USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.012) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -1:sc= -8.16! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= -0.361 (180deg=-1.07) USER MOD Single : A 24 TYR OH : rot 55:sc= 0.789 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.223) USER MOD Single : A 29 MET CE :methyl 136:sc= -2.26 (180deg=-5.53!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -7.75! C(o=-7.8!,f=-14!) USER MOD Single : A 36 ASN : amide:sc= -7.9! C(o=-7.9!,f=-7.1!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 145:sc= -0.385 (180deg=-2.38!) USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= -0.662 (180deg=-2.89!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 104:sc= -0.452 USER MOD Single : A 57 THR OG1 : rot -34:sc= 0.45 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.669 K(o=-0.67,f=-2.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.25! K(o=-2.2!,f=-0.71) USER MOD Single : A 75 GLN : amide:sc= -0.0045 X(o=-0.0045,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 62.042 -13.648 -1.521 1.00 0.00 N ATOM 2 CA ALA A 1 62.338 -14.199 -0.168 1.00 0.00 C ATOM 3 C ALA A 1 63.311 -13.280 0.576 1.00 0.00 C ATOM 4 O ALA A 1 62.985 -12.711 1.599 1.00 0.00 O ATOM 5 CB ALA A 1 62.980 -15.562 -0.426 1.00 0.00 C ATOM 0 H1 ALA A 1 61.381 -14.280 -2.016 1.00 0.00 H new ATOM 0 H2 ALA A 1 61.614 -12.705 -1.426 1.00 0.00 H new ATOM 0 H3 ALA A 1 62.924 -13.574 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 1 61.443 -14.281 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 1 63.228 -16.033 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 1 62.282 -16.195 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 1 63.889 -15.431 -1.014 1.00 0.00 H new ATOM 13 N LYS A 2 64.505 -13.130 0.070 1.00 0.00 N ATOM 14 CA LYS A 2 65.497 -12.247 0.750 1.00 0.00 C ATOM 15 C LYS A 2 65.266 -10.784 0.356 1.00 0.00 C ATOM 16 O LYS A 2 64.267 -10.442 -0.246 1.00 0.00 O ATOM 17 CB LYS A 2 66.862 -12.729 0.257 1.00 0.00 C ATOM 18 CG LYS A 2 67.745 -13.075 1.459 1.00 0.00 C ATOM 19 CD LYS A 2 69.189 -12.657 1.171 1.00 0.00 C ATOM 20 CE LYS A 2 69.555 -11.454 2.044 1.00 0.00 C ATOM 21 NZ LYS A 2 70.044 -12.039 3.324 1.00 0.00 N ATOM 0 H LYS A 2 64.837 -13.580 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 2 65.416 -12.297 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 2 66.742 -13.603 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 2 67.337 -11.955 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 2 67.379 -12.566 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 2 67.699 -14.145 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 2 69.866 -13.487 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 2 69.302 -12.403 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 2 70.323 -10.843 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 2 68.692 -10.809 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 70.314 -11.274 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 69.289 -12.610 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 70.870 -12.642 3.137 1.00 0.00 H new ATOM 35 N GLN A 3 66.183 -9.919 0.693 1.00 0.00 N ATOM 36 CA GLN A 3 66.020 -8.478 0.339 1.00 0.00 C ATOM 37 C GLN A 3 64.775 -7.894 1.014 1.00 0.00 C ATOM 38 O GLN A 3 63.663 -8.309 0.754 1.00 0.00 O ATOM 39 CB GLN A 3 65.859 -8.455 -1.182 1.00 0.00 C ATOM 40 CG GLN A 3 66.942 -9.324 -1.826 1.00 0.00 C ATOM 41 CD GLN A 3 67.150 -8.885 -3.277 1.00 0.00 C ATOM 42 OE1 GLN A 3 67.021 -9.678 -4.190 1.00 0.00 O ATOM 43 NE2 GLN A 3 67.470 -7.646 -3.531 1.00 0.00 N ATOM 0 H GLN A 3 67.039 -10.147 1.199 1.00 0.00 H new ATOM 0 HA GLN A 3 66.869 -7.881 0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 3 64.871 -8.823 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 3 65.933 -7.432 -1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 3 67.875 -9.233 -1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 3 66.650 -10.374 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 3 67.578 -6.980 -2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 3 67.612 -7.343 -4.495 1.00 0.00 H new ATOM 52 N ASP A 4 64.955 -6.925 1.869 1.00 0.00 N ATOM 53 CA ASP A 4 63.781 -6.302 2.553 1.00 0.00 C ATOM 54 C ASP A 4 63.693 -4.833 2.212 1.00 0.00 C ATOM 55 O ASP A 4 64.666 -4.109 2.241 1.00 0.00 O ATOM 56 CB ASP A 4 64.002 -6.476 4.063 1.00 0.00 C ATOM 57 CG ASP A 4 65.500 -6.546 4.381 1.00 0.00 C ATOM 58 OD1 ASP A 4 66.202 -5.609 4.038 1.00 0.00 O ATOM 59 OD2 ASP A 4 65.917 -7.535 4.962 1.00 0.00 O ATOM 0 H ASP A 4 65.863 -6.536 2.125 1.00 0.00 H new ATOM 0 HA ASP A 4 62.852 -6.774 2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 4 63.548 -5.644 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.508 -7.385 4.407 1.00 0.00 H new ATOM 64 N TYR A 5 62.519 -4.389 1.901 1.00 0.00 N ATOM 65 CA TYR A 5 62.337 -2.961 1.569 1.00 0.00 C ATOM 66 C TYR A 5 61.694 -2.254 2.757 1.00 0.00 C ATOM 67 O TYR A 5 62.009 -1.123 3.067 1.00 0.00 O ATOM 68 CB TYR A 5 61.471 -2.897 0.309 1.00 0.00 C ATOM 69 CG TYR A 5 61.144 -4.280 -0.198 1.00 0.00 C ATOM 70 CD1 TYR A 5 62.016 -4.911 -1.090 1.00 0.00 C ATOM 71 CD2 TYR A 5 59.976 -4.916 0.216 1.00 0.00 C ATOM 72 CE1 TYR A 5 61.716 -6.191 -1.571 1.00 0.00 C ATOM 73 CE2 TYR A 5 59.671 -6.196 -0.265 1.00 0.00 C ATOM 74 CZ TYR A 5 60.541 -6.833 -1.159 1.00 0.00 C ATOM 75 OH TYR A 5 60.241 -8.092 -1.635 1.00 0.00 O ATOM 0 H TYR A 5 61.672 -4.956 1.862 1.00 0.00 H new ATOM 0 HA TYR A 5 63.283 -2.457 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.548 -2.358 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.993 -2.336 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.920 -4.412 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 5 59.307 -4.424 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 5 62.389 -6.682 -2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 5 58.766 -6.691 0.053 1.00 0.00 H new ATOM 0 HH TYR A 5 59.392 -8.394 -1.250 1.00 0.00 H new ATOM 85 N TYR A 6 60.844 -2.919 3.480 1.00 0.00 N ATOM 86 CA TYR A 6 60.290 -2.259 4.680 1.00 0.00 C ATOM 87 C TYR A 6 61.463 -2.068 5.638 1.00 0.00 C ATOM 88 O TYR A 6 61.473 -1.188 6.476 1.00 0.00 O ATOM 89 CB TYR A 6 59.228 -3.194 5.230 1.00 0.00 C ATOM 90 CG TYR A 6 57.956 -2.969 4.448 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.116 -1.901 4.785 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.620 -3.816 3.385 1.00 0.00 C ATOM 93 CE1 TYR A 6 55.941 -1.680 4.062 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.441 -3.593 2.660 1.00 0.00 C ATOM 95 CZ TYR A 6 55.604 -2.523 3.002 1.00 0.00 C ATOM 96 OH TYR A 6 54.448 -2.296 2.295 1.00 0.00 O ATOM 0 H TYR A 6 60.517 -3.868 3.297 1.00 0.00 H new ATOM 0 HA TYR A 6 59.830 -1.288 4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.551 -4.231 5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.063 -3.001 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.376 -1.247 5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.268 -4.640 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.293 -0.856 4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.179 -4.245 1.840 1.00 0.00 H new ATOM 0 HH TYR A 6 53.980 -1.522 2.673 1.00 0.00 H new ATOM 106 N GLU A 7 62.491 -2.869 5.457 1.00 0.00 N ATOM 107 CA GLU A 7 63.719 -2.727 6.280 1.00 0.00 C ATOM 108 C GLU A 7 64.645 -1.736 5.570 1.00 0.00 C ATOM 109 O GLU A 7 65.406 -1.020 6.189 1.00 0.00 O ATOM 110 CB GLU A 7 64.342 -4.123 6.328 1.00 0.00 C ATOM 111 CG GLU A 7 65.498 -4.132 7.332 1.00 0.00 C ATOM 112 CD GLU A 7 65.293 -5.264 8.339 1.00 0.00 C ATOM 113 OE1 GLU A 7 65.492 -6.408 7.964 1.00 0.00 O ATOM 114 OE2 GLU A 7 64.941 -4.969 9.469 1.00 0.00 O ATOM 0 H GLU A 7 62.523 -3.619 4.766 1.00 0.00 H new ATOM 0 HA GLU A 7 63.530 -2.358 7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.591 -4.858 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.703 -4.406 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 7 66.446 -4.263 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 7 65.550 -3.175 7.851 1.00 0.00 H new ATOM 121 N ILE A 8 64.561 -1.680 4.260 1.00 0.00 N ATOM 122 CA ILE A 8 65.410 -0.722 3.495 1.00 0.00 C ATOM 123 C ILE A 8 65.358 0.630 4.196 1.00 0.00 C ATOM 124 O ILE A 8 66.358 1.273 4.452 1.00 0.00 O ATOM 125 CB ILE A 8 64.759 -0.640 2.098 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.583 -1.481 1.121 1.00 0.00 C ATOM 127 CG2 ILE A 8 64.697 0.809 1.593 1.00 0.00 C ATOM 128 CD1 ILE A 8 64.865 -1.569 -0.226 1.00 0.00 C ATOM 0 H ILE A 8 63.941 -2.257 3.692 1.00 0.00 H new ATOM 0 HA ILE A 8 66.455 -1.026 3.426 1.00 0.00 H new ATOM 0 HB ILE A 8 63.739 -1.018 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 8 66.570 -1.037 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 8 65.735 -2.481 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 8 64.233 0.831 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 8 64.107 1.411 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 8 65.706 1.215 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 8 65.458 -2.169 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 8 63.888 -2.033 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 8 64.736 -0.567 -0.636 1.00 0.00 H new ATOM 140 N LEU A 9 64.166 1.043 4.494 1.00 0.00 N ATOM 141 CA LEU A 9 63.939 2.343 5.176 1.00 0.00 C ATOM 142 C LEU A 9 64.064 2.141 6.681 1.00 0.00 C ATOM 143 O LEU A 9 64.246 3.068 7.441 1.00 