USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 770 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 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 180:sc= -0.212 USER MOD Set 1.2: A 95 HEM CMB :methyl -30:sc= -6.12! (180deg=-9.69!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -131:sc= -0.0159 (180deg=-0.213) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 1 ASP N :NH3+ -123:sc= 0.295 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00113 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0.0535 (180deg=0.0422) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -0.627 F(o=-3,f=-0.63) USER MOD Single : A 16 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.8) USER MOD Single : A 17 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 19:sc= 0.514 USER MOD Single : A 21 THR OG1 : rot 4:sc= 0.796 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.0724 F(o=-0.92,f=-0.072) USER MOD Single : A 27 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.35) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -90:sc= -0.157 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 0.0247 (180deg=0.013) USER MOD Single : A 49 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 121:sc= 0.0824 USER MOD Single : A 57 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.83) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -35:sc= 0.624 USER MOD Single : A 80 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.9) USER MOD Single : A 85 SER OG : rot 24:sc= 0.0861 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0163) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 138:sc= 0.352 (180deg=-0.0628) USER MOD Single : A 91 MET CE :methyl -155:sc= -0.329 (180deg=-1.37) USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.00131 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -1.3 (180deg=-1.3) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -6.55! (180deg=-9.36!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.885 (180deg=-0.885) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -20.067 -2.945 9.567 1.00 8.82 N ATOM 2 CA ASP A 1 -19.481 -2.651 8.250 1.00 7.92 C ATOM 3 C ASP A 1 -18.141 -3.376 8.168 1.00 7.06 C ATOM 4 O ASP A 1 -17.754 -3.975 9.171 1.00 7.52 O ATOM 5 CB ASP A 1 -19.383 -1.139 8.055 1.00 8.61 C ATOM 6 CG ASP A 1 -19.454 -0.828 6.572 1.00 9.20 C ATOM 7 OD1 ASP A 1 -18.413 -1.006 5.912 1.00 9.58 O ATOM 8 OD2 ASP A 1 -20.574 -0.525 6.118 1.00 9.77 O ATOM 0 H1 ASP A 1 -21.006 -3.374 9.441 1.00 8.82 H new ATOM 0 H2 ASP A 1 -19.450 -3.606 10.082 1.00 8.82 H new ATOM 0 H3 ASP A 1 -20.159 -2.063 10.111 1.00 8.82 H new ATOM 0 HA ASP A 1 -20.105 -3.012 7.432 1.00 7.92 H new ATOM 0 HB2 ASP A 1 -20.193 -0.638 8.584 1.00 8.61 H new ATOM 0 HB3 ASP A 1 -18.449 -0.765 8.474 1.00 8.61 H new ATOM 15 N LYS A 2 -17.449 -3.394 7.029 1.00 6.33 N ATOM 16 CA LYS A 2 -16.128 -4.002 6.945 1.00 6.14 C ATOM 17 C LYS A 2 -15.223 -3.012 6.230 1.00 5.61 C ATOM 18 O LYS A 2 -15.671 -2.342 5.308 1.00 5.59 O ATOM 19 CB LYS A 2 -16.203 -5.366 6.230 1.00 6.83 C ATOM 20 CG LYS A 2 -16.328 -6.534 7.227 1.00 7.77 C ATOM 21 CD LYS A 2 -15.340 -7.670 6.909 1.00 9.19 C ATOM 22 CE LYS A 2 -15.122 -8.545 8.151 1.00 10.54 C ATOM 23 NZ LYS A 2 -15.970 -9.755 8.163 1.00 11.60 N ATOM 0 H LYS A 2 -17.784 -2.993 6.153 1.00 6.33 H new ATOM 0 HA LYS A 2 -15.721 -4.210 7.935 1.00 6.14 H new ATOM 0 HB2 LYS A 2 -17.057 -5.374 5.553 1.00 6.83 H new ATOM 0 HB3 LYS A 2 -15.311 -5.505 5.619 1.00 6.83 H new ATOM 0 HG2 LYS A 2 -16.148 -6.169 8.238 1.00 7.77 H new ATOM 0 HG3 LYS A 2 -17.346 -6.922 7.205 1.00 7.77 H new ATOM 0 HD2 LYS A 2 -15.724 -8.278 6.090 1.00 9.19 H new ATOM 0 HD3 LYS A 2 -14.389 -7.253 6.577 1.00 9.19 H new ATOM 0 HE2 LYS A 2 -14.074 -8.842 8.200 1.00 10.54 H new ATOM 0 HE3 LYS A 2 -15.328 -7.955 9.044 1.00 10.54 H new ATOM 0 HZ1 LYS A 2 -15.778 -10.305 9.025 1.00 11.60 H new ATOM 0 HZ2 LYS A 2 -16.972 -9.477 8.146 1.00 11.60 H new ATOM 0 HZ3 LYS A 2 -15.757 -10.336 7.327 1.00 11.60 H new ATOM 37 N ASP A 3 -13.957 -2.939 6.648 1.00 5.92 N ATOM 38 CA ASP A 3 -12.957 -2.002 6.133 1.00 6.16 C ATOM 39 C ASP A 3 -12.462 -2.482 4.772 1.00 4.83 C ATOM 40 O ASP A 3 -11.300 -2.840 4.593 1.00 5.26 O ATOM 41 CB ASP A 3 -11.784 -1.876 7.124 1.00 8.00 C ATOM 42 CG ASP A 3 -12.048 -0.878 8.250 1.00 9.13 C ATOM 43 OD1 ASP A 3 -13.090 -0.190 8.187 1.00 8.93 O ATOM 44 OD2 ASP A 3 -11.200 -0.831 9.167 1.00 10.55 O ATOM 0 H ASP A 3 -13.589 -3.550 7.377 1.00 5.92 H new ATOM 0 HA ASP A 3 -13.411 -1.018 6.017 1.00 6.16 H new ATOM 0 HB2 ASP A 3 -11.576 -2.855 7.557 1.00 8.00 H new ATOM 0 HB3 ASP A 3 -10.890 -1.572 6.581 1.00 8.00 H new ATOM 49 N VAL A 4 -13.365 -2.551 3.800 1.00 3.53 N ATOM 50 CA VAL A 4 -13.079 -3.093 2.503 1.00 2.35 C ATOM 51 C VAL A 4 -13.939 -2.309 1.532 1.00 1.54 C ATOM 52 O VAL A 4 -15.127 -2.576 1.396 1.00 1.81 O ATOM 53 CB VAL A 4 -13.363 -4.601 2.446 1.00 1.64 C ATOM 54 CG1 VAL A 4 -12.543 -5.164 1.296 1.00 2.01 C ATOM 55 CG2 VAL A 4 -12.952 -5.366 3.709 1.00 2.47 C ATOM 0 H VAL A 4 -14.325 -2.224 3.906 1.00 3.53 H new ATOM 0 HA VAL A 4 -12.023 -2.997 2.252 1.00 2.35 H new ATOM 0 HB VAL A 4 -14.440 -4.723 2.332 1.00 1.64 H new ATOM 0 HG11 VAL A 4 -12.715 -6.238 1.218 1.00 2.01 H new ATOM 0 HG12 VAL A 4 -12.841 -4.680 0.366 1.00 2.01 H new ATOM 0 HG13 VAL A 4 -11.485 -4.978 1.479 1.00 2.01 H new ATOM 0 HG21 VAL A 4 -13.187 -6.423 3.586 1.00 2.47 H new ATOM 0 HG22 VAL A 4 -11.881 -5.249 3.873 1.00 2.47 H new ATOM 0 HG23 VAL A 4 -13.496 -4.971 4.567 1.00 2.47 H new ATOM 65 N LYS A 5 -13.372 -1.293 0.881 1.00 1.26 N ATOM 66 CA LYS A 5 -14.158 -0.533 -0.075 1.00 0.77 C ATOM 67 C LYS A 5 -14.118 -1.130 -1.479 1.00 0.91 C ATOM 68 O LYS A 5 -14.782 -0.589 -2.352 1.00 1.95 O ATOM 69 CB LYS A 5 -13.706 0.926 -0.109 1.00 1.33 C ATOM 70 CG LYS A 5 -14.896 1.901 -0.081 1.00 1.84 C ATOM 71 CD LYS A 5 -14.836 2.894 -1.244 1.00 2.72 C ATOM 72 CE LYS A 5 -15.424 4.262 -0.896 1.00 3.28 C ATOM 73 NZ LYS A 5 -14.578 4.975 0.086 1.00 3.60 N ATOM 0 H LYS A 5 -12.405 -0.989 0.995 1.00 1.26 H new ATOM 0 HA LYS A 5 -15.192 -0.582 0.265 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -13.056 1.124 0.743 1.00 1.33 H new ATOM 0 HB3 LYS A 5 -13.115 1.101 -1.008 1.00 1.33 H new ATOM 0 HG2 LYS A 5 -15.829 1.339 -0.129 1.00 1.84 H new ATOM 0 HG3 LYS A 5 -14.900 2.445 0.863 1.00 1.84 H new ATOM 0 HD2 LYS A 5 -13.798 3.019 -1.554 1.00 2.72 H new ATOM 0 HD3 LYS A 5 -15.375 2.480 -2.096 1.00 2.72 H new ATOM 0 HE2 LYS A 5 -15.518 4.861 -1.802 1.00 3.28 H new ATOM 0 HE3 LYS A 5 -16.428 4.137 -0.491 1.00 3.28 H new ATOM 0 HZ1 LYS A 5 -15.172 5.333 0.861 1.00 3.60 H new ATOM 0 HZ2 LYS A 5 -13.866 4.322 0.470 1.00 3.60 H new ATOM 0 HZ3 LYS A 5 -14.101 5.772 -0.381 1.00 3.60 H new ATOM 87 N TYR A 6 -13.365 -2.221 -1.672 1.00 0.75 N ATOM 88 CA TYR A 6 -13.160 -2.942 -2.917 1.00 0.66 C ATOM 89 C TYR A 6 -12.853 -2.004 -4.101 1.00 0.56 C ATOM 90 O TYR A 6 -13.765 -1.501 -4.744 1.00 0.66 O ATOM 91 CB TYR A 6 -14.369 -3.851 -3.179 1.00 0.77 C ATOM 92 CG TYR A 6 -14.785 -4.725 -2.006 1.00 1.26 C ATOM 93 CD1 TYR A 6 -15.712 -4.231 -1.070 1.00 2.83 C ATOM 94 CD2 TYR A 6 -14.248 -6.016 -1.837 1.00 1.74 C ATOM 95 CE1 TYR A 6 -16.081 -5.004 0.043 1.00 3.45 C ATOM 96 CE2 TYR A 6 -14.611 -6.796 -0.722 1.00 2.15 C ATOM 97 CZ TYR A 6 -15.518 -6.282 0.234 1.00 2.66 C ATOM 98 OH TYR A 6 -15.805 -6.980 1.370 1.00 3.42 O ATOM 0 H TYR A 6 -12.850 -2.646 -0.901 1.00 0.75 H new ATOM 0 HA TYR A 6 -12.272 -3.566 -2.817 1.00 0.66 H new ATOM 0 HB2 TYR A 6 -15.216 -3.229 -3.467 1.00 0.77 H new ATOM 0 HB3 TYR A 6 -14.143 -4.494 -4.029 1.00 0.77 H new ATOM 0 HD1 TYR A 6 -16.143 -3.250 -1.208 1.00 2.83 H new ATOM 0 HD2 TYR A 6 -13.555 -6.410 -2.566 1.00 1.74 H new ATOM 0 HE1 TYR A 6 -16.797 -4.619 0.754 1.00 3.45 H new ATOM 0 HE2 TYR A 6 -14.197 -7.786 -0.597 1.00 2.15 H new ATOM 0 HH TYR A 6 -15.341 -7.843 1.350 1.00 3.42 H new ATOM 108 N TYR A 7 -11.579 -1.765 -4.433 1.00 0.40 N ATOM 109 CA TYR A 7 -11.183 -0.895 -5.515 1.00 0.34 C ATOM 110 C TYR A 7 -10.652 -1.741 -6.672 1.00 0.39 C ATOM 111 O TYR A 7 -10.182 -2.865 -6.471 1.00 0.46 O ATOM 112 CB TYR A 7 -10.117 0.045 -4.949 1.00 0.32 C ATOM 113 CG TYR A 7 -10.694 1.233 -4.197 1.00 0.42 C ATOM 114 CD1 TYR A 7 -11.187 2.337 -4.913 1.00 1.87 C ATOM 115 CD2 TYR A 7 -10.736 1.248 -2.791 1.00 1.59 C ATOM 116 CE1 TYR A 7 -11.700 3.464 -4.246 1.00 1.99 C ATOM 117 CE2 TYR A 7 -11.228 2.376 -2.111 1.00 1.61 C ATOM 118 CZ TYR A 7 -11.716 3.490 -2.834 1.00 0.80 C ATOM 119 OH TYR A 7 -12.086 4.621 -2.163 1.00 1.02 O ATOM 0 H TYR A 7 -10.790 -2.184 -3.941 1.00 0.40 H new ATOM 0 HA TYR A 7 -12.015 -0.310 -5.907 1.00 0.34 H new ATOM 0 HB2 TYR A 7 -9.466 -0.518 -4.279 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -9.495 0.410 -5.766 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -11.172 2.320 -5.993 1.00 1.87 H new ATOM 0 HD2 TYR A 7 -10.389 0.391 -2.233 1.00 1.59 H new ATOM 0 HE1 TYR A 7 -12.079 4.304 -4.810 1.00 1.99 H new ATOM 0 HE2 TYR A 7 -11.233 2.392 -1.031 1.00 1.61 H new ATOM 0 HH TYR A 7 -12.040 4.459 -1.198 1.00 1.02 H new ATOM 129 N THR A 8 -10.719 -1.199 -7.888 1.00 0.45 N ATOM 130 CA THR A 8 -10.246 -1.877 -9.086 1.00 0.56 C ATOM 131 C THR A 8 -8.810 -1.455 -9.346 1.00 0.55 C ATOM 132 O THR A 8 -8.399 -0.388 -8.894 1.00 0.56 O ATOM 133 CB THR A 8 -11.120 -1.488 -10.284 1.00 0.69 C ATOM 134 OG1 THR A 8 -10.935 -0.126 -10.603 1.00 0.95 O ATOM 135 CG2 THR A 8 -12.594 -1.718 -9.966 1.00 0.69 C ATOM 0 H THR A 8 -11.106 -0.272 -8.066 1.00 0.45 H new ATOM 0 HA THR A 8 -10.300 -2.957 -8.946 1.00 0.56 H new ATOM 0 HB THR A 8 -10.826 -2.109 -11.130 1.00 0.69 H new ATOM 0 HG1 THR A 8 -11.497 0.110 -11.370 1.00 0.95 H new ATOM 0 HG21 THR A 8 -13.200 -1.437 -10.827 1.00 0.69 H new ATOM 0 HG22 THR A 8 -12.757 -2.771 -9.736 1.00 0.69 H new ATOM 0 HG23 THR A 8 -12.880 -1.111 -9.107 1.00 0.69 H new ATOM 143 N LEU A 9 -8.045 -2.226 -10.121 1.00 0.57 N ATOM 144 CA LEU A 9 -6.649 -1.870 -10.348 1.00 0.57 C ATOM 145 C LEU A 9 -6.541 -0.474 -10.948 1.00 0.56 C ATOM 146 O LEU A 9 -5.621 0.264 -10.609 1.00 0.57 O ATOM 147 CB LEU A 9 -5.935 -2.872 -11.258 1.00 0.68 C ATOM 148 CG LEU A 9 -5.912 -4.316 -10.743 1.00 0.74 C ATOM 149 CD1 LEU A 9 -5.610 -4.425 -9.246 1.00 0.93 C ATOM 150 CD2 LEU A 9 -7.223 -5.035 -11.030 1.00 0.95 C ATOM 0 H LEU A 9 -8.359 -3.076 -10.589 1.00 0.57 H new ATOM 0 HA LEU A 9 -6.159 -1.891 -9.375 1.00 0.57 H new ATOM 0 HB2 LEU A 9 -6.417 -2.859 -12.236 1.00 0.68 H new ATOM 0 HB3 LEU A 9 -4.908 -2.538 -11.404 1.00 0.68 H new ATOM 0 HG LEU A 9 -5.097 -4.794 -11.287 1.00 0.74 H new ATOM 0 HD11 LEU A 9 -5.609 -5.474 -8.950 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -4.632 -3.989 -9.039 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -6.373 -3.889 -8.681 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.169 -6.055 -10.651 1.00 0.95 H new ATOM 0 HD22 LEU A 9 -8.042 -4.508 -10.540 1.00 0.95 H new ATOM 0 HD23 LEU A 9 -7.398 -5.057 -12.106 1.00 0.95 H new ATOM 162 N GLU A 10 -7.495 -0.102 -11.806 1.00 0.60 N ATOM 163 CA GLU A 10 -7.591 1.242 -12.349 1.00 0.64 C ATOM 164 C GLU A 10 -7.637 2.272 -11.229 1.00 0.58 C ATOM 165 O GLU A 10 -6.864 3.224 -11.261 1.00 0.63 O ATOM 166 CB GLU A 10 -8.815 1.357 -13.269 1.00 0.77 C ATOM 167 CG GLU A 10 -8.373 1.174 -14.723 1.00 1.27 C ATOM 168 CD GLU A 10 -9.555 1.117 -15.690 1.00 1.80 C ATOM 169 OE1 GLU A 10 -10.549 1.832 -15.436 1.00 2.47 O ATOM 170 OE2 GLU A 10 -9.433 0.365 -16.681 1.00 2.67 O ATOM 0 H GLU A 10 -8.223 -0.733 -12.141 1.00 0.60 H new ATOM 0 HA GLU A 10 -6.701 1.445 -12.945 1.00 0.64 H new ATOM 0 HB2 GLU A 10 -9.556 0.602 -13.004 1.00 0.77 H new ATOM 0 HB3 GLU A 10 -9.291 2.329 -13.141 1.00 0.77 H new ATOM 0 HG2 GLU A 10 -7.715 1.996 -15.006 1.00 1.27 H new ATOM 0 HG3 GLU A 10 -7.792 0.256 -14.810 1.00 1.27 H new ATOM 177 N GLU A 11 -8.483 2.085 -10.215 1.00 0.54 N ATOM 178 CA GLU A 11 -8.536 3.016 -9.113 1.00 0.50 C ATOM 179 C GLU A 11 -7.213 3.065 -8.374 1.00 0.43 C ATOM 180 O GLU A 11 -6.744 4.157 -8.075 1.00 0.43 O ATOM 181 CB GLU A 11 -9.665 2.644 -8.162 1.00 0.53 C ATOM 182 CG GLU A 11 -11.043 2.890 -8.779 1.00 1.73 C ATOM 183 CD GLU A 11 -11.191 4.334 -9.312 1.00 1.74 C ATOM 184 OE1 GLU A 11 -10.999 5.295 -8.537 1.00 1.32 O ATOM 185 OE2 GLU A 11 -11.397 4.517 -10.532 1.00 3.08 O ATOM 0 H GLU A 11 -9.131 1.301 -10.144 1.00 0.54 H new ATOM 0 HA GLU A 11 -8.730 4.009 -9.517 1.00 0.50 H new ATOM 0 HB2 GLU A 11 -9.574 1.593 -7.886 1.00 0.53 H new ATOM 0 HB3 GLU A 11 -9.571 3.224 -7.244 1.00 0.53 H new ATOM 0 HG2 GLU A 11 -11.206 2.185 -9.594 1.00 1.73 H new ATOM 0 HG3 GLU A 11 -11.814 2.699 -8.032 1.00 1.73 H new ATOM 192 N ILE A 12 -6.552 1.937 -8.104 1.00 0.42 N ATOM 193 CA ILE A 12 -5.253 2.036 -7.466 1.00 0.43 C ATOM 194 C ILE A 12 -4.276 2.860 -8.325 1.00 0.42 C ATOM 195 O ILE A 12 -3.511 3.669 -7.800 1.00 0.46 O ATOM 196 CB ILE A 12 -4.737 0.633 -7.119 1.00 0.52 C ATOM 197 CG1 ILE A 12 -5.665 -0.002 -6.064 1.00 0.58 C ATOM 198 CG2 ILE A 12 -3.304 0.758 -6.569 1.00 0.70 C ATOM 199 CD1 ILE A 12 -6.557 -1.158 -6.501 1.00 0.64 C ATOM 0 H ILE A 12 -6.879 0.993 -8.307 1.00 0.42 H new ATOM 0 HA ILE A 12 -5.345 2.581 -6.526 1.00 0.43 H new ATOM 0 HB ILE A 12 -4.729 -0.001 -8.005 1.00 0.52 H new ATOM 0 HG12 ILE A 12 -5.044 -0.352 -5.240 1.00 0.58 H new ATOM 0 HG13 ILE A 12 -6.307 0.784 -5.667 1.00 0.58 H new ATOM 0 HG21 ILE A 12 -2.923 -0.232 -6.318 1.00 0.70 H new ATOM 0 HG22 ILE A 12 -2.663 1.212 -7.324 1.00 0.70 H new ATOM 0 HG23 ILE A 12 -3.310 1.382 -5.675 1.00 0.70 H new ATOM 0 HD11 ILE A 12 -7.151 -1.500 -5.653 1.00 0.64 H new ATOM 0 HD12 ILE A 12 -7.221 -0.824 -7.298 1.00 0.64 H new ATOM 0 HD13 ILE A 12 -5.938 -1.978 -6.864 1.00 0.64 H new ATOM 211 N LYS A 13 -4.370 2.752 -9.653 1.00 0.44 N ATOM 212 CA LYS A 13 -3.577 3.523 -10.614 1.00 0.59 C ATOM 213 C LYS A 13 -4.169 4.924 -10.856 1.00 0.73 C ATOM 214 O LYS A 13 -3.884 5.557 -11.871 1.00 1.31 O ATOM 215 CB LYS A 13 -3.477 2.710 -11.917 1.00 0.68 C ATOM 216 CG LYS A 13 -2.642 1.435 -11.692 1.00 0.86 C ATOM 217 CD LYS A 13 -3.179 0.193 -12.420 1.00 0.93 C ATOM 218 CE LYS A 13 -2.495 -0.052 -13.767 1.00 1.41 C ATOM 219 NZ LYS A 13 -3.443 0.056 -14.898 1.00 2.49 N ATOM 0 H LYS A 13 -5.019 2.106 -10.102 1.00 0.44 H new ATOM 0 HA LYS A 13 -2.578 3.691 -10.210 1.00 0.59 H new ATOM 0 HB2 LYS A 13 -4.475 2.442 -12.263 1.00 0.68 H new ATOM 0 HB3 LYS A 13 -3.021 3.318 -12.698 1.00 0.68 H new ATOM 0 HG2 LYS A 13 -1.620 1.621 -12.021 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -2.600 1.226 -10.623 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -3.042 -0.682 -11.784 1.00 0.93 H new ATOM 0 HD3 LYS A 13 -4.251 0.307 -12.578 1.00 0.93 H new ATOM 0 HE2 LYS A 13 -1.688 0.669 -13.900 1.00 1.41 H new ATOM 0 HE3 LYS A 13 -2.041 -1.043 -13.768 1.00 1.41 H new ATOM 0 HZ1 LYS A 13 -2.939 -0.117 -15.791 1.00 2.49 H new ATOM 0 HZ2 LYS A 13 -4.200 -0.649 -14.785 1.00 2.49 H new ATOM 0 HZ3 LYS A 13 -3.858 1.010 -14.914 1.00 2.49 H new ATOM 233 N LYS A 14 -5.006 5.410 -9.937 1.00 0.48 N ATOM 234 CA LYS A 14 -5.548 6.764 -9.868 1.00 0.60 C ATOM 235 C LYS A 14 -5.300 7.365 -8.479 1.00 0.72 C ATOM 236 O LYS A 14 -5.726 8.486 -8.213 1.00 1.08 O ATOM 237 CB LYS A 14 -7.048 6.746 -10.215 1.00 0.69 C ATOM 238 CG LYS A 14 -7.257 6.387 -11.693 1.00 1.69 C ATOM 239 CD LYS A 14 -8.688 5.954 -12.028 1.00 2.39 C ATOM 240 CE LYS A 14 -9.654 7.121 -12.235 1.00 2.89 C ATOM 241 NZ LYS A 14 -10.320 7.532 -10.978 1.00 3.55 N ATOM 0 H LYS A 14 -5.344 4.827 -9.171 1.00 0.48 H new ATOM 0 HA LYS A 14 -5.040 7.394 -10.597 1.00 0.60 H new ATOM 0 HB2 LYS A 14 -7.564 6.023 -9.583 1.00 0.69 H new ATOM 0 HB3 LYS A 14 -7.487 7.722 -10.007 1.00 0.69 H new ATOM 0 HG2 LYS A 14 -6.995 7.249 -12.307 1.00 1.69 H new ATOM 0 HG3 LYS A 14 -6.572 5.583 -11.962 1.00 1.69 H new ATOM 0 HD2 LYS A 14 -8.671 5.344 -12.931 1.00 2.39 H new ATOM 0 HD3 LYS A 14 -9.064 5.322 -11.224 1.00 2.39 H new ATOM 0 HE2 LYS A 14 -9.110 7.970 -12.649 1.00 2.89 H new ATOM 0 HE3 LYS A 14 -10.410 6.838 -12.968 1.00 2.89 H new ATOM 0 HZ1 LYS A 14 -11.026 8.268 -11.184 1.00 3.55 H new ATOM 0 HZ2 LYS A 14 -10.791 6.710 -10.550 1.00 3.55 H new ATOM 0 HZ3 LYS A 14 -9.611 7.908 -10.316 1.00 3.55 H new ATOM 255 N HIS A 15 -4.577 6.663 -7.599 1.00 0.60 N ATOM 256 CA HIS A 15 -4.205 7.140 -6.274 1.00 0.81 C ATOM 257 C HIS A 15 -2.676 7.075 -6.147 1.00 1.05 C ATOM 258 O HIS A 15 -2.093 6.829 -5.105 1.00 2.43 O ATOM 259 CB HIS A 15 -4.956 6.324 -5.222 1.00 1.09 C ATOM 260 CG HIS A 15 -6.458 6.480 -5.288 1.00 1.02 C ATOM 261 ND1 HIS A 15 -7.353 5.497 -5.605 1.00 1.23 N flip ATOM 262 CD2 HIS A 15 -7.185 7.619 -5.014 1.00 1.05 C flip ATOM 263 CE1 HIS A 15 -8.639 6.032 -5.529 1.00 1.30 C flip ATOM 264 NE2 HIS A 15 -8.487 7.315 -5.176 1.00 1.14 N flip ATOM 0 H HIS A 15 -4.229 5.725 -7.799 1.00 0.60 H new ATOM 0 HA HIS A 15 -4.491 8.180 -6.114 1.00 0.81 H new ATOM 0 HB2 HIS A 15 -4.704 5.271 -5.344 1.00 1.09 H new ATOM 0 HB3 HIS A 15 -4.612 6.621 -4.231 1.00 1.09 H new ATOM 0 HD1 HIS A 15 -7.120 4.536 -5.855 1.00 1.23 H new ATOM 0 HD2 HIS A 15 -6.784 8.579 -4.723 1.00 1.05 H new ATOM 0 HE1 HIS A 15 -9.569 5.516 -5.717 1.00 1.30 H new ATOM 272 N ASN A 16 -1.971 7.293 -7.244 1.00 1.13 N ATOM 273 CA ASN A 16 -0.510 7.306 -7.259 1.00 1.15 C ATOM 274 C ASN A 16 -0.011 8.746 -7.135 1.00 1.11 C ATOM 275 O ASN A 16 0.635 9.264 -8.045 1.00 1.65 O ATOM 276 CB ASN A 16 0.024 6.587 -8.506 1.00 1.25 C ATOM 277 CG ASN A 16 -0.755 6.956 -9.756 1.00 1.82 C ATOM 278 OD1 ASN A 16 -1.654 6.228 -10.146 1.00 3.31 O ATOM 279 ND2 ASN A 16 -0.493 8.108 -10.354 1.00 2.35 N ATOM 0 H ASN A 16 -2.394 7.467 -8.156 1.00 1.13 H new ATOM 0 HA ASN A 16 -0.123 6.754 -6.402 1.00 1.15 H new ATOM 0 HB2 ASN A 16 1.075 6.839 -8.647 1.00 1.25 H new ATOM 0 HB3 ASN A 16 -0.028 5.509 -8.352 1.00 1.25 H new ATOM 0 HD21 ASN A 16 -1.047 8.403 -11.158 1.00 2.35 H new ATOM 0 HD22 ASN A 16 0.263 8.700 -10.011 1.00 2.35 H new ATOM 286 N HIS A 17 -0.317 9.412 -6.016 1.00 0.86 N ATOM 287 CA HIS A 17 0.062 10.805 -5.805 1.00 1.02 C ATOM 288 C HIS A 17 0.487 11.011 -4.358 1.00 1.31 C ATOM 289 O HIS A 17 0.113 10.229 -3.490 1.00 2.46 O ATOM 290 CB HIS A 17 -1.129 11.716 -6.111 1.00 1.15 C ATOM 291 CG HIS A 17 -1.756 11.468 -7.457 1.00 1.26 C ATOM 292 ND1 HIS A 17 -1.325 11.977 -8.661 1.00 2.43 N ATOM 293 CD2 HIS A 17 -2.834 10.661 -7.703 1.00 1.26 C ATOM 294 CE1 HIS A 17 -2.136 11.484 -9.613 1.00 3.11 C ATOM 295 NE2 HIS A 17 -3.064 10.675 -9.078 1.00 2.33 N ATOM 0 H HIS A 17 -0.832 8.999 -5.238 1.00 0.86 H new ATOM 0 HA HIS A 17 0.892 11.050 -6.468 1.00 1.02 H new ATOM 0 HB2 HIS A 17 -1.886 11.581 -5.338 1.00 1.15 H new ATOM 0 HB3 HIS A 17 -0.802 12.755 -6.059 1.00 1.15 H new ATOM 0 HD2 HIS A 17 -3.403 10.113 -6.966 1.00 1.26 H new ATOM 0 HE1 HIS A 17 -2.052 11.708 -10.666 1.00 3.11 H new ATOM 0 HE2 HIS A 17 -3.794 10.169 -9.579 1.00 2.33 H new ATOM 303 N SER A 18 1.158 12.119 -4.046 1.00 1.05 N ATOM 304 CA SER A 18 1.588 12.408 -2.684 1.00 1.24 C ATOM 305 C SER A 18 0.415 12.734 -1.748 1.00 1.13 C ATOM 306 O SER A 18 0.599 12.803 -0.538 1.00 2.05 O ATOM 307 CB SER A 18 2.585 13.565 -2.736 1.00 1.56 C ATOM 308 OG SER A 18 2.032 14.625 -3.493 1.00 2.06 O ATOM 0 H SER A 18 1.416 12.834 -4.726 1.00 1.05 H new ATOM 0 HA SER A 18 2.058 11.517 -2.269 1.00 1.24 H new ATOM 0 HB2 SER A 18 2.817 13.906 -1.727 1.00 1.56 H new ATOM 0 HB3 SER A 18 3.522 13.233 -3.184 1.00 1.56 H new ATOM 0 HG SER A 18 2.668 15.370 -3.527 1.00 2.06 H new ATOM 314 N LYS A 19 -0.798 12.908 -2.286 1.00 0.83 N ATOM 315 CA LYS A 19 -1.997 13.178 -1.493 1.00 0.89 C ATOM 316 C LYS A 19 -2.815 11.914 -1.254 1.00 0.88 C ATOM 317 O LYS A 19 -3.761 11.915 -0.473 1.00 1.40 O ATOM 318 CB LYS A 19 -2.847 14.258 -2.177 1.00 1.25 C ATOM 319 CG LYS A 19 -3.389 13.810 -3.544 1.00 3.22 C ATOM 320 CD LYS A 19 -4.156 14.938 -4.237 1.00 4.02 C ATOM 321 CE LYS A 19 -5.579 15.054 -3.680 1.00 4.80 C ATOM 322 NZ LYS A 19 -6.261 16.270 -4.174 1.00 5.79 N ATOM 0 H LYS A 19 -0.973 12.865 -3.290 1.00 0.83 H new ATOM 0 HA LYS A 19 -1.679 13.543 -0.516 1.00 0.89 H new ATOM 0 HB2 LYS A 19 -3.682 14.522 -1.528 1.00 1.25 H new ATOM 0 HB3 LYS A 19 -2.247 15.159 -2.306 1.00 1.25 H new ATOM 0 HG2 LYS A 19 -2.562 13.488 -4.177 1.00 3.22 H new ATOM 0 HG3 LYS A 19 -4.045 12.949 -3.413 1.00 3.22 H new ATOM 0 HD2 LYS A 19 -3.628 15.881 -4.097 1.00 4.02 H new ATOM 0 HD3 LYS A 19 -4.195 14.751 -5.310 1.00 4.02 H new ATOM 0 HE2 LYS A 19 -6.154 14.173 -3.964 1.00 4.80 H new ATOM 0 HE3 LYS A 19 -5.543 15.074 -2.591 1.00 4.80 H new ATOM 0 HZ1 LYS A 19 -7.221 16.315 -3.777 1.00 5.79 H new ATOM 0 HZ2 LYS A 19 -5.725 17.112 -3.881 1.00 5.79 H new ATOM 0 HZ3 LYS A 19 -6.317 16.239 -5.212 1.00 5.79 H new ATOM 336 N SER A 20 -2.476 10.808 -1.907 1.00 0.60 N ATOM 337 CA SER A 20 -3.234 9.571 -1.816 1.00 0.62 C ATOM 338 C SER A 20 -2.322 8.397 -2.112 1.00 0.68 C ATOM 339 O SER A 20 -2.795 7.476 -2.740 1.00 1.59 O ATOM 340 CB SER A 20 -4.408 9.645 -2.806 1.00 0.80 C ATOM 341 OG SER A 20 -5.465 10.405 -2.252 1.00 1.43 O ATOM 0 H SER A 20 -1.661 10.747 -2.518 1.00 0.60 H new ATOM 0 HA SER A 20 -3.634 9.432 -0.812 1.00 0.62 H new ATOM 0 HB2 SER A 20 -4.077 10.096 -3.741 1.00 0.80 H new ATOM 0 HB3 SER A 20 -4.758 8.640 -3.043 1.00 0.80 H new ATOM 0 HG SER A 20 -5.122 10.954 -1.516 1.00 1.43 H new ATOM 347 N THR A 21 -1.047 8.438 -1.712 1.00 0.54 N ATOM 348 CA THR A 21 -0.030 7.420 -1.939 1.00 0.50 C ATOM 349 C THR A 21 -0.561 6.030 -1.610 1.00 0.48 C ATOM 350 O THR A 21 -0.409 5.522 -0.501 1.00 0.52 O ATOM 351 CB THR A 21 1.210 7.759 -1.106 1.00 0.49 C ATOM 352 OG1 THR A 21 1.760 8.974 -1.566 1.00 0.66 O ATOM 353 CG2 THR A 21 2.310 6.705 -1.207 1.00 0.50 C ATOM 0 H THR A 21 -0.681 9.234 -1.190 1.00 0.54 H new ATOM 0 HA THR A 21 0.243 7.411 -2.994 1.00 0.50 H new ATOM 0 HB THR A 21 0.877 7.815 -0.070 1.00 0.49 H new ATOM 0 HG1 THR A 21 1.185 9.350 -2.265 1.00 0.66 H new ATOM 0 HG21 THR A 21 3.160 7.006 -0.594 1.00 0.50 H new ATOM 0 HG22 THR A 21 1.929 5.747 -0.854 1.00 0.50 H new ATOM 0 HG23 THR A 21 2.628 6.609 -2.245 1.00 0.50 H new ATOM 361 N TRP A 22 -1.183 5.410 -2.601 1.00 0.52 N ATOM 362 CA TRP A 22 -1.671 4.060 -2.504 1.00 0.55 C ATOM 363 C TRP A 22 -0.632 3.135 -3.065 1.00 0.58 C ATOM 364 O TRP A 22 0.381 3.579 -3.597 1.00 0.59 O ATOM 365 CB TRP A 22 -2.953 3.938 -3.307 1.00 0.64 C ATOM 366 CG TRP A 22 -4.154 4.427 -2.589 1.00 0.50 C ATOM 367 CD1 TRP A 22 -4.187 5.304 -1.566 1.00 0.52 C ATOM 368 CD2 TRP A 22 -5.524 4.047 -2.832 