USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 78 LYS NZ :NH3+ -164:sc= 0.57 (180deg=0.453) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 61 ASN :FLIP amide:sc= -0.364 F(o=-1.3,f=-0.81) USER MOD Set 2.3: A 89 GLN : amide:sc= -0.451 X(o=-0.81,f=-1) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A -2 SER OG : rot 76:sc= 0.93 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -4.05 X(o=-4,f=-4.4!) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00647 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ -142:sc= 1.1 (180deg=0.277!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0863 USER MOD Single : A 12 SER OG : rot 56:sc= 0.0143 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.322 X(o=-0.32,f=0.0034) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.209 X(o=0.21,f=-0.087) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 28 SER OG : rot -28:sc= 0.155 USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -2.55! (180deg=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 110:sc= -1.67! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc=-0.00154 (180deg=-0.0767) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.31) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0398 (180deg=-0.322) USER MOD Single : A 47 ASN : amide:sc= 1.16 K(o=1.2,f=-0.1) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0978 F(o=-2.3!,f=-0.098) USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= 1.22 (180deg=0.0487) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.00116) USER MOD Single : A 62 ASN : amide:sc= -7.57! C(o=-7.6!,f=-8.8!) USER MOD Single : A 64 HIS : no HE2:sc= -1.13! C(o=-1.1!,f=-8.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 1.35 (180deg=1.14) USER MOD Single : A 74 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 145:sc= 0.404 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.81 K(o=-2.8,f=-5.8!) USER MOD Single : A 96 ASN : amide:sc= -2.74! C(o=-2.7!,f=-7.4!) USER MOD Single : A 97 THR OG1 : rot 23:sc= 1.56 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -22.957 5.643 5.282 1.00 12.65 N ATOM 2 CA MET A -4 -22.152 4.712 6.102 1.00 12.53 C ATOM 3 C MET A -4 -22.338 5.007 7.584 1.00 12.44 C ATOM 4 O MET A -4 -22.440 6.164 7.992 1.00 12.69 O ATOM 5 CB MET A -4 -20.665 4.801 5.731 1.00 12.61 C ATOM 6 CG MET A -4 -20.030 6.166 5.972 1.00 12.98 C ATOM 7 SD MET A -4 -20.693 7.455 4.896 1.00 13.01 S ATOM 8 CE MET A -4 -19.665 8.846 5.360 1.00 13.01 C ATOM 0 H1 MET A -4 -23.352 5.134 4.466 1.00 12.65 H new ATOM 0 H2 MET A -4 -23.733 6.030 5.857 1.00 12.65 H new ATOM 0 H3 MET A -4 -22.354 6.421 4.946 1.00 12.65 H new ATOM 0 HA MET A -4 -22.499 3.699 5.898 1.00 12.53 H new ATOM 0 HB2 MET A -4 -20.116 4.054 6.304 1.00 12.61 H new ATOM 0 HB3 MET A -4 -20.551 4.543 4.678 1.00 12.61 H new ATOM 0 HG2 MET A -4 -20.185 6.454 7.012 1.00 12.98 H new ATOM 0 HG3 MET A -4 -18.953 6.091 5.819 1.00 12.98 H new ATOM 0 HE1 MET A -4 -19.954 9.722 4.779 1.00 13.01 H new ATOM 0 HE2 MET A -4 -19.794 9.056 6.422 1.00 13.01 H new ATOM 0 HE3 MET A -4 -18.620 8.608 5.162 1.00 13.01 H new ATOM 20 N ARG A -3 -22.400 3.955 8.383 1.00 12.29 N ATOM 21 CA ARG A -3 -22.554 4.092 9.824 1.00 12.43 C ATOM 22 C ARG A -3 -21.680 3.074 10.543 1.00 12.49 C ATOM 23 O ARG A -3 -21.048 3.381 11.551 1.00 13.19 O ATOM 24 CB ARG A -3 -24.020 3.904 10.230 1.00 12.66 C ATOM 25 CG ARG A -3 -24.264 4.046 11.726 1.00 13.08 C ATOM 26 CD ARG A -3 -25.724 3.815 12.082 1.00 13.33 C ATOM 27 NE ARG A -3 -26.169 2.464 11.742 1.00 13.68 N ATOM 28 CZ ARG A -3 -27.428 2.041 11.847 1.00 13.98 C ATOM 29 NH1 ARG A -3 -28.380 2.858 12.286 1.00 13.97 N ATOM 30 NH2 ARG A -3 -27.735 0.796 11.511 1.00 14.46 N ATOM 0 H ARG A -3 -22.346 2.990 8.057 1.00 12.29 H new ATOM 0 HA ARG A -3 -22.241 5.096 10.110 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -24.631 4.635 9.700 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -24.353 2.917 9.909 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -23.641 3.333 12.266 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -23.963 5.042 12.051 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -25.867 3.985 13.149 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -26.343 4.542 11.557 1.00 13.33 H new ATOM 0 HE ARG A -3 -25.470 1.803 11.403 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -28.149 3.817 12.546 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -29.341 2.526 12.363 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -27.008 0.165 11.173 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -28.698 0.469 11.590 1.00 14.46 H new ATOM 44 N SER A -2 -21.643 1.866 10.008 1.00 11.93 N ATOM 45 CA SER A -2 -20.856 0.795 10.588 1.00 12.17 C ATOM 46 C SER A -2 -19.399 0.897 10.149 1.00 11.88 C ATOM 47 O SER A -2 -19.113 1.285 9.014 1.00 11.14 O ATOM 48 CB SER A -2 -21.442 -0.551 10.167 1.00 12.01 C ATOM 49 OG SER A -2 -21.623 -0.604 8.761 1.00 11.89 O ATOM 0 H SER A -2 -22.154 1.602 9.166 1.00 11.93 H new ATOM 0 HA SER A -2 -20.889 0.881 11.674 1.00 12.17 H new ATOM 0 HB2 SER A -2 -20.779 -1.356 10.483 1.00 12.01 H new ATOM 0 HB3 SER A -2 -22.397 -0.709 10.667 1.00 12.01 H new ATOM 0 HG SER A -2 -20.756 -0.740 8.324 1.00 11.89 H new ATOM 55 N PRO A -1 -18.458 0.575 11.046 1.00 12.62 N ATOM 56 CA PRO A -1 -17.033 0.565 10.719 1.00 12.63 C ATOM 57 C PRO A -1 -16.686 -0.578 9.768 1.00 12.19 C ATOM 58 O PRO A -1 -17.106 -1.721 9.972 1.00 12.50 O ATOM 59 CB PRO A -1 -16.351 0.368 12.075 1.00 13.78 C ATOM 60 CG PRO A -1 -17.373 -0.302 12.926 1.00 14.31 C ATOM 61 CD PRO A -1 -18.708 0.201 12.450 1.00 13.65 C ATOM 0 HA PRO A -1 -16.717 1.476 10.210 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -15.454 -0.243 11.980 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -16.043 1.321 12.504 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -17.309 -1.386 12.831 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -17.220 -0.064 13.979 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -19.477 -0.567 12.529 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -19.048 1.054 13.038 1.00 13.65 H new ATOM 69 N GLY A 0 -15.931 -0.265 8.728 1.00 11.64 N ATOM 70 CA GLY A 0 -15.567 -1.270 7.750 1.00 11.36 C ATOM 71 C GLY A 0 -16.100 -0.942 6.372 1.00 10.34 C ATOM 72 O GLY A 0 -16.063 -1.775 5.465 1.00 10.25 O ATOM 0 H GLY A 0 -15.563 0.668 8.542 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -14.481 -1.357 7.707 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -15.952 -2.239 8.066 1.00 11.36 H new ATOM 76 N MET A 1 -16.614 0.268 6.216 1.00 9.76 N ATOM 77 CA MET A 1 -17.089 0.733 4.922 1.00 8.91 C ATOM 78 C MET A 1 -16.221 1.877 4.420 1.00 7.94 C ATOM 79 O MET A 1 -16.128 2.922 5.064 1.00 7.83 O ATOM 80 CB MET A 1 -18.552 1.188 4.995 1.00 9.07 C ATOM 81 CG MET A 1 -19.564 0.053 4.939 1.00 9.23 C ATOM 82 SD MET A 1 -19.530 -1.009 6.395 1.00 9.52 S ATOM 83 CE MET A 1 -20.781 -2.211 5.952 1.00 10.00 C ATOM 0 H MET A 1 -16.713 0.947 6.971 1.00 9.76 H new ATOM 0 HA MET A 1 -17.024 -0.103 4.226 1.00 8.91 H new ATOM 0 HB2 MET A 1 -18.701 1.747 5.919 1.00 9.07 H new ATOM 0 HB3 MET A 1 -18.748 1.875 4.172 1.00 9.07 H new ATOM 0 HG2 MET A 1 -20.564 0.473 4.828 1.00 9.23 H new ATOM 0 HG3 MET A 1 -19.372 -0.552 4.053 1.00 9.23 H new ATOM 0 HE1 MET A 1 -20.882 -2.943 6.753 1.00 10.00 H new ATOM 0 HE2 MET A 1 -21.734 -1.705 5.800 1.00 10.00 H new ATOM 0 HE3 MET A 1 -20.489 -2.718 5.032 1.00 10.00 H new ATOM 93 N ALA A 2 -15.567 1.663 3.290 1.00 7.42 N ATOM 94 CA ALA A 2 -14.766 2.701 2.658 1.00 6.49 C ATOM 95 C ALA A 2 -15.486 3.261 1.441 1.00 5.57 C ATOM 96 O ALA A 2 -16.576 2.800 1.087 1.00 5.73 O ATOM 97 CB ALA A 2 -13.406 2.157 2.264 1.00 6.46 C ATOM 0 H ALA A 2 -15.575 0.775 2.788 1.00 7.42 H new ATOM 0 HA ALA A 2 -14.620 3.508 3.376 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -12.821 2.947 1.793 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -12.885 1.800 3.153 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -13.533 1.332 1.563 1.00 6.46 H new ATOM 103 N ASP A 3 -14.875 4.240 0.797 1.00 4.82 N ATOM 104 CA ASP A 3 -15.476 4.869 -0.367 1.00 4.07 C ATOM 105 C ASP A 3 -14.904 4.267 -1.640 1.00 3.42 C ATOM 106 O ASP A 3 -14.030 3.402 -1.594 1.00 3.36 O ATOM 107 CB ASP A 3 -15.272 6.379 -0.337 1.00 3.92 C ATOM 108 CG ASP A 3 -16.362 7.116 -1.088 1.00 3.91 C ATOM 109 OD1 ASP A 3 -16.217 7.313 -2.310 1.00 4.05 O ATOM 110 OD2 ASP A 3 -17.365 7.511 -0.459 1.00 4.23 O ATOM 0 H ASP A 3 -13.964 4.617 1.060 1.00 4.82 H new ATOM 0 HA ASP A 3 -16.549 4.681 -0.347 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -15.250 6.721 0.698 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -14.303 6.622 -0.774 1.00 3.92 H new ATOM 115 N GLN A 4 -15.420 4.704 -2.768 1.00 3.34 N ATOM 116 CA GLN A 4 -15.076 4.099 -4.047 1.00 3.48 C ATOM 117 C GLN A 4 -14.204 5.000 -4.919 1.00 2.99 C ATOM 118 O GLN A 4 -13.416 4.501 -5.721 1.00 3.54 O ATOM 119 CB GLN A 4 -16.352 3.715 -4.790 1.00 4.26 C ATOM 120 CG GLN A 4 -17.378 4.833 -4.868 1.00 4.71 C ATOM 121 CD GLN A 4 -18.657 4.395 -5.547 1.00 5.51 C ATOM 122 OE1 GLN A 4 -19.581 3.902 -4.899 1.00 5.74 O ATOM 123 NE2 GLN A 4 -18.719 4.576 -6.851 1.00 6.23 N ATOM 0 H GLN A 4 -16.082 5.478 -2.831 1.00 3.34 H new ATOM 0 HA GLN A 4 -14.484 3.209 -3.835 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -16.092 3.402 -5.801 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -16.803 2.854 -4.296 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -17.606 5.184 -3.862 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -16.952 5.676 -5.411 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -17.929 4.988 -7.347 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -19.557 4.304 -7.364 1.00 6.23 H new ATOM 132 N ARG A 5 -14.353 6.314 -4.781 1.00 2.50 N ATOM 133 CA ARG A 5 -13.613 7.258 -5.614 1.00 2.68 C ATOM 134 C ARG A 5 -12.103 7.087 -5.475 1.00 2.06 C ATOM 135 O ARG A 5 -11.434 6.730 -6.446 1.00 2.58 O ATOM 136 CB ARG A 5 -14.010 8.697 -5.288 1.00 3.25 C ATOM 137 CG ARG A 5 -15.398 9.078 -5.775 1.00 4.11 C ATOM 138 CD ARG A 5 -16.488 8.366 -5.001 1.00 4.98 C ATOM 139 NE ARG A 5 -17.824 8.826 -5.361 1.00 5.72 N ATOM 140 CZ ARG A 5 -18.875 8.740 -4.546 1.00 6.72 C ATOM 141 NH1 ARG A 5 -18.730 8.214 -3.332 1.00 7.07 N ATOM 142 NH2 ARG A 5 -20.059 9.189 -4.940 1.00 7.54 N ATOM 0 H ARG A 5 -14.978 6.749 -4.102 1.00 2.50 H new ATOM 0 HA ARG A 5 -13.877 7.041 -6.649 