USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 180:sc= 0.0517 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.688 (180deg=-0.796) USER MOD Set 2.1: A 26 THR OG1 : rot 83:sc= 0.295 USER MOD Set 2.2: A 38 THR OG1 : rot -74:sc= 1.83 USER MOD Set 3.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 78 THR OG1 : rot -44:sc= 0.259 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0233 (180deg=-0.286) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0621 (180deg=-0.405) USER MOD Single : A 11 TYR OH : rot -102:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 132:sc= 1.36 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 21 ASN : amide:sc= -0.169 K(o=-0.17,f=-5.6!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00944 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.157 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.05) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.98) USER MOD Single : A 60 THR OG1 : rot 65:sc= 1.56 USER MOD Single : A 62 ASN : amide:sc= -2.53! C(o=-2.5!,f=-5.1!) USER MOD Single : A 69 SER OG : rot 73:sc= 1.15 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= 1.23 (180deg=0.468) USER MOD Single : A 85 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-1.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0.235! (180deg=0.172) USER MOD Single : A 96 MET CE :methyl 169:sc= -0.0249 (180deg=-0.282) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0893 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -1.95 (180deg=-3.88!) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -1.22 (180deg=-3.45!) USER MOD Single : A 400 HEM CMD :methyl 150:sc= -1.89! (180deg=-1.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.140 -13.080 17.893 1.00 1.40 N ATOM 2 CA MET A 1 19.836 -13.475 18.472 1.00 1.19 C ATOM 3 C MET A 1 18.687 -12.922 17.635 1.00 1.07 C ATOM 4 O MET A 1 17.942 -13.677 17.012 1.00 1.47 O ATOM 5 CB MET A 1 19.722 -12.976 19.918 1.00 1.39 C ATOM 6 CG MET A 1 18.406 -13.340 20.590 1.00 1.77 C ATOM 7 SD MET A 1 18.271 -12.674 22.263 1.00 2.23 S ATOM 8 CE MET A 1 19.504 -13.652 23.115 1.00 2.70 C ATOM 0 H1 MET A 1 21.910 -13.466 18.476 1.00 1.40 H new ATOM 0 H2 MET A 1 21.218 -13.454 16.926 1.00 1.40 H new ATOM 0 H3 MET A 1 21.210 -12.043 17.870 1.00 1.40 H new ATOM 0 HA MET A 1 19.775 -14.563 18.469 1.00 1.19 H new ATOM 0 HB2 MET A 1 20.544 -13.390 20.502 1.00 1.39 H new ATOM 0 HB3 MET A 1 19.838 -11.892 19.929 1.00 1.39 H new ATOM 0 HG2 MET A 1 17.579 -12.966 19.987 1.00 1.77 H new ATOM 0 HG3 MET A 1 18.309 -14.425 20.626 1.00 1.77 H new ATOM 0 HE1 MET A 1 19.375 -13.543 24.192 1.00 2.70 H new ATOM 0 HE2 MET A 1 19.390 -14.701 22.840 1.00 2.70 H new ATOM 0 HE3 MET A 1 20.499 -13.309 22.833 1.00 2.70 H new ATOM 20 N ALA A 2 18.548 -11.603 17.617 1.00 0.86 N ATOM 21 CA ALA A 2 17.487 -10.964 16.857 1.00 0.87 C ATOM 22 C ALA A 2 17.878 -10.820 15.392 1.00 0.72 C ATOM 23 O ALA A 2 18.445 -9.804 14.982 1.00 0.87 O ATOM 24 CB ALA A 2 17.154 -9.608 17.458 1.00 1.10 C ATOM 0 H ALA A 2 19.157 -10.957 18.120 1.00 0.86 H new ATOM 0 HA ALA A 2 16.600 -11.596 16.907 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.358 -9.139 16.880 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.825 -9.738 18.489 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.040 -8.973 17.437 1.00 1.10 H new ATOM 30 N ALA A 3 17.598 -11.852 14.612 1.00 0.71 N ATOM 31 CA ALA A 3 17.912 -11.848 13.190 1.00 0.72 C ATOM 32 C ALA A 3 16.860 -12.624 12.407 1.00 0.70 C ATOM 33 O ALA A 3 16.694 -13.828 12.602 1.00 1.05 O ATOM 34 CB ALA A 3 19.294 -12.433 12.958 1.00 0.96 C ATOM 0 H ALA A 3 17.151 -12.708 14.941 1.00 0.71 H new ATOM 0 HA ALA A 3 17.907 -10.818 12.834 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.518 -12.425 11.891 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.036 -11.836 13.489 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.322 -13.458 13.327 1.00 0.96 H new ATOM 40 N GLN A 4 16.149 -11.935 11.521 1.00 0.66 N ATOM 41 CA GLN A 4 15.109 -12.568 10.722 1.00 0.68 C ATOM 42 C GLN A 4 14.934 -11.858 9.383 1.00 0.66 C ATOM 43 O GLN A 4 14.768 -10.637 9.327 1.00 0.81 O ATOM 44 CB GLN A 4 13.783 -12.580 11.485 1.00 0.83 C ATOM 45 CG GLN A 4 13.470 -11.268 12.190 1.00 0.97 C ATOM 46 CD GLN A 4 12.106 -11.267 12.846 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.623 -12.301 13.307 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.478 -10.106 12.892 1.00 1.63 N ATOM 0 H GLN A 4 16.274 -10.939 11.339 1.00 0.66 H new ATOM 0 HA GLN A 4 15.417 -13.595 10.527 1.00 0.68 H new ATOM 0 HB2 GLN A 4 12.976 -12.810 10.789 1.00 0.83 H new ATOM 0 HB3 GLN A 4 13.806 -13.382 12.223 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.232 -11.076 12.945 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.522 -10.452 11.469 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.916 -9.273 12.497 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.555 -10.042 13.322 1.00 1.63 H new ATOM 57 N SER A 5 14.977 -12.633 8.308 1.00 0.71 N ATOM 58 CA SER A 5 14.818 -12.100 6.966 1.00 0.76 C ATOM 59 C SER A 5 13.818 -12.956 6.190 1.00 0.73 C ATOM 60 O SER A 5 14.121 -13.485 5.115 1.00 1.11 O ATOM 61 CB SER A 5 16.169 -12.064 6.244 1.00 0.98 C ATOM 62 OG SER A 5 17.239 -12.317 7.145 1.00 1.18 O ATOM 0 H SER A 5 15.122 -13.642 8.343 1.00 0.71 H new ATOM 0 HA SER A 5 14.438 -11.080 7.028 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.178 -12.807 5.446 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.308 -11.090 5.774 1.00 0.98 H new ATOM 0 HG SER A 5 18.089 -12.290 6.659 1.00 1.18 H new ATOM 68 N ASP A 6 12.628 -13.099 6.756 1.00 0.62 N ATOM 69 CA ASP A 6 11.572 -13.900 6.148 1.00 0.68 C ATOM 70 C ASP A 6 10.782 -13.085 5.133 1.00 0.58 C ATOM 71 O ASP A 6 10.256 -12.021 5.451 1.00 0.80 O ATOM 72 CB ASP A 6 10.627 -14.439 7.227 1.00 0.89 C ATOM 73 CG ASP A 6 11.216 -15.603 8.001 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.971 -15.367 8.970 1.00 2.18 O ATOM 75 OD2 ASP A 6 10.916 -16.768 7.656 1.00 1.98 O ATOM 0 H ASP A 6 12.367 -12.667 7.643 1.00 0.62 H new ATOM 0 HA ASP A 6 12.041 -14.736 5.629 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.381 -13.635 7.921 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.694 -14.755 6.761 1.00 0.89 H new ATOM 80 N LYS A 7 10.716 -13.580 3.905 1.00 0.54 N ATOM 81 CA LYS A 7 9.979 -12.903 2.846 1.00 0.58 C ATOM 82 C LYS A 7 8.767 -13.730 2.442 1.00 0.53 C ATOM 83 O LYS A 7 8.901 -14.836 1.911 1.00 0.85 O ATOM 84 CB LYS A 7 10.881 -12.651 1.635 1.00 0.81 C ATOM 85 CG LYS A 7 11.767 -11.420 1.777 1.00 1.05 C ATOM 86 CD LYS A 7 10.953 -10.135 1.736 1.00 1.24 C ATOM 87 CE LYS A 7 11.841 -8.903 1.635 1.00 1.58 C ATOM 88 NZ LYS A 7 12.669 -8.705 2.857 1.00 1.91 N ATOM 0 H LYS A 7 11.165 -14.450 3.617 1.00 0.54 H new ATOM 0 HA LYS A 7 9.638 -11.939 3.223 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.512 -13.525 1.475 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.259 -12.540 0.747 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.317 -11.473 2.717 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.506 -11.409 0.976 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.273 -10.163 0.885 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.338 -10.066 2.633 1.00 1.24 H new ATOM 0 HE2 LYS A 7 12.494 -8.998 0.767 1.00 1.58 H new ATOM 0 HE3 LYS A 7 11.220 -8.022 1.472 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 13.257 -7.855 2.744 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 12.047 -8.588 3.682 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 13.281 -9.533 2.999 1.00 1.91 H new ATOM 102 N ASP A 8 7.584 -13.199 2.708 1.00 0.50 N ATOM 103 CA ASP A 8 6.348 -13.895 2.385 1.00 0.54 C ATOM 104 C ASP A 8 5.335 -12.931 1.782 1.00 0.51 C ATOM 105 O ASP A 8 5.484 -11.715 1.893 1.00 0.83 O ATOM 106 CB ASP A 8 5.771 -14.552 3.642 1.00 0.75 C ATOM 107 CG ASP A 8 4.640 -15.515 3.333 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.579 -16.024 2.192 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.806 -15.770 4.229 1.00 1.72 O ATOM 0 H ASP A 8 7.453 -12.288 3.147 1.00 0.50 H new ATOM 0 HA ASP A 8 6.567 -14.670 1.650 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.565 -15.086 4.165 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.409 -13.778 4.318 1.00 0.75 H new ATOM 114 N VAL A 9 4.314 -13.478 1.141 1.00 0.39 N ATOM 115 CA VAL A 9 3.277 -12.671 0.520 1.00 0.35 C ATOM 116 C VAL A 9 1.888 -13.174 0.924 1.00 0.33 C ATOM 117 O VAL A 9 1.478 -14.278 0.557 1.00 0.44 O ATOM 118 CB VAL A 9 3.416 -12.663 -1.028 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.532 -14.079 -1.577 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.249 -11.935 -1.681 1.00 0.47 C ATOM 0 H VAL A 9 4.182 -14.484 1.037 1.00 0.39 H new ATOM 0 HA VAL A 9 3.398 -11.648 0.875 1.00 0.35 H new ATOM 0 HB VAL A 9 4.333 -12.126 -1.271 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.628 -14.042 -2.662 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.411 -14.563 -1.151 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.640 -14.647 -1.311 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.374 -11.946 -2.764 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.316 -12.434 -1.418 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.221 -10.904 -1.329 1.00 0.47 H new ATOM 130 N LYS A 10 1.176 -12.375 1.706 1.00 0.30 N ATOM 131 CA LYS A 10 -0.163 -12.742 2.141 1.00 0.34 C ATOM 132 C LYS A 10 -1.209 -11.981 1.332 1.00 0.34 C ATOM 133 O LYS A 10 -1.246 -10.752 1.344 1.00 0.48 O ATOM 134 CB LYS A 10 -0.348 -12.469 3.639 1.00 0.42 C ATOM 135 CG LYS A 10 -1.716 -12.883 4.159 1.00 0.93 C ATOM 136 CD LYS A 10 -1.687 -13.212 5.643 1.00 0.98 C ATOM 137 CE LYS A 10 -1.156 -14.618 5.903 1.00 1.27 C ATOM 138 NZ LYS A 10 -2.052 -15.670 5.350 1.00 1.97 N ATOM 0 H LYS A 10 1.502 -11.472 2.051 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.294 -13.811 1.971 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.422 -13.002 4.197 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.201 -11.406 3.829 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.430 -12.079 3.980 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -2.068 -13.752 3.602 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.063 -12.486 6.164 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.692 -13.122 6.055 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -0.165 -14.718 5.460 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -1.042 -14.768 6.977 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -1.844 -16.580 5.809 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -3.043 -15.411 5.529 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -1.896 -15.755 4.325 1.00 1.97 H new ATOM 152 N TYR A 11 -2.040 -12.716 0.613 1.00 0.34 N ATOM 153 CA TYR A 11 -3.080 -12.111 -0.203 1.00 0.35 C ATOM 154 C TYR A 11 -4.200 -11.554 0.667 1.00 0.33 C ATOM 155 O TYR A 11 -4.953 -12.301 1.292 1.00 0.39 O ATOM 156 CB TYR A 11 -3.622 -13.128 -1.212 1.00 0.43 C ATOM 157 CG TYR A 11 -2.837 -13.149 -2.506 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.522 -13.601 -2.542 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.408 -12.703 -3.692 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.801 -13.608 -3.719 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.690 -12.707 -4.873 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.389 -13.161 -4.881 1.00 0.83 C ATOM 163 OH TYR A 11 -0.671 -13.160 -6.054 1.00 1.03 O ATOM 0 H TYR A 11 -2.015 -13.735 0.577 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.645 -11.278 -0.755 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.602 -14.122 -0.765 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.665 -12.897 -1.429 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.057 -13.953 -1.633 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.428 -12.348 -3.691 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.219 -13.962 -3.728 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -3.147 -12.356 -5.786 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.359 -12.251 -6.246 1.00 1.03 H new ATOM 173 N TYR A 12 -4.300 -10.233 0.699 1.00 0.37 N ATOM 174 CA TYR A 12 -5.311 -9.555 1.490 1.00 0.41 C ATOM 175 C TYR A 12 -6.458 -9.067 0.611 1.00 0.42 C ATOM 176 O TYR A 12 -6.312 -8.927 -0.607 1.00 0.45 O ATOM 177 CB TYR A 12 -4.702 -8.358 2.226 1.00 0.45 C ATOM 178 CG TYR A 12 -3.825 -8.725 3.405 1.00 0.51 C ATOM 179 CD1 TYR A 12 -4.351 -9.383 4.508 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.474 -8.398 3.418 1.00 0.70 C ATOM 181 CE1 TYR A 12 -3.556 -9.708 5.591 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.671 -8.720 4.498 1.00 0.82 C ATOM 183 CZ TYR A 12 -2.215 -9.373 5.582 1.00 0.82 C ATOM 184 OH TYR A 12 -1.421 -9.688 6.663 1.00 1.02 O ATOM 0 H TYR A 12 -3.685 -9.606 0.180 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.698 -10.272 2.214 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.113 -7.774 1.519 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.509 -7.714 2.576 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -5.399 -9.645 4.520 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -2.044 -7.884 2.571 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.981 -10.222 6.441 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.623 -8.461 4.491 1.00 0.82 H new ATOM 0 HH TYR A 12 -0.505 -9.384 6.495 1.00 1.02 H new ATOM 194 N THR A 13 -7.601 -8.834 1.231 1.00 0.47 N ATOM 195 CA THR A 13 -8.769 -8.339 0.526 1.00 0.51 C ATOM 196 