1.00 0.44 C ATOM 369 NE1 TRP A 22 -5.490 5.537 -1.194 1.00 0.44 N ATOM 370 CE2 TRP A 22 -6.361 4.812 -1.974 1.00 0.44 C ATOM 371 CE3 TRP A 22 -6.124 3.133 -3.715 1.00 0.53 C ATOM 372 CZ2 TRP A 22 -7.751 4.718 -2.028 1.00 0.54 C ATOM 373 CZ3 TRP A 22 -7.519 3.029 -3.788 1.00 0.64 C ATOM 374 CH2 TRP A 22 -8.313 3.850 -2.974 1.00 0.66 C ATOM 0 H TRP A 22 -1.361 5.845 -3.506 1.00 0.52 H new ATOM 0 HA TRP A 22 -1.871 3.802 -1.464 1.00 0.55 H new ATOM 0 HB2 TRP A 22 -2.844 4.497 -4.237 1.00 0.64 H new ATOM 0 HB3 TRP A 22 -3.103 2.893 -3.579 1.00 0.64 H new ATOM 0 HD1 TRP A 22 -3.320 5.756 -1.107 1.00 0.52 H new ATOM 0 HE1 TRP A 22 -5.773 6.164 -0.441 1.00 0.44 H new ATOM 0 HE3 TRP A 22 -5.506 2.507 -4.341 1.00 0.53 H new ATOM 0 HZ2 TRP A 22 -8.375 5.296 -1.362 1.00 0.54 H new ATOM 0 HZ3 TRP A 22 -7.979 2.324 -4.464 1.00 0.64 H new ATOM 0 HH2 TRP A 22 -9.387 3.812 -3.079 1.00 0.66 H new ATOM 385 N LEU A 23 -0.910 1.844 -2.962 1.00 0.63 N ATOM 386 CA LEU A 23 -0.083 0.784 -3.483 1.00 0.64 C ATOM 387 C LEU A 23 -0.862 -0.527 -3.345 1.00 0.73 C ATOM 388 O LEU A 23 -1.909 -0.571 -2.690 1.00 0.82 O ATOM 389 CB LEU A 23 1.294 0.841 -2.792 1.00 0.56 C ATOM 390 CG LEU A 23 1.256 1.023 -1.263 1.00 0.56 C ATOM 391 CD1 LEU A 23 0.948 -0.300 -0.602 1.00 0.64 C ATOM 392 CD2 LEU A 23 2.622 1.498 -0.763 1.00 0.51 C ATOM 0 H LEU A 23 -1.750 1.501 -2.495 1.00 0.63 H new ATOM 0 HA LEU A 23 0.140 0.883 -4.545 1.00 0.64 H new ATOM 0 HB2 LEU A 23 1.834 -0.078 -3.019 1.00 0.56 H new ATOM 0 HB3 LEU A 23 1.866 1.662 -3.225 1.00 0.56 H new ATOM 0 HG LEU A 23 0.489 1.758 -1.018 1.00 0.56 H new ATOM 0 HD11 LEU A 23 0.922 -0.169 0.480 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -0.020 -0.663 -0.947 1.00 0.64 H new ATOM 0 HD13 LEU A 23 1.720 -1.025 -0.861 1.00 0.64 H new ATOM 0 HD21 LEU A 23 2.589 1.625 0.319 1.00 0.51 H new ATOM 0 HD22 LEU A 23 3.380 0.758 -1.019 1.00 0.51 H new ATOM 0 HD23 LEU A 23 2.871 2.450 -1.233 1.00 0.51 H new ATOM 404 N ILE A 24 -0.368 -1.598 -3.956 1.00 0.76 N ATOM 405 CA ILE A 24 -0.935 -2.928 -3.888 1.00 0.81 C ATOM 406 C ILE A 24 0.082 -3.696 -3.082 1.00 0.80 C ATOM 407 O ILE A 24 1.116 -4.116 -3.603 1.00 0.77 O ATOM 408 CB ILE A 24 -1.008 -3.538 -5.301 1.00 0.87 C ATOM 409 CG1 ILE A 24 -2.155 -2.877 -6.026 1.00 0.72 C ATOM 410 CG2 ILE A 24 -1.355 -5.031 -5.309 1.00 1.04 C ATOM 411 CD1 ILE A 24 -1.861 -2.683 -7.523 1.00 2.18 C ATOM 0 H ILE A 24 0.472 -1.555 -4.534 1.00 0.76 H new ATOM 0 HA ILE A 24 -1.939 -2.941 -3.465 1.00 0.81 H new ATOM 0 HB ILE A 24 -0.027 -3.391 -5.752 1.00 0.87 H new ATOM 0 HG12 ILE A 24 -3.054 -3.483 -5.909 1.00 0.72 H new ATOM 0 HG13 ILE A 24 -2.362 -1.909 -5.570 1.00 0.72 H new ATOM 0 HG21 ILE A 24 -1.389 -5.391 -6.337 1.00 1.04 H new ATOM 0 HG22 ILE A 24 -0.596 -5.584 -4.755 1.00 1.04 H new ATOM 0 HG23 ILE A 24 -2.327 -5.181 -4.840 1.00 1.04 H new ATOM 0 HD11 ILE A 24 -2.715 -2.204 -8.002 1.00 2.18 H new ATOM 0 HD12 ILE A 24 -0.978 -2.055 -7.642 1.00 2.18 H new ATOM 0 HD13 ILE A 24 -1.681 -3.653 -7.987 1.00 2.18 H new ATOM 423 N LEU A 25 -0.170 -3.829 -1.792 1.00 0.89 N ATOM 424 CA LEU A 25 0.583 -4.756 -0.997 1.00 0.88 C ATOM 425 C LEU A 25 -0.277 -5.989 -0.887 1.00 1.08 C ATOM 426 O LEU A 25 -1.235 -6.005 -0.126 1.00 1.50 O ATOM 427 CB LEU A 25 0.933 -4.120 0.347 1.00 0.83 C ATOM 428 CG LEU A 25 2.261 -3.389 0.228 1.00 0.64 C ATOM 429 CD1 LEU A 25 2.439 -2.413 1.385 1.00 0.73 C ATOM 430 CD2 LEU A 25 3.417 -4.364 0.218 1.00 0.60 C ATOM 0 H LEU A 25 -0.885 -3.308 -1.285 1.00 0.89 H new ATOM 0 HA LEU A 25 1.542 -5.027 -1.438 1.00 0.88 H new ATOM 0 HB2 LEU A 25 0.149 -3.426 0.649 1.00 0.83 H new ATOM 0 HB3 LEU A 25 0.995 -4.886 1.120 1.00 0.83 H new ATOM 0 HG LEU A 25 2.252 -2.839 -0.713 1.00 0.64 H new ATOM 0 HD11 LEU A 25 3.395 -1.899 1.284 1.00 0.73 H new ATOM 0 HD12 LEU A 25 1.631 -1.682 1.372 1.00 0.73 H new ATOM 0 HD13 LEU A 25 2.419 -2.959 2.328 1.00 0.73 H new ATOM 0 HD21 LEU A 25 4.355 -3.815 0.132 1.00 0.60 H new ATOM 0 HD22 LEU A 25 3.416 -4.939 1.144 1.00 0.60 H new ATOM 0 HD23 LEU A 25 3.314 -5.042 -0.630 1.00 0.60 H new ATOM 442 N HIS A 26 0.066 -7.026 -1.647 1.00 1.03 N ATOM 443 CA HIS A 26 -0.703 -8.251 -1.682 1.00 1.24 C ATOM 444 C HIS A 26 -2.047 -7.965 -2.375 1.00 1.57 C ATOM 445 O HIS A 26 -2.270 -6.924 -2.977 1.00 3.34 O ATOM 446 CB HIS A 26 -0.819 -8.869 -0.262 1.00 1.28 C ATOM 447 CG HIS A 26 0.484 -8.910 0.512 1.00 1.35 C ATOM 448 ND1 HIS A 26 0.985 -7.919 1.316 1.00 1.85 N flip ATOM 449 CD2 HIS A 26 1.378 -9.959 0.552 1.00 1.51 C flip ATOM 450 CE1 HIS A 26 2.211 -8.354 1.823 1.00 2.30 C flip ATOM 451 NE2 HIS A 26 2.403 -9.591 1.343 1.00 2.07 N flip ATOM 0 H HIS A 26 0.886 -7.033 -2.253 1.00 1.03 H new ATOM 0 HA HIS A 26 -0.200 -9.017 -2.272 1.00 1.24 H new ATOM 0 HB2 HIS A 26 -1.550 -8.298 0.311 1.00 1.28 H new ATOM 0 HB3 HIS A 26 -1.206 -9.884 -0.351 1.00 1.28 H new ATOM 0 HD2 HIS A 26 1.275 -10.905 0.041 1.00 1.51 H new ATOM 0 HE1 HIS A 26 2.874 -7.803 2.473 1.00 2.30 H new ATOM 0 HE2 HIS A 26 3.215 -10.173 1.549 1.00 2.07 H new ATOM 459 N HIS A 27 -2.948 -8.927 -2.282 1.00 0.69 N ATOM 460 CA HIS A 27 -4.363 -8.967 -2.612 1.00 0.82 C ATOM 461 C HIS A 27 -5.172 -8.047 -1.704 1.00 0.69 C ATOM 462 O HIS A 27 -6.310 -8.365 -1.392 1.00 0.77 O ATOM 463 CB HIS A 27 -4.878 -10.421 -2.555 1.00 0.97 C ATOM 464 CG HIS A 27 -4.621 -11.171 -1.268 1.00 1.90 C ATOM 465 ND1 HIS A 27 -3.579 -12.048 -1.047 1.00 2.33 N ATOM 466 CD2 HIS A 27 -5.424 -11.192 -0.155 1.00 3.52 C ATOM 467 CE1 HIS A 27 -3.746 -12.575 0.180 1.00 3.22 C ATOM 468 NE2 HIS A 27 -4.849 -12.080 0.762 1.00 4.03 N ATOM 0 H HIS A 27 -2.658 -9.835 -1.918 1.00 0.69 H new ATOM 0 HA HIS A 27 -4.492 -8.599 -3.630 1.00 0.82 H new ATOM 0 HB2 HIS A 27 -5.953 -10.411 -2.737 1.00 0.97 H new ATOM 0 HB3 HIS A 27 -4.422 -10.978 -3.373 1.00 0.97 H new ATOM 0 HD2 HIS A 27 -6.333 -10.627 -0.013 1.00 3.52 H new ATOM 0 HE1 HIS A 27 -3.083 -13.297 0.634 1.00 3.22 H new ATOM 0 HE2 HIS A 27 -5.200 -12.307 1.692 1.00 4.03 H new ATOM 476 N LYS A 28 -4.621 -6.920 -1.256 1.00 0.62 N ATOM 477 CA LYS A 28 -5.351 -5.925 -0.501 1.00 0.52 C ATOM 478 C LYS A 28 -4.767 -4.574 -0.866 1.00 0.44 C ATOM 479 O LYS A 28 -3.611 -4.481 -1.275 1.00 0.58 O ATOM 480 CB LYS A 28 -5.245 -6.232 0.997 1.00 0.72 C ATOM 481 CG LYS A 28 -6.585 -6.757 1.526 1.00 1.17 C ATOM 482 CD LYS A 28 -6.364 -7.823 2.597 1.00 1.41 C ATOM 483 CE LYS A 28 -7.603 -7.919 3.486 1.00 2.00 C ATOM 484 NZ LYS A 28 -7.272 -8.563 4.771 1.00 2.58 N ATOM 0 H LYS A 28 -3.643 -6.677 -1.413 1.00 0.62 H new ATOM 0 HA LYS A 28 -6.415 -5.928 -0.739 1.00 0.52 H new ATOM 0 HB2 LYS A 28 -4.463 -6.971 1.170 1.00 0.72 H new ATOM 0 HB3 LYS A 28 -4.959 -5.332 1.541 1.00 0.72 H new ATOM 0 HG2 LYS A 28 -7.166 -5.933 1.941 1.00 1.17 H new ATOM 0 HG3 LYS A 28 -7.167 -7.175 0.705 1.00 1.17 H new ATOM 0 HD2 LYS A 28 -6.164 -8.787 2.129 1.00 1.41 H new ATOM 0 HD3 LYS A 28 -5.490 -7.573 3.199 1.00 1.41 H new ATOM 0 HE2 LYS A 28 -8.006 -6.922 3.666 1.00 2.00 H new ATOM 0 HE3 LYS A 28 -8.379 -8.490 2.976 1.00 2.00 H new ATOM 0 HZ1 LYS A 28 -8.126 -8.619 5.361 1.00 2.58 H new ATOM 0 HZ2 LYS A 28 -6.909 -9.522 4.596 1.00 2.58 H new ATOM 0 HZ3 LYS A 28 -6.547 -8.003 5.263 1.00 2.58 H new ATOM 498 N VAL A 29 -5.567 -3.521 -0.770 1.00 0.39 N ATOM 499 CA VAL A 29 -5.155 -2.226 -1.198 1.00 0.42 C ATOM 500 C VAL A 29 -4.779 -1.444 0.039 1.00 0.44 C ATOM 501 O VAL A 29 -5.473 -1.511 1.055 1.00 0.53 O ATOM 502 CB VAL A 29 -6.337 -1.541 -1.862 1.00 0.34 C ATOM 503 CG1 VAL A 29 -5.776 -0.458 -2.736 1.00 1.39 C ATOM 504 CG2 VAL A 29 -7.294 -2.445 -2.634 1.00 1.01 C ATOM 0 H VAL A 29 -6.514 -3.558 -0.392 1.00 0.39 H new ATOM 0 HA VAL A 29 -4.319 -2.287 -1.895 1.00 0.42 H new ATOM 0 HB VAL A 29 -6.976 -1.150 -1.070 1.00 0.34 H new ATOM 0 HG11 VAL A 29 -6.591 0.065 -3.236 1.00 1.39 H new ATOM 0 HG12 VAL A 29 -5.213 0.248 -2.125 1.00 1.39 H new ATOM 0 HG13 VAL A 29 -5.115 -0.899 -3.483 1.00 1.39 H new ATOM 0 HG21 VAL A 29 -8.096 -1.844 -3.063 1.00 1.01 H new ATOM 0 HG22 VAL A 29 -6.752 -2.950 -3.433 1.00 1.01 H new ATOM 0 HG23 VAL A 29 -7.718 -3.187 -1.958 1.00 1.01 H new ATOM 514 N TYR A 30 -3.717 -0.663 -0.061 1.00 0.54 N ATOM 515 CA TYR A 30 -3.150 -0.005 1.075 1.00 0.57 C ATOM 516 C TYR A 30 -2.892 1.449 0.709 1.00 0.57 C ATOM 517 O TYR A 30 -2.718 1.777 -0.467 1.00 0.62 O ATOM 518 CB TYR A 30 -1.874 -0.772 1.374 1.00 0.70 C ATOM 519 CG TYR A 30 -2.049 -2.033 2.191 1.00 0.61 C ATOM 520 CD1 TYR A 30 -2.074 -1.932 3.585 1.00 1.58 C ATOM 521 CD2 TYR A 30 -2.120 -3.305 1.584 1.00 2.14 C ATOM 522 CE1 TYR A 30 -2.078 -3.099 4.358 1.00 1.66 C ATOM 523 CE2 TYR A 30 -2.071 -4.472 2.371 1.00 2.07 C ATOM 524 CZ TYR A 30 -2.007 -4.367 3.771 1.00 0.61 C ATOM 525 OH TYR A 30 -1.879 -5.465 4.569 1.00 0.75 O ATOM 0 H TYR A 30 -3.232 -0.475 -0.939 1.00 0.54 H new ATOM 0 HA TYR A 30 -3.794 0.005 1.955 1.00 0.57 H new ATOM 0 HB2 TYR A 30 -1.399 -1.035 0.429 1.00 0.70 H new ATOM 0 HB3 TYR A 30 -1.188 -0.110 1.902 1.00 0.70 H new ATOM 0 HD1 TYR A 30 -2.090 -0.963 4.061 1.00 1.58 H new ATOM 0 HD2 TYR A 30 -2.212 -3.384 0.511 1.00 2.14 H new ATOM 0 HE1 TYR A 30 -2.137 -3.019 5.433 1.00 1.66 H new ATOM 0 HE2 TYR A 30 -2.083 -5.444 1.900 1.00 2.07 H new ATOM 0 HH TYR A 30 -1.844 -6.271 4.013 1.00 0.75 H new ATOM 535 N ASP A 31 -2.853 2.307 1.725 1.00 0.58 N ATOM 536 CA ASP A 31 -2.753 3.744 1.600 1.00 0.53 C ATOM 537 C ASP A 31 -1.854 4.212 2.707 1.00 0.44 C ATOM 538 O ASP A 31 -2.180 4.081 3.885 1.00 0.56 O ATOM 539 CB ASP A 31 -4.105 4.408 1.793 1.00 0.59 C ATOM 540 CG ASP A 31 -4.040 5.900 1.482 1.00 0.65 C ATOM 541 OD1 ASP A 31 -2.920 6.390 1.223 1.00 1.82 O ATOM 542 OD2 ASP A 31 -5.118 6.533 1.426 1.00 1.52 O ATOM 0 H ASP A 31 -2.892 1.998 2.696 1.00 0.58 H new ATOM 0 HA ASP A 31 -2.377 3.999 0.609 1.00 0.53 H new ATOM 0 HB2 ASP A 31 -4.842 3.932 1.147 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -4.440 4.263 2.820 1.00 0.59 H new ATOM 547 N LEU A 32 -0.680 4.686 2.328 1.00 0.39 N ATOM 548 CA LEU A 32 0.299 5.103 3.292 1.00 0.38 C ATOM 549 C LEU A 32 0.455 6.613 3.204 1.00 0.30 C ATOM 550 O LEU A 32 1.444 7.130 3.699 1.00 0.42 O ATOM 551 CB LEU A 32 1.622 4.365 3.080 1.00 0.55 C ATOM 552 CG LEU A 32 1.552 2.971 2.442 1.00 0.49 C ATOM 553 CD1 LEU A 32 2.980 2.430 2.438 1.00 0.60 C ATOM 554 CD2 LEU A 32 0.673 1.965 3.183 1.00 0.58 C ATOM 0 H LEU A 32 -0.390 4.788 1.356 1.00 0.39 H new ATOM 0 HA LEU A 32 -0.032 4.848 4.299 1.00 0.38 H new ATOM 0 HB2 LEU A 32 2.262 4.990 2.457 1.00 0.55 H new ATOM 0 HB3 LEU A 32 2.115 4.270 4.048 1.00 0.55 H new ATOM 0 HG LEU A 32 1.106 3.086 1.454 1.00 0.49 H new ATOM 0 HD11 LEU A 32 2.991 1.435 1.993 1.00 0.60 H new ATOM 0 HD12 LEU A 32 3.619 3.095 1.857 1.00 0.60 H new ATOM 0 HD13 LEU A 32 3.351 2.374 3.462 1.00 0.60 H new ATOM 0 HD21 LEU A 32 0.688 1.011 2.656 1.00 0.58 H new ATOM 0 HD22 LEU A 32 1.053 1.826 4.195 1.00 0.58 H new ATOM 0 HD23 LEU A 32 -0.350 2.339 3.228 1.00 0.58 H new ATOM 566 N THR A 33 -0.491 7.341 2.603 1.00 0.29 N ATOM 567 CA THR A 33 -0.435 8.796 2.507 1.00 0.26 C ATOM 568 C THR A 33 -0.156 9.416 3.868 1.00 0.27 C ATOM 569 O THR A 33 0.778 10.196 4.022 1.00 0.38 O ATOM 570 CB THR A 33 -1.752 9.320 1.903 1.00 0.36 C ATOM 571 OG1 THR A 33 -1.493 9.795 0.616 1.00 0.94 O ATOM 572 CG2 THR A 