USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 645 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 21 ASN : amide:sc= -0.76 K(o=-0.49,f=-2.1!) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0.272 USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0.28 USER MOD Set 2.2: A 46 THR OG1 : rot 88:sc= 0.315 USER MOD Set 3.1: A 28 CYS SG : rot 110:sc= -0.641 USER MOD Set 3.2: A 31 HIS : no HE2:sc= 0.535 K(o=1.1,f=-4.9) USER MOD Set 3.3: A 59 THR OG1 : rot 152:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.22 (180deg=0.656) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -115:sc= 0.0358 USER MOD Single : A 22 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.7!) USER MOD Single : A 23 ASN : amide:sc= -0.0532 X(o=-0.053,f=-0.012) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.05) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0.78 K(o=0.78,f=-4!) USER MOD Single : A 43 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.28) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0.596 USER MOD Single : A 52 SER OG : rot -160:sc= -1.39 USER MOD Single : A 55 THR OG1 : rot -89:sc= 1.22 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 150:sc= 0.331 (180deg=-0.237!) USER MOD Single : A 64 HIS : no HE2:sc= -0.117! C(o=-0.12!,f=-6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 0.0198 X(o=0.02,f=-0.14) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 84 HIS : no HE2:sc=0.000798 X(o=0.0008,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.706 -26.006 -0.331 1.00 0.00 N ATOM 2 CA MET A 1 50.721 -26.287 0.709 1.00 0.00 C ATOM 3 C MET A 1 52.095 -25.846 0.226 1.00 0.00 C ATOM 4 O MET A 1 52.724 -24.970 0.815 1.00 0.00 O ATOM 5 CB MET A 1 50.753 -27.784 1.054 1.00 0.00 C ATOM 6 CG MET A 1 49.466 -28.318 1.672 1.00 0.00 C ATOM 7 SD MET A 1 48.078 -28.335 0.517 1.00 0.00 S ATOM 8 CE MET A 1 46.794 -29.057 1.538 1.00 0.00 C ATOM 0 H1 MET A 1 48.822 -26.500 -0.096 1.00 0.00 H new ATOM 0 H2 MET A 1 49.529 -24.982 -0.376 1.00 0.00 H new ATOM 0 H3 MET A 1 50.053 -26.338 -1.253 1.00 0.00 H new ATOM 0 HA MET A 1 50.453 -25.729 1.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 50.967 -28.349 0.146 1.00 0.00 H new ATOM 0 HB3 MET A 1 51.576 -27.967 1.745 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.639 -29.330 2.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 49.204 -27.707 2.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.871 -29.133 0.963 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.103 -30.051 1.862 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.626 -28.427 2.411 1.00 0.00 H new ATOM 20 N ALA A 2 52.547 -26.447 -0.863 1.00 0.00 N ATOM 21 CA ALA A 2 53.838 -26.115 -1.437 1.00 0.00 C ATOM 22 C ALA A 2 53.665 -25.636 -2.871 1.00 0.00 C ATOM 23 O ALA A 2 53.251 -26.400 -3.742 1.00 0.00 O ATOM 24 CB ALA A 2 54.765 -27.320 -1.389 1.00 0.00 C ATOM 0 H ALA A 2 52.035 -27.170 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 2 54.286 -25.312 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 2 55.729 -27.055 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 2 54.906 -27.629 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.325 -28.140 -1.956 1.00 0.00 H new ATOM 30 N GLY A 3 53.969 -24.370 -3.104 1.00 0.00 N ATOM 31 CA GLY A 3 53.835 -23.807 -4.432 1.00 0.00 C ATOM 32 C GLY A 3 54.534 -22.471 -4.558 1.00 0.00 C ATOM 33 O GLY A 3 55.062 -22.134 -5.618 1.00 0.00 O ATOM 0 H GLY A 3 54.307 -23.719 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 3 54.248 -24.502 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 3 52.778 -23.686 -4.669 1.00 0.00 H new ATOM 37 N ASP A 4 54.550 -21.714 -3.470 1.00 0.00 N ATOM 38 CA ASP A 4 55.168 -20.396 -3.466 1.00 0.00 C ATOM 39 C ASP A 4 56.218 -20.307 -2.366 1.00 0.00 C ATOM 40 O ASP A 4 55.885 -20.274 -1.178 1.00 0.00 O ATOM 41 CB ASP A 4 54.103 -19.311 -3.275 1.00 0.00 C ATOM 42 CG ASP A 4 54.686 -17.913 -3.253 1.00 0.00 C ATOM 43 OD1 ASP A 4 55.031 -17.390 -4.333 1.00 0.00 O ATOM 44 OD2 ASP A 4 54.780 -17.319 -2.158 1.00 0.00 O ATOM 0 H ASP A 4 54.141 -21.991 -2.577 1.00 0.00 H new ATOM 0 HA ASP A 4 55.658 -20.238 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 4 53.371 -19.382 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 4 53.570 -19.492 -2.342 1.00 0.00 H new ATOM 49 N PRO A 5 57.503 -20.317 -2.746 1.00 0.00 N ATOM 50 CA PRO A 5 58.611 -20.223 -1.807 1.00 0.00 C ATOM 51 C PRO A 5 59.061 -18.781 -1.581 1.00 0.00 C ATOM 52 O PRO A 5 58.339 -17.836 -1.900 1.00 0.00 O ATOM 53 CB PRO A 5 59.699 -21.019 -2.520 1.00 0.00 C ATOM 54 CG PRO A 5 59.452 -20.784 -3.978 1.00 0.00 C ATOM 55 CD PRO A 5 57.986 -20.439 -4.133 1.00 0.00 C ATOM 0 HA PRO A 5 58.357 -20.591 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 5 60.693 -20.680 -2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 5 59.639 -22.079 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 5 60.079 -19.974 -4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 5 59.702 -21.672 -4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 5 57.850 -19.510 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 5 57.448 -21.215 -4.677 1.00 0.00 H new ATOM 63 N LEU A 6 60.253 -18.613 -1.031 1.00 0.00 N ATOM 64 CA LEU A 6 60.816 -17.287 -0.830 1.00 0.00 C ATOM 65 C LEU A 6 61.640 -16.875 -2.047 1.00 0.00 C ATOM 66 O LEU A 6 62.251 -17.723 -2.701 1.00 0.00 O ATOM 67 CB LEU A 6 61.686 -17.256 0.431 1.00 0.00 C ATOM 68 CG LEU A 6 60.951 -17.565 1.737 1.00 0.00 C ATOM 69 CD1 LEU A 6 61.928 -17.571 2.902 1.00 0.00 C ATOM 70 CD2 LEU A 6 59.838 -16.556 1.982 1.00 0.00 C ATOM 0 H LEU A 6 60.849 -19.378 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 6 59.996 -16.580 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 6 62.498 -17.974 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 6 62.142 -16.270 0.514 1.00 0.00 H new ATOM 0 HG LEU A 6 60.501 -18.554 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 6 61.392 -17.792 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 6 62.690 -18.332 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 6 62.403 -16.593 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 6 59.329 -16.795 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 6 60.263 -15.554 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 6 59.124 -16.595 1.159 1.00 0.00 H new ATOM 82 N PRO A 7 61.646 -15.576 -2.385 1.00 0.00 N ATOM 83 CA PRO A 7 62.431 -15.055 -3.506 1.00 0.00 C ATOM 84 C PRO A 7 63.927 -15.275 -3.308 1.00 0.00 C ATOM 85 O PRO A 7 64.507 -14.831 -2.319 1.00 0.00 O ATOM 86 CB PRO A 7 62.102 -13.558 -3.531 1.00 0.00 C ATOM 87 CG PRO A 7 61.557 -13.255 -2.176 1.00 0.00 C ATOM 88 CD PRO A 7 60.886 -14.514 -1.705 1.00 0.00 C ATOM 0 HA PRO A 7 62.186 -15.561 -4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 7 62.991 -12.963 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 7 61.374 -13.328 -4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 7 62.353 -12.959 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 7 60.848 -12.428 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 7 60.935 -14.615 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 7 59.831 -14.535 -1.980 1.00 0.00 H new ATOM 96 N LYS A 8 64.542 -15.967 -4.254 1.00 0.00 N ATOM 97 CA LYS A 8 65.965 -16.276 -4.181 1.00 0.00 C ATOM 98 C LYS A 8 66.774 -15.255 -4.969 1.00 0.00 C ATOM 99 O LYS A 8 67.946 -15.470 -5.274 1.00 0.00 O ATOM 100 CB LYS A 8 66.226 -17.681 -4.726 1.00 0.00 C ATOM 101 CG LYS A 8 65.366 -18.753 -4.075 1.00 0.00 C ATOM 102 CD LYS A 8 65.703 -20.137 -4.603 1.00 0.00 C ATOM 103 CE LYS A 8 64.721 -21.177 -4.090 1.00 0.00 C ATOM 104 NZ LYS A 8 65.107 -22.554 -4.493 1.00 0.00 N ATOM 0 H LYS A 8 64.077 -16.328 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 8 66.275 -16.235 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 8 66.045 -17.685 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 8 67.277 -17.930 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 8 65.510 -18.730 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 8 64.314 -18.538 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 8 65.689 -20.126 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 8 66.714 -20.408 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 8 64.667 -21.119 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 8 63.725 -20.954 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 64.411 -23.232 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 65.134 -22.617 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 66.047 -22.778 -4.108 1.00 0.00 H new ATOM 118 N TYR A 9 66.139 -14.141 -5.297 1.00 0.00 N ATOM 119 CA TYR A 9 66.778 -13.091 -6.069 1.00 0.00 C ATOM 120 C TYR A 9 66.585 -11.740 -5.404 1.00 0.00 C ATOM 121 O TYR A 9 65.590 -11.515 -4.714 1.00 0.00 O ATOM 122 CB TYR A 9 66.220 -13.054 -7.494 1.00 0.00 C ATOM 123 CG TYR A 9 66.806 -14.108 -8.404 1.00 0.00 C ATOM 124 CD1 TYR A 9 66.236 -15.371 -8.506 1.00 0.00 C ATOM 125 CD2 TYR A 9 67.940 -13.834 -9.161 1.00 0.00 C ATOM 126 CE1 TYR A 9 66.781 -16.334 -9.334 1.00 0.00 C ATOM 127 CE2 TYR A 9 68.487 -14.788 -9.993 1.00 0.00 C ATOM 128 CZ TYR A 9 67.907 -16.036 -10.075 1.00 0.00 C ATOM 129 OH TYR A 9 68.459 -16.990 -10.899 1.00 0.00 O ATOM 0 H TYR A 9 65.173 -13.941 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 9 67.845 -13.309 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 9 65.138 -13.182 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 9 66.409 -12.070 -7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 9 65.353 -15.604 -7.929 1.00 0.00 H new ATOM 0 HD2 TYR A 9 68.399 -12.859 -9.096 1.00 0.00 H new ATOM 0 HE1 TYR A 9 66.329 -17.313 -9.401 1.00 0.00 H new ATOM 0 HE2 TYR A 9 69.366 -14.559 -10.578 1.00 0.00 H new ATOM 0 HH TYR A 9 69.246 -16.618 -11.349 1.00 0.00 H new ATOM 139 N TRP A 10 67.546 -10.854 -5.619 1.00 0.00 N ATOM 140 CA TRP A 10 67.504 -9.510 -5.065 1.00 0.00 C ATOM 141 C TRP A 10 66.279 -8.761 -5.570 1.00 0.00 C ATOM 142 O TRP A 10 66.076 -8.623 -6.781 1.00 0.00 O ATOM 143 CB TRP A 10 68.779 -8.753 -5.442 1.00 0.00 C ATOM 144 CG TRP A 10 70.032 -9.487 -5.070 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.659 -9.477 -3.859 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.809 -10.342 -5.919 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.779 -10.270 -3.905 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.892 -10.812 -5.157 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.695 -10.753 -7.251 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.852 -11.676 -5.679 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.647 -11.611 -7.767 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.714 -12.063 -6.983 1.00 0.00 C ATOM 0 H TRP A 10 68.375 -11.046 -6.181 1.00 0.00 H new ATOM 0 HA TRP A 10 67.439 -9.581 -3.979 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.780 -8.567 -6.516 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.775 -7.780 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 10 70.324 -8.927 -2.992 1.00 0.00 H new ATOM 0 HE1 TRP A 10 72.423 -10.430 -3.131 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.877 -10.406 -7.