USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=23 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= -0.178 K(o=-0.25,f=1.8) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= -0.0686 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.108 (180deg=-0.718) USER MOD Single : A 1 MET N :NH3+ 127:sc= 0.0828 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 2.27 (180deg=1.64) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 61:sc= 0.112 USER MOD Single : A 12 TYR OH : rot 130:sc= 0.0309 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 37:sc= -0.0369 USER MOD Single : A 30 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.028) USER MOD Single : A 31 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.046) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.913) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2 X(o=-2,f=-2.5!) USER MOD Single : A 43 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.6) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0418 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 52 SER OG : rot 35:sc= 0.72 USER MOD Single : A 55 THR OG1 : rot -30:sc= 0.018 USER MOD Single : A 59 THR OG1 : rot 105:sc= 1.2 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 0.638! (180deg=-0.311!) USER MOD Single : A 64 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.7!) 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= 0.0133 K(o=0.013,f=-0.72) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 81 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 0.922 K(o=0.92,f=-2.8!) USER MOD Single : A 83 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 69.970 -28.648 7.112 1.00 0.00 N ATOM 2 CA MET A 1 71.252 -28.043 7.543 1.00 0.00 C ATOM 3 C MET A 1 71.354 -26.623 7.004 1.00 0.00 C ATOM 4 O MET A 1 70.700 -26.284 6.020 1.00 0.00 O ATOM 5 CB MET A 1 72.431 -28.883 7.030 1.00 0.00 C ATOM 6 CG MET A 1 73.780 -28.454 7.586 1.00 0.00 C ATOM 7 SD MET A 1 75.166 -29.293 6.790 1.00 0.00 S ATOM 8 CE MET A 1 75.047 -28.629 5.130 1.00 0.00 C ATOM 0 H1 MET A 1 70.155 -29.559 6.646 1.00 0.00 H new ATOM 0 H2 MET A 1 69.362 -28.801 7.942 1.00 0.00 H new ATOM 0 H3 MET A 1 69.491 -28.009 6.445 1.00 0.00 H new ATOM 0 HA MET A 1 71.286 -28.018 8.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.259 -29.928 7.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.461 -28.823 5.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 73.893 -27.377 7.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 73.807 -28.655 8.657 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.007 -28.737 4.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 74.282 -29.172 4.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.780 -27.573 5.179 1.00 0.00 H new ATOM 20 N ALA A 2 72.158 -25.789 7.651 1.00 0.00 N ATOM 21 CA ALA A 2 72.390 -24.439 7.168 1.00 0.00 C ATOM 22 C ALA A 2 73.306 -24.469 5.953 1.00 0.00 C ATOM 23 O ALA A 2 74.527 -24.528 6.084 1.00 0.00 O ATOM 24 CB ALA A 2 72.983 -23.575 8.270 1.00 0.00 C ATOM 0 H ALA A 2 72.658 -26.025 8.508 1.00 0.00 H new ATOM 0 HA ALA A 2 71.436 -24.002 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 2 73.151 -22.567 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 2 72.293 -23.536 9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 2 73.931 -24.002 8.597 1.00 0.00 H new ATOM 30 N GLY A 3 72.705 -24.476 4.772 1.00 0.00 N ATOM 31 CA GLY A 3 73.474 -24.502 3.544 1.00 0.00 C ATOM 32 C GLY A 3 72.593 -24.463 2.310 1.00 0.00 C ATOM 33 O GLY A 3 72.886 -25.112 1.306 1.00 0.00 O ATOM 0 H GLY A 3 71.693 -24.464 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 3 74.156 -23.652 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 3 74.087 -25.403 3.521 1.00 0.00 H new ATOM 37 N ASP A 4 71.513 -23.704 2.389 1.00 0.00 N ATOM 38 CA ASP A 4 70.581 -23.570 1.272 1.00 0.00 C ATOM 39 C ASP A 4 70.213 -22.103 1.078 1.00 0.00 C ATOM 40 O ASP A 4 69.337 -21.579 1.762 1.00 0.00 O ATOM 41 CB ASP A 4 69.309 -24.402 1.504 1.00 0.00 C ATOM 42 CG ASP A 4 69.572 -25.896 1.544 1.00 0.00 C ATOM 43 OD1 ASP A 4 69.525 -26.544 0.477 1.00 0.00 O ATOM 44 OD2 ASP A 4 69.814 -26.435 2.647 1.00 0.00 O ATOM 0 H ASP A 4 71.256 -23.167 3.217 1.00 0.00 H new ATOM 0 HA ASP A 4 71.072 -23.945 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 4 68.848 -24.095 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 4 68.592 -24.187 0.712 1.00 0.00 H new ATOM 49 N PRO A 5 70.905 -21.410 0.164 1.00 0.00 N ATOM 50 CA PRO A 5 70.680 -19.985 -0.077 1.00 0.00 C ATOM 51 C PRO A 5 69.446 -19.702 -0.936 1.00 0.00 C ATOM 52 O PRO A 5 68.784 -18.681 -0.752 1.00 0.00 O ATOM 53 CB PRO A 5 71.952 -19.558 -0.808 1.00 0.00 C ATOM 54 CG PRO A 5 72.402 -20.780 -1.533 1.00 0.00 C ATOM 55 CD PRO A 5 71.974 -21.958 -0.695 1.00 0.00 C ATOM 0 HA PRO A 5 70.490 -19.445 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 5 71.755 -18.738 -1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 5 72.712 -19.210 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 5 71.956 -20.828 -2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 5 73.483 -20.774 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 5 71.609 -22.778 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 5 72.801 -22.350 -0.103 1.00 0.00 H new ATOM 63 N LEU A 6 69.142 -20.629 -1.853 1.00 0.00 N ATOM 64 CA LEU A 6 68.065 -20.463 -2.835 1.00 0.00 C ATOM 65 C LEU A 6 68.405 -19.366 -3.848 1.00 0.00 C ATOM 66 O LEU A 6 68.777 -18.251 -3.480 1.00 0.00 O ATOM 67 CB LEU A 6 66.710 -20.173 -2.161 1.00 0.00 C ATOM 68 CG LEU A 6 65.946 -21.397 -1.636 1.00 0.00 C ATOM 69 CD1 LEU A 6 66.704 -22.082 -0.509 1.00 0.00 C ATOM 70 CD2 LEU A 6 64.555 -20.989 -1.170 1.00 0.00 C ATOM 0 H LEU A 6 69.637 -21.517 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 6 67.973 -21.410 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 6 66.879 -19.490 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 6 66.074 -19.652 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 6 65.850 -22.111 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 6 66.136 -22.944 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.677 -22.412 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 6 66.843 -21.382 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.023 -21.866 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.640 -20.253 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.004 -20.556 -2.005 1.00 0.00 H new ATOM 82 N PRO A 7 68.294 -19.682 -5.151 1.00 0.00 N ATOM 83 CA PRO A 7 68.568 -18.726 -6.228 1.00 0.00 C ATOM 84 C PRO A 7 67.677 -17.495 -6.128 1.00 0.00 C ATOM 85 O PRO A 7 66.465 -17.567 -6.350 1.00 0.00 O ATOM 86 CB PRO A 7 68.265 -19.515 -7.510 1.00 0.00 C ATOM 87 CG PRO A 7 67.443 -20.679 -7.069 1.00 0.00 C ATOM 88 CD PRO A 7 67.893 -20.995 -5.674 1.00 0.00 C ATOM 0 HA PRO A 7 69.590 -18.349 -6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 7 67.724 -18.902 -8.231 1.00 0.00 H new ATOM 0 HB3 PRO A 7 69.183 -19.843 -7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 7 66.380 -20.438 -7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 7 67.590 -21.533 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 7 67.092 -21.438 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 7 68.722 -21.702 -5.668 1.00 0.00 H new ATOM 96 N LYS A 8 68.281 -16.368 -5.777 1.00 0.00 N ATOM 97 CA LYS A 8 67.533 -15.149 -5.524 1.00 0.00 C ATOM 98 C LYS A 8 67.430 -14.262 -6.751 1.00 0.00 C ATOM 99 O LYS A 8 68.355 -14.172 -7.560 1.00 0.00 O ATOM 100 CB LYS A 8 68.173 -14.339 -4.397 1.00 0.00 C ATOM 101 CG LYS A 8 67.909 -14.882 -3.008 1.00 0.00 C ATOM 102 CD LYS A 8 68.314 -13.869 -1.951 1.00 0.00 C ATOM 103 CE LYS A 8 67.906 -14.314 -0.559 1.00 0.00 C ATOM 104 NZ LYS A 8 68.042 -13.215 0.432 1.00 0.00 N ATOM 0 H LYS A 8 69.290 -16.275 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 8 66.530 -15.468 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 8 69.250 -14.300 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 8 67.806 -13.314 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 8 66.851 -15.124 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 8 68.464 -15.809 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 8 69.393 -13.721 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.854 -12.907 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 8 66.873 -14.662 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 8 68.522 -15.159 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 67.471 -13.434 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.040 -13.117 0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 67.710 -12.324 0.010 1.00 0.00 H new ATOM 118 N TYR A 9 66.279 -13.623 -6.876 1.00 0.00 N ATOM 119 CA TYR A 9 66.108 -12.502 -7.779 1.00 0.00 C ATOM 120 C TYR A 9 65.981 -11.242 -6.934 1.00 0.00 C ATOM 121 O TYR A 9 64.961 -11.041 -6.271 1.00 0.00 O ATOM 122 CB TYR A 9 64.865 -12.672 -8.658 1.00 0.00 C ATOM 123 CG TYR A 9 64.920 -13.866 -9.586 1.00 0.00 C ATOM 124 CD1 TYR A 9 65.516 -13.772 -10.838 1.00 0.00 C ATOM 125 CD2 TYR A 9 64.366 -15.081 -9.212 1.00 0.00 C ATOM 126 CE1 TYR A 9 65.556 -14.861 -11.690 1.00 0.00 C ATOM 127 CE2 TYR A 9 64.402 -16.169 -10.055 1.00 0.00 C ATOM 128 CZ TYR A 9 64.996 -16.056 -11.291 1.00 0.00 C ATOM 129 OH TYR A 9 65.025 -17.145 -12.134 1.00 0.00 O ATOM 0 H TYR A 9 65.438 -13.868 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 9 66.967 -12.439 -8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 9 63.989 -12.765 -8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 9 64.729 -11.769 -9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 9 65.954 -12.835 -11.150 1.00 0.00 H new ATOM 0 HD2 TYR A 9 63.898 -15.175 -8.243 1.00 0.00 H new ATOM 0 HE1 TYR A 9 66.022 -14.776 -12.660 1.00 0.00 H new ATOM 0 HE2 TYR A 9 63.966 -17.108 -9.747 1.00 0.00 H new ATOM 0 HH TYR A 9 64.588 -17.907 -11.699 1.00 0.00 H new ATOM 139 N TRP A 10 67.032 -10.433 -6.921 1.00 0.00 N ATOM 140 CA TRP A 10 67.096 -9.268 -6.042 1.00 0.00 C ATOM 141 C TRP A 10 65.928 -8.314 -6.272 1.00 0.00 C ATOM 142 O TRP A 10 65.769 -7.745 -7.355 1.00 0.00 O ATOM 143 CB TRP A 10 68.425 -8.532 -6.222 1.00 0.00 C ATOM 144 CG TRP A 10 69.605 -9.296 -5.694 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.004 -9.380 -4.391 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.539 -10.074 -6.450 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.131 -10.159 -4.292 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.475 -10.603 -5.541 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.672 -10.380 -7.805 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.531 -11.416 -5.947 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.720 -11.185 -8.206 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.635 -11.697 -7.281 1.00 0.00 C ATOM 0 H TRP A 10 67.855 -10.561 -7.510 1.00 0.00 H new ATOM 0 HA TRP A 10 67.026 -9.632 -5.017 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.578 -8.328 -7.282 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.370 -7.568 -5.716 1.00 0.00 H new ATOM 0 HD1 TRP A 10 69.506 -8.903 -3.559 1.00 0.00 H new ATOM 0 HE1 TRP A 10 71.630 -10.372 -3.429 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.968 -9.994 -8.