USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 48 LYS NZ :NH3+ 138:sc= 0.237 (180deg=0.0839) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -160:sc=-0.00961 (180deg=-0.157) USER MOD Set 2.1: A 10 TYR OH : rot 43:sc= 0.288 USER MOD Set 2.2: A 14 GLN : amide:sc=-0.00876 K(o=0.12,f=-0.77) USER MOD Set 2.3: A 45 HIS : no HD1:sc= -0.157 X(o=0.12,f=0.35) USER MOD Set 3.1: A 43 TYR OH : rot -150:sc= 0.327 USER MOD Set 3.2: A 65 GLN : amide:sc= -1.35! K(o=-1!,f=0.78) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -0.156 X(o=-0.33,f=-0.35) USER MOD Set 4.2: A 21 ASN : amide:sc= -0.172 X(o=-0.33,f=-0.043) USER MOD Set 5.1: A 1 GLU N :NH3+ -154:sc= 0.0452 (180deg=-0.3) USER MOD Set 5.2: A 8 THR OG1 : rot -90:sc= -0.104 USER MOD Single : A 18 LYS NZ :NH3+ 142:sc= 0.475 (180deg=0.0184) USER MOD Single : A 19 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.47) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -77:sc= 1.03 USER MOD Single : A 39 TYR OH : rot -14:sc= -0.394 USER MOD Single : A 42 THR OG1 : rot 140:sc= -1.11 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 28:sc= 0.0509 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 63 TYR OH : rot -157:sc= 0.26 USER MOD Single : A 75 THR OG1 : rot -45:sc= -0.416 USER MOD Single : A 76 GLN : amide:sc= -3.46! K(o=-3.5!,f=-0.93) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= -0.144 (180deg=-0.147) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.04) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc=-0.00251 X(o=-0.0025,f=-0.0025) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 96 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.22) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0002) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -10.473 1.591 16.678 1.00 0.00 N ATOM 2 CA GLU A 1 -9.741 0.672 17.586 1.00 0.00 C ATOM 3 C GLU A 1 -10.260 -0.773 17.455 1.00 0.00 C ATOM 4 O GLU A 1 -9.648 -1.711 17.985 1.00 0.00 O ATOM 5 CB GLU A 1 -9.841 1.164 19.049 1.00 0.00 C ATOM 6 CG GLU A 1 -9.250 2.568 19.296 1.00 0.00 C ATOM 7 CD GLU A 1 -9.237 2.956 20.784 1.00 0.00 C ATOM 8 OE1 GLU A 1 -10.239 3.506 21.281 1.00 0.00 O ATOM 9 OE2 GLU A 1 -8.226 2.687 21.474 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.868 2.405 16.446 1.00 0.00 H new ATOM 0 H2 GLU A 1 -10.726 1.087 15.804 1.00 0.00 H new ATOM 0 H3 GLU A 1 -11.339 1.926 17.147 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.691 0.673 17.293 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -10.890 1.168 19.346 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.329 0.450 19.694 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -8.232 2.602 18.907 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -9.829 3.304 18.738 1.00 0.00 H new ATOM 18 N ASP A 2 -11.393 -0.943 16.757 1.00 0.00 N ATOM 19 CA ASP A 2 -11.943 -2.261 16.400 1.00 0.00 C ATOM 20 C ASP A 2 -11.466 -2.596 14.969 1.00 0.00 C ATOM 21 O ASP A 2 -11.418 -1.693 14.141 1.00 0.00 O ATOM 22 CB ASP A 2 -13.493 -2.219 16.476 1.00 0.00 C ATOM 23 CG ASP A 2 -14.154 -3.591 16.248 1.00 0.00 C ATOM 24 OD1 ASP A 2 -14.349 -3.984 15.086 1.00 0.00 O ATOM 25 OD2 ASP A 2 -14.474 -4.290 17.231 1.00 0.00 O ATOM 0 H ASP A 2 -11.959 -0.163 16.421 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.599 -3.030 17.092 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.791 -1.838 17.453 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.867 -1.516 15.732 1.00 0.00 H new ATOM 30 N PRO A 3 -11.066 -3.879 14.657 1.00 0.00 N ATOM 31 CA PRO A 3 -10.580 -4.296 13.295 1.00 0.00 C ATOM 32 C PRO A 3 -11.528 -4.000 12.098 1.00 0.00 C ATOM 33 O PRO A 3 -11.169 -4.264 10.948 1.00 0.00 O ATOM 34 CB PRO A 3 -10.335 -5.818 13.457 1.00 0.00 C ATOM 35 CG PRO A 3 -10.059 -5.992 14.916 1.00 0.00 C ATOM 36 CD PRO A 3 -10.961 -5.006 15.619 1.00 0.00 C ATOM 0 HA PRO A 3 -9.701 -3.712 13.023 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.204 -6.397 13.144 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.494 -6.153 12.850 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.269 -7.013 15.236 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.011 -5.796 15.143 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.937 -5.440 15.836 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.537 -4.683 16.570 1.00 0.00 H new ATOM 44 N GLU A 4 -12.738 -3.489 12.370 1.00 0.00 N ATOM 45 CA GLU A 4 -13.637 -2.963 11.325 1.00 0.00 C ATOM 46 C GLU A 4 -13.153 -1.582 10.802 1.00 0.00 C ATOM 47 O GLU A 4 -13.320 -1.275 9.619 1.00 0.00 O ATOM 48 CB GLU A 4 -15.092 -2.869 11.857 1.00 0.00 C ATOM 49 CG GLU A 4 -15.756 -4.223 12.199 1.00 0.00 C ATOM 50 CD GLU A 4 -16.026 -5.096 10.967 1.00 0.00 C ATOM 51 OE1 GLU A 4 -15.154 -5.895 10.577 1.00 0.00 O ATOM 52 OE2 GLU A 4 -17.124 -4.977 10.373 1.00 0.00 O ATOM 0 H GLU A 4 -13.122 -3.428 13.313 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.617 -3.659 10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.096 -2.245 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.703 -2.361 11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.114 -4.770 12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.697 -4.038 12.717 1.00 0.00 H new ATOM 59 N ASP A 5 -12.571 -0.758 11.701 1.00 0.00 N ATOM 60 CA ASP A 5 -11.971 0.563 11.356 1.00 0.00 C ATOM 61 C ASP A 5 -10.834 0.405 10.329 1.00 0.00 C ATOM 62 O ASP A 5 -10.032 -0.526 10.467 1.00 0.00 O ATOM 63 CB ASP A 5 -11.401 1.279 12.618 1.00 0.00 C ATOM 64 CG ASP A 5 -12.478 1.695 13.627 1.00 0.00 C ATOM 65 OD1 ASP A 5 -13.300 2.573 13.288 1.00 0.00 O ATOM 66 OD2 ASP A 5 -12.520 1.146 14.752 1.00 0.00 O ATOM 0 H ASP A 5 -12.501 -0.986 12.693 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.772 1.167 10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.690 0.616 13.111 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.848 2.164 12.304 1.00 0.00 H new ATOM 71 N PRO A 6 -10.748 1.314 9.292 1.00 0.00 N ATOM 72 CA PRO A 6 -9.678 1.282 8.264 1.00 0.00 C ATOM 73 C PRO A 6 -8.259 1.300 8.875 1.00 0.00 C ATOM 74 O PRO A 6 -7.414 0.497 8.479 1.00 0.00 O ATOM 75 CB PRO A 6 -9.944 2.550 7.396 1.00 0.00 C ATOM 76 CG PRO A 6 -10.867 3.396 8.224 1.00 0.00 C ATOM 77 CD PRO A 6 -11.704 2.422 9.014 1.00 0.00 C ATOM 0 HA PRO A 6 -9.707 0.359 7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.017 3.078 7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.399 2.287 6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.307 4.058 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.491 4.029 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.084 2.868 9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.568 2.078 8.446 1.00 0.00 H new ATOM 85 N PHE A 7 -8.030 2.206 9.850 1.00 0.00 N ATOM 86 CA PHE A 7 -6.738 2.323 10.560 1.00 0.00 C ATOM 87 C PHE A 7 -6.364 1.021 11.297 1.00 0.00 C ATOM 88 O PHE A 7 -5.198 0.610 11.286 1.00 0.00 O ATOM 89 CB PHE A 7 -6.771 3.507 11.564 1.00 0.00 C ATOM 90 CG PHE A 7 -5.481 3.689 12.379 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.304 4.115 11.759 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.436 3.412 13.749 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.135 4.266 12.482 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.264 3.562 14.469 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.114 3.988 13.835 1.00 0.00 C ATOM 0 H PHE A 7 -8.733 2.874 10.166 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.974 2.511 9.806 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.971 4.427 11.015 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.603 3.359 12.253 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.307 4.329 10.700 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.330 3.076 14.253 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.236 4.602 11.987 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.249 3.346 15.527 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.199 4.104 14.396 1.00 0.00 H new ATOM 105 N THR A 8 -7.361 0.381 11.923 1.00 0.00 N ATOM 106 CA THR A 8 -7.121 -0.766 12.811 1.00 0.00 C ATOM 107 C THR A 8 -6.881 -2.062 12.006 1.00 0.00 C ATOM 108 O THR A 8 -6.060 -2.882 12.401 1.00 0.00 O ATOM 109 CB THR A 8 -8.296 -0.963 13.818 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.629 0.296 14.425 1.00 0.00 O ATOM 111 CG2 THR A 8 -7.941 -1.979 14.929 1.00 0.00 C ATOM 0 H THR A 8 -8.344 0.639 11.831 1.00 0.00 H new ATOM 0 HA THR A 8 -6.218 -0.546 13.380 1.00 0.00 H new ATOM 0 HB THR A 8 -9.145 -1.354 13.258 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.099 0.416 15.240 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.787 -2.086 15.608 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.713 -2.945 14.479 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.073 -1.623 15.484 1.00 0.00 H new ATOM 119 N ARG A 9 -7.616 -2.234 10.882 1.00 0.00 N ATOM 120 CA ARG A 9 -7.449 -3.398 9.973 1.00 0.00 C ATOM 121 C ARG A 9 -6.159 -3.256 9.135 1.00 0.00 C ATOM 122 O ARG A 9 -5.586 -4.254 8.686 1.00 0.00 O ATOM 123 CB ARG A 9 -8.709 -3.604 9.085 1.00 0.00 C ATOM 124 CG ARG A 9 -8.941 -2.545 7.987 1.00 0.00 C ATOM 125 CD ARG A 9 -10.419 -2.411 7.566 1.00 0.00 C ATOM 126 NE ARG A 9 -11.024 -3.686 7.152 1.00 0.00 N ATOM 127 CZ ARG A 9 -12.342 -3.943 7.165 1.00 0.00 C ATOM 128 NH1 ARG A 9 -13.209 -3.029 7.546 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.785 -5.112 6.780 1.00 0.00 N ATOM 0 H ARG A 9 -8.336 -1.578 10.580 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.343 -4.297 10.580 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.639 -4.582 8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.586 -3.626 9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.584 -1.579 8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.344 -2.803 7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.990 -1.999 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.492 -1.698 6.745 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.399 -4.426 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.883 -2.107 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.206 -3.242 7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.129 -5.829 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.786 -5.307 6.790 1.00 0.00 H new ATOM 143 N TYR A 10 -5.736 -1.997 8.921 1.00 0.00 N ATOM 144 CA TYR A 10 -4.423 -1.659 8.335 1.00 0.00 C ATOM 145 C TYR A 10 -3.298 -2.092 9.290 1.00 0.00 C ATOM 146 O TYR A 10 -2.348 -2.767 8.884 1.00 0.00 O ATOM 147 CB TYR A 10 -4.367 -0.134 8.048 1.00 0.00 C ATOM 148 CG TYR A 10 -2.999 0.410 7.604 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.454 0.083 6.363 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.255 1.255 8.435 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.225 0.578 5.968 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.033 1.749 8.038 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.521 1.409 6.813 1.00 0.00 C ATOM 154 OH TYR A 10 0.697 1.911 6.425 1.00 0.00 O ATOM 0 H TYR A 10 -6.299 -1.178 9.151 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.286 -2.192 7.394 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.099 0.099 7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.675 0.398 8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.002 -0.569 5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.646 1.524 9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.819 0.315 5.003 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.478 2.405 8.692 1.00 0.00 H new ATOM 0 HH TYR A 10 0.646 2.208 5.492 1.00 0.00 H new ATOM 164 N ALA A 11 -3.451 -1.706 10.570 1.00 0.00 N ATOM 165 CA ALA A 11 -2.528 -2.086 11.655 1.00 0.00 C ATOM 166 C ALA A 11 -2.496 -3.616 11.838 1.00 0.00 C ATOM 167 O ALA A 11 -1.439 -4.204 12.077 1.00 0.00 O ATOM 168 CB ALA A 11 -2.950 -1.396 12.964 1.00 0.00 C ATOM 0 H ALA A 11 -4.224 -1.118 10.882 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.523 -1.759 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.265 -1.680 13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.923 -0.315 12.830 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.962 -1.704 13.228 1.00 0.00 H new ATOM 174 N LEU A 12 -3.683 -4.229 11.697 1.00 0.00 N ATOM 175 CA LEU A 12 -3.893 -5.684 11.791 1.00 0.00 C ATOM 176 C LEU A 12 -3.126 -6.406 10.675 1.00 0.00 C ATOM 177 O LEU A 12 -2.494 -7.433 10.915 1.00 0.00 O ATOM 178 CB LEU A 12 -5.412 -5.990 11.697 1.00 0.00 C ATOM 179 CG LEU A 12 -5.846 -7.487 11.738 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.484 -8.157 13.081 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.354 -7.632 11.423 1.00 0.00 C ATOM 0 H LEU A 12 -4.544 -3.715 11.510 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.515 -6.044 12.748 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.911 -5.472 12.516 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.786 -5.556 10.770 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.287 -8.011 10.963 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.804 -9.199 13.066 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.405 -8.111 13.231 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.986 -7.635 13.895 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.633 -8.685 11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.935 -7.078 12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.558 -7.235 10.429 1.00 0.00 H new ATOM 193 N ALA A 13 -3.189 -5.828 9.463 1.00 0.00 N ATOM 194 CA ALA A 13 -2.466 -6.324 8.283 1.00 0.00 C ATOM 195 C ALA A 13 -0.947 -6.297 8.520 1.00 0.00 C ATOM 196 O ALA A 13 -0.249 -7.258 8.211 1.00 0.00 O ATOM 197 CB ALA A 13 -2.838 -5.497 7.046 1.00 0.00 C ATOM 0 H ALA A 13 -3.749 -4.996 9.275 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.760 -7.359 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.296 -5.875 6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.910 -5.575 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.573 -4.453 7.213 1.00 0.00 H new ATOM 203 N GLN A 14 -0.462 -5.195 9.113 1.00 0.00 N ATOM 204 CA GLN A 14 0.963 -5.018 9.457 1.00 0.00 C ATOM 205 C GLN A 14 1.426 -6.040 10.516 1.00 0.00 C ATOM 206 O GLN A 14 2.594 -6.451 10.525 1.00 0.00 O ATOM 207 CB GLN A 14 1.209 -3.570 9.930 1.00 0.00 C ATOM 208 CG GLN A 14 0.918 -2.510 8.854 1.00 0.00 C ATOM 209 CD GLN A 14 1.109 -1.086 9.359 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.179 -0.478 9.876 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.319 -0.561 9.247 1.00 0.00 N ATOM 0 H GLN A 14 -1.046 -4.399 9.369 1.00 0.00 H new ATOM 0 HA GLN A 14 1.558 -5.202 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.585 -3.371 10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.246 -3.473 10.251 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.573 -2.678 7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.106 -2.630 8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.069 -1.097 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.501 0.380 9.597 1.00 0.00 H new ATOM 220 N GLU A 15 0.506 -6.461 11.399 1.00 0.00 N ATOM 221 CA GLU A 15 0.785 -7.524 12.376 1.00 0.00 C ATOM 222 C GLU A 15 0.787 -8.906 11.692 1.00 0.00 C ATOM 223 O GLU A 15 1.574 -9.773 12.054 1.00 0.00 O ATOM 224 CB GLU A 15 -0.223 -7.483 13.549 1.00 0.00 C ATOM 225 CG GLU A 15 -0.193 -6.186 14.380 1.00 0.00 C ATOM 226 CD GLU A 15 1.198 -5.854 14.948 1.00 0.00 C ATOM 227 OE1 GLU A 15 1.651 -6.551 15.874 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.847 -4.906 14.465 1.00 0.00 O ATOM 0 H GLU A 15 -0.439 -6.080 11.456 1.00 0.00 H new ATOM 0 HA GLU A 15 1.778 -7.350 12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.228 -7.620 13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.024 -8.326 14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.530 -5.357 13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.901 -6.275 15.204 1.00 0.00 H new ATOM 235 N HIS A 16 -0.102 -9.109 10.701 1.00 0.00 N ATOM 236 CA HIS A 16 -0.110 -10.340 9.879 1.00 0.00 C ATOM 237 C HIS A 16 1.204 -10.477 9.084 1.00 0.00 C ATOM 238 O HIS A 16 1.672 -11.590 8.864 1.00 0.00 O ATOM 239 CB HIS A 16 -1.339 -10.400 8.931 1.00 0.00 C ATOM 240 CG HIS A 16 -2.635 -10.732 9.623 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.883 -11.968 10.194 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.749 -9.999 9.838 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.089 -11.970 10.727 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.629 -10.786 10.531 1.00 0.00 N ATOM 0 H HIS A 16 -0.826 -8.437 10.448 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.190 -11.185 10.563 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.444 -9.438 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.152 -11.145 8.158 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -2.234 -12.755 10.201 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.915 -8.980 9.521 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.554 -12.801 11.237 1.00 0.00 H new ATOM 253 N LEU A 17 1.805 -9.337 8.694 1.00 0.00 N ATOM 254 CA LEU A 17 3.112 -9.303 7.997 1.00 0.00 C ATOM 255 C LEU A 17 4.229 -9.955 8.850 1.00 0.00 C ATOM 256 O LEU A 17 4.989 -10.794 8.349 1.00 0.00 O ATOM 257 CB LEU A 17 3.495 -7.840 7.631 1.00 0.00 C ATOM 258 CG LEU A 17 2.618 -7.156 6.534 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.035 -5.687 6.295 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.666 -7.963 5.222 1.00 0.00 C ATOM 0 H LEU A 17 1.402 -8.413 8.851 1.00 0.00 H new ATOM 0 HA LEU A 17 3.013 -9.883 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.446 -7.235 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.533 -7.830 7.297 1.00 0.00 H new ATOM 0 HG LEU A 17 1.590 -7.143 6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.400 -5.249 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.925 -5.122 7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.075 -5.652 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.049 -7.471 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.695 -8.020 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.288 -8.970 5.400 1.00 0.00 H new ATOM 272 N LYS A 18 4.302 -9.574 10.145 1.00 0.00 N ATOM 273 CA LYS A 18 5.329 -10.098 11.078 1.00 0.00 C ATOM 274 C LYS A 18 4.984 -11.531 11.540 1.00 0.00 C ATOM 275 O LYS A 18 5.865 -12.281 11.960 1.00 0.00 O ATOM 276 CB LYS A 18 5.521 -9.146 12.295 1.00 0.00 C ATOM 277 CG LYS A 18 4.315 -9.054 13.252 1.00 0.00 C ATOM 278 CD LYS A 18 4.507 -8.028 14.386 1.00 0.00 C ATOM 279 CE LYS A 18 4.717 -6.597 13.859 1.00 0.00 C ATOM 280 NZ LYS A 18 4.719 -5.594 14.952 1.00 0.00 N ATOM 0 H LYS A 18 3.661 -8.904 10.570 1.00 0.00 H new ATOM 0 HA LYS A 18 6.275 -10.142 10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.390 -9.478 12.862 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.746 -8.147 11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.426 -8.789 12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.132 -10.036 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.635 -8.046 15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.365 -8.318 14.992 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.662 -6.545 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.929 -6.354 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.430 -4.862 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.779 -5.154 15.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.949 -6.062 15.852 1.00 0.00 H new ATOM 294 N HIS A 19 3.681 -11.890 11.465 1.00 0.00 N ATOM 295 CA HIS A 19 3.195 -13.265 11.738 1.00 0.00 C ATOM 296 C HIS A 19 3.245 -14.143 10.466 1.00 0.00 C ATOM 297 O HIS A 19 2.687 -15.243 10.455 1.00 0.00 O ATOM 298 CB HIS A 19 1.749 -13.229 12.312 1.00 0.00 C ATOM 299 CG HIS A 19 1.609 -12.460 13.602 1.00 0.00 C ATOM 300 ND1 HIS A 19 0.492 -11.713 13.911 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.451 -12.319 14.660 1.00 0.00 C ATOM 302 CE1 HIS A 19 0.655 -11.141 15.084 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.831 -11.492 15.559 1.00 0.00 N ATOM 0 H HIS A 19 2.938 -11.237 11.214 1.00 0.00 H new ATOM 0 HA HIS A 19 3.858 -13.710 12.480 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.086 -12.788 11.567 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.410 -14.252 12.475 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.425 -12.773 14.771 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.056 -10.493 15.575 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.219 -11.195 16.454 1.00 0.00 H new ATOM 312 N ASP A 20 3.877 -13.613 9.386 1.00 0.00 N ATOM 313 CA ASP A 20 4.148 -14.340 8.110 1.00 0.00 C ATOM 314 C ASP A 20 2.850 -14.627 7.293 1.00 0.00 C ATOM 315 O ASP A 20 2.894 -15.252 6.226 1.00 0.00 O ATOM 316 CB ASP A 20 4.984 -15.634 8.375 1.00 0.00 C ATOM 317 CG ASP A 20 5.543 -16.309 7.107 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.463 -15.738 6.483 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.049 -17.393 6.714 1.00 0.00 O ATOM 0 H ASP A 20 4.220 -12.652 9.374 1.00 0.00 H new ATOM 0 HA ASP A 20 4.748 -13.681 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.815 -15.385 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.359 -16.351 8.907 1.00 0.00 H new ATOM 324 N ASN A 21 1.699 -14.109 7.777 1.00 0.00 N ATOM 325 CA ASN A 21 0.397 -14.166 7.072 1.00 0.00 C ATOM 326 C ASN A 21 0.315 -13.012 6.057 1.00 0.00 C ATOM 327 O ASN A 21 -0.626 -12.208 6.081 1.00 0.00 O ATOM 328 CB ASN A 21 -0.784 -14.076 8.089 1.00 0.00 C ATOM 329 CG ASN A 21 -0.786 -15.146 9.182 1.00 0.00 C ATOM 330 OD1 ASN A 21 -1.200 -14.872 10.307 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.381 -16.368 8.864 1.00 0.00 N ATOM 0 H ASN A 21 1.647 -13.634 8.678 1.00 0.00 H new ATOM 0 HA ASN A 21 0.319 -15.117 6.546 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.760 -13.095 8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.722 -14.141 7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.408 -17.112 9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.043 -16.564 7.922 1.00 0.00 H new ATOM 338 N ALA A 22 1.313 -12.948 5.158 1.00 0.00 N ATOM 339 CA ALA A 22 1.448 -11.877 4.161 1.00 0.00 C ATOM 340 C ALA A 22 0.284 -11.901 3.163 1.00 0.00 C ATOM 341 O ALA A 22 -0.158 -10.856 2.720 1.00 0.00 O ATOM 342 CB ALA A 22 2.789 -12.012 3.428 1.00 0.00 C ATOM 0 H ALA A 22 2.055 -13.646 5.105 1.00 0.00 H new ATOM 0 HA ALA A 22 1.421 -10.918 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.882 -11.215 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.605 -11.939 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.833 -12.978 2.926 1.00 0.00 H new ATOM 348 N SER A 23 -0.175 -13.114 2.816 1.00 0.00 N ATOM 349 CA SER A 23 -1.362 -13.336 1.970 1.00 0.00 C ATOM 350 C SER A 23 -2.630 -12.697 2.583 1.00 0.00 C ATOM 351 O SER A 23 -3.395 -12.027 1.882 1.00 0.00 O ATOM 352 CB SER A 23 -1.562 -14.854 1.764 1.00 0.00 C ATOM 353 OG SER A 23 -1.619 -15.536 3.009 1.00 0.00 O ATOM 0 H SER A 23 0.272 -13.980 3.118 1.00 0.00 H new ATOM 0 HA SER A 23 -1.196 -12.854 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.482 -15.030 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.744 -15.254 1.164 1.00 0.00 H new ATOM 0 HG SER A 23 -1.748 -16.495 2.851 1.00 0.00 H new ATOM 359 N ARG A 24 -2.818 -12.882 3.903 1.00 0.00 N ATOM 360 CA ARG A 24 -4.000 -12.371 4.636 1.00 0.00 C ATOM 361 C ARG A 24 -3.907 -10.842 4.820 1.00 0.00 C ATOM 362 O ARG A 24 -4.915 -10.129 4.767 1.00 0.00 O ATOM 363 CB ARG A 24 -4.108 -13.086 6.012 1.00 0.00 C ATOM 364 CG ARG A 24 -4.187 -14.631 5.921 1.00 0.00 C ATOM 365 CD ARG A 24 -5.403 -15.111 5.112 1.00 0.00 C ATOM 366 NE ARG A 24 -5.420 -16.577 4.915 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.133 -17.222 3.968 1.00 0.00 C ATOM 368 NH1 ARG A 24 -6.883 -16.554 3.108 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.089 -18.544 3.901 1.00 0.00 N ATOM 0 H ARG A 24 -2.158 -13.388 4.494 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.898 -12.583 4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.245 -12.813 