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.676 -12.027 -5.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.566 -11.938 -8.793 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.443 -12.731 -7.417 1.00 0.00 H new ATOM 163 N SER A 11 65.468 -8.288 -4.640 1.00 0.00 N ATOM 164 CA SER A 11 64.225 -7.621 -4.980 1.00 0.00 C ATOM 165 C SER A 11 64.411 -6.104 -5.030 1.00 0.00 C ATOM 166 O SER A 11 63.611 -5.389 -5.634 1.00 0.00 O ATOM 167 CB SER A 11 63.152 -7.999 -3.959 1.00 0.00 C ATOM 168 OG SER A 11 63.064 -9.411 -3.820 1.00 0.00 O ATOM 0 H SER A 11 65.650 -8.354 -3.639 1.00 0.00 H new ATOM 0 HA SER A 11 63.910 -7.946 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 11 63.386 -7.548 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 11 62.188 -7.599 -4.273 1.00 0.00 H new ATOM 0 HG SER A 11 62.373 -9.632 -3.161 1.00 0.00 H new ATOM 174 N TYR A 12 65.473 -5.616 -4.399 1.00 0.00 N ATOM 175 CA TYR A 12 65.774 -4.189 -4.412 1.00 0.00 C ATOM 176 C TYR A 12 66.721 -3.853 -5.561 1.00 0.00 C ATOM 177 O TYR A 12 67.830 -4.386 -5.637 1.00 0.00 O ATOM 178 CB TYR A 12 66.395 -3.744 -3.085 1.00 0.00 C ATOM 179 CG TYR A 12 65.487 -3.891 -1.881 1.00 0.00 C ATOM 180 CD1 TYR A 12 64.211 -3.344 -1.868 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.916 -4.576 -0.754 1.00 0.00 C ATOM 182 CE1 TYR A 12 63.391 -3.475 -0.763 1.00 0.00 C ATOM 183 CE2 TYR A 12 65.104 -4.710 0.354 1.00 0.00 C ATOM 184 CZ TYR A 12 63.843 -4.160 0.347 1.00 0.00 C ATOM 185 OH TYR A 12 63.030 -4.296 1.451 1.00 0.00 O ATOM 0 H TYR A 12 66.138 -6.185 -3.874 1.00 0.00 H new ATOM 0 HA TYR A 12 64.835 -3.653 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 12 67.302 -4.323 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 12 66.695 -2.700 -3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 12 63.854 -2.808 -2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 12 66.904 -5.013 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 12 62.401 -3.043 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 12 65.457 -5.245 1.223 1.00 0.00 H new ATOM 0 HH TYR A 12 63.424 -3.816 2.209 1.00 0.00 H new ATOM 195 N PRO A 13 66.293 -2.969 -6.477 1.00 0.00 N ATOM 196 CA PRO A 13 67.103 -2.551 -7.624 1.00 0.00 C ATOM 197 C PRO A 13 68.262 -1.640 -7.218 1.00 0.00 C ATOM 198 O PRO A 13 68.296 -1.112 -6.102 1.00 0.00 O ATOM 199 CB PRO A 13 66.113 -1.789 -8.523 1.00 0.00 C ATOM 200 CG PRO A 13 64.762 -2.026 -7.932 1.00 0.00 C ATOM 201 CD PRO A 13 64.985 -2.309 -6.476 1.00 0.00 C ATOM 0 HA PRO A 13 67.568 -3.405 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.347 -0.725 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 13 66.159 -2.151 -9.550 1.00 0.00 H new ATOM 0 HG2 PRO A 13 64.121 -1.155 -8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.266 -2.865 -8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 13 64.992 -1.395 -5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.207 -2.951 -6.064 1.00 0.00 H new ATOM 209 N VAL A 14 69.208 -1.465 -8.132 1.00 0.00 N ATOM 210 CA VAL A 14 70.374 -0.628 -7.881 1.00 0.00 C ATOM 211 C VAL A 14 70.007 0.841 -8.039 1.00 0.00 C ATOM 212 O VAL A 14 69.583 1.274 -9.114 1.00 0.00 O ATOM 213 CB VAL A 14 71.533 -0.976 -8.842 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.731 -0.068 -8.605 1.00 0.00 C ATOM 215 CG2 VAL A 14 71.928 -2.435 -8.687 1.00 0.00 C ATOM 0 H VAL A 14 69.190 -1.894 -9.057 1.00 0.00 H new ATOM 0 HA VAL A 14 70.705 -0.816 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 14 71.188 -0.815 -9.863 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.532 -0.335 -9.295 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.440 0.969 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 14 73.081 -0.187 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.745 -2.665 -9.370 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.250 -2.618 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.073 -3.070 -8.918 1.00 0.00 H new ATOM 225 N GLY A 15 70.165 1.599 -6.970 1.00 0.00 N ATOM 226 CA GLY A 15 69.813 2.999 -6.996 1.00 0.00 C ATOM 227 C GLY A 15 68.688 3.321 -6.040 1.00 0.00 C ATOM 228 O GLY A 15 68.344 4.483 -5.848 1.00 0.00 O ATOM 0 H GLY A 15 70.533 1.267 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.688 3.597 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.520 3.280 -8.008 1.00 0.00 H new ATOM 232 N LEU A 16 68.117 2.293 -5.432 1.00 0.00 N ATOM 233 CA LEU A 16 67.035 2.490 -4.483 1.00 0.00 C ATOM 234 C LEU A 16 67.586 2.954 -3.140 1.00 0.00 C ATOM 235 O LEU A 16 68.491 2.329 -2.578 1.00 0.00 O ATOM 236 CB LEU A 16 66.227 1.201 -4.311 1.00 0.00 C ATOM 237 CG LEU A 16 65.015 1.314 -3.382 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.015 2.326 -3.920 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.356 -0.044 -3.207 1.00 0.00 C ATOM 0 H LEU A 16 68.383 1.319 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 16 66.372 3.262 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 16 65.884 0.872 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 16 66.888 0.424 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 16 65.360 1.662 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.162 2.390 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.492 3.303 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.673 2.011 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.496 0.052 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.027 -0.416 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.072 -0.743 -2.774 1.00 0.00 H new ATOM 251 N ALA A 17 67.058 4.064 -2.648 1.00 0.00 N ATOM 252 CA ALA A 17 67.470 4.600 -1.362 1.00 0.00 C ATOM 253 C ALA A 17 66.737 3.894 -0.229 1.00 0.00 C ATOM 254 O ALA A 17 65.504 3.914 -0.156 1.00 0.00 O ATOM 255 CB ALA A 17 67.228 6.101 -1.305 1.00 0.00 C ATOM 0 H ALA A 17 66.341 4.612 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 17 68.539 4.422 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.543 6.484 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.801 6.592 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.167 6.304 -1.448 1.00 0.00 H new ATOM 261 N VAL A 18 67.502 3.268 0.650 1.00 0.00 N ATOM 262 CA VAL A 18 66.943 2.529 1.768 1.00 0.00 C ATOM 263 C VAL A 18 67.639 2.929 3.063 1.00 0.00 C ATOM 264 O VAL A 18 68.842 3.195 3.079 1.00 0.00 O ATOM 265 CB VAL A 18 67.066 0.997 1.571 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.292 0.544 0.341 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.527 0.573 1.469 1.00 0.00 C ATOM 0 H VAL A 18 68.521 3.258 0.609 1.00 0.00 H new ATOM 0 HA VAL A 18 65.883 2.779 1.822 1.00 0.00 H new ATOM 0 HB VAL A 18 66.632 0.513 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.394 -0.535 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.239 0.798 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.689 1.044 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.584 -0.507 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.992 1.072 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 18 69.051 0.850 2.384 1.00 0.00 H new ATOM 277 N GLU A 19 66.881 2.998 4.138 1.00 0.00 N ATOM 278 CA GLU A 19 67.437 3.347 5.432 1.00 0.00 C ATOM 279 C GLU A 19 67.618 2.111 6.299 1.00 0.00 C ATOM 280 O GLU A 19 67.026 1.056 6.042 1.00 0.00 O ATOM 281 CB GLU A 19 66.540 4.355 6.147 1.00 0.00 C ATOM 282 CG GLU A 19 65.135 3.849 6.404 1.00 0.00 C ATOM 283 CD GLU A 19 64.323 4.827 7.216 1.00 0.00 C ATOM 284 OE1 GLU A 19 63.934 5.876 6.666 1.00 0.00 O ATOM 285 OE2 GLU A 19 64.094 4.567 8.414 1.00 0.00 O ATOM 0 H GLU A 19 65.877 2.817 4.143 1.00 0.00 H new ATOM 0 HA GLU A 19 68.415 3.799 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.999 4.625 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.485 5.265 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.636 3.665 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 19 65.183 2.895 6.928 1.00 0.00 H new ATOM 292 N ILE A 20 68.436 2.256 7.323 1.00 0.00 N ATOM 293 CA ILE A 20 68.680 1.187 8.271 1.00 0.00 C ATOM 294 C ILE A 20 67.761 1.357 9.475 1.00 0.00 C ATOM 295 O ILE A 20 67.938 2.278 10.280 1.00 0.00 O ATOM 296 CB ILE A 20 70.155 1.151 8.749 1.00 0.00 C ATOM 297 CG1 ILE A 20 71.117 0.855 7.587 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.333 0.112 9.850 1.00 0.00 C ATOM 299 CD1 ILE A 20 71.398 2.042 6.687 1.00 0.00 C ATOM 0 H ILE A 20 68.949 3.115 7.521 1.00 0.00 H new ATOM 0 HA ILE A 20 68.475 0.244 7.764 1.00 0.00 H new ATOM 0 HB ILE A 20 70.397 2.137 9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 20 72.061 0.494 7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.701 