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.241 -11.810 -5.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.835 -11.423 -9.253 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.441 -12.327 -7.627 1.00 0.00 H new ATOM 163 N SER A 11 65.121 -8.149 -5.232 1.00 0.00 N ATOM 164 CA SER A 11 63.943 -7.300 -5.289 1.00 0.00 C ATOM 165 C SER A 11 64.315 -5.838 -5.079 1.00 0.00 C ATOM 166 O SER A 11 63.597 -4.932 -5.501 1.00 0.00 O ATOM 167 CB SER A 11 62.937 -7.757 -4.234 1.00 0.00 C ATOM 168 OG SER A 11 63.582 -8.009 -2.995 1.00 0.00 O ATOM 0 H SER A 11 65.266 -8.600 -4.328 1.00 0.00 H new ATOM 0 HA SER A 11 63.492 -7.387 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 11 62.171 -6.993 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 11 62.431 -8.660 -4.575 1.00 0.00 H new ATOM 0 HG SER A 11 64.007 -7.186 -2.674 1.00 0.00 H new ATOM 174 N TYR A 12 65.446 -5.618 -4.423 1.00 0.00 N ATOM 175 CA TYR A 12 65.950 -4.271 -4.209 1.00 0.00 C ATOM 176 C TYR A 12 66.968 -3.921 -5.287 1.00 0.00 C ATOM 177 O TYR A 12 68.071 -4.475 -5.314 1.00 0.00 O ATOM 178 CB TYR A 12 66.585 -4.141 -2.822 1.00 0.00 C ATOM 179 CG TYR A 12 65.620 -4.346 -1.675 1.00 0.00 C ATOM 180 CD1 TYR A 12 65.408 -5.611 -1.137 1.00 0.00 C ATOM 181 CD2 TYR A 12 64.924 -3.275 -1.128 1.00 0.00 C ATOM 182 CE1 TYR A 12 64.531 -5.803 -0.091 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.046 -3.459 -0.078 1.00 0.00 C ATOM 184 CZ TYR A 12 63.853 -4.725 0.435 1.00 0.00 C ATOM 185 OH TYR A 12 62.975 -4.914 1.474 1.00 0.00 O ATOM 0 H TYR A 12 66.031 -6.356 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 12 65.113 -3.575 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 12 67.393 -4.867 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 12 67.034 -3.152 -2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 12 65.940 -6.457 -1.546 1.00 0.00 H new ATOM 0 HD2 TYR A 12 65.072 -2.284 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 12 64.376 -6.792 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 12 63.514 -2.617 0.339 1.00 0.00 H new ATOM 0 HH TYR A 12 63.173 -4.274 2.190 1.00 0.00 H new ATOM 195 N PRO A 13 66.604 -3.009 -6.200 1.00 0.00 N ATOM 196 CA PRO A 13 67.459 -2.623 -7.320 1.00 0.00 C ATOM 197 C PRO A 13 68.531 -1.606 -6.933 1.00 0.00 C ATOM 198 O PRO A 13 68.497 -1.023 -5.845 1.00 0.00 O ATOM 199 CB PRO A 13 66.469 -2.001 -8.300 1.00 0.00 C ATOM 200 CG PRO A 13 65.411 -1.407 -7.438 1.00 0.00 C ATOM 201 CD PRO A 13 65.321 -2.282 -6.213 1.00 0.00 C ATOM 0 HA PRO A 13 68.017 -3.471 -7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.948 -1.243 -8.920 1.00 0.00 H new ATOM 0 HB3 PRO A 13 66.056 -2.750 -8.975 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.662 -0.382 -7.166 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.456 -1.373 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.189 -1.689 -5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.475 -2.966 -6.272 1.00 0.00 H new ATOM 209 N VAL A 14 69.484 -1.401 -7.832 1.00 0.00 N ATOM 210 CA VAL A 14 70.527 -0.404 -7.636 1.00 0.00 C ATOM 211 C VAL A 14 69.945 0.998 -7.795 1.00 0.00 C ATOM 212 O VAL A 14 69.096 1.233 -8.660 1.00 0.00 O ATOM 213 CB VAL A 14 71.693 -0.598 -8.637 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.764 0.470 -8.449 1.00 0.00 C ATOM 215 CG2 VAL A 14 72.298 -1.985 -8.487 1.00 0.00 C ATOM 0 H VAL A 14 69.556 -1.916 -8.710 1.00 0.00 H new ATOM 0 HA VAL A 14 70.920 -0.528 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 14 71.289 -0.498 -9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.569 0.308 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.327 1.456 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 14 73.162 0.412 -7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 14 73.116 -2.104 -9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.678 -2.109 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.535 -2.738 -8.683 1.00 0.00 H new ATOM 225 N GLY A 15 70.382 1.917 -6.945 1.00 0.00 N ATOM 226 CA GLY A 15 69.902 3.277 -7.022 1.00 0.00 C ATOM 227 C GLY A 15 68.631 3.480 -6.226 1.00 0.00 C ATOM 228 O GLY A 15 67.849 4.382 -6.514 1.00 0.00 O ATOM 0 H GLY A 15 71.061 1.742 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.672 3.954 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.721 3.538 -8.065 1.00 0.00 H new ATOM 232 N LEU A 16 68.427 2.637 -5.222 1.00 0.00 N ATOM 233 CA LEU A 16 67.264 2.751 -4.356 1.00 0.00 C ATOM 234 C LEU A 16 67.679 3.265 -2.983 1.00 0.00 C ATOM 235 O LEU A 16 68.556 2.688 -2.337 1.00 0.00 O ATOM 236 CB LEU A 16 66.565 1.396 -4.215 1.00 0.00 C ATOM 237 CG LEU A 16 65.272 1.415 -3.394 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.224 2.288 -4.066 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.743 0.003 -3.199 1.00 0.00 C ATOM 0 H LEU A 16 69.053 1.867 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 16 66.568 3.459 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.339 1.016 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.259 0.693 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 16 65.495 1.838 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.313 2.289 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.601 3.307 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 16 64.006 1.895 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.824 0.036 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.538 -0.446 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.487 -0.595 -2.673 1.00 0.00 H new ATOM 251 N ALA A 17 67.063 4.361 -2.555 1.00 0.00 N ATOM 252 CA ALA A 17 67.328 4.921 -1.236 1.00 0.00 C ATOM 253 C ALA A 17 66.509 4.198 -0.173 1.00 0.00 C ATOM 254 O ALA A 17 65.282 4.119 -0.266 1.00 0.00 O ATOM 255 CB ALA A 17 67.027 6.413 -1.222 1.00 0.00 C ATOM 0 H ALA A 17 66.376 4.879 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 17 68.384 4.781 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.230 6.816 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.657 6.918 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 17 65.978 6.575 -1.472 1.00 0.00 H new ATOM 261 N VAL A 18 67.191 3.679 0.836 1.00 0.00 N ATOM 262 CA VAL A 18 66.549 2.893 1.879 1.00 0.00 C ATOM 263 C VAL A 18 67.023 3.329 3.263 1.00 0.00 C ATOM 264 O VAL A 18 68.161 3.780 3.428 1.00 0.00 O ATOM 265 CB VAL A 18 66.839 1.378 1.710 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.254 0.847 0.413 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.336 1.101 1.766 1.00 0.00 C ATOM 0 H VAL A 18 68.198 3.789 0.955 1.00 0.00 H new ATOM 0 HA VAL A 18 65.477 3.065 1.786 1.00 0.00 H new ATOM 0 HB VAL A 18 66.359 0.858 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.474 -0.217 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.174 0.996 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.694 1.381 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.513 0.032 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.837 1.645 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.731 1.428 2.728 1.00 0.00 H new ATOM 277 N GLU A 19 66.142 3.212 4.246 1.00 0.00 N ATOM 278 CA GLU A 19 66.526 3.389 5.638 1.00 0.00 C ATOM 279 C GLU A 19 66.769 2.029 6.268 1.00 0.00 C ATOM 280 O GLU A 19 65.891 1.159 6.251 1.00 0.00 O ATOM 281 CB GLU A 19 65.454 4.142 6.433 1.00 0.00 C ATOM 282 CG GLU A 19 65.332 5.609 6.070 1.00 0.00 C ATOM 283 CD GLU A 19 64.437 6.373 7.026 1.00 0.00 C ATOM 284 OE1 GLU A 19 64.945 6.874 8.049 1.00 0.00 O ATOM 285 OE2 GLU A 19 63.225 6.490 6.754 1.00 0.00 O ATOM 0 H GLU A 19 65.155 2.995 4.105 1.00 0.00 H new ATOM 0 HA GLU A 19 67.438 3.986 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 19 64.491 3.658 6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.680 4.059 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 19 66.323 6.062 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.936 5.698 5.058 1.00 0.00 H new ATOM 292 N ILE A 20 67.964 1.838 6.794 1.00 0.00 N ATOM 293 CA ILE A 20 68.312 0.587 7.440 1.00 0.00 C ATOM 294 C ILE A 20 67.608 0.468 8.782 1.00 0.00 C ATOM 295 O ILE A 20 67.540 1.423 9.546 1.00 0.00 O ATOM 296 CB ILE A 20 69.842 0.442 7.653 1.00 0.00 C ATOM 297 CG1 ILE A 20 70.558 0.183 6.323 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.145 -0.677 8.646 1.00 0.00 C ATOM 299 CD1 ILE A 20 70.690 1.404 5.440 1.00 0.00 C ATOM 0 H ILE A 20 68.710 2.533 6.787 1.00 0.00 H new ATOM 0 HA ILE A 20 67.985 -0.212 6.775 1.00 0.00 H new ATOM 0 HB ILE A 20 70.214 1.380 