33 -2.392 10.513 2.602 1.00 0.70 C ATOM 0 H THR A 33 -1.319 6.933 2.169 1.00 0.29 H new ATOM 0 HA THR A 33 0.386 9.084 1.850 1.00 0.26 H new ATOM 0 HB THR A 33 -2.427 8.468 1.980 1.00 0.36 H new ATOM 0 HG1 THR A 33 -1.258 10.745 0.659 1.00 0.94 H new ATOM 0 HG21 THR A 33 -3.311 10.788 2.084 1.00 0.70 H new ATOM 0 HG22 THR A 33 -2.622 10.249 3.634 1.00 0.70 H new ATOM 0 HG23 THR A 33 -1.702 11.356 2.588 1.00 0.70 H new ATOM 580 N LYS A 34 -0.950 9.064 4.883 1.00 0.34 N ATOM 581 CA LYS A 34 -0.793 9.691 6.188 1.00 0.42 C ATOM 582 C LYS A 34 0.353 9.034 6.959 1.00 0.40 C ATOM 583 O LYS A 34 0.707 9.484 8.039 1.00 0.49 O ATOM 584 CB LYS A 34 -2.139 9.659 6.933 1.00 0.54 C ATOM 585 CG LYS A 34 -2.358 10.896 7.821 1.00 1.15 C ATOM 586 CD LYS A 34 -2.058 10.610 9.293 1.00 1.06 C ATOM 587 CE LYS A 34 -2.259 11.866 10.138 1.00 1.89 C ATOM 588 NZ LYS A 34 -1.908 11.598 11.549 1.00 2.24 N ATOM 0 H LYS A 34 -1.690 8.364 4.825 1.00 0.34 H new ATOM 0 HA LYS A 34 -0.515 10.739 6.078 1.00 0.42 H new ATOM 0 HB2 LYS A 34 -2.949 9.590 6.207 1.00 0.54 H new ATOM 0 HB3 LYS A 34 -2.187 8.762 7.550 1.00 0.54 H new ATOM 0 HG2 LYS A 34 -1.720 11.709 7.473 1.00 1.15 H new ATOM 0 HG3 LYS A 34 -3.389 11.235 7.721 1.00 1.15 H new ATOM 0 HD2 LYS A 34 -2.710 9.814 9.654 1.00 1.06 H new ATOM 0 HD3 LYS A 34 -1.033 10.255 9.398 1.00 1.06 H new ATOM 0 HE2 LYS A 34 -1.641 12.676 9.750 1.00 1.89 H new ATOM 0 HE3 LYS A 34 -3.296 12.196 10.071 1.00 1.89 H new ATOM 0 HZ1 LYS A 34 -1.869 12.495 12.073 1.00 2.24 H new ATOM 0 HZ2 LYS A 34 -2.628 10.980 11.974 1.00 2.24 H new ATOM 0 HZ3 LYS A 34 -0.980 11.130 11.593 1.00 2.24 H new ATOM 602 N PHE A 35 0.946 7.978 6.401 1.00 0.33 N ATOM 603 CA PHE A 35 2.034 7.231 6.997 1.00 0.34 C ATOM 604 C PHE A 35 3.363 7.538 6.316 1.00 0.32 C ATOM 605 O PHE A 35 4.396 7.085 6.787 1.00 0.36 O ATOM 606 CB PHE A 35 1.719 5.750 6.870 1.00 0.35 C ATOM 607 CG PHE A 35 2.663 4.826 7.622 1.00 0.40 C ATOM 608 CD1 PHE A 35 2.950 5.001 8.987 1.00 1.51 C ATOM 609 CD2 PHE A 35 3.288 3.784 6.928 1.00 1.31 C ATOM 610 CE1 PHE A 35 3.874 4.153 9.630 1.00 1.54 C ATOM 611 CE2 PHE A 35 4.179 2.913 7.568 1.00 1.31 C ATOM 612 CZ PHE A 35 4.505 3.111 8.918 1.00 0.49 C ATOM 0 H PHE A 35 0.666 7.613 5.490 1.00 0.33 H new ATOM 0 HA PHE A 35 2.131 7.517 8.044 1.00 0.34 H new ATOM 0 HB2 PHE A 35 0.704 5.578 7.228 1.00 0.35 H new ATOM 0 HB3 PHE A 35 1.735 5.480 5.814 1.00 0.35 H new ATOM 0 HD1 PHE A 35 2.461 5.787 9.544 1.00 1.51 H new ATOM 0 HD2 PHE A 35 3.079 3.649 5.877 1.00 1.31 H new ATOM 0 HE1 PHE A 35 4.101 4.302 10.675 1.00 1.54 H new ATOM 0 HE2 PHE A 35 4.615 2.089 7.022 1.00 1.31 H new ATOM 0 HZ PHE A 35 5.229 2.475 9.406 1.00 0.49 H new ATOM 622 N LEU A 36 3.348 8.305 5.225 1.00 0.32 N ATOM 623 CA LEU A 36 4.532 8.735 4.496 1.00 0.39 C ATOM 624 C LEU A 36 5.548 9.304 5.457 1.00 0.47 C ATOM 625 O LEU A 36 6.522 8.634 5.787 1.00 0.63 O ATOM 626 CB LEU A 36 4.126 9.743 3.395 1.00 0.44 C ATOM 627 CG LEU A 36 3.685 9.176 2.040 1.00 0.51 C ATOM 628 CD1 LEU A 36 3.541 10.345 1.064 1.00 1.10 C ATOM 629 CD2 LEU A 36 4.672 8.157 1.487 1.00 0.64 C ATOM 0 H LEU A 36 2.481 8.653 4.815 1.00 0.32 H new ATOM 0 HA LEU A 36 5.000 7.884 4.002 1.00 0.39 H new ATOM 0 HB2 LEU A 36 3.312 10.355 3.784 1.00 0.44 H new ATOM 0 HB3 LEU A 36 4.971 10.409 3.221 1.00 0.44 H new ATOM 0 HG LEU A 36 2.738 8.653 2.172 1.00 0.51 H new ATOM 0 HD11 LEU A 36 3.228 9.969 0.090 1.00 1.10 H new ATOM 0 HD12 LEU A 36 2.794 11.044 1.441 1.00 1.10 H new ATOM 0 HD13 LEU A 36 4.499 10.856 0.965 1.00 1.10 H new ATOM 0 HD21 LEU A 36 4.313 7.787 0.527 1.00 0.64 H new ATOM 0 HD22 LEU A 36 5.645 8.629 1.353 1.00 0.64 H new ATOM 0 HD23 LEU A 36 4.765 7.325 2.185 1.00 0.64 H new ATOM 641 N GLU A 37 5.297 10.490 5.989 1.00 0.55 N ATOM 642 CA GLU A 37 6.226 11.083 6.936 1.00 0.65 C ATOM 643 C GLU A 37 6.028 10.496 8.347 1.00 0.68 C ATOM 644 O GLU A 37 6.319 11.152 9.343 1.00 1.03 O ATOM 645 CB GLU A 37 6.104 12.609 6.874 1.00 0.79 C ATOM 646 CG GLU A 37 6.340 13.098 5.432 1.00 1.23 C ATOM 647 CD GLU A 37 6.693 14.587 5.371 1.00 1.77 C ATOM 648 OE1 GLU A 37 6.105 15.353 6.167 1.00 2.45 O ATOM 649 OE2 GLU A 37 7.519 14.954 4.505 1.00 2.72 O ATOM 0 H GLU A 37 4.471 11.053 5.785 1.00 0.55 H new ATOM 0 HA GLU A 37 7.252 10.832 6.666 1.00 0.65 H new ATOM 0 HB2 GLU A 37 5.115 12.917 7.214 1.00 0.79 H new ATOM 0 HB3 GLU A 37 6.830 13.068 7.546 1.00 0.79 H new ATOM 0 HG2 GLU A 37 7.145 12.518 4.982 1.00 1.23 H new ATOM 0 HG3 GLU A 37 5.445 12.915 4.838 1.00 1.23 H new ATOM 656 N GLU A 38 5.518 9.263 8.451 1.00 0.52 N ATOM 657 CA GLU A 38 5.295 8.548 9.700 1.00 0.59 C ATOM 658 C GLU A 38 5.872 7.111 9.647 1.00 0.63 C ATOM 659 O GLU A 38 5.771 6.402 10.649 1.00 0.85 O ATOM 660 CB GLU A 38 3.786 8.575 10.050 1.00 0.76 C ATOM 661 CG GLU A 38 3.405 9.584 11.151 1.00 1.13 C ATOM 662 CD GLU A 38 2.039 9.279 11.805 1.00 1.44 C ATOM 663 OE1 GLU A 38 1.959 8.213 12.458 1.00 1.63 O ATOM 664 OE2 GLU A 38 1.095 10.108 11.693 1.00 2.82 O ATOM 0 H GLU A 38 5.241 8.721 7.633 1.00 0.52 H new ATOM 0 HA GLU A 38 5.835 9.052 10.501 1.00 0.59 H new ATOM 0 HB2 GLU A 38 3.221 8.809 9.148 1.00 0.76 H new ATOM 0 HB3 GLU A 38 3.481 7.578 10.367 1.00 0.76 H new ATOM 0 HG2 GLU A 38 4.178 9.583 11.920 1.00 1.13 H new ATOM 0 HG3 GLU A 38 3.381 10.587 10.724 1.00 1.13 H new ATOM 671 N HIS A 39 6.497 6.662 8.541 1.00 0.54 N ATOM 672 CA HIS A 39 7.025 5.304 8.402 1.00 0.64 C ATOM 673 C HIS A 39 8.475 5.255 8.868 1.00 0.68 C ATOM 674 O HIS A 39 9.289 6.044 8.390 1.00 0.84 O ATOM 675 CB HIS A 39 6.891 4.817 6.953 1.00 0.76 C ATOM 676 CG HIS A 39 7.610 3.527 6.591 1.00 0.60 C ATOM 677 ND1 HIS A 39 8.592 3.475 5.646 1.00 0.68 N ATOM 678 CD2 HIS A 39 7.353 2.232 6.977 1.00 0.61 C ATOM 679 CE1 HIS A 39 8.915 2.194 5.428 1.00 0.69 C ATOM 680 NE2 HIS A 39 8.169 1.392 6.203 1.00 0.52 N ATOM 0 H HIS A 39 6.647 7.242 7.716 1.00 0.54 H new ATOM 0 HA HIS A 39 6.441 4.633 9.032 1.00 0.64 H new ATOM 0 HB2 HIS A 39 5.831 4.687 6.736 1.00 0.76 H new ATOM 0 HB3 HIS A 39 7.257 5.605 6.295 1.00 0.76 H new ATOM 0 HD1 HIS A 39 9.012 4.280 5.181 1.00 0.68 H new ATOM 0 HD2 HIS A 39 6.652 1.919 7.736 1.00 0.61 H new ATOM 0 HE1 HIS A 39 9.666 1.856 4.730 1.00 0.69 H new ATOM 688 N PRO A 40 8.820 4.332 9.779 1.00 0.84 N ATOM 689 CA PRO A 40 10.177 4.166 10.257 1.00 0.86 C ATOM 690 C PRO A 40 11.036 3.506 9.181 1.00 1.34 C ATOM 691 O PRO A 40 11.151 2.286 9.110 1.00 2.27 O ATOM 692 CB PRO A 40 10.069 3.345 11.545 1.00 1.08 C ATOM 693 CG PRO A 40 8.765 2.568 11.390 1.00 1.49 C ATOM 694 CD PRO A 40 7.922 3.381 10.412 1.00 1.30 C ATOM 0 HA PRO A 40 10.671 5.114 10.472 1.00 0.86 H new ATOM 0 HB2 PRO A 40 10.920 2.674 11.661 1.00 1.08 H new ATOM 0 HB3 PRO A 40 10.047 3.987 12.425 1.00 1.08 H new ATOM 0 HG2 PRO A 40 8.949 1.564 11.009 1.00 1.49 H new ATOM 0 HG3 PRO A 40 8.257 2.457 12.348 1.00 1.49 H new ATOM 0 HD2 PRO A 40 7.458 2.733 9.669 1.00 1.30 H new ATOM 0 HD3 PRO A 40 7.115 3.897 10.932 1.00 1.30 H new ATOM 702 N GLY A 41 11.648 4.338 8.338 1.00 0.93 N ATOM 703 CA GLY A 41 12.573 3.899 7.315 1.00 1.33 C ATOM 704 C GLY A 41 12.685 4.964 6.236 1.00 0.83 C ATOM 705 O GLY A 41 13.650 5.721 6.226 1.00 1.05 O ATOM 0 H GLY A 41 11.507 5.348 8.354 1.00 0.93 H new ATOM 0 HA2 GLY A 41 13.552 3.708 7.754 1.00 1.33 H new ATOM 0 HA3 GLY A 41 12.230 2.961 6.879 1.00 1.33 H new ATOM 709 N GLY A 42 11.712 5.006 5.325 1.00 0.60 N ATOM 710 CA GLY A 42 11.700 5.971 4.234 1.00 0.70 C ATOM 711 C GLY A 42 10.293 6.189 3.704 1.00 0.58 C ATOM 712 O GLY A 42 9.527 5.239 3.563 1.00 1.25 O ATOM 0 H GLY A 42 10.913 4.372 5.326 1.00 0.60 H new ATOM 0 HA2 GLY A 42 12.111 6.919 4.580 1.00 0.70 H new ATOM 0 HA3 GLY A 42 12.344 5.619 3.428 1.00 0.70 H new ATOM 716 N GLU A 43 9.962 7.426 3.368 1.00 0.72 N ATOM 717 CA GLU A 43 8.714 7.778 2.708 1.00 0.56 C ATOM 718 C GLU A 43 8.803 7.676 1.186 1.00 0.57 C ATOM 719 O GLU A 43 7.804 7.432 0.512 1.00 0.53 O ATOM 720 CB GLU A 43 8.304 9.196 3.108 1.00 0.68 C ATOM 721 CG GLU A 43 9.281 10.329 2.777 1.00 1.11 C ATOM 722 CD GLU A 43 10.223 10.561 3.957 1.00 2.69 C ATOM 723 OE1 GLU A 43 9.808 11.268 4.900 1.00 3.82 O ATOM 724 OE2 GLU A 43 11.319 9.959 3.931 1.00 3.82 O ATOM 0 H GLU A 43 10.564 8.229 3.550 1.00 0.72 H new ATOM 0 HA GLU A 43 7.962 7.060 3.034 1.00 0.56 H new ATOM 0 HB2 GLU A 43 7.352 9.420 2.627 1.00 0.68 H new ATOM 0 HB3 GLU A 43 8.128 9.206 4.184 1.00 0.68 H new ATOM 0 HG2 GLU A 43 9.855 10.077 1.885 1.00 1.11 H new ATOM 0 HG3 GLU A 43 8.730 11.243 2.554 1.00 1.11 H new ATOM 731 N GLU A 44 9.987 7.867 0.613 1.00 0.68 N ATOM 732 CA GLU A 44 10.090 7.971 -0.844 1.00 0.73 C ATOM 733 C GLU A 44 9.845 6.630 -1.499 1.00 0.59 C ATOM 734 O GLU A 44 9.202 6.551 -2.543 1.00 0.64 O ATOM 735 CB GLU A 44 11.441 8.525 -1.290 1.00 0.88 C ATOM 736 CG GLU A 44 12.622 7.549 -1.200 1.00 2.55 C ATOM 737 CD GLU A 44 12.842 7.094 0.241 1.00 4.46 C ATOM 738 OE1 GLU A 44 12.868 7.977 1.122 1.00 5.50 O ATOM 739 OE2 GLU A 44 12.842 5.867 0.470 1.00 5.58 O ATOM 0 H GLU A 44 10.870 7.952 1.117 1.00 0.68 H new ATOM 0 HA GLU A 44 9.320 8.673 -1.163 1.00 0.73 H new ATOM 0 HB2 GLU A 44 11.351 8.864 -2.322 1.00 0.88 H new ATOM 0 HB3 GLU A 44 11.671 9.402 -0.685 1.00 0.88 H new ATOM 0 HG2 GLU A 44 12.433 6.683 -1.834 1.00 2.55 H new ATOM 0 HG3 GLU A 44 13.525 8.029 -1.576 1.00 2.55 H new ATOM 746 N VAL A 45 10.307 5.565 -0.844 1.00 0.50 N ATOM 747 CA VAL A 45 10.066 4.214 -1.313 1.00 0.48 C ATOM 748 C VAL A 45 8.567 3.959 -1.443 1.00 0.45 C ATOM 749 O VAL A 45 8.126 3.153 -2.264 1.00 0.48 O ATOM 750 CB VAL A 45 10.756 3.244 -0.343 1.00 0.51 C ATOM 751 CG1 VAL A 45 9.875 2.799 0.823 1.00 2.71 C ATOM 752 CG2 VAL A 45 11.304 2.044 -1.100 1.00 2.81 C ATOM 0 H VAL A 45 10.852 5.620 0.016 1.00 0.50 H new ATOM 0 HA VAL A 45 10.485 4.062 -2.308 1.00 0.48 H new ATOM 0 HB VAL A 45 11.578 3.798 0.109 1.00 0.51 H new ATOM 0 HG11 VAL A 45 10.435 2.116 1.462 1.00 2.71 H new ATOM 0 HG12 VAL A 45 9.571 3.671 1.403 1.00 2.71 H new ATOM 0 HG13 VAL A 45 8.990 2.293 0.438 1.00 2.71 H new ATOM 0 HG21 VAL A 45 11.791 1.364 -0.401 1.00 2.81 H new ATOM 0 HG22 VAL A 45 10.486 1.525 -1.601 1.00 2.81 H new ATOM 0 HG23 VAL A 45 12.028 2.381 -1.842 1.00 2.81 H new ATOM 762 N LEU A 46 7.772 4.690 -0.655 1.00 0.46 N ATOM 763 CA LEU A 46 6.331 4.430 -0.685 1.00 0.46 C ATOM 764 C LEU A 46 5.756 5.016 -1.980 1.00 0.48 C ATOM 765 O LEU A 46 4.783 4.503 -2.529 1.00 0.53 O ATOM 766 CB LEU A 46 5.666 5.005 0.567 1.00 0.49 C ATOM 767 CG LEU A 46 6.298 4.523 1.890 1.00 0.39 C ATOM 768 CD1 LEU A 46 5.371 4.730 3.090 1.00 0.54 C ATOM 769 CD2 LEU A 46 6.683 3.047 1.934 1.00 0.45 C ATOM 0 H LEU A 46 8.079 5.428 -0.021 1.00 0.46 H new ATOM 0 HA LEU A 46 6.131 3.358 -0.678 1.00 0.46 H new ATOM 0 HB2 LEU A 46 5.718 6.093 0.527 1.00 0.49 H new ATOM 0 HB3 LEU A 46 4.610 4.736 0.561 1.00 0.49 H new ATOM 0 HG LEU A 46 7.198 5.136 1.942 1.00 0.39 H new ATOM 0 HD11 LEU A 46 5.863 4.375 3.995 1.00 0.54 H new ATOM 0 HD12 LEU A 46 5.142 5.791 3.194 1.00 0.54 H new ATOM 0 HD13 LEU A 46 4.447 4.172 2.936 1.00 0.54 H new ATOM 0 HD21 LEU A 46 7.117 2.813 2.906 1.00 0.45 H new ATOM 0 HD22 LEU A 46 5.795 2.435 1.776 1.00 0.45 H new ATOM 0 HD23 LEU A 46 7.412 2.838 1.151 1.00 0.45 H new ATOM 781 N ARG A 47 6.397 6.062 -2.514 1.00 0.49 N