0.048 6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.374 0.100 10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.693 0.364 10.695 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.060 -0.872 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 20 72.085 1.744 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.465 2.392 6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.846 2.845 7.273 1.00 0.00 H new ATOM 311 N ASN A 21 66.765 0.488 9.574 1.00 0.00 N ATOM 312 CA ASN A 21 65.813 0.540 10.678 1.00 0.00 C ATOM 313 C ASN A 21 66.481 0.109 11.982 1.00 0.00 C ATOM 314 O ASN A 21 67.582 -0.447 11.975 1.00 0.00 O ATOM 315 CB ASN A 21 64.584 -0.330 10.394 1.00 0.00 C ATOM 316 CG ASN A 21 64.944 -1.751 10.012 1.00 0.00 C ATOM 317 OD1 ASN A 21 65.157 -2.602 10.872 1.00 0.00 O ATOM 318 ND2 ASN A 21 64.978 -2.020 8.715 1.00 0.00 N ATOM 0 H ASN A 21 66.594 -0.262 8.904 1.00 0.00 H new ATOM 0 HA ASN A 21 65.477 1.572 10.781 1.00 0.00 H new ATOM 0 HB2 ASN A 21 63.945 -0.347 11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 21 64.004 0.121 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 21 65.188 -2.966 8.396 1.00 0.00 H new ATOM 0 HD22 ASN A 21 64.795 -1.281 8.036 1.00 0.00 H new ATOM 325 N ASN A 22 65.803 0.344 13.097 1.00 0.00 N ATOM 326 CA ASN A 22 66.397 0.145 14.420 1.00 0.00 C ATOM 327 C ASN A 22 66.412 -1.324 14.837 1.00 0.00 C ATOM 328 O ASN A 22 66.348 -1.645 16.025 1.00 0.00 O ATOM 329 CB ASN A 22 65.666 0.987 15.475 1.00 0.00 C ATOM 330 CG ASN A 22 65.937 2.480 15.334 1.00 0.00 C ATOM 331 OD1 ASN A 22 66.139 2.993 14.232 1.00 0.00 O ATOM 332 ND2 ASN A 22 65.963 3.188 16.452 1.00 0.00 N ATOM 0 H ASN A 22 64.838 0.674 13.116 1.00 0.00 H new ATOM 0 HA ASN A 22 67.434 0.475 14.353 1.00 0.00 H new ATOM 0 HB2 ASN A 22 64.594 0.808 15.396 1.00 0.00 H new ATOM 0 HB3 ASN A 22 65.971 0.660 16.469 1.00 0.00 H new ATOM 0 HD21 ASN A 22 66.155 4.189 16.417 1.00 0.00 H new ATOM 0 HD22 ASN A 22 65.791 2.732 17.348 1.00 0.00 H new ATOM 339 N ASN A 23 66.536 -2.210 13.864 1.00 0.00 N ATOM 340 CA ASN A 23 66.697 -3.632 14.142 1.00 0.00 C ATOM 341 C ASN A 23 68.158 -4.030 13.978 1.00 0.00 C ATOM 342 O ASN A 23 68.624 -4.989 14.587 1.00 0.00 O ATOM 343 CB ASN A 23 65.819 -4.486 13.217 1.00 0.00 C ATOM 344 CG ASN A 23 66.005 -5.980 13.455 1.00 0.00 C ATOM 345 OD1 ASN A 23 65.349 -6.566 14.315 1.00 0.00 O ATOM 346 ND2 ASN A 23 66.895 -6.605 12.694 1.00 0.00 N ATOM 0 H ASN A 23 66.529 -1.972 12.872 1.00 0.00 H new ATOM 0 HA ASN A 23 66.381 -3.812 15.170 1.00 0.00 H new ATOM 0 HB2 ASN A 23 64.772 -4.224 13.371 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.057 -4.254 12.179 1.00 0.00 H new ATOM 0 HD21 ASN A 23 67.054 -7.606 12.812 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.420 -6.085 11.991 1.00 0.00 H new ATOM 353 N ALA A 24 68.885 -3.258 13.176 1.00 0.00 N ATOM 354 CA ALA A 24 70.283 -3.552 12.876 1.00 0.00 C ATOM 355 C ALA A 24 71.212 -2.992 13.952 1.00 0.00 C ATOM 356 O ALA A 24 72.405 -2.787 13.715 1.00 0.00 O ATOM 357 CB ALA A 24 70.649 -2.993 11.508 1.00 0.00 C ATOM 0 H ALA A 24 68.527 -2.419 12.720 1.00 0.00 H new ATOM 0 HA ALA A 24 70.410 -4.635 12.863 1.00 0.00 H new ATOM 0 HB1 ALA A 24 71.694 -3.216 11.291 1.00 0.00 H new ATOM 0 HB2 ALA A 24 70.015 -3.449 10.747 1.00 0.00 H new ATOM 0 HB3 ALA A 24 70.501 -1.913 11.505 1.00 0.00 H new ATOM 363 N ARG A 25 70.659 -2.766 15.143 1.00 0.00 N ATOM 364 CA ARG A 25 71.433 -2.273 16.278 1.00 0.00 C ATOM 365 C ARG A 25 72.578 -3.226 16.602 1.00 0.00 C ATOM 366 O ARG A 25 73.702 -2.798 16.871 1.00 0.00 O ATOM 367 CB ARG A 25 70.535 -2.094 17.502 1.00 0.00 C ATOM 368 CG ARG A 25 69.604 -0.894 17.407 1.00 0.00 C ATOM 369 CD ARG A 25 68.656 -0.831 18.593 1.00 0.00 C ATOM 370 NE ARG A 25 67.608 -1.849 18.508 1.00 0.00 N ATOM 371 CZ ARG A 25 67.528 -2.914 19.308 1.00 0.00 C ATOM 372 NH1 ARG A 25 68.475 -3.144 20.217 1.00 0.00 N ATOM 373 NH2 ARG A 25 66.502 -3.752 19.193 1.00 0.00 N ATOM 0 H ARG A 25 69.671 -2.918 15.346 1.00 0.00 H new ATOM 0 HA ARG A 25 71.853 -1.304 16.008 1.00 0.00 H new ATOM 0 HB2 ARG A 25 69.938 -2.996 17.639 1.00 0.00 H new ATOM 0 HB3 ARG A 25 71.161 -1.988 18.388 1.00 0.00 H new ATOM 0 HG2 ARG A 25 70.193 0.022 17.361 1.00 0.00 H new ATOM 0 HG3 ARG A 25 69.029 -0.950 16.483 1.00 0.00 H new ATOM 0 HD2 ARG A 25 69.220 -0.966 19.516 1.00 0.00 H new ATOM 0 HD3 ARG A 25 68.199 0.157 18.641 1.00 0.00 H new ATOM 0 HE ARG A 25 66.892 -1.737 17.790 1.00 0.00 H new ATOM 0 HH11 ARG A 25 69.265 -2.505 20.303 1.00 0.00 H new ATOM 0 HH12 ARG A 25 68.410 -3.959 20.826 1.00 0.00 H new ATOM 0 HH21 ARG A 25 65.779 -3.580 18.495 1.00 0.00 H new ATOM 0 HH22 ARG A 25 66.438 -4.567 19.803 1.00 0.00 H new ATOM 387 N TYR A 26 72.288 -4.520 16.586 1.00 0.00 N ATOM 388 CA TYR A 26 73.324 -5.528 16.715 1.00 0.00 C ATOM 389 C TYR A 26 73.771 -5.968 15.328 1.00 0.00 C ATOM 390 O TYR A 26 73.047 -6.672 14.623 1.00 0.00 O ATOM 391 CB TYR A 26 72.820 -6.724 17.522 1.00 0.00 C ATOM 392 CG TYR A 26 73.864 -7.799 17.729 1.00 0.00 C ATOM 393 CD1 TYR A 26 74.946 -7.585 18.573 1.00 0.00 C ATOM 394 CD2 TYR A 26 73.774 -9.024 17.076 1.00 0.00 C ATOM 395 CE1 TYR A 26 75.905 -8.558 18.765 1.00 0.00 C ATOM 396 CE2 TYR A 26 74.731 -10.003 17.265 1.00 0.00 C ATOM 397 CZ TYR A 26 75.794 -9.764 18.109 1.00 0.00 C ATOM 398 OH TYR A 26 76.752 -10.735 18.300 1.00 0.00 O ATOM 0 H TYR A 26 71.344 -4.893 16.485 1.00 0.00 H new ATOM 0 HA TYR A 26 74.173 -5.101 17.249 1.00 0.00 H new ATOM 0 HB2 TYR A 26 72.472 -6.375 18.494 1.00 0.00 H new ATOM 0 HB3 TYR A 26 71.960 -7.158 17.013 1.00 0.00 H new ATOM 0 HD1 TYR A 26 75.038 -6.640 19.088 1.00 0.00 H new ATOM 0 HD2 TYR A 26 72.944 -9.213 16.411 1.00 0.00 H new ATOM 0 HE1 TYR A 26 76.739 -8.375 19.427 1.00 0.00 H new ATOM 0 HE2 TYR A 26 74.646 -10.951 16.754 1.00 0.00 H new ATOM 0 HH TYR A 26 76.527 -11.526 17.767 1.00 0.00 H new ATOM 408 N GLY A 27 74.949 -5.523 14.934 1.00 0.00 N ATOM 409 CA GLY A 27 75.449 -5.819 13.608 1.00 0.00 C ATOM 410 C GLY A 27 76.222 -4.653 13.040 1.00 0.00 C ATOM 411 O GLY A 27 77.291 -4.831 12.451 1.00 0.00 O ATOM 0 H GLY A 27 75.573 -4.959 15.510 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.091 -6.699 13.647 1.00 0.00 H new ATOM 0 HA3 GLY A 27 74.616 -6.061 12.949 1.00 0.00 H new ATOM 415 N CYS A 28 75.686 -3.456 13.229 1.00 0.00 N ATOM 416 CA CYS A 28 76.360 -2.238 12.812 1.00 0.00 C ATOM 417 C CYS A 28 75.950 -1.081 13.720 1.00 0.00 C ATOM 418 O CYS A 28 74.987 -0.364 13.439 1.00 0.00 O ATOM 419 CB CYS A 28 76.039 -1.915 11.348 1.00 0.00 C ATOM 420 SG CYS A 28 77.063 -0.608 10.635 1.00 0.00 S ATOM 0 H CYS A 28 74.780 -3.303 13.672 1.00 0.00 H new ATOM 0 HA CYS A 28 77.437 -2.387 12.896 1.00 0.00 H new ATOM 0 HB2 CYS A 28 76.159 -2.820 10.753 1.00 0.00 H new ATOM 0 HB3 CYS A 28 74.992 -1.622 11.274 1.00 0.00 H new ATOM 0 HG CYS A 28 77.874 -1.122 9.759 1.00 0.00 H new ATOM 426 N PRO A 29 76.659 -0.906 14.845 1.00 0.00 N ATOM 427 CA PRO A 29 76.354 0.147 15.811 1.00 0.00 C ATOM 428 C PRO A 29 76.780 1.524 15.313 1.00 0.00 C ATOM 429 O PRO A 29 77.681 1.643 14.477 1.00 0.00 O ATOM 430 CB PRO A 29 77.169 -0.258 17.041 1.00 0.00 C ATOM 431 CG PRO A 29 78.322 -1.025 16.492 1.00 0.00 C ATOM 432 CD PRO A 29 77.813 -1.724 15.261 1.00 0.00 C ATOM 0 HA PRO A 29 75.285 0.233 16.004 1.00 0.00 H new ATOM 0 HB2 PRO A 29 77.504 0.616 17.600 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.578 -0.867 17.725 1.00 0.00 H new ATOM 0 HG2 PRO A 29 79.151 -0.360 16.248 1.00 0.00 H new ATOM 0 HG3 PRO A 29 78.694 -1.744 17.222 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.574 -1.768 14.482 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.519 -2.751 15.477 1.00 0.00 H new ATOM 440 N HIS A 30 76.105 2.555 15.821 1.00 0.00 N ATOM 441 CA HIS A 30 76.405 3.946 15.485 1.00 0.00 C ATOM 442 C HIS A 30 76.132 4.200 14.008 1.00 0.00 C ATOM 443 O HIS A 30 76.685 5.108 13.395 1.00 0.00 O ATOM 444 CB HIS A 30 77.860 4.279 15.845 1.00 0.00 C ATOM 445 CG HIS A 30 78.127 5.740 16.068 1.00 0.00 C ATOM 446 ND1 HIS A 30 78.210 6.295 17.324 1.00 0.00 N ATOM 447 CD2 HIS A 30 78.361 6.751 15.197 1.00 0.00 C ATOM 448 CE1 HIS A 30 78.486 7.580 17.219 1.00 0.00 C ATOM 449 NE2 HIS A 30 78.583 7.886 15.939 1.00 0.00 N ATOM 0 H HIS A 30 75.333 2.448 16.479 1.00 0.00 H new ATOM 0 HA HIS A 30 75.756 4.600 16.067 1.00 0.00 H new ATOM 0 HB2 HIS A 30 78.133 3.731 16.747 1.00 0.00 H new ATOM 0 HB3 HIS A 30 78.510 3.922 15.046 1.00 0.00 H new ATOM 0 HD2 HIS A 30 78.371 6.678 14.119 1.00 0.00 H new ATOM 0 HE1 HIS A 30 78.612 8.267 18.043 1.00 0.00 H new ATOM 0 HE2 HIS A 30 78.789 8.812 15.563 1.00 0.00 H new ATOM 458 N HIS A 31 75.247 3.393 13.458 1.00 0.00 N ATOM 459 CA HIS A 31 74.893 3.476 12.050 1.00 0.00 C ATOM 460 C HIS A 31 73.412 3.155 11.877 1.00 0.00 C ATOM 461 O HIS A 31 72.928 2.916 10.771 1.00 0.00 O ATOM 462 CB HIS A 31 75.771 2.514 11.242 1.00 0.00 C ATOM 463 CG HIS A 31 75.722 2.717 9.757 1.00 0.00 C ATOM 464 ND1 HIS A 31 76.073 3.898 9.148 1.00 0.00 N ATOM 465 CD2 HIS A 31 75.386 1.870 8.761 1.00 0.00 C ATOM 466 CE1 HIS A 31 75.957 3.769 7.843 1.00 0.00 C ATOM 467 NE2 HIS A 31 75.544 2.545 7.573 1.00 0.00 N ATOM 0 H HIS A 31 74.753 2.662 13.970 1.00 0.00 H new ATOM 0 HA HIS A 31 75.068 4.486 11.680 1.00 0.00 H new ATOM 0 HB2 HIS A 31 76.803 2.619 11.575 1.00 0.00 H new ATOM 0 HB3 HIS A 31 75.467 1.491 11.465 1.00 0.00 H new ATOM 0 HD1 HIS A 31 76.376 4.743 9.632 1.00 0.00 H new ATOM 0 HD2 HIS A 31 75.054 0.849 8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 31 76.165 4.538 7.114 1.00 0.00 H new ATOM 476 N VAL A 32 72.695 3.181 12.991 1.00 0.00 N ATOM 477 CA VAL A 32 71.271 2.899 12.995 1.00 0.00 C ATOM 478 C VAL A 32 70.485 4.186 12.769 1.00 0.00 C ATOM 479 O VAL A 32 70.799 5.224 13.355 1.00 0.00 O ATOM 480 CB VAL A 32 70.838 2.253 14.329 1.00 0.00 C ATOM 481 CG1 VAL A 32 69.379 1.837 14.280 1.00 0.00 C ATOM 482 CG2 VAL A 32 71.730 1.066 14.665 1.00 0.00 C ATOM 0 H VAL A 32 73.082 3.397 13.910 1.00 0.00 H new ATOM 0 HA VAL A 32 71.061 2.197 12.188 1.00 0.00 H new ATOM 0 HB VAL A 32 70.949 2.996 15.119 1.00 0.00 H new ATOM 0 HG11 VAL A 32 69.098 1.385 15.231 1.00 0.00 H new ATOM 0 HG12 VAL A 32 68.757 2.713 14.