0.00 O ATOM 144 CB LEU A 9 62.492 2.679 4.814 1.00 0.00 C ATOM 145 CG LEU A 9 62.359 3.116 3.346 1.00 0.00 C ATOM 146 CD1 LEU A 9 63.646 3.772 2.834 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.005 1.907 2.475 1.00 0.00 C ATOM 0 H LEU A 9 63.314 0.521 4.288 1.00 0.00 H new ATOM 0 HA LEU A 9 64.643 3.123 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.861 1.809 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.130 3.475 5.465 1.00 0.00 H new ATOM 0 HG LEU A 9 61.562 3.857 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 9 63.514 4.068 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 9 63.870 4.653 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 9 64.470 3.063 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 9 61.912 2.222 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 9 62.791 1.156 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 9 61.060 1.481 2.811 1.00 0.00 H new ATOM 159 N GLY A 10 63.941 0.925 7.116 1.00 0.00 N ATOM 160 CA GLY A 10 64.016 0.648 8.568 1.00 0.00 C ATOM 161 C GLY A 10 62.611 0.786 9.141 1.00 0.00 C ATOM 162 O GLY A 10 62.424 0.910 10.335 1.00 0.00 O ATOM 0 H GLY A 10 63.791 0.107 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.405 -0.355 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.698 1.345 9.055 1.00 0.00 H new ATOM 166 N VAL A 11 61.614 0.766 8.291 1.00 0.00 N ATOM 167 CA VAL A 11 60.213 0.899 8.794 1.00 0.00 C ATOM 168 C VAL A 11 59.645 -0.472 9.127 1.00 0.00 C ATOM 169 O VAL A 11 60.322 -1.478 9.055 1.00 0.00 O ATOM 170 CB VAL A 11 59.354 1.511 7.673 1.00 0.00 C ATOM 171 CG1 VAL A 11 58.542 2.665 8.243 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.195 2.024 6.501 1.00 0.00 C ATOM 0 H VAL A 11 61.708 0.664 7.280 1.00 0.00 H new ATOM 0 HA VAL A 11 60.207 1.525 9.687 1.00 0.00 H new ATOM 0 HB VAL A 11 58.704 0.723 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.931 3.104 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 11 57.896 2.297 9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.217 3.422 8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.539 2.445 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.881 2.794 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.765 1.199 6.073 1.00 0.00 H new ATOM 182 N SER A 12 58.390 -0.517 9.464 1.00 0.00 N ATOM 183 CA SER A 12 57.751 -1.817 9.775 1.00 0.00 C ATOM 184 C SER A 12 57.318 -2.484 8.479 1.00 0.00 C ATOM 185 O SER A 12 56.900 -1.830 7.549 1.00 0.00 O ATOM 186 CB SER A 12 56.539 -1.473 10.639 1.00 0.00 C ATOM 187 OG SER A 12 56.964 -0.706 11.759 1.00 0.00 O ATOM 0 H SER A 12 57.778 0.296 9.537 1.00 0.00 H new ATOM 0 HA SER A 12 58.421 -2.505 10.290 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.809 -0.912 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.046 -2.385 10.974 1.00 0.00 H new ATOM 0 HG SER A 12 56.189 -0.482 12.315 1.00 0.00 H new ATOM 193 N LYS A 13 57.405 -3.781 8.397 1.00 0.00 N ATOM 194 CA LYS A 13 56.976 -4.446 7.143 1.00 0.00 C ATOM 195 C LYS A 13 55.592 -3.937 6.758 1.00 0.00 C ATOM 196 O LYS A 13 55.179 -4.011 5.618 1.00 0.00 O ATOM 197 CB LYS A 13 56.967 -5.933 7.449 1.00 0.00 C ATOM 198 CG LYS A 13 56.017 -6.216 8.615 1.00 0.00 C ATOM 199 CD LYS A 13 56.492 -7.457 9.374 1.00 0.00 C ATOM 200 CE LYS A 13 55.918 -7.438 10.792 1.00 0.00 C ATOM 201 NZ LYS A 13 57.079 -7.131 11.671 1.00 0.00 N ATOM 0 H LYS A 13 57.749 -4.399 9.132 1.00 0.00 H new ATOM 0 HA LYS A 13 57.637 -4.237 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.653 -6.493 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 13 57.974 -6.269 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 13 55.983 -5.358 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.004 -6.370 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.173 -8.360 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 13 57.581 -7.479 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 55.137 -6.685 10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 13 55.470 -8.398 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.766 -7.101 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.804 -7.869 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 57.480 -6.209 11.406 1.00 0.00 H new ATOM 215 N THR A 14 54.879 -3.405 7.709 1.00 0.00 N ATOM 216 CA THR A 14 53.527 -2.868 7.421 1.00 0.00 C ATOM 217 C THR A 14 53.573 -1.333 7.426 1.00 0.00 C ATOM 218 O THR A 14 52.553 -0.676 7.470 1.00 0.00 O ATOM 219 CB THR A 14 52.645 -3.403 8.552 1.00 0.00 C ATOM 220 OG1 THR A 14 52.814 -2.596 9.709 1.00 0.00 O ATOM 221 CG2 THR A 14 53.048 -4.848 8.868 1.00 0.00 C ATOM 0 H THR A 14 55.179 -3.320 8.680 1.00 0.00 H new ATOM 0 HA THR A 14 53.146 -3.168 6.445 1.00 0.00 H new ATOM 0 HB THR A 14 51.600 -3.376 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 14 52.248 -2.938 10.432 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.422 -5.233 9.673 1.00 0.00 H new ATOM 0 HG22 THR A 14 52.916 -5.465 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.093 -4.875 9.176 1.00 0.00 H new ATOM 229 N ALA A 15 54.758 -0.764 7.379 1.00 0.00 N ATOM 230 CA ALA A 15 54.897 0.716 7.369 1.00 0.00 C ATOM 231 C ALA A 15 54.087 1.336 6.226 1.00 0.00 C ATOM 232 O ALA A 15 53.022 0.877 5.868 1.00 0.00 O ATOM 233 CB ALA A 15 56.384 0.942 7.129 1.00 0.00 C ATOM 0 H ALA A 15 55.640 -1.275 7.347 1.00 0.00 H new ATOM 0 HA ALA A 15 54.533 1.171 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 15 56.590 2.012 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 15 56.957 0.480 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.671 0.495 6.177 1.00 0.00 H new ATOM 239 N GLU A 16 54.607 2.376 5.648 1.00 0.00 N ATOM 240 CA GLU A 16 53.913 3.051 4.519 1.00 0.00 C ATOM 241 C GLU A 16 54.941 3.811 3.679 1.00 0.00 C ATOM 242 O GLU A 16 56.052 3.363 3.497 1.00 0.00 O ATOM 243 CB GLU A 16 52.918 4.020 5.162 1.00 0.00 C ATOM 244 CG GLU A 16 52.014 3.261 6.137 1.00 0.00 C ATOM 245 CD GLU A 16 50.879 4.175 6.596 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.534 5.079 5.854 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.372 3.955 7.684 1.00 0.00 O ATOM 0 H GLU A 16 55.498 2.795 5.913 1.00 0.00 H new ATOM 0 HA GLU A 16 53.404 2.346 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.454 4.810 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.315 4.501 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.607 2.372 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.592 2.922 6.996 1.00 0.00 H new ATOM 254 N GLU A 17 54.580 4.949 3.160 1.00 0.00 N ATOM 255 CA GLU A 17 55.541 5.735 2.324 1.00 0.00 C ATOM 256 C GLU A 17 56.368 6.719 3.174 1.00 0.00 C ATOM 257 O GLU A 17 57.551 6.541 3.378 1.00 0.00 O ATOM 258 CB GLU A 17 54.662 6.490 1.324 1.00 0.00 C ATOM 259 CG GLU A 17 53.621 5.534 0.738 1.00 0.00 C ATOM 260 CD GLU A 17 53.095 6.099 -0.582 1.00 0.00 C ATOM 261 OE1 GLU A 17 53.491 7.199 -0.932 1.00 0.00 O ATOM 262 OE2 GLU A 17 52.306 5.423 -1.220 1.00 0.00 O ATOM 0 H GLU A 17 53.660 5.374 3.276 1.00 0.00 H new ATOM 0 HA GLU A 17 56.268 5.086 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.167 7.326 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 17 55.276 6.909 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 17 54.065 4.552 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.799 5.399 1.441 1.00 0.00 H new ATOM 269 N ARG A 18 55.744 7.766 3.641 1.00 0.00 N ATOM 270 CA ARG A 18 56.456 8.804 4.455 1.00 0.00 C ATOM 271 C ARG A 18 57.479 8.194 5.426 1.00 0.00 C ATOM 272 O ARG A 18 58.630 8.578 5.448 1.00 0.00 O ATOM 273 CB ARG A 18 55.343 9.510 5.230 1.00 0.00 C ATOM 274 CG ARG A 18 54.431 8.469 5.886 1.00 0.00 C ATOM 275 CD ARG A 18 53.060 9.092 6.165 1.00 0.00 C ATOM 276 NE ARG A 18 53.298 10.065 7.267 1.00 0.00 N ATOM 277 CZ ARG A 18 52.994 9.747 8.496 1.00 0.00 C ATOM 278 NH1 ARG A 18 52.863 8.492 8.834 1.00 0.00 N ATOM 279 NH2 ARG A 18 52.822 10.683 9.388 1.00 0.00 N ATOM 0 H ARG A 18 54.752 7.953 3.492 1.00 0.00 H new ATOM 0 HA ARG A 18 57.031 9.476 3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.773 10.162 5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.764 10.143 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.322 7.603 5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.877 8.114 6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 18 52.664 9.588 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.334 8.334 6.458 1.00 0.00 H new ATOM 0 HE ARG A 18 53.699 10.980 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 18 52.998 7.759 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 18 52.625 8.245 9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.925 11.663 9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 18 52.584 10.435 10.348 1.00 0.00 H new ATOM 293 N GLU A 19 57.076 7.260 6.236 1.00 0.00 N ATOM 294 CA GLU A 19 58.025 6.649 7.197 1.00 0.00 C ATOM 295 C GLU A 19 59.091 5.904 6.415 1.00 0.00 C ATOM 296 O GLU A 19 60.196 5.698 6.877 1.00 0.00 O ATOM 297 CB GLU A 19 57.182 5.694 8.043 1.00 0.00 C ATOM 298 CG GLU A 19 56.263 4.861 7.149 1.00 0.00 C ATOM 299 CD GLU A 19 54.806 5.093 7.558 1.00 0.00 C ATOM 300 OE1 GLU A 19 54.373 6.231 7.509 1.00 0.00 O ATOM 301 OE2 GLU A 19 54.150 4.128 7.913 1.00 0.00 O ATOM 0 H GLU A 19 56.125 6.893 6.273 1.00 0.00 H new ATOM 0 HA GLU A 19 58.532 7.378 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 19 57.833 5.037 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 