C THR A 13 -8.671 -6.822 0.373 1.00 0.47 C ATOM 197 O THR A 13 -7.998 -6.162 1.169 1.00 0.46 O ATOM 198 CB THR A 13 -10.049 -8.714 1.295 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.701 -9.477 2.464 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.988 -9.528 0.422 1.00 0.86 C ATOM 0 H THR A 13 -7.745 -8.981 2.230 1.00 0.47 H new ATOM 0 HA THR A 13 -8.811 -8.795 -0.463 1.00 0.51 H new ATOM 0 HB THR A 13 -10.557 -7.795 1.587 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.166 -9.110 3.245 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.884 -9.780 0.988 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.266 -8.945 -0.456 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.489 -10.444 0.106 1.00 0.86 H new ATOM 208 N LEU A 14 -9.319 -6.266 -0.644 1.00 0.50 N ATOM 209 CA LEU A 14 -9.277 -4.823 -0.872 1.00 0.51 C ATOM 210 C LEU A 14 -9.819 -4.062 0.339 1.00 0.48 C ATOM 211 O LEU A 14 -9.227 -3.077 0.787 1.00 0.51 O ATOM 212 CB LEU A 14 -10.072 -4.458 -2.124 1.00 0.58 C ATOM 213 CG LEU A 14 -9.834 -3.047 -2.668 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.421 -2.914 -3.215 1.00 1.00 C ATOM 215 CD2 LEU A 14 -10.854 -2.713 -3.746 1.00 0.95 C ATOM 0 H LEU A 14 -9.877 -6.787 -1.321 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.236 -4.534 -1.019 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.832 -5.176 -2.908 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.134 -4.570 -1.904 1.00 0.58 H new ATOM 0 HG LEU A 14 -9.953 -2.339 -1.847 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -8.272 -1.904 -3.597 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -7.703 -3.111 -2.419 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.274 -3.632 -4.022 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -10.670 -1.706 -4.122 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -10.766 -3.427 -4.564 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -11.858 -2.765 -3.325 1.00 0.95 H new ATOM 227 N GLU A 15 -10.928 -4.548 0.888 1.00 0.50 N ATOM 228 CA GLU A 15 -11.560 -3.923 2.048 1.00 0.53 C ATOM 229 C GLU A 15 -10.754 -4.176 3.325 1.00 0.51 C ATOM 230 O GLU A 15 -11.076 -3.649 4.389 1.00 0.61 O ATOM 231 CB GLU A 15 -12.995 -4.438 2.223 1.00 0.61 C ATOM 232 CG GLU A 15 -13.116 -5.958 2.201 1.00 0.67 C ATOM 233 CD GLU A 15 -13.369 -6.506 0.811 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.414 -6.575 0.011 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.520 -6.871 0.507 1.00 1.05 O ATOM 0 H GLU A 15 -11.411 -5.379 0.546 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.588 -2.848 1.869 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.391 -4.066 3.168 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.618 -4.023 1.431 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.201 -6.397 2.599 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.929 -6.263 2.860 1.00 0.67 H new ATOM 242 N GLU A 16 -9.705 -4.978 3.215 1.00 0.46 N ATOM 243 CA GLU A 16 -8.863 -5.294 4.359 1.00 0.50 C ATOM 244 C GLU A 16 -7.715 -4.299 4.462 1.00 0.46 C ATOM 245 O GLU A 16 -7.398 -3.802 5.542 1.00 0.51 O ATOM 246 CB GLU A 16 -8.297 -6.707 4.229 1.00 0.58 C ATOM 247 CG GLU A 16 -8.432 -7.538 5.494 1.00 1.05 C ATOM 248 CD GLU A 16 -9.858 -7.978 5.746 1.00 1.60 C ATOM 249 OE1 GLU A 16 -10.452 -8.619 4.852 1.00 2.32 O ATOM 250 OE2 GLU A 16 -10.388 -7.690 6.837 1.00 2.19 O ATOM 0 H GLU A 16 -9.416 -5.422 2.343 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.474 -5.233 5.259 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -8.806 -7.219 3.412 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.243 -6.643 3.958 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.792 -8.417 5.418 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -8.078 -6.958 6.346 1.00 1.05 H new ATOM 257 N ILE A 17 -7.111 -3.999 3.323 1.00 0.42 N ATOM 258 CA ILE A 17 -5.977 -3.085 3.279 1.00 0.44 C ATOM 259 C ILE A 17 -6.411 -1.621 3.362 1.00 0.43 C ATOM 260 O ILE A 17 -5.727 -0.803 3.975 1.00 0.48 O ATOM 261 CB ILE A 17 -5.113 -3.310 2.013 1.00 0.50 C ATOM 262 CG1 ILE A 17 -5.969 -3.297 0.746 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.360 -4.626 2.124 1.00 0.58 C ATOM 264 CD1 ILE A 17 -5.945 -1.978 0.007 1.00 0.98 C ATOM 0 H ILE A 17 -7.386 -4.375 2.415 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.372 -3.307 4.158 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.397 -2.491 1.942 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -5.622 -4.084 0.077 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -6.999 -3.535 1.012 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.755 -4.776 1.230 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.712 -4.602 3.000 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.072 -5.445 2.222 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.575 -2.046 -0.880 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.320 -1.189 0.659 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -4.922 -1.747 -0.291 1.00 0.98 H new ATOM 276 N LYS A 18 -7.565 -1.294 2.782 1.00 0.42 N ATOM 277 CA LYS A 18 -8.047 0.086 2.792 1.00 0.48 C ATOM 278 C LYS A 18 -8.692 0.456 4.123 1.00 0.50 C ATOM 279 O LYS A 18 -9.136 1.585 4.306 1.00 0.63 O ATOM 280 CB LYS A 18 -9.037 0.329 1.649 1.00 0.56 C ATOM 281 CG LYS A 18 -10.399 -0.320 1.858 1.00 0.53 C ATOM 282 CD LYS A 18 -11.503 0.476 1.179 1.00 0.87 C ATOM 283 CE LYS A 18 -11.310 0.527 -0.328 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.211 1.519 -0.968 1.00 1.48 N ATOM 0 H LYS A 18 -8.177 -1.956 2.305 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.176 0.725 2.651 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.174 1.403 1.523 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.605 -0.048 0.722 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.384 -1.336 1.462 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.607 -0.397 2.925 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.470 0.027 1.408 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.520 1.490 1.579 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.274 0.779 -0.553 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.497 -0.460 -0.752 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.049 1.523 -1.995 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -13.201 1.264 -0.775 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.015 2.465 -0.583 1.00 1.48 H new ATOM 298 N LYS A 19 -8.752 -0.492 5.047 1.00 0.47 N ATOM 299 CA LYS A 19 -9.344 -0.233 6.350 1.00 0.53 C ATOM 300 C LYS A 19 -8.252 -0.125 7.409 1.00 0.54 C ATOM 301 O LYS A 19 -8.523 -0.033 8.606 1.00 0.67 O ATOM 302 CB LYS A 19 -10.350 -1.332 6.718 1.00 0.60 C ATOM 303 CG LYS A 19 -11.339 -0.926 7.806 1.00 0.84 C ATOM 304 CD LYS A 19 -12.217 0.242 7.373 1.00 1.09 C ATOM 305 CE LYS A 19 -13.357 -0.213 6.475 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.511 -0.720 7.263 1.00 1.68 N ATOM 0 H LYS A 19 -8.400 -1.441 4.920 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.882 0.714 6.306 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.905 -1.617 5.824 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.803 -2.215 7.049 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.969 -1.779 8.060 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.793 -0.654 8.709 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.624 0.738 8.254 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.610 0.978 6.846 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.681 0.619 5.849 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.002 -0.996 5.805 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.268 -1.021 6.616 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.208 -1.530 7.841 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.866 0.035 7.884 1.00 1.68 H new ATOM 320 N HIS A 20 -7.009 -0.130 6.952 1.00 0.55 N ATOM 321 CA HIS A 20 -5.867 -0.030 7.849 1.00 0.59 C ATOM 322 C HIS A 20 -5.210 1.337 7.725 1.00 0.58 C ATOM 323 O HIS A 20 -4.184 1.608 8.345 1.00 0.66 O ATOM 324 CB HIS A 20 -4.851 -1.134 7.549 1.00 0.68 C ATOM 325 CG HIS A 20 -5.094 -2.392 8.323 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.906 -3.413 7.878 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.626 -2.788 9.529 1.00 0.98 C ATOM 328 CE1 HIS A 20 -5.925 -4.378 8.776 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.154 -4.028 9.784 1.00 1.13 N ATOM 0 H HIS A 20 -6.765 -0.202 5.964 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.223 -0.154 8.872 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -4.877 -1.361 6.483 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.850 -0.766 7.773 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.413 -3.421 6.993 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.960 -2.231 10.172 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.480 -5.301 8.698 1.00 1.07 H new ATOM 338 N ASN A 21 -5.841 2.205 6.949 1.00 0.58 N ATOM 339 CA ASN A 21 -5.340 3.555 6.707 1.00 0.61 C ATOM 340 C ASN A 21 -5.534 4.441 7.937 1.00 0.60 C ATOM 341 O ASN A 21 -6.459 5.251 8.007 1.00 0.75 O ATOM 342 CB ASN A 21 -6.041 4.165 5.482 1.00 0.72 C ATOM 343 CG ASN A 21 -7.560 4.202 5.603 1.00 0.74 C ATOM 344 OD1 ASN A 21 -8.171 3.394 6.305 1.00 0.96 O ATOM 345 ND2 ASN A 21 -8.180 5.140 4.904 1.00 0.88 N ATOM 0 H ASN A 21 -6.716 1.996 6.468 1.00 0.58 H new ATOM 0 HA ASN A 21 -4.270 3.495 6.506 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -5.672 5.180 5.331 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -5.769 3.592 4.596 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -9.197 5.211 4.936 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -7.641 5.792 4.334 1.00 0.88 H new ATOM 352 N HIS A 22 -4.662 4.274 8.921 1.00 0.64 N ATOM 353 CA HIS A 22 -4.753 5.054 10.146 1.00 0.76 C ATOM 354 C HIS A 22 -3.443 5.780 10.448 1.00 0.88 C ATOM 355 O HIS A 22 -3.284 6.944 10.088 1.00 1.61 O ATOM 356 CB HIS A 22 -5.168 4.163 11.320 1.00 0.83 C ATOM 357 CG HIS A 22 -6.610 3.749 11.264 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.619 4.456 11.874 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.211 2.703 10.649 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.776 3.866 11.639 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.558 2.798 10.897 1.00 1.09 N ATOM 0 H HIS A 22 -3.888 3.610 8.896 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.521 5.814 10.001 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.541 3.272 11.332 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.985 4.694 12.254 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.721 1.935 10.070 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.739 4.201 11.995 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.271 2.150 10.563 1.00 1.09 H new ATOM 370 N SER A 23 -2.502 5.098 11.093 1.00 0.60 N ATOM 371 CA SER A 23 -1.227 5.724 11.430 1.00 0.62 C ATOM 372 C SER A 23 -0.087 4.710 11.512 1.00 0.52 C ATOM 373 O SER A 23 0.997 4.941 10.979 1.00 0.62 O ATOM 374 CB SER A 23 -1.355 6.464 12.762 1.00 0.84 C ATOM 375 OG SER A 23 -1.971 5.636 13.736 1.00 1.32 O ATOM 0 H SER A 23 -2.594 4.126 11.389 1.00 0.60 H new ATOM 0 HA SER A 23 -0.984 6.425 10.631 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.369 6.772 13.110 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.942 7.372 12.625 1.00 0.84 H new ATOM 0 HG SER A 23 -2.043 6.125 14.582 1.00 1.32 H new ATOM 381 N LYS A 24 -0.330 3.593 12.190 1.00 0.51 N ATOM 382 CA LYS A 24 0.690 2.559 12.352 1.00 0.51 C ATOM 383 C LYS A 24 0.379 1.323 11.510 1.00 0.44 C ATOM 384 O LYS A 24 0.807 0.215 11.829 1.00 0.45 O ATOM 385 CB LYS A 24 0.823 2.184 13.830 1.00 0.71 C ATOM 386 CG LYS A 24 -0.503 1.863 14.511 1.00 0.97 C ATOM 387 CD LYS A 24 -0.461 2.175 16.001 1.00 1.41 C ATOM 388 CE LYS A 24 -0.540 3.672 16.265 1.00 1.88 C ATOM 389 NZ LYS A 24 -0.797 3.976 17.697 1.00 2.36 N ATOM 0 H LYS A 24 -1.222 3.379 12.636 1.00 0.51 H new ATOM 0 HA LYS A 24 1.639 2.963 11.998 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.483 1.321 13.917 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.303 3.006 14.361 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.302 2.437 14.041 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.741 0.809 14.366 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -1.289 1.673 16.501 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.459 1.778 16.430 1.00 1.41 H new ATOM 0 HE2 LYS A 24 0.393 4.143 15.957 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.333 4.106 15.655 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -0.843 5.006 17.830 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.700 3.549 17.986 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -0.028 3.586 18.278 1.00 2.36 H new ATOM 403 N SER A 25 -0.369 1.526 10.438 1.00 0.43 N ATOM 404 CA SER A 25 -0.739 0.443 9.532 1.00 0.42 C ATOM 405 C SER A 25 -1.045 1.016 8.152 1.00 0.42 C ATOM 406 O SER A 25 -1.834 0.459 7.387 1.00 0.50 O ATOM 407 CB SER A 25 -1.954 -0.318 10.073 1.00 0.48 C ATOM 408 OG SER A 25 -1.710 -0.808 11.384 1.00 0.83 O ATOM 0 H SER A 25 -0.737 2.439 10.169 1.00 0.43 H new ATOM 0 HA SER A 25 0.094 -0.256 9.454 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.823 0.339 10.083 1.00 0.48 H new ATOM 0 HB3 SER A 25 -2.191 -1.149 9.409 1.00 0.48 H new ATOM 0 HG SER A 25 -2.501 -1.288 11.706 1.00 0.83 H new ATOM 414 N THR A 26 -0.393 2.126 7.843 1.00 0.42 N ATOM 415 CA THR A 26 -0.587 2.820 6.579 1.00 0.43 C ATOM 416 C THR A 26 0.026 2.048 5.409 1.00 0.36 C ATOM 417 O THR A 