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 69.234 1.114 13.477 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.408 0.625 15.608 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.658 0.321 13.873 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.763 1.401 14.755 1.00 0.00 H new ATOM 492 N GLY A 33 69.474 4.123 11.912 1.00 0.00 N ATOM 493 CA GLY A 33 68.708 5.310 11.583 1.00 0.00 C ATOM 494 C GLY A 33 69.333 6.078 10.440 1.00 0.00 C ATOM 495 O GLY A 33 68.936 7.202 10.140 1.00 0.00 O ATOM 0 H GLY A 33 69.171 3.272 11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.690 5.025 11.317 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.639 5.954 12.460 1.00 0.00 H new ATOM 499 N ARG A 34 70.323 5.466 9.812 1.00 0.00 N ATOM 500 CA ARG A 34 71.004 6.074 8.681 1.00 0.00 C ATOM 501 C ARG A 34 70.248 5.775 7.398 1.00 0.00 C ATOM 502 O ARG A 34 69.464 4.828 7.349 1.00 0.00 O ATOM 503 CB ARG A 34 72.440 5.555 8.590 1.00 0.00 C ATOM 504 CG ARG A 34 73.321 5.986 9.750 1.00 0.00 C ATOM 505 CD ARG A 34 73.277 7.492 9.955 1.00 0.00 C ATOM 506 NE ARG A 34 73.549 8.219 8.720 1.00 0.00 N ATOM 507 CZ ARG A 34 73.074 9.428 8.446 1.00 0.00 C ATOM 508 NH1 ARG A 34 72.321 10.070 9.331 1.00 0.00 N ATOM 509 NH2 ARG A 34 73.349 9.991 7.280 1.00 0.00 N ATOM 0 H ARG A 34 70.675 4.543 10.068 1.00 0.00 H new ATOM 0 HA ARG A 34 71.035 7.154 8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.421 4.466 8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.885 5.905 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 34 72.995 5.484 10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.348 5.673 9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 34 72.296 7.778 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.008 7.777 10.712 1.00 0.00 H new ATOM 0 HE ARG A 34 74.142 7.770 8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 34 72.104 9.635 10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 34 71.959 10.999 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 34 73.923 9.496 6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 34 72.987 10.920 7.064 1.00 0.00 H new ATOM 523 N LYS A 35 70.480 6.575 6.364 1.00 0.00 N ATOM 524 CA LYS A 35 69.758 6.421 5.111 1.00 0.00 C ATOM 525 C LYS A 35 70.736 6.374 3.945 1.00 0.00 C ATOM 526 O LYS A 35 71.437 7.351 3.668 1.00 0.00 O ATOM 527 CB LYS A 35 68.757 7.567 4.916 1.00 0.00 C ATOM 528 CG LYS A 35 67.796 7.752 6.083 1.00 0.00 C ATOM 529 CD LYS A 35 66.684 8.730 5.739 1.00 0.00 C ATOM 530 CE LYS A 35 65.849 9.096 6.956 1.00 0.00 C ATOM 531 NZ LYS A 35 65.298 7.903 7.649 1.00 0.00 N ATOM 0 H LYS A 35 71.161 7.334 6.370 1.00 0.00 H new ATOM 0 HA LYS A 35 69.203 5.483 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.308 8.495 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.181 7.383 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 35 67.364 6.789 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 35 68.344 8.114 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 67.116 9.634 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 35 66.040 8.293 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 35 66.461 9.667 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 35 65.029 9.744 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 64.617 8.206 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 64.818 7.291 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 66.072 7.375 8.100 1.00 0.00 H new ATOM 545 N GLY A 36 70.775 5.243 3.263 1.00 0.00 N ATOM 546 CA GLY A 36 71.735 5.055 2.202 1.00 0.00 C ATOM 547 C GLY A 36 71.087 4.643 0.902 1.00 0.00 C ATOM 548 O GLY A 36 69.871 4.718 0.747 1.00 0.00 O ATOM 0 H GLY A 36 70.156 4.449 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.290 5.981 2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.458 4.296 2.501 1.00 0.00 H new ATOM 552 N LYS A 37 71.904 4.204 -0.035 1.00 0.00 N ATOM 553 CA LYS A 37 71.417 3.781 -1.331 1.00 0.00 C ATOM 554 C LYS A 37 72.097 2.483 -1.752 1.00 0.00 C ATOM 555 O LYS A 37 73.312 2.335 -1.611 1.00 0.00 O ATOM 556 CB LYS A 37 71.662 4.894 -2.356 1.00 0.00 C ATOM 557 CG LYS A 37 71.069 4.625 -3.730 1.00 0.00 C ATOM 558 CD LYS A 37 71.075 5.882 -4.591 1.00 0.00 C ATOM 559 CE LYS A 37 70.213 6.973 -3.977 1.00 0.00 C ATOM 560 NZ LYS A 37 70.201 8.215 -4.795 1.00 0.00 N ATOM 0 H LYS A 37 72.915 4.131 0.079 1.00 0.00 H new ATOM 0 HA LYS A 37 70.345 3.591 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.246 5.825 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.736 5.045 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 37 71.638 3.839 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.048 4.260 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 37 72.097 6.243 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 37 70.708 5.644 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 69.193 6.606 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 37 70.581 7.203 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 69.600 8.928 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 71.170 8.583 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 69.825 8.004 -5.741 1.00 0.00 H new ATOM 574 N ILE A 38 71.305 1.537 -2.241 1.00 0.00 N ATOM 575 CA ILE A 38 71.828 0.247 -2.672 1.00 0.00 C ATOM 576 C ILE A 38 72.506 0.378 -4.026 1.00 0.00 C ATOM 577 O ILE A 38 71.870 0.756 -5.009 1.00 0.00 O ATOM 578 CB ILE A 38 70.711 -0.811 -2.762 1.00 0.00 C ATOM 579 CG1 ILE A 38 70.044 -0.977 -1.399 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.270 -2.143 -3.252 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.866 -1.924 -1.408 1.00 0.00 C ATOM 0 H ILE A 38 70.296 1.639 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 38 72.555 -0.078 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 38 69.964 -0.474 -3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.784 -1.339 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.711 -0.001 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.466 -2.876 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.711 -2.011 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 38 72.033 -2.495 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.445 -1.990 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 38 68.107 -1.554 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 38 69.196 -2.912 -1.729 1.00 0.00 H new ATOM 593 N ILE A 39 73.792 0.067 -4.076 1.00 0.00 N ATOM 594 CA ILE A 39 74.561 0.237 -5.304 1.00 0.00 C ATOM 595 C ILE A 39 75.060 -1.095 -5.859 1.00 0.00 C ATOM 596 O ILE A 39 75.434 -1.189 -7.031 1.00 0.00 O ATOM 597 CB ILE A 39 75.766 1.176 -5.091 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.611 0.708 -3.900 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.292 2.610 -4.881 1.00 0.00 C ATOM 600 CD1 ILE A 39 77.944 1.415 -3.785 1.00 0.00 C ATOM 0 H ILE A 39 74.324 -0.302 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 39 73.879 0.683 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 39 76.389 1.146 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.046 0.865 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.785 -0.364 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.154 3.260 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 39 74.735 2.941 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.648 2.655 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.486 1.032 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.529 1.237 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.779 2.486 -3.665 1.00 0.00 H new ATOM 612 N GLU A 40 75.062 -2.124 -5.026 1.00 0.00 N ATOM 613 CA GLU A 40 75.555 -3.431 -5.442 1.00 0.00 C ATOM 614 C GLU A 40 74.713 -4.549 -4.850 1.00 0.00 C ATOM 615 O GLU A 40 74.080 -4.380 -3.802 1.00 0.00 O ATOM 616 CB GLU A 40 77.020 -3.629 -5.035 1.00 0.00 C ATOM 617 CG GLU A 40 77.989 -2.686 -5.727 1.00 0.00 C ATOM 618 CD GLU A 40 79.433 -3.104 -5.546 1.00 0.00 C ATOM 619 OE1 GLU A 40 80.010 -2.829 -4.476 1.00 0.00 O ATOM 620 OE2 GLU A 40 79.999 -3.712 -6.481 1.00 0.00 O ATOM 0 H GLU A 40 74.730 -2.082 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 40 75.482 -3.468 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.108 -3.496 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.311 -4.656 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.756 -2.647 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.854 -1.678 -5.334 1.00 0.00 H new ATOM 627 N HIS A 41 74.703 -5.687 -5.530 1.00 0.00 N ATOM 628 CA HIS A 41 74.018 -6.871 -5.038 1.00 0.00 C ATOM 629 C HIS A 41 75.033 -7.917 -4.608 1.00 0.00 C ATOM 630 O HIS A 41 75.917 -8.291 -5.378 1.00 0.00 O ATOM 631 CB HIS A 41 73.099 -7.458 -6.113 1.00 0.00 C ATOM 632 CG HIS A 41 71.938 -6.581 -6.475 1.00 0.00 C ATOM 633 ND1 HIS A 41 71.435 -6.484 -7.753 1.00 0.00 N ATOM 634 CD2 HIS A 41 71.161 -5.777 -5.711 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.401 -5.665 -7.760 1.00 0.00 C ATOM 636 NE2 HIS A 41 70.211 -5.222 -6.532 1.00 0.00 N ATOM 0 H HIS A 41 75.165 -5.814 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 41 73.409 -6.580 -4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.686 -7.653 -7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.720 -8.419 -5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 41 71.269 -5.604 -4.650 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.810 -5.402 -8.625 1.00 0.00 H new ATOM 0 HE2 HIS A 41 69.479 -4.574 -6.241 1.00 0.00 H new ATOM 645 N LEU A 42 74.901 -8.390 -3.384 1.00 0.00 N ATOM 646 CA LEU A 42 75.844 -9.344 -2.829 1.00 0.00 C ATOM 647 C LEU A 42 