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -13.962 8.841 -4.209 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -13.281 9.374 -5.733 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -15.532 10.156 -5.681 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -15.489 8.837 -6.834 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -16.416 7.294 -5.182 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -16.330 8.520 -3.934 1.00 4.98 H new ATOM 0 HE ARG A 5 -17.961 9.235 -6.285 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -17.816 7.878 -3.028 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -19.533 8.147 -2.706 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -20.166 9.600 -5.867 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -20.863 9.123 -4.316 1.00 7.54 H new ATOM 156 N GLN A 6 -11.581 7.334 -4.270 1.00 1.28 N ATOM 157 CA GLN A 6 -10.138 7.270 -4.006 1.00 0.78 C ATOM 158 C GLN A 6 -9.395 8.356 -4.787 1.00 0.83 C ATOM 159 O GLN A 6 -9.244 8.278 -6.005 1.00 1.14 O ATOM 160 CB GLN A 6 -9.592 5.879 -4.333 1.00 0.87 C ATOM 161 CG GLN A 6 -10.129 4.799 -3.407 1.00 0.82 C ATOM 162 CD GLN A 6 -10.144 3.434 -4.045 1.00 1.10 C ATOM 163 OE1 GLN A 6 -10.257 3.299 -5.263 1.00 1.97 O ATOM 164 NE2 GLN A 6 -10.056 2.409 -3.222 1.00 1.15 N ATOM 0 H GLN A 6 -12.141 7.582 -3.454 1.00 1.28 H new ATOM 0 HA GLN A 6 -9.973 7.453 -2.944 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -9.847 5.627 -5.362 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.504 5.897 -4.269 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -9.520 4.766 -2.504 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -11.141 5.062 -3.099 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -9.963 2.567 -2.219 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -10.080 1.457 -3.588 1.00 1.15 H new ATOM 173 N ARG A 7 -8.921 9.365 -4.070 1.00 0.84 N ATOM 174 CA ARG A 7 -8.406 10.578 -4.697 1.00 1.03 C ATOM 175 C ARG A 7 -7.018 10.969 -4.194 1.00 0.98 C ATOM 176 O ARG A 7 -6.558 12.084 -4.442 1.00 1.17 O ATOM 177 CB ARG A 7 -9.392 11.710 -4.426 1.00 1.18 C ATOM 178 CG ARG A 7 -9.827 11.800 -2.967 1.00 1.16 C ATOM 179 CD ARG A 7 -8.791 12.472 -2.080 1.00 1.14 C ATOM 180 NE ARG A 7 -9.224 12.511 -0.684 1.00 1.61 N ATOM 181 CZ ARG A 7 -8.395 12.578 0.355 1.00 1.80 C ATOM 182 NH1 ARG A 7 -7.088 12.696 0.164 1.00 1.51 N ATOM 183 NH2 ARG A 7 -8.879 12.545 1.589 1.00 2.67 N ATOM 0 H ARG A 7 -8.882 9.369 -3.051 1.00 0.84 H new ATOM 0 HA ARG A 7 -8.303 10.388 -5.765 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -8.937 12.656 -4.721 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -10.273 11.571 -5.052 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -10.764 12.354 -2.906 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -10.025 10.797 -2.590 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -7.845 11.936 -2.154 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -8.611 13.487 -2.434 1.00 1.14 H new ATOM 0 HE ARG A 7 -10.226 12.485 -0.494 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -6.713 12.736 -0.784 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -6.458 12.747 0.965 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -9.885 12.468 1.740 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -8.246 12.596 2.387 1.00 2.67 H new ATOM 197 N SER A 8 -6.352 10.069 -3.499 1.00 0.77 N ATOM 198 CA SER A 8 -5.076 10.372 -2.913 1.00 0.75 C ATOM 199 C SER A 8 -3.922 9.894 -3.798 1.00 0.75 C ATOM 200 O SER A 8 -3.339 10.675 -4.551 1.00 1.06 O ATOM 201 CB SER A 8 -5.022 9.698 -1.554 1.00 0.65 C ATOM 202 OG SER A 8 -6.122 10.086 -0.749 1.00 1.38 O ATOM 0 H SER A 8 -6.681 9.119 -3.330 1.00 0.77 H new ATOM 0 HA SER A 8 -4.966 11.452 -2.812 1.00 0.75 H new ATOM 0 HB2 SER A 8 -5.024 8.615 -1.681 1.00 0.65 H new ATOM 0 HB3 SER A 8 -4.090 9.958 -1.052 1.00 0.65 H new ATOM 0 HG SER A 8 -6.066 9.637 0.120 1.00 1.38 H new ATOM 208 N LEU A 9 -3.610 8.611 -3.720 1.00 0.54 N ATOM 209 CA LEU A 9 -2.517 8.034 -4.491 1.00 0.53 C ATOM 210 C LEU A 9 -3.051 7.397 -5.773 1.00 0.55 C ATOM 211 O LEU A 9 -4.188 7.651 -6.167 1.00 0.59 O ATOM 212 CB LEU A 9 -1.696 7.025 -3.648 1.00 0.44 C ATOM 213 CG LEU A 9 -2.461 5.968 -2.837 1.00 0.35 C ATOM 214 CD1 LEU A 9 -2.894 6.527 -1.492 1.00 0.66 C ATOM 215 CD2 LEU A 9 -3.656 5.447 -3.608 1.00 0.65 C ATOM 0 H LEU A 9 -4.102 7.943 -3.126 1.00 0.54 H new ATOM 0 HA LEU A 9 -1.835 8.837 -4.771 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.018 6.502 -4.322 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.079 7.595 -2.954 1.00 0.44 H new ATOM 0 HG LEU A 9 -1.785 5.132 -2.659 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.434 5.760 -0.936 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.015 6.835 -0.926 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -3.545 7.388 -1.648 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.178 4.701 -3.009 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.333 6.272 -3.831 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.318 4.993 -4.540 1.00 0.65 H new HETATM 227 N SEP A 10 -2.243 6.581 -6.423 1.00 0.56 N HETATM 228 CA SEP A 10 -2.660 5.934 -7.651 1.00 0.60 C HETATM 229 CB SEP A 10 -1.506 5.888 -8.650 1.00 0.74 C HETATM 230 OG SEP A 10 -1.091 7.203 -9.010 1.00 1.08 O HETATM 231 C SEP A 10 -3.163 4.538 -7.340 1.00 0.47 C HETATM 232 O SEP A 10 -2.394 3.666 -6.934 1.00 0.46 O HETATM 233 P SEP A 10 0.438 7.097 -9.512 1.00 1.55 P HETATM 234 O1P SEP A 10 0.507 6.001 -10.645 1.00 2.41 O HETATM 235 O2P SEP A 10 1.305 6.513 -8.316 1.00 2.39 O HETATM 236 O3P SEP A 10 0.863 8.460 -9.945 1.00 2.04 O HETATM 0 HB3 SEP A 10 -0.667 5.343 -8.217 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -1.814 5.343 -9.542 1.00 0.74 H new HETATM 0 HA SEP A 10 -3.469 6.507 -8.104 1.00 0.60 H new HETATM 0 H SEP A 10 -1.288 6.928 -6.328 1.00 0.56 H new ATOM 241 N THR A 11 -4.461 4.341 -7.494 1.00 0.43 N ATOM 242 CA THR A 11 -5.088 3.080 -7.152 1.00 0.36 C ATOM 243 C THR A 11 -4.763 1.979 -8.152 1.00 0.37 C ATOM 244 O THR A 11 -5.533 1.701 -9.073 1.00 0.44 O ATOM 245 CB THR A 11 -6.610 3.237 -7.023 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.077 4.229 -7.949 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.982 3.627 -5.604 1.00 0.54 C ATOM 0 H THR A 11 -5.104 5.045 -7.857 1.00 0.43 H new ATOM 0 HA THR A 11 -4.676 2.783 -6.187 1.00 0.36 H new ATOM 0 HB THR A 11 -7.084 2.283 -7.255 1.00 0.44 H new ATOM 0 HG1 THR A 11 -8.049 4.324 -7.864 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.064 3.735 -5.528 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.645 2.854 -4.914 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.505 4.573 -5.350 1.00 0.54 H new ATOM 255 N SER A 12 -3.597 1.387 -7.982 1.00 0.36 N ATOM 256 CA SER A 12 -3.221 0.211 -8.732 1.00 0.40 C ATOM 257 C SER A 12 -2.552 -0.793 -7.806 1.00 0.34 C ATOM 258 O SER A 12 -1.325 -0.916 -7.770 1.00 0.41 O ATOM 259 CB SER A 12 -2.302 0.591 -9.894 1.00 0.53 C ATOM 260 OG SER A 12 -1.313 1.521 -9.479 1.00 1.26 O ATOM 0 H SER A 12 -2.888 1.708 -7.322 1.00 0.36 H new ATOM 0 HA SER A 12 -4.114 -0.250 -9.154 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.821 -0.304 -10.289 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.892 1.020 -10.704 1.00 0.53 H new ATOM 0 HG SER A 12 -0.812 1.150 -8.723 1.00 1.26 H new ATOM 266 N GLY A 13 -3.376 -1.502 -7.046 1.00 0.28 N ATOM 267 CA GLY A 13 -2.873 -2.491 -6.118 1.00 0.29 C ATOM 268 C GLY A 13 -2.287 -3.681 -6.838 1.00 0.27 C ATOM 269 O GLY A 13 -1.539 -4.464 -6.264 1.00 0.27 O ATOM 0 H GLY A 13 -4.392 -1.407 -7.058 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.112 -2.040 -5.481 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.680 -2.822 -5.465 1.00 0.29 H new ATOM 273 N GLU A 14 -2.603 -3.788 -8.115 1.00 0.28 N ATOM 274 CA GLU A 14 -2.152 -4.902 -8.931 1.00 0.26 C ATOM 275 C GLU A 14 -0.664 -4.789 -9.248 1.00 0.20 C ATOM 276 O GLU A 14 -0.076 -5.687 -9.841 1.00 0.23 O ATOM 277 CB GLU A 14 -2.966 -4.964 -10.222 1.00 0.32 C ATOM 278 CG GLU A 14 -2.997 -3.651 -10.988 1.00 0.35 C ATOM 279 CD GLU A 14 -3.883 -3.723 -12.209 1.00 0.95 C ATOM 280 OE1 GLU A 14 -3.407 -4.182 -13.267 1.00 0.99 O ATOM 281 OE2 GLU A 14 -5.064 -3.330 -12.110 1.00 1.60 O ATOM 0 H GLU A 14 -3.177 -3.109 -8.615 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.304 -5.822 -8.366 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.552 -5.740 -10.865 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.988 -5.259 -9.983 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.351 -2.857 -10.330 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.984 -3.385 -11.291 1.00 0.35 H new ATOM 288 N SER A 15 -0.060 -3.679 -8.855 1.00 0.21 N ATOM 289 CA SER A 15 1.362 -3.477 -9.064 1.00 0.22 C ATOM 290 C SER A 15 2.150 -3.984 -7.858 1.00 0.19 C ATOM 291 O SER A 15 3.371 -4.048 -7.901 1.00 0.22 O ATOM 292 CB SER A 15 1.660 -1.997 -9.306 1.00 0.31 C ATOM 293 OG SER A 15 2.914 -1.816 -9.946 1.00 0.74 O ATOM 0 H SER A 15 -0.534 -2.905 -8.390 1.00 0.21 H new ATOM 0 HA SER A 15 1.667 -4.041 -9.945 1.00 0.22 H new ATOM 0 HB2 SER A 15 0.871 -1.562 -9.920 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.655 -1.464 -8.355 1.00 0.31 H new ATOM 0 HG SER A 15 3.074 -0.860 -10.088 1.00 0.74 H new ATOM 299 N LEU A 16 1.432 -4.328 -6.786 1.00 0.16 N ATOM 300 CA LEU A 16 2.028 -4.745 -5.505 1.00 0.14 C ATOM 301 C LEU A 16 3.250 -5.639 -5.671 1.00 0.14 C ATOM 302 O LEU A 16 4.340 -5.286 -5.229 1.00 0.16 O ATOM 303 CB LEU A 16 0.984 -5.473 -4.667 1.00 0.16 C ATOM 304 CG LEU A 16 0.371 -4.657 -3.533 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.315 -3.179 -3.888 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.018 -5.180 -3.222 1.00 0.18 C ATOM 0 H LEU A 16 0.412 -4.326 -6.778 1.00 0.16 H new ATOM 0 HA LEU A 16 2.362 -3.835 -5.006 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.183 -5.807 -5.326 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.442 -6.367 -4.243 1.00 0.16 H new ATOM 0 HG LEU A 16 1.001 -4.762 -2.650 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.126 -2.623 -3.061 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.324 -2.811 -4.075 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.293 -3.042 -4.783 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.454 -4.596 -2.412 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.646 -5.095 -4.109 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.954 -6.226 -2.921 1.00 0.18 H new ATOM 318 N TYR A 17 3.070 -6.784 -6.315 1.00 0.17 N ATOM 319 CA TYR A 17 4.154 -7.753 -6.476 1.00 0.20 C ATOM 320 C TYR A 17 5.322 -7.172 -7.274 1.00 0.24 C ATOM 321 O TYR A 17 6.439 -7.673 -7.203 1.00 0.34 O ATOM 322 CB TYR A 17 3.640 -9.029 -7.153 1.00 0.25 C ATOM 323 CG TYR A 17 2.845 -8.792 -8.418 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.476 -8.629 -9.646 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.458 -8.735 -8.382 1.00 0.69 C ATOM 326 CE1 TYR A 17 2.747 -8.411 -10.798 1.00 1.66 C ATOM 327 CE2 TYR A 17 0.725 -8.520 -9.529 1.00 1.08 C ATOM 328 CZ TYR A 17 1.371 -8.358 -10.734 1.00 1.53 C ATOM 329 OH TYR A 17 0.638 -8.132 -11.876 1.00 1.99 O ATOM 0 H TYR A 17 2.185 -7.068 -6.736 1.00 0.17 H new ATOM 0 HA TYR A 17 4.519 -7.999 -5.479 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.491 -9.668 -7.388 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.017 -9.575 -6.445 1.00 0.25 H new ATOM 0 HD1 TYR A 17 4.554 -8.674 -9.700 1.00 1.22 H new ATOM 0 HD2 TYR A 17 0.945 -8.861 -7.440 1.00 0.69 H new ATOM 0 HE1 TYR A 17 3.252 -8.283 -11.744 1.00 1.66 H new ATOM 0 HE2 TYR A 17 -0.353 -8.479 -9.483 1.00 1.08 H new ATOM 0 HH TYR A 17 -0.317 -8.126 -11.656 1.00 1.99 H new ATOM 339 N HIS A 18 5.055 -6.112 -8.027 1.00 0.22 N ATOM 340 CA HIS A 18 6.078 -5.455 -8.835 1.00 0.26 C ATOM 341 C HIS A 18 6.753 -4.357 -8.028 1.00 0.23 C ATOM 342 O HIS A 18 7.930 -4.054 -8.224 1.00 0.29 O ATOM 343 CB HIS A 18 5.446 -4.857 -10.103 1.00 0.31 C ATOM 344 CG HIS A 18 6.434 -4.478 -11.171 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.382 -4.985 -12.449 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.496 -3.638 -11.150 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.366 -4.479 -13.164 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.061 -3.658 -12.401 1.00 1.74 N ATOM 0 H HIS A 18 4.131 -5.685 -8.096 1.00 0.22 H new ATOM 0 HA HIS A 18 6.825 -6.194 -9.125 1.00 0.26 H new ATOM 0 HB2 HIS A 18 4.741 -5.578 -10.517 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.872 -3.973 -9.826 1.00 0.31 H new ATOM 0 HD2 HIS A 18 7.836 -3.059 -10.304 1.00 1.37 H new ATOM 0 HE1 HIS A 18 7.569 -4.700 -14.201 1.00 1.96 H new ATOM 0 HE2 HIS A 18 8.882 -3.126 -12.692 1.00 1.74 H new ATOM 357 N VAL A 19 5.992 -3.783 -7.112 1.00 0.17 N ATOM 358 CA VAL A 19 6.446 -2.676 -6.283 1.00 0.16 C ATOM 359 C VAL A 19 7.726 -3.043 -5.536 1.00 0.17 C ATOM 360 O VAL A 19 8.642 -2.229 -5.403 1.00 0.20 O ATOM 361 CB VAL A 19 5.335 -2.265 -5.283 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.853 -1.300 -4.238 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.160 -1.645 -6.019 1.00 0.19 C ATOM 0 H VAL A 19 5.033 -4.074 -6.920 1.00 0.17 H new ATOM 0 HA VAL A 19 6.665 -1.829 -6.933 1.00 0.16 H new ATOM 0 HB VAL A 19 5.004 -3.170 -4.774 1.00 0.15 H new ATOM 0 HG11 VAL A 19 5.046 -1.035 -3.555 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.662 -1.770 -3.678 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.225 -0.400 -4.727 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.389 -1.362 -5.302 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.495 -0.760 -6.559 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.751 -2.367 -6.725 1.00 0.19 H new ATOM 373 N LEU A 20 7.788 -4.279 -5.070 1.00 0.18 N ATOM 374 CA LEU A 20 8.948 -4.752 -4.326 1.00 0.24 C ATOM 375 C LEU A 20 9.586 -5.973 -4.983 1.00 0.27 C ATOM 376 O LEU A 20 10.794 -6.179 -4.887 1.00 0.33 O ATOM 377 CB LEU A 20 8.573 -5.062 -2.873 1.00 0.28 C ATOM 378 CG LEU A 20 7.081 -4.999 -2.541 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.345 -6.176 -3.149 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.875 -4.958 -1.034 1.00 0.28 C ATOM 0 H LEU A 20 7.051 -4.974 -5.192 1.00 0.18 H new ATOM 0 HA LEU A 20 9.686 -3.950 -4.334 1.00 0.24 H new ATOM 0 HB2 LEU A 20 8.938 -6.059 -2.629 1.00 0.28 H new ATOM 0 HB3 LEU A 20 9.100 -4.362 -2.225 1.00 0.28 H new ATOM 0 HG LEU A 20 6.672 -4.085 -2.971 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.286 -6.111 -2.900 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.465 -6.160 -4.232 1.00 0.25 H new ATOM 0 HD13 LEU A 20 6.754 -7.105 -2.752 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.808 -4.913 -0.814 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.301 -5.855 -0.584 1.00 0.28 H new ATOM 0 HD23 LEU A 20 7.368 -4.077 -0.623 1.00 0.28 H new ATOM 392 N GLY A 21 8.778 -6.779 -5.655 1.00 0.27 N ATOM 393 CA GLY A 21 9.288 -8.005 -6.240 1.00 0.32 C ATOM 394 C GLY A 21 8.942 -9.216 -5.396 1.00 0.34 C ATOM 395 O GLY A 21 9.376 -10.330 -5.680 1.00 0.65 O ATOM 0 H GLY A 21 7.784 -6.609 -5.806 1.00 0.27 H new ATOM 0 HA2 GLY A 21 8.875 -8.129 -7.241 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.370 -7.934 -6.348 1.00 0.32 H new ATOM 399 N LEU A 22 8.169 -8.985 -4.348 1.00 0.19 N ATOM 400 CA LEU A 22 7.704 -10.053 -3.477 1.00 0.16 C ATOM 401 C LEU A 22 6.200 -10.210 -3.664 1.00 0.17 C ATOM 402 O LEU A 22 5.528 -9.264 -4.076 1.00 0.19 O ATOM 403 CB LEU A 22 8.025 -9.708 -2.015 1.00 0.14 C ATOM 404 CG LEU A 22 8.319 -10.884 -1.062 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.584 -12.176 -1.818 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.515 -10.556 -0.200 1.00 0.18 C ATOM 0 H LEU A 22 7.847 -8.056 -4.077 1.00 0.19 H new ATOM 0 HA LEU A 22 8.205 -10.988 -3.728 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.888 -9.042 -2.007 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.185 -9.145 -1.608 1.00 0.14 H new ATOM 0 HG LEU A 22 7.435 -11.032 -0.441 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.786 -12.978 -1.108 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.710 -12.433 -2.416 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.446 -12.045 -2.472 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.719 -11.390 0.472 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.384 -10.380 -0.835 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.307 -9.661 0.386 1.00 0.18 H new ATOM 418 N ASP A 23 5.688 -11.399 -3.382 1.00 0.18 N ATOM 419 CA ASP A 23 4.252 -11.673 -3.450 1.00 0.21 C ATOM 420 C ASP A 23 3.959 -13.107 -3.080 1.00 0.23 C ATOM 421 O ASP A 23 4.326 -14.020 -3.806 1.00 0.26 O ATOM 422 CB ASP A 23 3.655 -11.388 -4.839 1.00 0.29 C ATOM 423 CG ASP A 23 4.224 -12.242 -5.964 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.439 -12.147 -6.251 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.441 -12.997 -6.580 1.00 1.13 O ATOM 0 H ASP A 23 6.251 -12.202 -3.100 1.00 0.18 H new ATOM 0 HA ASP A 23 3.785 -10.997 -2.734 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.577 -11.542 -4.794 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.818 -10.338 -5.081 1.00 0.29 H new ATOM 430 N LYS A 24 3.336 -13.286 -1.916 1.00 0.23 N ATOM 431 CA LYS A 24 2.765 -14.569 -1.464 1.00 0.28 C ATOM 432 C LYS A 24 3.733 -15.757 -1.547 1.00 0.28 C ATOM 433 O LYS A 24 3.329 -16.898 -1.335 1.00 0.34 O ATOM 434 CB LYS A 24 1.475 -14.881 -2.238 1.00 0.35 C ATOM 435 CG LYS A 24 1.665 -15.079 -3.736 1.00 0.37 C ATOM 436 CD LYS A 24 1.562 -16.546 -4.131 1.00 0.43 C ATOM 437 CE LYS A 24 2.886 -17.094 -4.633 1.00 0.50 C ATOM 438 NZ LYS A 24 2.771 -18.513 -5.057 1.00 1.42 N ATOM 0 H LYS A 24 3.208 -12.532 -1.241 1.00 0.23 H new ATOM 0 HA LYS A 24 2.547 -14.437 -0.404 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.025 -15.782 -1.820 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.766 -14.068 -2.080 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.914 -14.504 -4.277 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.639 -14.690 -4.033 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.230 -17.130 -3.273 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.805 -16.660 -4.907 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.234 -16.491 -5.472 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.636 -17.009 -3.847 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.695 -18.851 -5.393 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.463 -19.093 -4.250 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 2.074 -18.590 -5.825 1.00 1.42 H new ATOM 452 N ASN A 25 4.994 -15.498 -1.839 1.00 0.25 N ATOM 453 CA ASN A 25 5.996 -16.548 -1.851 1.00 0.28 C ATOM 454 C ASN A 25 6.767 -16.518 -0.550 1.00 0.25 C ATOM 455 O ASN A 25 7.191 -17.544 -0.025 1.00 0.31 O ATOM 456 CB ASN A 25 6.979 -16.387 -3.015 1.00 0.31 C ATOM 457 CG ASN A 25 6.399 -16.799 -4.352 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.432 -17.973 -4.717 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.890 -15.838 -5.101 1.00 0.37 N ATOM 0 H ASN A 25 5.349 -14.570 -2.071 1.00 0.25 H new ATOM 0 HA ASN A 25 5.479 -17.500 -1.973 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.298 -15.346 -3.071 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.869 -16.983 -2.814 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.505 -16.057 -6.020 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.882 -14.876 -4.761 1.00 0.37 H new ATOM 466 N ALA A 26 6.930 -15.313 -0.040 1.00 0.20 N ATOM 467 CA ALA A 26 7.666 -15.081 1.183 1.00 0.19 C ATOM 468 C ALA A 26 6.800 -15.324 2.387 1.00 0.19 C ATOM 469 O ALA A 26 5.584 -15.511 2.287 1.00 0.24 O ATOM 470 CB ALA A 26 8.182 -13.663 1.210 1.00 0.18 C ATOM 0 H ALA A 26 6.554 -14.466 -0.465 1.00 0.20 H new ATOM 0 HA ALA A 26 8.504 -15.777 1.213 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.735 -13.495 2.134 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.841 -13.499 0.357 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.343 -12.969 1.158 1.00 0.18 H new ATOM 476 N THR A 27 7.447 -15.324 3.518 1.00 0.21 N ATOM 477 CA THR A 27 6.784 -15.446 4.779 1.00 0.24 C ATOM 478 C THR A 27 6.456 -14.056 5.279 1.00 0.21 C ATOM 479 O THR A 27 6.771 -13.069 4.611 1.00 0.21 O ATOM 480 CB THR A 27 7.704 -16.155 5.782 1.00 0.30 C ATOM 481 OG1 THR A 27 8.778 -15.280 6.151 1.00 0.33 O ATOM 482 CG2 THR A 27 8.284 -17.409 5.158 1.00 0.35 C ATOM 0 H THR A 27 8.461 -15.238 3.588 1.00 0.21 H new ATOM 0 HA THR A 27 5.871 -16.031 4.669 1.00 0.24 H new ATOM 0 HB THR A 27 7.123 -16.423 6.664 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.364 -15.733 6.793 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.936 -17.905 5.877 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.475 -18.083 4.876 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.859 -17.142 4.272 1.00 0.35 H new ATOM 490 N SER A 28 5.857 -13.965 6.448 1.00 0.26 N ATOM 491 CA SER A 28 5.597 -12.675 7.056 1.00 0.32 C ATOM 492 C SER A 28 6.912 -11.960 7.346 1.00 0.31 C ATOM 493 O SER A 28 6.934 -10.780 7.663 1.00 0.41 O ATOM 494 CB SER A 28 4.750 -12.835 8.325 1.00 0.40 C ATOM 495 OG SER A 28 4.375 -11.577 8.864 1.00 1.54 O ATOM 0 H SER A 28 5.541 -14.766 6.996 1.00 0.26 H new ATOM 0 HA SER A 28 5.026 -12.062 6.359 1.00 0.32 H new ATOM 0 HB2 SER A 28 3.856 -13.415 8.096 1.00 0.40 H new ATOM 0 HB3 SER A 28 5.312 -13.398 9.070 1.00 0.40 H new ATOM 0 HG SER A 28 5.051 -10.907 8.632 1.00 1.54 H new ATOM 501 N ASP A 29 8.005 -12.694 7.242 1.00 0.27 N ATOM 502 CA ASP A 29 9.324 -12.135 7.477 1.00 0.34 C ATOM 503 C ASP A 29 9.894 -11.490 6.210 1.00 0.32 C ATOM 504 O ASP A 29 10.303 -10.330 6.245 1.00 0.44 O ATOM 505 CB ASP A 29 10.277 -13.212 7.994 1.00 0.38 C ATOM 506 CG ASP A 29 11.573 -12.633 8.529 1.00 0.97 C ATOM 507 OD1 ASP A 29 11.578 -12.145 9.683 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.598 -12.681 7.817 1.00 1.68 O ATOM 0 H ASP A 29 8.005 -13.684 6.995 1.00 0.27 H new ATOM 0 HA ASP A 29 9.223 -11.357 8.234 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.784 -13.781 8.783 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.501 -13.912 7.189 1.00 0.38 H new ATOM 513 N ASP A 30 9.893 -12.210 5.077 1.00 0.22 N ATOM 514 CA ASP A 30 10.585 -11.709 3.884 1.00 0.21 C ATOM 515 C ASP A 30 9.769 -10.637 3.173 1.00 0.16 C ATOM 516 O ASP A 30 10.330 -9.652 2.693 1.00 0.17 O ATOM 517 CB ASP A 30 10.942 -12.843 2.918 1.00 0.23 C ATOM 518 CG ASP A 30 11.876 -12.383 1.813 1.00 0.89 C ATOM 519 OD1 ASP A 30 12.910 -11.760 2.124 1.00 1.22 O ATOM 520 OD2 ASP A 30 11.572 -12.626 0.627 1.00 1.81 O ATOM 0 H ASP A 30 9.435 -13.114 4.964 1.00 0.22 H new ATOM 0 HA ASP A 30 11.515 -11.255 4.226 1.00 0.21 H new ATOM 0 HB2 ASP A 30 11.411 -13.656 3.472 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.029 -13.243 2.477 1.00 0.23 H new ATOM 525 N ILE A 31 8.450 -10.831 3.103 1.00 0.14 N ATOM 526 CA ILE A 31 7.544 -9.816 2.573 1.00 0.14 C ATOM 527 C ILE A 31 7.858 -8.437 3.161 1.00 0.14 C ATOM 528 O ILE A 31 7.903 -7.438 2.443 1.00 0.16 O ATOM 529 CB ILE A 31 6.067 -10.155 2.886 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.677 -11.532 2.340 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.144 -9.089 2.315 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.557 -11.594 0.837 1.00 0.42 C ATOM 0 H ILE A 31 7.986 -11.687 3.409 1.00 0.14 H new ATOM 0 HA ILE A 31 7.691 -9.800 1.493 1.00 0.14 H new ATOM 0 HB ILE A 31 5.959 -10.179 3.970 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.419 -12.262 2.664 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.725 -11.828 2.781 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.109 -9.343 2.544 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.387 -8.123 2.757 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.274 -9.036 1.234 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.278 -12.604 0.536 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.793 -10.892 0.504 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.513 -11.332 0.385 1.00 0.42 H new ATOM 544 N LYS A 32 8.092 -8.396 4.470 1.00 0.17 N ATOM 545 CA LYS A 32 8.367 -7.138 5.153 1.00 0.21 C ATOM 546 C LYS A 32 9.732 -6.600 4.752 1.00 0.20 C ATOM 547 O LYS A 32 9.878 -5.414 4.471 1.00 0.21 O ATOM 548 CB LYS A 32 8.309 -7.315 6.667 1.00 0.29 C ATOM 549 CG LYS A 32 7.048 -8.003 7.136 1.00 0.33 C ATOM 550 CD LYS A 32 5.796 -7.284 6.670 1.00 0.35 C ATOM 551 CE LYS A 32 4.620 -8.238 6.618 1.00 0.43 C ATOM 552 NZ LYS A 32 3.338 -7.536 6.355 1.00 0.88 N ATOM 0 H LYS A 32 8.096 -9.217 5.076 1.00 0.17 H new ATOM 0 HA LYS A 32 7.600 -6.423 4.855 1.00 0.21 H new ATOM 0 HB2 LYS A 32 9.174 -7.893 6.992 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.381 -6.338 7.144 1.00 0.29 H new ATOM 0 HG2 LYS A 32 7.036 -9.028 6.765 1.00 0.33 H new ATOM 0 HG3 LYS A 32 7.049 -8.058 8.225 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.572 -6.459 7.346 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.964 -6.852 5.684 1.00 0.35 H new ATOM 0 HE2 LYS A 32 4.792 -8.981 5.839 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.550 -8.777 7.563 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.623 -8.224 6.045 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 3.014 -7.068 7.225 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.479 -6.824 5.611 1.00 0.88 H new ATOM 566 N LYS A 33 10.725 -7.489 4.727 1.00 0.21 N ATOM 567 CA LYS A 33 12.088 -7.139 4.318 1.00 0.22 C ATOM 568 C LYS A 33 12.081 -6.432 2.981 1.00 0.19 C ATOM 569 O LYS A 33 12.722 -5.394 2.809 1.00 0.19 O ATOM 570 CB LYS A 33 12.930 -8.399 4.165 1.00 0.28 C ATOM 571 CG LYS A 33 13.045 -9.234 5.421 1.00 0.35 C ATOM 572 CD LYS A 33 13.903 -8.550 6.466 1.00 0.49 C ATOM 573 CE LYS A 33 14.103 -9.433 7.683 1.00 0.62 C ATOM 574 NZ LYS A 33 15.053 -8.827 8.650 1.00 1.41 N ATOM 0 H LYS A 33 10.610 -8.468 4.988 1.00 0.21 H new ATOM 0 HA LYS A 33 12.504 -6.487 5.086 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.501 -9.013 3.374 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.931 -8.115 3.840 1.00 0.28 H new ATOM 0 HG2 LYS A 33 12.051 -9.419 5.829 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.474 -10.205 5.175 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.872 -8.297 6.035 1.00 0.49 H new ATOM 0 HD3 LYS A 33 13.434 -7.613 6.767 1.00 0.49 H new ATOM 0 HE2 LYS A 33 13.144 -9.602 8.172 1.00 0.62 H new ATOM 0 HE3 LYS A 33 14.476 -10.408 7.368 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 15.165 -9.458 9.469 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 15.976 -8.689 8.190 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.685 -7.908 8.969 1.00 1.41 H new ATOM 588 N SER A 34 11.360 -7.023 2.040 1.00 0.18 N ATOM 589 CA SER A 34 11.260 -6.489 0.695 1.00 0.18 C ATOM 590 C SER A 34 10.795 -5.040 0.739 1.00 0.19 C ATOM 591 O SER A 34 11.343 -4.189 0.047 1.00 0.30 O ATOM 592 CB SER A 34 10.300 -7.339 -0.141 1.00 0.21 C ATOM 593 OG SER A 34 10.449 -7.072 -1.525 1.00 0.26 O ATOM 0 H SER A 34 10.831 -7.882 2.189 1.00 0.18 H new ATOM 0 HA SER A 34 12.244 -6.521 0.228 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.486 -8.396 0.050 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.273 -7.136 0.162 1.00 0.21 H new ATOM 0 HG SER A 34 10.860 -7.845 -1.965 1.00 0.26 H new ATOM 599 N TYR A 35 9.823 -4.764 1.598 1.00 0.17 N ATOM 600 CA TYR A 35 9.288 -3.413 1.752 1.00 0.18 C ATOM 601 C TYR A 35 10.315 -2.511 2.415 1.00 0.18 C ATOM 602 O TYR A 35 10.525 -1.374 2.006 1.00 0.26 O ATOM 603 CB TYR A 35 8.003 -3.440 2.589 1.00 0.22 C ATOM 604 CG TYR A 35 7.824 -2.225 3.487 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.453 -0.991 2.966 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.031 -2.317 4.858 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.293 0.111 3.782 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.871 -1.218 5.681 1.00 0.38 C ATOM 609 CZ TYR A 35 7.503 -0.007 5.137 1.00 0.42 C ATOM 610 OH TYR A 35 7.343 1.090 5.955 1.00 0.51 O ATOM 0 H TYR A 35 9.386 -5.460 2.202 1.00 0.17 H new ATOM 0 HA TYR A 35 9.057 -3.020 0.762 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.146 -3.513 1.919 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.002 -4.338 3.206 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.287 -0.892 1.903 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.322 -3.264 5.288 1.00 0.29 H new ATOM 0 HE1 TYR A 35 7.004 1.062 3.359 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.034 -1.308 6.745 1.00 0.38 H new ATOM 0 HH TYR A 35 7.528 0.836 6.883 1.00 0.51 H new ATOM 620 N ARG A 36 10.948 -3.047 3.437 1.00 0.16 N ATOM 621 CA ARG A 36 11.871 -2.292 4.265 1.00 0.19 C ATOM 622 C ARG A 36 13.042 -1.796 3.452 1.00 0.21 C ATOM 623 O ARG A 36 13.333 -0.608 3.443 1.00 0.23 O ATOM 624 CB ARG A 36 12.371 -3.141 5.417 1.00 0.25 C ATOM 625 CG ARG A 36 11.273 -3.511 6.385 1.00 0.29 C ATOM 626 CD ARG A 36 11.820 -4.251 7.583 1.00 0.42 C ATOM 627 NE ARG A 36 10.755 -4.868 8.374 1.00 0.83 N ATOM 628 CZ ARG A 36 10.929 -5.930 9.162 1.00 1.30 C ATOM 629 NH1 ARG A 36 12.132 -6.476 9.304 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.898 -6.450 9.810 1.00 1.74 N ATOM 0 H ARG A 36 10.838 -4.021 3.720 1.00 0.16 H new ATOM 0 HA ARG A 36 11.333 -1.432 4.664 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.825 -4.050 5.023 1.00 0.25 H new ATOM 0 HB3 ARG A 36 13.153 -2.600 5.950 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.759 -2.609 6.716 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.534 -4.131 5.879 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.516 -5.020 7.248 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.385 -3.561 8.210 1.00 0.42 H new ATOM 0 HE ARG A 36 9.821 -4.461 8.319 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.932 -6.083 8.808 1.00 1.53 H new ATOM 0 HH12 ARG A 36 12.255 -7.288 9.909 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.970 -6.038 9.707 1.00 1.74 H new ATOM 0 HH22 ARG A 36 10.031 -7.262 10.413 1.00 1.74 H new ATOM 644 N LYS A 37 13.681 -2.708 2.735 1.00 0.35 N ATOM 645 CA LYS A 37 14.846 -2.367 1.929 1.00 0.45 C ATOM 646 C LYS A 37 14.492 -1.329 0.869 1.00 0.40 C ATOM 647 O LYS A 37 15.371 -0.737 0.260 1.00 0.43 O ATOM 648 CB LYS A 37 15.431 -3.614 1.264 1.00 0.67 C ATOM 649 CG LYS A 37 14.490 -4.282 0.274 1.00 0.78 C ATOM 650 CD LYS A 37 15.116 -5.521 -0.344 1.00 1.04 C ATOM 651 CE LYS A 37 15.450 -6.561 0.713 1.00 0.85 C ATOM 652 NZ LYS A 37 16.138 -7.744 0.133 1.00 1.37 N ATOM 0 H LYS A 37 13.413 -3.691 2.694 1.00 0.35 H new ATOM 0 HA LYS A 37 15.596 -1.941 2.595 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.352 -3.341 0.748 1.00 0.67 H new ATOM 0 HB3 LYS A 37 15.700 -4.334 2.037 1.00 0.67 H new ATOM 0 HG2 LYS A 37 13.564 -4.555 0.779 1.00 0.78 H new ATOM 0 HG3 LYS A 37 14.227 -3.575 -0.513 1.00 0.78 H new ATOM 0 HD2 LYS A 37 14.431 -5.950 -1.075 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.022 -5.243 -0.882 1.00 1.04 H new ATOM 0 HE2 LYS A 37 16.085 -6.111 1.477 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.534 -6.882 1.208 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 16.348 -8.428 0.888 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 15.523 -8.190 -0.577 