8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.553 -0.211 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.017 -0.589 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.223 -0.762 8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.676 -0.450 9.604 1.00 0.00 H new ATOM 0 HG23 ILE A 20 69.752 -1.619 8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.208 1.133 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 20 69.699 1.788 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.259 2.172 5.964 1.00 0.00 H new ATOM 311 N ASN A 21 67.080 -0.707 9.061 1.00 0.00 N ATOM 312 CA ASN A 21 66.480 -0.985 10.338 1.00 0.00 C ATOM 313 C ASN A 21 66.952 -2.340 10.817 1.00 0.00 C ATOM 314 O ASN A 21 66.202 -3.309 10.804 1.00 0.00 O ATOM 315 CB ASN A 21 64.944 -0.914 10.263 1.00 0.00 C ATOM 316 CG ASN A 21 64.347 -1.714 9.115 1.00 0.00 C ATOM 317 OD1 ASN A 21 63.976 -2.880 9.266 1.00 0.00 O ATOM 318 ND2 ASN A 21 64.242 -1.086 7.956 1.00 0.00 N ATOM 0 H ASN A 21 67.058 -1.490 8.407 1.00 0.00 H new ATOM 0 HA ASN A 21 66.791 -0.226 11.056 1.00 0.00 H new ATOM 0 HB2 ASN A 21 64.527 -1.277 11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 21 64.642 0.129 10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 21 63.843 -1.567 7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 21 64.560 -0.121 7.868 1.00 0.00 H new ATOM 325 N ASN A 22 68.233 -2.415 11.185 1.00 0.00 N ATOM 326 CA ASN A 22 68.805 -3.651 11.712 1.00 0.00 C ATOM 327 C ASN A 22 68.160 -3.951 13.048 1.00 0.00 C ATOM 328 O ASN A 22 68.662 -3.552 14.099 1.00 0.00 O ATOM 329 CB ASN A 22 70.328 -3.550 11.847 1.00 0.00 C ATOM 330 CG ASN A 22 70.962 -4.829 12.369 1.00 0.00 C ATOM 331 OD1 ASN A 22 71.154 -4.994 13.574 1.00 0.00 O ATOM 332 ND2 ASN A 22 71.286 -5.745 11.469 1.00 0.00 N ATOM 0 H ASN A 22 68.890 -1.637 11.127 1.00 0.00 H new ATOM 0 HA ASN A 22 68.604 -4.466 11.016 1.00 0.00 H new ATOM 0 HB2 ASN A 22 70.758 -3.307 10.875 1.00 0.00 H new ATOM 0 HB3 ASN A 22 70.574 -2.728 12.519 1.00 0.00 H new ATOM 0 HD21 ASN A 22 71.710 -6.624 11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 22 71.111 -5.572 10.479 1.00 0.00 H new ATOM 339 N ASN A 23 66.977 -4.557 12.963 1.00 0.00 N ATOM 340 CA ASN A 23 66.105 -4.811 14.114 1.00 0.00 C ATOM 341 C ASN A 23 65.422 -3.509 14.539 1.00 0.00 C ATOM 342 O ASN A 23 64.296 -3.517 15.040 1.00 0.00 O ATOM 343 CB ASN A 23 66.880 -5.434 15.287 1.00 0.00 C ATOM 344 CG ASN A 23 65.976 -5.876 16.426 1.00 0.00 C ATOM 345 OD1 ASN A 23 64.827 -6.257 16.214 1.00 0.00 O ATOM 346 ND2 ASN A 23 66.495 -5.843 17.646 1.00 0.00 N ATOM 0 H ASN A 23 66.589 -4.891 12.081 1.00 0.00 H new ATOM 0 HA ASN A 23 65.344 -5.533 13.816 1.00 0.00 H new ATOM 0 HB2 ASN A 23 67.447 -6.292 14.926 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.603 -4.710 15.664 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.936 -6.140 18.446 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.453 -5.521 17.784 1.00 0.00 H new ATOM 353 N ALA A 24 66.121 -2.387 14.313 1.00 0.00 N ATOM 354 CA ALA A 24 65.612 -1.038 14.588 1.00 0.00 C ATOM 355 C ALA A 24 65.281 -0.805 16.065 1.00 0.00 C ATOM 356 O ALA A 24 64.821 0.279 16.426 1.00 0.00 O ATOM 357 CB ALA A 24 64.405 -0.738 13.716 1.00 0.00 C ATOM 0 H ALA A 24 67.066 -2.392 13.930 1.00 0.00 H new ATOM 0 HA ALA A 24 66.418 -0.347 14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 24 64.040 0.266 13.933 1.00 0.00 H new ATOM 0 HB2 ALA A 24 64.690 -0.802 12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 24 63.618 -1.463 13.923 1.00 0.00 H new ATOM 363 N ARG A 25 65.566 -1.800 16.910 1.00 0.00 N ATOM 364 CA ARG A 25 65.193 -1.769 18.323 1.00 0.00 C ATOM 365 C ARG A 25 63.723 -1.356 18.469 1.00 0.00 C ATOM 366 O ARG A 25 62.828 -2.182 18.300 1.00 0.00 O ATOM 367 CB ARG A 25 66.124 -0.847 19.133 1.00 0.00 C ATOM 368 CG ARG A 25 65.773 -0.738 20.616 1.00 0.00 C ATOM 369 CD ARG A 25 65.753 -2.097 21.302 1.00 0.00 C ATOM 370 NE ARG A 25 65.304 -2.001 22.692 1.00 0.00 N ATOM 371 CZ ARG A 25 64.667 -2.977 23.341 1.00 0.00 C ATOM 372 NH1 ARG A 25 64.350 -4.105 22.717 1.00 0.00 N ATOM 373 NH2 ARG A 25 64.318 -2.814 24.612 1.00 0.00 N ATOM 0 H ARG A 25 66.061 -2.647 16.632 1.00 0.00 H new ATOM 0 HA ARG A 25 65.310 -2.772 18.733 1.00 0.00 H new ATOM 0 HB2 ARG A 25 67.147 -1.212 19.040 1.00 0.00 H new ATOM 0 HB3 ARG A 25 66.100 0.150 18.693 1.00 0.00 H new ATOM 0 HG2 ARG A 25 66.497 -0.092 21.113 1.00 0.00 H new ATOM 0 HG3 ARG A 25 64.797 -0.264 20.723 1.00 0.00 H new ATOM 0 HD2 ARG A 25 65.095 -2.771 20.754 1.00 0.00 H new ATOM 0 HD3 ARG A 25 66.751 -2.533 21.272 1.00 0.00 H new ATOM 0 HE ARG A 25 65.490 -1.134 23.196 1.00 0.00 H new ATOM 0 HH11 ARG A 25 64.594 -4.230 21.734 1.00 0.00 H new ATOM 0 HH12 ARG A 25 63.863 -4.847 23.220 1.00 0.00 H new ATOM 0 HH21 ARG A 25 64.537 -1.942 25.093 1.00 0.00 H new ATOM 0 HH22 ARG A 25 63.831 -3.561 25.107 1.00 0.00 H new ATOM 387 N TYR A 26 63.497 -0.075 18.751 1.00 0.00 N ATOM 388 CA TYR A 26 62.160 0.508 18.798 1.00 0.00 C ATOM 389 C TYR A 26 62.258 1.998 18.494 1.00 0.00 C ATOM 390 O TYR A 26 62.452 2.815 19.397 1.00 0.00 O ATOM 391 CB TYR A 26 61.486 0.292 20.165 1.00 0.00 C ATOM 392 CG TYR A 26 61.006 -1.123 20.401 1.00 0.00 C ATOM 393 CD1 TYR A 26 59.878 -1.607 19.750 1.00 0.00 C ATOM 394 CD2 TYR A 26 61.685 -1.974 21.262 1.00 0.00 C ATOM 395 CE1 TYR A 26 59.438 -2.899 19.957 1.00 0.00 C ATOM 396 CE2 TYR A 26 61.251 -3.268 21.472 1.00 0.00 C ATOM 397 CZ TYR A 26 60.128 -3.724 20.816 1.00 0.00 C ATOM 398 OH TYR A 26 59.694 -5.011 21.021 1.00 0.00 O ATOM 0 H TYR A 26 64.242 0.591 18.955 1.00 0.00 H new ATOM 0 HA TYR A 26 61.542 0.009 18.051 1.00 0.00 H new ATOM 0 HB2 TYR A 26 62.191 0.561 20.952 1.00 0.00 H new ATOM 0 HB3 TYR A 26 60.638 0.971 20.251 1.00 0.00 H new ATOM 0 HD1 TYR A 26 59.338 -0.963 19.072 1.00 0.00 H new ATOM 0 HD2 TYR A 26 62.566 -1.619 21.776 1.00 0.00 H new ATOM 0 HE1 TYR A 26 58.557 -3.261 19.448 1.00 0.00 H new ATOM 0 HE2 TYR A 26 61.788 -3.919 22.146 1.00 0.00 H new ATOM 0 HH TYR A 26 60.292 -5.461 21.654 1.00 0.00 H new ATOM 408 N GLY A 27 62.186 2.343 17.214 1.00 0.00 N ATOM 409 CA GLY A 27 62.295 3.736 16.809 1.00 0.00 C ATOM 410 C GLY A 27 63.739 4.183 16.642 1.00 0.00 C ATOM 411 O GLY A 27 64.017 5.176 15.970 1.00 0.00 O ATOM 0 H GLY A 27 62.054 1.684 16.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 61.762 3.880 15.869 1.00 0.00 H new ATOM 0 HA3 GLY A 27 61.807 4.366 17.552 1.00 0.00 H new ATOM 415 N CYS A 28 64.653 3.442 17.255 1.00 0.00 N ATOM 416 CA CYS A 28 66.076 3.742 17.187 1.00 0.00 C ATOM 417 C CYS A 28 66.885 2.540 17.667 1.00 0.00 C ATOM 418 O CYS A 28 66.814 2.158 18.837 1.00 0.00 O ATOM 419 CB CYS A 28 66.415 4.978 18.028 1.00 0.00 C ATOM 420 SG CYS A 28 65.850 4.885 19.745 1.00 0.00 S ATOM 0 H CYS A 28 64.429 2.618 17.812 1.00 0.00 H new ATOM 0 HA CYS A 28 66.334 3.956 16.150 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.495 5.124 18.020 1.00 0.00 H new ATOM 0 HB3 CYS A 28 65.971 5.856 17.558 1.00 0.00 H new ATOM 0 HG CYS A 28 65.970 3.664 20.176 1.00 0.00 H new ATOM 426 N PRO A 29 67.648 1.920 16.760 1.00 0.00 N ATOM 427 CA PRO A 29 68.450 0.743 17.065 1.00 0.00 C ATOM 428 C PRO A 29 69.853 1.107 17.556 1.00 0.00 C ATOM 429 O PRO A 29 70.077 2.207 18.064 1.00 0.00 O ATOM 430 CB PRO A 29 68.522 0.029 15.718 1.00 0.00 C ATOM 431 CG PRO A 29 68.292 1.079 14.672 1.00 0.00 C ATOM 432 CD PRO A 29 67.795 2.325 15.360 1.00 0.00 C ATOM 0 HA PRO A 29 68.020 0.142 17.867 1.00 0.00 H new ATOM 0 HB2 PRO A 29 69.492 -0.449 15.583 1.00 0.00 H new ATOM 0 HB3 PRO A 29 67.768 -0.756 15.653 1.00 0.00 H new ATOM 0 HG2 PRO A 29 69.215 1.286 14.131 1.00 0.00 H new ATOM 0 HG3 PRO A 29 67.563 0.733 13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 29 68.501 3.148 15.254 1.00 0.00 H new ATOM 0 HD3 PRO A 29 66.847 2.662 14.940 1.00 0.00 H new ATOM 440 N HIS A 30 70.792 0.181 17.405 1.00 0.00 N ATOM 441 CA HIS A 30 72.167 0.413 17.825 1.00 0.00 C ATOM 442 C HIS A 30 72.953 1.146 16.734 1.00 0.00 C ATOM 443 O HIS A 30 73.693 0.529 15.967 1.00 0.00 O ATOM 444 CB HIS A 30 72.840 -0.920 18.191 1.00 0.00 C ATOM 445 CG HIS A 30 74.290 -0.805 18.551 1.00 0.00 C ATOM 446 ND1 HIS A 30 74.744 -0.165 19.681 1.00 0.00 N ATOM 447 CD2 HIS A 30 75.392 -1.245 17.903 1.00 0.00 C ATOM 448 CE1 HIS A 30 76.062 -0.215 19.713 1.00 0.00 C ATOM 449 NE2 HIS A 30 76.482 -0.866 18.644 1.00 0.00 N ATOM 0 H HIS A 30 70.626 -0.738 16.995 1.00 0.00 H new ATOM 0 HA HIS A 30 72.159 1.049 18.710 1.00 0.00 H new ATOM 0 HB2 HIS A 30 72.304 -1.365 19.030 1.00 0.00 H new ATOM 0 HB3 HIS A 30 72.741 -1.606 17.350 1.00 0.00 H new ATOM 0 HD2 HIS A 30 75.411 -1.794 16.973 1.00 0.00 H new ATOM 0 HE1 HIS A 30 76.691 0.206 20.484 1.00 0.00 H new ATOM 0 HE2 HIS A 30 77.456 -1.056 18.408 1.00 0.00 H new ATOM 458 N HIS A 31 72.732 2.460 16.647 1.00 0.00 N ATOM 459 CA HIS A 31 73.451 3.354 15.721 1.00 0.00 C ATOM 460 C HIS A 31 73.136 3.093 14.246 1.00 0.00 C ATOM 461 O HIS A 31 73.339 3.972 13.408 1.00 0.00 O ATOM 462 CB HIS A 31 74.963 3.319 15.962 1.00 0.00 C ATOM 463 CG HIS A 31 75.389 4.143 17.137 1.00 0.00 C ATOM 464 ND1 HIS A 31 76.495 3.859 17.901 1.00 0.00 N ATOM 465 CD2 HIS A 31 74.842 5.258 17.677 1.00 0.00 C ATOM 466 CE1 HIS A 31 76.608 4.755 18.861 1.00 0.00 C ATOM 467 NE2 HIS A 31 75.617 5.618 18.751 1.00 0.00 N ATOM 0 H HIS A 31 72.042 2.944 17.222 1.00 0.00 H new ATOM 0 HA HIS A 31 73.083 4.355 15.944 1.00 0.00 H new ATOM 0 HB2 HIS A 31 75.277 2.287 16.117 1.00 0.00 H new ATOM 0 HB3 HIS A 31 75.476 3.677 15.069 1.00 0.00 H new ATOM 0 HD2 HIS A 31 73.958 5.770 17.327 1.00 0.00 H new ATOM 0 HE1 HIS A 31 77.383 4.778 19.613 1.00 0.00 H new ATOM 0 HE2 HIS A 31 75.454 6.419 19.362 1.00 0.00 H new ATOM 476 N VAL A 32 72.660 1.901 13.919 1.00 0.00 N ATOM 477 CA VAL A 32 72.175 1.632 12.579 1.00 0.00 C ATOM 478 C VAL A 32 70.901 2.425 12.327 1.00 0.00 C ATOM 479 O VAL A 32 70.295 2.952 13.256 1.00 0.00 