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.993 -12.718 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.275 -15.012 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.235 -15.049 6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.316 -14.807 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.404 -14.619 4.140 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.849 -17.143 5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.929 -15.536 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.416 -17.057 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.518 -19.069 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.626 -19.037 3.187 1.00 0.00 H new ATOM 383 N ALA A 25 -2.665 -10.371 5.024 1.00 0.00 N ATOM 384 CA ALA A 25 -2.328 -8.944 5.125 1.00 0.00 C ATOM 385 C ALA A 25 -2.551 -8.243 3.778 1.00 0.00 C ATOM 386 O ALA A 25 -3.039 -7.114 3.731 1.00 0.00 O ATOM 387 CB ALA A 25 -0.868 -8.792 5.560 1.00 0.00 C ATOM 0 H ALA A 25 -1.855 -10.983 5.125 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.977 -8.479 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.619 -7.733 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.726 -9.267 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.218 -9.267 4.825 1.00 0.00 H new ATOM 393 N LEU A 26 -2.212 -8.973 2.697 1.00 0.00 N ATOM 394 CA LEU A 26 -2.326 -8.496 1.307 1.00 0.00 C ATOM 395 C LEU A 26 -3.798 -8.229 1.001 1.00 0.00 C ATOM 396 O LEU A 26 -4.153 -7.166 0.511 1.00 0.00 O ATOM 397 CB LEU A 26 -1.751 -9.558 0.322 1.00 0.00 C ATOM 398 CG LEU A 26 -1.618 -9.135 -1.174 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.549 -8.038 -1.356 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.315 -10.353 -2.072 1.00 0.00 C ATOM 0 H LEU A 26 -1.847 -9.923 2.767 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.753 -7.577 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.765 -9.854 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.386 -10.443 0.369 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.577 -8.719 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.482 -7.767 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.825 -7.160 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.417 -8.411 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.228 -10.028 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.379 -10.814 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.124 -11.079 -1.986 1.00 0.00 H new ATOM 412 N ALA A 27 -4.631 -9.218 1.361 1.00 0.00 N ATOM 413 CA ALA A 27 -6.091 -9.159 1.225 1.00 0.00 C ATOM 414 C ALA A 27 -6.695 -7.963 1.988 1.00 0.00 C ATOM 415 O ALA A 27 -7.588 -7.295 1.471 1.00 0.00 O ATOM 416 CB ALA A 27 -6.703 -10.481 1.700 1.00 0.00 C ATOM 0 H ALA A 27 -4.301 -10.096 1.762 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.330 -9.010 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.787 -10.437 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.315 -11.300 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.442 -10.648 2.745 1.00 0.00 H new ATOM 422 N LEU A 28 -6.188 -7.701 3.211 1.00 0.00 N ATOM 423 CA LEU A 28 -6.613 -6.539 4.033 1.00 0.00 C ATOM 424 C LEU A 28 -6.283 -5.199 3.352 1.00 0.00 C ATOM 425 O LEU A 28 -7.110 -4.283 3.367 1.00 0.00 O ATOM 426 CB LEU A 28 -5.974 -6.596 5.455 1.00 0.00 C ATOM 427 CG LEU A 28 -6.731 -7.463 6.509 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.909 -7.612 7.805 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.124 -6.857 6.816 1.00 0.00 C ATOM 0 H LEU A 28 -5.478 -8.281 3.657 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.697 -6.601 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.958 -6.979 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.897 -5.579 5.838 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.871 -8.457 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.463 -8.221 8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.957 -8.093 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.725 -6.627 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.636 -7.476 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.003 -5.848 7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.714 -6.820 5.901 1.00 0.00 H new ATOM 441 N PHE A 29 -5.083 -5.099 2.755 1.00 0.00 N ATOM 442 CA PHE A 29 -4.644 -3.880 2.055 1.00 0.00 C ATOM 443 C PHE A 29 -5.492 -3.653 0.774 1.00 0.00 C ATOM 444 O PHE A 29 -5.978 -2.553 0.529 1.00 0.00 O ATOM 445 CB PHE A 29 -3.136 -3.951 1.694 1.00 0.00 C ATOM 446 CG PHE A 29 -2.144 -3.947 2.866 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.252 -3.013 3.896 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.086 -4.865 2.921 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.342 -3.004 4.943 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.180 -4.850 3.966 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.308 -3.920 4.977 1.00 0.00 C ATOM 0 H PHE A 29 -4.396 -5.853 2.744 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.792 -3.037 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.968 -4.856 1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.901 -3.106 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.053 -2.289 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.976 -5.596 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.442 -2.277 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.628 -5.566 3.991 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.399 -3.908 5.794 1.00 0.00 H new ATOM 461 N GLU A 30 -5.677 -4.721 -0.019 1.00 0.00 N ATOM 462 CA GLU A 30 -6.494 -4.696 -1.258 1.00 0.00 C ATOM 463 C GLU A 30 -7.975 -4.379 -0.947 1.00 0.00 C ATOM 464 O GLU A 30 -8.680 -3.763 -1.759 1.00 0.00 O ATOM 465 CB GLU A 30 -6.368 -6.062 -1.984 1.00 0.00 C ATOM 466 CG GLU A 30 -4.937 -6.401 -2.445 1.00 0.00 C ATOM 467 CD GLU A 30 -4.807 -7.826 -3.007 1.00 0.00 C ATOM 468 OE1 GLU A 30 -4.913 -8.798 -2.225 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.618 -7.983 -4.232 1.00 0.00 O ATOM 0 H GLU A 30 -5.265 -5.633 0.176 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.121 -3.904 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.719 -6.849 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.027 -6.062 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.628 -5.686 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.253 -6.285 -1.604 1.00 0.00 H new ATOM 476 N GLU A 31 -8.414 -4.797 0.249 1.00 0.00 N ATOM 477 CA GLU A 31 -9.759 -4.518 0.764 1.00 0.00 C ATOM 478 C GLU A 31 -9.885 -3.024 1.106 1.00 0.00 C ATOM 479 O GLU A 31 -10.893 -2.401 0.797 1.00 0.00 O ATOM 480 CB GLU A 31 -10.031 -5.390 2.014 1.00 0.00 C ATOM 481 CG GLU A 31 -11.393 -5.178 2.695 1.00 0.00 C ATOM 482 CD GLU A 31 -11.571 -6.087 3.920 1.00 0.00 C ATOM 483 OE1 GLU A 31 -10.807 -5.934 4.899 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.453 -6.970 3.912 1.00 0.00 O ATOM 0 H GLU A 31 -7.839 -5.343 0.891 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.499 -4.763 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.949 -6.438 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.246 -5.197 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.488 -4.136 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.191 -5.374 1.979 1.00 0.00 H new ATOM 491 N LEU A 32 -8.833 -2.471 1.744 1.00 0.00 N ATOM 492 CA LEU A 32 -8.758 -1.038 2.097 1.00 0.00 C ATOM 493 C LEU A 32 -8.902 -0.149 0.855 1.00 0.00 C ATOM 494 O LEU A 32 -9.627 0.834 0.894 1.00 0.00 O ATOM 495 CB LEU A 32 -7.423 -0.719 2.815 1.00 0.00 C ATOM 496 CG LEU A 32 -7.310 -1.202 4.291 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.853 -1.150 4.793 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.231 -0.366 5.200 1.00 0.00 C ATOM 0 H LEU A 32 -8.012 -3.005 2.029 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.586 -0.825 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.610 -1.167 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.271 0.360 2.794 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.632 -2.243 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.812 -1.494 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.231 -1.794 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.485 -0.126 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.141 -0.715 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.940 0.683 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.264 -0.474 4.869 1.00 0.00 H new ATOM 510 N VAL A 33 -8.203 -0.529 -0.233 1.00 0.00 N ATOM 511 CA VAL A 33 -8.231 0.208 -1.513 1.00 0.00 C ATOM 512 C VAL A 33 -9.660 0.277 -2.081 1.00 0.00 C ATOM 513 O VAL A 33 -10.157 1.368 -2.372 1.00 0.00 O ATOM 514 CB VAL A 33 -7.258 -0.437 -2.576 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.366 0.249 -3.968 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.797 -0.409 -2.069 1.00 0.00 C ATOM 0 H VAL A 33 -7.604 -1.354 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.887 1.221 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.568 -1.474 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.678 -0.230 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.385 0.154 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.111 1.305 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.144 -0.858 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.492 0.623 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.724 -0.972 -1.138 1.00 0.00 H new ATOM 526 N GLU A 34 -10.324 -0.889 -2.228 1.00 0.00 N ATOM 527 CA GLU A 34 -11.667 -0.942 -2.837 1.00 0.00 C ATOM 528 C GLU A 34 -12.731 -0.230 -1.964 1.00 0.00 C ATOM 529 O GLU A 34 -13.525 0.560 -2.492 1.00 0.00 O ATOM 530 CB GLU A 34 -12.090 -2.394 -3.184 1.00 0.00 C ATOM 531 CG GLU A 34 -12.203 -3.354 -1.990 1.00 0.00 C ATOM 532 CD GLU A 34 -12.729 -4.735 -2.390 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.919 -5.599 -2.768 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.959 -4.953 -2.344 1.00 0.00 O ATOM 0 H GLU A 34 -9.957 -1.795 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.606 -0.392 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.053 -2.361 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.369 -2.805 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.224 -3.464 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.866 -2.920 -1.242 1.00 0.00 H new ATOM 541 N THR A 35 -12.731 -0.483 -0.636 1.00 0.00 N ATOM 542 CA THR A 35 -13.713 0.109 0.300 1.00 0.00 C ATOM 543 C THR A 35 -13.488 1.623 0.489 1.00 0.00 C ATOM 544 O THR A 35 -14.453 2.390 0.641 1.00 0.00 O ATOM 545 CB THR A 35 -13.659 -0.610 1.697 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.339 -0.492 2.256 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.035 -2.105 1.596 1.00 0.00 C ATOM 0 H THR A 35 -12.055 -1.099 -0.185 1.00 0.00 H new ATOM 0 HA THR A 35 -14.698 -0.036 -0.142 1.00 0.00 H new ATOM 0 HB THR A 35 -14.389 -0.121 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.738 -1.127 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.984 -2.561 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.048 -2.200 1.205 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.339 -2.611 0.927 1.00 0.00 H new ATOM 555 N ASP A 36 -12.213 2.038 0.461 1.00 0.00 N ATOM 556 CA ASP A 36 -11.808 3.444 0.639 1.00 0.00 C ATOM 557 C ASP A 36 -10.557 3.731 -0.222 1.00 0.00 C ATOM 558 O ASP A 36 -9.428 3.478 0.219 1.00 0.00 O ATOM 559 CB ASP A 36 -11.512 3.754 2.134 1.00 0.00 C ATOM 560 CG ASP A 36 -11.373 5.266 2.414 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.288 5.821 2.219 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.368 5.904 2.821 1.00 0.00 O ATOM 0 H ASP A 36 -11.427 1.405 0.313 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.628 4.087 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.313 3.347 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.593 3.248 2.431 1.00 0.00 H new ATOM 567 N PRO A 37 -10.727 4.274 -1.469 1.00 0.00 N ATOM 568 CA PRO A 37 -9.584 4.575 -2.374 1.00 0.00 C ATOM 569 C PRO A 37 -8.741 5.782 -1.910 1.00 0.00 C ATOM 570 O PRO A 37 -7.721 6.090 -2.521 1.00 0.00 O ATOM 571 CB PRO A 37 -10.280 4.853 -3.728 1.00 0.00 C ATOM 572 CG PRO A 37 -11.620 5.395 -3.345 1.00 0.00 C ATOM 573 CD PRO A 37 -12.029 4.631 -2.100 1.00 0.00 C ATOM 0 HA PRO A 37 -8.862 3.759 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.717 5.569 -4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.373 3.944 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.568 6.466 -3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.344 5.253 -4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.642 5.242 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.612 3.744 -2.347 1.00 0.00 H new ATOM 581 N ASP A 38 -9.164 6.431 -0.821 1.00 0.00 N ATOM 582 CA ASP A 38 -8.549 7.670 -0.327 1.00 0.00 C ATOM 583 C ASP A 38 -7.493 7.385 0.753 1.00 0.00 C ATOM 584 O ASP A 38 -6.629 8.233 1.004 1.00 0.00 O ATOM 585 CB ASP A 38 -9.655 8.596 0.220 1.00 0.00 C ATOM 586 CG ASP A 38 -10.641 9.024 -0.877 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.643 8.309 -1.117 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.411 10.069 -1.518 1.00 0.00 O ATOM 0 H ASP A 38 -9.948 6.110 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.035 8.161 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.197 8.083 1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.200 9.481 0.664 1.00 0.00 H new ATOM 593 N TYR A 39 -7.592 6.206 1.412 1.00 0.00 N ATOM 594 CA TYR A 39 -6.651 5.791 2.467 1.00 0.00 C ATOM 595 C TYR A 39 -5.253 5.551 1.853 1.00 0.00 C ATOM 596 O TYR A 39 -4.944 4.457 1.366 1.00 0.00 O ATOM 597 CB TYR A 39 -7.170 4.528 3.223 1.00 0.00 C ATOM 598 CG TYR A 39 -6.500 4.280 4.594 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.318 3.545 4.706 1.00 0.00 C ATOM 600 CD2 TYR A 39 -7.051 4.787 5.776 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.721 3.313 5.924 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.453 4.556 7.004 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.288 3.816 7.067 1.00 0.00 C ATOM 604 OH TYR A 39 -4.689 3.582 8.282 1.00 0.00 O ATOM 0 H TYR A 39 -8.325 5.522 1.225 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.573 6.591 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.246 4.625 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.013 3.653 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.860 3.148 3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.959 5.369 5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.809 2.737 5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.895 4.952 7.907 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.017 2.875 8.185 1.00 0.00 H new ATOM 614 N VAL A 40 -4.428 6.608 1.888 1.00 0.00 N ATOM 615 CA VAL A 40 -3.107 6.662 1.233 1.00 0.00 C ATOM 616 C VAL A 40 -2.117 5.663 1.873 1.00 0.00 C ATOM 617 O VAL A 40 -1.322 5.031 1.168 1.00 0.00 O ATOM 618 CB VAL A 40 -2.513 8.120 1.304 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.182 8.225 0.531 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.532 9.163 0.783 1.00 0.00 C ATOM 0 H VAL A 40 -4.663 7.469 2.382 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.248 6.382 0.189 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.308 8.338 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.800 9.244 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.456 7.535 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.348 7.971 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.095 10.160 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.784 8.939 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.435 9.125 1.392 1.00 0.00 H new ATOM 630 N GLY A 41 -2.222 5.510 3.213 1.00 0.00 N ATOM 631 CA GLY A 41 -1.297 4.677 4.002 1.00 0.00 C ATOM 632 C GLY A 41 -1.221 3.227 3.525 1.00 0.00 C ATOM 633 O GLY A 41 -0.160 2.590 3.625 1.00 0.00 O ATOM 0 H GLY A 41 -2.948 5.960 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.301 5.117 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.609 4.691 5.046 1.00 0.00 H new ATOM 637 N THR A 42 -2.359 2.727 3.001 1.00 0.00 N ATOM 638 CA THR A 42 -2.469 1.389 2.411 1.00 0.00 C ATOM 639 C THR A 42 -1.450 1.184 1.283 1.00 0.00 C ATOM 640 O THR A 42 -0.641 0.266 1.344 1.00 0.00 O ATOM 641 CB THR A 42 -3.898 1.159 1.833 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.854 1.269 2.875 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.036 -0.209 1.155 1.00 0.00 C ATOM 0 H THR A 42 -3.234 3.252 2.978 1.00 0.00 H new ATOM 0 HA THR A 42 -2.268 0.674 3.209 1.00 0.00 H new ATOM 0 HB THR A 42 -4.073 1.922 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.643 1.747 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.049 -0.323 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.323 -0.281 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.834 -0.997 1.881 1.00 0.00 H new ATOM 651 N TYR A 43 -1.499 2.099 0.299 1.00 0.00 N ATOM 652 CA TYR A 43 -0.837 1.944 -1.007 1.00 0.00 C ATOM 653 C TYR A 43 0.675 1.675 -0.894 1.00 0.00 C ATOM 654 O TYR A 43 1.212 0.862 -1.660 1.00 0.00 O ATOM 655 CB TYR A 43 -1.116 3.178 -1.900 1.00 0.00 C ATOM 656 CG TYR A 43 -2.594 3.305 -2.311 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.083 2.633 -3.435 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.499 4.072 -1.574 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.402 2.727 -3.808 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.826 4.165 -1.950 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.265 3.488 -3.069 1.00 0.00 C ATOM 662 OH TYR A 43 -6.579 3.577 -3.449 1.00 0.00 O ATOM 0 H TYR A 43 -2.007 2.979 0.390 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.266 1.058 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.815 4.080 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.500 3.117 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.410 2.027 -4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.157 4.601 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.756 2.201 -4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.514 4.764 -1.372 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.939 4.448 -3.180 1.00 0.00 H new ATOM 672 N TYR A 44 1.350 2.362 0.044 1.00 0.00 N ATOM 673 CA TYR A 44 2.780 2.133 0.316 1.00 0.00 C ATOM 674 C TYR A 44 3.048 0.685 0.759 1.00 0.00 C ATOM 675 O TYR A 44 3.769 -0.037 0.086 1.00 0.00 O ATOM 676 CB TYR A 44 3.303 3.137 1.377 1.00 0.00 C ATOM 677 CG TYR A 44 4.837 3.187 1.475 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.597 3.704 0.424 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.520 2.730 2.607 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.973 3.766 0.502 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.897 2.790 2.688 1.00 0.00 C ATOM 682 CZ TYR A 44 7.618 3.309 1.633 1.00 0.00 C ATOM 683 OH TYR A 44 8.992 3.382 1.709 1.00 0.00 O ATOM 0 H TYR A 44 0.926 3.083 0.628 1.00 0.00 H new ATOM 0 HA TYR A 44 3.323 2.297 -0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.930 4.133 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.894 2.869 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.099 4.061 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.959 2.322 3.435 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.544 4.171 -0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.406 2.433 3.571 1.00 0.00 H new ATOM 0 HH TYR A 44 9.292 3.021 2.569 1.00 0.00 H new ATOM 693 N HIS A 45 2.415 0.272 1.869 1.00 0.00 N ATOM 694 CA HIS A 45 2.635 -1.059 2.497 1.00 0.00 C ATOM 695 C HIS A 45 2.099 -2.218 1.631 1.00 0.00 C ATOM 696 O HIS A 45 2.620 -3.333 1.698 1.00 0.00 O ATOM 697 CB HIS A 45 2.044 -1.091 3.931 1.00 0.00 C ATOM 698 CG HIS A 45 2.837 -0.261 4.908 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.444 -0.776 6.032 1.00 0.00 N ATOM 700 CD2 HIS A 45 3.157 1.056 4.891 1.00 0.00 C ATOM 701 CE1 HIS A 45 4.100 0.181 6.650 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.942 1.299 5.983 1.00 0.00 N ATOM 0 H HIS A 45 1.733 0.847 2.364 1.00 0.00 H new ATOM 0 HA HIS A 45 3.712 -1.210 2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.016 -0.729 3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.009 -2.122 4.282 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.849 1.780 4.151 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.674 0.066 7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.340 2.203 6.238 1.00 0.00 H new ATOM 711 N LEU A 46 1.068 -1.935 0.823 1.00 0.00 N ATOM 712 CA LEU A 46 0.510 -2.893 -0.151 1.00 0.00 C ATOM 713 C LEU A 46 1.516 -3.124 -1.289 1.00 0.00 C ATOM 714 O LEU A 46 1.787 -4.270 -1.671 1.00 0.00 O ATOM 715 CB LEU A 46 -0.843 -2.370 -0.709 1.00 0.00 C ATOM 716 CG LEU A 46 -1.526 -3.218 -1.842 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.700 -4.699 -1.442 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.882 -2.610 -2.257 1.00 0.00 C ATOM 0 H LEU A 46 0.593 -1.032 0.824 1.00 0.00 H new ATOM 0 HA LEU A 46 0.325 -3.844 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.543 -2.290 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.684 -1.361 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.854 -3.187 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.176 -5.243 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.724 -5.137 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.323 -4.764 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.329 -3.220 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.548 -2.584 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.728 -1.597 -2.628 1.00 0.00 H new ATOM 730 N GLY A 47 2.080 -2.018 -1.798 1.00 0.00 N ATOM 731 CA GLY A 47 3.052 -2.062 -2.881 1.00 0.00 C ATOM 732 C GLY A 47 4.389 -2.645 -2.443 1.00 0.00 C ATOM 733 O GLY A 47 5.060 -3.318 -3.219 1.00 0.00 O ATOM 0 H GLY A 47 1.871 -1.076 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.651 -2.658 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.208 -1.054 -3.266 1.00 0.00 H new ATOM 737 N LYS A 48 4.773 -2.369 -1.186 1.00 0.00 N ATOM 738 CA LYS A 48 6.024 -2.882 -0.594 1.00 0.00 C ATOM 739 C LYS A 48 5.931 -4.383 -0.376 1.00 0.00 C ATOM 740 O LYS A 48 6.920 -5.107 -0.537 1.00 0.00 O ATOM 741 CB LYS A 48 6.354 -2.147 0.736 1.00 0.00 C ATOM 742 CG LYS A 48 6.860 -0.706 0.528 1.00 0.00 C ATOM 743 CD LYS A 48 8.146 -0.673 -0.324 1.00 0.00 C ATOM 744 CE LYS A 48 8.534 0.731 -0.778 1.00 0.00 C ATOM 745 NZ LYS A 48 9.708 0.688 -1.669 1.00 0.00 N ATOM 0 H LYS A 48 4.228 -1.786 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 48 6.838 -2.686 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.462 -2.124 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.109 -2.715 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.085 -0.114 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.052 -0.244 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.966 -1.100 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.009 -1.306 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.695 1.195 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.754 1.351 0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.566 1.345 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.558 0.966 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.830 -0.277 -2.036 1.00 0.00 H new ATOM 759 N LEU A 49 4.727 -4.834 -0.013 1.00 0.00 N ATOM 760 CA LEU A 49 4.422 -6.256 0.126 1.00 0.00 C ATOM 761 C LEU A 49 4.486 -6.944 -1.248 1.00 0.00 C ATOM 762 O LEU A 49 5.018 -8.047 -1.355 1.00 0.00 O ATOM 763 CB LEU A 49 3.045 -6.446 0.798 1.00 0.00 C ATOM 764 CG LEU A 49 2.594 -7.919 1.047 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.694 -8.742 1.765 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.270 -7.953 1.839 1.00 0.00 C ATOM 0 H LEU A 49 3.938 -4.221 0.192 1.00 0.00 H new ATOM 0 HA LEU A 49 5.167 -6.724 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.057 -5.925 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.292 -5.958 0.179 1.00 0.00 H new ATOM 0 HG LEU A 49 2.427 -8.384 