75.266 -10.747 -2.862 1.00 0.00 C ATOM 648 O LEU A 42 74.104 -10.956 -2.511 1.00 0.00 O ATOM 649 CB LEU A 42 76.183 -8.972 -1.388 1.00 0.00 C ATOM 650 CG LEU A 42 76.821 -7.597 -1.195 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.988 -7.303 0.283 1.00 0.00 C ATOM 652 CD2 LEU A 42 78.163 -7.520 -1.903 1.00 0.00 C ATOM 0 H LEU A 42 74.145 -8.128 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 42 76.750 -9.318 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 42 75.269 -9.015 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.859 -9.726 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 42 76.162 -6.847 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.444 -6.321 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.012 -7.316 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.628 -8.061 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.598 -6.532 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.833 -8.278 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 42 78.022 -7.695 -2.970 1.00 0.00 H new ATOM 664 N HIS A 43 76.066 -11.706 -3.289 1.00 0.00 N ATOM 665 CA HIS A 43 75.641 -13.096 -3.247 1.00 0.00 C ATOM 666 C HIS A 43 76.076 -13.728 -1.930 1.00 0.00 C ATOM 667 O HIS A 43 77.142 -14.332 -1.824 1.00 0.00 O ATOM 668 CB HIS A 43 76.140 -13.901 -4.466 1.00 0.00 C ATOM 669 CG HIS A 43 77.623 -13.854 -4.721 1.00 0.00 C ATOM 670 ND1 HIS A 43 78.223 -12.893 -5.510 1.00 0.00 N ATOM 671 CD2 HIS A 43 78.622 -14.676 -4.315 1.00 0.00 C ATOM 672 CE1 HIS A 43 79.522 -13.130 -5.579 1.00 0.00 C ATOM 673 NE2 HIS A 43 79.788 -14.203 -4.862 1.00 0.00 N ATOM 0 H HIS A 43 77.002 -11.554 -3.665 1.00 0.00 H new ATOM 0 HA HIS A 43 74.553 -13.120 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 43 75.846 -14.942 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 43 75.626 -13.534 -5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 43 78.519 -15.543 -3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.243 -12.544 -6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 43 80.712 -14.616 -4.734 1.00 0.00 H new ATOM 682 N SER A 44 75.258 -13.533 -0.911 1.00 0.00 N ATOM 683 CA SER A 44 75.555 -14.029 0.419 1.00 0.00 C ATOM 684 C SER A 44 74.261 -14.327 1.162 1.00 0.00 C ATOM 685 O SER A 44 73.198 -13.829 0.796 1.00 0.00 O ATOM 686 CB SER A 44 76.394 -12.995 1.187 1.00 0.00 C ATOM 687 OG SER A 44 76.570 -13.366 2.544 1.00 0.00 O ATOM 0 H SER A 44 74.374 -13.029 -0.982 1.00 0.00 H new ATOM 0 HA SER A 44 76.129 -14.952 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.368 -12.890 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 44 75.907 -12.021 1.136 1.00 0.00 H new ATOM 0 HG SER A 44 77.109 -12.687 3.001 1.00 0.00 H new ATOM 693 N ALA A 45 74.353 -15.155 2.192 1.00 0.00 N ATOM 694 CA ALA A 45 73.194 -15.488 3.004 1.00 0.00 C ATOM 695 C ALA A 45 73.102 -14.566 4.213 1.00 0.00 C ATOM 696 O ALA A 45 72.125 -14.601 4.963 1.00 0.00 O ATOM 697 CB ALA A 45 73.255 -16.943 3.448 1.00 0.00 C ATOM 0 H ALA A 45 75.219 -15.608 2.485 1.00 0.00 H new ATOM 0 HA ALA A 45 72.299 -15.348 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 45 72.380 -17.175 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 45 73.271 -17.591 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 45 74.158 -17.106 4.036 1.00 0.00 H new ATOM 703 N THR A 46 74.128 -13.747 4.407 1.00 0.00 N ATOM 704 CA THR A 46 74.155 -12.817 5.526 1.00 0.00 C ATOM 705 C THR A 46 73.984 -11.373 5.058 1.00 0.00 C ATOM 706 O THR A 46 73.418 -10.549 5.772 1.00 0.00 O ATOM 707 CB THR A 46 75.460 -12.951 6.335 1.00 0.00 C ATOM 708 OG1 THR A 46 76.580 -13.055 5.443 1.00 0.00 O ATOM 709 CG2 THR A 46 75.407 -14.164 7.257 1.00 0.00 C ATOM 0 H THR A 46 74.950 -13.709 3.805 1.00 0.00 H new ATOM 0 HA THR A 46 73.315 -13.074 6.171 1.00 0.00 H new ATOM 0 HB THR A 46 75.576 -12.060 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 46 76.905 -12.158 5.221 1.00 0.00 H new ATOM 0 HG21 THR A 46 76.339 -14.237 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 46 74.574 -14.057 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 46 75.270 -15.067 6.662 1.00 0.00 H new ATOM 717 N TYR A 47 74.475 -11.072 3.861 1.00 0.00 N ATOM 718 CA TYR A 47 74.350 -9.732 3.299 1.00 0.00 C ATOM 719 C TYR A 47 73.879 -9.827 1.855 1.00 0.00 C ATOM 720 O TYR A 47 74.556 -10.428 1.022 1.00 0.00 O ATOM 721 CB TYR A 47 75.690 -8.989 3.339 1.00 0.00 C ATOM 722 CG TYR A 47 76.414 -9.076 4.665 1.00 0.00 C ATOM 723 CD1 TYR A 47 75.946 -8.404 5.790 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.576 -9.828 4.788 1.00 0.00 C ATOM 725 CE1 TYR A 47 76.615 -8.483 6.997 1.00 0.00 C ATOM 726 CE2 TYR A 47 78.249 -9.910 5.991 1.00 0.00 C ATOM 727 CZ TYR A 47 77.765 -9.236 7.090 1.00 0.00 C ATOM 728 OH TYR A 47 78.437 -9.317 8.289 1.00 0.00 O ATOM 0 H TYR A 47 74.963 -11.737 3.261 1.00 0.00 H new ATOM 0 HA TYR A 47 73.626 -9.179 3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.337 -9.390 2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 47 75.517 -7.939 3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 47 75.046 -7.811 5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 47 77.959 -10.357 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 47 76.238 -7.958 7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 47 79.150 -10.500 6.070 1.00 0.00 H new ATOM 0 HH TYR A 47 79.226 -9.888 8.184 1.00 0.00 H new ATOM 738 N ASP A 48 72.728 -9.242 1.553 1.00 0.00 N ATOM 739 CA ASP A 48 72.199 -9.309 0.196 1.00 0.00 C ATOM 740 C ASP A 48 72.561 -8.051 -0.584 1.00 0.00 C ATOM 741 O ASP A 48 72.665 -8.078 -1.811 1.00 0.00 O ATOM 742 CB ASP A 48 70.673 -9.459 0.180 1.00 0.00 C ATOM 743 CG ASP A 48 70.132 -10.333 1.288 1.00 0.00 C ATOM 744 OD1 ASP A 48 70.374 -11.554 1.285 1.00 0.00 O ATOM 745 OD2 ASP A 48 69.443 -9.795 2.176 1.00 0.00 O ATOM 0 H ASP A 48 72.151 -8.724 2.215 1.00 0.00 H new ATOM 0 HA ASP A 48 72.647 -10.188 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.220 -8.471 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.369 -9.876 -0.780 1.00 0.00 H new ATOM 750 N TYR A 49 72.745 -6.939 0.120 1.00 0.00 N ATOM 751 CA TYR A 49 72.913 -5.653 -0.551 1.00 0.00 C ATOM 752 C TYR A 49 74.064 -4.845 0.035 1.00 0.00 C ATOM 753 O TYR A 49 74.419 -4.995 1.206 1.00 0.00 O ATOM 754 CB TYR A 49 71.627 -4.830 -0.446 1.00 0.00 C ATOM 755 CG TYR A 49 70.400 -5.535 -0.972 1.00 0.00 C ATOM 756 CD1 TYR A 49 70.087 -5.513 -2.324 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.552 -6.218 -0.112 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.961 -6.152 -2.806 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.428 -6.861 -0.586 1.00 0.00 C ATOM 760 CZ TYR A 49 68.134 -6.825 -1.931 1.00 0.00 C ATOM 761 OH TYR A 49 67.006 -7.461 -2.402 1.00 0.00 O ATOM 0 H TYR A 49 72.781 -6.900 1.139 1.00 0.00 H new ATOM 0 HA TYR A 49 73.142 -5.867 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.462 -4.566 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.760 -3.897 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.734 -4.988 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.776 -6.246 0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.730 -6.125 -3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.780 -7.392 0.096 1.00 0.00 H new ATOM 0 HH TYR A 49 66.535 -7.887 -1.656 1.00 0.00 H new ATOM 771 N ALA A 50 74.637 -3.983 -0.797 1.00 0.00 N ATOM 772 CA ALA A 50 75.642 -3.034 -0.353 1.00 0.00 C ATOM 773 C ALA A 50 75.035 -1.639 -0.339 1.00 0.00 C ATOM 774 O ALA A 50 74.696 -1.090 -1.391 1.00 0.00 O ATOM 775 CB ALA A 50 76.861 -3.083 -1.262 1.00 0.00 C ATOM 0 H ALA A 50 74.418 -3.925 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 50 75.969 -3.294 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.604 -2.365 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.289 -4.085 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.565 -2.834 -2.281 1.00 0.00 H new ATOM 781 N VAL A 51 74.879 -1.082 0.850 1.00 0.00 N ATOM 782 CA VAL A 51 74.186 0.187 1.013 1.00 0.00 C ATOM 783 C VAL A 51 75.155 1.289 1.414 1.00 0.00 C ATOM 784 O VAL A 51 75.789 1.215 2.463 1.00 0.00 O ATOM 785 CB VAL A 51 73.070 0.077 2.076 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.318 1.391 2.216 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.118 -1.056 1.732 1.00 0.00 C ATOM 0 H VAL A 51 75.224 -1.489 1.719 1.00 0.00 H new ATOM 0 HA VAL A 51 73.738 0.438 0.051 1.00 0.00 H new ATOM 0 HB VAL A 51 73.536 -0.145 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.538 1.285 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.011 2.176 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 51 71.865 1.654 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.338 -1.119 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.663 -0.867 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.668 -1.996 1.698 1.00 0.00 H new ATOM 797 N SER A 52 75.272 2.302 0.576 1.00 0.00 N ATOM 798 CA SER A 52 76.128 3.432 0.877 1.00 0.00 C ATOM 799 C SER A 52 75.303 4.574 1.446 1.00 0.00 C ATOM 800 O SER A 52 74.437 5.117 0.763 1.00 0.00 O ATOM 801 CB SER A 52 76.860 3.879 -0.386 1.00 0.00 C ATOM 802 OG SER A 52 77.524 2.780 -0.981 1.00 0.00 O ATOM 0 H SER A 52 74.785 2.365 -0.318 1.00 0.00 H new ATOM 0 HA SER A 52 76.866 3.134 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 52 76.151 4.311 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.581 4.659 -0.141 1.00 0.00 H new ATOM 0 HG SER A 52 78.228 3.108 -1.579 1.00 0.00 H new ATOM 808 N ASP A 53 75.554 4.913 2.705 1.00 0.00 N ATOM 809 CA ASP A 53 74.848 6.008 3.366 1.00 0.00 C ATOM 810 C ASP A 53 75.174 7.329 2.681 1.00 0.00 C ATOM 811 O ASP A 53 76.174 7.430 1.965 1.00 0.00 O ATOM 812 CB ASP A 53 75.235 6.073 4.850 1.00 0.00 C ATOM 813 CG ASP A 53 74.494 7.159 5.616 1.00 0.00 C ATOM 814 OD1 ASP A 53 73.388 6.894 6.107 1.00 0.00 O ATOM 815 OD2 ASP A 53 75.024 8.284 