O ATOM 480 CB VAL A 32 71.917 0.127 12.332 1.00 0.00 C ATOM 481 CG1 VAL A 32 73.227 -0.629 12.186 1.00 0.00 C ATOM 482 CG2 VAL A 32 71.089 -0.472 13.455 1.00 0.00 C ATOM 0 H VAL A 32 72.600 1.110 14.561 1.00 0.00 H new ATOM 0 HA VAL A 32 72.954 1.942 11.882 1.00 0.00 H new ATOM 0 HB VAL A 32 71.357 0.033 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 32 73.020 -1.685 12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.788 -0.226 11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.814 -0.519 13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 32 70.921 -1.531 13.258 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.621 -0.358 14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 32 70.130 0.043 13.514 1.00 0.00 H new ATOM 492 N GLY A 33 70.494 2.503 11.080 1.00 0.00 N ATOM 493 CA GLY A 33 69.372 3.347 10.733 1.00 0.00 C ATOM 494 C GLY A 33 69.790 4.431 9.774 1.00 0.00 C ATOM 495 O GLY A 33 69.161 5.484 9.687 1.00 0.00 O ATOM 0 H GLY A 33 70.916 2.000 10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 33 68.583 2.743 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.956 3.795 11.635 1.00 0.00 H new ATOM 499 N ARG A 34 70.877 4.172 9.065 1.00 0.00 N ATOM 500 CA ARG A 34 71.409 5.112 8.098 1.00 0.00 C ATOM 501 C ARG A 34 70.491 5.202 6.888 1.00 0.00 C ATOM 502 O ARG A 34 69.795 4.241 6.558 1.00 0.00 O ATOM 503 CB ARG A 34 72.807 4.673 7.658 1.00 0.00 C ATOM 504 CG ARG A 34 73.808 4.586 8.798 1.00 0.00 C ATOM 505 CD ARG A 34 74.066 5.953 9.409 1.00 0.00 C ATOM 506 NE ARG A 34 74.928 5.886 10.588 1.00 0.00 N ATOM 507 CZ ARG A 34 75.349 6.958 11.256 1.00 0.00 C ATOM 508 NH1 ARG A 34 75.044 8.175 10.822 1.00 0.00 N ATOM 509 NH2 ARG A 34 76.087 6.820 12.347 1.00 0.00 N ATOM 0 H ARG A 34 71.412 3.307 9.145 1.00 0.00 H new ATOM 0 HA ARG A 34 71.472 6.095 8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.736 3.699 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.180 5.374 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.433 3.908 9.564 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.745 4.166 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.527 6.600 8.662 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.115 6.410 9.684 1.00 0.00 H new ATOM 0 HE ARG A 34 75.223 4.967 10.917 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.486 8.290 9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.367 8.995 11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.336 5.889 12.680 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.406 7.645 12.854 1.00 0.00 H new ATOM 523 N LYS A 35 70.470 6.360 6.247 1.00 0.00 N ATOM 524 CA LYS A 35 69.712 6.525 5.020 1.00 0.00 C ATOM 525 C LYS A 35 70.666 6.444 3.840 1.00 0.00 C ATOM 526 O LYS A 35 71.364 7.408 3.525 1.00 0.00 O ATOM 527 CB LYS A 35 68.961 7.859 5.010 1.00 0.00 C ATOM 528 CG LYS A 35 68.266 8.170 6.326 1.00 0.00 C ATOM 529 CD LYS A 35 67.275 9.316 6.193 1.00 0.00 C ATOM 530 CE LYS A 35 66.869 9.864 7.555 1.00 0.00 C ATOM 531 NZ LYS A 35 66.636 8.787 8.554 1.00 0.00 N ATOM 0 H LYS A 35 70.967 7.195 6.555 1.00 0.00 H new ATOM 0 HA LYS A 35 68.969 5.731 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.663 8.661 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.220 7.844 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 35 67.745 7.280 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 35 69.013 8.423 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 35 67.717 10.113 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 35 66.389 8.972 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 35 67.648 10.533 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 35 65.962 10.459 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 65.920 9.099 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 66.300 7.930 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 67.525 8.577 9.052 1.00 0.00 H new ATOM 545 N GLY A 36 70.719 5.280 3.219 1.00 0.00 N ATOM 546 CA GLY A 36 71.673 5.051 2.160 1.00 0.00 C ATOM 547 C GLY A 36 71.009 4.661 0.862 1.00 0.00 C ATOM 548 O GLY A 36 69.787 4.596 0.774 1.00 0.00 O ATOM 0 H GLY A 36 70.115 4.486 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.264 5.954 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.365 4.265 2.462 1.00 0.00 H new ATOM 552 N LYS A 37 71.819 4.407 -0.146 1.00 0.00 N ATOM 553 CA LYS A 37 71.317 4.008 -1.445 1.00 0.00 C ATOM 554 C LYS A 37 72.055 2.761 -1.926 1.00 0.00 C ATOM 555 O LYS A 37 73.283 2.699 -1.888 1.00 0.00 O ATOM 556 CB LYS A 37 71.455 5.176 -2.432 1.00 0.00 C ATOM 557 CG LYS A 37 71.025 4.860 -3.859 1.00 0.00 C ATOM 558 CD LYS A 37 70.550 6.110 -4.598 1.00 0.00 C ATOM 559 CE LYS A 37 71.565 7.248 -4.529 1.00 0.00 C ATOM 560 NZ LYS A 37 72.834 6.922 -5.227 1.00 0.00 N ATOM 0 H LYS A 37 72.835 4.471 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 37 70.259 3.756 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 37 70.863 6.015 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.495 5.502 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 37 71.859 4.413 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.224 4.121 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 37 70.358 5.861 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 37 69.604 6.444 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 37 71.131 8.145 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 37 71.777 7.478 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 73.489 7.727 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 73.265 6.082 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 72.639 6.728 -6.230 1.00 0.00 H new ATOM 574 N ILE A 38 71.292 1.760 -2.339 1.00 0.00 N ATOM 575 CA ILE A 38 71.851 0.471 -2.746 1.00 0.00 C ATOM 576 C ILE A 38 72.694 0.609 -4.011 1.00 0.00 C ATOM 577 O ILE A 38 72.266 1.231 -4.984 1.00 0.00 O ATOM 578 CB ILE A 38 70.731 -0.562 -2.983 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.841 -0.650 -1.742 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.317 -1.929 -3.321 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.621 -1.526 -1.918 1.00 0.00 C ATOM 0 H ILE A 38 70.275 1.813 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 38 72.491 0.124 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 38 70.128 -0.238 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.433 -1.032 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.518 0.354 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.508 -2.641 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.921 -1.853 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.941 -2.271 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.043 -1.535 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 38 68.005 -1.134 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 38 68.934 -2.542 -2.160 1.00 0.00 H new ATOM 593 N ILE A 39 73.892 0.027 -3.989 1.00 0.00 N ATOM 594 CA ILE A 39 74.820 0.155 -5.108 1.00 0.00 C ATOM 595 C ILE A 39 75.179 -1.193 -5.725 1.00 0.00 C ATOM 596 O ILE A 39 75.450 -1.281 -6.921 1.00 0.00 O ATOM 597 CB ILE A 39 76.124 0.868 -4.689 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.743 0.198 -3.459 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.864 2.337 -4.425 1.00 0.00 C ATOM 600 CD1 ILE A 39 78.088 0.772 -3.060 1.00 0.00 C ATOM 0 H ILE A 39 74.240 -0.535 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 39 74.298 0.755 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 39 76.836 0.786 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.054 0.294 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.858 -0.868 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.794 2.824 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.479 2.807 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 39 75.132 2.439 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.462 0.246 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.793 0.652 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.977 1.831 -2.829 1.00 0.00 H new ATOM 612 N GLU A 40 75.176 -2.244 -4.917 1.00 0.00 N ATOM 613 CA GLU A 40 75.652 -3.539 -5.375 1.00 0.00 C ATOM 614 C GLU A 40 74.792 -4.659 -4.806 1.00 0.00 C ATOM 615 O GLU A 40 74.329 -4.581 -3.665 1.00 0.00 O ATOM 616 CB GLU A 40 77.117 -3.718 -4.964 1.00 0.00 C ATOM 617 CG GLU A 40 77.770 -4.986 -5.482 1.00 0.00 C ATOM 618 CD GLU A 40 79.256 -5.034 -5.175 1.00 0.00 C ATOM 619 OE1 GLU A 40 79.621 -5.220 -3.997 1.00 0.00 O ATOM 620 OE2 GLU A 40 80.069 -4.860 -6.109 1.00 0.00 O ATOM 0 H GLU A 40 74.852 -2.225 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 40 75.579 -3.582 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.688 -2.860 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.178 -3.712 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.281 -5.852 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.621 -5.055 -6.560 1.00 0.00 H new ATOM 627 N HIS A 41 74.572 -5.686 -5.614 1.00 0.00 N ATOM 628 CA HIS A 41 73.789 -6.841 -5.197 1.00 0.00 C ATOM 629 C HIS A 41 74.712 -7.921 -4.654 1.00 0.00 C ATOM 630 O HIS A 41 75.709 -8.270 -5.290 1.00 0.00 O ATOM 631 CB HIS A 41 72.978 -7.408 -6.367 1.00 0.00 C ATOM 632 CG HIS A 41 72.023 -6.440 -6.994 1.00 0.00 C ATOM 633 ND1 HIS A 41 70.770 -6.178 -6.487 1.00 0.00 N ATOM 634 CD2 HIS A 41 72.134 -5.692 -8.117 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.152 -5.314 -7.272 1.00 0.00 C ATOM 636 NE2 HIS A 41 70.959 -5.002 -8.265 1.00 0.00 N ATOM 0 H HIS A 41 74.927 -5.743 -6.568 1.00 0.00 H new ATOM 0 HA HIS A 41 73.098 -6.518 -4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.669 -7.763 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.418 -8.275 -6.017 1.00 0.00 H new ATOM 0 HD1 HIS A 41 70.380 -6.587 -5.638 1.00 0.00 H new ATOM 0 HD2 HIS A 41 72.990 -5.647 -8.774 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.154 -4.929 -7.125 1.00 0.00 H new ATOM 645 N LEU A 42 74.390 -8.451 -3.485 1.00 0.00 N ATOM 646 CA LEU A 42 75.218 -9.473 -2.870 1.00 0.00 C ATOM 647 C LEU A 42 74.493 -10.811 -2.830 1.00 0.00 C ATOM 648 O LEU A 42 73.314 -10.885 -2.482 1.00 0.00 O ATOM 649 CB LEU A 42 75.621 -9.061 -1.454 1.00 0.00 C ATOM 650 CG LEU A 42 76.445 -7.780 -1.354 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.703 -7.434 0.100 1.00 0.00 C ATOM 652 CD2 LEU A 42 77.759 -7.936 -2.099 1.00 0.00 C ATOM 0 H LEU A 42 73.564 -8.191 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 42 76.117 -9.581 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.716 -8.938 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.190 -9.875 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 42 75.881 -6.968 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.292 -6.518 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.753 -7.287 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.250 -8.248 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.335 -7.014 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.328 -8.758 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.559 -8.148 -3.149 1.00 0.00 H new ATOM 664 N HIS A 43 75.195 -11.865 -3.209 1.00 0.00 N ATOM 665 CA HIS A 43 74.660 -13.211 -3.082 1.00 0.00 C ATOM 666 C HIS A 43 75.249 -13.883 -1.846 1.00 0.00 C ATOM 667 O HIS A 43 76.304 -14.515 -1.898 1.00 0.00 O ATOM 668 CB HIS A 43 74.894 -14.054 -4.353 1.00 0.00 C ATOM 669 CG HIS A 43 76.320 -14.136 -4.820 1.00 0.00 C ATOM 670 ND1 HIS A 43 77.127 -15.230 -4.592 1.00 0.00 N ATOM 671 CD2 HIS A 43 77.071 -13.264 -5.530 1.00 0.00 C ATOM 672 CE1 HIS A 43 78.308 -15.024 -5.140 1.00 0.00 C ATOM 673 NE2 HIS A 43 78.301 -13.839 -5.714 1.00 0.00 N ATOM 0 H HIS A 43 76.133 -11.816 -3.606 1.00 0.00 H new ATOM 0 HA HIS A 43 73.579 -13.138 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 43 74.531 -15.065 -4.169 1.00 0.00 H new ATOM 0 HB3 HIS A 43 74.289 -13.640 -5.159 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.759 -12.293 -5.886 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.141 -15.711 -5.121 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.084 -13.418 -6.214 1.00 0.00 H new ATOM 682 N SER A 44 74.570 -13.706 -0.727 1.00 0.00 N ATOM 683 CA SER A 44 75.046 -14.201 0.552 1.00 0.00 C ATOM 684 C SER A 44 73.856 -14.505 1.452 1.00 0.00 C ATOM 685 O SER A 44 72.707 -14.325 1.051 1.00 0.00 O ATOM 686 CB SER A 44 75.968 -13.156 1.202 1.00 0.00 C ATOM 687 OG SER A 44 76.437 -13.574 2.478 1.00 0.00 O ATOM 0 H SER A 44 73.676 -13.217 -0.679 1.00 0.00 H new ATOM 0 HA SER A 44 75.616 -15.118 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.819 -12.968 0.548 1.00 0.00 H new ATOM 0 HB3 SER A 44 75.430 -12.213 1.305 1.00 0.00 H new ATOM 0 HG SER A 44 77.020 -12.882 2.855 1.00 0.00 H new ATOM 693 N ALA A 45 74.130 -14.958 2.663 1.00 0.00 N ATOM 694 CA ALA A 45 73.082 -15.267 3.613 1.00 0.00 C ATOM 695 C ALA A 45 73.300 -14.440 4.866 1.00 0.00 C ATOM 696 O ALA A 45 72.573 -14.557 5.851 1.00 0.00 O ATOM 697 CB ALA A 45 73.074 -16.752 3.938 1.00 0.00 C ATOM 0 H ALA A 45 75.075 -15.120 3.010 1.00 0.00 H new ATOM 0 HA ALA A 45 72.112 -15.021 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 45 72.279 -16.964 4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.902 -17.323 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 45 74.035 -17.035 4.368 1.00 0.00 H new ATOM 703 N THR A 46 74.303 -13.582 4.800 1.00 0.00 N ATOM 704 CA THR A 46 74.684 -12.760 5.931 1.00 0.00 C ATOM 705 C THR A 46 74.580 -11.270 5.582 1.00 0.00 C ATOM 706 O THR A 46 74.266 -10.440 6.432 1.00 0.00 O ATOM 707 CB THR A 46 76.115 -13.118 6.368 1.00 0.00 C ATOM 708 OG1 THR A 46 76.234 -14.545 6.469 1.00 0.00 O ATOM 709 CG2 THR A 46 76.448 -12.493 7.706 1.00 0.00 C ATOM 0 H THR A 46 74.872 -13.437 3.966 1.00 0.00 H new ATOM 0 HA THR A 46 74.000 -12.956 6.757 1.00 0.00 H new ATOM 0 HB THR A 46 76.811 -12.731 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.145 -14.779 6.746 1.00 0.00 H new ATOM 0 HG21 THR A 46 77.465 -12.763 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 46 76.367 -11.409 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 46 75.752 -12.857 8.461 1.00 0.00 H new ATOM 717 N TYR A 47 74.807 -10.961 4.310 1.00 0.00 N ATOM 718 CA TYR A 47 74.724 -9.597 3.788 1.00 0.00 C ATOM 719 C TYR A 47 74.266 -9.694 2.343 1.00 0.00 C ATOM 720 O TYR A 47 74.969 -10.255 1.504 1.00 0.00 O ATOM 721 CB TYR A 47 76.074 -8.859 3.841 1.00 0.00 C ATOM 722 CG TYR A 47 76.743 -8.827 5.199 1.00 0.00 C ATOM 723 CD1 TYR A 47 76.307 -7.958 6.190 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.816 -9.661 5.484 1.00 0.00 C ATOM 725 CE1 TYR A 47 76.922 -7.922 7.427 1.00 0.00 C ATOM 726 CE2 TYR A 47 78.436 -9.631 6.717 1.00 0.00 C ATOM 727 CZ TYR A 47 77.986 -8.762 7.685 1.00 0.00 C ATOM 728 OH TYR A 47 78.602 -8.733 8.918 1.00 0.00 O ATOM 0 H TYR A 47 75.056 -11.654 3.604 1.00 0.00 H new ATOM 0 HA TYR A 47 74.028 -9.028 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.754 -9.329 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 47 75.922 -7.833 3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 47 75.474 -7.300 5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 47 78.172 -10.345 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 47 76.572 -7.240 8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 47 79.270 -10.286 6.921 1.00 0.00 H new ATOM 0 HH TYR A 47 79.332 -9.387 8.935 1.00 0.00 H new ATOM 738 N ASP A 48 73.097 -9.167 2.059 1.00 0.00 N ATOM 739 CA ASP A 48 72.449 -9.420 0.782 1.00 0.00 C ATOM 740 C ASP A 48 72.560 -8.213 -0.148 1.00 0.00 C ATOM 741 O ASP A 48 72.355 -8.329 -1.357 1.00 0.00 O ATOM 742 CB ASP A 48 70.976 -9.792 1.012 1.00 0.00 C ATOM 743 CG ASP A 48 70.802 -11.049 1.858 1.00 0.00 C ATOM 744 OD1 ASP A 48 71.297 -11.079 3.009 1.00 0.00 O ATOM 745 OD2 ASP A 48 70.137 -12.001 1.398 1.00 0.00 O ATOM 0 H ASP A 48 72.572 -8.561 2.690 1.00 0.00 H new ATOM 0 HA ASP A 48 72.958 -10.254 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.469 -8.960 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.490 -9.940 0.048 1.00 0.00 H new ATOM 750 N TYR A 49 72.889 -7.052 0.412 1.00 0.00 N ATOM 751 CA TYR A 49 73.007 -5.829 -0.380 1.00 0.00 C ATOM 752 C TYR A 49 74.130 -4.944 0.137 1.00 0.00 C ATOM 753 O TYR A 49 74.481 -4.991 1.317 1.00 0.00 O ATOM 754 CB TYR A 49 71.697 -5.036 -0.363 1.00 0.00 C ATOM 755 CG TYR A 49 70.528 -5.784 -0.954 1.00 0.00 C ATOM 756 CD1 TYR A 49 70.246 -5.707 -2.310 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.717 -6.574 -0.156 1.00 0.00 C ATOM 758 CE1 TYR A 49 69.185 -6.400 -2.857 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.652 -7.270 -0.694 1.00 0.00 C ATOM 760 CZ TYR A 49 68.390 -7.179 -2.045 1.00 0.00 C ATOM 761 OH TYR A 49 67.334 -7.876 -2.588 1.00 0.00 O ATOM 0 H TYR A 49 73.078 -6.931 1.407 1.00 0.00 H new ATOM 0 HA TYR A 49 73.233 -6.131 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.460 -4.764 0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.838 -4.106 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.866 -5.095 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.920 -6.647 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.979 -6.332 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 49 68.028 -7.882 -0.060 1.00 0.00 H new ATOM 0 HH TYR A 49 66.875 -8.377 -1.882 1.00 0.00 H new ATOM 771 N ALA A 50 74.689 -4.141 -0.755 1.00 0.00 N ATOM 772 CA ALA A 50 75.687 -3.158 -0.378 1.00 0.00 C ATOM 773 C ALA A 50 75.093 -1.765 -0.500 1.00 0.00 C ATOM 774 O ALA A 50 74.684 -1.346 -1.587 1.00 0.00 O ATOM 775 CB ALA A 50 76.928 -3.295 -1.244 1.00 0.00 C ATOM 0 H ALA A 50 74.465 -4.153 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 50 75.985 -3.328 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.664 -2.549 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.351 -4.292 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.661 -3.143 -2.290 1.00 0.00 H new ATOM 781 N VAL A 51 75.025 -1.062 0.614 1.00 0.00 N ATOM 782 CA VAL A 51 74.377 0.238 0.657 1.00 0.00 C ATOM 783 C VAL A 51 75.393 1.351 0.893 1.00 0.00 C ATOM 784 O VAL A 51 76.260 1.236 1.757 1.00 0.00 O ATOM 785 CB VAL A 51 73.296 0.275 1.765 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.609 1.630 1.819 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.273 -0.830 1.547 1.00 0.00 C ATOM 0 H VAL A 51 75.412 -1.370 1.506 1.00 0.00 H new ATOM 0 HA VAL A 51 73.901 0.400 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 51 73.791 0.111 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.855 1.625 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.347 2.404 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.131 1.834 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.520 -0.790 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.792 -0.695 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.773 -1.798 1.572 1.00 0.00 H new ATOM 797 N SER A 52 75.295 2.414 0.107 1.00 0.00 N ATOM 798 CA SER A 52 76.136 3.578 0.308 1.00 0.00 C ATOM 799 C SER A 52 75.376 4.615 1.124 1.00 0.00 C ATOM 800 O SER A 52 74.435 5.241 0.626 1.00 0.00 O ATOM 801 CB SER A 52 76.581 4.168 -1.033 1.00 0.00 C ATOM 802 OG SER A 52 75.467 4.554 -1.820 1.00 0.00 O ATOM 0 H SER A 52 74.642 2.491 -0.673 1.00 0.00 H new ATOM 0 HA SER A 52 77.032 3.278 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 52 77.222 5.032 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.176 3.434 -1.576 1.00 0.00 H new ATOM 0 HG SER A 52 74.756 4.894 -1.237 1.00 0.00 H new ATOM 808 N ASP A 53 75.771 4.767 2.377 1.00 0.00 N ATOM 809 CA ASP A 53 75.095 5.672 3.291 1.00 0.00 C ATOM 810 C ASP A 53 75.354 7.115 2.884 1.00 0.00 C ATOM 811 O ASP A 53 76.425 7.432 2.362 1.00 0.00 O ATOM 812 CB ASP A 53 75.568 5.444 4.732 1.00 0.00 C ATOM 813 CG ASP A 