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.342 -9.762 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.595 -8.758 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.920 -8.285 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.971 -8.988 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.408 -7.458 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.494 -7.437 1.273 1.00 0.00 H new ATOM 778 N TYR A 50 3.971 -6.255 -2.292 1.00 0.00 N ATOM 779 CA TYR A 50 4.089 -6.716 -3.687 1.00 0.00 C ATOM 780 C TYR A 50 5.570 -6.895 -4.078 1.00 0.00 C ATOM 781 O TYR A 50 5.935 -7.946 -4.585 1.00 0.00 O ATOM 782 CB TYR A 50 3.382 -5.749 -4.683 1.00 0.00 C ATOM 783 CG TYR A 50 1.850 -5.852 -4.731 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.213 -7.093 -4.791 1.00 0.00 C ATOM 785 CD2 TYR A 50 1.039 -4.712 -4.760 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.162 -7.191 -4.873 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.334 -4.813 -4.837 1.00 0.00 C ATOM 788 CZ TYR A 50 -0.929 -6.051 -4.892 1.00 0.00 C ATOM 789 OH TYR A 50 -2.302 -6.150 -4.975 1.00 0.00 O ATOM 0 H TYR A 50 3.468 -5.374 -2.189 1.00 0.00 H new ATOM 0 HA TYR A 50 3.586 -7.681 -3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.652 -4.726 -4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.773 -5.936 -5.683 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.808 -7.994 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.497 -3.735 -4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.633 -8.161 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.941 -3.920 -4.854 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.593 -6.997 -4.578 1.00 0.00 H new ATOM 799 N GLU A 51 6.414 -5.880 -3.791 1.00 0.00 N ATOM 800 CA GLU A 51 7.873 -5.930 -4.067 1.00 0.00 C ATOM 801 C GLU A 51 8.531 -7.177 -3.411 1.00 0.00 C ATOM 802 O GLU A 51 9.383 -7.836 -4.021 1.00 0.00 O ATOM 803 CB GLU A 51 8.581 -4.644 -3.561 1.00 0.00 C ATOM 804 CG GLU A 51 8.220 -3.326 -4.298 1.00 0.00 C ATOM 805 CD GLU A 51 8.961 -2.072 -3.761 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.890 -2.204 -2.925 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.621 -0.938 -4.162 1.00 0.00 O ATOM 0 H GLU A 51 6.109 -5.006 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 51 7.992 -5.999 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.349 -4.519 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.658 -4.794 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.447 -3.442 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.146 -3.161 -4.218 1.00 0.00 H new ATOM 814 N ARG A 52 8.096 -7.499 -2.172 1.00 0.00 N ATOM 815 CA ARG A 52 8.576 -8.684 -1.421 1.00 0.00 C ATOM 816 C ARG A 52 8.127 -9.998 -2.102 1.00 0.00 C ATOM 817 O ARG A 52 8.879 -10.973 -2.142 1.00 0.00 O ATOM 818 CB ARG A 52 8.055 -8.659 0.041 1.00 0.00 C ATOM 819 CG ARG A 52 8.561 -7.489 0.905 1.00 0.00 C ATOM 820 CD ARG A 52 8.010 -7.554 2.343 1.00 0.00 C ATOM 821 NE ARG A 52 8.466 -8.764 3.064 1.00 0.00 N ATOM 822 CZ ARG A 52 7.691 -9.597 3.788 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.377 -9.399 3.900 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.249 -10.630 4.407 1.00 0.00 N ATOM 0 H ARG A 52 7.404 -6.947 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 52 9.665 -8.645 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.966 -8.627 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.337 -9.594 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.651 -7.504 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.266 -6.545 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.325 -6.666 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.920 -7.540 2.313 1.00 0.00 H new ATOM 0 HE ARG A 52 9.459 -8.989 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.939 -8.605 3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.810 -10.042 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.254 -10.787 4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.673 -11.267 4.957 1.00 0.00 H new ATOM 838 N LEU A 53 6.898 -9.991 -2.648 1.00 0.00 N ATOM 839 CA LEU A 53 6.297 -11.149 -3.353 1.00 0.00 C ATOM 840 C LEU A 53 6.770 -11.250 -4.824 1.00 0.00 C ATOM 841 O LEU A 53 6.267 -12.102 -5.569 1.00 0.00 O ATOM 842 CB LEU A 53 4.749 -11.022 -3.291 1.00 0.00 C ATOM 843 CG LEU A 53 4.120 -11.041 -1.861 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.623 -10.661 -1.898 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.339 -12.409 -1.175 1.00 0.00 C ATOM 0 H LEU A 53 6.285 -9.177 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 53 6.624 -12.062 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.460 -10.093 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.313 -11.837 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 53 4.632 -10.286 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.217 -10.684 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.512 -9.658 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.082 -11.372 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.891 -12.394 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.873 -13.194 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.408 -12.606 -1.088 1.00 0.00 H new ATOM 857 N ASP A 54 7.750 -10.398 -5.217 1.00 0.00 N ATOM 858 CA ASP A 54 8.240 -10.278 -6.607 1.00 0.00 C ATOM 859 C ASP A 54 7.066 -9.992 -7.587 1.00 0.00 C ATOM 860 O ASP A 54 6.935 -10.587 -8.660 1.00 0.00 O ATOM 861 CB ASP A 54 9.081 -11.540 -6.987 1.00 0.00 C ATOM 862 CG ASP A 54 9.890 -11.372 -8.289 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.963 -10.727 -8.250 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.469 -11.879 -9.353 1.00 0.00 O ATOM 0 H ASP A 54 8.225 -9.770 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 54 8.907 -9.420 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.766 -11.770 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.412 -12.394 -7.092 1.00 0.00 H new ATOM 869 N ARG A 55 6.181 -9.089 -7.149 1.00 0.00 N ATOM 870 CA ARG A 55 5.059 -8.555 -7.934 1.00 0.00 C ATOM 871 C ARG A 55 5.286 -7.050 -8.161 1.00 0.00 C ATOM 872 O ARG A 55 4.458 -6.211 -7.790 1.00 0.00 O ATOM 873 CB ARG A 55 3.720 -8.820 -7.178 1.00 0.00 C ATOM 874 CG ARG A 55 3.416 -10.307 -6.880 1.00 0.00 C ATOM 875 CD ARG A 55 3.390 -11.179 -8.150 1.00 0.00 C ATOM 876 NE ARG A 55 2.453 -10.653 -9.165 1.00 0.00 N ATOM 877 CZ ARG A 55 1.580 -11.369 -9.879 1.00 0.00 C ATOM 878 NH1 ARG A 55 1.474 -12.687 -9.718 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.800 -10.748 -10.753 1.00 0.00 N ATOM 0 H ARG A 55 6.226 -8.697 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 55 5.000 -9.050 -8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.739 -8.273 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.901 -8.409 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.168 -10.696 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.453 -10.382 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.393 -11.231 -8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.103 -12.197 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 55 2.475 -9.648 -9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.066 -13.167 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.801 -13.216 -10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.872 -9.738 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.128 -11.281 -11.306 1.00 0.00 H new ATOM 893 N THR A 56 6.445 -6.734 -8.768 1.00 0.00 N ATOM 894 CA THR A 56 6.896 -5.350 -9.023 1.00 0.00 C ATOM 895 C THR A 56 5.850 -4.535 -9.815 1.00 0.00 C ATOM 896 O THR A 56 5.559 -3.396 -9.471 1.00 0.00 O ATOM 897 CB THR A 56 8.257 -5.362 -9.794 1.00 0.00 C ATOM 898 OG1 THR A 56 9.220 -6.124 -9.051 1.00 0.00 O ATOM 899 CG2 THR A 56 8.815 -3.946 -10.039 1.00 0.00 C ATOM 0 H THR A 56 7.103 -7.439 -9.100 1.00 0.00 H new ATOM 0 HA THR A 56 7.027 -4.866 -8.055 1.00 0.00 H new ATOM 0 HB THR A 56 8.071 -5.814 -10.768 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.073 -6.134 -9.534 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.760 -4.016 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.102 -3.371 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.978 -3.449 -9.083 1.00 0.00 H new ATOM 907 N ASP A 57 5.246 -5.176 -10.832 1.00 0.00 N ATOM 908 CA ASP A 57 4.282 -4.529 -11.745 1.00 0.00 C ATOM 909 C ASP A 57 2.988 -4.130 -11.003 1.00 0.00 C ATOM 910 O ASP A 57 2.424 -3.054 -11.255 1.00 0.00 O ATOM 911 CB ASP A 57 3.965 -5.460 -12.943 1.00 0.00 C ATOM 912 CG ASP A 57 3.284 -6.775 -12.531 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.961 -7.634 -11.922 1.00 0.00 O ATOM 914 OD2 ASP A 57 2.075 -6.945 -12.796 1.00 0.00 O ATOM 0 H ASP A 57 5.412 -6.159 -11.046 1.00 0.00 H new ATOM 0 HA ASP A 57 4.738 -3.616 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.321 -4.930 -13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.891 -5.689 -13.471 1.00 0.00 H new ATOM 919 N ASP A 58 2.548 -5.006 -10.076 1.00 0.00 N ATOM 920 CA ASP A 58 1.389 -4.747 -9.201 1.00 0.00 C ATOM 921 C ASP A 58 1.682 -3.561 -8.276 1.00 0.00 C ATOM 922 O ASP A 58 0.813 -2.716 -8.053 1.00 0.00 O ATOM 923 CB ASP A 58 1.051 -5.996 -8.353 1.00 0.00 C ATOM 924 CG ASP A 58 0.588 -7.192 -9.190 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.445 -7.914 -9.736 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.637 -7.410 -9.323 1.00 0.00 O ATOM 0 H ASP A 58 2.987 -5.912 -9.914 1.00 0.00 H new ATOM 0 HA ASP A 58 0.532 -4.511 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.930 -6.284 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.271 -5.739 -7.637 1.00 0.00 H new ATOM 931 N ALA A 59 2.934 -3.521 -7.762 1.00 0.00 N ATOM 932 CA ALA A 59 3.423 -2.449 -6.876 1.00 0.00 C ATOM 933 C ALA A 59 3.324 -1.076 -7.564 1.00 0.00 C ATOM 934 O ALA A 59 2.773 -0.145 -6.990 1.00 0.00 O ATOM 935 CB ALA A 59 4.874 -2.733 -6.432 1.00 0.00 C ATOM 0 H ALA A 59 3.634 -4.238 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 59 2.789 -2.427 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.218 -1.931 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.911 -3.680 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.519 -2.788 -7.309 1.00 0.00 H new ATOM 941 N ILE A 60 3.823 -0.992 -8.820 1.00 0.00 N ATOM 942 CA ILE A 60 3.868 0.271 -9.608 1.00 0.00 C ATOM 943 C ILE A 60 2.465 0.881 -9.762 1.00 0.00 C ATOM 944 O ILE A 60 2.279 2.089 -9.590 1.00 0.00 O ATOM 945 CB ILE A 60 4.488 0.066 -11.049 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.862 -0.670 -10.984 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.623 1.418 -11.803 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.902 -0.014 -10.102 1.00 0.00 C ATOM 0 H ILE A 60 4.206 -1.795 -9.319 1.00 0.00 H new ATOM 0 HA ILE A 60 4.511 0.949 -9.046 1.00 0.00 H new ATOM 0 HB ILE A 60 3.799 -0.566 -11.609 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.695 -1.687 -10.628 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.263 -0.748 -11.995 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.052 1.243 -12.790 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.639 1.874 -11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.273 2.086 -11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.820 -0.601 -10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.106 0.993 -10.467 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.530 0.040 -9.079 1.00 0.00 H new ATOM 960 N ASP A 61 1.495 0.006 -10.074 1.00 0.00 N ATOM 961 CA ASP A 61 0.085 0.386 -10.285 1.00 0.00 C ATOM 962 C ASP A 61 -0.547 0.907 -8.976 1.00 0.00 C ATOM 963 O ASP A 61 -1.308 1.889 -8.986 1.00 0.00 O ATOM 964 CB ASP A 61 -0.716 -0.827 -10.825 1.00 0.00 C ATOM 965 CG ASP A 61 -2.163 -0.467 -11.217 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.365 0.070 -12.334 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.096 -0.699 -10.416 1.00 0.00 O ATOM 0 H ASP A 61 1.667 -0.993 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 61 0.051 1.190 -11.020 