26 1.247 2.019 5.237 1.00 0.41 O ATOM 418 CB THR A 26 0.029 4.229 6.646 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.296 4.837 7.906 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.483 5.102 5.513 1.00 0.56 C ATOM 0 H THR A 26 0.285 2.571 8.461 1.00 0.42 H new ATOM 0 HA THR A 26 -1.661 2.896 6.409 1.00 0.43 H new ATOM 0 HB THR A 26 1.111 4.136 6.547 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.336 4.531 8.590 1.00 0.64 H new ATOM 0 HG21 THR A 26 -0.032 6.092 5.584 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.218 4.650 4.557 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.567 5.191 5.584 1.00 0.56 H new ATOM 428 N TRP A 27 -0.837 1.418 4.616 1.00 0.35 N ATOM 429 CA TRP A 27 -0.402 0.644 3.462 1.00 0.33 C ATOM 430 C TRP A 27 -0.723 1.382 2.169 1.00 0.32 C ATOM 431 O TRP A 27 -1.684 2.153 2.103 1.00 0.36 O ATOM 432 CB TRP A 27 -1.080 -0.729 3.459 1.00 0.38 C ATOM 433 CG TRP A 27 -0.678 -1.594 4.614 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.482 -1.514 5.325 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.428 -2.670 5.189 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.501 -2.466 6.309 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.659 -3.193 6.246 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.672 -3.242 4.912 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -1.097 -4.262 7.025 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -3.104 -4.301 5.687 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.320 -4.801 6.731 1.00 0.71 C ATOM 0 H TRP A 27 -1.847 1.430 4.755 1.00 0.35 H new ATOM 0 HA TRP A 27 0.678 0.509 3.528 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.161 -0.592 3.476 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.839 -1.243 2.529 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.273 -0.802 5.139 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.256 -2.611 6.980 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.285 -2.863 4.107 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.493 -4.651 7.832 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -4.064 -4.751 5.483 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.687 -5.630 7.318 1.00 0.71 H new ATOM 452 N LEU A 28 0.083 1.140 1.150 1.00 0.32 N ATOM 453 CA LEU A 28 -0.107 1.768 -0.149 1.00 0.33 C ATOM 454 C LEU A 28 -0.076 0.710 -1.242 1.00 0.32 C ATOM 455 O LEU A 28 0.710 -0.239 -1.170 1.00 0.32 O ATOM 456 CB LEU A 28 0.991 2.807 -0.395 1.00 0.36 C ATOM 457 CG LEU A 28 0.504 4.210 -0.761 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.606 5.231 -0.526 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.048 4.256 -2.211 1.00 0.99 C ATOM 0 H LEU A 28 0.882 0.508 1.197 1.00 0.32 H new ATOM 0 HA LEU A 28 -1.075 2.268 -0.164 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.606 2.878 0.502 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.636 2.445 -1.196 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.344 4.456 -0.122 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.244 6.224 -0.791 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.895 5.219 0.525 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.470 4.983 -1.143 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.295 5.262 -2.453 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.880 3.990 -2.863 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.769 3.549 -2.358 1.00 0.99 H new ATOM 471 N ILE A 29 -0.935 0.855 -2.238 1.00 0.35 N ATOM 472 CA ILE A 29 -0.977 -0.100 -3.333 1.00 0.36 C ATOM 473 C ILE A 29 -0.134 0.397 -4.499 1.00 0.36 C ATOM 474 O ILE A 29 -0.371 1.481 -5.036 1.00 0.39 O ATOM 475 CB ILE A 29 -2.418 -0.354 -3.828 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.349 -0.667 -2.656 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.438 -1.497 -4.835 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.816 -0.623 -3.028 1.00 0.80 C ATOM 0 H ILE A 29 -1.608 1.618 -2.311 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.576 -1.039 -2.951 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.775 0.553 -4.317 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -3.110 -1.656 -2.265 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -3.163 0.046 -1.853 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.460 -1.665 -5.175 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.809 -1.242 -5.688 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -2.059 -2.404 -4.364 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.421 -0.854 -2.151 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -5.070 0.373 -3.391 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -5.015 -1.356 -3.810 1.00 0.80 H new ATOM 490 N LEU A 30 0.862 -0.389 -4.868 1.00 0.34 N ATOM 491 CA LEU A 30 1.740 -0.046 -5.973 1.00 0.37 C ATOM 492 C LEU A 30 1.888 -1.239 -6.903 1.00 0.38 C ATOM 493 O LEU A 30 2.408 -2.281 -6.505 1.00 0.38 O ATOM 494 CB LEU A 30 3.111 0.394 -5.455 1.00 0.38 C ATOM 495 CG LEU A 30 3.111 1.675 -4.617 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.430 1.835 -3.885 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.845 2.886 -5.494 1.00 0.48 C ATOM 0 H LEU A 30 1.084 -1.275 -4.415 1.00 0.34 H new ATOM 0 HA LEU A 30 1.300 0.785 -6.525 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.531 -0.413 -4.855 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.775 0.537 -6.308 1.00 0.38 H new ATOM 0 HG LEU A 30 2.313 1.599 -3.879 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.410 2.751 -3.295 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.586 0.982 -3.225 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.244 1.887 -4.608 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.849 3.787 -4.881 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.622 2.962 -6.255 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.873 2.779 -5.976 1.00 0.48 H new ATOM 509 N HIS A 31 1.407 -1.085 -8.131 1.00 0.41 N ATOM 510 CA HIS A 31 1.462 -2.144 -9.137 1.00 0.43 C ATOM 511 C HIS A 31 0.604 -3.330 -8.710 1.00 0.42 C ATOM 512 O HIS A 31 0.949 -4.488 -8.964 1.00 0.45 O ATOM 513 CB HIS A 31 2.907 -2.596 -9.403 1.00 0.47 C ATOM 514 CG HIS A 31 3.700 -1.640 -10.247 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.594 -1.578 -11.620 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.628 -0.714 -9.906 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.419 -0.659 -12.085 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.064 -0.117 -11.065 1.00 1.18 N ATOM 0 H HIS A 31 0.968 -0.225 -8.459 1.00 0.41 H new ATOM 0 HA HIS A 31 1.065 -1.738 -10.067 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.416 -2.731 -8.449 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.888 -3.569 -9.894 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.964 -0.486 -8.905 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.546 -0.394 -13.124 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.767 0.620 -11.128 1.00 1.18 H new ATOM 527 N HIS A 32 -0.515 -3.017 -8.052 1.00 0.42 N ATOM 528 CA HIS A 32 -1.476 -4.019 -7.570 1.00 0.44 C ATOM 529 C HIS A 32 -0.910 -4.843 -6.411 1.00 0.40 C ATOM 530 O HIS A 32 -1.411 -5.928 -6.102 1.00 0.44 O ATOM 531 CB HIS A 32 -1.940 -4.938 -8.713 1.00 0.52 C ATOM 532 CG HIS A 32 -2.766 -4.234 -9.749 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.704 -4.525 -11.095 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.686 -3.246 -9.624 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.544 -3.746 -11.750 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.153 -2.962 -10.882 1.00 0.97 N ATOM 0 H HIS A 32 -0.784 -2.057 -7.836 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.342 -3.475 -7.194 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.066 -5.377 -9.194 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.520 -5.761 -8.295 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -3.994 -2.771 -8.704 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.706 -3.750 -12.818 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.856 -2.259 -11.109 1.00 0.97 H new ATOM 545 N LYS A 33 0.120 -4.315 -5.762 1.00 0.37 N ATOM 546 CA LYS A 33 0.744 -4.982 -4.627 1.00 0.37 C ATOM 547 C LYS A 33 0.629 -4.102 -3.387 1.00 0.33 C ATOM 548 O LYS A 33 0.542 -2.879 -3.497 1.00 0.36 O ATOM 549 CB LYS A 33 2.217 -5.287 -4.917 1.00 0.40 C ATOM 550 CG LYS A 33 2.434 -6.221 -6.096 1.00 0.57 C ATOM 551 CD LYS A 33 3.896 -6.267 -6.500 1.00 0.79 C ATOM 552 CE LYS A 33 4.106 -7.123 -7.737 1.00 0.94 C ATOM 553 NZ LYS A 33 4.154 -8.574 -7.417 1.00 1.02 N ATOM 0 H LYS A 33 0.543 -3.419 -6.005 1.00 0.37 H new ATOM 0 HA LYS A 33 0.227 -5.926 -4.452 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.741 -4.350 -5.107 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.668 -5.729 -4.028 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.094 -7.224 -5.836 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.831 -5.890 -6.941 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.253 -5.255 -6.692 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.490 -6.664 -5.677 1.00 0.79 H new ATOM 0 HE2 LYS A 33 3.300 -6.936 -8.447 1.00 0.94 H new ATOM 0 HE3 LYS A 33 5.035 -6.830 -8.226 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.077 -9.126 -8.295 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.054 -8.796 -6.946 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.364 -8.816 -6.785 1.00 1.02 H new ATOM 567 N VAL A 34 0.630 -4.720 -2.213 1.00 0.30 N ATOM 568 CA VAL A 34 0.508 -3.979 -0.962 1.00 0.30 C ATOM 569 C VAL A 34 1.878 -3.737 -0.337 1.00 0.27 C ATOM 570 O VAL A 34 2.630 -4.681 -0.085 1.00 0.28 O ATOM 571 CB VAL A 34 -0.379 -4.722 0.062 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.750 -3.806 1.219 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.634 -5.271 -0.603 1.00 0.35 C ATOM 0 H VAL A 34 0.714 -5.730 -2.100 1.00 0.30 H new ATOM 0 HA VAL A 34 0.040 -3.026 -1.209 1.00 0.30 H new ATOM 0 HB VAL A 34 0.195 -5.561 0.456 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.375 -4.350 1.928 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.157 -3.467 1.720 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.298 -2.944 0.839 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.242 -5.790 0.139 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.208 -4.449 -1.032 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.352 -5.968 -1.393 1.00 0.35 H new ATOM 583 N TYR A 35 2.194 -2.474 -0.087 1.00 0.28 N ATOM 584 CA TYR A 35 3.467 -2.105 0.514 1.00 0.28 C ATOM 585 C TYR A 35 3.249 -1.340 1.814 1.00 0.30 C ATOM 586 O TYR A 35 2.376 -0.469 1.891 1.00 0.32 O ATOM 587 CB TYR A 35 4.290 -1.250 -0.450 1.00 0.31 C ATOM 588 CG TYR A 35 4.759 -1.990 -1.682 1.00 0.31 C ATOM 589 CD1 TYR A 35 5.935 -2.728 -1.668 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.024 -1.947 -2.861 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.367 -3.404 -2.792 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.450 -2.619 -3.989 1.00 0.47 C ATOM 593 CZ TYR A 35 5.620 -3.344 -3.951 1.00 0.41 C ATOM 594 OH TYR A 35 6.045 -4.009 -5.077 1.00 0.48 O ATOM 0 H TYR A 35 1.582 -1.684 -0.293 1.00 0.28 H new ATOM 0 HA TYR A 35 4.012 -3.024 0.731 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.692 -0.392 -0.759 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.159 -0.859 0.079 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.522 -2.774 -0.763 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.106 -1.379 -2.895 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.283 -3.976 -2.764 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.868 -2.576 -4.898 1.00 0.47 H new ATOM 0 HH TYR A 35 6.554 -4.804 -4.815 1.00 0.48 H new ATOM 604 N ASP A 36 4.034 -1.674 2.831 1.00 0.32 N ATOM 605 CA ASP A 36 3.944 -1.008 4.126 1.00 0.36 C ATOM 606 C ASP A 36 4.996 0.083 4.225 1.00 0.38 C ATOM 607 O ASP A 36 6.193 -0.177 4.107 1.00 0.50 O ATOM 608 CB ASP A 36 4.130 -2.003 5.280 1.00 0.43 C ATOM 609 CG ASP A 36 3.758 -1.418 6.639 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.110 -0.248 6.919 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.113 -2.138 7.439 1.00 1.28 O ATOM 0 H ASP A 36 4.743 -2.405 2.784 1.00 0.32 H new ATOM 0 HA ASP A 36 2.949 -0.569 4.206 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.520 -2.887 5.092 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.169 -2.332 5.305 1.00 0.43 H new ATOM 616 N LEU A 37 4.541 1.304 4.435 1.00 0.37 N ATOM 617 CA LEU A 37 5.432 2.443 4.564 1.00 0.43 C ATOM 618 C LEU A 37 4.986 3.294 5.740 1.00 0.37 C ATOM 619 O LEU A 37 5.291 4.487 5.824 1.00 0.40 O ATOM 620 CB LEU A 37 5.451 3.278 3.275 1.00 0.56 C ATOM 621 CG LEU A 37 4.202 4.126 3.014 1.00 0.66 C ATOM 622 CD1 LEU A 37 4.531 5.279 2.079 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.082 3.274 2.439 1.00 0.80 C ATOM 0 H LEU A 37 3.551 1.534 4.521 1.00 0.37 H new ATOM 0 HA LEU A 37 6.445 2.081 4.738 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.317 3.939 3.305 1.00 0.56 H new ATOM 0 HB3 LEU A 37 5.594 2.605 2.430 1.00 0.56 H new ATOM 0 HG LEU A 37 3.861 4.537 3.964 1.00 0.66 H new ATOM 0 HD11 LEU A 37 3.634 5.872 1.903 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.298 5.907 2.532 1.00 0.86 H new ATOM 0 HD13 LEU A 37 4.897 4.885 1.131 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.205 3.897 2.262 1.00 0.80 H new ATOM 0 HD22 LEU A 37 3.408 2.831 1.498 1.00 0.80 H new ATOM 0 HD23 LEU A 37 2.828 2.483 3.144 1.00 0.80 H new ATOM 635 N THR A 38 4.292 2.653 6.673 1.00 0.34 N ATOM 636 