53 75.396 4.008 5.188 1.00 0.00 C ATOM 814 OD1 ASP A 53 74.249 3.527 5.216 1.00 0.00 O ATOM 815 OD2 ASP A 53 76.414 3.366 5.537 1.00 0.00 O ATOM 0 H ASP A 53 76.563 4.271 2.787 1.00 0.00 H new ATOM 0 HA ASP A 53 74.025 5.471 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.619 5.722 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.012 6.101 5.400 1.00 0.00 H new ATOM 820 N GLU A 54 74.383 7.988 3.147 1.00 0.00 N ATOM 821 CA GLU A 54 74.477 9.399 2.765 1.00 0.00 C ATOM 822 C GLU A 54 75.711 10.068 3.374 1.00 0.00 C ATOM 823 O GLU A 54 76.173 11.104 2.889 1.00 0.00 O ATOM 824 CB GLU A 54 73.217 10.147 3.203 1.00 0.00 C ATOM 825 CG GLU A 54 73.012 10.163 4.707 1.00 0.00 C ATOM 826 CD GLU A 54 71.816 10.986 5.124 1.00 0.00 C ATOM 827 OE1 GLU A 54 71.685 12.131 4.655 1.00 0.00 O ATOM 828 OE2 GLU A 54 71.006 10.498 5.941 1.00 0.00 O ATOM 0 H GLU A 54 73.517 7.742 3.626 1.00 0.00 H new ATOM 0 HA GLU A 54 74.571 9.441 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.270 11.174 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.349 9.687 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 54 72.886 9.141 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.906 10.560 5.187 1.00 0.00 H new ATOM 835 N THR A 55 76.236 9.465 4.432 1.00 0.00 N ATOM 836 CA THR A 55 77.411 9.977 5.124 1.00 0.00 C ATOM 837 C THR A 55 78.678 9.809 4.274 1.00 0.00 C ATOM 838 O THR A 55 79.693 10.469 4.513 1.00 0.00 O ATOM 839 CB THR A 55 77.587 9.263 6.487 1.00 0.00 C ATOM 840 OG1 THR A 55 78.767 9.720 7.158 1.00 0.00 O ATOM 841 CG2 THR A 55 77.655 7.756 6.306 1.00 0.00 C ATOM 0 H THR A 55 75.859 8.607 4.835 1.00 0.00 H new ATOM 0 HA THR A 55 77.258 11.042 5.296 1.00 0.00 H new ATOM 0 HB THR A 55 76.718 9.507 7.098 1.00 0.00 H new ATOM 0 HG1 THR A 55 79.439 9.983 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.779 7.278 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 55 76.734 7.403 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 55 78.502 7.504 5.667 1.00 0.00 H new ATOM 849 N GLY A 56 78.613 8.940 3.273 1.00 0.00 N ATOM 850 CA GLY A 56 79.764 8.703 2.424 1.00 0.00 C ATOM 851 C GLY A 56 80.407 7.361 2.694 1.00 0.00 C ATOM 852 O GLY A 56 81.470 7.052 2.159 1.00 0.00 O ATOM 0 H GLY A 56 77.784 8.396 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.459 8.754 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.498 9.494 2.581 1.00 0.00 H new ATOM 856 N ASP A 57 79.762 6.564 3.528 1.00 0.00 N ATOM 857 CA ASP A 57 80.269 5.243 3.871 1.00 0.00 C ATOM 858 C ASP A 57 79.542 4.177 3.068 1.00 0.00 C ATOM 859 O ASP A 57 78.465 4.424 2.531 1.00 0.00 O ATOM 860 CB ASP A 57 80.105 4.970 5.370 1.00 0.00 C ATOM 861 CG ASP A 57 81.040 5.799 6.228 1.00 0.00 C ATOM 862 OD1 ASP A 57 80.657 6.918 6.636 1.00 0.00 O ATOM 863 OD2 ASP A 57 82.161 5.332 6.515 1.00 0.00 O ATOM 0 H ASP A 57 78.882 6.808 3.983 1.00 0.00 H new ATOM 0 HA ASP A 57 81.331 5.211 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 57 79.075 5.176 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.285 3.912 5.563 1.00 0.00 H new ATOM 868 N ILE A 58 80.138 3.003 2.975 1.00 0.00 N ATOM 869 CA ILE A 58 79.519 1.886 2.279 1.00 0.00 C ATOM 870 C ILE A 58 79.390 0.707 3.229 1.00 0.00 C ATOM 871 O ILE A 58 80.391 0.154 3.680 1.00 0.00 O ATOM 872 CB ILE A 58 80.332 1.464 1.035 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.449 2.632 0.050 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.685 0.261 0.361 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.281 2.320 -1.176 1.00 0.00 C ATOM 0 H ILE A 58 81.054 2.796 3.374 1.00 0.00 H new ATOM 0 HA ILE A 58 78.534 2.205 1.940 1.00 0.00 H new ATOM 0 HB ILE A 58 81.335 1.182 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.449 2.928 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 58 80.886 3.487 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.270 -0.024 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.650 -0.573 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.672 0.518 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.316 3.196 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.293 2.053 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.834 1.486 -1.717 1.00 0.00 H new ATOM 887 N THR A 59 78.164 0.331 3.539 1.00 0.00 N ATOM 888 CA THR A 59 77.926 -0.720 4.505 1.00 0.00 C ATOM 889 C THR A 59 77.066 -1.827 3.896 1.00 0.00 C ATOM 890 O THR A 59 76.168 -1.562 3.095 1.00 0.00 O ATOM 891 CB THR A 59 77.240 -0.150 5.763 1.00 0.00 C ATOM 892 OG1 THR A 59 77.843 1.105 6.122 1.00 0.00 O ATOM 893 CG2 THR A 59 77.360 -1.119 6.930 1.00 0.00 C ATOM 0 H THR A 59 77.320 0.738 3.136 1.00 0.00 H new ATOM 0 HA THR A 59 78.889 -1.144 4.791 1.00 0.00 H new ATOM 0 HB THR A 59 76.184 -0.000 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 59 77.247 1.839 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.869 -0.696 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.884 -2.064 6.669 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.413 -1.292 7.152 1.00 0.00 H new ATOM 901 N TYR A 60 77.363 -3.068 4.254 1.00 0.00 N ATOM 902 CA TYR A 60 76.608 -4.207 3.752 1.00 0.00 C ATOM 903 C TYR A 60 75.436 -4.497 4.680 1.00 0.00 C ATOM 904 O TYR A 60 75.569 -4.408 5.900 1.00 0.00 O ATOM 905 CB TYR A 60 77.504 -5.446 3.637 1.00 0.00 C ATOM 906 CG TYR A 60 78.589 -5.360 2.578 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.873 -4.170 1.920 1.00 0.00 C ATOM 908 CD2 TYR A 60 79.328 -6.485 2.237 1.00 0.00 C ATOM 909 CE1 TYR A 60 79.857 -4.104 0.954 1.00 0.00 C ATOM 910 CE2 TYR A 60 80.317 -6.427 1.273 1.00 0.00 C ATOM 911 CZ TYR A 60 80.577 -5.234 0.635 1.00 0.00 C ATOM 912 OH TYR A 60 81.560 -5.169 -0.331 1.00 0.00 O ATOM 0 H TYR A 60 78.122 -3.312 4.891 1.00 0.00 H new ATOM 0 HA TYR A 60 76.231 -3.963 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.975 -5.626 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 60 76.876 -6.311 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.314 -3.280 2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.126 -7.422 2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.061 -3.171 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 60 80.883 -7.312 1.021 1.00 0.00 H new ATOM 0 HH TYR A 60 81.974 -6.051 -0.436 1.00 0.00 H new ATOM 922 N PHE A 61 74.292 -4.847 4.104 1.00 0.00 N ATOM 923 CA PHE A 61 73.083 -5.079 4.885 1.00 0.00 C ATOM 924 C PHE A 61 72.286 -6.223 4.288 1.00 0.00 C ATOM 925 O PHE A 61 72.645 -6.760 3.240 1.00 0.00 O ATOM 926 CB PHE A 61 72.208 -3.820 4.938 1.00 0.00 C ATOM 927 CG PHE A 61 72.826 -2.671 5.683 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.902 -2.685 7.065 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.326 -1.576 4.998 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.465 -1.627 7.751 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.888 -0.515 5.678 1.00 0.00 C ATOM 932 CZ PHE A 61 73.957 -0.540 7.059 1.00 0.00 C ATOM 0 H PHE A 61 74.176 -4.976 3.099 1.00 0.00 H new ATOM 0 HA PHE A 61 73.386 -5.335 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.988 -3.501 3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.256 -4.072 5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.517 -3.532 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.275 -1.552 3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.520 -1.651 8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.273 0.334 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.395 0.289 7.594 1.00 0.00 H new ATOM 942 N LYS A 62 71.209 -6.596 4.953 1.00 0.00 N ATOM 943 CA LYS A 62 70.350 -7.654 4.466 1.00 0.00 C ATOM 944 C LYS A 62 68.984 -7.086 4.084 1.00 0.00 C ATOM 945 O LYS A 62 68.567 -6.050 4.599 1.00 0.00 O ATOM 946 CB LYS A 62 70.199 -8.737 5.538 1.00 0.00 C ATOM 947 CG LYS A 62 69.432 -9.957 5.067 1.00 0.00 C ATOM 948 CD LYS A 62 69.185 -10.939 6.196 1.00 0.00 C ATOM 949 CE LYS A 62 70.443 -11.718 6.525 1.00 0.00 C ATOM 950 NZ LYS A 62 70.968 -12.418 5.326 1.00 0.00 N ATOM 0 H LYS A 62 70.909 -6.179 5.834 1.00 0.00 H new ATOM 0 HA LYS A 62 70.800 -8.100 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 62 71.190 -9.047 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 62 69.691 -8.311 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 62 68.478 -9.645 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 62 69.989 -10.451 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 62 68.844 -10.402 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 62 68.389 -11.629 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 62 71.202 -11.040 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 62 70.230 -12.444 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 71.650 -13.146 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 70.182 -12.867 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 71.440 -11.732 4.703 1.00 0.00 H new ATOM 964 N GLU A 63 68.293 -7.780 3.184 1.00 0.00 N ATOM 965 CA GLU A 63 66.957 -7.386 2.730 1.00 0.00 C ATOM 966 C GLU A 63 65.967 -7.288 3.896 1.00 0.00 C ATOM 967 O GLU A 63 64.925 -6.636 3.789 1.00 0.00 O ATOM 968 CB GLU A 63 66.448 -8.408 1.709 1.00 0.00 C ATOM 969 CG GLU A 63 66.607 -9.846 2.178 1.00 0.00 C ATOM 970 CD GLU A 63 66.052 -10.861 1.203 1.00 0.00 C ATOM 971 OE1 GLU A 63 66.603 -10.994 0.093 1.00 0.00 O ATOM 972 OE2 GLU A 63 65.078 -11.553 1.561 1.00 0.00 O ATOM 0 H GLU A 63 68.642 -8.633 2.747 1.00 0.00 H new ATOM 0 HA GLU A 63 67.032 -6.399 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.396 -8.213 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.987 -8.276 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 63 67.665 -10.052 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.106 -9.964 3.139 1.00 0.00 H new ATOM 979 N HIS A 64 66.310 -7.935 5.001 1.00 0.00 N ATOM 980 CA HIS A 64 65.455 -7.989 6.182 1.00 0.00 C ATOM 981 C HIS A 64 65.475 -6.662 6.951 1.00 0.00 