ATOM 782 CA ARG A 47 6.046 6.646 -3.797 1.00 0.55 C ATOM 783 C ARG A 47 6.659 5.872 -4.965 1.00 0.57 C ATOM 784 O ARG A 47 6.063 5.819 -6.037 1.00 0.57 O ATOM 785 CB ARG A 47 6.515 8.100 -3.847 1.00 0.60 C ATOM 786 CG ARG A 47 5.757 8.868 -4.937 1.00 1.11 C ATOM 787 CD ARG A 47 6.515 10.139 -5.324 1.00 1.51 C ATOM 788 NE ARG A 47 7.320 9.933 -6.539 1.00 2.53 N ATOM 789 CZ ARG A 47 7.807 10.917 -7.305 1.00 3.09 C ATOM 790 NH1 ARG A 47 7.658 12.187 -6.925 1.00 3.39 N ATOM 791 NH2 ARG A 47 8.431 10.635 -8.450 1.00 4.23 N ATOM 0 H ARG A 47 7.181 6.526 -2.056 1.00 0.49 H new ATOM 0 HA ARG A 47 4.962 6.597 -3.896 1.00 0.55 H new ATOM 0 HB2 ARG A 47 6.353 8.575 -2.879 1.00 0.60 H new ATOM 0 HB3 ARG A 47 7.586 8.137 -4.045 1.00 0.60 H new ATOM 0 HG2 ARG A 47 5.628 8.234 -5.814 1.00 1.11 H new ATOM 0 HG3 ARG A 47 4.760 9.127 -4.581 1.00 1.11 H new ATOM 0 HD2 ARG A 47 5.807 10.951 -5.488 1.00 1.51 H new ATOM 0 HD3 ARG A 47 7.164 10.442 -4.502 1.00 1.51 H new ATOM 0 HE ARG A 47 7.521 8.972 -6.817 1.00 2.53 H new ATOM 0 HH11 ARG A 47 7.175 12.405 -6.054 1.00 3.39 H new ATOM 0 HH12 ARG A 47 8.028 12.940 -7.506 1.00 3.39 H new ATOM 0 HH21 ARG A 47 8.539 9.665 -8.746 1.00 4.23 H new ATOM 0 HH22 ARG A 47 8.800 11.389 -9.029 1.00 4.23 H new ATOM 805 N GLU A 48 7.833 5.264 -4.792 1.00 0.64 N ATOM 806 CA GLU A 48 8.496 4.492 -5.848 1.00 0.66 C ATOM 807 C GLU A 48 7.692 3.243 -6.210 1.00 0.65 C ATOM 808 O GLU A 48 7.900 2.652 -7.263 1.00 0.75 O ATOM 809 CB GLU A 48 9.912 4.105 -5.389 1.00 0.72 C ATOM 810 CG GLU A 48 10.999 5.029 -5.959 1.00 0.87 C ATOM 811 CD GLU A 48 11.893 4.291 -6.957 1.00 1.05 C ATOM 812 OE1 GLU A 48 11.519 4.269 -8.150 1.00 2.06 O ATOM 813 OE2 GLU A 48 12.937 3.764 -6.512 1.00 1.95 O ATOM 0 H GLU A 48 8.353 5.292 -3.915 1.00 0.64 H new ATOM 0 HA GLU A 48 8.562 5.112 -6.742 1.00 0.66 H new ATOM 0 HB2 GLU A 48 9.955 4.130 -4.300 1.00 0.72 H new ATOM 0 HB3 GLU A 48 10.119 3.079 -5.692 1.00 0.72 H new ATOM 0 HG2 GLU A 48 10.532 5.883 -6.449 1.00 0.87 H new ATOM 0 HG3 GLU A 48 11.608 5.422 -5.145 1.00 0.87 H new ATOM 820 N GLN A 49 6.742 2.859 -5.358 1.00 0.61 N ATOM 821 CA GLN A 49 5.861 1.725 -5.575 1.00 0.61 C ATOM 822 C GLN A 49 4.400 2.171 -5.564 1.00 0.63 C ATOM 823 O GLN A 49 3.491 1.355 -5.434 1.00 0.64 O ATOM 824 CB GLN A 49 6.118 0.726 -4.462 1.00 0.63 C ATOM 825 CG GLN A 49 7.558 0.205 -4.478 1.00 0.65 C ATOM 826 CD GLN A 49 7.828 -0.726 -5.656 1.00 0.80 C ATOM 827 OE1 GLN A 49 6.910 -1.199 -6.311 1.00 1.49 O ATOM 828 NE2 GLN A 49 9.089 -1.025 -5.941 1.00 0.87 N ATOM 0 H GLN A 49 6.564 3.343 -4.478 1.00 0.61 H new ATOM 0 HA GLN A 49 6.058 1.272 -6.547 1.00 0.61 H new ATOM 0 HB2 GLN A 49 5.913 1.195 -3.500 1.00 0.63 H new ATOM 0 HB3 GLN A 49 5.428 -0.112 -4.561 1.00 0.63 H new ATOM 0 HG2 GLN A 49 8.246 1.049 -4.521 1.00 0.65 H new ATOM 0 HG3 GLN A 49 7.760 -0.324 -3.547 1.00 0.65 H new ATOM 0 HE21 GLN A 49 9.846 -0.624 -5.387 1.00 0.87 H new ATOM 0 HE22 GLN A 49 9.301 -1.656 -6.714 1.00 0.87 H new ATOM 837 N ALA A 50 4.170 3.479 -5.650 1.00 0.71 N ATOM 838 CA ALA A 50 2.834 4.051 -5.646 1.00 0.80 C ATOM 839 C ALA A 50 1.980 3.417 -6.738 1.00 0.65 C ATOM 840 O ALA A 50 2.441 3.219 -7.859 1.00 0.63 O ATOM 841 CB ALA A 50 2.878 5.557 -5.878 1.00 1.02 C ATOM 0 H ALA A 50 4.914 4.173 -5.725 1.00 0.71 H new ATOM 0 HA ALA A 50 2.398 3.851 -4.667 1.00 0.80 H new ATOM 0 HB1 ALA A 50 1.864 5.956 -5.870 1.00 1.02 H new ATOM 0 HB2 ALA A 50 3.461 6.030 -5.088 1.00 1.02 H new ATOM 0 HB3 ALA A 50 3.341 5.763 -6.843 1.00 1.02 H new ATOM 847 N GLY A 51 0.719 3.132 -6.417 1.00 0.61 N ATOM 848 CA GLY A 51 -0.201 2.406 -7.278 1.00 0.52 C ATOM 849 C GLY A 51 0.400 1.129 -7.879 1.00 0.56 C ATOM 850 O GLY A 51 -0.051 0.692 -8.935 1.00 0.55 O ATOM 0 H GLY A 51 0.303 3.408 -5.528 1.00 0.61 H new ATOM 0 HA2 GLY A 51 -1.091 2.144 -6.706 1.00 0.52 H new ATOM 0 HA3 GLY A 51 -0.523 3.062 -8.087 1.00 0.52 H new ATOM 854 N GLY A 52 1.409 0.541 -7.229 1.00 0.66 N ATOM 855 CA GLY A 52 2.212 -0.545 -7.750 1.00 0.74 C ATOM 856 C GLY A 52 2.492 -1.563 -6.649 1.00 0.75 C ATOM 857 O GLY A 52 2.134 -1.375 -5.487 1.00 0.80 O ATOM 0 H GLY A 52 1.691 0.827 -6.291 1.00 0.66 H new ATOM 0 HA2 GLY A 52 1.693 -1.027 -8.578 1.00 0.74 H new ATOM 0 HA3 GLY A 52 3.151 -0.157 -8.145 1.00 0.74 H new ATOM 861 N ASP A 53 3.100 -2.676 -7.038 1.00 0.74 N ATOM 862 CA ASP A 53 3.338 -3.849 -6.224 1.00 0.72 C ATOM 863 C ASP A 53 4.535 -3.651 -5.296 1.00 0.65 C ATOM 864 O ASP A 53 5.658 -4.064 -5.576 1.00 0.76 O ATOM 865 CB ASP A 53 3.469 -5.104 -7.107 1.00 0.81 C ATOM 866 CG ASP A 53 3.760 -4.863 -8.590 1.00 2.58 C ATOM 867 OD1 ASP A 53 4.947 -4.776 -8.963 1.00 4.06 O ATOM 868 OD2 ASP A 53 2.764 -4.684 -9.326 1.00 3.30 O ATOM 0 H ASP A 53 3.459 -2.785 -7.986 1.00 0.74 H new ATOM 0 HA ASP A 53 2.475 -4.002 -5.577 1.00 0.72 H new ATOM 0 HB2 ASP A 53 4.265 -5.727 -6.699 1.00 0.81 H new ATOM 0 HB3 ASP A 53 2.544 -5.676 -7.028 1.00 0.81 H new ATOM 873 N ALA A 54 4.285 -3.068 -4.123 1.00 0.61 N ATOM 874 CA ALA A 54 5.365 -2.803 -3.187 1.00 0.60 C ATOM 875 C ALA A 54 5.732 -4.074 -2.428 1.00 0.64 C ATOM 876 O ALA A 54 6.700 -4.060 -1.678 1.00 0.67 O ATOM 877 CB ALA A 54 4.987 -1.666 -2.224 1.00 0.53 C ATOM 0 H ALA A 54 3.360 -2.777 -3.807 1.00 0.61 H new ATOM 0 HA ALA A 54 6.241 -2.480 -3.749 1.00 0.60 H new ATOM 0 HB1 ALA A 54 5.810 -1.486 -1.533 1.00 0.53 H new ATOM 0 HB2 ALA A 54 4.786 -0.759 -2.793 1.00 0.53 H new ATOM 0 HB3 ALA A 54 4.096 -1.946 -1.662 1.00 0.53 H new ATOM 883 N THR A 55 4.980 -5.168 -2.598 1.00 0.68 N ATOM 884 CA THR A 55 5.123 -6.406 -1.865 1.00 0.71 C ATOM 885 C THR A 55 6.506 -7.002 -2.002 1.00 0.70 C ATOM 886 O THR A 55 7.014 -7.540 -1.024 1.00 0.65 O ATOM 887 CB THR A 55 4.097 -7.376 -2.445 1.00 0.82 C ATOM 888 OG1 THR A 55 2.819 -6.819 -2.298 1.00 1.15 O ATOM 889 CG2 THR A 55 4.070 -8.699 -1.714 1.00 0.93 C ATOM 0 H THR A 55 4.225 -5.203 -3.283 1.00 0.68 H new ATOM 0 HA THR A 55 4.967 -6.218 -0.803 1.00 0.71 H new ATOM 0 HB THR A 55 4.374 -7.545 -3.486 1.00 0.82 H new ATOM 0 HG1 THR A 55 2.401 -6.722 -3.179 1.00 1.15 H new ATOM 0 HG21 THR A 55 3.323 -9.350 -2.168 1.00 0.93 H new ATOM 0 HG22 THR A 55 5.050 -9.171 -1.779 1.00 0.93 H new ATOM 0 HG23 THR A 55 3.817 -8.531 -0.667 1.00 0.93 H new ATOM 897 N GLU A 56 7.113 -6.910 -3.188 1.00 0.76 N ATOM 898 CA GLU A 56 8.479 -7.376 -3.357 1.00 0.80 C ATOM 899 C GLU A 56 9.342 -6.688 -2.319 1.00 0.71 C ATOM 900 O GLU A 56 10.053 -7.359 -1.591 1.00 0.80 O ATOM 901 CB GLU A 56 8.995 -7.073 -4.770 1.00 0.98 C ATOM 902 CG GLU A 56 8.850 -8.280 -5.710 1.00 1.71 C ATOM 903 CD GLU A 56 10.200 -8.695 -6.301 1.00 2.61 C ATOM 904 OE1 GLU A 56 11.030 -9.202 -5.515 1.00 3.68 O ATOM 905 OE2 GLU A 56 10.380 -8.508 -7.524 1.00 3.08 O ATOM 0 H GLU A 56 6.684 -6.523 -4.028 1.00 0.76 H new ATOM 0 HA GLU A 56 8.517 -8.457 -3.224 1.00 0.80 H new ATOM 0 HB2 GLU A 56 8.447 -6.226 -5.182 1.00 0.98 H new ATOM 0 HB3 GLU A 56 10.043 -6.779 -4.717 1.00 0.98 H new ATOM 0 HG2 GLU A 56 8.417 -9.118 -5.164 1.00 1.71 H new ATOM 0 HG3 GLU A 56 8.159 -8.034 -6.516 1.00 1.71 H new ATOM 912 N ASN A 57 9.221 -5.367 -2.184 1.00 0.71 N ATOM 913 CA ASN A 57 10.002 -4.642 -1.201 1.00 0.66 C ATOM 914 C ASN A 57 9.620 -5.081 0.200 1.00 0.54 C ATOM 915 O ASN A 57 10.491 -5.383 0.996 1.00 0.61 O ATOM 916 CB ASN A 57 9.787 -3.137 -1.338 1.00 0.70 C ATOM 917 CG ASN A 57 11.104 -2.407 -1.131 1.00 1.69 C ATOM 918 OD1 ASN A 57 11.639 -2.358 -0.032 1.00 3.30 O ATOM 919 ND2 ASN A 57 11.648 -1.836 -2.195 1.00 1.70 N ATOM 0 H ASN A 57 8.593 -4.788 -2.741 1.00 0.71 H new ATOM 0 HA ASN A 57 11.055 -4.864 -1.377 1.00 0.66 H new ATOM 0 HB2 ASN A 57 9.384 -2.906 -2.324 1.00 0.70 H new ATOM 0 HB3 ASN A 57 9.054 -2.797 -0.607 1.00 0.70 H new ATOM 0 HD21 ASN A 57 12.535 -1.340 -2.110 1.00 1.70 H new ATOM 0 HD22 ASN A 57 11.180 -1.893 -3.099 1.00 1.70 H new ATOM 926 N PHE A 58 8.323 -5.132 0.507 1.00 0.46 N ATOM 927 CA PHE A 58 7.879 -5.552 1.848 1.00 0.42 C ATOM 928 C PHE A 58 8.521 -6.880 2.303 1.00 0.45 C ATOM 929 O PHE A 58 8.918 -7.013 3.461 1.00 0.43 O ATOM 930 CB PHE A 58 6.350 -5.622 1.852 1.00 0.55 C ATOM 931 CG PHE A 58 5.702 -5.770 3.214 1.00 0.63 C ATOM 932 CD1 PHE A 58 5.720 -7.013 3.869 1.00 2.05 C ATOM 933 CD2 PHE A 58 5.036 -4.680 3.809 1.00 2.07 C ATOM 934 CE1 PHE A 58 5.089 -7.163 5.113 1.00 2.13 C ATOM 935 CE2 PHE A 58 4.385 -4.836 5.045 1.00 2.22 C ATOM 936 CZ PHE A 58 4.414 -6.078 5.699 1.00 1.17 C ATOM 0 H PHE A 58 7.569 -4.894 -0.138 1.00 0.46 H new ATOM 0 HA PHE A 58 8.214 -4.814 2.576 1.00 0.42 H new ATOM 0 HB2 PHE A 58 5.962 -4.718 1.382 1.00 0.55 H new ATOM 0 HB3 PHE A 58 6.042 -6.462 1.230 1.00 0.55 H new ATOM 0 HD1 PHE A 58 6.221 -7.855 3.414 1.00 2.05 H new ATOM 0 HD2 PHE A 58 5.026 -3.721 3.313 1.00 2.07 H new ATOM 0 HE1 PHE A 58 5.122 -8.115 5.622 1.00 2.13 H new ATOM 0 HE2 PHE A 58 3.863 -4.002 5.491 1.00 2.22 H new ATOM 0 HZ PHE A 58 3.918 -6.200 6.651 1.00 1.17 H new ATOM 946 N GLU A 59 8.635 -7.862 1.411 1.00 0.58 N ATOM 947 CA GLU A 59 9.222 -9.163 1.726 1.00 0.71 C ATOM 948 C GLU A 59 10.747 -9.119 1.641 1.00 0.74 C ATOM 949 O GLU A 59 11.415 -9.808 2.405 1.00 0.81 O ATOM 950 CB GLU A 59 8.673 -10.209 0.744 1.00 0.88 C ATOM 951 CG GLU A 59 7.493 -10.984 1.346 1.00 1.12 C ATOM 952 CD GLU A 59 7.924 -12.002 2.407 1.00 1.39 C ATOM 953 OE1 GLU A 59 8.800 -12.835 2.090 1.00 2.30 O ATOM 954 OE2 GLU A 59 7.332 -11.957 3.510 1.00 2.29 O ATOM 0 H GLU A 59 8.321 -7.777 0.444 1.00 0.58 H new ATOM 0 HA GLU A 59 8.954 -9.430 2.748 1.00 0.71 H new ATOM 0 HB2 GLU A 59 8.354 -9.715 -0.174 1.00 0.88 H new ATOM 0 HB3 GLU A 59 9.466 -10.906 0.472 1.00 0.88 H new ATOM 0 HG2 GLU A 59 6.791 -10.279 1.791 1.00 1.12 H new ATOM 0 HG3 GLU A 59 6.961 -11.502 0.548 1.00 1.12 H new ATOM 961 N ASP A 60 11.299 -8.299 0.744 1.00 0.79 N ATOM 962 CA ASP A 60 12.736 -8.167 0.529 1.00 0.93 C ATOM 963 C ASP A 60 13.339 -7.659 1.818 1.00 0.88 C ATOM 964 O ASP A 60 14.309 -8.214 2.331 1.00 0.99 O ATOM 965 CB ASP A 60 13.032 -7.169 -0.604 1.00 1.00 C ATOM 966 CG ASP A 60 14.500 -7.163 -1.033 1.00 1.89 C ATOM 967 OD1 ASP A 60 15.351 -6.770 -0.208 1.00 3.35 O ATOM 968 OD2 ASP A 60 14.753 -7.510 -2.208 1.00 2.11 O ATOM 0 H ASP A 60 10.745 -7.697 0.135 1.00 0.79 H new ATOM 0 HA ASP A 60 13.160 -9.130 0.245 1.00 0.93 H new ATOM 0 HB2 ASP A 60 12.409 -7.412 -1.465 1.00 1.00 H new ATOM 0 HB3 ASP A 60 12.751 -6.167 -0.280 1.00 1.00 H new ATOM 973 N VAL A 61 12.708 -6.618 2.376 1.00 0.76 N ATOM 974 CA VAL A 61 13.230 -6.057 3.585 1.00 0.82 C ATOM 975 C VAL A 61 13.024 -7.055 4.723 1.00 0.70 C ATOM 976 O VAL A 61 13.870 -7.173 5.608 1.00 0.85 O ATOM 977 CB VAL A 61 12.731 -4.635 3.894 1.00 0.97 C ATOM 978 CG1 VAL A 61 11.228 -4.559 4.129 1.00 1.85 C ATOM 979 CG2 VAL A 61 13.423 -4.063 5.139 1.00 2.46 C ATOM 0 H VAL A 61 11.866 -6.174 2.010 1.00 0.76 H new ATOM 0 HA VAL A 61 14.301 -5.900 3.453 1.00 0.82 H new ATOM 0 HB VAL A 61 12.977 -4.052 3.006 1.00 0.97 H new ATOM 0 HG11 VAL A 61 10.945 -3.528 4.341 1.00 1.85 H new ATOM 0 HG12 VAL A 61 10.703 -4.904 3.238 1.00 1.85 H new ATOM 0 HG13 VAL A 61 10.960 -5.191 4.976 1.00 1.85 H new ATOM 0 HG21 VAL A 61 13.050 -3.057 5.333 1.00 2.46 H new ATOM 0 HG22 VAL A 61 13.211 -4.700 5.998 1.00 2.46 H new ATOM 0 HG23 VAL A 61 14.499 -4.025 4.972 1.00 