.651 5.791 1.00 0.00 O ATOM 1248 CB GLN A 79 12.452 3.985 9.053 1.00 0.00 C ATOM 1249 CG GLN A 79 11.816 4.813 10.157 1.00 0.00 C ATOM 1250 CD GLN A 79 12.819 5.694 10.877 1.00 0.00 C ATOM 1251 OE1 GLN A 79 13.957 5.291 11.118 1.00 0.00 O ATOM 1252 NE2 GLN A 79 12.398 6.904 11.227 1.00 0.00 N ATOM 0 H GLN A 79 12.246 1.663 8.120 1.00 0.00 H new ATOM 0 HA GLN A 79 10.484 3.962 8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.867 3.075 9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.285 4.543 8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.030 5.437 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.340 4.147 10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.446 7.196 11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.027 7.541 11.716 1.00 0.00 H new ATOM 1261 N LEU A 80 11.527 5.532 6.459 1.00 0.00 N ATOM 1262 CA LEU A 80 11.870 6.280 5.254 1.00 0.00 C ATOM 1263 C LEU A 80 12.176 7.736 5.586 1.00 0.00 C ATOM 1264 O LEU A 80 11.341 8.443 6.148 1.00 0.00 O ATOM 1265 CB LEU A 80 10.727 6.205 4.240 1.00 0.00 C ATOM 1266 CG LEU A 80 10.950 6.946 2.922 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.916 5.974 1.751 1.00 0.00 C ATOM 1268 CD2 LEU A 80 9.906 8.037 2.740 1.00 0.00 C ATOM 0 H LEU A 80 10.981 6.058 7.141 1.00 0.00 H new ATOM 0 HA LEU A 80 12.763 5.831 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.535 5.156 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.826 6.601 4.708 1.00 0.00 H new ATOM 0 HG LEU A 80 11.934 7.414 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.077 6.519 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.701 5.228 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.946 5.478 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.081 8.554 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.911 7.591 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.977 8.749 3.562 1.00 0.00 H new ATOM 1280 N GLN A 81 13.379 8.177 5.233 1.00 0.00 N ATOM 1281 CA GLN A 81 13.794 9.552 5.493 1.00 0.00 C ATOM 1282 C GLN A 81 13.568 10.429 4.267 1.00 0.00 C ATOM 1283 O GLN A 81 14.340 10.388 3.309 1.00 0.00 O ATOM 1284 CB GLN A 81 15.268 9.592 5.900 1.00 0.00 C ATOM 1285 CG GLN A 81 15.794 10.999 6.141 1.00 0.00 C ATOM 1286 CD GLN A 81 16.501 11.574 4.930 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.983 12.471 4.262 1.00 0.00 O ATOM 1288 NE2 GLN A 81 17.691 11.061 4.639 1.00 0.00 N ATOM 0 H GLN A 81 14.083 7.604 4.767 1.00 0.00 H new ATOM 0 HA GLN A 81 13.188 9.941 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 81 15.402 9.002 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.865 9.118 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.965 11.651 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.482 10.985 6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.082 10.319 5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 81 18.214 11.409 3.835 1.00 0.00 H new ATOM 1297 N GLY A 82 12.503 11.225 4.301 1.00 0.00 N ATOM 1298 CA GLY A 82 12.194 12.102 3.188 1.00 0.00 C ATOM 1299 C GLY A 82 10.746 12.550 3.186 1.00 0.00 C ATOM 1300 O GLY A 82 9.915 11.988 3.899 1.00 0.00 O ATOM 0 H GLY A 82 11.848 11.277 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.842 12.978 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.413 11.587 2.252 1.00 0.00 H new ATOM 1304 N ASP A 83 10.444 13.567 2.388 1.00 0.00 N ATOM 1305 CA ASP A 83 9.087 14.092 2.297 1.00 0.00 C ATOM 1306 C ASP A 83 8.344 13.479 1.115 1.00 0.00 C ATOM 1307 O ASP A 83 7.467 14.110 0.526 1.00 0.00 O ATOM 1308 CB ASP A 83 9.114 15.615 2.163 1.00 0.00 C ATOM 1309 CG ASP A 83 7.944 16.279 2.862 1.00 0.00 C ATOM 1310 OD1 ASP A 83 7.877 16.206 4.108 1.00 0.00 O ATOM 1311 OD2 ASP A 83 7.095 16.872 2.165 1.00 0.00 O ATOM 0 H ASP A 83 11.121 14.045 1.794 1.00 0.00 H new ATOM 0 HA ASP A 83 8.559 13.825 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.046 15.997 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.103 15.884 1.107 1.00 0.00 H new ATOM 1316 N GLN A 84 8.702 12.244 0.774 1.00 0.00 N ATOM 1317 CA GLN A 84 8.069 11.547 -0.339 1.00 0.00 C ATOM 1318 C GLN A 84 6.999 10.581 0.159 1.00 0.00 C ATOM 1319 O GLN A 84 6.969 9.416 -0.236 1.00 0.00 O ATOM 1320 CB GLN A 84 9.119 10.788 -1.154 1.00 0.00 C ATOM 1321 CG GLN A 84 10.025 11.693 -1.973 1.00 0.00 C ATOM 1322 CD GLN A 84 