5.734 1.00 0.00 O ATOM 0 H ASP A 53 76.244 4.444 3.292 1.00 0.00 H new ATOM 0 HA ASP A 53 73.776 5.827 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.033 5.108 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 53 76.308 6.247 4.932 1.00 0.00 H new ATOM 820 N GLU A 54 74.336 8.335 2.898 1.00 0.00 N ATOM 821 CA GLU A 54 74.548 9.654 2.318 1.00 0.00 C ATOM 822 C GLU A 54 75.902 10.238 2.743 1.00 0.00 C ATOM 823 O GLU A 54 76.476 11.069 2.040 1.00 0.00 O ATOM 824 CB GLU A 54 73.414 10.597 2.719 1.00 0.00 C ATOM 825 CG GLU A 54 73.258 10.758 4.219 1.00 0.00 C ATOM 826 CD GLU A 54 72.201 11.771 4.585 1.00 0.00 C ATOM 827 OE1 GLU A 54 71.123 11.768 3.955 1.00 0.00 O ATOM 828 OE2 GLU A 54 72.446 12.588 5.497 1.00 0.00 O ATOM 0 H GLU A 54 73.498 8.261 3.475 1.00 0.00 H new ATOM 0 HA GLU A 54 74.554 9.548 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.592 11.576 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.478 10.224 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 54 73.001 9.795 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 54 74.212 11.062 4.650 1.00 0.00 H new ATOM 835 N THR A 55 76.411 9.785 3.885 1.00 0.00 N ATOM 836 CA THR A 55 77.716 10.215 4.376 1.00 0.00 C ATOM 837 C THR A 55 78.851 9.585 3.568 1.00 0.00 C ATOM 838 O THR A 55 79.998 10.034 3.626 1.00 0.00 O ATOM 839 CB THR A 55 77.891 9.855 5.863 1.00 0.00 C ATOM 840 OG1 THR A 55 77.586 8.469 6.065 1.00 0.00 O ATOM 841 CG2 THR A 55 76.990 10.712 6.740 1.00 0.00 C ATOM 0 H THR A 55 75.936 9.116 4.491 1.00 0.00 H new ATOM 0 HA THR A 55 77.760 11.298 4.260 1.00 0.00 H new ATOM 0 HB THR A 55 78.927 10.047 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 55 76.630 8.369 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.133 10.438 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 55 77.242 11.764 6.603 1.00 0.00 H new ATOM 0 HG23 THR A 55 75.949 10.549 6.461 1.00 0.00 H new ATOM 849 N GLY A 56 78.524 8.547 2.808 1.00 0.00 N ATOM 850 CA GLY A 56 79.519 7.869 2.002 1.00 0.00 C ATOM 851 C GLY A 56 79.929 6.543 2.605 1.00 0.00 C ATOM 852 O GLY A 56 80.769 5.837 2.051 1.00 0.00 O ATOM 0 H GLY A 56 77.582 8.162 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.123 7.705 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.397 8.507 1.897 1.00 0.00 H new ATOM 856 N ASP A 57 79.330 6.209 3.740 1.00 0.00 N ATOM 857 CA ASP A 57 79.653 4.975 4.448 1.00 0.00 C ATOM 858 C ASP A 57 79.016 3.778 3.760 1.00 0.00 C ATOM 859 O ASP A 57 77.791 3.650 3.729 1.00 0.00 O ATOM 860 CB ASP A 57 79.171 5.046 5.900 1.00 0.00 C ATOM 861 CG ASP A 57 79.724 3.920 6.755 1.00 0.00 C ATOM 862 OD1 ASP A 57 79.114 2.830 6.800 1.00 0.00 O ATOM 863 OD2 ASP A 57 80.772 4.128 7.397 1.00 0.00 O ATOM 0 H ASP A 57 78.614 6.777 4.193 1.00 0.00 H new ATOM 0 HA ASP A 57 80.736 4.856 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 57 79.467 6.003 6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 57 78.082 5.011 5.919 1.00 0.00 H new ATOM 868 N ILE A 58 79.844 2.912 3.196 1.00 0.00 N ATOM 869 CA ILE A 58 79.351 1.712 2.537 1.00 0.00 C ATOM 870 C ILE A 58 79.215 0.580 3.545 1.00 0.00 C ATOM 871 O ILE A 58 80.198 0.151 4.150 1.00 0.00 O ATOM 872 CB ILE A 58 80.277 1.260 1.384 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.448 2.392 0.366 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.720 0.009 0.708 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.358 2.043 -0.794 1.00 0.00 C ATOM 0 H ILE A 58 80.858 3.017 3.181 1.00 0.00 H new ATOM 0 HA ILE A 58 78.377 1.955 2.113 1.00 0.00 H new ATOM 0 HB ILE A 58 81.255 1.017 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.468 2.668 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 80.846 3.269 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.385 -0.294 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.646 -0.797 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.731 0.224 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.428 2.895 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.350 1.797 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.951 1.186 -1.331 1.00 0.00 H new ATOM 887 N THR A 59 77.994 0.116 3.743 1.00 0.00 N ATOM 888 CA THR A 59 77.738 -0.979 4.653 1.00 0.00 C ATOM 889 C THR A 59 77.046 -2.121 3.916 1.00 0.00 C ATOM 890 O THR A 59 76.572 -1.945 2.797 1.00 0.00 O ATOM 891 CB THR A 59 76.850 -0.521 5.821 1.00 0.00 C ATOM 892 OG1 THR A 59 77.076 0.870 6.094 1.00 0.00 O ATOM 893 CG2 THR A 59 77.147 -1.337 7.066 1.00 0.00 C ATOM 0 H THR A 59 77.162 0.485 3.282 1.00 0.00 H new ATOM 0 HA THR A 59 78.695 -1.322 5.047 1.00 0.00 H new ATOM 0 HB THR A 59 75.807 -0.671 5.540 1.00 0.00 H new ATOM 0 HG1 THR A 59 76.264 1.265 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.509 -0.999 7.883 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.952 -2.391 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.193 -1.208 7.345 1.00 0.00 H new ATOM 901 N TYR A 60 76.992 -3.288 4.539 1.00 0.00 N ATOM 902 CA TYR A 60 76.355 -4.445 3.932 1.00 0.00 C ATOM 903 C TYR A 60 75.240 -4.948 4.839 1.00 0.00 C ATOM 904 O TYR A 60 75.446 -5.120 6.039 1.00 0.00 O ATOM 905 CB TYR A 60 77.387 -5.551 3.692 1.00 0.00 C ATOM 906 CG TYR A 60 78.638 -5.070 2.987 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.601 -4.662 1.660 1.00 0.00 C ATOM 908 CD2 TYR A 60 79.854 -5.014 3.655 1.00 0.00 C ATOM 909 CE1 TYR A 60 79.740 -4.214 1.017 1.00 0.00 C ATOM 910 CE2 TYR A 60 80.998 -4.566 3.021 1.00 0.00 C ATOM 911 CZ TYR A 60 80.936 -4.168 1.703 1.00 0.00 C ATOM 912 OH TYR A 60 82.076 -3.727 1.066 1.00 0.00 O ATOM 0 H TYR A 60 77.382 -3.458 5.466 1.00 0.00 H new ATOM 0 HA TYR A 60 75.929 -4.157 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.666 -5.990 4.650 1.00 0.00 H new ATOM 0 HB3 TYR A 60 76.928 -6.343 3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 60 77.666 -4.695 1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.907 -5.326 4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 60 79.694 -3.902 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 60 81.935 -4.528 3.556 1.00 0.00 H new ATOM 0 HH TYR A 60 82.831 -3.755 1.690 1.00 0.00 H new ATOM 922 N PHE A 61 74.058 -5.164 4.272 1.00 0.00 N ATOM 923 CA PHE A 61 72.896 -5.561 5.063 1.00 0.00 C ATOM 924 C PHE A 61 72.023 -6.558 4.311 1.00 0.00 C ATOM 925 O PHE A 61 72.321 -6.935 3.176 1.00 0.00 O ATOM 926 CB PHE A 61 72.048 -4.341 5.437 1.00 0.00 C ATOM 927 CG PHE A 61 72.659 -3.453 6.483 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.651 -3.831 7.816 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.229 -2.236 6.138 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.201 -3.015 8.787 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.775 -1.417 7.105 1.00 0.00 C ATOM 932 CZ PHE A 61 73.763 -1.806 8.430 1.00 0.00 C ATOM 0 H PHE A 61 73.878 -5.072 3.272 1.00 0.00 H new ATOM 0 HA PHE A 61 73.275 -6.035 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.867 -3.751 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.077 -4.685 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.210 -4.775 8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.245 -1.927 5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.191 -3.323 9.822 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.213 -0.470 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.193 -1.165 9.186 1.00 0.00 H new ATOM 942 N LYS A 62 70.940 -6.966 4.958 1.00 0.00 N ATOM 943 CA LYS A 62 69.970 -7.864 4.355 1.00 0.00 C ATOM 944 C LYS A 62 68.715 -7.104 3.957 1.00 0.00 C ATOM 945 O LYS A 62 68.442 -6.026 4.484 1.00 0.00 O ATOM 946 CB LYS A 62 69.584 -8.997 5.310 1.00 0.00 C ATOM 947 CG LYS A 62 70.359 -10.281 5.080 1.00 0.00 C ATOM 948 CD LYS A 62 69.623 -11.478 5.657 1.00 0.00 C ATOM 949 CE LYS A 62 69.349 -12.525 4.586 1.00 0.00 C ATOM 950 NZ LYS A 62 68.600 -11.965 3.426 1.00 0.00 N ATOM 0 H LYS A 62 70.711 -6.684 5.911 1.00 0.00 H new ATOM 0 HA LYS A 62 70.437 -8.295 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 62 69.744 -8.666 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 62 68.519 -9.202 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 62 70.516 -10.428 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 62 71.345 -10.201 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.215 -11.920 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 62 68.682 -11.151 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 62 70.294 -12.942 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 62 68.779 -13.346 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 68.859 -12.483 2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 67.578 -12.061 3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 68.839 -10.959 3.311 1.00 0.00 H new ATOM 964 N GLU A 63 67.955 -7.682 3.038 1.00 0.00 N ATOM 965 CA GLU A 63 66.716 -7.075 2.556 1.00 0.00 C ATOM 966 C GLU A 63 65.713 -6.810 3.681 1.00 0.00 C ATOM 967 O GLU A 63 64.994 -5.810 3.655 1.00 0.00 O ATOM 968 CB GLU A 63 66.080 -7.939 1.451 1.00 0.00 C ATOM 969 CG GLU A 63 66.347 -9.439 1.570 1.00 0.00 C ATOM 970 CD GLU A 63 65.703 -10.067 2.786 1.00 0.00 C ATOM 971 OE1 GLU A 63 64.478 -10.279 2.765 1.00 0.00 O ATOM 972 OE2 GLU A 63 66.418 -10.348 3.774 1.00 0.00 O ATOM 0 H GLU A 63 68.175 -8.579 2.606 1.00 0.00 H new ATOM 0 HA GLU A 63 66.982 -6.105 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.002 -7.775 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.449 -7.595 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.979 -9.939 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 63 67.423 -9.607 1.610 1.00 0.00 H new ATOM 979 N HIS A 64 65.675 -7.694 4.670 1.00 0.00 N ATOM 980 CA HIS A 64 64.769 -7.538 5.807 1.00 0.00 C ATOM 981 C HIS A 64 65.174 -6.362 6.688 1.00 0.00 C ATOM 982 O HIS A 64 64.326 -5.714 7.307 1.00 0.00 O ATOM 983 CB HIS A 64 64.723 -8.824 6.639 1.00 0.00 C ATOM 984 CG HIS A 64 