19 56.587 6.261 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.407 5.136 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.513 3.804 7.237 1.00 0.00 H new ATOM 308 N ILE A 20 58.771 5.533 5.213 1.00 0.00 N ATOM 309 CA ILE A 20 59.765 4.838 4.366 1.00 0.00 C ATOM 310 C ILE A 20 60.592 5.902 3.652 1.00 0.00 C ATOM 311 O ILE A 20 61.806 5.877 3.671 1.00 0.00 O ATOM 312 CB ILE A 20 58.933 3.994 3.384 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.085 2.514 3.734 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.395 4.202 1.936 1.00 0.00 C ATOM 315 CD1 ILE A 20 57.949 2.079 4.663 1.00 0.00 C ATOM 0 H ILE A 20 57.860 5.683 4.780 1.00 0.00 H new ATOM 0 HA ILE A 20 60.456 4.200 4.916 1.00 0.00 H new ATOM 0 HB ILE A 20 57.893 4.308 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.073 1.913 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.047 2.342 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.787 3.591 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.286 5.253 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 20 60.441 3.910 1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.064 1.023 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 20 57.981 2.670 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 20 56.992 2.234 4.165 1.00 0.00 H new ATOM 327 N ARG A 21 59.943 6.853 3.035 1.00 0.00 N ATOM 328 CA ARG A 21 60.726 7.911 2.350 1.00 0.00 C ATOM 329 C ARG A 21 61.510 8.648 3.426 1.00 0.00 C ATOM 330 O ARG A 21 62.668 8.967 3.263 1.00 0.00 O ATOM 331 CB ARG A 21 59.710 8.814 1.630 1.00 0.00 C ATOM 332 CG ARG A 21 59.020 9.759 2.615 1.00 0.00 C ATOM 333 CD ARG A 21 59.955 10.920 2.963 1.00 0.00 C ATOM 334 NE ARG A 21 59.312 12.125 2.368 1.00 0.00 N ATOM 335 CZ ARG A 21 59.974 13.246 2.288 1.00 0.00 C ATOM 336 NH1 ARG A 21 60.363 13.853 3.377 1.00 0.00 N ATOM 337 NH2 ARG A 21 60.249 13.760 1.120 1.00 0.00 N ATOM 0 H ARG A 21 58.928 6.940 2.978 1.00 0.00 H new ATOM 0 HA ARG A 21 61.434 7.534 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 21 60.217 9.394 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.964 8.199 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 21 58.097 10.142 2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.745 9.218 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 21 60.069 11.025 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.952 10.761 2.552 1.00 0.00 H new ATOM 0 HE ARG A 21 58.354 12.073 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 21 60.149 13.450 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 21 60.881 14.730 3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 21 59.946 13.285 0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 21 60.767 14.637 1.058 1.00 0.00 H new ATOM 351 N LYS A 22 60.891 8.864 4.552 1.00 0.00 N ATOM 352 CA LYS A 22 61.586 9.524 5.680 1.00 0.00 C ATOM 353 C LYS A 22 62.908 8.797 5.939 1.00 0.00 C ATOM 354 O LYS A 22 63.953 9.395 6.073 1.00 0.00 O ATOM 355 CB LYS A 22 60.629 9.350 6.867 1.00 0.00 C ATOM 356 CG LYS A 22 61.398 9.506 8.183 1.00 0.00 C ATOM 357 CD LYS A 22 62.271 10.763 8.132 1.00 0.00 C ATOM 358 CE LYS A 22 61.408 11.993 8.420 1.00 0.00 C ATOM 359 NZ LYS A 22 62.224 12.827 9.345 1.00 0.00 N ATOM 0 H LYS A 22 59.921 8.607 4.737 1.00 0.00 H new ATOM 0 HA LYS A 22 61.819 10.573 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.830 10.089 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.158 8.368 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.699 9.572 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.020 8.628 8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.076 10.690 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.739 10.855 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.173 12.534 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.459 11.711 8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.096 13.832 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 61.919 12.659 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.228 12.574 9.247 1.00 0.00 H new ATOM 373 N ALA A 23 62.851 7.500 6.006 1.00 0.00 N ATOM 374 CA ALA A 23 64.082 6.698 6.254 1.00 0.00 C ATOM 375 C ALA A 23 65.054 6.806 5.074 1.00 0.00 C ATOM 376 O ALA A 23 66.255 6.755 5.248 1.00 0.00 O ATOM 377 CB ALA A 23 63.577 5.270 6.398 1.00 0.00 C ATOM 0 H ALA A 23 61.997 6.953 5.899 1.00 0.00 H new ATOM 0 HA ALA A 23 64.629 7.042 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.419 4.603 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.878 5.214 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.072 4.969 5.481 1.00 0.00 H new ATOM 383 N TYR A 24 64.554 6.975 3.879 1.00 0.00 N ATOM 384 CA TYR A 24 65.458 7.105 2.715 1.00 0.00 C ATOM 385 C TYR A 24 65.922 8.547 2.655 1.00 0.00 C ATOM 386 O TYR A 24 67.083 8.835 2.495 1.00 0.00 O ATOM 387 CB TYR A 24 64.604 6.746 1.493 1.00 0.00 C ATOM 388 CG TYR A 24 65.446 6.824 0.241 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.775 6.384 0.262 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.897 7.334 -0.942 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.555 6.455 -0.899 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.677 7.406 -2.103 1.00 0.00 C ATOM 393 CZ TYR A 24 67.005 6.967 -2.082 1.00 0.00 C ATOM 394 OH TYR A 24 67.773 7.038 -3.226 1.00 0.00 O ATOM 0 H TYR A 24 63.558 7.028 3.665 1.00 0.00 H new ATOM 0 HA TYR A 24 66.337 6.463 2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.195 5.742 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.757 7.428 1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.199 5.990 1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.871 7.672 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.580 6.115 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.253 7.801 -3.015 1.00 0.00 H new ATOM 0 HH TYR A 24 68.137 6.152 -3.431 1.00 0.00 H new ATOM 404 N LYS A 25 65.013 9.458 2.826 1.00 0.00 N ATOM 405 CA LYS A 25 65.385 10.886 2.813 1.00 0.00 C ATOM 406 C LYS A 25 66.190 11.208 4.077 1.00 0.00 C ATOM 407 O LYS A 25 66.765 12.267 4.211 1.00 0.00 O ATOM 408 CB LYS A 25 64.025 11.591 2.749 1.00 0.00 C ATOM 409 CG LYS A 25 63.949 12.761 3.727 1.00 0.00 C ATOM 410 CD LYS A 25 63.356 12.245 5.031 1.00 0.00 C ATOM 411 CE LYS A 25 63.754 13.166 6.187 1.00 0.00 C ATOM 412 NZ LYS A 25 63.032 14.442 5.925 1.00 0.00 N ATOM 0 H LYS A 25 64.022 9.270 2.975 1.00 0.00 H new ATOM 0 HA LYS A 25 66.025 11.197 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.849 11.952 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.234 10.876 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 25 64.941 13.180 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.332 13.561 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.270 12.195 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 25 63.708 11.232 5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 25 63.467 12.740 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 25 64.833 13.321 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 63.028 15.022 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 63.510 14.961 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 62.053 14.235 5.642 1.00 0.00 H new ATOM 426 N ARG A 26 66.255 10.284 4.998 1.00 0.00 N ATOM 427 CA ARG A 26 67.042 10.530 6.236 1.00 0.00 C ATOM 428 C ARG A 26 68.500 10.125 6.016 1.00 0.00 C ATOM 429 O ARG A 26 69.408 10.897 6.235 1.00 0.00 O ATOM 430 CB ARG A 26 66.398 9.656 7.301 1.00 0.00 C ATOM 431 CG ARG A 26 65.477 10.526 8.150 1.00 0.00 C ATOM 432 CD ARG A 26 65.372 9.939 9.556 1.00 0.00 C ATOM 433 NE ARG A 26 66.726 10.122 10.146 1.00 0.00 N ATOM 434 CZ ARG A 26 66.964 9.729 11.366 1.00 0.00 C ATOM 435 NH1 ARG A 26 66.551 8.558 11.767 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.617 10.507 12.184 1.00 0.00 N ATOM 0 H ARG A 26 65.798 9.374 4.945 1.00 0.00 H new ATOM 0 HA ARG A 26 67.041 11.581 6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 26 65.833 8.847 6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.163 9.193 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.864 11.544 8.198 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.489 10.581 7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 26 64.612 10.453 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 26 65.093 8.886 9.525 1.00 0.00 H new ATOM 0 HE ARG A 26 67.468 10.555 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 26 66.042 7.950 11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 26 66.737 8.251 12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 26 67.941 11.422 11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 26 67.804 10.201 13.139 1.00 0.00 H new ATOM 450 N LEU A 27 68.731 8.919 5.579 1.00 0.00 N ATOM 451 CA LEU A 27 70.130 8.477 5.331 1.00 0.00 C ATOM 452 C LEU A 27 70.601 9.016 3.985 1.00 0.00 C ATOM 453 O LEU A 27 71.724 9.446 3.824 1.00 0.00 O ATOM 454 CB LEU A 27 70.081 6.935 5.346 1.00 0.00 C ATOM 455 CG LEU A 27 69.964 6.337 3.931 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.492 4.903 3.949 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.500 6.323 3.494 1.00 0.00 C ATOM 0 H LEU A 27 68.013 8.222 5.383 1.00 0.00 H new ATOM 0 HA LEU A 27 70.832 8.846 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.980 6.550 5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.233 6.607 5.947 1.00 0.00 H new ATOM 0 HG LEU A 27 70.544 6.942 