2.46 H new ATOM 989 N GLY A 62 11.906 -7.793 4.690 1.00 0.57 N ATOM 990 CA GLY A 62 11.667 -8.830 5.678 1.00 0.70 C ATOM 991 C GLY A 62 11.104 -8.178 6.932 1.00 0.87 C ATOM 992 O GLY A 62 11.715 -8.221 7.997 1.00 1.94 O ATOM 0 H GLY A 62 11.167 -7.686 3.995 1.00 0.57 H new ATOM 0 HA2 GLY A 62 10.968 -9.570 5.289 1.00 0.70 H new ATOM 0 HA3 GLY A 62 12.594 -9.356 5.907 1.00 0.70 H new ATOM 996 N HIS A 63 9.949 -7.520 6.777 1.00 0.44 N ATOM 997 CA HIS A 63 9.350 -6.661 7.790 1.00 0.48 C ATOM 998 C HIS A 63 9.077 -7.386 9.111 1.00 0.62 C ATOM 999 O HIS A 63 8.904 -8.604 9.143 1.00 1.22 O ATOM 1000 CB HIS A 63 8.046 -6.067 7.230 1.00 0.54 C ATOM 1001 CG HIS A 63 8.206 -4.752 6.522 1.00 0.51 C ATOM 1002 ND1 HIS A 63 8.425 -4.606 5.184 1.00 0.53 N ATOM 1003 CD2 HIS A 63 8.098 -3.502 7.073 1.00 0.48 C ATOM 1004 CE1 HIS A 63 8.457 -3.292 4.913 1.00 0.50 C ATOM 1005 NE2 HIS A 63 8.256 -2.577 6.033 1.00 0.46 N ATOM 0 H HIS A 63 9.397 -7.575 5.921 1.00 0.44 H new ATOM 0 HA HIS A 63 10.066 -5.872 8.019 1.00 0.48 H new ATOM 0 HB2 HIS A 63 7.604 -6.784 6.539 1.00 0.54 H new ATOM 0 HB3 HIS A 63 7.340 -5.938 8.050 1.00 0.54 H new ATOM 0 HD1 HIS A 63 8.543 -5.361 4.509 1.00 0.53 H new ATOM 0 HD2 HIS A 63 7.924 -3.273 8.114 1.00 0.48 H new ATOM 0 HE1 HIS A 63 8.621 -2.869 3.933 1.00 0.50 H new ATOM 1013 N SER A 64 8.977 -6.613 10.201 1.00 0.46 N ATOM 1014 CA SER A 64 8.599 -7.114 11.513 1.00 0.55 C ATOM 1015 C SER A 64 7.092 -7.389 11.590 1.00 0.54 C ATOM 1016 O SER A 64 6.301 -6.982 10.734 1.00 0.54 O ATOM 1017 CB SER A 64 9.013 -6.081 12.568 1.00 0.71 C ATOM 1018 OG SER A 64 8.473 -4.820 12.246 1.00 2.19 O ATOM 0 H SER A 64 9.161 -5.610 10.187 1.00 0.46 H new ATOM 0 HA SER A 64 9.109 -8.059 11.698 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.664 -6.394 13.552 1.00 0.71 H new ATOM 0 HB3 SER A 64 10.100 -6.018 12.620 1.00 0.71 H new ATOM 0 HG SER A 64 8.741 -4.166 12.925 1.00 2.19 H new ATOM 1024 N THR A 65 6.659 -8.072 12.647 1.00 0.66 N ATOM 1025 CA THR A 65 5.265 -8.421 12.821 1.00 0.77 C ATOM 1026 C THR A 65 4.409 -7.204 13.175 1.00 0.80 C ATOM 1027 O THR A 65 3.329 -7.046 12.610 1.00 0.85 O ATOM 1028 CB THR A 65 5.213 -9.506 13.890 1.00 0.95 C ATOM 1029 OG1 THR A 65 6.046 -10.568 13.469 1.00 1.05 O ATOM 1030 CG2 THR A 65 3.792 -10.002 14.102 1.00 1.17 C ATOM 0 H THR A 65 7.267 -8.394 13.400 1.00 0.66 H new ATOM 0 HA THR A 65 4.841 -8.794 11.888 1.00 0.77 H new ATOM 0 HB THR A 65 5.558 -9.101 14.842 1.00 0.95 H new ATOM 0 HG1 THR A 65 6.032 -11.281 14.141 1.00 1.05 H new ATOM 0 HG21 THR A 65 3.787 -10.775 14.870 1.00 1.17 H new ATOM 0 HG22 THR A 65 3.160 -9.172 14.419 1.00 1.17 H new ATOM 0 HG23 THR A 65 3.408 -10.415 13.169 1.00 1.17 H new ATOM 1038 N ASP A 66 4.904 -6.298 14.023 1.00 0.86 N ATOM 1039 CA ASP A 66 4.216 -5.041 14.330 1.00 0.97 C ATOM 1040 C ASP A 66 3.962 -4.272 13.045 1.00 0.84 C ATOM 1041 O ASP A 66 2.953 -3.596 12.868 1.00 0.90 O ATOM 1042 CB ASP A 66 5.098 -4.151 15.216 1.00 1.11 C ATOM 1043 CG ASP A 66 5.075 -4.561 16.681 1.00 1.68 C ATOM 1044 OD1 ASP A 66 4.978 -5.784 16.923 1.00 2.95 O ATOM 1045 OD2 ASP A 66 5.185 -3.649 17.528 1.00 2.29 O ATOM 0 H ASP A 66 5.790 -6.415 14.515 1.00 0.86 H new ATOM 0 HA ASP A 66 3.283 -5.284 14.839 1.00 0.97 H new ATOM 0 HB2 ASP A 66 6.124 -4.187 14.850 1.00 1.11 H new ATOM 0 HB3 ASP A 66 4.765 -3.117 15.129 1.00 1.11 H new ATOM 1050 N ALA A 67 4.904 -4.388 12.120 1.00 0.68 N ATOM 1051 CA ALA A 67 4.824 -3.715 10.856 1.00 0.55 C ATOM 1052 C ALA A 67 3.727 -4.390 10.019 1.00 0.51 C ATOM 1053 O ALA A 67 2.918 -3.722 9.380 1.00 0.60 O ATOM 1054 CB ALA A 67 6.249 -3.726 10.294 1.00 0.64 C ATOM 0 H ALA A 67 5.743 -4.956 12.237 1.00 0.68 H new ATOM 0 HA ALA A 67 4.514 -2.671 10.891 1.00 0.55 H new ATOM 0 HB1 ALA A 67 6.262 -3.226 9.325 1.00 0.64 H new ATOM 0 HB2 ALA A 67 6.915 -3.204 10.981 1.00 0.64 H new ATOM 0 HB3 ALA A 67 6.585 -4.756 10.175 1.00 0.64 H new ATOM 1060 N ARG A 68 3.545 -5.708 10.117 1.00 0.51 N ATOM 1061 CA ARG A 68 2.377 -6.310 9.480 1.00 0.53 C ATOM 1062 C ARG A 68 1.067 -5.721 10.084 1.00 0.58 C ATOM 1063 O ARG A 68 0.073 -5.624 9.368 1.00 0.71 O ATOM 1064 CB ARG A 68 2.366 -7.838 9.679 1.00 0.70 C ATOM 1065 CG ARG A 68 2.279 -8.633 8.368 1.00 1.27 C ATOM 1066 CD ARG A 68 3.672 -9.107 7.937 1.00 1.92 C ATOM 1067 NE ARG A 68 3.606 -10.191 6.941 1.00 2.55 N ATOM 1068 CZ ARG A 68 3.336 -11.472 7.232 1.00 2.76 C ATOM 1069 NH1 ARG A 68 3.043 -11.823 8.486 1.00 3.24 N ATOM 1070 NH2 ARG A 68 3.354 -12.400 6.275 1.00 3.37 N ATOM 0 H ARG A 68 4.162 -6.354 10.609 1.00 0.51 H new ATOM 0 HA ARG A 68 2.431 -6.085 8.415 1.00 0.53 H new ATOM 0 HB2 ARG A 68 3.270 -8.132 10.212 1.00 0.70 H new ATOM 0 HB3 ARG A 68 1.521 -8.106 10.313 1.00 0.70 H new ATOM 0 HG2 ARG A 68 1.620 -9.491 8.499 1.00 1.27 H new ATOM 0 HG3 ARG A 68 1.841 -8.012 7.587 1.00 1.27 H new ATOM 0 HD2 ARG A 68 4.228 -8.267 7.521 1.00 1.92 H new ATOM 0 HD3 ARG A 68 4.224 -9.452 8.812 1.00 1.92 H new ATOM 0 HE ARG A 68 3.777 -9.951 5.965 1.00 2.55 H new ATOM 0 HH11 ARG A 68 3.025 -11.117 9.222 1.00 3.24 H new ATOM 0 HH12 ARG A 68 2.838 -12.797 8.708 1.00 3.24 H new ATOM 0 HH21 ARG A 68 3.574 -12.138 5.314 1.00 3.37 H new ATOM 0 HH22 ARG A 68 3.148 -13.372 6.504 1.00 3.37 H new ATOM 1084 N GLU A 69 1.047 -5.320 11.368 1.00 0.63 N ATOM 1085 CA GLU A 69 -0.161 -4.896 12.104 1.00 0.75 C ATOM 1086 C GLU A 69 -0.569 -3.461 11.809 1.00 0.65 C ATOM 1087 O GLU A 69 -1.742 -3.212 11.542 1.00 0.66 O ATOM 1088 CB GLU A 69 0.046 -4.999 13.621 1.00 0.99 C ATOM 1089 CG GLU A 69 -0.031 -6.444 14.124 1.00 1.21 C ATOM 1090 CD GLU A 69 -1.276 -6.666 14.987 1.00 1.93 C ATOM 1091 OE1 GLU A 69 -2.384 -6.423 14.455 1.00 2.83 O ATOM 1092 OE2 GLU A 69 -1.105 -7.085 16.153 1.00 2.44 O ATOM 0 H GLU A 69 1.892 -5.280 11.938 1.00 0.63 H new ATOM 0 HA GLU A 69 -0.946 -5.572 11.764 1.00 0.75 H new ATOM 0 HB2 GLU A 69 1.017 -4.578 13.882 1.00 0.99 H new ATOM 0 HB3 GLU A 69 -0.709 -4.399 14.130 1.00 0.99 H new ATOM 0 HG2 GLU A 69 -0.048 -7.127 13.275 1.00 1.21 H new ATOM 0 HG3 GLU A 69 0.862 -6.678 14.703 1.00 1.21 H new ATOM 1099 N LEU A 70 0.362 -2.503 11.811 1.00 0.64 N ATOM 1100 CA LEU A 70 0.085 -1.172 11.317 1.00 0.67 C ATOM 1101 C LEU A 70 -0.446 -1.269 9.904 1.00 0.56 C ATOM 1102 O LEU A 70 -1.252 -0.430 9.506 1.00 0.63 O ATOM 1103 CB LEU A 70 1.395 -0.399 11.297 1.00 0.82 C ATOM 1104 CG LEU A 70 1.825 0.066 12.679 1.00 0.99 C ATOM 1105 CD1 LEU A 70 3.319 -0.220 12.923 1.00 2.26 C ATOM 1106 CD2 LEU A 70 1.447 1.524 12.921 1.00 1.11 C ATOM 0 H LEU A 70 1.314 -2.635 12.153 1.00 0.64 H new ATOM 0 HA LEU A 70 -0.649 -0.674 11.951 1.00 0.67 H new ATOM 0 HB2 LEU A 70 2.176 -1.028 10.871 1.00 0.82 H new ATOM 0 HB3 LEU A 70 1.291 0.467 10.643 1.00 0.82 H new ATOM 0 HG LEU A 70 1.276 -0.515 13.420 1.00 0.99 H new ATOM 0 HD11 LEU A 70 3.597 0.124 13.919 1.00 2.26 H new ATOM 0 HD12 LEU A 70 3.502 -1.292 12.844 1.00 2.26 H new ATOM 0 HD13 LEU A 70 3.916 0.306 12.178 1.00 2.26 H new ATOM 0 HD21 LEU A 70 1.769 1.823 13.918 1.00 1.11 H new ATOM 0 HD22 LEU A 70 1.935 2.155 12.178 1.00 1.11 H new ATOM 0 HD23 LEU A 70 0.366 1.638 12.840 1.00 1.11 H new ATOM 1118 N SER A 71 -0.045 -2.307 9.151 1.00 0.51 N ATOM 1119 CA SER A 71 -0.642 -2.434 7.838 1.00 0.54 C ATOM 1120 C SER A 71 -2.176 -2.420 7.891 1.00 0.53 C ATOM 1121 O SER A 71 -2.846 -1.806 7.062 1.00 0.67 O ATOM 1122 CB SER A 71 -0.081 -3.575 6.984 1.00 0.64 C ATOM 1123 OG SER A 71 1.270 -3.864 7.239 1.00 1.65 O ATOM 0 H SER A 71 0.640 -3.016 9.413 1.00 0.51 H new ATOM 0 HA SER A 71 -0.335 -1.534 7.305 1.00 0.54 H new ATOM 0 HB2 SER A 71 -0.674 -4.473 7.159 1.00 0.64 H new ATOM 0 HB3 SER A 71 -0.195 -3.318 5.931 1.00 0.64 H new ATOM 0 HG SER A 71 1.561 -4.601 6.662 1.00 1.65 H new ATOM 1129 N LYS A 72 -2.757 -3.036 8.913 1.00 0.50 N ATOM 1130 CA LYS A 72 -4.198 -3.111 9.064 1.00 0.63 C ATOM 1131 C LYS A 72 -4.850 -1.726 9.067 1.00 0.70 C ATOM 1132 O LYS A 72 -5.952 -1.583 8.548 1.00 0.95 O ATOM 1133 CB LYS A 72 -4.507 -3.863 10.362 1.00 0.75 C ATOM 1134 CG LYS A 72 -5.871 -4.553 10.283 1.00 0.99 C ATOM 1135 CD LYS A 72 -5.675 -6.054 10.076 1.00 2.03 C ATOM 1136 CE LYS A 72 -7.045 -6.712 9.913 1.00 2.39 C ATOM 1137 NZ LYS A 72 -7.056 -8.087 10.456 1.00 3.26 N ATOM 0 H LYS A 72 -2.238 -3.497 9.660 1.00 0.50 H new ATOM 0 HA LYS A 72 -4.617 -3.644 8.210 1.00 0.63 H new ATOM 0 HB2 LYS A 72 -3.731 -4.604 10.551 1.00 0.75 H new ATOM 0 HB3 LYS A 72 -4.495 -3.168 11.201 1.00 0.75 H new ATOM 0 HG2 LYS A 72 -6.435 -4.372 11.198 1.00 0.99 H new ATOM 0 HG3 LYS A 72 -6.454 -4.136 9.462 1.00 0.99 H new ATOM 0 HD2 LYS A 72 -5.061 -6.236 9.194 1.00 2.03 H new ATOM 0 HD3 LYS A 72 -5.147 -6.486 10.926 1.00 2.03 H new ATOM 0 HE2 LYS A 72 -7.800 -6.113 10.422 1.00 2.39 H new ATOM 0 HE3 LYS A 72 -7.315 -6.735 8.857 1.00 2.39 H new ATOM 0 HZ1 LYS A 72 -8.001 -8.503 10.329 1.00 3.26 H new ATOM 0 HZ2 LYS A 72 -6.353 -8.665 9.953 1.00 3.26 H new ATOM 0 HZ3 LYS A 72 -6.823 -8.062 11.469 1.00 3.26 H new ATOM 1151 N THR A 73 -4.186 -0.703 9.613 1.00 0.56 N ATOM 1152 CA THR A 73 -4.757 0.637 9.705 1.00 0.57 C ATOM 1153 C THR A 73 -4.513 1.456 8.431 1.00 0.55 C ATOM 1154 O THR A 73 -4.924 2.610 8.348 1.00 0.64 O ATOM 1155 CB THR A 73 -4.209 1.338 10.959 1.00 0.60 C ATOM 1156 OG1 THR A 73 -2.832 1.633 10.862 1.00 2.46 O ATOM 1157 CG2 THR A 73 -4.365 0.442 12.195 1.00 2.34 C ATOM 0 H THR A 73 -3.245 -0.782 10.000 1.00 0.56 H new ATOM 0 HA THR A 73 -5.840 0.551 9.798 1.00 0.57 H new ATOM 0 HB THR A 73 -4.783 2.260 11.047 1.00 0.60 H new ATOM 0 HG1 THR A 73 -2.380 0.924 10.359 1.00 2.46 H new ATOM 0 HG21 THR A 73 -3.971 0.958 13.070 1.00 2.34 H new ATOM 0 HG22 THR A 73 -5.420 0.217 12.351 1.00 2.34 H new ATOM 0 HG23 THR A 73 -3.815 -0.487 12.043 1.00 2.34 H new ATOM 1165 N PHE A 74 -3.803 0.884 7.463 1.00 0.51 N ATOM 1166 CA PHE A 74 -3.453 1.478 6.178 1.00 0.53 C ATOM 1167 C PHE A 74 -4.247 0.840 5.050 1.00 0.55 C ATOM 1168 O PHE A 74 -4.301 1.384 3.954 1.00 0.65 O ATOM 1169 CB PHE A 74 -1.965 1.247 5.935 1.00 0.53 C ATOM 1170 CG PHE A 74 -1.026 1.760 6.987 1.00 0.48 C ATOM 1171 CD1 PHE A 74 -1.403 2.732 7.929 1.00 1.84 C ATOM 1172 CD2 PHE A 74 0.264 1.226 7.003 1.00 2.04 C ATOM 1173 CE1 PHE A 74 -0.498 3.123 8.926 1.00 1.90 C ATOM 1174 CE2 PHE A 74 1.187 1.679 7.936 1.00 2.08 C ATOM 1175 CZ PHE A 74 0.795 2.585 8.924 1.00 0.78 C ATOM 0 H PHE A 74 -3.435 -0.062 7.561 1.00 0.51 H new ATOM 0 HA PHE A 74 -3.685 2.543 6.200 1.00 0.53 H new ATOM 0 HB2 PHE A 74 -1.800 0.175 5.824 1.00 0.53 H new ATOM 0 HB3 PHE A 74 -1.699 1.710 4.985 1.00 0.53 H new ATOM 0 HD1 PHE A 74 -2.386 3.176 7.885 1.00 1.84 H new ATOM 0 HD2 PHE A 74 0.543 0.463 6.292 1.00 2.04 H new ATOM 0 HE1 PHE A 74 -0.794 3.830 9.686 1.00 1.90 H new ATOM 0 HE2 PHE A 74 2.209 1.331 7.898 1.00 2.08 H new ATOM 0 HZ PHE A 74 1.496 2.873 9.694 1.00 0.78 H new ATOM 1185 N ILE A 75 -4.864 -0.316 5.273 1.00 0.51 N ATOM 1186 CA ILE A 75 -5.763 -0.878 4.286 1.00 0.51 C ATOM 1187 C ILE A 75 -6.908 0.107 4.059 1.00 0.61 C ATOM 1188 O ILE A 75 -7.499 0.616 5.008 1.00 0.80 O ATOM 1189 CB ILE A 75 -6.187 -2.287 4.747 1.00 0.51 C ATOM 1190 CG1 ILE A 75 -5.681 -3.318 3.732 1.00 0.69 C ATOM 1191 CG2 ILE A 75 -7.697 -2.471 4.947 1.00 0.78 C ATOM 1192 CD1 ILE A 75 -5.553 -4.707 4.370 1.00 0.92 C