63.573 -9.724 6.300 1.00 0.00 C ATOM 985 ND1 HIS A 64 63.495 -10.447 5.134 1.00 0.00 N ATOM 986 CD2 HIS A 64 62.442 -10.005 6.986 1.00 0.00 C ATOM 987 CE1 HIS A 64 62.369 -11.131 5.115 1.00 0.00 C ATOM 988 NE2 HIS A 64 61.706 -10.882 6.229 1.00 0.00 N ATOM 0 H HIS A 64 66.261 -8.528 4.710 1.00 0.00 H new ATOM 0 HA HIS A 64 63.775 -7.335 5.408 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.655 -9.371 6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 64 64.667 -8.560 7.695 1.00 0.00 H new ATOM 0 HD1 HIS A 64 64.200 -10.453 4.397 1.00 0.00 H new ATOM 0 HD2 HIS A 64 62.168 -9.611 7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 64 62.043 -11.786 4.321 1.00 0.00 H new ATOM 997 N GLU A 65 66.464 -6.064 6.725 1.00 0.00 N ATOM 998 CA GLU A 65 66.973 -5.017 7.598 1.00 0.00 C ATOM 999 C GLU A 65 67.131 -3.700 6.843 1.00 0.00 C ATOM 1000 O GLU A 65 67.697 -2.741 7.362 1.00 0.00 O ATOM 1001 CB GLU A 65 68.303 -5.449 8.221 1.00 0.00 C ATOM 1002 CG GLU A 65 68.173 -6.688 9.095 1.00 0.00 C ATOM 1003 CD GLU A 65 69.459 -7.058 9.806 1.00 0.00 C ATOM 1004 OE1 GLU A 65 69.759 -6.443 10.850 1.00 0.00 O ATOM 1005 OE2 GLU A 65 70.157 -7.986 9.339 1.00 0.00 O ATOM 0 H GLU A 65 67.176 -6.531 6.163 1.00 0.00 H new ATOM 0 HA GLU A 65 66.250 -4.856 8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.024 -5.645 7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 65 68.702 -4.629 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 65 67.391 -6.521 9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 65 67.853 -7.527 8.478 1.00 0.00 H new ATOM 1012 N LEU A 66 66.601 -3.655 5.627 1.00 0.00 N ATOM 1013 CA LEU A 66 66.649 -2.448 4.813 1.00 0.00 C ATOM 1014 C LEU A 66 65.242 -1.965 4.489 1.00 0.00 C ATOM 1015 O LEU A 66 64.421 -2.717 3.961 1.00 0.00 O ATOM 1016 CB LEU A 66 67.426 -2.704 3.523 1.00 0.00 C ATOM 1017 CG LEU A 66 68.912 -3.007 3.716 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.561 -3.338 2.384 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.615 -1.828 4.375 1.00 0.00 C ATOM 0 H LEU A 66 66.132 -4.444 5.182 1.00 0.00 H new ATOM 0 HA LEU A 66 67.161 -1.672 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.965 -3.541 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 66 67.329 -1.831 2.878 1.00 0.00 H new ATOM 0 HG LEU A 66 69.007 -3.873 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.619 -3.551 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.074 -4.211 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.457 -2.490 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.672 -2.061 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.513 -0.945 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.164 -1.633 5.348 1.00 0.00 H new ATOM 1031 N THR A 67 64.966 -0.712 4.809 1.00 0.00 N ATOM 1032 CA THR A 67 63.649 -0.145 4.586 1.00 0.00 C ATOM 1033 C THR A 67 63.708 0.971 3.545 1.00 0.00 C ATOM 1034 O THR A 67 64.350 1.994 3.763 1.00 0.00 O ATOM 1035 CB THR A 67 63.068 0.407 5.901 1.00 0.00 C ATOM 1036 OG1 THR A 67 63.140 -0.608 6.916 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.620 0.852 5.722 1.00 0.00 C ATOM 0 H THR A 67 65.639 -0.068 5.225 1.00 0.00 H new ATOM 0 HA THR A 67 63.002 -0.940 4.215 1.00 0.00 H new ATOM 0 HB THR A 67 63.655 1.276 6.199 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.772 -0.259 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 67 61.238 1.237 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.571 1.635 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 67 61.015 0.003 5.405 1.00 0.00 H new ATOM 1045 N PRO A 68 63.059 0.772 2.389 1.00 0.00 N ATOM 1046 CA PRO A 68 63.022 1.774 1.322 1.00 0.00 C ATOM 1047 C PRO A 68 62.299 3.042 1.755 1.00 0.00 C ATOM 1048 O PRO A 68 61.287 2.979 2.454 1.00 0.00 O ATOM 1049 CB PRO A 68 62.248 1.084 0.191 1.00 0.00 C ATOM 1050 CG PRO A 68 62.252 -0.367 0.533 1.00 0.00 C ATOM 1051 CD PRO A 68 62.308 -0.439 2.030 1.00 0.00 C ATOM 0 HA PRO A 68 64.024 2.090 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.230 1.468 0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.723 1.261 -0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 68 61.358 -0.860 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.109 -0.871 0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.312 -0.442 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.812 -1.343 2.372 1.00 0.00 H new ATOM 1059 N LEU A 69 62.825 4.186 1.337 1.00 0.00 N ATOM 1060 CA LEU A 69 62.225 5.469 1.676 1.00 0.00 C ATOM 1061 C LEU A 69 60.823 5.582 1.085 1.00 0.00 C ATOM 1062 O LEU A 69 60.619 5.359 -0.112 1.00 0.00 O ATOM 1063 CB LEU A 69 63.112 6.617 1.192 1.00 0.00 C ATOM 1064 CG LEU A 69 64.502 6.664 1.833 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.310 7.823 1.280 1.00 0.00 C ATOM 1066 CD2 LEU A 69 64.387 6.773 3.346 1.00 0.00 C ATOM 0 H LEU A 69 63.666 4.251 0.763 1.00 0.00 H new ATOM 0 HA LEU A 69 62.140 5.534 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.228 6.538 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.603 7.560 1.390 1.00 0.00 H new ATOM 0 HG LEU A 69 65.021 5.737 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.294 7.837 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.424 7.706 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.794 8.760 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.384 6.805 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.847 7.683 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 69 63.848 5.908 3.733 1.00 0.00 H new ATOM 1078 N LYS A 70 59.865 5.928 1.934 1.00 0.00 N ATOM 1079 CA LYS A 70 58.454 5.917 1.566 1.00 0.00 C ATOM 1080 C LYS A 70 58.109 7.045 0.605 1.00 0.00 C ATOM 1081 O LYS A 70 57.419 6.834 -0.392 1.00 0.00 O ATOM 1082 CB LYS A 70 57.599 6.013 2.830 1.00 0.00 C ATOM 1083 CG LYS A 70 56.099 5.927 2.590 1.00 0.00 C ATOM 1084 CD LYS A 70 55.335 5.909 3.906 1.00 0.00 C ATOM 1085 CE LYS A 70 55.771 4.739 4.778 1.00 0.00 C ATOM 1086 NZ LYS A 70 55.064 4.710 6.085 1.00 0.00 N ATOM 0 H LYS A 70 60.042 6.223 2.894 1.00 0.00 H new ATOM 0 HA LYS A 70 58.244 4.980 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 57.891 5.214 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 70 57.820 6.955 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 70 55.774 6.776 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 70 55.870 5.027 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 70 55.501 6.845 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 70 54.265 5.840 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 70 55.585 3.805 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 70 56.846 4.799 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 55.396 3.896 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 55.261 5.588 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 54.040 4.625 5.924 1.00 0.00 H new ATOM 1100 N GLY A 71 58.598 8.228 0.904 1.00 0.00 N ATOM 1101 CA GLY A 71 58.270 9.392 0.103 1.00 0.00 C ATOM 1102 C GLY A 71 56.940 9.997 0.511 1.00 0.00 C ATOM 1103 O GLY A 71 56.894 10.873 1.378 1.00 0.00 O ATOM 0 H GLY A 71 59.221 8.412 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 71 59.057 10.139 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 71 58.234 9.111 -0.950 1.00 0.00 H new ATOM 1107 N GLY A 72 55.860 9.517 -0.101 1.00 0.00 N ATOM 1108 CA GLY A 72 54.528 9.996 0.230 1.00 0.00 C ATOM 1109 C GLY A 72 54.332 11.467 -0.089 1.00 0.00 C ATOM 1110 O GLY A 72 53.775 12.215 0.716 1.00 0.00 O ATOM 0 H GLY A 72 55.885 8.799 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 72 53.790 9.409 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 72 54.342 9.832 1.291 1.00 0.00 H new ATOM 1114 N LEU A 73 54.789 11.885 -1.263 1.00 0.00 N ATOM 1115 CA LEU A 73 54.681 13.282 -1.670 1.00 0.00 C ATOM 1116 C LEU A 73 53.465 13.491 -2.566 1.00 0.00 C ATOM 1117 O LEU A 73 52.859 14.565 -2.575 1.00 0.00 O ATOM 1118 CB LEU A 73 55.952 13.757 -2.392 1.00 0.00 C ATOM 1119 CG LEU A 73 56.313 13.012 -3.684 1.00 0.00 C ATOM 1120 CD1 LEU A 73 57.140 13.905 -4.594 1.00 0.00 C ATOM 1121 CD2 LEU A 73 57.081 11.736 -3.376 1.00 0.00 C ATOM 0 H LEU A 73 55.237 11.278 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 73 54.561 13.877 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 73 55.838 14.815 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.791 13.672 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 73 55.386 12.745 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 73 57.389 13.364 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 73 56.567 14.797 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.058 14.195 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.326 11.225 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 73 58.000 11.984 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 73 56.468 11.083 -2.754 1.00 0.00 H new ATOM 1133 N ALA A 74 53.091 12.451 -3.297 1.00 0.00 N ATOM 1134 CA ALA A 74 51.959 12.526 -4.216 1.00 0.00 C ATOM 1135 C ALA A 74 50.645 12.259 -3.487 1.00 0.00 C ATOM 1136 O ALA A 74 49.748 11.604 -4.017 1.00 0.00 O ATOM 1137 CB ALA A 74 52.149 11.536 -5.352 1.00 0.00 C ATOM 0 H ALA A 74 53.554 11.543 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 74 51.914 13.534 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 74 51.301 11.597 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 74 53.066 11.773 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 74 52.217 10.526 -4.947 1.00 0.00 H new ATOM 1143 N TYR A 75 50.528 12.793 -2.279 1.00 0.00 N ATOM 1144 CA TYR A 75 49.354 12.562 -1.451 1.00 0.00 C ATOM 1145 C TYR A 75 48.669 13.890 -1.120 1.00 0.00 C ATOM 1146 O TYR A 75 47.807 13.965 -0.243 1.00 0.00 O ATOM 1147 CB TYR A 75 49.772 11.825 -0.170 1.00 0.00 C ATOM 1148 CG TYR A 75 48.621 11.265 0.636 1.00 0.00 C ATOM 1149 CD1 TYR A 75 47.808 10.269 0.115 1.00 0.00 C ATOM 1150 CD2 TYR A 