CA THR A 38 3.770 3.328 7.847 1.00 0.36 C ATOM 637 C THR A 38 4.898 3.866 8.731 1.00 0.38 C ATOM 638 O THR A 38 4.687 4.745 9.564 1.00 0.44 O ATOM 639 CB THR A 38 2.839 2.390 8.651 1.00 0.41 C ATOM 640 OG1 THR A 38 1.779 3.151 9.236 1.00 0.48 O ATOM 641 CG2 THR A 38 3.587 1.631 9.744 1.00 0.48 C ATOM 0 H THR A 38 4.078 1.656 6.634 1.00 0.34 H new ATOM 0 HA THR A 38 3.184 4.181 7.505 1.00 0.36 H new ATOM 0 HB THR A 38 2.436 1.653 7.956 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.128 3.673 9.989 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.891 0.986 10.280 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.371 1.023 9.293 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.033 2.341 10.440 1.00 0.48 H new ATOM 649 N LYS A 39 6.097 3.338 8.537 1.00 0.39 N ATOM 650 CA LYS A 39 7.255 3.777 9.299 1.00 0.47 C ATOM 651 C LYS A 39 8.207 4.564 8.407 1.00 0.47 C ATOM 652 O LYS A 39 9.302 4.931 8.821 1.00 0.59 O ATOM 653 CB LYS A 39 7.984 2.576 9.909 1.00 0.56 C ATOM 654 CG LYS A 39 7.207 1.883 11.019 1.00 0.75 C ATOM 655 CD LYS A 39 7.070 2.771 12.248 1.00 0.92 C ATOM 656 CE LYS A 39 6.289 2.085 13.351 1.00 1.27 C ATOM 657 NZ LYS A 39 6.206 2.930 14.571 1.00 1.50 N ATOM 0 H LYS A 39 6.293 2.604 7.857 1.00 0.39 H new ATOM 0 HA LYS A 39 6.910 4.423 10.106 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.196 1.853 9.121 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.944 2.908 10.304 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.217 1.610 10.655 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.712 0.957 11.293 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.061 3.039 12.616 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.571 3.700 11.972 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.284 1.856 12.997 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.764 1.135 13.597 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.665 2.429 15.304 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.165 3.127 14.922 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 5.730 3.826 14.341 1.00 1.50 H new ATOM 671 N PHE A 40 7.767 4.839 7.185 1.00 0.40 N ATOM 672 CA PHE A 40 8.592 5.561 6.228 1.00 0.44 C ATOM 673 C PHE A 40 7.929 6.855 5.777 1.00 0.40 C ATOM 674 O PHE A 40 8.438 7.538 4.896 1.00 0.42 O ATOM 675 CB PHE A 40 8.878 4.677 5.014 1.00 0.52 C ATOM 676 CG PHE A 40 10.332 4.596 4.664 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.218 3.933 5.494 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.813 5.177 3.503 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.558 3.851 5.173 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.152 5.099 3.177 1.00 2.45 C ATOM 681 CZ PHE A 40 13.026 4.435 4.014 1.00 2.68 C ATOM 0 H PHE A 40 6.846 4.573 6.835 1.00 0.40 H new ATOM 0 HA PHE A 40 9.528 5.818 6.725 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.503 3.672 5.209 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.327 5.062 4.156 1.00 0.52 H new ATOM 0 HD1 PHE A 40 10.857 3.475 6.403 1.00 1.66 H new ATOM 0 HD2 PHE A 40 10.133 5.697 2.845 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.240 3.330 5.829 1.00 2.39 H new ATOM 0 HE2 PHE A 40 12.515 5.557 2.269 1.00 2.45 H new ATOM 0 HZ PHE A 40 14.074 4.373 3.762 1.00 2.68 H new ATOM 691 N LEU A 41 6.804 7.192 6.394 1.00 0.39 N ATOM 692 CA LEU A 41 6.077 8.412 6.044 1.00 0.43 C ATOM 693 C LEU A 41 6.963 9.644 6.217 1.00 0.44 C ATOM 694 O LEU A 41 7.065 10.484 5.325 1.00 0.47 O ATOM 695 CB LEU A 41 4.822 8.551 6.908 1.00 0.49 C ATOM 696 CG LEU A 41 3.820 7.399 6.795 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.782 7.478 7.905 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.136 7.414 5.436 1.00 0.59 C ATOM 0 H LEU A 41 6.374 6.642 7.137 1.00 0.39 H new ATOM 0 HA LEU A 41 5.784 8.340 4.997 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.127 8.645 7.950 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.316 9.478 6.639 1.00 0.49 H new ATOM 0 HG LEU A 41 4.369 6.463 6.898 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.080 6.650 7.806 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.279 7.418 8.873 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.242 8.422 7.832 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.428 6.588 5.376 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.605 8.357 5.306 1.00 0.59 H new ATOM 0 HD23 LEU A 41 3.885 7.308 4.651 1.00 0.59 H new ATOM 710 N GLU A 42 7.617 9.727 7.368 1.00 0.49 N ATOM 711 CA GLU A 42 8.497 10.845 7.680 1.00 0.56 C ATOM 712 C GLU A 42 9.923 10.574 7.204 1.00 0.54 C ATOM 713 O GLU A 42 10.829 11.376 7.429 1.00 0.66 O ATOM 714 CB GLU A 42 8.492 11.094 9.185 1.00 0.67 C ATOM 715 CG GLU A 42 8.748 9.840 10.002 1.00 0.72 C ATOM 716 CD GLU A 42 9.517 10.136 11.262 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.885 10.465 12.283 1.00 1.40 O ATOM 718 OE2 GLU A 42 10.760 10.057 11.236 1.00 1.50 O ATOM 0 H GLU A 42 7.553 9.027 8.107 1.00 0.49 H new ATOM 0 HA GLU A 42 8.128 11.729 7.159 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.252 11.838 9.426 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.530 11.517 9.473 1.00 0.67 H new ATOM 0 HG2 GLU A 42 7.797 9.374 10.259 1.00 0.72 H new ATOM 0 HG3 GLU A 42 9.303 9.121 9.399 1.00 0.72 H new ATOM 725 N GLU A 43 10.116 9.439 6.549 1.00 0.48 N ATOM 726 CA GLU A 43 11.426 9.052 6.042 1.00 0.50 C ATOM 727 C GLU A 43 11.418 9.084 4.524 1.00 0.43 C ATOM 728 O GLU A 43 12.309 8.538 3.867 1.00 0.54 O ATOM 729 CB GLU A 43 11.783 7.649 6.523 1.00 0.58 C ATOM 730 CG GLU A 43 11.852 7.520 8.031 1.00 0.76 C ATOM 731 CD GLU A 43 13.243 7.181 8.518 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.212 7.329 7.738 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.378 6.766 9.687 1.00 1.56 O ATOM 0 H GLU A 43 9.376 8.764 6.355 1.00 0.48 H new ATOM 0 HA GLU A 43 12.170 9.755 6.416 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.044 6.945 6.141 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.745 7.363 6.099 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.528 8.455 8.488 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.157 6.747 8.359 1.00 0.76 H new ATOM 740 N HIS A 44 10.392 9.714 3.982 1.00 0.43 N ATOM 741 CA HIS A 44 10.218 9.821 2.548 1.00 0.39 C ATOM 742 C HIS A 44 10.442 11.263 2.085 1.00 0.43 C ATOM 743 O HIS A 44 9.761 12.182 2.548 1.00 0.51 O ATOM 744 CB HIS A 44 8.810 9.348 2.185 1.00 0.41 C ATOM 745 CG HIS A 44 8.575 9.183 0.720 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.995 10.147 -0.068 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.844 8.136 -0.101 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.921 9.672 -1.311 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.426 8.453 -1.386 1.00 0.41 N ATOM 0 H HIS A 44 9.656 10.166 4.525 1.00 0.43 H new ATOM 0 HA HIS A 44 10.953 9.194 2.043 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.620 8.396 2.681 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.087 10.062 2.579 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.677 11.065 0.243 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.308 7.207 0.197 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.503 10.212 -2.147 1.00 0.40 H new ATOM 757 N PRO A 45 11.397 11.477 1.160 1.00 0.44 N ATOM 758 CA PRO A 45 11.709 12.813 0.640 1.00 0.53 C ATOM 759 C PRO A 45 10.545 13.415 -0.147 1.00 0.62 C ATOM 760 O PRO A 45 10.134 12.888 -1.182 1.00 1.11 O ATOM 761 CB PRO A 45 12.919 12.577 -0.274 1.00 0.58 C ATOM 762 CG PRO A 45 12.860 11.133 -0.633 1.00 0.56 C ATOM 763 CD PRO A 45 12.240 10.435 0.544 1.00 0.44 C ATOM 0 HA PRO A 45 11.906 13.524 1.442 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.870 13.206 -1.163 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.851 12.818 0.236 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.266 10.980 -1.534 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.856 10.741 -0.838 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.649 9.573 0.234 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.997 10.070 1.238 1.00 0.44 H new ATOM 771 N GLY A 46 10.011 14.515 0.360 1.00 0.75 N ATOM 772 CA GLY A 46 8.903 15.171 -0.299 1.00 0.82 C ATOM 773 C GLY A 46 7.773 15.469 0.660 1.00 0.83 C ATOM 774 O GLY A 46 6.879 16.259 0.354 1.00 1.38 O ATOM 0 H GLY A 46 10.327 14.966 1.219 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.249 16.100 -0.752 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.536 14.539 -1.108 1.00 0.82 H new ATOM 778 N GLY A 47 7.807 14.823 1.817 1.00 0.66 N ATOM 779 CA GLY A 47 6.784 15.040 2.818 1.00 0.67 C ATOM 780 C GLY A 47 5.834 13.868 2.941 1.00 0.60 C ATOM 781 O GLY A 47 5.686 13.076 2.009 1.00 0.64 O ATOM 0 H GLY A 47 8.527 14.151 2.080 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.257 15.222 3.783 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.218 15.937 2.566 1.00 0.67 H new ATOM 785 N GLU A 48 5.188 13.766 4.092 1.00 0.61 N ATOM 786 CA GLU A 48 4.246 12.687 4.357 1.00 0.63 C ATOM 787 C GLU A 48 2.835 13.084 3.934 1.00 0.63 C ATOM 788 O GLU A 48 1.945 12.238 3.837 1.00 0.65 O ATOM 789 CB GLU A 48 4.261 12.319 5.846 1.00 0.76 C ATOM 790 CG GLU A 48 4.126 13.521 6.769 1.00 0.95 C ATOM 791 CD GLU A 48 4.113 13.150 8.237 1.00 1.21 C ATOM 792 OE1 GLU A 48 4.996 12.387 8.677 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.219 13.634 8.965 1.00 1.86 O ATOM 0 H GLU A 48 5.300 14.423 4.864 1.00 0.61 H new ATOM 0 HA GLU A 48 4.552 11.819 3.773 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.448 11.622 6.048 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.191 11.798 6.074 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.951 14.208 6.582 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.206 14.054 6.528 1.00 0.95 H new ATOM 800 N GLU A 49 2.641 14.374 3.676 1.00 0.66 N ATOM 801 CA GLU A 49 1.340 14.894 3.268 1.00 0.74 C ATOM 802 C GLU A 49 0.867 14.226 1.979 1.00 0.68 C ATOM 803 O GLU A 49 -0.303 13.877 1.838 1.00 0.72 O ATOM 804 CB GLU A 49 1.429 16.409 3.075 1.00 0.86 C ATOM 805 CG GLU A 49 0.082 17.094 2.927 1.00 1.10 C ATOM 806 CD GLU A 49 -0.838 16.806 4.090 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.534 17.246 5.221 1.00 1.81 O ATOM 808 OE2 GLU A 49 -1.866 16.135 3.882 1.00 1.69 O ATOM 0 H GLU A 49 3.373 15.082 3.743 1.00 0.66 H new ATOM 0 HA GLU A 49 0.615 14.671 4.051 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.954 16.843 3.926 1.00 0.86 H new ATOM 0 HB3 GLU A 49 2.030 16.617 2.190 1.00 0.86 H new ATOM 0 HG2 GLU A 49 0.232 18.170 2.843 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.391 16.764 2.002 1.00 1.10 H new ATOM 815 N VAL A 50 1.794 14.023 1.053 1.00 0.63 N ATOM 816 CA VAL A 50 1.473 13.402 -0.230 1.00 0.60 C ATOM 817 C VAL A 50 1.343 11.884 -0.108 1.00 0.54 C ATOM 818 O VAL A 50 0.995 11.203 -1.071 1.00 0.54 O ATOM 819 CB VAL A 50 2.532 13.734 -1.301 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.532 15.223 -1.608 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.915 13.269 -0.866 1.00 0.62 C ATOM 0 H VAL A 50 2.775 14.278 1.164 1.00 0.63 H new ATOM 0 HA VAL A 50 0.512 13.815 -0.538 1.00 0.60 H new ATOM 0 HB VAL A 50 2.272 13.196 -2.213 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.285 15.438 -2.366 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.550 15.518 -1.978 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.760 15.782 -0.700 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.642 13.516 -1.640 1.00 0.62 H new ATOM 0 HG22 VAL A 50 4.191 13.767 0.063 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.904 12.190 -0.710 1.00 0.62 H new ATOM 831 N LEU A 51 1.614 11.356 1.078 1.00 0.52 N ATOM 832 CA LEU A 51 1.530 9.921 1.305 1.00 0.50 C ATOM 833 C LEU A 51 0.254 9.560 2.057 1.00 0.53 C ATOM 834 O LEU A 51 -0.377 8.543 1.778 1.00 0.55 O ATOM 835 CB LEU A 51 2.749 9.433 2.089 1.00 0.48 C ATOM 836 CG LEU A 51 4.101 9.683 1.417 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.236 9.273 2.341 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.191 8.932 0.094 1.00 0.47 C ATOM 0 H LEU A 51 1.893 11.899 1.895 1.00 0.52 H new ATOM 0 HA LEU A 51 1.510 9.429 0.333 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.751 9.919 3.065 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.642 8.363 2.266 1.00 0.48 H new ATOM 0 HG LEU A 51 4.190 10.750 1.211 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.191 9.457 1.848 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.184 9.855 3.261 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.148 8.213 2.577 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.160 9.123 -0.368 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.079 7.863 0.274 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.398 9.272 -0.572 1.00 0.47 H new ATOM 850 N ARG A 52 -0.135 10.411 2.998 1.00 0.59 N ATOM 851 CA ARG A 52 -1.330 10.167 3.799 1.00 0.66 C ATOM 852 C ARG A 52 -2.601 10.222 2.951 1.00 0.65 C ATOM 853 O ARG A 52 -3.621 9.634 3.315 1.00 0.69 O ATOM 854 CB ARG A 52 -1.414 11.162 4.968 1.00 0.79 C ATOM 855 CG ARG A 52 -1.355 12.626 4.555 1.00 0.97 C ATOM 856 CD ARG A 52 -2.741 13.218 4.347 1.00 1.22 C ATOM 857 NE ARG A 52 -3.534 13.199 5.573 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.874 14.286 6.262 1.00 1.90 C ATOM 859 NH1 ARG A 52 -3.482 15.490 5.865 1.00 2.00 N ATOM 860 NH2 ARG A 52 -4.600 14.160 7.364 1.00 2.61 N ATOM 0 H ARG A 52 0.358 11.275 3.226 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.251 9.159 4.206 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.343 