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 17.026 -7.443 -0.318 1.00 1.37 H new ATOM 666 N LEU A 38 13.200 -1.145 0.634 1.00 0.45 N ATOM 667 CA LEU A 38 12.712 -0.098 -0.246 1.00 0.61 C ATOM 668 C LEU A 38 12.449 1.164 0.534 1.00 0.60 C ATOM 669 O LEU A 38 12.731 2.256 0.077 1.00 0.76 O ATOM 670 CB LEU A 38 11.399 -0.504 -0.859 1.00 1.00 C ATOM 671 CG LEU A 38 11.438 -1.678 -1.789 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.066 -2.304 -1.780 1.00 0.57 C ATOM 673 CD2 LEU A 38 11.845 -1.220 -3.179 1.00 0.44 C ATOM 0 H LEU A 38 12.464 -1.717 1.048 1.00 0.45 H new ATOM 0 HA LEU A 38 13.471 0.066 -1.011 1.00 0.61 H new ATOM 0 HB2 LEU A 38 10.700 -0.728 -0.054 1.00 1.00 H new ATOM 0 HB3 LEU A 38 10.996 0.350 -1.403 1.00 1.00 H new ATOM 0 HG LEU A 38 12.174 -2.416 -1.471 1.00 0.27 H new ATOM 0 HD11 LEU A 38 10.055 -3.165 -2.448 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.820 -2.626 -0.768 1.00 0.57 H new ATOM 0 HD13 LEU A 38 9.331 -1.574 -2.117 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.872 -2.078 -3.851 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.123 -0.492 -3.548 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.833 -0.761 -3.136 1.00 0.44 H new ATOM 685 N ALA A 39 11.858 0.989 1.699 1.00 0.49 N ATOM 686 CA ALA A 39 11.409 2.091 2.522 1.00 0.59 C ATOM 687 C ALA A 39 12.528 3.081 2.790 1.00 0.57 C ATOM 688 O ALA A 39 12.397 4.267 2.485 1.00 0.72 O ATOM 689 CB ALA A 39 10.842 1.552 3.812 1.00 0.59 C ATOM 0 H ALA A 39 11.675 0.070 2.103 1.00 0.49 H new ATOM 0 HA ALA A 39 10.630 2.632 1.985 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.503 2.380 4.434 1.00 0.59 H new ATOM 0 HB2 ALA A 39 10.001 0.894 3.593 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.612 0.992 4.342 1.00 0.59 H new ATOM 695 N LEU A 40 13.640 2.607 3.332 1.00 0.44 N ATOM 696 CA LEU A 40 14.774 3.495 3.536 1.00 0.51 C ATOM 697 C LEU A 40 15.507 3.755 2.225 1.00 0.46 C ATOM 698 O LEU A 40 16.398 4.595 2.159 1.00 0.58 O ATOM 699 CB LEU A 40 15.745 3.026 4.655 1.00 0.56 C ATOM 700 CG LEU A 40 16.220 1.554 4.676 1.00 0.51 C ATOM 701 CD1 LEU A 40 15.147 0.633 5.232 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.675 1.080 3.304 1.00 0.44 C ATOM 0 H LEU A 40 13.781 1.642 3.631 1.00 0.44 H new ATOM 0 HA LEU A 40 14.359 4.438 3.892 1.00 0.51 H new ATOM 0 HB2 LEU A 40 16.633 3.656 4.604 1.00 0.56 H new ATOM 0 HB3 LEU A 40 15.265 3.229 5.612 1.00 0.56 H new ATOM 0 HG LEU A 40 17.083 1.513 5.340 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.513 -0.394 5.233 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.903 0.932 6.251 1.00 0.48 H new ATOM 0 HD13 LEU A 40 14.253 0.699 4.611 1.00 0.48 H new ATOM 0 HD21 LEU A 40 17.000 0.041 3.367 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.848 1.159 2.599 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.504 1.699 2.962 1.00 0.44 H new ATOM 714 N LYS A 41 15.115 3.049 1.175 1.00 0.37 N ATOM 715 CA LYS A 41 15.772 3.196 -0.115 1.00 0.40 C ATOM 716 C LYS A 41 15.093 4.284 -0.947 1.00 0.39 C ATOM 717 O LYS A 41 15.750 5.006 -1.699 1.00 0.48 O ATOM 718 CB LYS A 41 15.772 1.841 -0.831 1.00 0.51 C ATOM 719 CG LYS A 41 16.156 1.867 -2.298 1.00 0.62 C ATOM 720 CD LYS A 41 14.925 1.759 -3.179 1.00 0.65 C ATOM 721 CE LYS A 41 15.276 1.516 -4.634 1.00 0.72 C ATOM 722 NZ LYS A 41 16.264 2.502 -5.154 1.00 1.41 N ATOM 0 H LYS A 41 14.351 2.373 1.190 1.00 0.37 H new ATOM 0 HA LYS A 41 16.805 3.512 0.029 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.458 1.175 -0.308 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.777 1.406 -0.744 1.00 0.51 H new ATOM 0 HG2 LYS A 41 16.690 2.791 -2.523 1.00 0.62 H new ATOM 0 HG3 LYS A 41 16.837 1.044 -2.515 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.294 0.946 -2.819 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.341 2.676 -3.097 1.00 0.65 H new ATOM 0 HE2 LYS A 41 15.680 0.509 -4.744 1.00 0.72 H new ATOM 0 HE3 LYS A 41 14.369 1.563 -5.236 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 16.344 2.402 -6.186 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 15.948 3.465 -4.923 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.191 2.328 -4.717 1.00 1.41 H new ATOM 736 N TYR A 42 13.785 4.419 -0.773 1.00 0.36 N ATOM 737 CA TYR A 42 12.999 5.405 -1.512 1.00 0.36 C ATOM 738 C TYR A 42 12.743 6.639 -0.668 1.00 0.40 C ATOM 739 O TYR A 42 12.084 7.575 -1.110 1.00 0.40 O ATOM 740 CB TYR A 42 11.661 4.815 -1.947 1.00 0.33 C ATOM 741 CG TYR A 42 11.720 4.036 -3.238 1.00 0.36 C ATOM 742 CD1 TYR A 42 11.660 4.675 -4.466 1.00 0.38 C ATOM 743 CD2 TYR A 42 11.852 2.658 -3.222 1.00 0.38 C ATOM 744 CE1 TYR A 42 11.734 3.959 -5.645 1.00 0.44 C ATOM 745 CE2 TYR A 42 11.924 1.933 -4.395 1.00 0.43 C ATOM 746 CZ TYR A 42 11.789 2.613 -5.623 1.00 0.45 C ATOM 747 OH TYR A 42 11.955 1.880 -6.781 1.00 0.52 O ATOM 0 H TYR A 42 13.240 3.854 -0.122 1.00 0.36 H new ATOM 0 HA TYR A 42 13.575 5.686 -2.393 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.291 4.161 -1.157 1.00 0.33 H new ATOM 0 HB3 TYR A 42 10.938 5.624 -2.056 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.554 5.749 -4.502 1.00 0.38 H new ATOM 0 HD2 TYR A 42 11.900 2.141 -2.275 1.00 0.38 H new ATOM 0 HE1 TYR A 42 11.748 4.481 -6.590 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.081 0.865 -4.372 1.00 0.43 H new ATOM 0 HH TYR A 42 11.972 0.925 -6.564 1.00 0.52 H new ATOM 757 N HIS A 43 13.261 6.627 0.549 1.00 0.46 N ATOM 758 CA HIS A 43 13.043 7.713 1.491 1.00 0.53 C ATOM 759 C HIS A 43 13.577 9.033 0.938 1.00 0.56 C ATOM 760 O HIS A 43 14.778 9.172 0.730 1.00 0.62 O ATOM 761 CB HIS A 43 13.736 7.393 2.818 1.00 0.62 C ATOM 762 CG HIS A 43 12.890 7.685 4.017 1.00 0.71 C ATOM 763 ND1 HIS A 43 13.408 7.991 5.255 1.00 1.17 N ATOM 764 CD2 HIS A 43 11.546 7.698 4.162 1.00 0.87 C ATOM 765 CE1 HIS A 43 12.420 8.176 6.108 1.00 1.12 C ATOM 766 NE2 HIS A 43 11.279 8.004 5.472 1.00 0.87 N ATOM 0 H HIS A 43 13.841 5.870 0.910 1.00 0.46 H new ATOM 0 HA HIS A 43 11.970 7.816 1.652 1.00 0.53 H new ATOM 0 HB2 HIS A 43 14.016 6.340 2.828 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.659 7.969 2.885 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.817 7.503 3.389 1.00 0.87 H new ATOM 0 HE1 HIS A 43 12.528 8.427 7.153 1.00 1.12 H new ATOM 0 HE2 HIS A 43 10.350 8.085 5.886 1.00 0.87 H new ATOM 775 N PRO A 44 12.691 10.014 0.680 1.00 0.54 N ATOM 776 CA PRO A 44 13.083 11.365 0.240 1.00 0.58 C ATOM 777 C PRO A 44 14.102 12.004 1.177 1.00 0.68 C ATOM 778 O PRO A 44 14.891 12.853 0.768 1.00 0.72 O ATOM 779 CB PRO A 44 11.773 12.160 0.270 1.00 0.58 C ATOM 780 CG PRO A 44 10.798 11.296 1.004 1.00 0.57 C ATOM 781 CD PRO A 44 11.232 9.884 0.762 1.00 0.51 C ATOM 0 HA PRO A 44 13.559 11.343 -0.741 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.906 13.117 0.774 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.423 12.377 -0.739 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.798 11.527 2.069 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.783 11.459 0.642 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.928 9.221 1.572 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.808 9.480 -0.157 1.00 0.51 H new ATOM 789 N ASP A 45 14.075 11.582 2.435 1.00 0.74 N ATOM 790 CA ASP A 45 15.061 12.003 3.426 1.00 0.85 C ATOM 791 C ASP A 45 16.474 11.644 2.965 1.00 0.89 C ATOM 792 O ASP A 45 17.446 12.312 3.314 1.00 0.96 O ATOM 793 CB ASP A 45 14.756 11.327 4.762 1.00 0.92 C ATOM 794 CG ASP A 45 15.678 11.768 5.881 1.00 1.06 C ATOM 795 OD1 ASP A 45 15.415 12.819 6.500 1.00 1.11 O ATOM 796 OD2 ASP A 45 16.664 11.053 6.162 1.00 1.16 O ATOM 0 H ASP A 45 13.371 10.939 2.798 1.00 0.74 H new ATOM 0 HA ASP A 45 15.006 13.085 3.545 1.00 0.85 H new ATOM 0 HB2 ASP A 45 13.725 11.543 5.044 1.00 0.92 H new ATOM 0 HB3 ASP A 45 14.834 10.247 4.641 1.00 0.92 H new ATOM 801 N LYS A 46 16.569 10.586 2.168 1.00 0.87 N ATOM 802 CA LYS A 46 17.841 10.143 1.616 1.00 0.94 C ATOM 803 C LYS A 46 17.927 10.502 0.141 1.00 0.90 C ATOM 804 O LYS A 46 18.983 10.397 -0.482 1.00 0.99 O ATOM 805 CB LYS A 46 17.998 8.629 1.765 1.00 1.00 C ATOM 806 CG LYS A 46 17.713 8.117 3.158 1.00 1.04 C ATOM 807 CD LYS A 46 18.170 6.680 3.318 1.00 1.13 C ATOM 808 CE LYS A 46 18.111 6.225 4.766 1.00 1.57 C ATOM 809 NZ LYS A 46 19.065 6.981 5.621 1.00 2.08 N ATOM 0 H LYS A 46 15.771 10.015 1.888 1.00 0.87 H new ATOM 0 HA LYS A 46 18.638 10.644 2.166 1.00 0.94 H new ATOM 0 HB2 LYS A 46 17.328 8.133 1.062 1.00 1.00 H new ATOM 0 HB3 LYS A 46 19.014 8.350 1.487 1.00 1.00 H new ATOM 0 HG2 LYS A 46 18.219 8.746 3.890 1.00 1.04 H new ATOM 0 HG3 LYS A 46 16.645 8.187 3.362 1.00 1.04 H new ATOM 0 HD2 LYS A 46 17.544 6.030 2.707 1.00 1.13 H new ATOM 0 HD3 LYS A 46 19.190 6.580 2.947 1.00 1.13 H new ATOM 0 HE2 LYS A 46 17.098 6.356 5.147 1.00 1.57 H new ATOM 0 HE3 LYS A 46 18.337 5.160 4.822 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 19.224 6.461 6.507 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 19.968 7.093 5.118 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 18.670 7.919 5.836 1.00 2.08 H new ATOM 823 N ASN A 47 16.805 10.918 -0.418 1.00 0.79 N ATOM 824 CA ASN A 47 16.730 11.229 -1.834 1.00 0.77 C ATOM 825 C ASN A 47 16.019 12.558 -2.043 1.00 0.74 C ATOM 826 O ASN A 47 14.843 12.598 -2.409 1.00 0.66 O ATOM 827 CB ASN A 47 16.003 10.124 -2.605 1.00 0.69 C ATOM 828 CG ASN A 47 16.598 8.748 -2.374 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.477 8.304 -3.114 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.129 8.064 -1.342 1.00 0.71 N ATOM 0 H ASN A 47 15.930 11.049 0.089 1.00 0.79 H new ATOM 0 HA ASN A 47 17.748 11.301 -2.216 1.00 0.77 H new ATOM 0 HB2 ASN A 47 14.954 10.114 -2.311 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.033 10.352 -3.670 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.496 7.135 -1.137 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.400 8.466 -0.752 1.00 0.71 H new ATOM 837 N PRO A 48 16.716 13.659 -1.755 1.00 0.82 N ATOM 838 CA PRO A 48 16.203 15.014 -1.970 1.00 0.84 C ATOM 839 C PRO A 48 16.030 15.316 -3.451 1.00 0.84 C ATOM 840 O PRO A 48 16.625 14.641 -4.294 1.00 0.86 O ATOM 841 CB PRO A 48 17.293 15.906 -1.369 1.00 0.93 C ATOM 842 CG PRO A 48 18.528 15.078 -1.436 1.00 0.99 C ATOM 843 CD PRO A 48 18.070 13.672 -1.188 1.00 0.92 C ATOM 0 HA PRO A 48 15.221 15.163 -1.520 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.404 16.832 -1.933 1.00 