75 48.356 11.724 1.921 1.00 0.00 C ATOM 1151 CE1 TYR A 75 46.761 9.748 0.849 1.00 0.00 C ATOM 1152 CE2 TYR A 75 47.308 11.209 2.660 1.00 0.00 C ATOM 1153 CZ TYR A 75 46.514 10.223 2.119 1.00 0.00 C ATOM 1154 OH TYR A 75 45.469 9.704 2.850 1.00 0.00 O ATOM 0 H TYR A 75 51.235 13.391 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 75 48.640 11.944 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 75 50.442 11.008 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 75 50.340 12.510 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 75 47.997 9.895 -0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 75 48.979 12.495 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 75 46.138 8.972 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 75 47.113 11.578 3.656 1.00 0.00 H new ATOM 0 HH TYR A 75 45.431 10.145 3.724 1.00 0.00 H new ATOM 1164 N VAL A 76 49.043 14.939 -1.844 1.00 0.00 N ATOM 1165 CA VAL A 76 48.493 16.267 -1.595 1.00 0.00 C ATOM 1166 C VAL A 76 47.210 16.491 -2.403 1.00 0.00 C ATOM 1167 O VAL A 76 47.185 17.298 -3.333 1.00 0.00 O ATOM 1168 CB VAL A 76 49.517 17.384 -1.915 1.00 0.00 C ATOM 1169 CG1 VAL A 76 49.022 18.734 -1.417 1.00 0.00 C ATOM 1170 CG2 VAL A 76 50.874 17.065 -1.306 1.00 0.00 C ATOM 0 H VAL A 76 49.721 14.897 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 76 48.257 16.317 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 76 49.626 17.435 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 76 49.759 19.502 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 76 48.077 18.976 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 76 48.876 18.692 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 76 51.577 17.864 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 76 50.776 16.979 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 76 51.243 16.124 -1.713 1.00 0.00 H new ATOM 1180 N LEU A 77 46.172 15.726 -2.051 1.00 0.00 N ATOM 1181 CA LEU A 77 44.814 15.884 -2.594 1.00 0.00 C ATOM 1182 C LEU A 77 44.783 16.059 -4.114 1.00 0.00 C ATOM 1183 O LEU A 77 44.849 17.181 -4.623 1.00 0.00 O ATOM 1184 CB LEU A 77 44.085 17.066 -1.931 1.00 0.00 C ATOM 1185 CG LEU A 77 43.705 16.885 -0.456 1.00 0.00 C ATOM 1186 CD1 LEU A 77 44.925 16.995 0.447 1.00 0.00 C ATOM 1187 CD2 LEU A 77 42.651 17.907 -0.063 1.00 0.00 C ATOM 0 H LEU A 77 46.250 14.969 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 77 44.298 14.952 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 77 44.717 17.950 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 77 43.176 17.269 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 77 43.292 15.884 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 44.622 16.862 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 77 45.647 16.224 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 77 45.381 17.978 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 77 42.386 17.772 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 77 43.046 18.912 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 77 41.764 17.771 -0.681 1.00 0.00 H new ATOM 1199 N GLU A 78 44.663 14.959 -4.843 1.00 0.00 N ATOM 1200 CA GLU A 78 44.527 15.043 -6.289 1.00 0.00 C ATOM 1201 C GLU A 78 43.052 15.171 -6.657 1.00 0.00 C ATOM 1202 O GLU A 78 42.686 16.025 -7.468 1.00 0.00 O ATOM 1203 CB GLU A 78 45.183 13.848 -7.007 1.00 0.00 C ATOM 1204 CG GLU A 78 44.522 12.493 -6.773 1.00 0.00 C ATOM 1205 CD GLU A 78 44.589 12.039 -5.334 1.00 0.00 C ATOM 1206 OE1 GLU A 78 43.669 12.379 -4.565 1.00 0.00 O ATOM 1207 OE2 GLU A 78 45.562 11.351 -4.969 1.00 0.00 O ATOM 0 H GLU A 78 44.657 14.012 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 78 45.058 15.932 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 78 45.188 14.049 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 78 46.224 13.784 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 78 43.478 12.547 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 78 45.003 11.747 -7.405 1.00 0.00 H new ATOM 1214 N HIS A 79 42.209 14.332 -6.032 1.00 0.00 N ATOM 1215 CA HIS A 79 40.750 14.413 -6.185 1.00 0.00 C ATOM 1216 C HIS A 79 40.061 13.220 -5.526 1.00 0.00 C ATOM 1217 O HIS A 79 39.088 13.390 -4.791 1.00 0.00 O ATOM 1218 CB HIS A 79 40.334 14.464 -7.659 1.00 0.00 C ATOM 1219 CG HIS A 79 39.342 15.547 -7.963 1.00 0.00 C ATOM 1220 ND1 HIS A 79 37.990 15.441 -7.699 1.00 0.00 N ATOM 1221 CD2 HIS A 79 39.515 16.770 -8.515 1.00 0.00 C ATOM 1222 CE1 HIS A 79 37.383 16.550 -8.080 1.00 0.00 C ATOM 1223 NE2 HIS A 79 38.285 17.371 -8.579 1.00 0.00 N ATOM 0 H HIS A 79 42.519 13.584 -5.411 1.00 0.00 H new ATOM 0 HA HIS A 79 40.439 15.336 -5.695 1.00 0.00 H new ATOM 0 HB2 HIS A 79 41.222 14.612 -8.274 1.00 0.00 H new ATOM 0 HB3 HIS A 79 39.907 13.502 -7.942 1.00 0.00 H new ATOM 0 HD2 HIS A 79 40.451 17.195 -8.845 1.00 0.00 H new ATOM 0 HE1 HIS A 79 36.325 16.751 -7.997 1.00 0.00 H new ATOM 0 HE2 HIS A 79 38.098 18.302 -8.952 1.00 0.00 H new ATOM 1232 N HIS A 80 40.576 12.017 -5.811 1.00 0.00 N ATOM 1233 CA HIS A 80 39.971 10.756 -5.349 1.00 0.00 C ATOM 1234 C HIS A 80 38.588 10.545 -5.969 1.00 0.00 C ATOM 1235 O HIS A 80 38.082 11.415 -6.681 1.00 0.00 O ATOM 1236 CB HIS A 80 39.862 10.702 -3.819 1.00 0.00 C ATOM 1237 CG HIS A 80 41.178 10.635 -3.110 1.00 0.00 C ATOM 1238 ND1 HIS A 80 41.486 11.420 -2.022 1.00 0.00 N ATOM 1239 CD2 HIS A 80 42.262 9.854 -3.326 1.00 0.00 C ATOM 1240 CE1 HIS A 80 42.701 11.125 -1.599 1.00 0.00 C ATOM 1241 NE2 HIS A 80 43.196 10.178 -2.373 1.00 0.00 N ATOM 0 H HIS A 80 41.422 11.888 -6.367 1.00 0.00 H new ATOM 0 HA HIS A 80 40.633 9.954 -5.675 1.00 0.00 H new ATOM 0 HB2 HIS A 80 39.321 11.583 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS A 80 39.267 9.833 -3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 80 42.372 9.113 -4.104 1.00 0.00 H new ATOM 0 HE1 HIS A 80 43.205 11.582 -0.760 1.00 0.00 H new ATOM 0 HE2 HIS A 80 44.120 9.756 -2.279 1.00 0.00 H new ATOM 1250 N HIS A 81 37.995 9.378 -5.703 1.00 0.00 N ATOM 1251 CA HIS A 81 36.638 9.050 -6.160 1.00 0.00 C ATOM 1252 C HIS A 81 36.512 9.057 -7.681 1.00 0.00 C ATOM 1253 O HIS A 81 36.270 10.099 -8.293 1.00 0.00 O ATOM 1254 CB HIS A 81 35.604 10.009 -5.561 1.00 0.00 C ATOM 1255 CG HIS A 81 35.205 9.679 -4.159 1.00 0.00 C ATOM 1256 ND1 HIS A 81 33.955 9.208 -3.832 1.00 0.00 N ATOM 1257 CD2 HIS A 81 35.893 9.754 -2.997 1.00 0.00 C ATOM 1258 CE1 HIS A 81 33.889 9.009 -2.531 1.00 0.00 C ATOM 1259 NE2 HIS A 81 35.052 9.330 -1.999 1.00 0.00 N ATOM 0 H HIS A 81 38.440 8.634 -5.166 1.00 0.00 H new ATOM 0 HA HIS A 81 36.441 8.037 -5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 81 36.007 11.021 -5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 81 34.714 10.006 -6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 81 36.914 10.086 -2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 81 33.027 8.644 -1.991 1.00 0.00 H new ATOM 0 HE2 HIS A 81 35.288 9.273 -1.008 1.00 0.00 H new ATOM 1268 N HIS A 82 36.683 7.895 -8.294 1.00 0.00 N ATOM 1269 CA HIS A 82 36.449 7.755 -9.724 1.00 0.00 C ATOM 1270 C HIS A 82 35.697 6.475 -10.055 1.00 0.00 C ATOM 1271 O HIS A 82 36.292 5.405 -10.192 1.00 0.00 O ATOM 1272 CB HIS A 82 37.752 7.808 -10.521 1.00 0.00 C ATOM 1273 CG HIS A 82 37.956 9.108 -11.237 1.00 0.00 C ATOM 1274 ND1 HIS A 82 37.345 9.420 -12.440 1.00 0.00 N ATOM 1275 CD2 HIS A 82 38.702 10.184 -10.909 1.00 0.00 C ATOM 1276 CE1 HIS A 82 37.714 10.630 -12.814 1.00 0.00 C ATOM 1277 NE2 HIS A 82 38.535 11.114 -11.903 1.00 0.00 N ATOM 0 H HIS A 82 36.982 7.039 -7.826 1.00 0.00 H new ATOM 0 HA HIS A 82 35.829 8.604 -10.014 1.00 0.00 H new ATOM 0 HB2 HIS A 82 38.590 7.638 -9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 82 37.759 6.996 -11.248 1.00 0.00 H new ATOM 0 HD1 HIS A 82 36.710 8.810 -12.955 1.00 0.00 H new ATOM 0 HD2 HIS A 82 39.316 10.292 -10.027 1.00 0.00 H new ATOM 0 HE1 HIS A 82 37.398 11.138 -13.713 1.00 0.00 H new ATOM 1286 N HIS A 83 34.384 6.592 -10.162 1.00 0.00 N ATOM 1287 CA HIS A 83 33.568 5.520 -10.712 1.00 0.00 C ATOM 1288 C HIS A 83 32.998 5.995 -12.040 1.00 0.00 C ATOM 1289 O HIS A 83 32.373 5.240 -12.783 1.00 0.00 O ATOM 1290 CB HIS A 83 32.444 5.096 -9.747 1.00 0.00 C ATOM 1291 CG HIS A 83 31.338 6.099 -9.580 1.00 0.00 C ATOM 1292 ND1 HIS A 83 30.201 6.099 -10.357 1.00 0.00 N ATOM 1293 CD2 HIS A 83 31.189 7.121 -8.703 1.00 0.00 C ATOM 1294 CE1 HIS A 83 29.405 7.075 -9.969 1.00 0.00 C ATOM 1295 NE2 HIS A 83 29.976 7.712 -8.963 1.00 0.00 N ATOM 0 H HIS A 83 33.859 7.418 -9.875 1.00 0.00 H new ATOM 0 HA HIS A 83 34.188 4.636 -10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 83 32.014 4.160 -10.103 1.00 0.00 H new ATOM 0 HB3 HIS A 83 32.882 4.894 -8.769 1.00 0.00 H new ATOM 0 HD2 HIS A 83 31.894 7.417 -7.940 1.00 0.00 H new ATOM 0 HE1 HIS A 83 28.445 7.314 -10.402 1.00 0.00 H new ATOM 0 HE2 HIS A 83 29.583 8.509 -8.463 1.00 0.00 H new ATOM 1304 N HIS A 84 33.230 7.271 -12.313 1.00 0.00 N ATOM 1305 CA HIS A 84 32.840 7.890 -13.567 1.00 0.00 C ATOM 1306 C HIS A 84 33.843 8.986 -13.906 1.00 0.00 C ATOM 1307 O HIS A 84 33.564 10.163 -13.605 1.00 0.00 O ATOM 1308 CB HIS A 84 31.428 8.477 -13.458 1.00 0.00 C ATOM 1309 CG HIS A 84 30.879 9.003 -14.752 1.00 0.00 C ATOM 1310 ND1 HIS A 84 31.075 10.295 -15.188 1.00 0.00 N ATOM 1311 CD2 HIS A 84 30.116 8.404 -15.694 1.00 0.00 C ATOM 1312 CE1 HIS A 84 30.451 10.468 -16.337 1.00 0.00 C ATOM 1313 NE2 HIS A 84 29.860 9.336 -16.670 1.00 0.00 N ATOM 1314 OXT HIS A 84 34.924 8.655 -14.433 1.00 0.00 O ATOM 0 H HIS A 84 33.696 7.907 -11.666 1.00 0.00 H new ATOM 0 HA HIS A 84 32.834 7.140 -14.358 1.00 0.00 H new ATOM 0 HB2 HIS A 84 30.756 7.709 -13.077 1.00 0.00 H new ATOM 0 HB3 HIS A 84 31.438 9.284 -12.726 1.00 0.00 H new ATOM 0 HD1 HIS A 84 31.618 11.007 -14.699 1.00 0.00 H new ATOM 0 HD2 HIS A 84 29.771 7.381 -15.681 1.00 0.00 H new ATOM 0 HE1 HIS A 84 30.428 11.383 -16.910 1.00 0.00 H new TER 1323 HIS A 84