10.186 11.219 -3.403 1.00 0.00 C ATOM 1323 OE1 GLN A 84 10.190 10.018 -3.675 1.00 0.00 O ATOM 1324 NE2 GLN A 84 10.320 12.161 -4.329 1.00 0.00 N ATOM 0 H GLN A 84 9.426 11.707 1.252 1.00 0.00 H new ATOM 0 HA GLN A 84 7.591 12.291 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.731 10.192 -0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.614 10.092 -1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.618 12.704 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.005 11.744 -1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.311 13.145 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.432 11.901 -5.309 1.00 0.00 H new ATOM 1333 N ARG A 85 6.125 11.074 1.031 1.00 0.00 N ATOM 1334 CA ARG A 85 5.055 10.254 1.586 1.00 0.00 C ATOM 1335 C ARG A 85 4.154 9.713 0.478 1.00 0.00 C ATOM 1336 O ARG A 85 4.019 8.501 0.312 1.00 0.00 O ATOM 1337 CB ARG A 85 4.225 11.066 2.581 1.00 0.00 C ATOM 1338 CG ARG A 85 3.809 10.279 3.812 1.00 0.00 C ATOM 1339 CD ARG A 85 2.381 10.600 4.223 1.00 0.00 C ATOM 1340 NE ARG A 85 1.407 9.799 3.488 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.092 9.936 3.619 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.403 10.840 4.452 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.730 9.169 2.914 1.00 0.00 N ATOM 0 H ARG A 85 6.137 12.037 1.368 1.00 0.00 H new ATOM 0 HA ARG A 85 5.510 9.411 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.800 11.938 2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.332 11.437 2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.899 9.212 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.486 10.506 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.263 10.423 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.184 11.658 4.051 1.00 0.00 H new ATOM 0 HE ARG A 85 1.755 9.095 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.226 11.432 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.413 10.943 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.352 8.473 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.739 9.275 3.015 1.00 0.00 H new ATOM 1357 N ALA A 86 3.543 10.620 -0.276 1.00 0.00 N ATOM 1358 CA ALA A 86 2.658 10.235 -1.367 1.00 0.00 C ATOM 1359 C ALA A 86 3.355 9.277 -2.328 1.00 0.00 C ATOM 1360 O ALA A 86 2.709 8.462 -2.988 1.00 0.00 O ATOM 1361 CB ALA A 86 2.169 11.468 -2.112 1.00 0.00 C ATOM 0 H ALA A 86 3.645 11.627 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 86 1.799 9.719 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.509 11.164 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.625 12.116 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.023 12.008 -2.521 1.00 0.00 H new ATOM 1367 N LYS A 87 4.678 9.380 -2.403 1.00 0.00 N ATOM 1368 CA LYS A 87 5.464 8.524 -3.283 1.00 0.00 C ATOM 1369 C LYS A 87 5.558 7.109 -2.720 1.00 0.00 C ATOM 1370 O LYS A 87 5.404 6.129 -3.450 1.00 0.00 O ATOM 1371 CB LYS A 87 6.867 9.104 -3.471 1.00 0.00 C ATOM 1372 CG LYS A 87 7.452 8.845 -4.849 1.00 0.00 C ATOM 1373 CD LYS A 87 7.007 9.900 -5.849 1.00 0.00 C ATOM 1374 CE LYS A 87 6.009 9.334 -6.849 1.00 0.00 C ATOM 1375 NZ LYS A 87 5.212 10.408 -7.505 1.00 0.00 N ATOM 0 H LYS A 87 5.228 10.049 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 87 4.964 8.480 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.833 10.179 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.531 8.679 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.540 8.836 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.144 7.859 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.556 10.739 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.876 10.289 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.541 8.761 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.337 8.642 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.544 9.982 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.684 10.939 -6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.851 11.054 -8.012 1.00 0.00 H new ATOM 1389 N VAL A 88 5.812 7.009 -1.419 1.00 0.00 N ATOM 1390 CA VAL A 88 5.926 5.714 -0.760 1.00 0.00 C ATOM 1391 C VAL A 88 4.613 4.940 -0.841 1.00 0.00 C ATOM 1392 O VAL A 88 4.610 3.709 -0.882 1.00 0.00 O ATOM 1393 CB VAL A 88 6.324 5.870 0.719 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.595 4.510 1.346 