ATOM 0 H ILE A 75 -4.756 -0.873 6.121 1.00 0.51 H new ATOM 0 HA ILE A 75 -5.291 -1.017 3.314 1.00 0.51 H new ATOM 0 HB ILE A 75 -5.738 -2.430 5.730 1.00 0.51 H new ATOM 0 HG12 ILE A 75 -6.366 -3.365 2.885 1.00 0.69 H new ATOM 0 HG13 ILE A 75 -4.713 -3.003 3.342 1.00 0.69 H new ATOM 0 HG21 ILE A 75 -7.899 -3.492 5.271 1.00 0.78 H new ATOM 0 HG22 ILE A 75 -8.051 -1.773 5.705 1.00 0.78 H new ATOM 0 HG23 ILE A 75 -8.215 -2.279 4.007 1.00 0.78 H new ATOM 0 HD11 ILE A 75 -5.192 -5.417 3.626 1.00 0.92 H new ATOM 0 HD12 ILE A 75 -4.849 -4.662 5.201 1.00 0.92 H new ATOM 0 HD13 ILE A 75 -6.527 -5.030 4.737 1.00 0.92 H new ATOM 1204 N ILE A 76 -7.220 0.367 2.790 1.00 0.56 N ATOM 1205 CA ILE A 76 -8.347 1.212 2.405 1.00 0.63 C ATOM 1206 C ILE A 76 -9.378 0.408 1.619 1.00 0.57 C ATOM 1207 O ILE A 76 -10.397 0.938 1.177 1.00 0.69 O ATOM 1208 CB ILE A 76 -7.849 2.451 1.642 1.00 0.73 C ATOM 1209 CG1 ILE A 76 -6.943 2.150 0.438 1.00 0.71 C ATOM 1210 CG2 ILE A 76 -7.049 3.335 2.582 1.00 0.81 C ATOM 1211 CD1 ILE A 76 -7.766 1.615 -0.713 1.00 1.04 C ATOM 0 H ILE A 76 -6.696 -0.004 1.998 1.00 0.56 H new ATOM 0 HA ILE A 76 -8.851 1.572 3.302 1.00 0.63 H new ATOM 0 HB ILE A 76 -8.753 2.929 1.264 1.00 0.73 H new ATOM 0 HG12 ILE A 76 -6.421 3.056 0.131 1.00 0.71 H new ATOM 0 HG13 ILE A 76 -6.181 1.423 0.719 1.00 0.71 H new ATOM 0 HG21 ILE A 76 -6.695 4.214 2.042 1.00 0.81 H new ATOM 0 HG22 ILE A 76 -7.681 3.649 3.412 1.00 0.81 H new ATOM 0 HG23 ILE A 76 -6.195 2.778 2.967 1.00 0.81 H new ATOM 0 HD11 ILE A 76 -7.113 1.405 -1.560 1.00 1.04 H new ATOM 0 HD12 ILE A 76 -8.268 0.697 -0.406 1.00 1.04 H new ATOM 0 HD13 ILE A 76 -8.511 2.356 -1.003 1.00 1.04 H new ATOM 1223 N GLY A 77 -9.113 -0.881 1.404 1.00 0.49 N ATOM 1224 CA GLY A 77 -9.951 -1.708 0.569 1.00 0.56 C ATOM 1225 C GLY A 77 -9.253 -3.029 0.301 1.00 0.39 C ATOM 1226 O GLY A 77 -8.181 -3.300 0.839 1.00 0.37 O ATOM 0 H GLY A 77 -8.313 -1.369 1.807 1.00 0.49 H new ATOM 0 HA2 GLY A 77 -10.909 -1.884 1.058 1.00 0.56 H new ATOM 0 HA3 GLY A 77 -10.161 -1.198 -0.371 1.00 0.56 H new ATOM 1230 N GLU A 78 -9.841 -3.847 -0.565 1.00 0.44 N ATOM 1231 CA GLU A 78 -9.244 -5.095 -1.000 1.00 0.57 C ATOM 1232 C GLU A 78 -9.290 -5.103 -2.525 1.00 0.62 C ATOM 1233 O GLU A 78 -10.154 -4.440 -3.106 1.00 0.69 O ATOM 1234 CB GLU A 78 -9.988 -6.247 -0.321 1.00 0.74 C ATOM 1235 CG GLU A 78 -9.527 -7.648 -0.716 1.00 1.76 C ATOM 1236 CD GLU A 78 -9.723 -8.622 0.457 1.00 1.84 C ATOM 1237 OE1 GLU A 78 -10.878 -8.728 0.924 1.00 2.34 O ATOM 1238 OE2 GLU A 78 -8.716 -9.200 0.933 1.00 2.86 O ATOM 0 H GLU A 78 -10.751 -3.658 -0.985 1.00 0.44 H new ATOM 0 HA GLU A 78 -8.199 -5.210 -0.712 1.00 0.57 H new ATOM 0 HB2 GLU A 78 -9.882 -6.139 0.758 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -11.050 -6.155 -0.548 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -10.090 -7.993 -1.583 1.00 1.76 H new ATOM 0 HG3 GLU A 78 -8.477 -7.625 -1.007 1.00 1.76 H new ATOM 1245 N LEU A 79 -8.328 -5.772 -3.170 1.00 0.76 N ATOM 1246 CA LEU A 79 -8.315 -5.934 -4.610 1.00 0.95 C ATOM 1247 C LEU A 79 -9.655 -6.533 -5.025 1.00 0.72 C ATOM 1248 O LEU A 79 -10.148 -7.456 -4.377 1.00 0.81 O ATOM 1249 CB LEU A 79 -7.137 -6.841 -5.017 1.00 1.49 C ATOM 1250 CG LEU A 79 -5.975 -6.038 -5.611 1.00 0.86 C ATOM 1251 CD1 LEU A 79 -5.527 -4.887 -4.719 1.00 1.58 C ATOM 1252 CD2 LEU A 79 -4.755 -6.909 -5.914 1.00 1.56 C ATOM 0 H LEU A 79 -7.539 -6.214 -2.698 1.00 0.76 H new ATOM 0 HA LEU A 79 -8.179 -4.977 -5.114 1.00 0.95 H new ATOM 0 HB2 LEU A 79 -6.787 -7.395 -4.146 1.00 1.49 H new ATOM 0 HB3 LEU A 79 -7.480 -7.576 -5.745 1.00 1.49 H new ATOM 0 HG LEU A 79 -6.375 -5.633 -6.540 1.00 0.86 H new ATOM 0 HD11 LEU A 79 -4.702 -4.358 -5.195 1.00 1.58 H new ATOM 0 HD12 LEU A 79 -6.359 -4.200 -4.566 1.00 1.58 H new ATOM 0 HD13 LEU A 79 -5.199 -5.279 -3.756 1.00 1.58 H new ATOM 0 HD21 LEU A 79 -3.961 -6.290 -6.333 1.00 1.56 H new ATOM 0 HD22 LEU A 79 -4.404 -7.376 -4.994 1.00 1.56 H new ATOM 0 HD23 LEU A 79 -5.029 -7.682 -6.632 1.00 1.56 H new ATOM 1264 N HIS A 80 -10.247 -5.984 -6.085 1.00 0.62 N ATOM 1265 CA HIS A 80 -11.546 -6.418 -6.571 1.00 0.67 C ATOM 1266 C HIS A 80 -11.638 -7.931 -6.773 1.00 0.97 C ATOM 1267 O HIS A 80 -10.638 -8.584 -7.059 1.00 1.15 O ATOM 1268 CB HIS A 80 -11.826 -5.736 -7.907 1.00 0.72 C ATOM 1269 CG HIS A 80 -13.009 -4.819 -7.873 1.00 0.78 C ATOM 1270 ND1 HIS A 80 -14.001 -4.763 -8.824 1.00 1.22 N ATOM 1271 CD2 HIS A 80 -13.286 -3.893 -6.909 1.00 0.96 C ATOM 1272 CE1 HIS A 80 -14.860 -3.801 -8.436 1.00 1.20 C ATOM 1273 NE2 HIS A 80 -14.468 -3.250 -7.277 1.00 0.98 N ATOM 0 H HIS A 80 -9.835 -5.225 -6.628 1.00 0.62 H new ATOM 0 HA HIS A 80 -12.279 -6.143 -5.812 1.00 0.67 H new ATOM 0 HB2 HIS A 80 -10.945 -5.169 -8.208 1.00 0.72 H new ATOM 0 HB3 HIS A 80 -11.989 -6.499 -8.668 1.00 0.72 H new ATOM 0 HD2 HIS A 80 -12.699 -3.695 -6.025 1.00 0.96 H new ATOM 0 HE1 HIS A 80 -15.745 -3.512 -8.984 1.00 1.20 H new ATOM 0 HE2 HIS A 80 -14.942 -2.506 -6.765 1.00 0.98 H new ATOM 1281 N PRO A 81 -12.855 -8.491 -6.713 1.00 1.33 N ATOM 1282 CA PRO A 81 -13.040 -9.927 -6.695 1.00 1.81 C ATOM 1283 C PRO A 81 -12.762 -10.566 -8.051 1.00 1.82 C ATOM 1284 O PRO A 81 -12.189 -11.655 -8.115 1.00 2.18 O ATOM 1285 CB PRO A 81 -14.491 -10.149 -6.260 1.00 2.30 C ATOM 1286 CG PRO A 81 -15.209 -8.843 -6.608 1.00 2.18 C ATOM 1287 CD PRO A 81 -14.114 -7.779 -6.607 1.00 1.55 C ATOM 0 HA PRO A 81 -12.335 -10.400 -6.012 1.00 1.81 H new ATOM 0 HB2 PRO A 81 -14.935 -10.996 -6.783 1.00 2.30 H new ATOM 0 HB3 PRO A 81 -14.556 -10.364 -5.193 1.00 2.30 H new ATOM 0 HG2 PRO A 81 -15.696 -8.907 -7.581 1.00 2.18 H new ATOM 0 HG3 PRO A 81 -15.985 -8.612 -5.878 1.00 2.18 H new ATOM 0 HD2 PRO A 81 -14.242 -7.089 -7.441 1.00 1.55 H new ATOM 0 HD3 PRO A 81 -14.149 -7.185 -5.693 1.00 1.55 H new ATOM 1295 N ASP A 82 -13.153 -9.898 -9.138 1.00 2.05 N ATOM 1296 CA ASP A 82 -12.880 -10.385 -10.483 1.00 2.15 C ATOM 1297 C ASP A 82 -11.369 -10.458 -10.707 1.00 1.99 C ATOM 1298 O ASP A 82 -10.879 -11.354 -11.394 1.00 2.11 O ATOM 1299 CB ASP A 82 -13.599 -9.506 -11.518 1.00 2.39 C ATOM 1300 CG ASP A 82 -13.062 -8.080 -11.609 1.00 3.01 C ATOM 1301 OD1 ASP A 82 -13.035 -7.427 -10.539 1.00 4.39 O ATOM 1302 OD2 ASP A 82 -12.788 -7.648 -12.747 1.00 3.62 O ATOM 0 H ASP A 82 -13.662 -9.015 -9.108 1.00 2.05 H new ATOM 0 HA ASP A 82 -13.271 -11.395 -10.605 1.00 2.15 H new ATOM 0 HB2 ASP A 82 -13.516 -9.977 -12.498 1.00 2.39 H new ATOM 0 HB3 ASP A 82 -14.660 -9.468 -11.271 1.00 2.39 H new ATOM 1307 N ASP A 83 -10.622 -9.604 -10.006 1.00 1.86 N ATOM 1308 CA ASP A 83 -9.170 -9.551 -10.023 1.00 1.94 C ATOM 1309 C ASP A 83 -8.582 -10.130 -8.726 1.00 2.17 C ATOM 1310 O ASP A 83 -7.587 -9.629 -8.201 1.00 2.70 O ATOM 1311 CB ASP A 83 -8.729 -8.109 -10.312 1.00 2.02 C ATOM 1312 CG ASP A 83 -8.786 -7.806 -11.810 1.00 3.28 C ATOM 1313 OD1 ASP A 83 -8.198 -8.610 -12.569 1.00 4.02 O ATOM 1314 OD2 ASP A 83 -9.328 -6.737 -12.164 1.00 4.13 O ATOM 0 H ASP A 83 -11.034 -8.905 -9.388 1.00 1.86 H new ATOM 0 HA ASP A 83 -8.776 -10.180 -10.821 1.00 1.94 H new ATOM 0 HB2 ASP A 83 -9.372 -7.414 -9.772 1.00 2.02 H new ATOM 0 HB3 ASP A 83 -7.714 -7.955 -9.945 1.00 2.02 H new ATOM 1319 N ARG A 84 -9.164 -11.221 -8.205 1.00 2.19 N ATOM 1320 CA ARG A 84 -8.691 -11.841 -6.957 1.00 2.65 C ATOM 1321 C ARG A 84 -8.347 -13.318 -7.106 1.00 3.00 C ATOM 1322 O ARG A 84 -7.550 -13.858 -6.342 1.00 3.50 O ATOM 1323 CB ARG A 84 -9.752 -11.648 -5.868 1.00 2.97 C ATOM 1324 CG ARG A 84 -9.217 -11.998 -4.472 1.00 3.60 C ATOM 1325 CD ARG A 84 -9.708 -13.367 -3.976 1.00 4.29 C ATOM 1326 NE ARG A 84 -8.605 -14.196 -3.471 1.00 4.69 N ATOM 1327 CZ ARG A 84 -8.703 -15.492 -3.154 1.00 5.47 C ATOM 1328 NH1 ARG A 84 -9.876 -16.117 -3.252 1.00 6.08 N ATOM 1329 NH2 ARG A 84 -7.625 -16.164 -2.749 1.00 6.11 N ATOM 0 H ARG A 84 -9.963 -11.692 -8.629 1.00 2.19 H new ATOM 0 HA ARG A 84 -7.762 -11.343 -6.680 1.00 2.65 H new ATOM 0 HB2 ARG A 84 -10.095 -10.613 -5.876 1.00 2.97 H new ATOM 0 HB3 ARG A 84 -10.617 -12.272 -6.091 1.00 2.97 H new ATOM 0 HG2 ARG A 84 -8.127 -11.993 -4.493 1.00 3.60 H new ATOM 0 HG3 ARG A 84 -9.526 -11.228 -3.765 1.00 3.60 H new ATOM 0 HD2 ARG A 84 -10.445 -13.224 -3.186 1.00 4.29 H new ATOM 0 HD3 ARG A 84 -10.211 -13.889 -4.790 1.00 4.29 H new ATOM 0 HE ARG A 84 -7.696 -13.749 -3.353 1.00 4.69 H new ATOM 0 HH11 ARG A 84 -10.701 -15.607 -3.569 1.00 6.08 H new ATOM 0 HH12 ARG A 84 -9.949 -17.105 -3.010 1.00 6.08 H new ATOM 0 HH21 ARG A 84 -6.724 -15.690 -2.681 1.00 6.11 H new ATOM 0 HH22 ARG A 84 -7.701 -17.152 -2.508 1.00 6.11 H new ATOM 1343 N SER A 85 -8.941 -14.005 -8.076 1.00 2.97 N ATOM 1344 CA SER A 85 -8.648 -15.402 -8.359 1.00 3.45 C ATOM 1345 C SER A 85 -8.587 -15.580 -9.868 1.00 3.40 C ATOM 1346 O SER A 85 -9.307 -16.390 -10.447 1.00 3.73 O ATOM 1347 CB SER A 85 -9.681 -16.293 -7.661 1.00 4.09 C ATOM 1348 OG SER A 85 -9.267 -16.505 -6.323 1.00 5.27 O ATOM 0 H SER A 85 -9.646 -13.602 -8.693 1.00 2.97 H new ATOM 0 HA SER A 85 -7.679 -15.705 -7.962 1.00 3.45 H new ATOM 0 HB2 SER A 85 -10.663 -15.821 -7.682 1.00 4.09 H new ATOM 0 HB3 SER A 85 -9.773 -17.245 -8.183 1.00 4.09 H new ATOM 0 HG SER A 85 -8.675 -15.776 -6.044 1.00 5.27 H new ATOM 1354 N LYS A 86 -7.724 -14.789 -10.514 1.00 3.60 N ATOM 1355 CA LYS A 86 -7.534 -14.893 -11.958 1.00 4.45 C ATOM 1356 C LYS A 86 -6.109 -14.535 -12.391 1.00 5.50 C ATOM 1357 O LYS A 86 -5.552 -15.197 -13.264 1.00 6.61 O ATOM 1358 CB LYS A 86 -8.596 -14.020 -12.653 1.00 4.59 C ATOM 1359 CG LYS A 86 -9.198 -14.719 -13.878 1.00 5.24 C ATOM 1360 CD LYS A 86 -8.339 -14.530 -15.131 1.00 6.64 C ATOM 1361 CE LYS A 86 -8.769 -15.486 -16.247 1.00 7.44 C ATOM 1362 NZ LYS A 86 -10.169 -15.269 -16.665 1.00 7.84 N ATOM 0 H LYS A 86 -7.152 -14.076 -10.061 1.00 3.60 H new ATOM 0 HA LYS A 86 -7.666 -15.931 -12.262 1.00 4.45 H new ATOM 0 HB2 LYS A 86 -9.389 -13.781 -11.945 1.00 4.59 H new ATOM 0 HB3 LYS A 86 -8.146 -13.075 -12.959 1.00 4.59 H new ATOM 0 HG2 LYS A 86 -9.306 -15.784 -13.670 1.00 5.24 H new ATOM 0 HG3 LYS A 86 -10.198 -14.327 -14.063 1.00 5.24 H new ATOM 0 HD2 LYS A 86 -8.421 -13.500 -15.479 1.00 6.64 H new ATOM 0 HD3 LYS A 86 -7.291 -14.701 -14.886 1.00 6.64 H new ATOM 0 HE2 LYS A 86 -8.112 -15.356 -17.107 1.00 7.44 H new ATOM 0 HE3 LYS A 86 -8.649 -16.515 -15.907 1.00 7.44 H new ATOM 0 HZ1 LYS A 86 -10.398 -15.904 -17.456 1.00 7.84 H new ATOM 0 HZ2 LYS A 86 -10.805 -15.468 -15.866 1.00 7.84 H new ATOM 0 HZ3 LYS A 86 -10.292 -14.282 -16.967 1.00 7.84 H new ATOM 1376 N LEU A 87 -5.515 -13.506 -11.784 1.00 5.52 N ATOM 1377 CA LEU A 87 -4.157 -13.049 -12.075 1.00 6.71 C ATOM 1378 C LEU A 87 -3.144 -14.165 -11.825 1.00 8.04 C ATOM 1379 O LEU A 87 -2.690 -14.342 -10.699 1.00 8.66 O ATOM 1380 CB LEU A 87 -3.800 -11.811 -11.232 1.00 6.43 C ATOM 1381 CG LEU A 87 -4.714 -10.623 -11.566 1.00 5.62 C ATOM 1382 CD1 LEU A 87 -5.748 -10.419 -10.460 1.00 5.01 C ATOM 1383 CD2 LEU A 87 -3.926 -9.324 -11.744 1.00 6.27 C ATOM 0 H LEU A 87 -5.976 -12.955 -11.060 1.00 5.52 H new ATOM 0 HA LEU A 87 -4.118 -12.772 -13.129 1.00 6.71 H new ATOM 0 HB2 LEU A 87 -3.887 -12.053 -10.173 1.00 6.43 H new ATOM 0 HB3 LEU A 87 -2.761 -11.534 -11.411 1.00 6.43 H new ATOM 0 HG LEU A 87 -5.209 -10.862 -12.508 1.00 5.62 H new ATOM 0 HD11 