0.93 H new ATOM 0 HB3 PRO A 48 17.057 16.185 -0.342 1.00 0.93 H new ATOM 0 HG2 PRO A 48 19.011 15.169 -2.409 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.255 15.393 -0.688 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.719 12.945 -1.676 1.00 0.92 H new ATOM 0 HD3 PRO A 48 18.064 13.431 -0.125 1.00 0.92 H new ATOM 851 N ASP A 49 15.188 16.304 -3.757 1.00 0.85 N ATOM 852 CA ASP A 49 14.920 16.721 -5.142 1.00 0.89 C ATOM 853 C ASP A 49 14.064 15.682 -5.856 1.00 0.82 C ATOM 854 O ASP A 49 13.707 15.842 -7.024 1.00 0.88 O ATOM 855 CB ASP A 49 16.232 16.947 -5.914 1.00 0.98 C ATOM 856 CG ASP A 49 16.027 17.528 -7.303 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.824 18.755 -7.420 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.052 16.757 -8.287 1.00 1.09 O ATOM 0 H ASP A 49 14.672 16.838 -3.058 1.00 0.85 H new ATOM 0 HA ASP A 49 14.375 17.664 -5.109 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.871 17.617 -5.339 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.761 15.998 -6.000 1.00 0.98 H new ATOM 863 N ASN A 50 13.702 14.629 -5.141 1.00 0.74 N ATOM 864 CA ASN A 50 12.982 13.527 -5.737 1.00 0.68 C ATOM 865 C ASN A 50 11.676 13.292 -4.987 1.00 0.64 C ATOM 866 O ASN A 50 11.579 12.394 -4.152 1.00 0.61 O ATOM 867 CB ASN A 50 13.854 12.274 -5.703 1.00 0.65 C ATOM 868 CG ASN A 50 13.652 11.383 -6.909 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.775 10.409 -6.791 1.00 0.83 O flip ATOM 870 ND2 ASN A 50 14.298 11.564 -7.939 1.00 0.74 N flip ATOM 0 H ASN A 50 13.898 14.519 -4.146 1.00 0.74 H new ATOM 0 HA ASN A 50 12.744 13.764 -6.774 1.00 0.68 H new ATOM 0 HB2 ASN A 50 14.902 12.568 -5.647 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.633 11.708 -4.798 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.969 12.330 -7.992 1.00 0.74 H new ATOM 0 HD22 ASN A 50 14.163 10.948 -8.741 1.00 0.74 H new ATOM 877 N PRO A 51 10.656 14.114 -5.267 1.00 0.67 N ATOM 878 CA PRO A 51 9.367 14.045 -4.579 1.00 0.68 C ATOM 879 C PRO A 51 8.600 12.791 -4.957 1.00 0.66 C ATOM 880 O PRO A 51 7.796 12.278 -4.182 1.00 0.67 O ATOM 881 CB PRO A 51 8.606 15.284 -5.059 1.00 0.78 C ATOM 882 CG PRO A 51 9.574 16.086 -5.859 1.00 0.79 C ATOM 883 CD PRO A 51 10.676 15.163 -6.287 1.00 0.73 C ATOM 0 HA PRO A 51 9.494 14.013 -3.497 1.00 0.68 H new ATOM 0 HB2 PRO A 51 7.744 15.001 -5.662 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.229 15.860 -4.214 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.083 16.526 -6.727 1.00 0.79 H new ATOM 0 HG3 PRO A 51 9.972 16.910 -5.266 1.00 0.79 H new ATOM 0 HD2 PRO A 51 10.497 14.758 -7.283 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.638 15.674 -6.319 1.00 0.73 H new ATOM 891 N GLU A 52 8.863 12.299 -6.158 1.00 0.66 N ATOM 892 CA GLU A 52 8.232 11.088 -6.643 1.00 0.67 C ATOM 893 C GLU A 52 8.670 9.890 -5.817 1.00 0.57 C ATOM 894 O GLU A 52 7.962 8.888 -5.741 1.00 0.56 O ATOM 895 CB GLU A 52 8.559 10.886 -8.102 1.00 0.72 C ATOM 896 CG GLU A 52 9.965 10.455 -8.292 1.00 0.95 C ATOM 897 CD GLU A 52 10.261 9.996 -9.704 1.00 1.28 C ATOM 898 OE1 GLU A 52 9.955 8.829 -10.024 1.00 1.53 O ATOM 899 OE2 GLU A 52 10.813 10.790 -10.492 1.00 1.66 O ATOM 0 H GLU A 52 9.515 12.726 -6.817 1.00 0.66 H new ATOM 0 HA GLU A 52 7.151 11.187 -6.541 1.00 0.67 H new ATOM 0 HB2 GLU A 52 7.888 10.138 -8.526 1.00 0.72 H new ATOM 0 HB3 GLU A 52 8.386 11.814 -8.646 1.00 0.72 H new ATOM 0 HG2 GLU A 52 10.629 11.281 -8.038 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.187 9.644 -7.599 1.00 0.95 H new ATOM 906 N ALA A 53 9.830 10.010 -5.178 1.00 0.53 N ATOM 907 CA ALA A 53 10.312 8.971 -4.271 1.00 0.46 C ATOM 908 C ALA A 53 9.344 8.789 -3.108 1.00 0.42 C ATOM 909 O ALA A 53 9.224 7.699 -2.567 1.00 0.37 O ATOM 910 CB ALA A 53 11.705 9.291 -3.751 1.00 0.47 C ATOM 0 H ALA A 53 10.452 10.813 -5.270 1.00 0.53 H new ATOM 0 HA ALA A 53 10.369 8.039 -4.834 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.034 8.498 -3.079 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.398 9.367 -4.589 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.683 10.238 -3.212 1.00 0.47 H new ATOM 916 N ALA A 54 8.645 9.861 -2.735 1.00 0.45 N ATOM 917 CA ALA A 54 7.610 9.784 -1.708 1.00 0.44 C ATOM 918 C ALA A 54 6.478 8.884 -2.171 1.00 0.43 C ATOM 919 O ALA A 54 6.000 8.029 -1.431 1.00 0.41 O ATOM 920 CB ALA A 54 7.058 11.164 -1.401 1.00 0.51 C ATOM 0 H ALA A 54 8.778 10.792 -3.130 1.00 0.45 H new ATOM 0 HA ALA A 54 8.059 9.370 -0.805 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.288 11.085 -0.633 1.00 0.51 H new ATOM 0 HB2 ALA A 54 7.863 11.806 -1.043 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.626 11.593 -2.305 1.00 0.51 H new ATOM 926 N ASP A 55 6.062 9.094 -3.412 1.00 0.46 N ATOM 927 CA ASP A 55 5.007 8.303 -4.028 1.00 0.47 C ATOM 928 C ASP A 55 5.444 6.852 -4.154 1.00 0.39 C ATOM 929 O ASP A 55 4.669 5.929 -3.911 1.00 0.36 O ATOM 930 CB ASP A 55 4.673 8.888 -5.399 1.00 0.57 C ATOM 931 CG ASP A 55 3.563 8.142 -6.113 1.00 0.63 C ATOM 932 OD1 ASP A 55 2.375 8.430 -5.847 1.00 0.72 O ATOM 933 OD2 ASP A 55 3.877 7.276 -6.958 1.00 0.66 O ATOM 0 H ASP A 55 6.446 9.817 -4.020 1.00 0.46 H new ATOM 0 HA ASP A 55 4.115 8.334 -3.402 1.00 0.47 H new ATOM 0 HB2 ASP A 55 4.382 9.932 -5.280 1.00 0.57 H new ATOM 0 HB3 ASP A 55 5.569 8.875 -6.020 1.00 0.57 H new ATOM 938 N LYS A 56 6.702 6.663 -4.518 1.00 0.39 N ATOM 939 CA LYS A 56 7.303 5.341 -4.562 1.00 0.34 C ATOM 940 C LYS A 56 7.335 4.724 -3.171 1.00 0.28 C ATOM 941 O LYS A 56 6.989 3.562 -2.978 1.00 0.26 O ATOM 942 CB LYS A 56 8.720 5.444 -5.084 1.00 0.38 C ATOM 943 CG LYS A 56 8.846 6.095 -6.443 1.00 0.48 C ATOM 944 CD LYS A 56 8.309 5.204 -7.542 1.00 0.64 C ATOM 945 CE LYS A 56 6.911 5.624 -7.962 1.00 0.83 C ATOM 946 NZ LYS A 56 6.292 4.651 -8.896 1.00 0.98 N ATOM 0 H LYS A 56 7.332 7.418 -4.790 1.00 0.39 H new ATOM 0 HA LYS A 56 6.705 4.711 -5.221 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.316 6.010 -4.368 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.148 4.443 -5.135 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.305 7.041 -6.445 1.00 0.48 H new ATOM 0 HG3 LYS A 56 9.893 6.326 -6.640 1.00 0.48 H new ATOM 0 HD2 LYS A 56 8.976 5.243 -8.403 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.292 4.170 -7.198 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.283 5.726 -7.077 1.00 0.83 H new ATOM 0 HE3 LYS A 56 6.955 6.604 -8.437 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 5.901 5.157 -9.716 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.012 3.973 -9.219 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 5.529 4.140 -8.409 1.00 0.98 H new ATOM 960 N PHE A 57 7.754 5.529 -2.208 1.00 0.27 N ATOM 961 CA PHE A 57 7.823 5.114 -0.813 1.00 0.24 C ATOM 962 C PHE A 57 6.434 4.768 -0.297 1.00 0.24 C ATOM 963 O PHE A 57 6.280 4.053 0.682 1.00 0.26 O ATOM 964 CB PHE A 57 8.455 6.224 0.041 1.00 0.27 C ATOM 965 CG PHE A 57 8.462 5.942 1.517 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.303 4.976 2.046 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.634 6.643 2.376 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.319 4.718 3.404 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.644 6.387 3.734 1.00 0.34 C ATOM 970 CZ PHE A 57 8.459 5.413 4.246 1.00 0.37 C ATOM 0 H PHE A 57 8.056 6.490 -2.370 1.00 0.27 H new ATOM 0 HA PHE A 57 8.449 4.225 -0.742 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.481 6.382 -0.291 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.915 7.154 -0.137 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.954 4.418 1.389 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.972 7.399 1.980 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.996 3.980 3.808 1.00 0.36 H new ATOM 0 HE2 PHE A 57 7.007 6.957 4.394 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.434 5.185 5.301 1.00 0.37 H new ATOM 980 N LYS A 58 5.433 5.264 -0.991 1.00 0.26 N ATOM 981 CA LYS A 58 4.057 5.069 -0.615 1.00 0.28 C ATOM 982 C LYS A 58 3.498 3.760 -1.190 1.00 0.26 C ATOM 983 O LYS A 58 2.730 3.069 -0.522 1.00 0.29 O ATOM 984 CB LYS A 58 3.275 6.298 -1.072 1.00 0.32 C ATOM 985 CG LYS A 58 1.819 6.054 -1.403 1.00 0.36 C ATOM 986 CD LYS A 58 1.063 7.366 -1.546 1.00 0.52 C ATOM 987 CE LYS A 58 1.704 8.281 -2.580 1.00 0.79 C ATOM 988 NZ LYS A 58 1.014 9.596 -2.658 1.00 1.41 N ATOM 0 H LYS A 58 5.556 5.818 -1.839 1.00 0.26 H new ATOM 0 HA LYS A 58 3.965 4.968 0.466 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.330 7.055 -0.289 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.766 6.713 -1.952 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.744 5.485 -2.329 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.361 5.450 -0.620 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.031 7.161 -1.832 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.031 7.874 -0.582 1.00 0.52 H new ATOM 0 HE2 LYS A 58 2.753 8.436 -2.328 1.00 0.79 H new ATOM 0 HE3 LYS A 58 1.679 7.799 -3.557 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 1.303 10.089 -3.527 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 -0.015 9.448 -2.670 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.271 10.173 -1.832 1.00 1.41 H new ATOM 1002 N GLU A 59 3.900 3.402 -2.412 1.00 0.25 N ATOM 1003 CA GLU A 59 3.473 2.130 -3.002 1.00 0.24 C ATOM 1004 C GLU A 59 4.197 0.964 -2.346 1.00 0.23 C ATOM 1005 O GLU A 59 3.618 -0.102 -2.133 1.00 0.25 O ATOM 1006 CB GLU A 59 3.688 2.102 -4.521 1.00 0.28 C ATOM 1007 CG GLU A 59 5.089 2.470 -4.970 1.00 0.32 C ATOM 1008 CD GLU A 59 5.253 2.401 -6.473 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.802 3.337 -7.162 1.00 0.54 O ATOM 1010 OE2 GLU A 59 5.837 1.419 -6.976 1.00 0.51 O ATOM 0 H GLU A 59 4.511 3.964 -3.005 1.00 0.25 H new ATOM 0 HA GLU A 59 2.403 2.032 -2.818 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.454 1.103 -4.889 1.00 0.28 H new ATOM 0 HB3 GLU A 59 2.980 2.787 -4.987 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.324 3.478 -4.628 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.806 1.798 -4.498 1.00 0.32 H new ATOM 1017 N ILE A 60 5.460 1.170 -2.011 1.00 0.23 N ATOM 1018 CA ILE A 60 6.237 0.147 -1.331 1.00 0.24 C ATOM 1019 C ILE A 60 5.742 0.003 0.098 1.00 0.24 C ATOM 1020 O ILE A 60 5.690 -1.096 0.646 1.00 0.27 O ATOM 1021 CB ILE A 60 7.741 0.478 -1.350 1.00 0.26 C ATOM 1022 CG1 ILE A 60 8.013 1.766 -0.579 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.216 