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 27 70.412 4.473 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 27 71.536 4.904 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 27 69.905 4.308 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.423 5.899 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 27 67.918 5.718 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 27 68.113 7.342 3.487 1.00 0.00 H new ATOM 469 N ALA A 28 69.737 8.963 3.015 1.00 0.00 N ATOM 470 CA ALA A 28 70.095 9.430 1.656 1.00 0.00 C ATOM 471 C ALA A 28 70.367 10.933 1.641 1.00 0.00 C ATOM 472 O ALA A 28 71.279 11.386 0.979 1.00 0.00 O ATOM 473 CB ALA A 28 68.881 9.066 0.809 1.00 0.00 C ATOM 0 H ALA A 28 68.785 8.610 3.110 1.00 0.00 H new ATOM 0 HA ALA A 28 71.011 8.972 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.051 9.374 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.723 7.988 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.000 9.575 1.199 1.00 0.00 H new ATOM 479 N MET A 29 69.624 11.721 2.369 1.00 0.00 N ATOM 480 CA MET A 29 69.934 13.176 2.354 1.00 0.00 C ATOM 481 C MET A 29 71.377 13.350 2.818 1.00 0.00 C ATOM 482 O MET A 29 72.094 14.209 2.351 1.00 0.00 O ATOM 483 CB MET A 29 68.958 13.836 3.328 1.00 0.00 C ATOM 484 CG MET A 29 69.283 13.394 4.751 1.00 0.00 C ATOM 485 SD MET A 29 68.043 14.057 5.891 1.00 0.00 S ATOM 486 CE MET A 29 69.195 14.651 7.156 1.00 0.00 C ATOM 0 H MET A 29 68.841 11.433 2.955 1.00 0.00 H new ATOM 0 HA MET A 29 69.831 13.625 1.366 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.026 14.921 3.248 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.934 13.561 3.075 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.300 12.306 4.809 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.276 13.744 5.034 1.00 0.00 H new ATOM 0 HE1 MET A 29 68.893 15.645 7.485 1.00 0.00 H new ATOM 0 HE2 MET A 29 69.186 13.969 8.006 1.00 0.00 H new ATOM 0 HE3 MET A 29 70.201 14.697 6.739 1.00 0.00 H new ATOM 496 N LYS A 30 71.811 12.507 3.716 1.00 0.00 N ATOM 497 CA LYS A 30 73.217 12.576 4.199 1.00 0.00 C ATOM 498 C LYS A 30 74.105 11.715 3.293 1.00 0.00 C ATOM 499 O LYS A 30 75.316 11.816 3.313 1.00 0.00 O ATOM 500 CB LYS A 30 73.183 12.003 5.617 1.00 0.00 C ATOM 501 CG LYS A 30 72.691 13.071 6.596 1.00 0.00 C ATOM 502 CD LYS A 30 71.708 12.442 7.586 1.00 0.00 C ATOM 503 CE LYS A 30 72.480 11.786 8.732 1.00 0.00 C ATOM 504 NZ LYS A 30 72.666 12.868 9.738 1.00 0.00 N ATOM 0 H LYS A 30 71.247 11.769 4.137 1.00 0.00 H new ATOM 0 HA LYS A 30 73.617 13.590 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.526 11.134 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 30 74.177 11.663 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.535 13.505 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.207 13.882 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.034 13.204 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.091 11.700 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 30 71.926 10.947 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 30 73.438 11.396 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 73.189 12.495 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 73.203 13.650 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 71.737 13.215 10.050 1.00 0.00 H new ATOM 518 N TYR A 31 73.503 10.861 2.502 1.00 0.00 N ATOM 519 CA TYR A 31 74.304 9.980 1.596 1.00 0.00 C ATOM 520 C TYR A 31 74.247 10.491 0.162 1.00 0.00 C ATOM 521 O TYR A 31 74.641 9.814 -0.762 1.00 0.00 O ATOM 522 CB TYR A 31 73.646 8.608 1.682 1.00 0.00 C ATOM 523 CG TYR A 31 74.487 7.690 2.533 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.883 7.728 2.438 1.00 0.00 C ATOM 525 CD2 TYR A 31 73.870 6.804 3.420 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.661 6.879 3.231 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.645 5.954 4.213 1.00 0.00 C ATOM 528 CZ TYR A 31 76.043 5.991 4.120 1.00 0.00 C ATOM 529 OH TYR A 31 76.809 5.154 4.905 1.00 0.00 O ATOM 0 H TYR A 31 72.492 10.736 2.444 1.00 0.00 H new ATOM 0 HA TYR A 31 75.354 9.955 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.647 8.700 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.529 8.187 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 31 76.359 8.413 1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 31 72.793 6.776 3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.738 6.908 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 31 74.167 5.269 4.897 1.00 0.00 H new ATOM 0 HH TYR A 31 76.223 4.604 5.465 1.00 0.00 H new ATOM 539 N HIS A 32 73.756 11.677 -0.008 1.00 0.00 N ATOM 540 CA HIS A 32 73.648 12.304 -1.357 1.00 0.00 C ATOM 541 C HIS A 32 75.008 12.290 -2.076 1.00 0.00 C ATOM 542 O HIS A 32 75.792 11.396 -1.842 1.00 0.00 O ATOM 543 CB HIS A 32 73.135 13.691 -0.986 1.00 0.00 C ATOM 544 CG HIS A 32 74.213 14.432 -0.232 1.00 0.00 C ATOM 545 ND1 HIS A 32 74.047 14.814 1.090 1.00 0.00 N ATOM 546 CD2 HIS A 32 75.476 14.850 -0.583 1.00 0.00 C ATOM 547 CE1 HIS A 32 75.175 15.432 1.481 1.00 0.00 C ATOM 548 NE2 HIS A 32 76.078 15.483 0.501 1.00 0.00 N ATOM 0 H HIS A 32 73.412 12.262 0.754 1.00 0.00 H new ATOM 0 HA HIS A 32 72.997 11.800 -2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 32 72.858 14.242 -1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.237 13.608 -0.374 1.00 0.00 H new ATOM 0 HD1 HIS A 32 73.218 14.655 1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 32 75.931 14.709 -1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 32 75.331 15.838 2.469 1.00 0.00 H new ATOM 556 N PRO A 33 75.277 13.233 -2.954 1.00 0.00 N ATOM 557 CA PRO A 33 76.573 13.196 -3.671 1.00 0.00 C ATOM 558 C PRO A 33 77.728 13.467 -2.706 1.00 0.00 C ATOM 559 O PRO A 33 78.564 14.322 -2.927 1.00 0.00 O ATOM 560 CB PRO A 33 76.437 14.272 -4.741 1.00 0.00 C ATOM 561 CG PRO A 33 75.393 15.197 -4.221 1.00 0.00 C ATOM 562 CD PRO A 33 74.470 14.391 -3.359 1.00 0.00 C ATOM 0 HA PRO A 33 76.796 12.225 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.382 14.792 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.143 13.842 -5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.847 16.005 -3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 33 74.846 15.659 -5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.131 14.962 -2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 33 73.579 14.084 -3.907 1.00 0.00 H new ATOM 570 N ASP A 34 77.786 12.700 -1.655 1.00 0.00 N ATOM 571 CA ASP A 34 78.883 12.827 -0.662 1.00 0.00 C ATOM 572 C ASP A 34 79.782 11.612 -0.840 1.00 0.00 C ATOM 573 O ASP A 34 80.990 11.679 -0.724 1.00 0.00 O ATOM 574 CB ASP A 34 78.201 12.800 0.709 1.00 0.00 C ATOM 575 CG ASP A 34 77.640 11.403 0.977 1.00 0.00 C ATOM 576 OD1 ASP A 34 76.862 10.933 0.165 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.994 10.829 1.994 1.00 0.00 O ATOM 0 H ASP A 34 77.102 11.974 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 34 79.479 13.733 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.915 13.071 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.399 13.537 0.742 1.00 0.00 H new ATOM 582 N ARG A 35 79.174 10.501 -1.153 1.00 0.00 N ATOM 583 CA ARG A 35 79.934 9.256 -1.385 1.00 0.00 C ATOM 584 C ARG A 35 79.350 8.553 -2.614 1.00 0.00 C ATOM 585 O ARG A 35 80.052 7.866 -3.330 1.00 0.00 O ATOM 586 CB ARG A 35 79.726 8.424 -0.122 1.00 0.00 C ATOM 587 CG ARG A 35 78.234 8.162 0.064 1.00 0.00 C ATOM 588 CD ARG A 35 77.820 7.001 -0.828 1.00 0.00 C ATOM 589 NE ARG A 35 77.509 5.885 0.112 1.00 0.00 N ATOM 590 CZ ARG A 35 76.273 5.619 0.444 1.00 0.00 C ATOM 591 NH1 ARG A 35 75.317 6.463 0.164 1.00 0.00 N ATOM 592 NH2 ARG A 35 75.995 4.506 1.065 1.00 0.00 N ATOM 0 H ARG A 35 78.164 10.409 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 35 80.995 9.422 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.266 7.481 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.126 8.950 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.020 7.930 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.661 9.054 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 35 76.952 7.259 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.620 6.727 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 35 78.268 5.324 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 35 75.532 7.336 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 35 74.355 6.249 0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 35 76.741 3.847 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 35 75.032 4.294 1.326 1.00 0.00 H new ATOM 606 N ASN A 36 78.065 8.726 -2.873 1.00 0.00 N ATOM 607 CA ASN A 36 77.454 8.075 -4.065 1.00 0.00 C ATOM 608 C ASN A 36 78.419 8.168 -5.244 1.00 0.00 C ATOM 609 O ASN A 36 78.451 7.318 -6.112 1.00 0.00 O ATOM 610 CB ASN A 36 76.197 8.895 -4.362 1.00 0.00 C ATOM 611 CG ASN A 36 75.158 8.727 -3.250 1.00 0.00 C ATOM 612 OD1 ASN A 36 74.357 9.611 -3.025 1.00 0.00 O ATOM 613 ND2 ASN A 36 75.119 7.623 -2.555 1.00 0.00 N ATOM 0 H ASN A 36 77.427 9.287 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 36 77.229 7.022 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 36 76.460 9.948 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.770 8.581 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 36 74.417 7.505 -1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 36 75.791 6.879 -2.742 1.00 0.00 H new ATOM 620 N GLN A 37 79.210 9.205 -5.272 1.00 0.00 N