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.539 6.776 0.850 1.00 0.00 C ATOM 0 H VAL A 88 5.943 7.810 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 88 6.706 5.160 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 88 5.494 6.332 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.875 4.641 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.697 3.896 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.408 4.018 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.807 6.876 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.376 6.344 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.306 7.759 0.440 1.00 0.00 H new ATOM 1405 N CYS A 89 3.503 5.669 -0.865 1.00 0.00 N ATOM 1406 CA CYS A 89 2.185 5.050 -0.941 1.00 0.00 C ATOM 1407 C CYS A 89 1.877 4.600 -2.365 1.00 0.00 C ATOM 1408 O CYS A 89 1.273 3.549 -2.578 1.00 0.00 O ATOM 1409 CB CYS A 89 1.111 6.028 -0.459 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.374 5.230 0.192 1.00 0.00 S ATOM 0 H CYS A 89 3.489 6.688 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 89 2.185 4.173 -0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.537 6.666 0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.828 6.678 -1.287 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.222 6.138 0.576 1.00 0.00 H new ATOM 1416 N GLU A 90 2.295 5.404 -3.337 1.00 0.00 N ATOM 1417 CA GLU A 90 2.060 5.089 -4.743 1.00 0.00 C ATOM 1418 C GLU A 90 2.933 3.920 -5.190 1.00 0.00 C ATOM 1419 O GLU A 90 2.523 3.108 -6.022 1.00 0.00 O ATOM 1420 CB GLU A 90 2.344 6.313 -5.617 1.00 0.00 C ATOM 1421 CG GLU A 90 1.134 6.791 -6.404 1.00 0.00 C ATOM 1422 CD GLU A 90 0.253 7.732 -5.607 1.00 0.00 C ATOM 1423 OE1 GLU A 90 0.364 7.736 -4.362 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.546 8.465 -6.226 1.00 0.00 O ATOM 0 H GLU A 90 2.797 6.277 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 90 1.014 4.805 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.700 7.126 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.148 6.074 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.471 7.295 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.546 5.929 -6.719 1.00 0.00 H new ATOM 1431 N PHE A 91 4.136 3.838 -4.633 1.00 0.00 N ATOM 1432 CA PHE A 91 5.068 2.770 -4.975 1.00 0.00 C ATOM 1433 C PHE A 91 4.716 1.483 -4.233 1.00 0.00 C ATOM 1434 O PHE A 91 4.931 0.383 -4.740 1.00 0.00 O ATOM 1435 CB PHE A 91 6.501 3.188 -4.642 1.00 0.00 C ATOM 1436 CG PHE A 91 7.530 2.567 -5.543 1.00 0.00 C ATOM 1437 CD1 PHE A 91 8.030 1.301 -5.278 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.999 3.247 -6.654 1.00 0.00 C ATOM 1439 CE1 PHE A 91 8.977 0.728 -6.104 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.946 2.680 -7.486 1.00 0.00 C ATOM 1441 CZ PHE A 91 9.435 1.417 -7.211 1.00 0.00 C ATOM 0 H PHE A 91 4.489 4.499 -3.942 1.00 0.00 H new ATOM 0 HA PHE A 91 4.991 2.584 -6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.579 4.273 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.720 2.915 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.675 0.757 -4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.620 4.234 -6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.359 -0.258 -5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.303 3.223 -8.349 1.00 0.00 H new ATOM 0 HZ PHE A 91 10.173 0.969 -7.860 1.00 0.00 H new ATOM 1451 N MET A 92 4.173 1.633 -3.029 1.00 0.00 N ATOM 1452 CA MET A 92 3.789 0.484 -2.217 1.00 0.00 C ATOM 1453 C MET A 92 2.618 -0.262 -2.848 1.00 0.00 C ATOM 1454 O MET A 92 2.627 -1.491 -2.931 1.00 0.00 O ATOM 1455 CB MET A 92 3.419 0.933 -0.801 1.00 0.00 C ATOM 1456 CG MET A 92 4.556 0.789 0.199 1.00 0.00 C ATOM 1457 SD MET A 92 4.981 -0.932 0.524 1.00 0.00 S ATOM 1458 CE MET A 92 3.888 -1.297 1.895 1.00 0.00 C ATOM 0 H MET A 92 3.989 2.537 -2.595 1.00 0.00 H new ATOM 0 HA MET A 92 4.642 -0.193 -2.165 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.102 1.975 -0.830 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.566 0.350 -0.455 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.435 1.311 -0.179 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.275 1.273 1.135 1.00 0.00 H new ATOM 0 HE1 MET A 92 4.470 -1.378 2.813 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.156 -0.497 2.000 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.372 -2.239 1.708 1.00 0.00 H new ATOM 1468 N ILE A 93 1.614 0.487 -3.290 1.00 0.00 N ATOM 1469 CA ILE A 93 0.437 -0.105 -3.914 1.00 0.00 C ATOM 1470 C ILE A 93 0.752 -0.602 -5.322 1.00 0.00 C ATOM 1471 O ILE A 93 0.298 -1.669 -5.730 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.728 0.899 -3.985 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.072 1.414 -2.585 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -1.944 0.256 -4.633 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.602 0.340 -1.661 1.00 0.00 C ATOM 0 H ILE A 93 1.592 1.505 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 93 0.141 -0.949 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.421 1.746 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.181 1.858 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.814 2.208 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.759 0.979 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.691 -0.065 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.256 -0.607 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.825 0.776 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.511 -0.088 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.852 -0.443 -1.546 1.00 0.00 H new ATOM 1487 N SER A 94 1.535 0.181 -6.057 1.00 0.00 N ATOM 1488 CA SER A 94 1.910 -0.177 -7.421 1.00 0.00 C ATOM 1489 C SER A 94 2.828 -1.395 -7.428 1.00 0.00 C ATOM 1490 O SER A 94 2.905 -2.119 -8.420 1.00 0.00 O ATOM 1491 CB SER A 94 2.601 1.003 -8.109 1.00 0.00 C ATOM 1492 OG SER A 94 1.697 2.073 -8.315 1.00 0.00 O ATOM 0 H SER A 94 1.922 1.067 -5.732 1.00 0.00 H new ATOM 0 HA SER A 94 1.001 -0.425 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.439 1.343 -7.501 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.012 0.680 -9.066 1.00 0.00 H new ATOM 0 HG SER A 94 1.758 2.701 -7.565 1.00 0.00 H new ATOM 1498 N GLN A 95 3.522 -1.613 -6.316 1.00 0.00 N ATOM 1499 CA GLN A 95 4.435 -2.743 -6.195 1.00 0.00 C ATOM 1500 C GLN A 95 3.756 -3.921 -5.507 1.00 0.00 C ATOM 1501 O GLN A 95 4.165 -5.072 -5.672 1.00 0.00 O ATOM 1502 CB GLN A 95 5.686 -2.333 -5.415 1.00 0.00 C ATOM 1503 CG GLN A 95 6.687 -3.462 -5.233 1.00 0.00 C ATOM 1504 CD GLN A 95 7.103 -4.090 -6.548 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.478 -3.392 -7.491 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.042 -5.414 -6.620 1.00 0.00 N ATOM 0 H GLN A 95 3.469 -1.022 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 95 4.726 -3.052 -7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.173 -1.507 -5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.387 -1.962 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.571 -3.080 -4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.253 -4.228 -4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.725 -5.954 -5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.312 -5.891 -7.480 1.00 0.00 H new ATOM 1515 N LEU A 96 2.717 -3.629 -4.733 1.00 0.00 N ATOM 1516 CA LEU A 96 1.978 -4.665 -4.018 1.00 0.00 C ATOM 1517 C LEU A 96 0.942 -5.320 -4.925 1.00 0.00 C ATOM 1518 O LEU A 96 0.528 -6.454 -4.694 1.00 0.00 O ATOM 1519 CB LEU A 96 1.293 -4.072 -2.786 1.00 0.00 C ATOM 1520 CG LEU A 96 2.150 -3.978 -1.522 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.608 -2.906 -0.589 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.205 -5.325 -0.815 1.00 0.00 C ATOM 0 H LEU A 96 2.366 -2.683 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 96 2.688 -5.428 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.940 -3.072 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.412 -4.673 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 96 3.163 -3.700 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.230 -2.853 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.620 -1.942 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.585 -3.154 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.819 -5.240 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.197 -5.632 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.639 -6.069 -1.483 1.00 0.00 H new ATOM 1534 N GLY A 97 0.526 -4.594 -5.960 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.456 -5.123 -6.887 1.00 0.00 C ATOM 1536 C GLY A 97 -1.863 -4.657 -6.568 1.00 0.00 C ATOM 1537 O GLY A 97 -2.810 -5.445 -6.603 1.00 