C ATOM 982 O HIS A 64 64.513 -6.332 7.644 1.00 0.00 O ATOM 983 CB HIS A 64 65.903 -9.157 7.081 1.00 0.00 C ATOM 984 CG HIS A 64 65.316 -9.153 8.464 1.00 0.00 C ATOM 985 ND1 HIS A 64 66.030 -8.758 9.570 1.00 0.00 N ATOM 986 CD2 HIS A 64 64.089 -9.501 8.915 1.00 0.00 C ATOM 987 CE1 HIS A 64 65.273 -8.862 10.643 1.00 0.00 C ATOM 988 NE2 HIS A 64 64.089 -9.309 10.274 1.00 0.00 N ATOM 0 H HIS A 64 67.191 -8.439 5.106 1.00 0.00 H new ATOM 0 HA HIS A 64 64.426 -8.155 5.863 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.638 -10.095 6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 64 66.990 -9.137 7.163 1.00 0.00 H new ATOM 0 HD1 HIS A 64 66.997 -8.434 9.561 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.265 -9.862 8.318 1.00 0.00 H new ATOM 0 HE1 HIS A 64 65.571 -8.622 11.653 1.00 0.00 H new ATOM 997 N GLU A 65 66.554 -5.898 6.825 1.00 0.00 N ATOM 998 CA GLU A 65 66.677 -4.645 7.568 1.00 0.00 C ATOM 999 C GLU A 65 66.622 -3.441 6.630 1.00 0.00 C ATOM 1000 O GLU A 65 67.203 -2.394 6.919 1.00 0.00 O ATOM 1001 CB GLU A 65 67.984 -4.600 8.375 1.00 0.00 C ATOM 1002 CG GLU A 65 68.222 -5.807 9.269 1.00 0.00 C ATOM 1003 CD GLU A 65 68.872 -6.959 8.536 1.00 0.00 C ATOM 1004 OE1 GLU A 65 69.815 -6.711 7.763 1.00 0.00 O ATOM 1005 OE2 GLU A 65 68.445 -8.116 8.746 1.00 0.00 O ATOM 0 H GLU A 65 67.348 -6.118 6.224 1.00 0.00 H new ATOM 0 HA GLU A 65 65.834 -4.599 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 65 68.820 -4.508 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 65 67.983 -3.702 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 65 68.853 -5.513 10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 65 67.271 -6.138 9.686 1.00 0.00 H new ATOM 1012 N LEU A 66 65.896 -3.573 5.528 1.00 0.00 N ATOM 1013 CA LEU A 66 65.831 -2.512 4.530 1.00 0.00 C ATOM 1014 C LEU A 66 64.400 -2.039 4.309 1.00 0.00 C ATOM 1015 O LEU A 66 63.526 -2.826 3.945 1.00 0.00 O ATOM 1016 CB LEU A 66 66.419 -2.988 3.196 1.00 0.00 C ATOM 1017 CG LEU A 66 67.907 -3.343 3.220 1.00 0.00 C ATOM 1018 CD1 LEU A 66 68.354 -3.819 1.847 1.00 0.00 C ATOM 1019 CD2 LEU A 66 68.740 -2.150 3.666 1.00 0.00 C ATOM 0 H LEU A 66 65.345 -4.401 5.302 1.00 0.00 H new ATOM 0 HA LEU A 66 66.419 -1.676 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 66 65.860 -3.863 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.262 -2.208 2.451 1.00 0.00 H new ATOM 0 HG LEU A 66 68.058 -4.149 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 66 69.415 -4.069 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 66 67.781 -4.702 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.187 -3.028 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 66 69.795 -2.426 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 66 68.588 -1.321 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.435 -1.847 4.668 1.00 0.00 H new ATOM 1031 N THR A 67 64.167 -0.758 4.544 1.00 0.00 N ATOM 1032 CA THR A 67 62.894 -0.136 4.215 1.00 0.00 C ATOM 1033 C THR A 67 63.133 1.074 3.309 1.00 0.00 C ATOM 1034 O THR A 67 63.686 2.082 3.748 1.00 0.00 O ATOM 1035 CB THR A 67 62.136 0.306 5.485 1.00 0.00 C ATOM 1036 OG1 THR A 67 61.972 -0.809 6.372 1.00 0.00 O ATOM 1037 CG2 THR A 67 60.770 0.880 5.140 1.00 0.00 C ATOM 0 H THR A 67 64.847 -0.125 4.964 1.00 0.00 H new ATOM 0 HA THR A 67 62.281 -0.873 3.696 1.00 0.00 H new ATOM 0 HB THR A 67 62.726 1.082 5.973 1.00 0.00 H new ATOM 0 HG1 THR A 67 61.492 -0.520 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.261 1.182 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 67 60.893 1.746 4.490 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.176 0.123 4.627 1.00 0.00 H new ATOM 1045 N PRO A 68 62.753 0.973 2.023 1.00 0.00 N ATOM 1046 CA PRO A 68 62.982 2.039 1.039 1.00 0.00 C ATOM 1047 C PRO A 68 62.225 3.321 1.368 1.00 0.00 C ATOM 1048 O PRO A 68 61.105 3.284 1.884 1.00 0.00 O ATOM 1049 CB PRO A 68 62.474 1.438 -0.276 1.00 0.00 C ATOM 1050 CG PRO A 68 61.539 0.353 0.128 1.00 0.00 C ATOM 1051 CD PRO A 68 62.071 -0.189 1.426 1.00 0.00 C ATOM 0 HA PRO A 68 64.031 2.334 1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.968 2.189 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.297 1.047 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.526 0.736 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 68 61.495 -0.427 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.270 -0.558 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.758 -1.019 1.264 1.00 0.00 H new ATOM 1059 N LEU A 69 62.846 4.453 1.062 1.00 0.00 N ATOM 1060 CA LEU A 69 62.239 5.754 1.294 1.00 0.00 C ATOM 1061 C LEU A 69 61.054 5.966 0.365 1.00 0.00 C ATOM 1062 O LEU A 69 61.213 6.078 -0.851 1.00 0.00 O ATOM 1063 CB LEU A 69 63.268 6.871 1.097 1.00 0.00 C ATOM 1064 CG LEU A 69 64.334 6.972 2.187 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.384 8.006 1.812 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.685 7.333 3.515 1.00 0.00 C ATOM 0 H LEU A 69 63.778 4.494 0.649 1.00 0.00 H new ATOM 0 HA LEU A 69 61.884 5.784 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.764 6.721 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.740 7.823 1.037 1.00 0.00 H new ATOM 0 HG LEU A 69 64.827 6.005 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.135 8.064 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.862 7.716 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.909 8.980 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.451 7.403 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.175 8.292 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.964 6.563 3.789 1.00 0.00 H new ATOM 1078 N LYS A 70 59.868 5.991 0.940 1.00 0.00 N ATOM 1079 CA LYS A 70 58.658 6.215 0.174 1.00 0.00 C ATOM 1080 C LYS A 70 58.192 7.659 0.326 1.00 0.00 C ATOM 1081 O LYS A 70 57.676 8.059 1.369 1.00 0.00 O ATOM 1082 CB LYS A 70 57.566 5.226 0.596 1.00 0.00 C ATOM 1083 CG LYS A 70 57.375 5.125 2.101 1.00 0.00 C ATOM 1084 CD LYS A 70 56.412 4.011 2.469 1.00 0.00 C ATOM 1085 CE LYS A 70 56.275 3.870 3.974 1.00 0.00 C ATOM 1086 NZ LYS A 70 55.326 2.788 4.342 1.00 0.00 N ATOM 0 H LYS A 70 59.716 5.858 1.940 1.00 0.00 H new ATOM 0 HA LYS A 70 58.872 6.043 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 70 56.623 5.525 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 70 57.812 4.239 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 70 58.338 4.947 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 70 56.999 6.073 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 70 55.435 4.214 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 70 56.763 3.070 2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 70 57.252 3.661 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 70 55.932 4.814 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 55.259 2.722 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 54.388 3.000 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 55.666 1.883 3.959 1.00 0.00 H new ATOM 1100 N GLY A 71 58.407 8.441 -0.720 1.00 0.00 N ATOM 1101 CA GLY A 71 58.033 9.839 -0.691 1.00 0.00 C ATOM 1102 C GLY A 71 58.009 10.457 -2.072 1.00 0.00 C ATOM 1103 O GLY A 71 57.265 11.402 -2.323 1.00 0.00 O ATOM 0 H GLY A 71 58.836 8.131 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 71 57.049 9.940 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 71 58.735 10.387 -0.062 1.00 0.00 H new ATOM 1107 N GLY A 72 58.809 9.915 -2.978 1.00 0.00 N ATOM 1108 CA GLY A 72 58.869 10.451 -4.322 1.00 0.00 C ATOM 1109 C GLY A 72 58.216 9.527 -5.328 1.00 0.00 C ATOM 1110 O GLY A 72 58.480 9.614 -6.523 1.00 0.00 O ATOM 0 H GLY A 72 59.417 9.114 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 72 58.376 11.423 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 72 59.910 10.615 -4.601 1.00 0.00 H new ATOM 1114 N LEU A 73 57.358 8.640 -4.838 1.00 0.00 N ATOM 1115 CA LEU A 73 56.680 7.678 -5.697 1.00 0.00 C ATOM 1116 C LEU A 73 55.516 8.356 -6.416 1.00 0.00 C ATOM 1117 O LEU A 73 55.562 8.572 -7.625 1.00 0.00 O ATOM 1118 CB LEU A 73 56.190 6.484 -4.857 1.00 0.00 C ATOM 1119 CG LEU A 73 55.901 5.184 -5.625 1.00 0.00 C ATOM 1120 CD1 LEU A 73 55.752 4.026 -4.653 1.00 0.00 C ATOM 1121 CD2 LEU A 73 54.644 5.309 -6.475 1.00 0.00 C ATOM 0 H LEU A 73 57.116 8.567 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 73 57.376 7.306 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 73 56.939 6.272 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 55.281 6.783 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 73 56.743 4.995 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 55.547 3.110 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 73 56.674 3.908 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 73 54.927 4.228 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 73 54.468 4.373 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 73 53.791 5.528 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 73 54.772 6.116 -7.197 1.00 0.00 H new ATOM 1133 N ALA A 74 54.488 8.715 -5.655 1.00 0.00 N ATOM 1134 CA ALA A 74 53.296 9.343 -6.212 1.00 0.00 C ATOM 1135 C ALA A 74 53.358 10.857 -6.051 1.00 0.00 C ATOM 1136 O ALA A 74 52.337 11.540 -6.085 1.00 0.00 O ATOM 1137 CB ALA A 74 52.049 8.785 -5.538 1.00 0.00 C ATOM 0 H ALA A 74 54.457 8.581 -4.644 1.00 0.00 H new ATOM 0 HA ALA A 74 53.251 9.118 -7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 74 51.164 9.260 -5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 74 51.997 7.709 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 74 52.093 8.986 -4.468 1.00 0.00 H new ATOM 1143 N TYR A 75 54.570 11.374 -5.885 1.00 0.00 N ATOM 1144 CA TYR A 75 54.772 12.805 -5.707 1.00 0.00 C ATOM 1145 C TYR A 75 54.887 13.499 -7.060 1.00 0.00 C ATOM 1146 O TYR A 75 54.494 14.654 -7.217 1.00 0.00 O ATOM 1147 CB TYR A 75 56.029 13.067 -4.866 1.00 0.00 C ATOM 1148 CG TYR A 75 56.359 14.532 -4.690 1.00 0.00 C ATOM 1149 CD1 TYR A 75 55.683 15.315 -3.761 1.00 0.00 C ATOM 1150 CD2 TYR A 75 57.348 15.136 -5.458 1.00 0.00 C ATOM 1151 CE1 TYR A 75 55.981 16.655 -3.602 1.00 0.00 C ATOM 1152 CE2 TYR A 75 57.653 16.475 -5.306 1.00 0.00 C ATOM 1153 CZ TYR A 75 56.967 17.231 -4.377 1.00 0.00 C ATOM 1154 OH TYR A 75 57.268 18.566 -4.225 1.00 0.00 O ATOM 0 H TYR A 75 55.428 10.822 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 75 53.909 13.213 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 75 55.896 12.615 -3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 75 56.877 12.568 -5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 75 54.911 14.868 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 75 57.887 14.548 -6.186 1.00 0.00 H new ATOM 0 HE1 TYR A 75 55.445 17.248 -2.875 1.00 0.00 H new ATOM 0 HE2 TYR A 75 58.424 16.928 -5.911 1.00 0.00 H new ATOM 0 HH TYR A 75 57.986 18.812 -4.845 1.00 0.00 H new ATOM 1164 N VAL A 76 55.417 12.785 -8.039 1.00 0.00 N ATOM 1165 CA VAL A 76 55.625 13.354 -9.356 1.00 0.00 C ATOM 1166 C VAL A 76 54.944 12.506 -10.429 1.00 0.00 C ATOM 1167 O VAL A 76 55.121 11.288 -10.489 1.00 0.00 O ATOM 1168 CB VAL A 76 57.135 13.522 -9.663 1.00 0.00 C ATOM 1169 CG1 VAL A 76 57.862 12.182 -9.671 1.00 0.00 C ATOM 1170 CG2 VAL A 76 57.340 14.254 -10.979 1.00 0.00 C ATOM 0 H VAL A 76 55.710 11.812 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 76 55.171 14.345 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 76 57.566 14.123 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 76 58.918 12.342 -9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 76 57.762 11.708 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 76 57.427 11.537 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 76 58.407 14.360 -11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 76 56.879 13.686 -11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 76 56.882 15.241 -10.921 1.00 0.00 H new ATOM 1180 N LEU A 77 54.146 13.156 -11.265 1.00 0.00 N ATOM 1181 CA LEU A 77 53.403 12.466 -12.313 1.00 0.00 C ATOM 1182 C LEU A 77 54.132 12.566 -13.649 1.00 0.00 C ATOM 1183 O LEU A 77 53.532 12.399 -14.709 1.00 0.00 O ATOM 1184 CB LEU A 77 51.986 13.043 -12.447 1.00 0.00 C ATOM 1185 CG LEU A 77 50.984 12.639 -11.352 1.00 0.00 C ATOM 1186 CD1 LEU A 77 51.329 13.286 -10.020 1.00 0.00 C ATOM 1187 CD2 LEU A 77 49.572 13.007 -11.774 1.00 0.00 C ATOM 0 H LEU A 77 53.996 14.164 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 77 53.328 11.415 -12.032 1.00 0.00 H new ATOM 0 HB2 LEU A 77 52.058 14.130 -12.461 1.00 0.00 H new ATOM 0 HB3 LEU A 77 51.581 12.738 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 77 51.044 11.559 -11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 77 50.602 12.980 -9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 77 52.326 12.972 -9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 77 51.307 14.371 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 77 48.871 12.716 -10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 77 49.509 14.083 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 77 49.321 12.486 -12.698 1.00 0.00 H new ATOM 1199 N GLU A 78 55.429 12.834 -13.591 1.00 0.00 N ATOM 1200 CA GLU A 78 56.245 12.931 -14.793 1.00 0.00 C ATOM 1201 C GLU A 78 56.401 11.559 -15.435 1.00 0.00 C ATOM 1202 O GLU A 78 57.053 10.678 -14.875 1.00 0.00 O ATOM 1203 CB GLU A 78 57.624 13.506 -14.461 1.00 0.00 C ATOM 1204 CG GLU A 78 58.507 13.712 -15.683 1.00 0.00 C ATOM 1205 CD GLU A 78 59.931 14.071 -15.319 1.00 0.00 C ATOM 1206 OE1 GLU A 78 60.170 15.222 -14.897 1.00 0.00 O ATOM 1207 OE2 GLU A 78 60.822 13.208 -15.464 1.00 0.00 O ATOM 0 H GLU A 78 55.940 12.988 -12.722 1.00 0.00 H new ATOM 0 HA GLU A 78 55.745 13.599 -15.494 1.00 0.00 H new ATOM 0 HB2 GLU A 78 57.497 14.460 -13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 78 58.130 12.836 -13.766 1.00 0.00 H new ATOM 0 HG2 GLU A 78 58.508 12.802 -16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 78 58.084 14.503 -16.303 1.00 0.00 H new ATOM 1214 N HIS A 79 55.782 11.374 -16.596 1.00 0.00 N ATOM 1215 CA HIS A 79 55.891 10.118 -17.329 1.00 0.00 C ATOM 1216 C HIS A 79 57.349 9.832 -17.682 1.00 0.00 C ATOM 1217 O HIS A 79 57.983 10.574 -18.436 1.00 0.00 O ATOM 1218 CB HIS A 79 54.999 10.121 -18.586 1.00 0.00 C ATOM 1219 CG HIS A 79 55.266 11.230 -19.567 1.00 0.00 C ATOM 1220 ND1 HIS A 79 54.801 12.513 -19.398 1.00 0.00 N ATOM 1221 CD2 HIS A 79 55.927 11.228 -20.750 1.00 0.00 C ATOM 1222 CE1 HIS A 79 55.162 13.250 -20.429 1.00 0.00 C ATOM 1223 NE2 HIS A 79 55.845 12.496 -21.271 1.00 0.00 N ATOM 0 H HIS A 79 55.200 12.078 -17.050 1.00 0.00 H new ATOM 0 HA HIS A 79 55.533 9.316 -16.683 1.00 0.00 H new ATOM 0 HB2 HIS A 79 55.122 9.168 -19.100 1.00 0.00 H new ATOM 0 HB3 HIS A 79 53.957 10.181 -18.271 1.00 0.00 H new ATOM 0 HD2 HIS A 79 56.427 10.383 -21.201 1.00 0.00 H new ATOM 0 HE1 HIS A 79 54.937 14.298 -20.563 1.00 0.00 H new ATOM 0 HE2 HIS A 79 56.244 12.803 -22.158 1.00 0.00 H new ATOM 1232 N HIS A 80 57.886 8.770 -17.103 1.00 0.00 N ATOM 1233 CA HIS A 80 59.296 8.442 -17.267 1.00 0.00 C ATOM 1234 C HIS A 80 59.537 7.571 -18.489 1.00 0.00 C ATOM 1235 O HIS A 80 59.742 6.364 -18.368 1.00 0.00 O ATOM 1236 CB HIS A 80 59.839 7.749 -16.014 1.00 0.00 C ATOM 1237 CG HIS A 80 60.013 8.662 -14.841 1.00 0.00 C ATOM 1238 ND1 HIS A 80 59.215 8.610 -13.724 1.00 0.00 N ATOM 1239 CD2 HIS A 80 60.917 9.643 -14.608 1.00 0.00 C ATOM 1240 CE1 HIS A 80 59.614 9.518 -12.857 1.00 0.00 C ATOM 1241 NE2 HIS A 80 60.649 10.159 -13.365 1.00 0.00 N ATOM 0 H HIS A 80 57.367 8.119 -16.514 1.00 0.00 H new ATOM 0 HA HIS A 80 59.829 9.381 -17.416 1.00 0.00 H new ATOM 0 HB2 HIS A 80 59.162 6.941 -15.736 1.00 0.00 H new ATOM 0 HB3 HIS A 80 60.800 7.292 -16.251 1.00 0.00 H new ATOM 0 HD2 HIS A 80 61.703 9.961 -15.277 1.00 0.00 H new ATOM 0 HE1 HIS A 80 59.168 9.706 -11.891 1.00 0.00 H new ATOM 0 HE2 HIS A 80 61.164 10.913 -12.910 1.00 0.00 H new ATOM 1250 N HIS A 81 59.485 8.201 -19.664 1.00 0.00 N ATOM 1251 CA HIS A 81 59.807 7.543 -20.932 1.00 0.00 C ATOM 1252 C HIS A 81 59.011 6.250 -21.113 1.00 0.00 C ATOM 1253 O HIS A 81 59.526 5.154 -20.886 1.00 0.00 O ATOM 1254 CB HIS A 81 61.311 7.249 -21.024 1.00 0.00 C ATOM 1255 CG HIS A 81 62.180 8.468 -20.943 1.00 0.00 C ATOM 1256 ND1 HIS A 81 62.842 8.994 -22.030 1.00 0.00 N ATOM 1257 CD2 HIS A 81 62.501 9.263 -19.893 1.00 0.00 C ATOM 1258 CE1 HIS A 81 63.530 10.056 -21.656 1.00 0.00 C ATOM 1259 NE2 HIS A 81 63.340 10.243 -20.365 1.00 0.00 N ATOM 0 H HIS A 81 59.219 9.181 -19.764 1.00 0.00 H new ATOM 0 HA HIS A 81 59.528 8.228 -21.733 1.00 0.00 H new ATOM 0 HB2 HIS A 81 61.586 6.566 -20.221 1.00 0.00 H new ATOM 0 HB3 HIS A 81 61.513 6.734 -21.963 1.00 0.00 H new ATOM 0 HD2 HIS A 81 62.160 9.147 -18.875 1.00 0.00 H new ATOM 0 HE1 HIS A 81 64.145 10.668 -22.299 1.00 0.00 H new ATOM 0 HE2 HIS A 81 63.749 10.993 -19.808 1.00 0.00 H new ATOM 1268 N HIS A 82 57.751 6.377 -21.503 1.00 0.00 N ATOM 1269 CA HIS A 82 56.901 5.209 -21.680 1.00 0.00 C ATOM 1270 C HIS A 82 56.063 5.291 -22.945 1.00 0.00 C ATOM 1271 O HIS A 82 55.103 6.055 -23.028 1.00 0.00 O ATOM 1272 CB HIS A 82 55.978 4.998 -20.476 1.00 0.00 C ATOM 1273 CG HIS A 82 56.564 4.130 -19.403 1.00 0.00 C ATOM 1274 ND1 HIS A 82 56.505 2.749 -19.432 1.00 0.00 N ATOM 1275 CD2 HIS A 82 57.212 4.449 -18.258 1.00 0.00 C ATOM 1276 CE1 HIS A 82 57.086 2.264 -18.352 1.00 0.00 C ATOM 1277 NE2 HIS A 82 57.527 3.273 -17.626 1.00 0.00 N ATOM 0 H HIS A 82 57.298 7.269 -21.701 1.00 0.00 H new ATOM 0 HA HIS A 82 57.576 4.358 -21.769 1.00 0.00 H new ATOM 0 HB2 HIS A 82 55.729 5.969 -20.048 1.00 0.00 H new ATOM 0 HB3 HIS A 82 55.045 4.552 -20.820 1.00 0.00 H new ATOM 0 HD1 HIS A 82 56.079 2.192 -20.173 1.00 0.00 H new ATOM 0 HD2 HIS A 82 57.439 5.445 -17.907 1.00 0.00 H new ATOM 0 HE1 HIS A 82 57.184 1.217 -18.104 1.00 0.00 H new ATOM 1286 N HIS A 83 56.466 4.524 -23.940 1.00 0.00 N ATOM 1287 CA HIS A 83 55.600 4.205 -25.060 1.00 0.00 C ATOM 1288 C HIS A 83 55.190 2.748 -24.923 1.00 0.00 C ATOM 1289 O HIS A 83 54.232 2.283 -25.540 1.00 0.00 O ATOM 1290 CB HIS A 83 56.294 4.444 -26.403 1.00 0.00 C ATOM 1291 CG HIS A 83 56.370 5.889 -26.790 1.00 0.00 C ATOM 1292 ND1 HIS A 83 57.555 6.540 -27.062 1.00 0.00 N ATOM 1293 CD2 HIS A 83 55.391 6.808 -26.958 1.00 0.00 C ATOM 1294 CE1 HIS A 83 57.299 7.797 -27.378 1.00 0.00 C ATOM 1295 NE2 HIS A 83 55.996 7.982 -27.323 1.00 0.00 N ATOM 0 H HIS A 83 57.395 4.107 -23.996 1.00 0.00 H new ATOM 0 HA HIS A 83 54.727 4.857 -25.043 1.00 0.00 H new ATOM 0 HB2 HIS A 83 57.303 4.035 -26.359 1.00 0.00 H new ATOM 0 HB3 HIS A 83 55.762 3.896 -27.180 1.00 0.00 H new ATOM 0 HD2 HIS A 83 54.331 6.646 -26.829 1.00 0.00 H new ATOM 0 HE1 HIS A 83 58.033 8.545 -27.637 1.00 0.00 H new ATOM 0 HE2 HIS A 83 55.514 8.859 -27.521 1.00 0.00 H new ATOM 1304 N HIS A 84 55.949 2.038 -24.098 1.00 0.00 N ATOM 1305 CA HIS A 84 55.632 0.672 -23.723 1.00 0.00 C ATOM 1306 C HIS A 84 55.251 0.640 -22.251 1.00 0.00 C ATOM 1307 O HIS A 84 54.053 0.515 -21.948 1.00 0.00 O ATOM 1308 CB HIS A 84 56.826 -0.257 -23.966 1.00 0.00 C ATOM 1309 CG HIS A 84 57.280 -0.315 -25.392 1.00 0.00 C ATOM 1310 ND1 HIS A 84 56.668 -1.092 -26.350 1.00 0.00 N ATOM 1311 CD2 HIS A 84 58.298 0.316 -26.018 1.00 0.00 C ATOM 1312 CE1 HIS A 84 57.293 -0.937 -27.501 1.00 0.00 C ATOM 1313 NE2 HIS A 84 58.285 -0.087 -27.327 1.00 0.00 N ATOM 1314 OXT HIS A 84 56.157 0.788 -21.402 1.00 0.00 O ATOM 0 H HIS A 84 56.803 2.397 -23.671 1.00 0.00 H new ATOM 0 HA HIS A 84 54.801 0.323 -24.336 1.00 0.00 H new ATOM 0 HB2 HIS A 84 57.659 0.071 -23.344 1.00 0.00 H new ATOM 0 HB3 HIS A 84 56.561 -1.263 -23.640 1.00 0.00 H new ATOM 0 HD2 HIS A 84 58.993 1.010 -25.569 1.00 0.00 H new ATOM 0 HE1 HIS A 84 57.035 -1.424 -28.430 1.00 0.00 H new ATOM 0 HE2 HIS A 84 58.937 0.220 -28.049 1.00 0.00 H new TER 1323 HIS A 84