10.988 5.511 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.597 10.960 5.661 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.828 13.197 5.320 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.779 12.720 3.634 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.647 14.244 3.992 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.261 12.658 3.570 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.848 12.294 5.924 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.914 15.590 5.024 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -3.749 16.316 6.401 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -4.894 13.235 7.678 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -4.865 14.988 7.898 1.00 2.61 H new ATOM 874 N GLU A 53 -2.538 10.903 1.813 1.00 0.64 N ATOM 875 CA GLU A 53 -3.702 11.020 0.936 1.00 0.68 C ATOM 876 C GLU A 53 -3.807 9.829 -0.014 1.00 0.65 C ATOM 877 O GLU A 53 -4.701 9.773 -0.862 1.00 0.78 O ATOM 878 CB GLU A 53 -3.657 12.333 0.146 1.00 0.72 C ATOM 879 CG GLU A 53 -2.309 12.635 -0.492 1.00 0.67 C ATOM 880 CD GLU A 53 -2.313 13.941 -1.259 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.591 14.994 -0.646 1.00 1.26 O ATOM 882 OE2 GLU A 53 -2.058 13.924 -2.481 1.00 1.35 O ATOM 0 H GLU A 53 -1.702 11.380 1.476 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.591 11.024 1.567 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.416 12.299 -0.636 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.922 13.154 0.813 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.544 12.674 0.283 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.039 11.822 -1.166 1.00 0.67 H new ATOM 889 N GLN A 54 -2.894 8.879 0.133 1.00 0.57 N ATOM 890 CA GLN A 54 -2.887 7.685 -0.706 1.00 0.58 C ATOM 891 C GLN A 54 -2.946 6.423 0.152 1.00 0.57 C ATOM 892 O GLN A 54 -2.718 5.314 -0.332 1.00 0.60 O ATOM 893 CB GLN A 54 -1.636 7.660 -1.584 1.00 0.57 C ATOM 894 CG GLN A 54 -1.697 8.611 -2.773 1.00 0.64 C ATOM 895 CD GLN A 54 -2.855 8.309 -3.706 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.319 7.174 -3.795 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.325 9.323 -4.415 1.00 0.96 N ATOM 0 H GLN A 54 -2.147 8.911 0.826 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.769 7.713 -1.346 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.770 7.913 -0.973 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.482 6.645 -1.951 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.786 9.635 -2.410 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.762 8.550 -3.330 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -2.913 10.251 -4.313 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.099 9.177 -5.063 1.00 0.96 H new ATOM 906 N ALA A 55 -3.267 6.602 1.425 1.00 0.58 N ATOM 907 CA ALA A 55 -3.350 5.490 2.360 1.00 0.60 C ATOM 908 C ALA A 55 -4.510 4.561 2.016 1.00 0.61 C ATOM 909 O ALA A 55 -5.675 4.960 2.052 1.00 0.68 O ATOM 910 CB ALA A 55 -3.493 6.012 3.779 1.00 0.65 C ATOM 0 H ALA A 55 -3.475 7.512 1.836 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.428 4.913 2.283 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -3.554 5.172 4.471 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.628 6.626 4.030 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -4.399 6.613 3.856 1.00 0.65 H new ATOM 916 N GLY A 56 -4.181 3.323 1.676 1.00 0.59 N ATOM 917 CA GLY A 56 -5.198 2.353 1.323 1.00 0.64 C ATOM 918 C GLY A 56 -5.613 2.464 -0.131 1.00 0.62 C ATOM 919 O GLY A 56 -6.490 1.735 -0.595 1.00 0.66 O ATOM 0 H GLY A 56 -3.224 2.972 1.638 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.822 1.348 1.516 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.071 2.495 1.960 1.00 0.64 H new ATOM 923 N GLY A 57 -4.971 3.370 -0.848 1.00 0.63 N ATOM 924 CA GLY A 57 -5.288 3.571 -2.242 1.00 0.65 C ATOM 925 C GLY A 57 -4.154 3.151 -3.151 1.00 0.59 C ATOM 926 O GLY A 57 -3.092 2.737 -2.680 1.00 0.55 O ATOM 0 H GLY A 57 -4.232 3.973 -0.486 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.184 3.004 -2.495 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.518 4.623 -2.413 1.00 0.65 H new ATOM 930 N ASP A 58 -4.382 3.258 -4.450 1.00 0.65 N ATOM 931 CA ASP A 58 -3.379 2.887 -5.439 1.00 0.62 C ATOM 932 C ASP A 58 -2.720 4.133 -5.996 1.00 0.61 C ATOM 933 O ASP A 58 -3.385 4.999 -6.567 1.00 0.71 O ATOM 934 CB ASP A 58 -4.015 2.072 -6.574 1.00 0.69 C ATOM 935 CG ASP A 58 -2.992 1.517 -7.550 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.235 2.309 -8.147 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.954 0.281 -7.740 1.00 1.32 O ATOM 0 H ASP A 58 -5.257 3.600 -4.847 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.623 2.269 -4.955 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.586 1.248 -6.147 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.721 2.702 -7.115 1.00 0.69 H new ATOM 942 N ALA A 59 -1.412 4.222 -5.824 1.00 0.55 N ATOM 943 CA ALA A 59 -0.657 5.362 -6.308 1.00 0.57 C ATOM 944 C ALA A 59 0.382 4.920 -7.326 1.00 0.54 C ATOM 945 O ALA A 59 1.419 5.565 -7.489 1.00 0.54 O ATOM 946 CB ALA A 59 0.003 6.096 -5.153 1.00 0.60 C ATOM 0 H ALA A 59 -0.850 3.514 -5.351 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.347 6.048 -6.798 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.565 6.948 -5.537 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.762 6.448 -4.461 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.681 5.420 -4.632 1.00 0.60 H new ATOM 952 N THR A 60 0.092 3.820 -8.014 1.00 0.56 N ATOM 953 CA THR A 60 0.995 3.282 -9.022 1.00 0.57 C ATOM 954 C THR A 60 1.284 4.324 -10.092 1.00 0.57 C ATOM 955 O THR A 60 2.422 4.480 -10.533 1.00 0.58 O ATOM 956 CB THR A 60 0.404 2.026 -9.686 1.00 0.64 C ATOM 957 OG1 THR A 60 -0.003 1.094 -8.680 1.00 0.67 O ATOM 958 CG2 THR A 60 1.415 1.371 -10.613 1.00 0.71 C ATOM 0 H THR A 60 -0.766 3.283 -7.890 1.00 0.56 H new ATOM 0 HA THR A 60 1.922 3.011 -8.518 1.00 0.57 H new ATOM 0 HB THR A 60 -0.460 2.327 -10.279 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.732 1.481 -8.152 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.971 0.486 -11.069 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.703 2.075 -11.393 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.297 1.081 -10.042 1.00 0.71 H new ATOM 966 N GLU A 61 0.243 5.054 -10.474 1.00 0.62 N ATOM 967 CA GLU A 61 0.361 6.091 -11.487 1.00 0.67 C ATOM 968 C GLU A 61 1.348 7.166 -11.058 1.00 0.63 C ATOM 969 O GLU A 61 2.172 7.602 -11.848 1.00 0.74 O ATOM 970 CB GLU A 61 -1.005 6.717 -11.778 1.00 0.78 C ATOM 971 CG GLU A 61 -1.867 6.924 -10.546 1.00 0.83 C ATOM 972 CD GLU A 61 -3.136 7.684 -10.861 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.070 7.074 -11.434 1.00 1.48 O ATOM 974 OE2 GLU A 61 -3.196 8.895 -10.559 1.00 1.64 O ATOM 0 H GLU A 61 -0.697 4.944 -10.094 1.00 0.62 H new ATOM 0 HA GLU A 61 0.736 5.625 -12.398 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -0.855 7.679 -12.269 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -1.542 6.080 -12.481 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.122 5.956 -10.116 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.297 7.467 -9.792 1.00 0.83 H new ATOM 981 N ASN A 62 1.276 7.576 -9.798 1.00 0.56 N ATOM 982 CA ASN A 62 2.174 8.607 -9.289 1.00 0.55 C ATOM 983 C ASN A 62 3.598 8.067 -9.198 1.00 0.50 C ATOM 984 O ASN A 62 4.562 8.778 -9.476 1.00 0.50 O ATOM 985 CB ASN A 62 1.709 9.103 -7.917 1.00 0.58 C ATOM 986 CG ASN A 62 2.117 10.541 -7.650 1.00 0.82 C ATOM 987 OD1 ASN A 62 3.217 10.812 -7.178 1.00 1.28 O ATOM 988 ND2 ASN A 62 1.221 11.472 -7.940 1.00 1.32 N ATOM 0 H ASN A 62 0.611 7.215 -9.114 1.00 0.56 H new ATOM 0 HA ASN A 62 2.158 9.448 -9.982 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.624 9.018 -7.852 1.00 0.58 H new ATOM 0 HB3 ASN A 62 2.126 8.460 -7.141 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.434 12.455 -7.772 1.00 1.32 H new ATOM 0 HD22 ASN A 62 0.317 11.206 -8.331 1.00 1.32 H new ATOM 995 N PHE A 63 3.711 6.795 -8.826 1.00 0.48 N ATOM 996 CA PHE A 63 5.003 6.125 -8.696 1.00 0.46 C ATOM 997 C PHE A 63 5.789 6.178 -10.010 1.00 0.49 C ATOM 998 O PHE A 63 6.983 6.499 -10.018 1.00 0.50 O ATOM 999 CB PHE A 63 4.776 4.667 -8.270 1.00 0.48 C ATOM 1000 CG PHE A 63 6.034 3.854 -8.109 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.720 3.845 -6.906 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.523 3.088 -9.158 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.871 3.094 -6.754 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.670 2.334 -9.011 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.345 2.336 -7.809 1.00 0.73 C ATOM 0 H PHE A 63 2.912 6.200 -8.606 1.00 0.48 H new ATOM 0 HA PHE A 63 5.591 6.642 -7.938 1.00 0.46 H new ATOM 0 HB2 PHE A 63 4.232 4.659 -7.326 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.139 4.182 -9.009 1.00 0.48 H new ATOM 0 HD1 PHE A 63 6.352 4.431 -6.077 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.999 3.082 -10.102 1.00 0.70 H new ATOM 0 HE1 PHE A 63 8.399 3.099 -5.812 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.038 1.743 -9.837 1.00 0.77 H new ATOM 0 HZ PHE A 63 9.242 1.747 -7.691 1.00 0.73 H new ATOM 1015 N GLU A 64 5.110 5.875 -11.114 1.00 0.53 N ATOM 1016 CA GLU A 64 5.748 5.872 -12.429 1.00 0.58 C ATOM 1017 C GLU A 64 5.756 7.263 -13.060 1.00 0.57 C ATOM 1018 O GLU A 64 6.595 7.553 -13.911 1.00 0.65 O ATOM 1019 CB GLU A 64 5.062 4.867 -13.363 1.00 0.69 C ATOM 1020 CG GLU A 64 3.544 4.963 -13.375 1.00 1.08 C ATOM 1021 CD GLU A 64 2.889 3.815 -14.118 1.00 1.47 C ATOM 1022 OE1 GLU A 64 3.498 2.726 -14.204 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.759 3.993 -14.622 1.00 1.89 O ATOM 0 H GLU A 64 4.120 5.629 -11.125 1.00 0.53 H new ATOM 0 HA GLU A 64 6.785 5.568 -12.285 1.00 0.58 H new ATOM 0 HB2 GLU A 64 5.433 5.019 -14.377 1.00 0.69 H new ATOM 0 HB3 GLU A 64 5.349 3.858 -13.066 1.00 0.69 H new ATOM 0 HG2 GLU A 64 3.177 4.982 -12.349 1.00 1.08 H new ATOM 0 HG3 GLU A 64 3.248 5.905 -13.837 1.00 1.08 H new ATOM 1030 N ASP A 65 4.825 8.119 -12.644 1.00 0.54 N ATOM 1031 CA ASP A 65 4.746 9.479 -13.172 1.00 0.55 C ATOM 1032 C ASP A 65 5.932 10.305 -12.691 1.00 0.53 C ATOM 1033 O ASP A 65 6.447 11.155 -13.413 1.00 0.58 O ATOM 1034 CB ASP A 65 3.431 10.146 -12.750 1.00 0.57 C ATOM 1035 CG ASP A 65 3.343 11.600 -13.165 1.00 0.69 C ATOM 1036 OD1 ASP A 65 3.431 11.885 -14.376 1.00 0.88 O ATOM 1037 OD2 ASP A 65 3.181 12.470 -12.279 1.00 0.79 O ATOM 0 H ASP A 65 4.117 7.896 -11.945 1.00 0.54 H new ATOM 0 HA ASP A 65 4.774 9.426 -14.260 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.596 9.598 -13.187 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.326 10.076 -11.667 1.00 0.57 H new ATOM 1042 N VAL A 66 6.353 10.057 -11.459 1.00 0.50 N ATOM 1043 CA VAL A 66 7.486 10.769 -10.888 1.00 0.52 C ATOM 1044 C VAL A 66 8.800 10.177 -11.394 1.00 0.50 C ATOM 1045 O VAL A 66 9.635 10.882 -11.961 1.00 0.55 O ATOM 1046 CB VAL A 66 7.461 10.731 -9.343 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.745 11.314 -8.765 1.00 0.67 C ATOM 1048 CG2 VAL A 66 6.242 11.478 -8.808 1.00 0.60 C ATOM 0 H VAL A 66 5.928 9.369 -10.837 1.00 0.50 H new ATOM 0 HA VAL A 66 7.411 11.809 -11.206 1.00 0.52 H new ATOM 0 HB VAL A 66 7.391 9.689 -9.029 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.704 11.276 -7.676 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.598 10.734 -9.116 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.852 12.349 -9.088 1.00 0.67 H new ATOM 0 HG21 VAL A 66 6.241 11.440 -7.719 1.00 0.60 H new ATOM 0 HG22 VAL A 66 6.279 12.517 -9.135 1.00 0.60 H new ATOM 0 HG23 VAL A 66 5.333 11.011 -9.188 1.00 0.60 H new ATOM 1058 N GLY A 67 8.962 8.873 -11.206 1.00 0.50 N ATOM 1059 CA GLY A 67 10.174 8.206 -11.639 1.00 0.54 C ATOM 1060 C GLY A 67 11.100 7.908 -10.480 1.00 0.54 C ATOM 1061 O GLY A 67 11.748 8.805 -9.949 1.00 0.82 O ATOM 0 H GLY A 67 8.274 8.265 -10.761 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.915 7.276 -12.145 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.692 8.831 -12.366 1.00 0.54 H new ATOM 1065 N HIS A 68 11.157 6.645 -10.087 1.00 0.45 N ATOM 1066 CA HIS A 68 11.999 6.228 -8.973 1.00 0.42 C ATOM 1067 C HIS A 68 13.291 5.600 -9.481 1.00 0.47 C ATOM 1068 O HIS A 68 13.282 4.872 -10.479 1.00 0.58 O ATOM 1069 CB HIS A 68 11.253 5.227 -8.086 1.00 0.39 C ATOM 1070 CG HIS A 68 10.246 5.856 -7.167 1.00 0.36 C ATOM 1071 ND1 HIS A 68 9.054 6.418 -7.585 1.00 0.35 N ATOM 1072 CD2 HIS A 68 10.269 5.994 -5.816 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.412 6.870 -6.500 1.00 0.35 C ATOM 1074 NE2 HIS A 68 9.106 6.636 -5.406 1.00 0.40 N ATOM 0 H HIS A 68 10.630 5.889 -10.523 1.00 0.45 H new ATOM 0 HA HIS A 68 12.245 7.112 -8.385 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.746 4.502 -8.722 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.979 4.675 -7.489 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.723 6.478 -8.548 1.00 0.35 H new ATOM 0 HD2 HIS A 68 11.063 5.659 -5.165 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.451 7.362 -6.520 1.00 0.35 H new ATOM 1082 N SER A 69 14.393 5.873 -8.794 1.00 0.45 N ATOM 1083 CA SER A 69 15.690 5.328 -9.179 1.00 0.50 C ATOM 1084 C SER A 69 15.735 3.816 -8.944 1.00 0.50 C ATOM 1085 O SER A 69 14.852 3.252 -8.290 1.00 0.46 O ATOM 1086 CB SER A 69 16.798 6.021 -8.389 1.00 0.55 C ATOM 1087 OG SER A 69 16.621 7.428 -8.396 1.00 1.01 O ATOM 0 H SER A 69 14.415 6.469 -7.967 1.00 0.45 H new ATOM 0 HA SER A 69 15.843 5.510 -10.243 