ATOM 621 CA GLN A 37 80.187 9.377 -6.382 1.00 0.00 C ATOM 622 C GLN A 37 81.025 8.105 -6.536 1.00 0.00 C ATOM 623 O GLN A 37 81.598 7.847 -7.576 1.00 0.00 O ATOM 624 CB GLN A 37 81.064 10.558 -5.957 1.00 0.00 C ATOM 625 CG GLN A 37 80.180 11.713 -5.473 1.00 0.00 C ATOM 626 CD GLN A 37 80.565 12.998 -6.208 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.527 13.052 -7.422 1.00 0.00 O ATOM 628 NE2 GLN A 37 80.937 14.043 -5.521 1.00 0.00 N ATOM 0 H GLN A 37 79.221 9.944 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 37 79.704 9.559 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.744 10.251 -5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 37 81.680 10.885 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 37 79.130 11.480 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 37 80.298 11.848 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 37 80.969 13.999 -4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 37 81.196 14.904 -6.002 1.00 0.00 H new ATOM 637 N GLY A 38 81.091 7.306 -5.505 1.00 0.00 N ATOM 638 CA GLY A 38 81.881 6.045 -5.587 1.00 0.00 C ATOM 639 C GLY A 38 80.921 4.857 -5.561 1.00 0.00 C ATOM 640 O GLY A 38 81.124 3.893 -4.848 1.00 0.00 O ATOM 0 H GLY A 38 80.632 7.473 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.474 6.030 -6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 38 82.580 5.983 -4.753 1.00 0.00 H new ATOM 644 N ASP A 39 79.869 4.924 -6.329 1.00 0.00 N ATOM 645 CA ASP A 39 78.882 3.809 -6.349 1.00 0.00 C ATOM 646 C ASP A 39 79.269 2.762 -7.399 1.00 0.00 C ATOM 647 O ASP A 39 78.605 2.599 -8.404 1.00 0.00 O ATOM 648 CB ASP A 39 77.555 4.478 -6.705 1.00 0.00 C ATOM 649 CG ASP A 39 77.681 5.182 -8.059 1.00 0.00 C ATOM 650 OD1 ASP A 39 78.590 5.982 -8.205 1.00 0.00 O ATOM 651 OD2 ASP A 39 76.866 4.908 -8.924 1.00 0.00 O ATOM 0 H ASP A 39 79.650 5.706 -6.946 1.00 0.00 H new ATOM 0 HA ASP A 39 78.833 3.280 -5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 39 76.760 3.734 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 39 77.281 5.198 -5.934 1.00 0.00 H new ATOM 656 N LYS A 40 80.338 2.048 -7.169 1.00 0.00 N ATOM 657 CA LYS A 40 80.773 1.005 -8.145 1.00 0.00 C ATOM 658 C LYS A 40 80.082 -0.328 -7.837 1.00 0.00 C ATOM 659 O LYS A 40 80.505 -1.377 -8.280 1.00 0.00 O ATOM 660 CB LYS A 40 82.281 0.879 -7.936 1.00 0.00 C ATOM 661 CG LYS A 40 83.020 1.725 -8.975 1.00 0.00 C ATOM 662 CD LYS A 40 84.173 2.470 -8.299 1.00 0.00 C ATOM 663 CE LYS A 40 85.347 2.589 -9.273 1.00 0.00 C ATOM 664 NZ LYS A 40 86.432 1.767 -8.668 1.00 0.00 N ATOM 0 H LYS A 40 80.931 2.142 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 40 80.519 1.268 -9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 40 82.547 1.207 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 40 82.583 -0.165 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 40 83.402 1.088 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 40 82.334 2.436 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 40 83.845 3.461 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 40 84.485 1.939 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 40 85.078 2.221 -10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 40 85.658 3.627 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 87.273 1.798 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 86.672 2.145 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 86.110 0.783 -8.573 1.00 0.00 H new ATOM 678 N GLU A 41 79.030 -0.292 -7.069 1.00 0.00 N ATOM 679 CA GLU A 41 78.313 -1.552 -6.711 1.00 0.00 C ATOM 680 C GLU A 41 77.174 -1.225 -5.746 1.00 0.00 C ATOM 681 O GLU A 41 76.023 -1.504 -6.012 1.00 0.00 O ATOM 682 CB GLU A 41 79.356 -2.454 -6.033 1.00 0.00 C ATOM 683 CG GLU A 41 80.441 -1.605 -5.359 1.00 0.00 C ATOM 684 CD GLU A 41 80.924 -2.305 -4.086 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.084 -3.514 -4.123 1.00 0.00 O ATOM 686 OE2 GLU A 41 81.126 -1.620 -3.097 1.00 0.00 O ATOM 0 H GLU A 41 78.632 0.559 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 41 77.880 -2.044 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 41 78.870 -3.089 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 41 79.809 -3.115 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.276 -1.455 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 41 80.046 -0.618 -5.116 1.00 0.00 H new ATOM 693 N ALA A 42 77.486 -0.604 -4.640 1.00 0.00 N ATOM 694 CA ALA A 42 76.422 -0.227 -3.677 1.00 0.00 C ATOM 695 C ALA A 42 75.465 0.747 -4.359 1.00 0.00 C ATOM 696 O ALA A 42 74.385 1.014 -3.870 1.00 0.00 O ATOM 697 CB ALA A 42 77.156 0.458 -2.524 1.00 0.00 C ATOM 0 H ALA A 42 78.433 -0.343 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 42 75.838 -1.079 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.436 0.768 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.870 -0.238 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.687 1.333 -2.899 1.00 0.00 H new ATOM 703 N GLU A 43 75.861 1.278 -5.492 1.00 0.00 N ATOM 704 CA GLU A 43 74.974 2.237 -6.218 1.00 0.00 C ATOM 705 C GLU A 43 73.534 1.811 -6.115 1.00 0.00 C ATOM 706 O GLU A 43 72.629 2.619 -6.042 1.00 0.00 O ATOM 707 CB GLU A 43 75.356 2.140 -7.693 1.00 0.00 C ATOM 708 CG GLU A 43 74.929 0.781 -8.263 1.00 0.00 C ATOM 709 CD GLU A 43 75.519 0.606 -9.663 1.00 0.00 C ATOM 710 OE1 GLU A 43 76.044 1.574 -10.188 1.00 0.00 O ATOM 711 OE2 GLU A 43 75.435 -0.493 -10.186 1.00 0.00 O ATOM 0 H GLU A 43 76.756 1.089 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 43 75.088 3.238 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 43 74.878 2.944 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 76.432 2.268 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 43 75.270 -0.022 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.842 0.718 -8.305 1.00 0.00 H new ATOM 718 N ALA A 44 73.310 0.540 -6.183 1.00 0.00 N ATOM 719 CA ALA A 44 71.930 0.070 -6.172 1.00 0.00 C ATOM 720 C ALA A 44 71.296 0.289 -4.806 1.00 0.00 C ATOM 721 O ALA A 44 70.214 0.824 -4.705 1.00 0.00 O ATOM 722 CB ALA A 44 71.993 -1.414 -6.526 1.00 0.00 C ATOM 0 H ALA A 44 74.025 -0.184 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 44 71.312 0.617 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.985 -1.829 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.444 -1.534 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 44 72.595 -1.940 -5.785 1.00 0.00 H new ATOM 728 N LYS A 45 71.955 -0.113 -3.752 1.00 0.00 N ATOM 729 CA LYS A 45 71.363 0.094 -2.403 1.00 0.00 C ATOM 730 C LYS A 45 70.752 1.493 -2.334 1.00 0.00 C ATOM 731 O LYS A 45 69.806 1.733 -1.616 1.00 0.00 O ATOM 732 CB LYS A 45 72.518 -0.038 -1.414 1.00 0.00 C ATOM 733 CG LYS A 45 72.077 0.531 -0.063 1.00 0.00 C ATOM 734 CD LYS A 45 73.244 0.479 0.924 1.00 0.00 C ATOM 735 CE LYS A 45 72.717 0.669 2.349 1.00 0.00 C ATOM 736 NZ LYS A 45 71.716 -0.418 2.539 1.00 0.00 N ATOM 0 H LYS A 45 72.867 -0.570 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 45 70.575 -0.626 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.806 -1.084 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.393 0.498 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.736 1.559 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.234 -0.040 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.762 -0.476 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.970 1.257 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 45 73.522 0.596 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 45 72.261 1.651 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 71.746 -0.749 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 70.765 -0.056 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 71.937 -1.209 1.901 1.00 0.00 H new ATOM 750 N PHE A 46 71.282 2.412 -3.097 1.00 0.00 N ATOM 751 CA PHE A 46 70.730 3.795 -3.094 1.00 0.00 C ATOM 752 C PHE A 46 69.334 3.802 -3.712 1.00 0.00 C ATOM 753 O PHE A 46 68.389 4.282 -3.118 1.00 0.00 O ATOM 754 CB PHE A 46 71.703 4.617 -3.944 1.00 0.00 C ATOM 755 CG PHE A 46 73.105 4.476 -3.398 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.306 4.094 -2.065 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.205 4.726 -4.226 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.605 3.965 -1.563 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.505 4.597 -3.723 1.00 0.00 C ATOM 760 CZ PHE A 46 75.705 4.215 -2.391 1.00 0.00 C ATOM 0 H PHE A 46 72.074 2.263 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 46 70.634 4.201 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.671 4.279 -4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.406 5.666 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.458 3.899 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.051 5.019 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.759 3.672 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.353 4.792 -4.362 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.708 4.113 -2.003 1.00 0.00 H new ATOM 770 N LYS A 47 69.182 3.259 -4.890 1.00 0.00 N ATOM 771 CA LYS A 47 67.826 3.232 -5.505 1.00 0.00 C ATOM 772 C LYS A 47 67.088 2.003 -4.984 1.00 0.00 C ATOM 773 O LYS A 47 65.881 1.995 -4.851 1.00 0.00 O ATOM 774 CB LYS A 47 68.061 3.186 -7.027 1.00 0.00 C ATOM 775 CG LYS A 47 67.896 1.760 -7.574 1.00 0.00 C ATOM 776 CD LYS A 47 69.090 0.907 -7.148 1.00 0.00 C ATOM 777 CE LYS A 47 69.670 0.197 -8.379 1.00 0.00 C ATOM 