0.00 O ATOM 0 H GLY A 97 0.852 -3.651 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.196 -4.817 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.423 -6.212 -6.864 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.003 -3.374 -6.254 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.305 -2.803 -5.925 1.00 0.00 C ATOM 1543 C LEU A 98 -3.868 -3.429 -4.653 1.00 0.00 C ATOM 1544 O LEU A 98 -4.987 -3.941 -4.646 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.281 -3.010 -7.084 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.413 -1.986 -7.199 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.882 -0.660 -7.719 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -6.518 -2.513 -8.103 1.00 0.00 C ATOM 0 H LEU A 98 -1.231 -2.709 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.174 -1.734 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.715 -3.002 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.723 -4.002 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.831 -1.821 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.701 0.056 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.127 -0.276 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.437 -0.807 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.315 -1.772 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.114 -2.707 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.918 -3.438 -7.687 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.085 -3.384 -3.580 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.507 -3.946 -2.302 1.00 0.00 C ATOM 1562 C GLN A 99 -4.104 -2.869 -1.405 1.00 0.00 C ATOM 1563 O GLN A 99 -3.438 -1.890 -1.063 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.323 -4.615 -1.600 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.737 -5.621 -0.538 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.638 -6.711 -1.083 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -4.828 -6.762 -0.771 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -3.074 -7.588 -1.904 1.00 0.00 N ATOM 0 H GLN A 99 -2.155 -2.964 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.274 -4.695 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.706 -5.118 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.703 -3.846 -1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.845 -6.075 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.252 -5.100 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.084 -7.507 -2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.631 -8.343 -2.304 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.364 -3.052 -1.025 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.052 -2.097 -0.165 1.00 0.00 C ATOM 1579 C LYS A 100 -7.103 -2.795 0.693 1.00 0.00 C ATOM 1580 O LYS A 100 -8.010 -2.156 1.226 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.712 -1.004 -1.008 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.701 -1.538 -2.030 1.00 0.00 C ATOM 1583 CD LYS A 100 -9.068 -0.897 -1.871 1.00 0.00 C ATOM 1584 CE LYS A 100 -9.092 0.515 -2.436 1.00 0.00 C ATOM 1585 NZ LYS A 100 -8.818 1.536 -1.387 1.00 0.00 N ATOM 0 H LYS A 100 -5.930 -3.855 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.313 -1.643 0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.227 -0.307 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.937 -0.438 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.324 -1.349 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.790 -2.619 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.817 -1.505 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.339 -0.872 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.350 0.601 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.065 0.709 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.166 2.463 -1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.303 1.268 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.794 1.591 -1.215 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.973 -4.111 0.825 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.909 -4.896 1.620 1.00 0.00 C ATOM 1601 C LYS A 101 -8.013 -4.346 3.038 1.00 0.00 C ATOM 1602 O LYS A 101 -9.033 -4.512 3.706 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.471 -6.362 1.661 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.176 -7.237 0.641 1.00 0.00 C ATOM 1605 CD LYS A 101 -8.571 -8.579 1.234 1.00 0.00 C ATOM 1606 CE LYS A 101 -8.938 -9.582 0.151 1.00 0.00 C ATOM 1607 NZ LYS A 101 -7.762 -9.953 -0.683 1.00 0.00 N ATOM 0 H LYS A 101 -6.228 -4.656 0.391 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.890 -4.829 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.396 -6.416 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.657 -6.760 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.065 -6.725 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.523 -7.396 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.747 -8.971 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.417 -8.445 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.354 -10.478 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.716 -9.161 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.943 -10.862 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.600 -9.218 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.920 -10.038 -0.078 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.951 -3.688 3.493 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.924 -3.112 4.832 1.00 0.00 C ATOM 1623 C ASN A 102 -5.653 -2.294 5.047 1.00 0.00 C ATOM 1624 O ASN A 102 -4.587 -2.640 4.539 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.015 -4.217 5.887 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.474 -3.694 7.235 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.892 -2.757 7.780 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.524 -4.299 7.778 1.00 0.00 N ATOM 0 H ASN A 102 -6.098 -3.541 2.954 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.784 -2.450 4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.707 -4.987 5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.040 -4.691 5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.879 -3.990 8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -8.976 -5.072 7.290 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.777 -1.208 5.802 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.640 -0.341 6.085 1.00 0.00 C ATOM 1637 C ILE A 103 -4.671 0.154 7.527 1.00 0.00 C ATOM 1638 O ILE A 103 -5.638 0.785 7.957 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.608 0.872 5.138 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.858 0.427 3.695 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -3.275 1.596 5.250 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -6.320 0.448 3.302 1.00 0.00 C ATOM 0 H ILE A 103 -6.653 -0.907 6.229 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.742 -0.938 5.928 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.400 1.562 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.299 1.076 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.468 -0.582 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.268 2.451 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.133 1.941 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.467 0.915 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.423 0.121 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.881 -0.223 3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.709 1.461 3.403 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.607 -0.134 8.269 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.510 0.284 9.662 1.00 0.00 C ATOM 1656 C LYS A 104 -2.714 1.579 9.787 1.00 0.00 C ATOM 1657 O LYS A 104 -1.492 1.586 9.628 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.853 -0.814 10.502 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.248 -0.779 11.968 1.00 0.00 C ATOM 1660 CD LYS A 104 -4.736 -1.027 12.150 1.00 0.00 C ATOM 1661 CE LYS A 104 -5.395 0.093 12.942 1.00 0.00 C ATOM 1662 NZ LYS A 104 -6.880 0.000 12.902 1.00 0.00 N ATOM 0 H LYS A 104 -2.799 -0.656 7.928 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.520 0.461 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.119 -1.786 10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.770 -0.720 10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.683 -1.533 12.516 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.985 0.189 12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.214 -1.114 11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.888 -1.976 12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.056 