LEU A 87 -6.388 -9.573 -10.712 1.00 5.01 H new ATOM 0 HD12 LEU A 87 -6.357 -11.318 -10.361 1.00 5.01 H new ATOM 0 HD13 LEU A 87 -5.238 -10.220 -9.517 1.00 5.01 H new ATOM 0 HD21 LEU A 87 -4.613 -8.511 -11.979 1.00 6.27 H new ATOM 0 HD22 LEU A 87 -3.392 -9.093 -10.822 1.00 6.27 H new ATOM 0 HD23 LEU A 87 -3.210 -9.441 -12.558 1.00 6.27 H new ATOM 1395 N SER A 88 -2.805 -14.934 -12.863 1.00 8.86 N ATOM 1396 CA SER A 88 -1.884 -16.054 -12.735 1.00 10.24 C ATOM 1397 C SER A 88 -1.417 -16.519 -14.120 1.00 11.06 C ATOM 1398 O SER A 88 -1.410 -17.709 -14.425 1.00 11.44 O ATOM 1399 CB SER A 88 -2.573 -17.178 -11.949 1.00 10.29 C ATOM 1400 OG SER A 88 -1.607 -17.942 -11.259 1.00 11.61 O ATOM 0 H SER A 88 -3.162 -14.795 -13.808 1.00 8.86 H new ATOM 0 HA SER A 88 -0.993 -15.749 -12.186 1.00 10.24 H new ATOM 0 HB2 SER A 88 -3.287 -16.755 -11.243 1.00 10.29 H new ATOM 0 HB3 SER A 88 -3.137 -17.817 -12.629 1.00 10.29 H new ATOM 0 HG SER A 88 -2.052 -18.657 -10.758 1.00 11.61 H new ATOM 1406 N LYS A 89 -1.101 -15.579 -15.017 1.00 11.59 N ATOM 1407 CA LYS A 89 -0.691 -15.907 -16.380 1.00 12.62 C ATOM 1408 C LYS A 89 0.101 -14.735 -16.962 1.00 13.55 C ATOM 1409 O LYS A 89 -0.448 -13.641 -17.061 1.00 13.35 O ATOM 1410 CB LYS A 89 -1.931 -16.250 -17.228 1.00 12.38 C ATOM 1411 CG LYS A 89 -3.000 -15.141 -17.237 1.00 12.15 C ATOM 1412 CD LYS A 89 -4.424 -15.662 -17.003 1.00 12.15 C ATOM 1413 CE LYS A 89 -5.102 -16.142 -18.291 1.00 12.81 C ATOM 1414 NZ LYS A 89 -4.553 -17.418 -18.798 1.00 13.98 N ATOM 0 H LYS A 89 -1.123 -14.579 -14.818 1.00 11.59 H new ATOM 0 HA LYS A 89 -0.043 -16.784 -16.383 1.00 12.62 H new ATOM 0 HB2 LYS A 89 -1.616 -16.448 -18.253 1.00 12.38 H new ATOM 0 HB3 LYS A 89 -2.377 -17.169 -16.849 1.00 12.38 H new ATOM 0 HG2 LYS A 89 -2.759 -14.408 -16.467 1.00 12.15 H new ATOM 0 HG3 LYS A 89 -2.965 -14.621 -18.194 1.00 12.15 H new ATOM 0 HD2 LYS A 89 -4.392 -16.483 -16.287 1.00 12.15 H new ATOM 0 HD3 LYS A 89 -5.026 -14.872 -16.554 1.00 12.15 H new ATOM 0 HE2 LYS A 89 -6.170 -16.260 -18.109 1.00 12.81 H new ATOM 0 HE3 LYS A 89 -4.992 -15.376 -19.059 1.00 12.81 H new ATOM 0 HZ1 LYS A 89 -5.332 -18.027 -19.121 1.00 13.98 H new ATOM 0 HZ2 LYS A 89 -3.910 -17.228 -19.593 1.00 13.98 H new ATOM 0 HZ3 LYS A 89 -4.031 -17.898 -18.037 1.00 13.98 H new ATOM 1428 N PRO A 90 1.382 -14.912 -17.314 1.00 14.82 N ATOM 1429 CA PRO A 90 2.193 -13.860 -17.904 1.00 16.02 C ATOM 1430 C PRO A 90 1.807 -13.668 -19.376 1.00 16.53 C ATOM 1431 O PRO A 90 2.508 -14.123 -20.276 1.00 17.25 O ATOM 1432 CB PRO A 90 3.644 -14.313 -17.708 1.00 17.37 C ATOM 1433 CG PRO A 90 3.566 -15.839 -17.627 1.00 17.19 C ATOM 1434 CD PRO A 90 2.142 -16.140 -17.155 1.00 15.50 C ATOM 0 HA PRO A 90 2.044 -12.885 -17.440 1.00 16.02 H new ATOM 0 HB2 PRO A 90 4.275 -13.992 -18.537 1.00 17.37 H new ATOM 0 HB3 PRO A 90 4.072 -13.889 -16.799 1.00 17.37 H new ATOM 0 HG2 PRO A 90 3.765 -16.296 -18.596 1.00 17.19 H new ATOM 0 HG3 PRO A 90 4.305 -16.235 -16.930 1.00 17.19 H new ATOM 0 HD2 PRO A 90 1.702 -16.946 -17.742 1.00 15.50 H new ATOM 0 HD3 PRO A 90 2.140 -16.465 -16.115 1.00 15.50 H new ATOM 1442 N MET A 91 0.670 -13.021 -19.630 1.00 16.37 N ATOM 1443 CA MET A 91 0.173 -12.717 -20.967 1.00 16.94 C ATOM 1444 C MET A 91 -0.829 -11.568 -20.856 1.00 17.00 C ATOM 1445 O MET A 91 -1.204 -11.186 -19.749 1.00 16.91 O ATOM 1446 CB MET A 91 -0.500 -13.960 -21.577 1.00 17.08 C ATOM 1447 CG MET A 91 -1.507 -14.555 -20.584 1.00 17.00 C ATOM 1448 SD MET A 91 -2.727 -15.744 -21.210 1.00 17.60 S ATOM 1449 CE MET A 91 -3.921 -14.587 -21.938 1.00 17.49 C ATOM 0 H MET A 91 0.054 -12.686 -18.889 1.00 16.37 H new ATOM 0 HA MET A 91 0.998 -12.427 -21.618 1.00 16.94 H new ATOM 0 HB2 MET A 91 -1.007 -13.691 -22.504 1.00 17.08 H new ATOM 0 HB3 MET A 91 0.255 -14.704 -21.831 1.00 17.08 H new ATOM 0 HG2 MET A 91 -0.943 -15.044 -19.790 1.00 17.00 H new ATOM 0 HG3 MET A 91 -2.051 -13.729 -20.126 1.00 17.00 H new ATOM 0 HE1 MET A 91 -4.906 -15.053 -21.969 1.00 17.49 H new ATOM 0 HE2 MET A 91 -3.967 -13.682 -21.332 1.00 17.49 H new ATOM 0 HE3 MET A 91 -3.608 -14.331 -22.950 1.00 17.49 H new ATOM 1459 N GLU A 92 -1.305 -11.052 -21.990 1.00 17.36 N ATOM 1460 CA GLU A 92 -2.353 -10.041 -22.021 1.00 17.64 C ATOM 1461 C GLU A 92 -3.634 -10.676 -22.563 1.00 17.70 C ATOM 1462 O GLU A 92 -3.618 -11.835 -22.975 1.00 17.68 O ATOM 1463 CB GLU A 92 -1.892 -8.841 -22.864 1.00 18.17 C ATOM 1464 CG GLU A 92 -2.288 -7.543 -22.153 1.00 18.64 C ATOM 1465 CD GLU A 92 -1.994 -6.297 -22.990 1.00 19.73 C ATOM 1466 OE1 GLU A 92 -0.913 -6.265 -23.618 1.00 20.63 O ATOM 1467 OE2 GLU A 92 -2.839 -5.377 -22.950 1.00 19.82 O ATOM 0 H GLU A 92 -0.971 -11.327 -22.914 1.00 17.36 H new ATOM 0 HA GLU A 92 -2.560 -9.667 -21.018 1.00 17.64 H new ATOM 0 HB2 GLU A 92 -0.812 -8.876 -23.008 1.00 18.17 H new ATOM 0 HB3 GLU A 92 -2.347 -8.881 -23.854 1.00 18.17 H new ATOM 0 HG2 GLU A 92 -3.351 -7.574 -21.916 1.00 18.64 H new ATOM 0 HG3 GLU A 92 -1.752 -7.474 -21.206 1.00 18.64 H new ATOM 1474 N THR A 93 -4.748 -9.942 -22.576 1.00 17.98 N ATOM 1475 CA THR A 93 -5.989 -10.421 -23.161 1.00 18.26 C ATOM 1476 C THR A 93 -6.500 -9.383 -24.156 1.00 18.80 C ATOM 1477 O THR A 93 -6.104 -8.222 -24.082 1.00 19.12 O ATOM 1478 CB THR A 93 -7.010 -10.731 -22.050 1.00 18.24 C ATOM 1479 OG1 THR A 93 -8.153 -11.358 -22.596 1.00 18.22 O ATOM 1480 CG2 THR A 93 -7.445 -9.494 -21.248 1.00 18.65 C ATOM 0 H THR A 93 -4.809 -9.003 -22.182 1.00 17.98 H new ATOM 0 HA THR A 93 -5.824 -11.352 -23.704 1.00 18.26 H new ATOM 0 HB THR A 93 -6.501 -11.399 -21.355 1.00 18.24 H new ATOM 0 HG1 THR A 93 -8.793 -11.551 -21.880 1.00 18.22 H new ATOM 0 HG21 THR A 93 -8.164 -9.790 -20.484 1.00 18.65 H new ATOM 0 HG22 THR A 93 -6.574 -9.044 -20.771 1.00 18.65 H new ATOM 0 HG23 THR A 93 -7.906 -8.769 -21.919 1.00 18.65 H new ATOM 1488 N LEU A 94 -7.444 -9.812 -24.999 1.00 19.11 N ATOM 1489 CA LEU A 94 -8.109 -9.015 -26.020 1.00 19.74 C ATOM 1490 C LEU A 94 -7.108 -8.299 -26.926 1.00 20.34 C ATOM 1491 O LEU A 94 -7.479 -7.231 -27.457 1.00 20.61 O ATOM 1492 CB LEU A 94 -9.130 -8.091 -25.331 1.00 20.19 C ATOM 1493 CG LEU A 94 -10.457 -7.987 -26.098 1.00 20.65 C ATOM 1494 CD1 LEU A 94 -11.605 -7.898 -25.088 1.00 20.92 C ATOM 1495 CD2 LEU A 94 -10.513 -6.795 -27.059 1.00 21.15 C ATOM 1496 OXT LEU A 94 -6.028 -8.894 -27.142 1.00 20.73 O ATOM 0 H LEU A 94 -7.778 -10.776 -24.982 1.00 19.11 H new ATOM 0 HA LEU A 94 -8.662 -9.657 -26.705 1.00 19.74 H new ATOM 0 HB2 LEU A 94 -9.326 -8.461 -24.325 1.00 20.19 H new ATOM 0 HB3 LEU A 94 -8.698 -7.096 -25.226 1.00 20.19 H new ATOM 0 HG LEU A 94 -10.547 -8.880 -26.716 1.00 20.65 H new ATOM 0 HD11 LEU A 94 -12.553 -7.824 -25.621 1.00 20.92 H new ATOM 0 HD12 LEU A 94 -11.609 -8.791 -24.462 1.00 20.92 H new ATOM 0 HD13 LEU A 94 -11.471 -7.016 -24.461 1.00 20.92 H new ATOM 0 HD21 LEU A 94 -11.477 -6.782 -27.567 1.00 21.15 H new ATOM 0 HD22 LEU A 94 -10.386 -5.869 -26.498 1.00 21.15 H new ATOM 0 HD23 LEU A 94 -9.715 -6.884 -27.796 1.00 21.15 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.175 -0.596 6.187 1.00 0.47 FE HETATM 1510 CHA HEM A 95 10.982 -0.698 8.174 1.00 0.56 C HETATM 1511 CHB HEM A 95 6.171 -0.532 8.990 1.00 0.52 C HETATM 1512 CHC HEM A 95 5.397 -0.963 4.160 1.00 0.60 C HETATM 1513 CHD HEM A 95 10.185 -0.307 3.340 1.00 0.48 C HETATM 1514 NA HEM A 95 8.506 -0.656 8.212 1.00 0.52 N HETATM 1515 C1A HEM A 95 9.730 -0.743 8.789 1.00 0.56 C HETATM 1516 C2A HEM A 95 9.530 -0.889 10.212 1.00 0.60 C HETATM 1517 C3A HEM A 95 8.176 -0.795 10.451 1.00 0.62 C HETATM 1518 C4A HEM A 95 7.539 -0.630 9.169 1.00 0.54 C HETATM 1519 CMA HEM A 95 7.477 -0.855 11.794 1.00 0.69 C HETATM 1520 CAA HEM A 95 10.610 -1.169 11.227 1.00 0.66 C HETATM 1521 CBA HEM A 95 11.176 -2.589 11.084 1.00 1.77 C HETATM 1522 CGA HEM A 95 12.219 -2.929 12.146 1.00 2.18 C HETATM 1523 O1A HEM A 95 12.903 -3.955 11.948 1.00 3.06 O HETATM 1524 O2A HEM A 95 12.308 -2.175 13.139 1.00 2.69 O HETATM 1525 NB HEM A 95 6.174 -0.693 6.509 1.00 0.52 N HETATM 1526 C1B HEM A 95 5.582 -0.627 7.739 1.00 0.53 C HETATM 1527 C2B HEM A 95 4.165 -0.737 7.554 1.00 0.60 C HETATM 1528 C3B HEM A 95 3.958 -0.941 6.218 1.00 0.65 C HETATM 1529 C4B HEM A 95 5.224 -0.871 5.537 1.00 0.59 C HETATM 1530 CMB HEM A 95 3.169 -0.773 8.662 1.00 0.68 C HETATM 1531 CAB HEM A 95 2.606 -1.134 5.572 1.00 0.73 C HETATM 1532 CBB HEM A 95 2.271 -0.421 4.483 1.00 1.66 C HETATM 1533 NC HEM A 95 7.837 -0.547 4.125 1.00 0.49 N HETATM 1534 C1C HEM A 95 6.619 -0.759 3.541 1.00 0.54 C HETATM 1535 C2C HEM A 95 6.813 -0.796 2.114 1.00 0.55 C HETATM 1536 C3C HEM A 95 8.130 -0.484 1.893 1.00 0.53 C HETATM 1537 C4C HEM A 95 8.808 -0.423 3.164 1.00 0.49 C HETATM 1538 CMC HEM A 95 5.792 -1.211 1.090 1.00 0.61 C HETATM 1539 CAC HEM A 95 8.802 -0.423 0.537 1.00 0.57 C HETATM 1540 CBC HEM A 95 8.154 -0.031 -0.586 1.00 0.75 C HETATM 1541 ND HEM A 95 10.223 -0.526 5.821 1.00 0.49 N HETATM 1542 C1D HEM A 95 10.800 -0.371 4.594 1.00 0.48 C HETATM 1543 C2D HEM A 95 12.215 -0.210 4.801 1.00 0.49 C HETATM 1544 C3D HEM A 95 12.455 -0.351 6.154 1.00 0.53 C HETATM 1545 C4D HEM A 95 11.172 -0.550 6.795 1.00 0.52 C HETATM 1546 CMD HEM A 95 13.198 0.141 3.710 1.00 0.54 C HETATM 1547 CAD HEM A 95 13.776 -0.180 6.878 1.00 0.59 C HETATM 1548 CBD HEM A 95 15.021 -0.733 6.171 1.00 1.41 C HETATM 1549 CGD HEM A 95 15.900 -1.520 7.139 1.00 1.91 C HETATM 1550 O1D HEM A 95 15.775 -2.764 7.135 1.00 3.01 O HETATM 1551 O2D HEM A 95 16.670 -0.864 7.872 1.00 2.59 O HETATM 0 HMA1 HEM A 95 8.053 -1.480 12.476 1.00 0.69 H new HETATM 0 HMA2 HEM A 95 6.481 -1.279 11.667 1.00 0.69 H new HETATM 0 HMA3 HEM A 95 7.393 0.151 12.206 1.00 0.69 H new HETATM 0 HMB1 HEM A 95 3.622 -1.226 9.544 1.00 0.68 H new HETATM 0 HMB2 HEM A 95 2.305 -1.362 8.355 1.00 0.68 H new HETATM 0 HMB3 HEM A 95 2.851 0.242 8.898 1.00 0.68 H new HETATM 0 HMC1 HEM A 95 5.118 -1.948 1.526 1.00 0.61 H new HETATM 0 HMC2 HEM A 95 6.297 -1.646 0.228 1.00 0.61 H new HETATM 0 HMC3 HEM A 95 5.220 -0.339 0.773 1.00 0.61 H new HETATM 0 HMD1 HEM A 95 14.028 0.705 4.136 1.00 0.54 H new HETATM 0 HMD2 HEM A 95 12.700 0.745 2.952 1.00 0.54 H new HETATM 0 HMD3 HEM A 95 13.577 -0.773 3.254 1.00 0.54 H new HETATM 0 HBB1 HEM A 95 1.295 -0.562 4.018 1.00 1.66 H new HETATM 0 HBB2 HEM A 95 2.975 0.298 4.064 1.00 1.66 H new HETATM 0 HBC1 HEM A 95 8.683 -0.004 -1.539 1.00 0.75 H new HETATM 0 HBC2 HEM A 95 7.104 0.258 -0.537 1.00 0.75 H new HETATM 0 HBA1 HEM A 95 11.624 -2.697 10.096 1.00 1.77 H new HETATM 0 HBA2 HEM A 95 10.358 -3.307 11.144 1.00 1.77 H new HETATM 0 HAA1 HEM A 95 10.207 -1.038 12.231 1.00 0.66 H new HETATM 0 HAA2 HEM A 95 11.415 -0.444 11.110 1.00 0.66 H new HETATM 0 HBD1 HEM A 95 15.594 0.089 5.741 1.00 1.41 H new HETATM 0 HBD2 HEM A 95 14.718 -1.377 5.345 1.00 1.41 H new HETATM 0 HAD1 HEM A 95 13.695 -0.661 7.853 1.00 0.59 H new HETATM 0 HAD2 HEM A 95 13.931 0.884 7.059 1.00 0.59 H new HETATM 0 HHA HEM A 95 11.858 -0.783 8.800 1.00 0.56 H new HETATM 0 HHB HEM A 95 5.541 -0.376 9.853 1.00 0.52 H new HETATM 0 HHC HEM A 95 4.541 -1.204 3.547 1.00 0.60 H new HETATM 0 HHD HEM A 95 10.806 -0.161 2.468 1.00 0.48 H new HETATM 0 HAB HEM A 95 1.901 -1.853 5.990 1.00 0.73 H new HETATM 0 HAC HEM A 95 9.852 -0.707 0.462 1.00 0.57 H new