778 NZ LYS A 47 68.487 -0.317 -9.125 1.00 0.00 N ATOM 0 H LYS A 47 69.927 2.839 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 47 67.212 4.098 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.358 3.853 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.063 3.551 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.971 1.321 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.822 1.783 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.851 1.533 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.781 0.174 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.254 0.884 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.336 -0.615 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.702 -1.259 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 67.673 -0.384 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.259 0.332 -9.905 1.00 0.00 H new ATOM 792 N GLU A 48 67.822 0.979 -4.647 1.00 0.00 N ATOM 793 CA GLU A 48 67.188 -0.239 -4.083 1.00 0.00 C ATOM 794 C GLU A 48 66.222 0.228 -3.019 1.00 0.00 C ATOM 795 O GLU A 48 65.123 -0.265 -2.869 1.00 0.00 O ATOM 796 CB GLU A 48 68.334 -1.008 -3.430 1.00 0.00 C ATOM 797 CG GLU A 48 69.137 -1.759 -4.490 1.00 0.00 C ATOM 798 CD GLU A 48 68.265 -2.845 -5.122 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.102 -2.928 -4.766 1.00 0.00 O ATOM 800 OE2 GLU A 48 68.778 -3.577 -5.953 1.00 0.00 O ATOM 0 H GLU A 48 68.837 0.936 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 48 66.662 -0.850 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.984 -0.318 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.939 -1.711 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.484 -1.066 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.023 -2.206 -4.040 1.00 0.00 H new ATOM 807 N ILE A 49 66.652 1.221 -2.302 1.00 0.00 N ATOM 808 CA ILE A 49 65.805 1.809 -1.240 1.00 0.00 C ATOM 809 C ILE A 49 64.643 2.542 -1.887 1.00 0.00 C ATOM 810 O ILE A 49 63.494 2.368 -1.535 1.00 0.00 O ATOM 811 CB ILE A 49 66.709 2.812 -0.547 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.826 2.071 0.184 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.898 3.648 0.438 1.00 0.00 C ATOM 814 CD1 ILE A 49 69.007 3.014 0.424 1.00 0.00 C ATOM 0 H ILE A 49 67.568 1.656 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 49 65.403 1.064 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 49 67.149 3.477 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.457 1.687 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 49 68.149 1.212 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.553 4.366 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 49 65.113 4.182 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.447 2.995 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.800 2.478 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.383 3.377 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.680 3.859 1.030 1.00 0.00 H new ATOM 826 N LYS A 50 64.954 3.361 -2.846 1.00 0.00 N ATOM 827 CA LYS A 50 63.888 4.124 -3.550 1.00 0.00 C ATOM 828 C LYS A 50 62.934 3.139 -4.227 1.00 0.00 C ATOM 829 O LYS A 50 61.754 3.391 -4.366 1.00 0.00 O ATOM 830 CB LYS A 50 64.625 4.970 -4.589 1.00 0.00 C ATOM 831 CG LYS A 50 63.631 5.469 -5.639 1.00 0.00 C ATOM 832 CD LYS A 50 63.656 4.531 -6.847 1.00 0.00 C ATOM 833 CE LYS A 50 63.374 5.327 -8.123 1.00 0.00 C ATOM 834 NZ LYS A 50 63.509 4.338 -9.228 1.00 0.00 N ATOM 0 H LYS A 50 65.903 3.537 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 50 63.295 4.747 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.114 5.815 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.408 4.380 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.627 5.509 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.888 6.483 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.627 4.041 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 50 62.911 3.745 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.376 5.764 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 50 64.080 6.149 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 63.330 4.808 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 64.471 3.944 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.820 3.571 -9.093 1.00 0.00 H new ATOM 848 N GLU A 51 63.446 2.010 -4.635 1.00 0.00 N ATOM 849 CA GLU A 51 62.585 0.987 -5.291 1.00 0.00 C ATOM 850 C GLU A 51 61.522 0.507 -4.301 1.00 0.00 C ATOM 851 O GLU A 51 60.361 0.405 -4.627 1.00 0.00 O ATOM 852 CB GLU A 51 63.543 -0.152 -5.652 1.00 0.00 C ATOM 853 CG GLU A 51 62.775 -1.277 -6.348 1.00 0.00 C ATOM 854 CD GLU A 51 63.661 -2.522 -6.435 1.00 0.00 C ATOM 855 OE1 GLU A 51 64.870 -2.370 -6.367 1.00 0.00 O ATOM 856 OE2 GLU A 51 63.117 -3.606 -6.568 1.00 0.00 O ATOM 0 H GLU A 51 64.428 1.752 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 51 62.061 1.368 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.333 0.219 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.026 -0.532 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.863 -1.505 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 51 62.473 -0.962 -7.347 1.00 0.00 H new ATOM 863 N ALA A 52 61.922 0.232 -3.089 1.00 0.00 N ATOM 864 CA ALA A 52 60.964 -0.237 -2.040 1.00 0.00 C ATOM 865 C ALA A 52 59.594 0.427 -2.199 1.00 0.00 C ATOM 866 O ALA A 52 58.577 -0.147 -1.866 1.00 0.00 O ATOM 867 CB ALA A 52 61.625 0.202 -0.737 1.00 0.00 C ATOM 0 H ALA A 52 62.889 0.313 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 52 60.779 -1.310 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 52 61.001 -0.095 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.603 -0.271 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.744 1.285 -0.737 1.00 0.00 H new ATOM 873 N TYR A 53 59.552 1.623 -2.699 1.00 0.00 N ATOM 874 CA TYR A 53 58.239 2.309 -2.863 1.00 0.00 C ATOM 875 C TYR A 53 57.327 1.484 -3.762 1.00 0.00 C ATOM 876 O TYR A 53 56.132 1.426 -3.568 1.00 0.00 O ATOM 877 CB TYR A 53 58.583 3.659 -3.487 1.00 0.00 C ATOM 878 CG TYR A 53 59.599 4.364 -2.613 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.942 3.839 -1.355 1.00 0.00 C ATOM 880 CD2 TYR A 53 60.206 5.536 -3.064 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.885 4.478 -0.561 1.00 0.00 C ATOM 882 CE2 TYR A 53 61.153 6.179 -2.264 1.00 0.00 C ATOM 883 CZ TYR A 53 61.496 5.651 -1.013 1.00 0.00 C ATOM 884 OH TYR A 53 62.434 6.290 -0.226 1.00 0.00 O ATOM 0 H TYR A 53 60.365 2.159 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 53 57.702 2.433 -1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.984 3.518 -4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.684 4.268 -3.585 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.469 2.934 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.944 5.945 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 53 61.146 4.069 0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.623 7.087 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 53 63.332 6.109 -0.575 1.00 0.00 H new ATOM 894 N GLU A 54 57.883 0.804 -4.717 1.00 0.00 N ATOM 895 CA GLU A 54 57.039 -0.048 -5.590 1.00 0.00 C ATOM 896 C GLU A 54 56.290 -1.038 -4.718 1.00 0.00 C ATOM 897 O GLU A 54 55.324 -1.651 -5.127 1.00 0.00 O ATOM 898 CB GLU A 54 58.021 -0.807 -6.469 1.00 0.00 C ATOM 899 CG GLU A 54 59.057 -1.491 -5.580 1.00 0.00 C ATOM 900 CD GLU A 54 58.860 -3.009 -5.631 1.00 0.00 C ATOM 901 OE1 GLU A 54 57.767 -3.454 -5.324 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.807 -3.699 -5.974 1.00 0.00 O ATOM 0 H GLU A 54 58.880 0.800 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 54 56.320 0.527 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 54 57.494 -1.547 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 58.512 -0.124 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 54 60.063 -1.234 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 54 58.961 -1.136 -4.554 1.00 0.00 H new ATOM 909 N VAL A 55 56.769 -1.227 -3.524 1.00 0.00 N ATOM 910 CA VAL A 55 56.139 -2.208 -2.627 1.00 0.00 C ATOM 911 C VAL A 55 55.320 -1.518 -1.522 1.00 0.00 C ATOM 912 O VAL A 55 54.134 -1.742 -1.386 1.00 0.00 O ATOM 913 CB VAL A 55 57.344 -2.996 -2.078 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.416 -2.927 -0.560 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.241 -4.456 -2.502 1.00 0.00 C ATOM 0 H VAL A 55 57.575 -0.737 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 55 55.414 -2.853 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 55 58.248 -2.544 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.279 -3.494 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.515 -1.887 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.506 -3.350 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.095 -5.009 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.320 -4.885 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.234 -4.519 -3.590 1.00 0.00 H new ATOM 925 N LEU A 56 55.944 -0.716 -0.711 1.00 0.00 N ATOM 926 CA LEU A 56 55.183 -0.069 0.405 1.00 0.00 C ATOM 927 C LEU A 56 54.299 1.087 -0.074 1.00 0.00 C ATOM 928 O LEU A 56 53.276 1.365 0.519 1.00 0.00 O ATOM 929 CB LEU A 56 56.245 0.432 1.362 1.00 0.00 C ATOM 930 CG LEU A 56 57.227 1.293 0.590 1.00 0.00 C ATOM 931 CD1 LEU A 56 57.090 2.737 1.059 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.640 0.773 0.849 1.00 0.00 C ATOM 0 H LEU A 56 56.934 -0.478 