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.801 5.656 -7.362 1.00 0.55 H new ATOM 0 HB3 SER A 69 17.768 5.770 -8.819 1.00 0.55 H new ATOM 0 HG SER A 69 15.868 7.666 -7.815 1.00 1.01 H new ATOM 1093 N THR A 70 16.762 3.169 -9.475 1.00 0.59 N ATOM 1094 CA THR A 70 16.925 1.730 -9.334 1.00 0.64 C ATOM 1095 C THR A 70 17.104 1.337 -7.869 1.00 0.61 C ATOM 1096 O THR A 70 16.502 0.376 -7.398 1.00 0.66 O ATOM 1097 CB THR A 70 18.131 1.247 -10.155 1.00 0.78 C ATOM 1098 OG1 THR A 70 18.251 2.052 -11.337 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.976 -0.219 -10.540 1.00 1.08 C ATOM 0 H THR A 70 17.501 3.623 -10.012 1.00 0.59 H new ATOM 0 HA THR A 70 16.020 1.252 -9.710 1.00 0.64 H new ATOM 0 HB THR A 70 19.031 1.344 -9.547 1.00 0.78 H new ATOM 0 HG1 THR A 70 19.020 1.748 -11.863 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.842 -0.536 -11.120 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.901 -0.826 -9.638 1.00 1.08 H new ATOM 0 HG23 THR A 70 17.073 -0.345 -11.138 1.00 1.08 H new ATOM 1107 N ASP A 71 17.912 2.104 -7.147 1.00 0.60 N ATOM 1108 CA ASP A 71 18.165 1.834 -5.735 1.00 0.61 C ATOM 1109 C ASP A 71 16.901 2.063 -4.913 1.00 0.54 C ATOM 1110 O ASP A 71 16.702 1.449 -3.866 1.00 0.56 O ATOM 1111 CB ASP A 71 19.295 2.727 -5.214 1.00 0.70 C ATOM 1112 CG ASP A 71 19.845 2.249 -3.880 1.00 0.97 C ATOM 1113 OD1 ASP A 71 20.341 1.100 -3.816 1.00 1.38 O ATOM 1114 OD2 ASP A 71 19.792 3.016 -2.894 1.00 1.29 O ATOM 0 H ASP A 71 18.404 2.918 -7.515 1.00 0.60 H new ATOM 0 HA ASP A 71 18.465 0.791 -5.635 1.00 0.61 H new ATOM 0 HB2 ASP A 71 20.101 2.753 -5.947 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.928 3.748 -5.107 1.00 0.70 H new ATOM 1119 N ALA A 72 16.037 2.937 -5.415 1.00 0.48 N ATOM 1120 CA ALA A 72 14.792 3.266 -4.741 1.00 0.44 C ATOM 1121 C ALA A 72 13.783 2.127 -4.848 1.00 0.42 C ATOM 1122 O ALA A 72 13.221 1.695 -3.844 1.00 0.43 O ATOM 1123 CB ALA A 72 14.202 4.542 -5.315 1.00 0.47 C ATOM 0 H ALA A 72 16.180 3.433 -6.295 1.00 0.48 H new ATOM 0 HA ALA A 72 15.016 3.420 -3.685 1.00 0.44 H new ATOM 0 HB1 ALA A 72 13.270 4.776 -4.800 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.907 5.362 -5.179 1.00 0.47 H new ATOM 0 HB3 ALA A 72 14.005 4.406 -6.378 1.00 0.47 H new ATOM 1129 N ARG A 73 13.571 1.630 -6.065 1.00 0.44 N ATOM 1130 CA ARG A 73 12.619 0.542 -6.292 1.00 0.48 C ATOM 1131 C ARG A 73 13.067 -0.746 -5.605 1.00 0.49 C ATOM 1132 O ARG A 73 12.245 -1.592 -5.257 1.00 0.56 O ATOM 1133 CB ARG A 73 12.401 0.305 -7.795 1.00 0.54 C ATOM 1134 CG ARG A 73 13.675 0.015 -8.575 1.00 0.68 C ATOM 1135 CD ARG A 73 13.854 -1.474 -8.835 1.00 0.74 C ATOM 1136 NE ARG A 73 12.921 -1.976 -9.840 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.661 -3.266 -10.043 1.00 1.08 C ATOM 1138 NH1 ARG A 73 13.251 -4.198 -9.302 1.00 1.08 N ATOM 1139 NH2 ARG A 73 11.816 -3.626 -10.994 1.00 1.36 N ATOM 0 H ARG A 73 14.043 1.961 -6.907 1.00 0.44 H new ATOM 0 HA ARG A 73 11.669 0.843 -5.850 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.713 -0.530 -7.923 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.919 1.184 -8.223 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.649 0.549 -9.525 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.534 0.393 -8.021 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.876 -1.663 -9.164 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.712 -2.023 -7.904 1.00 0.74 H new ATOM 0 HE ARG A 73 12.437 -1.294 -10.424 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.909 -3.927 -8.571 1.00 1.08 H new ATOM 0 HH12 ARG A 73 13.046 -5.184 -9.464 1.00 1.08 H new ATOM 0 HH21 ARG A 73 11.365 -2.916 -11.571 1.00 1.36 H new ATOM 0 HH22 ARG A 73 11.616 -4.614 -11.151 1.00 1.36 H new ATOM 1153 N GLU A 74 14.373 -0.886 -5.403 1.00 0.47 N ATOM 1154 CA GLU A 74 14.921 -2.065 -4.747 1.00 0.51 C ATOM 1155 C GLU A 74 14.680 -1.995 -3.244 1.00 0.49 C ATOM 1156 O GLU A 74 14.615 -3.018 -2.564 1.00 0.55 O ATOM 1157 CB GLU A 74 16.416 -2.200 -5.040 1.00 0.57 C ATOM 1158 CG GLU A 74 16.713 -2.667 -6.455 1.00 0.65 C ATOM 1159 CD GLU A 74 16.068 -3.998 -6.772 1.00 0.75 C ATOM 1160 OE1 GLU A 74 16.662 -5.045 -6.444 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.961 -4.008 -7.345 1.00 0.84 O ATOM 0 H GLU A 74 15.071 -0.197 -5.685 1.00 0.47 H new ATOM 0 HA GLU A 74 14.413 -2.945 -5.142 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.900 -1.237 -4.874 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.855 -2.904 -4.333 1.00 0.57 H new ATOM 0 HG2 GLU A 74 16.360 -1.918 -7.163 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.792 -2.748 -6.589 1.00 0.65 H new ATOM 1168 N LEU A 75 14.527 -0.783 -2.735 1.00 0.47 N ATOM 1169 CA LEU A 75 14.281 -0.578 -1.319 1.00 0.48 C ATOM 1170 C LEU A 75 12.852 -0.982 -0.969 1.00 0.43 C ATOM 1171 O LEU A 75 12.582 -1.464 0.130 1.00 0.44 O ATOM 1172 CB LEU A 75 14.522 0.887 -0.948 1.00 0.53 C ATOM 1173 CG LEU A 75 14.437 1.213 0.545 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.616 0.608 1.295 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.380 2.722 0.760 1.00 0.61 C ATOM 0 H LEU A 75 14.569 0.075 -3.284 1.00 0.47 H new ATOM 0 HA LEU A 75 14.970 -1.201 -0.750 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.508 1.177 -1.310 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.795 1.502 -1.478 1.00 0.53 H new ATOM 0 HG LEU A 75 13.521 0.775 0.940 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.537 0.851 2.355 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.610 -0.475 1.170 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.547 1.014 0.898 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.320 2.935 1.827 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.278 3.182 0.348 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.501 3.128 0.259 1.00 0.61 H new ATOM 1187 N SER A 76 11.944 -0.806 -1.924 1.00 0.45 N ATOM 1188 CA SER A 76 10.541 -1.151 -1.730 1.00 0.46 C ATOM 1189 C SER A 76 10.353 -2.665 -1.600 1.00 0.43 C ATOM 1190 O SER A 76 9.294 -3.130 -1.178 1.00 0.45 O ATOM 1191 CB SER A 76 9.711 -0.619 -2.900 1.00 0.55 C ATOM 1192 OG SER A 76 10.310 0.541 -3.452 1.00 0.82 O ATOM 0 H SER A 76 12.157 -0.424 -2.845 1.00 0.45 H new ATOM 0 HA SER A 76 10.202 -0.690 -0.803 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.620 -1.388 -3.667 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.702 -0.387 -2.560 1.00 0.55 H new ATOM 0 HG SER A 76 9.766 0.866 -4.200 1.00 0.82 H new ATOM 1198 N LYS A 77 11.390 -3.428 -1.940 1.00 0.45 N ATOM 1199 CA LYS A 77 11.338 -4.886 -1.866 1.00 0.51 C ATOM 1200 C LYS A 77 11.175 -5.371 -0.427 1.00 0.47 C ATOM 1201 O LYS A 77 10.768 -6.506 -0.192 1.00 0.56 O ATOM 1202 CB LYS A 77 12.598 -5.497 -2.478 1.00 0.63 C ATOM 1203 CG LYS A 77 12.516 -5.683 -3.984 1.00 0.94 C ATOM 1204 CD LYS A 77 13.816 -6.231 -4.549 1.00 1.20 C ATOM 1205 CE LYS A 77 13.644 -6.724 -5.980 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.946 -7.069 -6.611 1.00 1.89 N ATOM 0 H LYS A 77 12.281 -3.058 -2.271 1.00 0.45 H new ATOM 0 HA LYS A 77 10.466 -5.211 -2.434 1.00 0.51 H new ATOM 0 HB2 LYS A 77 13.451 -4.859 -2.245 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.786 -6.464 -2.011 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.699 -6.363 -4.224 1.00 0.94 H new ATOM 0 HG3 LYS A 77 12.286 -4.729 -4.458 1.00 0.94 H new ATOM 0 HD2 LYS A 77 14.581 -5.455 -4.521 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.169 -7.050 -3.922 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.995 -7.600 -5.986 1.00 1.60 H new ATOM 0 HE3 LYS A 77 13.147 -5.955 -6.571 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.854 -7.020 -7.646 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 15.674 -6.396 -6.296 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.222 -8.032 -6.333 1.00 1.89 H new ATOM 1220 N THR A 78 11.494 -4.519 0.538 1.00 0.42 N ATOM 1221 CA THR A 78 11.366 -4.897 1.937 1.00 0.48 C ATOM 1222 C THR A 78 10.064 -4.344 2.528 1.00 0.43 C ATOM 1223 O THR A 78 9.822 -4.440 3.732 1.00 0.53 O ATOM 1224 CB THR A 78 12.582 -4.420 2.774 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.613 -5.101 4.039 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.550 -2.912 3.003 1.00 0.63 C ATOM 0 H THR A 78 11.839 -3.572 0.380 1.00 0.42 H new ATOM 0 HA THR A 78 11.340 -5.986 1.980 1.00 0.48 H new ATOM 0 HB THR A 78 13.483 -4.658 2.209 1.00 0.59 H new ATOM 0 HG1 THR A 78 11.711 -5.124 4.420 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.417 -2.615 3.593 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.571 -2.398 2.042 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.639 -2.644 3.538 1.00 0.63 H new ATOM 1234 N PHE A 79 9.224 -3.776 1.668 1.00 0.36 N ATOM 1235 CA PHE A 79 7.954 -3.201 2.105 1.00 0.38 C ATOM 1236 C PHE A 79 6.776 -4.062 1.659 1.00 0.32 C ATOM 1237 O PHE A 79 5.638 -3.816 2.054 1.00 0.33 O ATOM 1238 CB PHE A 79 7.799 -1.778 1.551 1.00 0.46 C ATOM 1239 CG PHE A 79 8.657 -0.740 2.231 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.423 -1.052 3.348 1.00 1.10 C ATOM 1241 CD2 PHE A 79 8.688 0.559 1.751 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.198 -0.091 3.966 1.00 1.16 C ATOM 1243 CE2 PHE A 79 9.462 1.524 2.369 1.00 1.01 C ATOM 1244 CZ PHE A 79 10.218 1.198 3.477 1.00 0.70 C ATOM 0 H PHE A 79 9.398 -3.701 0.666 1.00 0.36 H new ATOM 0 HA PHE A 79 7.958 -3.166 3.194 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.039 -1.788 0.488 1.00 0.46 H new ATOM 0 HB3 PHE A 79 6.754 -1.480 1.639 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.412 -2.059 3.738 1.00 1.10 H new ATOM 0 HD2 PHE A 79 8.101 0.821 0.884 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.789 -0.349 4.833 1.00 1.16 H new ATOM 0 HE2 PHE A 79 9.475 2.533 1.985 1.00 1.01 H new ATOM 0 HZ PHE A 79 10.824 1.951 3.960 1.00 0.70 H new ATOM 1254 N ILE A 80 7.051 -5.070 0.842 1.00 0.38 N ATOM 1255 CA ILE A 80 5.999 -5.949 0.345 1.00 0.36 C ATOM 1256 C ILE A 80 5.568 -6.951 1.417 1.00 0.33 C ATOM 1257 O ILE A 80 6.390 -7.679 1.978 1.00 0.42 O ATOM 1258 CB ILE A 80 6.436 -6.694 -0.946 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.329 -7.638 -1.430 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.736 -7.459 -0.729 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.176 -6.931 -2.110 1.00 0.72 C ATOM 0 H ILE A 80 7.988 -5.299 0.510 1.00 0.38 H new ATOM 0 HA ILE A 80 5.145 -5.319 0.096 1.00 0.36 H new ATOM 0 HB ILE A 80 6.612 -5.945 -1.718 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.759 -8.361 -2.123 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.946 -8.201 -0.578 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.016 -7.970 -1.650 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.525 -6.762 -0.446 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.598 -8.193 0.065 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.434 -7.665 -2.424 1.00 0.72 H new ATOM 0 HD12 ILE A 80 3.719 -6.228 -1.414 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.544 -6.391 -2.982 1.00 0.72 H new ATOM 1273 N ILE A 81 4.278 -6.958 1.726 1.00 0.28 N ATOM 1274 CA ILE A 81 3.748 -7.880 2.722 1.00 0.32 C ATOM 1275 C ILE A 81 2.677 -8.784 2.115 1.00 0.29 C ATOM 1276 O ILE A 81 2.369 -9.847 2.656 1.00 0.31 O ATOM 1277 CB ILE A 81 3.160 -7.155 3.958 1.00 0.42 C ATOM 1278 CG1 ILE A 81 1.966 -6.264 3.568 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.242 -6.352 4.669 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.334 -4.845 3.192 1.00 0.77 C ATOM 0 H ILE A 81 3.584 -6.341 1.305 1.00 0.28 H new ATOM 0 HA ILE A 81 4.594 -8.481 3.056 1.00 0.32 H new ATOM 0 HB ILE A 81 2.788 -7.910 4.650 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.445 -6.725 2.729 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.264 -6.235 4.402 1.00 0.50 H new ATOM 0 HG21 ILE A 81 3.812 -5.849 5.535 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.037 -7.022 4.996 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.653 -5.609 3.985 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.431 -4.292 2.932 1.00 0.77 H new ATOM 0 HD12 ILE A 81 2.826 -4.361 4.036 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.010 -4.859 2.337 1.00 0.77 H new ATOM 1292 N GLY A 82 2.110 -8.366 0.989 1.00 0.32 N ATOM 1293 CA GLY A 82 1.085 -9.160 0.355 1.00 0.35 C ATOM 1294 C GLY A 82 0.553 -8.529 -0.911 1.00 0.31 C ATOM 1295 O GLY A 82 0.998 -7.455 -1.314 1.00 0.34 O ATOM 0 H GLY A 82 2.343 -7.496 0.509 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.488 -10.146 0.122 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.262 -9.309 1.055 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.404 -9.199 -1.534 1.00 0.30 N ATOM 1300 CA GLU A 83 -1.012 -8.716 -2.766 1.00 0.31 C ATOM 1301 C GLU A 83 -2.526 -8.691 -2.629 1.00 0.32 C ATOM 1302 O GLU A 83 -3.074 -9.182 -1.642 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.626 -9.607 -3.946 1.00 0.37 C ATOM 1304 CG GLU A 83 0.826 -9.472 -4.375 1.00 0.61 C ATOM 1305 CD GLU A 83 1.073 -10.040 -5.758 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.123 -10.592 -6.361 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.212 -9.930 -6.258 1.00 0.86 O ATOM 0 H GLU A 83 -0.780 -10.088 -1.203 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.646 -7.706 -2.950 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.821 -10.646 -3.682 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.268 -9.368 -4.794 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.110 -8.420 -4.361 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.464 -9.984 -3.655 1.00 