0.607 -2.785 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.455 2.204 -0.595 1.00 0.28 C ATOM 0 H ILE A 60 5.968 2.034 -2.198 1.00 0.23 H new ATOM 0 HA ILE A 60 6.104 -0.797 -1.859 1.00 0.24 H new ATOM 0 HB ILE A 60 8.290 -0.330 -0.866 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.398 2.563 -0.997 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.698 1.630 0.456 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.280 0.841 -2.796 1.00 0.29 H new ATOM 0 HG22 ILE A 60 8.046 -0.333 -3.311 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.664 1.405 -3.281 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.561 3.127 -0.024 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.076 1.428 -0.148 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.772 2.375 -1.624 1.00 0.28 H new ATOM 1036 N ASN A 61 5.338 1.133 0.669 1.00 0.24 N ATOM 1037 CA ASN A 61 4.743 1.175 1.994 1.00 0.28 C ATOM 1038 C ASN A 61 3.427 0.402 1.992 1.00 0.29 C ATOM 1039 O ASN A 61 2.961 -0.071 3.025 1.00 0.36 O ATOM 1040 CB ASN A 61 4.496 2.634 2.390 1.00 0.36 C ATOM 1041 CG ASN A 61 3.866 2.804 3.756 1.00 0.51 C ATOM 1042 OD1 ASN A 61 2.543 2.899 3.792 1.00 0.62 O flip ATOM 1043 ND2 ASN A 61 4.565 2.874 4.768 1.00 0.60 N flip ATOM 0 H ASN A 61 5.416 2.047 0.222 1.00 0.24 H new ATOM 0 HA ASN A 61 5.419 0.716 2.715 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.445 3.171 2.370 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.851 3.098 1.644 1.00 0.36 H new ATOM 0 HD21 ASN A 61 5.579 2.796 4.694 1.00 0.60 H new ATOM 0 HD22 ASN A 61 4.129 3.010 5.680 1.00 0.60 H new ATOM 1050 N ASN A 62 2.853 0.281 0.801 1.00 0.25 N ATOM 1051 CA ASN A 62 1.564 -0.365 0.606 1.00 0.27 C ATOM 1052 C ASN A 62 1.708 -1.878 0.525 1.00 0.22 C ATOM 1053 O ASN A 62 1.116 -2.602 1.313 1.00 0.20 O ATOM 1054 CB ASN A 62 0.936 0.128 -0.689 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.513 -0.252 -0.804 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.389 0.516 -0.441 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.774 -1.446 -1.307 1.00 0.21 N ATOM 0 H ASN A 62 3.272 0.631 -0.060 1.00 0.25 H new ATOM 0 HA ASN A 62 0.935 -0.114 1.460 1.00 0.27 H new ATOM 0 HB2 ASN A 62 1.030 1.212 -0.745 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.485 -0.284 -1.536 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.740 -1.758 -1.405 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.009 -2.055 -1.598 1.00 0.21 H new ATOM 1064 N ALA A 63 2.500 -2.351 -0.440 1.00 0.20 N ATOM 1065 CA ALA A 63 2.630 -3.788 -0.703 1.00 0.18 C ATOM 1066 C ALA A 63 3.162 -4.546 0.519 1.00 0.14 C ATOM 1067 O ALA A 63 3.071 -5.771 0.595 1.00 0.14 O ATOM 1068 CB ALA A 63 3.542 -4.012 -1.897 1.00 0.19 C ATOM 0 H ALA A 63 3.062 -1.760 -1.053 1.00 0.20 H new ATOM 0 HA ALA A 63 1.637 -4.179 -0.923 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.635 -5.081 -2.088 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.120 -3.522 -2.774 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.526 -3.594 -1.686 1.00 0.19 H new ATOM 1074 N HIS A 64 3.704 -3.783 1.464 1.00 0.13 N ATOM 1075 CA HIS A 64 4.299 -4.297 2.698 1.00 0.11 C ATOM 1076 C HIS A 64 3.463 -5.402 3.369 1.00 0.13 C ATOM 1077 O HIS A 64 3.994 -6.454 3.727 1.00 0.20 O ATOM 1078 CB HIS A 64 4.520 -3.105 3.649 1.00 0.15 C ATOM 1079 CG HIS A 64 4.473 -3.418 5.117 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.383 -3.126 5.898 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.384 -3.976 5.947 1.00 1.02 C ATOM 1082 CE1 HIS A 64 3.619 -3.485 7.138 1.00 1.00 C ATOM 1083 NE2 HIS A 64 4.827 -4.005 7.202 1.00 0.96 N ATOM 0 H HIS A 64 3.744 -2.766 1.393 1.00 0.13 H new ATOM 0 HA HIS A 64 5.247 -4.776 2.451 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.489 -2.660 3.423 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.765 -2.349 3.434 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.520 -2.695 5.565 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.366 -4.332 5.674 1.00 1.02 H new ATOM 0 HE1 HIS A 64 2.936 -3.373 7.967 1.00 1.00 H new ATOM 1092 N ALA A 65 2.184 -5.153 3.591 1.00 0.14 N ATOM 1093 CA ALA A 65 1.339 -6.125 4.272 1.00 0.17 C ATOM 1094 C ALA A 65 0.632 -7.060 3.300 1.00 0.13 C ATOM 1095 O ALA A 65 0.579 -8.266 3.524 1.00 0.14 O ATOM 1096 CB ALA A 65 0.321 -5.420 5.154 1.00 0.25 C ATOM 0 H ALA A 65 1.709 -4.294 3.313 1.00 0.14 H new ATOM 0 HA ALA A 65 1.994 -6.736 4.893 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.302 -6.161 5.655 1.00 0.25 H new ATOM 0 HB2 ALA A 65 0.840 -4.819 5.900 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.307 -4.774 4.540 1.00 0.25 H new ATOM 1102 N ILE A 66 0.138 -6.492 2.208 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.828 -7.159 1.322 1.00 0.12 C ATOM 1104 C ILE A 66 -0.409 -8.566 0.908 1.00 0.13 C ATOM 1105 O ILE A 66 -1.215 -9.493 0.934 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.059 -6.365 0.025 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.619 -4.902 0.163 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.523 -6.449 -0.364 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.461 -4.079 1.103 1.00 0.14 C ATOM 0 H ILE A 66 0.392 -5.552 1.904 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.738 -7.214 1.919 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.447 -6.808 -0.760 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.415 -4.878 0.507 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.638 -4.436 -0.822 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.688 -5.887 -1.283 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.798 -7.492 -0.522 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.136 -6.029 0.433 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.077 -3.060 1.138 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.493 -4.066 0.751 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.424 -4.515 2.101 1.00 0.14 H new ATOM 1121 N LEU A 67 0.845 -8.700 0.516 1.00 0.12 N ATOM 1122 CA LEU A 67 1.350 -9.926 -0.101 1.00 0.14 C ATOM 1123 C LEU A 67 1.133 -11.144 0.780 1.00 0.16 C ATOM 1124 O LEU A 67 0.775 -12.218 0.297 1.00 0.21 O ATOM 1125 CB LEU A 67 2.837 -9.770 -0.388 1.00 0.15 C ATOM 1126 CG LEU A 67 3.233 -8.410 -0.951 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.700 -8.390 -1.311 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.374 -8.070 -2.155 1.00 0.16 C ATOM 0 H LEU A 67 1.546 -7.966 0.614 1.00 0.12 H new ATOM 0 HA LEU A 67 0.795 -10.084 -1.026 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.392 -9.943 0.534 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.141 -10.544 -1.093 1.00 0.15 H new ATOM 0 HG LEU A 67 3.065 -7.653 -0.185 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.963 -7.411 -1.711 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.296 -8.590 -0.421 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.901 -9.155 -2.062 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.667 -7.096 -2.548 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.511 -8.828 -2.926 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.326 -8.041 -1.858 1.00 0.16 H new ATOM 1140 N THR A 68 1.355 -10.967 2.064 1.00 0.15 N ATOM 1141 CA THR A 68 1.273 -12.063 3.006 1.00 0.18 C ATOM 1142 C THR A 68 0.007 -11.964 3.860 1.00 0.18 C ATOM 1143 O THR A 68 -0.506 -12.977 4.341 1.00 0.23 O ATOM 1144 CB THR A 68 2.532 -12.092 3.899 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.416 -13.090 4.922 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.776 -10.728 4.522 1.00 0.20 C ATOM 0 H THR A 68 1.595 -10.068 2.482 1.00 0.15 H new ATOM 0 HA THR A 68 1.221 -12.995 2.443 1.00 0.18 H new ATOM 0 HB THR A 68 3.384 -12.347 3.268 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.226 -13.089 5.473 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.667 -10.768 5.148 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.919 -9.988 3.734 1.00 0.20 H new ATOM 0 HG23 THR A 68 1.917 -10.448 5.132 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.513 -10.753 4.017 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.682 -10.532 4.856 1.00 0.19 C ATOM 1156 C ASP A 69 -2.961 -10.736 4.055 1.00 0.17 C ATOM 1157 O ASP A 69 -3.249 -9.984 3.121 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.667 -9.120 5.439 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.594 -8.968 6.628 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.771 -9.366 6.529 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.155 -8.425 7.663 1.00 0.58 O ATOM 0 H ASP A 69 -0.144 -9.911 3.575 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.651 -11.255 5.672 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.651 -8.867 5.741 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.956 -8.409 4.665 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.730 -11.745 4.440 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.972 -12.081 3.756 1.00 0.21 C ATOM 1168 C ALA A 70 -5.993 -10.959 3.857 1.00 0.18 C ATOM 1169 O ALA A 70 -6.842 -10.807 2.979 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.551 -13.364 4.324 1.00 0.27 C ATOM 0 H ALA A 70 -3.513 -12.351 5.231 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.739 -12.224 2.701 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.479 -13.605 3.805 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.837 -14.177 4.188 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.753 -13.233 5.387 1.00 0.27 H new ATOM 1176 N THR A 71 -5.900 -10.169 4.915 1.00 0.17 N ATOM 1177 CA THR A 71 -6.821 -9.068 5.117 1.00 0.17 C ATOM 1178 C THR A 71 -6.564 -7.961 4.104 1.00 0.14 C ATOM 1179 O THR A 71 -7.474 -7.507 3.421 1.00 0.15 O ATOM 1180 CB THR A 71 -6.712 -8.488 6.537 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.986 -9.506 7.513 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.676 -7.327 6.711 1.00 0.21 C ATOM 0 H THR A 71 -5.195 -10.272 5.645 1.00 0.17 H new ATOM 0 HA THR A 71 -7.827 -9.464 4.981 1.00 0.17 H new ATOM 0 HB THR A 71 -5.695 -8.123 6.684 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.912 -9.125 8.413 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.586 -6.928 7.721 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.438 -6.545 5.990 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.696 -7.674 6.547 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.315 -7.540 3.994 