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 56 54.497 -0.778 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.788 1.009 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.762 -0.408 1.826 1.00 0.00 H new ATOM 0 HG LEU A 56 57.023 1.250 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.792 3.366 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 56 56.073 3.084 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 56 57.308 2.795 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 59.358 1.382 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.858 0.827 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.713 -0.262 0.516 1.00 0.00 H new ATOM 944 N THR A 57 54.650 1.762 -1.136 1.00 0.00 N ATOM 945 CA THR A 57 53.770 2.876 -1.598 1.00 0.00 C ATOM 946 C THR A 57 52.717 2.320 -2.564 1.00 0.00 C ATOM 947 O THR A 57 52.180 3.021 -3.398 1.00 0.00 O ATOM 948 CB THR A 57 54.683 3.897 -2.291 1.00 0.00 C ATOM 949 OG1 THR A 57 55.041 3.422 -3.579 1.00 0.00 O ATOM 950 CG2 THR A 57 55.944 4.125 -1.447 1.00 0.00 C ATOM 0 H THR A 57 55.488 1.597 -1.693 1.00 0.00 H new ATOM 0 HA THR A 57 53.238 3.350 -0.773 1.00 0.00 H new ATOM 0 HB THR A 57 54.151 4.842 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.128 2.446 -3.555 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.588 4.850 -1.944 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.661 4.504 -0.465 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.480 3.183 -1.332 1.00 0.00 H new ATOM 958 N ASP A 58 52.411 1.055 -2.426 1.00 0.00 N ATOM 959 CA ASP A 58 51.384 0.412 -3.289 1.00 0.00 C ATOM 960 C ASP A 58 50.621 -0.592 -2.456 1.00 0.00 C ATOM 961 O ASP A 58 51.174 -1.537 -1.932 1.00 0.00 O ATOM 962 CB ASP A 58 52.157 -0.276 -4.412 1.00 0.00 C ATOM 963 CG ASP A 58 51.733 0.312 -5.759 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.577 0.681 -5.885 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.571 0.382 -6.642 1.00 0.00 O ATOM 0 H ASP A 58 52.839 0.434 -1.739 1.00 0.00 H new ATOM 0 HA ASP A 58 50.666 1.121 -3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.229 -0.141 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.966 -1.349 -4.395 1.00 0.00 H new ATOM 970 N SER A 59 49.357 -0.365 -2.300 1.00 0.00 N ATOM 971 CA SER A 59 48.546 -1.269 -1.463 1.00 0.00 C ATOM 972 C SER A 59 48.685 -2.733 -1.901 1.00 0.00 C ATOM 973 O SER A 59 48.297 -3.636 -1.188 1.00 0.00 O ATOM 974 CB SER A 59 47.109 -0.783 -1.628 1.00 0.00 C ATOM 975 OG SER A 59 46.983 0.510 -1.048 1.00 0.00 O ATOM 0 H SER A 59 48.848 0.413 -2.719 1.00 0.00 H new ATOM 0 HA SER A 59 48.872 -1.244 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.843 -0.748 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.420 -1.478 -1.149 1.00 0.00 H new ATOM 0 HG SER A 59 46.062 0.827 -1.153 1.00 0.00 H new ATOM 981 N GLN A 60 49.220 -2.980 -3.064 1.00 0.00 N ATOM 982 CA GLN A 60 49.361 -4.390 -3.531 1.00 0.00 C ATOM 983 C GLN A 60 50.489 -5.115 -2.780 1.00 0.00 C ATOM 984 O GLN A 60 50.297 -6.190 -2.247 1.00 0.00 O ATOM 985 CB GLN A 60 49.696 -4.276 -5.019 1.00 0.00 C ATOM 986 CG GLN A 60 48.954 -5.363 -5.799 1.00 0.00 C ATOM 987 CD GLN A 60 49.058 -5.079 -7.299 1.00 0.00 C ATOM 988 OE1 GLN A 60 48.236 -4.378 -7.855 1.00 0.00 O ATOM 989 NE2 GLN A 60 50.042 -5.597 -7.983 1.00 0.00 N ATOM 0 H GLN A 60 49.565 -2.270 -3.710 1.00 0.00 H new ATOM 0 HA GLN A 60 48.455 -4.968 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 60 49.414 -3.291 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 60 50.771 -4.377 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 60 49.379 -6.341 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 60 47.907 -5.392 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 60 50.733 -6.186 -7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 60 50.120 -5.413 -8.983 1.00 0.00 H new ATOM 998 N LYS A 61 51.665 -4.546 -2.746 1.00 0.00 N ATOM 999 CA LYS A 61 52.804 -5.221 -2.042 1.00 0.00 C ATOM 1000 C LYS A 61 52.696 -5.051 -0.526 1.00 0.00 C ATOM 1001 O LYS A 61 52.818 -6.007 0.215 1.00 0.00 O ATOM 1002 CB LYS A 61 54.082 -4.567 -2.580 1.00 0.00 C ATOM 1003 CG LYS A 61 53.914 -4.160 -4.055 1.00 0.00 C ATOM 1004 CD LYS A 61 53.245 -5.287 -4.857 1.00 0.00 C ATOM 1005 CE LYS A 61 54.306 -6.038 -5.665 1.00 0.00 C ATOM 1006 NZ LYS A 61 53.538 -6.841 -6.657 1.00 0.00 N ATOM 0 H LYS A 61 51.889 -3.647 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 61 52.800 -6.295 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 54.325 -3.689 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.918 -5.260 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 61 53.312 -3.253 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 61 54.888 -3.928 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 61 52.733 -5.973 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.489 -4.873 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 61 54.988 -5.347 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 61 54.911 -6.678 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.198 -7.385 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 52.902 -7.495 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 52.977 -6.205 -7.259 1.00 0.00 H new ATOM 1020 N ARG A 62 52.467 -3.863 -0.047 1.00 0.00 N ATOM 1021 CA ARG A 62 52.357 -3.691 1.429 1.00 0.00 C ATOM 1022 C ARG A 62 51.305 -4.660 1.966 1.00 0.00 C ATOM 1023 O ARG A 62 51.325 -5.048 3.118 1.00 0.00 O ATOM 1024 CB ARG A 62 51.932 -2.240 1.647 1.00 0.00 C ATOM 1025 CG ARG A 62 50.534 -2.024 1.069 1.00 0.00 C ATOM 1026 CD ARG A 62 49.792 -0.980 1.906 1.00 0.00 C ATOM 1027 NE ARG A 62 49.190 -1.749 3.030 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.565 -1.512 4.258 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.019 -0.537 4.932 1.00 0.00 N ATOM 1030 NH2 ARG A 62 50.486 -2.252 4.813 1.00 0.00 N ATOM 0 H ARG A 62 52.352 -3.015 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 62 53.292 -3.901 1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.937 -2.005 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.643 -1.566 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.604 -1.692 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.981 -2.963 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.472 -0.211 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.026 -0.474 1.318 1.00 0.00 H new ATOM 0 HE ARG A 62 48.485 -2.461 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 62 48.298 0.041 4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 62 49.313 -0.353 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 62 50.912 -3.015 4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 62 50.779 -2.067 5.772 1.00 0.00 H new ATOM 1044 N ALA A 63 50.404 -5.073 1.122 1.00 0.00 N ATOM 1045 CA ALA A 63 49.364 -6.042 1.553 1.00 0.00 C ATOM 1046 C ALA A 63 49.928 -7.445 1.368 1.00 0.00 C ATOM 1047 O ALA A 63 49.516 -8.393 2.007 1.00 0.00 O ATOM 1048 CB ALA A 63 48.171 -5.802 0.625 1.00 0.00 C ATOM 0 H ALA A 63 50.344 -4.779 0.147 1.00 0.00 H new ATOM 0 HA ALA A 63 49.066 -5.928 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.363 -6.485 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.826 -4.774 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.473 -5.976 -0.408 1.00 0.00 H new ATOM 1054 N ALA A 64 50.898 -7.565 0.504 1.00 0.00 N ATOM 1055 CA ALA A 64 51.539 -8.882 0.271 1.00 0.00 C ATOM 1056 C ALA A 64 52.651 -9.069 1.300 1.00 0.00 C ATOM 1057 O ALA A 64 52.791 -10.116 1.900 1.00 0.00 O ATOM 1058 CB ALA A 64 52.114 -8.796 -1.141 1.00 0.00 C ATOM 0 H ALA A 64 51.274 -6.798 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 64 50.851 -9.722 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 64 52.607 -9.735 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 64 51.308 -8.609 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.837 -7.982 -1.190 1.00 0.00 H new ATOM 1064 N TYR A 65 53.435 -8.046 1.521 1.00 0.00 N ATOM 1065 CA TYR A 65 54.525 -8.152 2.525 1.00 0.00 C ATOM 1066 C TYR A 65 53.928 -8.448 3.900 1.00 0.00 C ATOM 1067 O TYR A 65 54.388 -9.318 4.613 1.00 0.00 O ATOM 1068 CB TYR A 65 55.203 -6.784 2.519 1.00 0.00 C ATOM 1069 CG TYR A 65 56.675 -6.960 2.806 1.00 0.00 C ATOM 1070 CD1 TYR A 65 57.505 -7.573 1.861 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.207 -6.516 4.022 1.00 0.00 C ATOM 1072 CE1 TYR A 65 58.869 -7.741 2.132 1.00 0.00 C ATOM 1073 CE2 TYR A 65 58.571 -6.683 4.293 1.00 0.00 C ATOM 1074 CZ TYR A 65 59.401 -7.295 3.346 1.00 0.00 C ATOM 1075 OH TYR A 65 60.745 -7.460 3.612 1.00 0.00 O ATOM 0 H TYR A 65 53.365 -7.145 1.049 1.00 0.00 H new ATOM 0 HA TYR A 65 55.229 -8.952 2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 65 55.064 -6.300 1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 65 54.749 -6.136 3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 65 57.094 -7.916 0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 65 56.565 -6.044 4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 65 59.510 -8.215 1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.982 -6.340 5.231 1.00 0.00 H new ATOM 0 HH TYR A 65 60.950 -7.094 4.498 1.00 0.00 H new ATOM 1085 N ASP A 66 52.899 -7.734 4.275 1.00 0.00 N ATOM 1086 CA ASP A 66 52.271 -7.984 5.602 1.00 0.00 C ATOM 1087 C ASP A 66 51.829 -9.451 5.699 1.00 0.00 C ATOM 1088 O ASP A 66 51.697 -10.002 6.773 1.00 0.00 O ATOM 1089 CB ASP A 66 51.067 -7.026 5.665 1.00 0.00 C ATOM 