0.61 H new ATOM 1314 N LEU A 84 -3.195 -8.130 -3.625 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.647 -8.050 -3.622 1.00 0.44 C ATOM 1316 C LEU A 84 -5.248 -9.326 -4.194 1.00 0.40 C ATOM 1317 O LEU A 84 -4.664 -9.951 -5.087 1.00 0.39 O ATOM 1318 CB LEU A 84 -5.123 -6.840 -4.435 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.105 -5.495 -3.699 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.731 -5.623 -2.319 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.688 -4.950 -3.603 1.00 0.87 C ATOM 0 H LEU A 84 -2.753 -7.722 -4.449 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.980 -7.932 -2.591 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.499 -6.755 -5.324 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -6.140 -7.033 -4.777 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.701 -4.787 -4.275 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.706 -4.656 -1.817 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.765 -5.954 -2.418 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -5.171 -6.351 -1.732 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.700 -3.995 -3.077 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.063 -5.657 -3.058 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.285 -4.807 -4.605 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.411 -9.702 -3.674 1.00 0.45 N ATOM 1334 CA HIS A 85 -7.117 -10.902 -4.121 1.00 0.48 C ATOM 1335 C HIS A 85 -7.458 -10.815 -5.606 1.00 0.42 C ATOM 1336 O HIS A 85 -7.697 -9.728 -6.127 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.405 -11.090 -3.309 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.200 -11.781 -1.997 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.204 -12.445 -1.328 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.098 -11.905 -1.227 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.725 -12.949 -0.207 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.448 -12.637 -0.122 1.00 1.10 N ATOM 0 H HIS A 85 -6.891 -9.188 -2.935 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.460 -11.757 -3.965 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.854 -10.114 -3.128 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -9.117 -11.663 -3.903 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.120 -11.501 -1.442 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.285 -13.521 0.518 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -6.823 -12.897 0.641 1.00 1.10 H new ATOM 1351 N PRO A 86 -7.478 -11.960 -6.310 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.801 -12.006 -7.741 1.00 0.44 C ATOM 1353 C PRO A 86 -9.186 -11.431 -8.034 1.00 0.40 C ATOM 1354 O PRO A 86 -9.425 -10.877 -9.109 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.757 -13.501 -8.086 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.806 -14.216 -6.778 1.00 0.57 C ATOM 1357 CD PRO A 86 -7.173 -13.297 -5.774 1.00 0.53 C ATOM 0 HA PRO A 86 -7.106 -11.408 -8.331 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.599 -13.782 -8.718 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.849 -13.750 -8.635 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.834 -14.448 -6.499 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -7.269 -15.163 -6.832 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.592 -13.438 -4.778 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -6.099 -13.465 -5.694 1.00 0.53 H new ATOM 1365 N ASP A 87 -10.089 -11.559 -7.064 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.454 -11.054 -7.201 1.00 0.43 C ATOM 1367 C ASP A 87 -11.459 -9.533 -7.202 1.00 0.41 C ATOM 1368 O ASP A 87 -12.244 -8.904 -7.908 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.340 -11.564 -6.061 1.00 0.55 C ATOM 1370 CG ASP A 87 -12.096 -13.023 -5.735 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -11.205 -13.303 -4.906 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.787 -13.893 -6.305 1.00 1.30 O ATOM 0 H ASP A 87 -9.899 -12.011 -6.170 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.852 -11.418 -8.148 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -12.160 -10.962 -5.170 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -13.387 -11.427 -6.332 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.568 -8.953 -6.409 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.452 -7.503 -6.306 1.00 0.50 C ATOM 1379 C ASP A 88 -9.534 -6.966 -7.397 1.00 0.49 C ATOM 1380 O ASP A 88 -9.501 -5.768 -7.669 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.894 -7.104 -4.936 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.805 -7.474 -3.782 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.937 -6.952 -3.716 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.390 -8.287 -2.925 1.00 1.20 O ATOM 0 H ASP A 88 -9.910 -9.468 -5.824 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.447 -7.075 -6.427 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.926 -7.584 -4.793 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.721 -6.028 -4.922 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.786 -7.872 -8.015 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.843 -7.516 -9.060 1.00 0.51 C ATOM 1391 C ARG A 89 -8.528 -7.405 -10.420 1.00 0.57 C ATOM 1392 O ARG A 89 -8.525 -6.340 -11.035 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.724 -8.555 -9.118 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.503 -8.093 -9.889 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.390 -9.129 -9.841 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.989 -9.448 -8.472 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.745 -9.776 -8.118 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.778 -9.838 -9.030 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.470 -10.044 -6.850 1.00 0.81 N ATOM 0 H ARG A 89 -8.818 -8.870 -7.805 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.424 -6.539 -8.820 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.425 -8.812 -8.102 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -7.109 -9.466 -9.577 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.778 -7.900 -10.926 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -5.144 -7.151 -9.474 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.721 -10.039 -10.342 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.527 -8.758 -10.393 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.703 -9.418 -7.744 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.985 -9.634 -10.008 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.830 -10.089 -8.751 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.208 -9.999 -6.148 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.520 -10.295 -6.576 1.00 0.81 H new ATOM 1413 N SER A 90 -9.124 -8.495 -10.883 1.00 0.50 N ATOM 1414 CA SER A 90 -9.787 -8.495 -12.178 1.00 0.59 C ATOM 1415 C SER A 90 -11.134 -9.211 -12.112 1.00 0.57 C ATOM 1416 O SER A 90 -11.285 -10.322 -12.623 1.00 0.88 O ATOM 1417 CB SER A 90 -8.889 -9.146 -13.234 1.00 0.71 C ATOM 1418 OG SER A 90 -7.643 -8.471 -13.333 1.00 1.16 O ATOM 0 H SER A 90 -9.162 -9.384 -10.385 1.00 0.50 H new ATOM 0 HA SER A 90 -9.972 -7.459 -12.461 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.720 -10.192 -12.977 1.00 0.71 H new ATOM 0 HB3 SER A 90 -9.391 -9.132 -14.201 1.00 0.71 H new ATOM 0 HG SER A 90 -7.088 -8.907 -14.013 1.00 1.16 H new ATOM 1424 N LYS A 91 -12.097 -8.569 -11.461 1.00 0.52 N ATOM 1425 CA LYS A 91 -13.444 -9.114 -11.321 1.00 0.49 C ATOM 1426 C LYS A 91 -14.372 -8.047 -10.751 1.00 0.51 C ATOM 1427 O LYS A 91 -15.312 -7.616 -11.417 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.443 -10.351 -10.415 1.00 0.47 C ATOM 1429 CG LYS A 91 -13.767 -11.648 -11.147 1.00 1.02 C ATOM 1430 CD LYS A 91 -13.359 -12.865 -10.334 1.00 1.09 C ATOM 1431 CE LYS A 91 -11.854 -13.090 -10.374 1.00 1.24 C ATOM 1432 NZ LYS A 91 -11.440 -13.897 -11.554 1.00 1.76 N ATOM 0 H LYS A 91 -11.968 -7.660 -11.017 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.801 -9.416 -12.306 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.464 -10.445 -9.944 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -14.169 -10.205 -9.615 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -14.836 -11.691 -11.357 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -13.253 -11.662 -12.108 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.680 -12.737 -9.300 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -13.869 -13.748 -10.719 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -11.344 -12.127 -10.397 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -11.539 -13.595 -9.461 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -10.408 -14.026 -11.542 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -11.905 -14.826 -11.520 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -11.717 -13.403 -12.427 1.00 1.76 H new ATOM 1446 N LEU A 92 -14.088 -7.630 -9.515 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.871 -6.600 -8.825 1.00 0.55 C ATOM 1448 C LEU A 92 -16.325 -7.031 -8.628 1.00 0.58 C ATOM 1449 O LEU A 92 -17.211 -6.198 -8.430 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.812 -5.260 -9.582 1.00 0.65 C ATOM 1451 CG LEU A 92 -13.577 -4.390 -9.312 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -13.374 -4.186 -7.818 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -12.332 -4.997 -9.945 1.00 0.90 C ATOM 0 H LEU A 92 -13.311 -7.995 -8.965 1.00 0.48 H new ATOM 0 HA LEU A 92 -14.424 -6.465 -7.840 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -14.860 -5.467 -10.651 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -15.701 -4.683 -9.329 1.00 0.65 H new ATOM 0 HG LEU A 92 -13.748 -3.416 -9.769 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -12.493 -3.566 -7.652 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -14.249 -3.693 -7.396 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -13.234 -5.153 -7.334 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -11.472 -4.361 -9.738 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -12.158 -5.989 -9.528 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -12.474 -5.077 -11.023 1.00 0.90 H new ATOM 1465 N SER A 93 -16.561 -8.335 -8.658 1.00 0.52 N ATOM 1466 CA SER A 93 -17.898 -8.881 -8.485 1.00 0.57 C ATOM 1467 C SER A 93 -18.213 -9.039 -6.997 1.00 0.58 C ATOM 1468 O SER A 93 -18.517 -10.134 -6.517 1.00 0.70 O ATOM 1469 CB SER A 93 -17.991 -10.227 -9.211 1.00 0.62 C ATOM 1470 OG SER A 93 -17.116 -10.246 -10.333 1.00 0.70 O ATOM 0 H SER A 93 -15.837 -9.039 -8.802 1.00 0.52 H new ATOM 0 HA SER A 93 -18.632 -8.199 -8.913 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.733 -11.035 -8.527 1.00 0.62 H new ATOM 0 HB3 SER A 93 -19.016 -10.401 -9.538 1.00 0.62 H new ATOM 0 HG SER A 93 -17.184 -11.112 -10.787 1.00 0.70 H new ATOM 1476 N LYS A 94 -18.131 -7.935 -6.267 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.385 -7.939 -4.835 1.00 0.60 C ATOM 1478 C LYS A 94 -19.294 -6.777 -4.444 1.00 0.71 C ATOM 1479 O LYS A 94 -19.284 -5.730 -5.097 1.00 0.82 O ATOM 1480 CB LYS A 94 -17.053 -7.859 -4.076 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.160 -9.072 -4.287 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.734 -8.803 -3.832 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.665 -8.466 -2.348 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.264 -8.287 -1.889 1.00 0.93 N ATOM 0 H LYS A 94 -17.889 -7.020 -6.647 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.893 -8.866 -4.569 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.517 -6.964 -4.392 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.257 -7.749 -3.011 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.564 -9.922 -3.737 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.160 -9.346 -5.342 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.117 -9.679 -4.034 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.318 -7.979 -4.411 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.230 -7.554 -2.155 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.138 -9.262 -1.772 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.260 -8.009 -0.887 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.745 -9.181 -2.003 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.805 -7.546 -2.456 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.115 -6.963 -3.394 1.00 0.78 N ATOM 1499 CA PRO A 95 -21.023 -5.925 -2.905 1.00 0.92 C ATOM 1500 C PRO A 95 -20.288 -4.867 -2.084 1.00 0.95 C ATOM 1501 O PRO A 95 -19.300 -5.171 -1.409 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.000 -6.709 -2.024 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.221 -7.876 -1.531 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.226 -8.210 -2.608 1.00 0.84 C ATOM 0 HA PRO A 95 -21.505 -5.376 -3.714 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.363 -6.099 -1.197 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.874 -7.029 -2.591 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.715 -7.638 -0.596 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.876 -8.724 -1.332 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.264 -8.502 -2.186 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.569 -9.041 -3.224 1.00 0.84 H new ATOM 1512 N MET A 96 -20.763 -3.630 -2.147 1.00 1.06 N ATOM 1513 CA MET A 96 -20.135 -2.544 -1.403 1.00 1.14 C ATOM 1514 C MET A 96 -21.007 -2.119 -0.224 1.00 1.16 C ATOM 1515 O MET A 96 -20.612 -2.296 0.927 1.00 1.25 O ATOM 1516 CB MET A 96 -19.845 -1.348 -2.320 1.00 1.31 C ATOM 1517 