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.201 -1.237 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.735 -1.610 -10.067 1.00 0.00 H new ATOM 972 N THR A 62 -0.215 0.224 -7.868 1.00 0.00 N ATOM 973 CA THR A 62 -0.669 0.583 -6.515 1.00 0.00 C ATOM 974 C THR A 62 -0.170 1.991 -6.117 1.00 0.00 C ATOM 975 O THR A 62 -0.949 2.826 -5.644 1.00 0.00 O ATOM 976 CB THR A 62 -0.171 -0.480 -5.477 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.607 -1.785 -5.873 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.674 -0.196 -4.056 1.00 0.00 C ATOM 0 H THR A 62 0.383 -0.602 -7.887 1.00 0.00 H new ATOM 0 HA THR A 62 -1.759 0.596 -6.516 1.00 0.00 H new ATOM 0 HB THR A 62 0.918 -0.425 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.075 -2.090 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.300 -0.963 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.316 0.781 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.764 -0.205 -4.047 1.00 0.00 H new ATOM 986 N TYR A 63 1.131 2.238 -6.333 1.00 0.00 N ATOM 987 CA TYR A 63 1.763 3.530 -6.029 1.00 0.00 C ATOM 988 C TYR A 63 1.176 4.647 -6.907 1.00 0.00 C ATOM 989 O TYR A 63 0.860 5.711 -6.399 1.00 0.00 O ATOM 990 CB TYR A 63 3.291 3.464 -6.225 1.00 0.00 C ATOM 991 CG TYR A 63 4.021 2.480 -5.296 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.776 2.462 -3.923 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.964 1.577 -5.795 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.432 1.581 -3.093 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.621 0.699 -4.966 1.00 0.00 C ATOM 996 CZ TYR A 63 5.351 0.710 -3.617 1.00 0.00 C ATOM 997 OH TYR A 63 6.016 -0.143 -2.785 1.00 0.00 O ATOM 0 H TYR A 63 1.773 1.548 -6.723 1.00 0.00 H new ATOM 0 HA TYR A 63 1.556 3.755 -4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.498 3.187 -7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.706 4.460 -6.073 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.059 3.152 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.181 1.569 -6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.223 1.576 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.344 0.006 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 63 6.859 -0.417 -3.203 1.00 0.00 H new ATOM 1007 N ALA A 64 1.025 4.365 -8.219 1.00 0.00 N ATOM 1008 CA ALA A 64 0.482 5.308 -9.222 1.00 0.00 C ATOM 1009 C ALA A 64 -0.927 5.813 -8.839 1.00 0.00 C ATOM 1010 O ALA A 64 -1.205 7.021 -8.881 1.00 0.00 O ATOM 1011 CB ALA A 64 0.449 4.643 -10.608 1.00 0.00 C ATOM 0 H ALA A 64 1.281 3.462 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 64 1.143 6.174 -9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.048 5.345 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.460 4.355 -10.898 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.184 3.756 -10.571 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.799 4.866 -8.455 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.177 5.156 -8.013 1.00 0.00 C ATOM 1019 C GLN A 65 -3.119 5.954 -6.699 1.00 0.00 C ATOM 1020 O GLN A 65 -3.897 6.894 -6.480 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.972 3.811 -7.842 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.497 3.872 -8.166 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.465 4.111 -6.981 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.587 3.609 -6.990 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.097 4.910 -5.992 1.00 0.00 N ATOM 0 H GLN A 65 -1.569 3.872 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.700 5.755 -8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.514 3.058 -8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.853 3.470 -6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.655 4.665 -8.896 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.778 2.935 -8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.165 5.323 -5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.746 5.112 -5.231 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.178 5.543 -5.837 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.934 6.183 -4.556 1.00 0.00 C ATOM 1036 C GLY A 66 -1.502 7.639 -4.682 1.00 0.00 C ATOM 1037 O GLY A 66 -1.907 8.446 -3.876 1.00 0.00 O ATOM 0 H GLY A 66 -1.564 4.749 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.841 6.131 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.164 5.628 -4.021 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.689 7.954 -5.706 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.142 9.316 -5.948 1.00 0.00 C ATOM 1043 C ILE A 67 -1.274 10.350 -6.096 1.00 0.00 C ATOM 1044 O ILE A 67 -1.215 11.448 -5.527 1.00 0.00 O ATOM 1045 CB ILE A 67 0.788 9.320 -7.236 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.117 8.547 -6.959 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.084 10.752 -7.769 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.014 8.365 -8.166 1.00 0.00 C ATOM 0 H ILE A 67 -0.386 7.270 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 67 0.459 9.597 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 67 0.234 8.806 -8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.675 9.078 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.871 7.564 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.724 10.688 -8.649 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.147 11.242 -8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.588 11.331 -6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.910 7.818 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.481 7.805 -8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.297 9.341 -8.560 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.317 9.948 -6.831 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.487 10.789 -7.120 1.00 0.00 C ATOM 1062 C GLU A 68 -4.221 11.172 -5.823 1.00 0.00 C ATOM 1063 O GLU A 68 -4.579 12.329 -5.617 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.432 10.026 -8.075 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.754 9.561 -9.379 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.692 8.758 -10.289 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.488 9.373 -11.030 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -4.646 7.508 -10.266 1.00 0.00 O ATOM 0 H GLU A 68 -2.374 9.019 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.157 11.712 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.834 9.156 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.277 10.668 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.388 10.432 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.885 8.951 -9.133 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.407 10.180 -4.949 1.00 0.00 N ATOM 1076 CA VAL A 69 -5.092 10.370 -3.657 1.00 0.00 C ATOM 1077 C VAL A 69 -4.130 10.914 -2.572 1.00 0.00 C ATOM 1078 O VAL A 69 -4.574 11.427 -1.560 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.832 9.066 -3.181 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.849 8.598 -4.255 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.851 7.931 -2.805 1.00 0.00 C ATOM 0 H VAL A 69 -4.090 9.224 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.860 11.127 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.376 9.316 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.352 7.695 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.587 9.383 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.323 8.387 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.414 7.055 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.243 7.673 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.203 8.264 -1.994 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.815 10.769 -2.790 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.770 11.186 -1.814 1.00 0.00 C ATOM 1093 C ALA A 70 -1.634 12.705 -1.755 1.00 0.00 C ATOM 1094 O ALA A 70 -1.568 13.293 -0.677 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.422 10.547 -2.160 1.00 0.00 C ATOM 0 H ALA A 70 -2.435 10.361 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.083 10.838 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.328 10.864 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.516 9.461 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.117 10.860 -3.158 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.587 13.325 -2.938 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.473 14.788 -3.084 1.00 0.00 C ATOM 1103 C ARG A 71 -2.738 15.509 -2.566 1.00 0.00 C ATOM 1104 O ARG A 71 -2.660 16.651 -2.100 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.189 15.145 -4.574 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.258 14.631 -5.559 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.927 14.899 -7.034 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.990 14.383 -7.924 1.00 0.00 N ATOM 1109 CZ ARG A 71 -2.915 14.327 -9.262 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -1.831 14.728 -9.902 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -3.943 13.871 -9.952 1.00 0.00 N ATOM 0 H ARG A 71 -1.627 12.828 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.639 15.135 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.114 16.228 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.221 14.732 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.385 13.558 -5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.213 15.100 -5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.805 15.970 -7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.977 14.429 -7.287 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.846 14.043 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.033 15.088 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.792 14.678 -10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.787 13.564 -9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.894 13.825 -10.970 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.897 14.826 -2.659 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.202 15.397 -2.279 1.00 0.00 C ATOM 1127 C GLU A 72 -5.545 15.138 -0.794 1.00 0.00 C ATOM 1128 O GLU A 72 -5.879 16.070 -0.050 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.306 14.831 -3.211 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.041 15.059 -4.716 1.00 0.00 C ATOM 1131 CD GLU A 72 -5.837 16.539 -5.106 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -6.839 17.253 -5.309 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.677 16.996 -5.225 1.00 0.00 O ATOM 0 H GLU A 72 -3.953 13.866 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.145 16.479 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.406 13.761 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.259 15.290 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.156 14.493 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.879 14.657 -5.286 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.472 13.864 -0.377 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.859 13.431 0.986 1.00 0.00 C ATOM 1142 C GLU A 73 -4.685 13.536 1.963 1.00 0.00 C ATOM 1143 O GLU A 73 -4.818 14.144 3.034 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.396 11.975 0.978 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.574 11.743 0.016 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.757 12.703 0.239 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.268 12.790 1.378 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.178 13.387 -0.715 1.00 0.00 O ATOM 0 H GLU A 73 -5.144 13.102 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.651 14.102 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.583 11.301 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.708 11.709 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.220 11.850 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.925 10.717 0.127 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.529 12.954 1.590 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.376 12.894 2.489 1.00 0.00 C ATOM 1157 C GLY A 74 -1.486 14.124 