1090 CG ASP A 66 49.805 -7.711 5.129 1.00 0.00 C ATOM 1091 OD1 ASP A 66 49.323 -8.618 5.787 1.00 0.00 O ATOM 1092 OD2 ASP A 66 49.343 -7.317 4.072 1.00 0.00 O ATOM 0 H ASP A 66 52.469 -6.993 3.722 1.00 0.00 H new ATOM 0 HA ASP A 66 52.955 -7.809 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 66 50.904 -6.705 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 66 51.277 -6.130 5.081 1.00 0.00 H new ATOM 1097 N GLN A 67 51.598 -10.081 4.578 1.00 0.00 N ATOM 1098 CA GLN A 67 51.164 -11.507 4.595 1.00 0.00 C ATOM 1099 C GLN A 67 52.383 -12.429 4.535 1.00 0.00 C ATOM 1100 O GLN A 67 52.274 -13.628 4.695 1.00 0.00 O ATOM 1101 CB GLN A 67 50.303 -11.675 3.342 1.00 0.00 C ATOM 1102 CG GLN A 67 49.032 -10.837 3.481 1.00 0.00 C ATOM 1103 CD GLN A 67 48.123 -11.464 4.539 1.00 0.00 C ATOM 1104 OE1 GLN A 67 48.192 -12.651 4.789 1.00 0.00 O ATOM 1105 NE2 GLN A 67 47.267 -10.713 5.178 1.00 0.00 N ATOM 0 H GLN A 67 51.692 -9.668 3.650 1.00 0.00 H new ATOM 0 HA GLN A 67 50.616 -11.762 5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 67 50.862 -11.364 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 67 50.046 -12.725 3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 67 49.286 -9.815 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 67 48.512 -10.784 2.524 1.00 0.00 H new ATOM 0 HE21 GLN A 67 47.208 -9.716 4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 67 46.658 -11.123 5.886 1.00 0.00 H new ATOM 1114 N TYR A 68 53.544 -11.879 4.307 1.00 0.00 N ATOM 1115 CA TYR A 68 54.768 -12.727 4.236 1.00 0.00 C ATOM 1116 C TYR A 68 54.592 -13.818 3.180 1.00 0.00 C ATOM 1117 O TYR A 68 54.980 -14.953 3.373 1.00 0.00 O ATOM 1118 CB TYR A 68 54.897 -13.344 5.629 1.00 0.00 C ATOM 1119 CG TYR A 68 55.833 -12.506 6.464 1.00 0.00 C ATOM 1120 CD1 TYR A 68 57.171 -12.357 6.081 1.00 0.00 C ATOM 1121 CD2 TYR A 68 55.361 -11.875 7.621 1.00 0.00 C ATOM 1122 CE1 TYR A 68 58.037 -11.577 6.856 1.00 0.00 C ATOM 1123 CE2 TYR A 68 56.227 -11.096 8.396 1.00 0.00 C ATOM 1124 CZ TYR A 68 57.565 -10.946 8.013 1.00 0.00 C ATOM 1125 OH TYR A 68 58.420 -10.177 8.776 1.00 0.00 O ATOM 0 H TYR A 68 53.698 -10.880 4.167 1.00 0.00 H new ATOM 0 HA TYR A 68 55.654 -12.157 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 68 53.918 -13.400 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 68 55.274 -14.364 5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 68 57.535 -12.844 5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 68 54.328 -11.990 7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 68 59.070 -11.462 6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 68 55.863 -10.611 9.290 1.00 0.00 H new ATOM 0 HH TYR A 68 57.933 -9.810 9.543 1.00 0.00 H new ATOM 1135 N GLY A 69 54.003 -13.484 2.065 1.00 0.00 N ATOM 1136 CA GLY A 69 53.793 -14.501 0.998 1.00 0.00 C ATOM 1137 C GLY A 69 52.339 -14.969 1.040 1.00 0.00 C ATOM 1138 O GLY A 69 51.642 -14.761 2.013 1.00 0.00 O ATOM 0 H GLY A 69 53.658 -12.549 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 69 54.024 -14.076 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 69 54.465 -15.346 1.145 1.00 0.00 H new ATOM 1142 N HIS A 70 51.873 -15.597 -0.002 1.00 0.00 N ATOM 1143 CA HIS A 70 50.460 -16.071 -0.007 1.00 0.00 C ATOM 1144 C HIS A 70 50.309 -17.282 0.921 1.00 0.00 C ATOM 1145 O HIS A 70 49.227 -17.806 1.101 1.00 0.00 O ATOM 1146 CB HIS A 70 50.171 -16.455 -1.461 1.00 0.00 C ATOM 1147 CG HIS A 70 50.818 -17.776 -1.779 1.00 0.00 C ATOM 1148 ND1 HIS A 70 50.305 -18.638 -2.737 1.00 0.00 N ATOM 1149 CD2 HIS A 70 51.933 -18.398 -1.275 1.00 0.00 C ATOM 1150 CE1 HIS A 70 51.104 -19.719 -2.779 1.00 0.00 C ATOM 1151 NE2 HIS A 70 52.112 -19.625 -1.906 1.00 0.00 N ATOM 0 H HIS A 70 52.406 -15.802 -0.847 1.00 0.00 H new ATOM 0 HA HIS A 70 49.765 -15.311 0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 70 49.095 -16.519 -1.623 1.00 0.00 H new ATOM 0 HB3 HIS A 70 50.549 -15.684 -2.132 1.00 0.00 H new ATOM 0 HD2 HIS A 70 52.574 -17.996 -0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 70 50.950 -20.561 -3.438 1.00 0.00 H new ATOM 0 HE2 HIS A 70 52.853 -20.306 -1.739 1.00 0.00 H new ATOM 1159 N ALA A 71 51.383 -17.724 1.512 1.00 0.00 N ATOM 1160 CA ALA A 71 51.301 -18.895 2.431 1.00 0.00 C ATOM 1161 C ALA A 71 50.461 -18.541 3.660 1.00 0.00 C ATOM 1162 O ALA A 71 49.690 -19.342 4.150 1.00 0.00 O ATOM 1163 CB ALA A 71 52.747 -19.184 2.834 1.00 0.00 C ATOM 0 H ALA A 71 52.315 -17.325 1.399 1.00 0.00 H new ATOM 0 HA ALA A 71 50.830 -19.758 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 71 52.772 -20.036 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 71 53.334 -19.412 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 71 53.167 -18.310 3.332 1.00 0.00 H new ATOM 1169 N ALA A 72 50.606 -17.345 4.166 1.00 0.00 N ATOM 1170 CA ALA A 72 49.815 -16.944 5.365 1.00 0.00 C ATOM 1171 C ALA A 72 48.318 -16.934 5.040 1.00 0.00 C ATOM 1172 O ALA A 72 47.483 -16.872 5.920 1.00 0.00 O ATOM 1173 CB ALA A 72 50.298 -15.533 5.704 1.00 0.00 C ATOM 0 H ALA A 72 51.236 -16.631 3.802 1.00 0.00 H new ATOM 0 HA ALA A 72 49.952 -17.635 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 72 49.762 -15.165 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 72 51.367 -15.556 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 72 50.110 -14.871 4.859 1.00 0.00 H new ATOM 1179 N PHE A 73 47.971 -16.990 3.783 1.00 0.00 N ATOM 1180 CA PHE A 73 46.528 -16.976 3.409 1.00 0.00 C ATOM 1181 C PHE A 73 46.085 -18.361 2.926 1.00 0.00 C ATOM 1182 O PHE A 73 44.941 -18.743 3.074 1.00 0.00 O ATOM 1183 CB PHE A 73 46.424 -15.954 2.277 1.00 0.00 C ATOM 1184 CG PHE A 73 45.641 -14.754 2.751 1.00 0.00 C ATOM 1185 CD1 PHE A 73 44.409 -14.930 3.393 1.00 0.00 C ATOM 1186 CD2 PHE A 73 46.147 -13.464 2.549 1.00 0.00 C ATOM 1187 CE1 PHE A 73 43.683 -13.817 3.832 1.00 0.00 C ATOM 1188 CE2 PHE A 73 45.421 -12.351 2.988 1.00 0.00 C ATOM 1189 CZ PHE A 73 44.189 -12.527 3.630 1.00 0.00 C ATOM 0 H PHE A 73 48.623 -17.045 3.000 1.00 0.00 H new ATOM 0 HA PHE A 73 45.888 -16.719 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 73 47.420 -15.648 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 73 45.935 -16.402 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 73 44.019 -15.925 3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 73 47.097 -13.328 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 73 42.733 -13.953 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 73 45.811 -11.356 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 73 43.629 -11.668 3.969 1.00 0.00 H new ATOM 1199 N GLU A 74 46.979 -19.117 2.349 1.00 0.00 N ATOM 1200 CA GLU A 74 46.600 -20.474 1.858 1.00 0.00 C ATOM 1201 C GLU A 74 47.729 -21.472 2.132 1.00 0.00 C ATOM 1202 O GLU A 74 48.760 -21.126 2.672 1.00 0.00 O ATOM 1203 CB GLU A 74 46.386 -20.307 0.353 1.00 0.00 C ATOM 1204 CG GLU A 74 45.477 -19.103 0.096 1.00 0.00 C ATOM 1205 CD GLU A 74 44.760 -19.280 -1.244 1.00 0.00 C ATOM 1206 OE1 GLU A 74 44.371 -20.396 -1.543 1.00 0.00 O ATOM 1207 OE2 GLU A 74 44.614 -18.295 -1.950 1.00 0.00 O ATOM 0 H GLU A 74 47.953 -18.855 2.196 1.00 0.00 H new ATOM 0 HA GLU A 74 45.710 -20.858 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 74 47.344 -20.166 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 74 45.938 -21.209 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 74 44.748 -19.006 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 46.065 -18.185 0.087 1.00 0.00 H new ATOM 1214 N GLN A 75 47.538 -22.709 1.762 1.00 0.00 N ATOM 1215 CA GLN A 75 48.596 -23.731 1.998 1.00 0.00 C ATOM 1216 C GLN A 75 48.948 -24.436 0.686 1.00 0.00 C ATOM 1217 O GLN A 75 48.176 -24.440 -0.253 1.00 0.00 O ATOM 1218 CB GLN A 75 47.980 -24.717 2.991 1.00 0.00 C ATOM 1219 CG GLN A 75 47.851 -24.049 4.361 1.00 0.00 C ATOM 1220 CD GLN A 75 48.952 -24.564 5.288 1.00 0.00 C ATOM 1221 OE1 GLN A 75 50.071 -24.777 4.863 1.00 0.00 O ATOM 1222 NE2 GLN A 75 48.681 -24.774 6.546 1.00 0.00 N ATOM 0 H GLN A 75 46.694 -23.056 1.306 1.00 0.00 H new ATOM 0 HA GLN A 75 49.518 -23.293 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 75 47.000 -25.040 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 75 48.602 -25.609 3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 75 47.926 -22.966 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 75 46.872 -24.262 4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 75 47.742 -24.595 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 75 49.408 -25.117 7.174 1.00 0.00 H new ATOM 1231 N GLY A 76 50.107 -25.029 0.610 1.00 0.00 N ATOM 1232 CA GLY A 76 50.506 -25.728 -0.644 1.00 0.00 C ATOM 1233 C GLY A 76 49.671 -26.998 -0.813 1.00 0.00 C ATOM 1234 O GLY A 76 48.971 -27.417 0.088 1.00 0.00 O ATOM 0 H GLY A 76 50.795 -25.060 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 76 50.362 -25.070 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 76 51.566 -25.980 -0.610 1.00 0.00 H new ATOM 1238 N GLY A 77 49.740 -27.615 -1.961 1.00 0.00 N ATOM 1239 CA GLY A 77 48.951 -28.859 -2.187 1.00 0.00 C ATOM 1240 C GLY A 77 49.859 -30.079 -2.012 1.00 0.00 C ATOM 1241 O GLY A 77 49.601 -30.859 -1.109 1.00 0.00 O ATOM 1242 OXT GLY A 77 50.794 -30.211 -2.782 1.00 0.00 O ATOM 0 H GLY A 77 50.308 -27.312 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 77 48.119 -28.908 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 77 48.521 -28.853 -3.189 1.00 0.00 H new TER 1246 GLY A 77