CG MET A 96 -19.093 -0.220 -1.628 1.00 1.38 C ATOM 1518 SD MET A 96 -18.374 0.962 -2.786 1.00 1.63 S ATOM 1519 CE MET A 96 -19.819 1.444 -3.726 1.00 1.94 C ATOM 0 H MET A 96 -21.574 -3.354 -2.700 1.00 1.06 H new ATOM 0 HA MET A 96 -19.186 -2.910 -1.011 1.00 1.14 H new ATOM 0 HB2 MET A 96 -19.264 -1.690 -3.176 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.787 -0.961 -2.708 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.773 0.305 -0.957 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.301 -0.644 -1.011 1.00 1.38 H new ATOM 0 HE1 MET A 96 -19.578 2.307 -4.346 1.00 1.94 H new ATOM 0 HE2 MET A 96 -20.132 0.616 -4.362 1.00 1.94 H new ATOM 0 HE3 MET A 96 -20.628 1.702 -3.043 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.195 -1.582 -0.522 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.145 -1.127 0.501 1.00 1.22 C ATOM 1531 C GLU A 97 -22.557 -0.001 1.354 1.00 1.29 C ATOM 1532 O GLU A 97 -21.742 -0.234 2.245 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.583 -2.295 1.392 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.749 -1.965 2.310 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.430 -3.210 2.833 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.960 -3.986 2.010 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -25.435 -3.429 4.064 1.00 2.38 O ATOM 0 H GLU A 97 -22.526 -1.450 -1.478 1.00 1.14 H new ATOM 0 HA GLU A 97 -24.019 -0.733 -0.017 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.859 -3.139 0.759 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.735 -2.615 1.998 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.392 -1.368 3.149 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.474 -1.355 1.770 1.00 1.50 H new ATOM 1544 N THR A 98 -22.985 1.226 1.082 1.00 1.31 N ATOM 1545 CA THR A 98 -22.497 2.380 1.821 1.00 1.40 C ATOM 1546 C THR A 98 -23.471 3.553 1.700 1.00 1.39 C ATOM 1547 O THR A 98 -24.442 3.483 0.942 1.00 1.35 O ATOM 1548 CB THR A 98 -21.093 2.803 1.326 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.553 3.822 2.178 1.00 1.57 O ATOM 1550 CG2 THR A 98 -21.146 3.309 -0.111 1.00 1.37 C ATOM 0 H THR A 98 -23.667 1.445 0.356 1.00 1.31 H new ATOM 0 HA THR A 98 -22.422 2.094 2.870 1.00 1.40 H new ATOM 0 HB THR A 98 -20.448 1.925 1.359 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.664 4.080 1.856 1.00 1.57 H new ATOM 0 HG21 THR A 98 -20.145 3.599 -0.432 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.521 2.519 -0.761 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.810 4.172 -0.169 1.00 1.37 H new ATOM 1558 N LEU A 99 -23.204 4.616 2.463 1.00 1.46 N ATOM 1559 CA LEU A 99 -24.027 5.828 2.465 1.00 1.48 C ATOM 1560 C LEU A 99 -25.480 5.517 2.828 1.00 1.52 C ATOM 1561 O LEU A 99 -26.411 6.106 2.275 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.952 6.528 1.099 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.554 6.986 0.682 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.562 7.479 -0.757 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -22.041 8.072 1.620 1.00 1.61 C ATOM 0 H LEU A 99 -22.408 4.660 3.099 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.631 6.499 3.227 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.337 5.849 0.338 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.612 7.395 1.116 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.879 6.133 0.749 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.559 7.801 -1.037 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.881 6.672 -1.416 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.252 8.318 -0.850 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -21.045 8.384 1.306 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.716 8.928 1.589 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.995 7.682 2.637 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.668 4.612 3.779 1.00 1.60 N ATOM 1578 CA ILE A 100 -27.008 4.223 4.207 1.00 1.68 C ATOM 1579 C ILE A 100 -27.360 4.824 5.564 1.00 1.72 C ATOM 1580 O ILE A 100 -28.323 4.410 6.208 1.00 1.83 O ATOM 1581 CB ILE A 100 -27.146 2.686 4.291 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -26.032 2.095 5.166 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.127 2.074 2.895 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.177 0.609 5.415 1.00 1.79 C ATOM 0 H ILE A 100 -24.912 4.133 4.269 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.698 4.608 3.456 1.00 1.68 H new ATOM 0 HB ILE A 100 -28.103 2.445 4.754 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -25.070 2.282 4.689 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -26.020 2.615 6.124 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.225 0.991 2.971 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.956 2.473 2.311 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.186 2.319 2.403 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.354 0.263 6.040 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.123 0.415 5.920 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.158 0.077 4.464 1.00 1.79 H new ATOM 1596 N THR A 101 -26.581 5.802 5.995 1.00 1.73 N ATOM 1597 CA THR A 101 -26.816 6.443 7.282 1.00 1.77 C ATOM 1598 C THR A 101 -26.604 7.949 7.186 1.00 1.85 C ATOM 1599 O THR A 101 -25.638 8.412 6.577 1.00 1.80 O ATOM 1600 CB THR A 101 -25.877 5.872 8.363 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.740 4.455 8.191 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.408 6.167 9.759 1.00 1.98 C ATOM 0 H THR A 101 -25.783 6.170 5.477 1.00 1.73 H new ATOM 0 HA THR A 101 -27.850 6.241 7.561 1.00 1.77 H new ATOM 0 HB THR A 101 -24.904 6.351 8.255 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.141 4.098 8.880 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.727 5.753 10.502 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.486 7.245 9.898 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.392 5.714 9.877 1.00 1.98 H new ATOM 1610 N THR A 102 -27.510 8.709 7.780 1.00 2.05 N ATOM 1611 CA THR A 102 -27.414 10.153 7.768 1.00 2.18 C ATOM 1612 C THR A 102 -26.520 10.643 8.899 1.00 2.11 C ATOM 1613 O THR A 102 -26.984 10.865 10.015 1.00 2.23 O ATOM 1614 CB THR A 102 -28.806 10.796 7.899 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.698 9.888 8.565 1.00 2.89 O ATOM 1616 CG2 THR A 102 -29.366 11.160 6.534 1.00 2.72 C ATOM 0 H THR A 102 -28.322 8.344 8.278 1.00 2.05 H new ATOM 0 HA THR A 102 -26.976 10.447 6.814 1.00 2.18 H new ATOM 0 HB THR A 102 -28.710 11.710 8.485 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.583 10.301 8.648 1.00 2.89 H new ATOM 0 HG21 THR A 102 -30.350 11.613 6.653 1.00 2.72 H new ATOM 0 HG22 THR A 102 -28.698 11.868 6.044 1.00 2.72 H new ATOM 0 HG23 THR A 102 -29.452 10.261 5.924 1.00 2.72 H new ATOM 1624 N VAL A 103 -25.232 10.785 8.614 1.00 2.05 N ATOM 1625 CA VAL A 103 -24.276 11.246 9.617 1.00 2.08 C ATOM 1626 C VAL A 103 -24.063 12.755 9.528 1.00 2.14 C ATOM 1627 O VAL A 103 -23.224 13.318 10.232 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.916 10.528 9.484 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -23.035 9.070 9.897 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.371 10.642 8.067 1.00 1.94 C ATOM 0 H VAL A 103 -24.824 10.589 7.700 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.704 11.003 10.590 1.00 2.08 H new ATOM 0 HB VAL A 103 -22.211 11.019 10.155 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -22.065 8.583 9.796 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.364 9.011 10.935 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.761 8.569 9.257 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.412 10.127 8.003 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -23.074 10.187 7.369 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -22.236 11.693 7.813 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.830 13.403 8.666 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.730 14.845 8.484 1.00 2.30 C ATOM 1642 C ASP A 104 -25.822 15.546 9.279 1.00 2.65 C ATOM 1643 O ASP A 104 -25.789 16.788 9.381 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.841 15.208 6.999 1.00 2.32 C ATOM 1645 CG ASP A 104 -26.215 14.911 6.422 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -26.626 13.729 6.431 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -26.887 15.852 5.949 1.00 2.82 O ATOM 0 H ASP A 104 -25.532 12.953 8.079 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.757 15.176 8.848 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -24.619 16.268 6.871 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -24.088 14.655 6.437 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.518 9.669 -3.970 1.00 0.46 C HETATM 1654 CHB HEM A 400 11.009 5.296 -2.100 1.00 0.49 C HETATM 1655 CHC HEM A 400 6.299 5.485 -2.868 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.768 9.925 -4.630 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.791 8.446 -3.407 1.00 0.46 C HETATM 1658 C2A HEM A 400 13.115 7.990 -3.050 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.960 6.763 -2.499 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.553 6.472 -2.539 1.00 0.47 C HETATM 1661 CMA HEM A 400 14.027 5.884 -1.939 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.405 8.702 -3.297 1.00 0.61 C HETATM 1663 CBA HEM A 400 15.440 7.816 -4.003 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.657 8.314 -5.428 1.00 0.91 C HETATM 1665 O1A HEM A 400 16.459 9.252 -5.602 1.00 1.48 O HETATM 1666 O2A HEM A 400 15.041 7.750 -6.359 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.683 4.972 -2.151 1.00 0.46 C HETATM 1668 C2B HEM A 400 9.149 3.724 -1.684 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.818 3.769 -1.906 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.547 5.049 -2.508 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.918 2.612 -1.064 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.899 2.781 -1.618 1.00 0.55 C HETATM 1673 CBB HEM A 400 6.358 2.475 -0.222 1.00 1.07 C HETATM 1674 C1C HEM A 400 6.016 6.709 -3.424 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.692 7.153 -3.769 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.816 8.412 -4.250 1.00 0.40 C HETATM 1677 C4C HEM A 400 6.225 8.730 -4.208 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.428 6.366 -3.655 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.791 9.236 -4.672 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.466 9.430 -3.928 1.00 0.52 C HETATM 1681 C1D HEM A 400 8.109 10.243 -4.600 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.656 11.505 -5.043 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.997 11.430 -4.858 1.00 0.47 C HETATM 1684 C4D HEM A 400 10.263 10.123 -4.309 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.894 12.673 -5.582 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.998 12.508 -5.120 1.00 0.55 C HETATM 1687 CBD HEM A 400 11.178 12.811 -6.608 1.00 0.70 C HETATM 1688 CGD HEM A 400 10.799 14.263 -6.872 1.00 1.09 C HETATM 1689 O1D HEM A 400 10.598 14.616 -8.048 1.00 1.52 O HETATM 1690 O2D HEM A 400 10.697 15.040 -5.898 1.00 1.79 O HETATM 1691 NA HEM A 400 10.834 7.505 -3.096 1.00 0.42 N HETATM 1692 NB HEM A 400 8.699 5.789 -2.657 1.00 0.40 N HETATM 1693 NC HEM A 400 6.960 7.680 -3.698 1.00 0.35 N HETATM 1694 ND HEM A 400 9.101 9.397 -4.148 1.00 0.37 N HETATM 1695 FE HEM A 400 8.898 7.591 -3.408 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.615 5.283 -1.128 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.842 6.499 -1.557 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 14.405 5.227 -2.722 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.932 2.604 -1.463 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 9.432 1.663 -1.290 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.954 2.752 0.016 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.646 5.306 -3.789 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.726 6.692 -4.423 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.988 6.525 -2.670 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 8.421 13.595 -5.338 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 6.899 12.695 -5.137 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.805 12.581 -6.665 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 5.632 1.674 -0.082 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 6.698 3.057 0.634 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.708 10.101 -4.331 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 2.282 8.897 -2.995 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 15.098 6.781 -4.017 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 16.382 7.833 -3.454 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.814 9.046 -2.347 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 14.217 9.588 -3.903 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.555 12.145 -7.205 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 12.211 12.632 -6.906 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.958 12.214 -4.696 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.687 13.417 -4.605 1.00 0.55 H new HETATM 0 HHA HEM A 400 12.353 10.326 -4.162 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.683 4.564 -1.679 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.471 4.812 -2.701 1.00 0.41 H new HETATM 0 HHD HEM A 400 6.089 10.671 -5.015 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.532 2.175 -2.446 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.935 9.788 -5.601 1.00 0.45 H new