2.355 1.00 0.00 C ATOM 1158 O GLY A 74 -1.897 15.142 1.775 1.00 0.00 O ATOM 0 H GLY A 74 -3.376 12.524 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.723 12.807 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.793 11.999 2.272 1.00 0.00 H new ATOM 1162 N THR A 75 -0.271 14.040 2.906 1.00 0.00 N ATOM 1163 CA THR A 75 0.726 15.119 2.819 1.00 0.00 C ATOM 1164 C THR A 75 1.739 14.842 1.694 1.00 0.00 C ATOM 1165 O THR A 75 1.697 13.788 1.042 1.00 0.00 O ATOM 1166 CB THR A 75 1.470 15.304 4.183 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.104 14.075 4.573 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.510 15.756 5.295 1.00 0.00 C ATOM 0 H THR A 75 0.052 13.224 3.425 1.00 0.00 H new ATOM 0 HA THR A 75 0.196 16.043 2.587 1.00 0.00 H new ATOM 0 HB THR A 75 2.222 16.080 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.483 13.329 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.063 15.874 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.056 16.708 5.019 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.271 15.007 5.428 1.00 0.00 H new ATOM 1176 N GLN A 76 2.650 15.815 1.479 1.00 0.00 N ATOM 1177 CA GLN A 76 3.786 15.689 0.540 1.00 0.00 C ATOM 1178 C GLN A 76 4.673 14.483 0.908 1.00 0.00 C ATOM 1179 O GLN A 76 5.276 13.874 0.036 1.00 0.00 O ATOM 1180 CB GLN A 76 4.617 17.007 0.547 1.00 0.00 C ATOM 1181 CG GLN A 76 5.942 17.010 -0.280 1.00 0.00 C ATOM 1182 CD GLN A 76 5.807 17.226 -1.798 1.00 0.00 C ATOM 1183 OE1 GLN A 76 6.709 17.790 -2.422 1.00 0.00 O ATOM 1184 NE2 GLN A 76 4.728 16.776 -2.417 1.00 0.00 N ATOM 0 H GLN A 76 2.618 16.716 1.955 1.00 0.00 H new ATOM 0 HA GLN A 76 3.396 15.519 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.982 17.811 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.862 17.248 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.591 17.790 0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.449 16.059 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.991 16.312 -1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.633 16.893 -3.426 1.00 0.00 H new ATOM 1193 N LYS A 77 4.714 14.160 2.212 1.00 0.00 N ATOM 1194 CA LYS A 77 5.441 13.003 2.754 1.00 0.00 C ATOM 1195 C LYS A 77 4.917 11.682 2.144 1.00 0.00 C ATOM 1196 O LYS A 77 5.695 10.908 1.586 1.00 0.00 O ATOM 1197 CB LYS A 77 5.268 12.996 4.296 1.00 0.00 C ATOM 1198 CG LYS A 77 5.774 11.729 5.023 1.00 0.00 C ATOM 1199 CD LYS A 77 5.350 11.691 6.515 1.00 0.00 C ATOM 1200 CE LYS A 77 3.819 11.739 6.700 1.00 0.00 C ATOM 1201 NZ LYS A 77 3.134 10.617 6.004 1.00 0.00 N ATOM 0 H LYS A 77 4.235 14.705 2.929 1.00 0.00 H new ATOM 0 HA LYS A 77 6.497 13.083 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.791 13.860 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.210 13.125 4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.388 10.845 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.861 11.685 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.739 10.783 6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.802 12.534 7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.582 11.704 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.438 12.687 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.109 10.680 6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.324 10.674 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.489 9.712 6.372 1.00 0.00 H new ATOM 1215 N ASP A 78 3.585 11.476 2.210 1.00 0.00 N ATOM 1216 CA ASP A 78 2.919 10.250 1.696 1.00 0.00 C ATOM 1217 C ASP A 78 3.096 10.145 0.182 1.00 0.00 C ATOM 1218 O ASP A 78 3.442 9.082 -0.349 1.00 0.00 O ATOM 1219 CB ASP A 78 1.407 10.262 2.042 1.00 0.00 C ATOM 1220 CG ASP A 78 1.144 10.337 3.552 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.135 9.286 4.222 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.991 11.456 4.088 1.00 0.00 O ATOM 0 H ASP A 78 2.938 12.150 2.619 1.00 0.00 H new ATOM 0 HA ASP A 78 3.384 9.387 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.934 11.113 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.940 9.363 1.640 1.00 0.00 H new ATOM 1227 N LEU A 79 2.871 11.287 -0.485 1.00 0.00 N ATOM 1228 CA LEU A 79 3.029 11.444 -1.934 1.00 0.00 C ATOM 1229 C LEU A 79 4.447 11.054 -2.389 1.00 0.00 C ATOM 1230 O LEU A 79 4.620 10.272 -3.330 1.00 0.00 O ATOM 1231 CB LEU A 79 2.708 12.917 -2.307 1.00 0.00 C ATOM 1232 CG LEU A 79 2.804 13.294 -3.813 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.815 12.469 -4.659 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.582 14.805 -4.020 1.00 0.00 C ATOM 0 H LEU A 79 2.568 12.143 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 79 2.339 10.775 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.698 13.142 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.386 13.564 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 79 3.812 13.053 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.906 12.755 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.041 11.408 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.797 12.659 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.654 15.041 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.593 15.081 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.341 15.363 -3.472 1.00 0.00 H new ATOM 1246 N SER A 80 5.443 11.560 -1.647 1.00 0.00 N ATOM 1247 CA SER A 80 6.867 11.379 -1.953 1.00 0.00 C ATOM 1248 C SER A 80 7.284 9.909 -1.759 1.00 0.00 C ATOM 1249 O SER A 80 8.124 9.408 -2.502 1.00 0.00 O ATOM 1250 CB SER A 80 7.718 12.323 -1.074 1.00 0.00 C ATOM 1251 OG SER A 80 9.084 12.318 -1.451 1.00 0.00 O ATOM 0 H SER A 80 5.278 12.114 -0.806 1.00 0.00 H new ATOM 0 HA SER A 80 7.039 11.634 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.326 13.337 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.630 12.023 -0.030 1.00 0.00 H new ATOM 0 HG SER A 80 9.586 12.929 -0.871 1.00 0.00 H new ATOM 1257 N GLU A 81 6.660 9.226 -0.777 1.00 0.00 N ATOM 1258 CA GLU A 81 6.916 7.799 -0.498 1.00 0.00 C ATOM 1259 C GLU A 81 6.501 6.915 -1.691 1.00 0.00 C ATOM 1260 O GLU A 81 7.264 6.048 -2.132 1.00 0.00 O ATOM 1261 CB GLU A 81 6.165 7.358 0.794 1.00 0.00 C ATOM 1262 CG GLU A 81 6.744 7.929 2.102 1.00 0.00 C ATOM 1263 CD GLU A 81 8.202 7.504 2.339 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.433 6.381 2.832 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.129 8.272 1.998 1.00 0.00 O ATOM 0 H GLU A 81 5.967 9.647 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 81 7.987 7.671 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.121 7.661 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.178 6.270 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.686 9.017 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.132 7.598 2.941 1.00 0.00 H new ATOM 1272 N LEU A 82 5.288 7.167 -2.200 1.00 0.00 N ATOM 1273 CA LEU A 82 4.694 6.400 -3.315 1.00 0.00 C ATOM 1274 C LEU A 82 5.445 6.638 -4.637 1.00 0.00 C ATOM 1275 O LEU A 82 5.694 5.695 -5.398 1.00 0.00 O ATOM 1276 CB LEU A 82 3.205 6.784 -3.455 1.00 0.00 C ATOM 1277 CG LEU A 82 2.349 6.508 -2.182 1.00 0.00 C ATOM 1278 CD1 LEU A 82 0.930 7.057 -2.323 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.324 5.005 -1.844 1.00 0.00 C ATOM 0 H LEU A 82 4.684 7.911 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 82 4.780 5.337 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.137 7.844 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.777 6.233 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 82 2.824 7.035 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.366 6.844 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.971 8.135 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.440 6.584 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.720 4.843 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.894 4.451 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.340 4.656 -1.662 1.00 0.00 H new ATOM 1291 N GLN A 83 5.821 7.909 -4.872 1.00 0.00 N ATOM 1292 CA GLN A 83 6.565 8.331 -6.077 1.00 0.00 C ATOM 1293 C GLN A 83 7.966 7.691 -6.103 1.00 0.00 C ATOM 1294 O GLN A 83 8.384 7.132 -7.122 1.00 0.00 O ATOM 1295 CB GLN A 83 6.661 9.886 -6.126 1.00 0.00 C ATOM 1296 CG GLN A 83 5.312 10.588 -6.383 1.00 0.00 C ATOM 1297 CD GLN A 83 5.351 12.116 -6.303 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.630 12.800 -7.022 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.147 12.667 -5.400 1.00 0.00 N ATOM 0 H GLN A 83 5.617 8.675 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 83 6.026 7.989 -6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.072 10.245 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.363 10.172 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.952 10.300 -7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.585 10.220 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.738 12.078 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.170 13.681 -5.291 1.00 0.00 H new ATOM 1308 N ASP A 84 8.645 7.752 -4.946 1.00 0.00 N ATOM 1309 CA ASP A 84 10.008 7.211 -4.753 1.00 0.00 C ATOM 1310 C ASP A 84 10.037 5.698 -5.014 1.00 0.00 C ATOM 1311 O ASP A 84 10.897 5.185 -5.743 1.00 0.00 O ATOM 1312 CB ASP A 84 10.468 7.488 -3.297 1.00 0.00 C ATOM 1313 CG ASP A 84 11.919 7.072 -3.008 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.830 7.887 -3.253 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.152 5.938 -2.524 1.00 0.00 O ATOM 0 H ASP A 84 8.261 8.183 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 84 10.679 7.699 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.358 8.552 -3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.806 6.959 -2.611 1.00 0.00 H new ATOM 1320 N ALA A 85 9.056 5.022 -4.409 1.00 0.00 N ATOM 1321 CA ALA A 85 8.957 3.566 -4.392 1.00 0.00 C ATOM 1322 C ALA A 85 8.740 2.983 -5.793 1.00 0.00 C ATOM 1323 O ALA A 85 9.401 2.005 -6.157 1.00 0.00 O ATOM 1324 CB ALA A 85 7.839 3.148 -3.437 1.00 0.00 C ATOM 0 H ALA A 85 8.296 5.483 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 85 9.905 3.161 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.761 2.061 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.063 3.510 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.894 3.574 -3.774 1.00 0.00 H new ATOM 1330 N LYS A 86 7.821 3.589 -6.573 1.00 0.00 N ATOM 1331 CA LYS A 86 7.520 3.099 -7.931 1.00 0.00 C ATOM 1332 C LYS A 86 8.688 3.342 -8.895 1.00 0.00 C ATOM 1333 O LYS A 86 9.012 2.457 -9.671 1.00 0.00 O ATOM 1334 CB LYS A 86 6.213 3.694 -8.521 1.00 0.00 C ATOM 1335 CG LYS A 86 6.187 5.228 -8.673 1.00 0.00 C ATOM 1336 CD LYS A 86 5.007 5.728 -9.536 1.00 0.00 C ATOM 1337 CE LYS A 86 5.102 5.262 -11.001 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.054 5.872 -11.849 1.00 0.00 N ATOM 0 H LYS A 86 7.282 4.407 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 86 7.368 2.025 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.042 3.247 -9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.380 3.396 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.127 5.685 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.124 5.559 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.071 5.372 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.977 6.817 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.084 5.518 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.014 4.176 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.156 5.531 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.116 5.608 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.153 6.907 -11.832 1.00 0.00 H new ATOM 1352 N LEU A 87 9.332 4.533 -8.832 1.00 0.00 N ATOM 1353 CA LEU A 87 10.371 4.913 -9.818 1.00 0.00 C ATOM 1354 C LEU A 87 11.625 4.027 -9.666 1.00 0.00 C ATOM 1355 O LEU A 87 12.250 3.646 -10.665 1.00 0.00 O ATOM 1356 CB LEU A 87 10.687 6.454 -9.752 1.00 0.00 C ATOM 1357 CG LEU A 87 11.445 7.038 -8.495 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.982 6.865 -8.582 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.092 8.530 -8.268 1.00 0.00 C ATOM 0 H LEU A 87 9.153 5.239 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 87 9.983 4.729 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.276 6.705 -10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.740 6.986 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 87 11.100 6.455 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.447 7.286 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.225 5.805 -8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.357 7.383 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.629 8.902 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.379 9.109 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.019 8.629 -8.103 1.00 0.00 H new ATOM 1371 N LYS A 88 11.976 3.684 -8.404 1.00 0.00 N ATOM 1372 CA LYS A 88 13.118 2.796 -8.117 1.00 0.00 C ATOM 1373 C LYS A 88 12.770 1.335 -8.469 1.00 0.00 C ATOM 1374 O LYS A 88 13.638 0.572 -8.897 1.00 0.00 O ATOM 1375 CB LYS A 88 13.615 2.963 -6.637 1.00 0.00 C ATOM 1376 CG LYS A 88 12.692 2.462 -5.485 1.00 0.00 C ATOM 1377 CD LYS A 88 12.776 0.934 -5.227 1.00 0.00 C ATOM 1378 CE LYS A 88 12.030 0.499 -3.967 1.00 0.00 C ATOM 1379 NZ LYS A 88 12.669 1.043 -2.741 1.00 0.00 N ATOM 0 H LYS A 88 11.483 4.010 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 88 13.954 3.088 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.570 2.445 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.810 4.022 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.954 2.990 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.660 2.724 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.367 0.403 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.823 0.643 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.995 0.838 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.007 -0.589 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.372 0.482 -1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.703 0.995 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.379 2.033 -2.609 1.00 0.00 H new ATOM 1393 N ALA A 89 11.486 0.959 -8.274 1.00 0.00 N ATOM 1394 CA ALA A 89 10.987 -0.390 -8.600 1.00 0.00 C ATOM 1395 C ALA A 89 10.885 -0.582 -10.126 1.00 0.00 C ATOM 1396 O ALA A 89 10.970 -1.702 -10.631 1.00 0.00 O ATOM 1397 CB ALA A 89 9.648 -0.652 -7.893 1.00 0.00 C ATOM 0 H ALA A 89 10.774 1.579 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 89 11.700 -1.128 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.293 -1.652 -8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.785 -0.576 -6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.914 0.085 -8.218 1.00 0.00 H new ATOM 1403 N GLU A 90 10.719 0.526 -10.857 1.00 0.00 N ATOM 1404 CA GLU A 90 10.818 0.543 -12.325 1.00 0.00 C ATOM 1405 C GLU A 90 12.287 0.393 -12.769 1.00 0.00 C ATOM 1406 O GLU A 90 12.567 -0.144 -13.847 1.00 0.00 O ATOM 1407 CB GLU A 90 10.181 1.828 -12.900 1.00 0.00 C ATOM 1408 CG GLU A 90 8.655 1.868 -12.747 1.00 0.00 C ATOM 1409 CD GLU A 90 8.009 3.075 -13.424 1.00 0.00 C ATOM 1410 OE1 GLU A 90 7.817 3.040 -14.661 1.00 0.00 O ATOM 1411 OE2 GLU A 90 7.697 4.066 -12.734 1.00 0.00 O ATOM 0 H GLU A 90 10.512 1.438 -10.449 1.00 0.00 H new ATOM 0 HA GLU A 90 10.262 -0.306 -12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.612 2.695 -12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.436 1.910 -13.957 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.231 0.956 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.404 1.878 -11.686 1.00 0.00 H new ATOM 1418 N GLY A 91 13.210 0.863 -11.917 1.00 0.00 N ATOM 1419 CA GLY A 91 14.644 0.605 -12.097 1.00 0.00 C ATOM 1420 C GLY A 91 14.991 -0.886 -12.014 1.00 0.00 C ATOM 1421 O GLY A 91 16.001 -1.322 -12.576 1.00 0.00 O ATOM 0 H GLY A 91 12.987 1.425 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.961 0.994 -13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.205 1.148 -11.336 1.00 0.00 H new ATOM 1425 N LEU A 92 14.136 -1.674 -11.317 1.00 0.00 N ATOM 1426 CA LEU A 92 14.291 -3.137 -11.211 1.00 0.00 C ATOM 1427 C LEU A 92 14.040 -3.814 -12.571 1.00 0.00 C ATOM 1428 O LEU A 92 14.951 -4.432 -13.125 1.00 0.00 O ATOM 1429 CB LEU A 92 13.324 -3.735 -10.154 1.00 0.00 C ATOM 1430 CG LEU A 92 13.525 -3.266 -8.679 1.00 0.00 C ATOM 1431 CD1 LEU A 92 12.365 -3.749 -7.785 1.00 0.00 C ATOM 1432 CD2 LEU A 92 14.887 -3.735 -8.115 1.00 0.00 C ATOM 0 H LEU A 92 13.325 -1.311 -10.816 1.00 0.00 H new ATOM 0 HA LEU A 92 15.316 -3.329 -10.895 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.303 -3.495 -10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.418 -4.821 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 92 13.526 -2.176 -8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.528 -3.410 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.425 -3.341 -8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.321 -4.838 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.993 -3.391 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.936 -4.824 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.693 -3.322 -8.721 1.00 0.00 H new ATOM 1444 N GLU A 93 12.801 -3.677 -13.115 1.00 0.00 N ATOM 1445 CA GLU A 93 12.378 -4.483 -14.287 1.00 0.00 C ATOM 1446 C GLU A 93 11.248 -3.835 -15.132 1.00 0.00 C ATOM 1447 O GLU A 93 10.452 -4.552 -15.755 1.00 0.00 O ATOM 1448 CB GLU A 93 11.970 -5.914 -13.817 1.00 0.00 C ATOM 1449 CG GLU A 93 10.842 -5.946 -12.766 1.00 0.00 C ATOM 1450 CD GLU A 93 10.387 -7.370 -12.420 1.00 0.00 C ATOM 1451 OE1 GLU A 93 11.159 -8.110 -11.779 1.00 0.00 O ATOM 1452 OE2 GLU A 93 9.267 -7.767 -12.799 1.00 0.00 O ATOM 0 H GLU A 93 12.093 -3.030 -12.768 1.00 0.00 H new ATOM 0 HA GLU A 93 13.238 -4.536 -14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.656 -6.492 -14.686 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.848 -6.411 -13.404 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.184 -5.449 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.989 -5.378 -13.138 1.00 0.00 H new ATOM 1459 N HIS A 94 11.202 -2.491 -15.217 1.00 0.00 N ATOM 1460 CA HIS A 94 10.328 -1.800 -16.212 1.00 0.00 C ATOM 1461 C HIS A 94 10.951 -1.928 -17.624 1.00 0.00 C ATOM 1462 O HIS A 94 10.262 -1.759 -18.641 1.00 0.00 O ATOM 1463 CB HIS A 94 10.107 -0.312 -15.844 1.00 0.00 C ATOM 1464 CG HIS A 94 9.220 0.474 -16.790 1.00 0.00 C ATOM 1465 ND1 HIS A 94 7.854 0.322 -16.835 1.00 0.00 N ATOM 1466 CD2 HIS A 94 9.512 1.418 -17.722 1.00 0.00 C ATOM 1467 CE1 HIS A 94 7.346 1.137 -17.734 1.00 0.00 C ATOM 1468 NE2 HIS A 94 8.327 1.815 -18.289 1.00 0.00 N ATOM 0 H HIS A 94 11.746 -1.863 -14.625 1.00 0.00 H new ATOM 0 HA HIS A 94 9.350 -2.281 -16.203 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.674 -0.264 -14.845 1.00 0.00 H new ATOM 0 HB3 HIS A 94 11.079 0.179 -15.794 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.496 1.788 -17.971 1.00 0.00 H new ATOM 0 HE1 HIS A 94 6.298 1.233 -17.976 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.224 2.519 -19.020 1.00 0.00 H new ATOM 1477 N HIS A 95 12.270 -2.224 -17.657 1.00 0.00 N ATOM 1478 CA HIS A 95 13.013 -2.511 -18.889 1.00 0.00 C ATOM 1479 C HIS A 95 12.539 -3.860 -19.476 1.00 0.00 C ATOM 1480 O HIS A 95 13.155 -4.911 -19.258 1.00 0.00 O ATOM 1481 CB HIS A 95 14.540 -2.513 -18.601 1.00 0.00 C ATOM 1482 CG HIS A 95 15.413 -2.727 -19.816 1.00 0.00 C ATOM 1483 ND1 HIS A 95 15.848 -3.971 -20.221 1.00 0.00 N ATOM 1484 CD2 HIS A 95 15.949 -1.847 -20.695 1.00 0.00 C ATOM 1485 CE1 HIS A 95 16.608 -3.845 -21.286 1.00 0.00 C ATOM 1486 NE2 HIS A 95 16.686 -2.569 -21.594 1.00 0.00 N ATOM 0 H HIS A 95 12.847 -2.269 -16.817 1.00 0.00 H new ATOM 0 HA HIS A 95 12.819 -1.734 -19.628 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.810 -1.563 -18.140 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.757 -3.294 -17.873 1.00 0.00 H new ATOM 0 HD2 HIS A 95 15.819 -0.775 -20.688 1.00 0.00 H new ATOM 0 HE1 HIS A 95 17.088 -4.653 -21.818 1.00 0.00 H new ATOM 0 HE2 HIS A 95 17.211 -2.180 -22.377 1.00 0.00 H new ATOM 1495 N HIS A 96 11.396 -3.813 -20.178 1.00 0.00 N ATOM 1496 CA HIS A 96 10.784 -4.994 -20.795 1.00 0.00 C ATOM 1497 C HIS A 96 11.655 -5.474 -21.962 1.00 0.00 C ATOM 1498 O HIS A 96 12.085 -4.664 -22.788 1.00 0.00 O ATOM 1499 CB HIS A 96 9.334 -4.679 -21.253 1.00 0.00 C ATOM 1500 CG HIS A 96 9.184 -3.467 -22.157 1.00 0.00 C ATOM 1501 ND1 HIS A 96 8.813 -2.221 -21.695 1.00 0.00 N ATOM 1502 CD2 HIS A 96 9.323 -3.324 -23.500 1.00 0.00 C ATOM 1503 CE1 HIS A 96 8.724 -1.382 -22.709 1.00 0.00 C ATOM 1504 NE2 HIS A 96 9.029 -2.024 -23.812 1.00 0.00 N ATOM 0 H HIS A 96 10.871 -2.952 -20.332 1.00 0.00 H new ATOM 0 HA HIS A 96 10.724 -5.797 -20.061 1.00 0.00 H new ATOM 0 HB2 HIS A 96 8.938 -5.551 -21.774 1.00 0.00 H new ATOM 0 HB3 HIS A 96 8.716 -4.529 -20.368 1.00 0.00 H new ATOM 0 HD2 HIS A 96 9.613 -4.097 -24.197 1.00 0.00 H new ATOM 0 HE1 HIS A 96 8.446 -0.340 -22.642 1.00 0.00 H new ATOM 0 HE2 HIS A 96 9.044 -1.620 -24.749 1.00 0.00 H new ATOM 1513 N HIS A 97 11.960 -6.777 -21.992 1.00 0.00 N ATOM 1514 CA HIS A 97 12.754 -7.376 -23.071 1.00 0.00 C ATOM 1515 C HIS A 97 11.925 -7.386 -24.372 1.00 0.00 C ATOM 1516 O HIS A 97 10.982 -8.179 -24.505 1.00 0.00 O ATOM 1517 CB HIS A 97 13.226 -8.797 -22.679 1.00 0.00 C ATOM 1518 CG HIS A 97 14.027 -9.494 -23.752 1.00 0.00 C ATOM 1519 ND1 HIS A 97 13.469 -10.390 -24.633 1.00 0.00 N ATOM 1520 CD2 HIS A 97 15.340 -9.415 -24.083 1.00 0.00 C ATOM 1521 CE1 HIS A 97 14.396 -10.835 -25.454 1.00 0.00 C ATOM 1522 NE2 HIS A 97 15.540 -10.260 -25.143 1.00 0.00 N ATOM 0 H HIS A 97 11.666 -7.441 -21.275 1.00 0.00 H new ATOM 0 HA HIS A 97 13.650 -6.778 -23.239 1.00 0.00 H new ATOM 0 HB2 HIS A 97 13.830 -8.732 -21.774 1.00 0.00 H new ATOM 0 HB3 HIS A 97 12.354 -9.405 -22.438 1.00 0.00 H new ATOM 0 HD2 HIS A 97 16.087 -8.802 -23.602 1.00 0.00 H new ATOM 0 HE1 HIS A 97 14.245 -11.551 -26.249 1.00 0.00 H new ATOM 0 HE2 HIS A 97 16.430 -10.418 -25.615 1.00 0.00 H new ATOM 1531 N HIS A 98 12.273 -6.464 -25.294 1.00 0.00 N ATOM 1532 CA HIS A 98 11.506 -6.223 -26.532 1.00 0.00 C ATOM 1533 C HIS A 98 11.411 -7.499 -27.402 1.00 0.00 C ATOM 1534 O HIS A 98 12.420 -8.165 -27.650 1.00 0.00 O ATOM 1535 CB HIS A 98 12.103 -5.030 -27.332 1.00 0.00 C ATOM 1536 CG HIS A 98 13.517 -5.218 -27.844 1.00 0.00 C ATOM 1537 ND1 HIS A 98 13.798 -5.585 -29.142 1.00 0.00 N ATOM 1538 CD2 HIS A 98 14.722 -5.069 -27.235 1.00 0.00 C ATOM 1539 CE1 HIS A 98 15.102 -5.656 -29.309 1.00 0.00 C ATOM 1540 NE2 HIS A 98 15.686 -5.348 -28.169 1.00 0.00 N ATOM 0 H HIS A 98 13.094 -5.866 -25.200 1.00 0.00 H new ATOM 0 HA HIS A 98 10.489 -5.956 -26.245 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.453 -4.827 -28.183 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.082 -4.145 -26.696 1.00 0.00 H new ATOM 0 HD2 HIS A 98 14.889 -4.784 -26.207 1.00 0.00 H new ATOM 0 HE1 HIS A 98 15.607 -5.922 -30.226 1.00 0.00 H new ATOM 0 HE2 HIS A 98 16.693 -5.321 -28.007 1.00 0.00 H new ATOM 1549 N HIS A 99 10.178 -7.839 -27.822 1.00 0.00 N ATOM 1550 CA HIS A 99 9.893 -9.031 -28.644 1.00 0.00 C ATOM 1551 C HIS A 99 10.023 -8.656 -30.141 1.00 0.00 C ATOM 1552 O HIS A 99 9.071 -8.068 -30.705 1.00 0.00 O ATOM 1553 CB HIS A 99 8.469 -9.584 -28.331 1.00 0.00 C ATOM 1554 CG HIS A 99 8.241 -9.995 -26.896 1.00 0.00 C ATOM 1555 ND1 HIS A 99 8.293 -11.304 -26.470 1.00 0.00 N ATOM 1556 CD2 HIS A 99 7.929 -9.263 -25.798 1.00 0.00 C ATOM 1557 CE1 HIS A 99 8.020 -11.357 -25.179 1.00 0.00 C ATOM 1558 NE2 HIS A 99 7.799 -10.134 -24.749 1.00 0.00 N ATOM 1559 OXT HIS A 99 11.093 -8.904 -30.734 1.00 0.00 O ATOM 0 H HIS A 99 9.347 -7.292 -27.600 1.00 0.00 H new ATOM 0 HA HIS A 99 10.611 -9.816 -28.408 1.00 0.00 H new ATOM 0 HB2 HIS A 99 7.735 -8.823 -28.595 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.281 -10.445 -28.973 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.806 -8.191 -25.758 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.984 -12.253 -24.578 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.568 -9.876 -23.790 1.00 0.00 H new TER 1568 HIS A 99