0.054 13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.080 1.056 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.292 0.780 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.205 0.063 11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.182 -0.908 13.309 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.413 2.672 10.076 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.769 3.972 10.225 1.00 0.00 C ATOM 1678 C ILE A 105 -2.706 4.389 11.690 1.00 0.00 C ATOM 1679 O ILE A 105 -3.672 4.228 12.435 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.509 5.061 9.425 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.825 4.562 8.013 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.678 6.334 9.369 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.567 5.572 7.167 1.00 0.00 C ATOM 0 H ILE A 105 -4.424 2.683 10.211 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.756 3.870 9.835 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.449 5.286 9.929 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.893 4.296 7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.420 3.652 8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.214 7.094 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.499 6.697 10.381 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.724 6.125 8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.757 5.150 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.515 5.820 7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.964 6.475 7.066 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.560 4.927 12.097 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.371 5.371 13.473 1.00 0.00 C ATOM 1697 C HIS A 106 -1.842 6.810 13.650 1.00 0.00 C ATOM 1698 O HIS A 106 -1.338 7.724 12.999 1.00 0.00 O ATOM 1699 CB HIS A 106 0.101 5.252 13.870 1.00 0.00 C ATOM 1700 CG HIS A 106 0.309 4.647 15.225 1.00 0.00 C ATOM 1701 ND1 HIS A 106 -0.261 3.451 15.609 1.00 0.00 N ATOM 1702 CD2 HIS A 106 1.031 5.077 16.286 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.099 3.174 16.850 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.884 4.144 17.284 1.00 0.00 N ATOM 0 H HIS A 106 -0.749 5.066 11.494 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.969 4.730 14.121 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.621 4.647 13.127 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.556 6.242 13.850 1.00 0.00 H new ATOM 0 HD2 HIS A 106 1.614 5.985 16.338 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.198 2.302 17.414 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.311 4.192 18.209 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.816 7.004 14.536 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.339 8.334 14.782 1.00 0.00 C ATOM 1714 C GLY A 107 -2.738 8.976 16.016 1.00 0.00 C ATOM 1715 O GLY A 107 -3.088 8.621 17.142 1.00 0.00 O ATOM 0 H GLY A 107 -3.251 6.264 15.087 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.141 8.965 13.915 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.422 8.280 14.896 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.828 9.922 15.806 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.175 10.613 16.911 1.00 0.00 C ATOM 1721 C PHE A 108 -1.995 11.817 17.362 1.00 0.00 C ATOM 1722 O PHE A 108 -2.597 12.512 16.544 1.00 0.00 O ATOM 1723 CB PHE A 108 0.229 11.063 16.499 1.00 0.00 C ATOM 1724 CG PHE A 108 1.276 10.791 17.542 1.00 0.00 C ATOM 1725 CD1 PHE A 108 1.170 11.340 18.809 1.00 0.00 C ATOM 1726 CD2 PHE A 108 2.366 9.986 17.253 1.00 0.00 C ATOM 1727 CE1 PHE A 108 2.131 11.090 19.771 1.00 0.00 C ATOM 1728 CE2 PHE A 108 3.331 9.733 18.211 1.00 0.00 C ATOM 1729 CZ PHE A 108 3.213 10.288 19.471 1.00 0.00 C ATOM 0 H PHE A 108 -1.526 10.227 14.881 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.097 9.917 17.746 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.508 10.556 15.575 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.211 12.131 16.284 1.00 0.00 H new ATOM 0 HD1 PHE A 108 0.327 11.971 19.048 1.00 0.00 H new ATOM 0 HD2 PHE A 108 2.463 9.551 16.269 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.035 11.522 20.756 1.00 0.00 H new ATOM 0 HE2 PHE A 108 4.175 9.103 17.975 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.967 10.094 20.220 1.00 0.00 H new TER 1739 PHE A 108