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.951 -6.503 3.056 1.00 0.13 C ATOM 1192 C LYS A 72 -5.135 -6.999 1.633 1.00 0.12 C ATOM 1193 O LYS A 72 -5.555 -6.249 0.767 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.514 -6.038 3.282 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.322 -5.190 4.533 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.504 -5.993 5.807 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.178 -5.170 7.041 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.207 -5.994 8.278 1.00 0.71 N ATOM 0 H LYS A 72 -4.538 -7.904 4.546 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.607 -5.648 3.218 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.867 -6.913 3.347 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.189 -5.464 2.414 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.324 -4.751 4.522 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -4.033 -4.364 4.522 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.532 -6.350 5.869 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.862 -6.874 5.777 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.192 -4.720 6.927 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.893 -4.353 7.132 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.865 -5.428 9.080 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.181 -6.306 8.465 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.595 -6.826 8.156 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.843 -8.273 1.392 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.075 -8.852 0.073 1.00 0.15 C ATOM 1214 C ARG A 73 -6.569 -8.838 -0.224 1.00 0.16 C ATOM 1215 O ARG A 73 -6.991 -8.803 -1.375 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.547 -10.283 -0.005 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.141 -10.706 -1.412 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.769 -10.158 -1.791 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.445 -10.379 -3.205 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.452 -11.166 -3.635 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.783 -11.931 -2.780 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.157 -11.216 -4.931 1.00 0.97 N ATOM 0 H ARG A 73 -4.451 -8.916 2.080 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.540 -8.256 -0.666 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.687 -10.381 0.658 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.313 -10.965 0.364 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -4.129 -11.794 -1.476 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -4.884 -10.353 -2.127 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.737 -9.090 -1.577 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.008 -10.631 -1.169 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.013 -9.902 -3.905 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.025 -11.921 -1.789 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.027 -12.529 -3.114 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.688 -10.654 -5.597 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.400 -11.816 -5.259 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.357 -8.850 0.839 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.802 -8.789 0.725 1.00 0.18 C ATOM 1238 C ASN A 74 -9.268 -7.379 0.402 1.00 0.17 C ATOM 1239 O ASN A 74 -10.239 -7.196 -0.335 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.452 -9.303 2.006 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.113 -10.647 1.805 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.556 -10.979 0.705 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.194 -11.430 2.867 1.00 0.43 N ATOM 0 H ASN A 74 -7.014 -8.902 1.798 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.110 -9.431 -0.100 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.697 -9.383 2.788 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.193 -8.582 2.351 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.636 -12.346 2.793 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.814 -11.118 3.761 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.578 -6.381 0.942 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.839 -5.003 0.553 1.00 0.13 C ATOM 1252 C ILE A 75 -8.312 -4.771 -0.850 1.00 0.14 C ATOM 1253 O ILE A 75 -8.925 -4.074 -1.628 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.230 -3.958 1.536 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.113 -3.811 2.777 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.056 -2.589 0.854 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.222 -5.062 3.617 1.00 0.20 C ATOM 0 H ILE A 75 -7.844 -6.498 1.640 1.00 0.13 H new ATOM 0 HA ILE A 75 -9.919 -4.858 0.585 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.247 -4.320 1.838 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.718 -3.006 3.396 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.113 -3.510 2.463 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.629 -1.880 1.564 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.389 -2.691 -0.002 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.026 -2.225 0.517 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.866 -4.869 4.475 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.648 -5.867 3.018 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.231 -5.354 3.965 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.190 -5.402 -1.164 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.582 -5.336 -2.492 1.00 0.18 C ATOM 1271 C TYR A 76 -7.606 -5.615 -3.597 1.00 0.19 C ATOM 1272 O TYR A 76 -7.605 -4.956 -4.640 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.417 -6.334 -2.549 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.043 -6.806 -3.935 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.215 -6.053 -4.753 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.513 -8.020 -4.417 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -3.871 -6.495 -6.015 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.172 -8.467 -5.674 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.352 -7.702 -6.469 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.007 -8.149 -7.725 1.00 0.52 O ATOM 0 H TYR A 76 -6.670 -5.979 -0.503 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.208 -4.327 -2.664 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.542 -5.873 -2.091 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.674 -7.203 -1.943 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.834 -5.107 -4.398 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.157 -8.624 -3.795 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.228 -5.897 -6.643 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.547 -9.414 -6.033 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.429 -9.018 -7.890 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.483 -6.584 -3.358 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.530 -6.928 -4.321 1.00 0.22 C ATOM 1292 C ASP A 77 -10.604 -5.845 -4.408 1.00 0.22 C ATOM 1293 O ASP A 77 -11.319 -5.747 -5.404 1.00 0.30 O ATOM 1294 CB ASP A 77 -10.183 -8.263 -3.956 1.00 0.31 C ATOM 1295 CG ASP A 77 -9.374 -9.463 -4.405 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -8.486 -9.909 -3.656 1.00 1.74 O ATOM 1297 OD2 ASP A 77 -9.641 -9.984 -5.508 1.00 1.21 O ATOM 0 H ASP A 77 -8.492 -7.146 -2.507 1.00 0.18 H new ATOM 0 HA ASP A 77 -9.049 -7.011 -5.296 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -10.322 -8.309 -2.876 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -11.174 -8.311 -4.407 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.712 -5.030 -3.370 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.736 -3.994 -3.309 1.00 0.21 C ATOM 1304 C LYS A 78 -11.130 -2.628 -3.621 1.00 0.20 C ATOM 1305 O LYS A 78 -11.499 -1.963 -4.588 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.357 -3.959 -1.906 1.00 0.22 C ATOM 1307 CG LYS A 78 -12.972 -5.275 -1.455 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.298 -5.260 0.036 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.331 -4.198 0.385 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.593 -4.128 1.850 1.00 1.92 N ATOM 0 H LYS A 78 -10.101 -5.065 -2.554 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.504 -4.223 -4.048 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.589 -3.667 -1.190 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.125 -3.186 -1.882 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.881 -5.467 -2.025 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.283 -6.092 -1.669 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -13.670 -6.240 0.335 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -12.386 -5.079 0.604 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -13.984 -3.227 0.033 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.262 -4.413 -0.139 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.474 -3.603 2.020 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -14.684 -5.091 2.233 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -13.804 -3.642 2.321 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.189 -2.233 -2.784 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.530 -0.947 -2.874 1.00 0.19 C ATOM 1326 C TYR A 79 -8.064 -1.138 -3.244 1.00 0.21 C ATOM 1327 O TYR A 79 -7.378 -1.968 -2.651 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.652 -0.222 -1.535 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.043 -0.304 -0.953 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -12.098 0.399 -1.521 1.00 0.60 C ATOM 1331 CD2 TYR A 79 -11.309 -1.113 0.144 1.00 0.50 C ATOM 1332 CE1 TYR A 79 -13.375 0.303 -1.006 1.00 0.75 C ATOM 1333 CE2 TYR A 79 -12.583 -1.217 0.658 1.00 0.65 C ATOM 1334 CZ TYR A 79 -13.612 -0.508 0.080 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.886 -0.616 0.588 1.00 0.88 O ATOM 0 H TYR A 79 -9.857 -2.808 -2.010 1.00 0.18 H new ATOM 0 HA TYR A 79 -10.006 -0.347 -3.649 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -8.941 -0.650 -0.828 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.379 0.825 -1.667 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.916 1.030 -2.378 1.00 0.60 H new ATOM 0 HD2 TYR A 79 -10.504 -1.669 0.601 1.00 0.50 H new ATOM 0 HE1 TYR A 79 -14.184 0.862 -1.453 1.00 0.75 H new ATOM 0 HE2 TYR A 79 -12.774 -1.852 1.511 1.00 0.65 H new ATOM 0 HH TYR A 79 -14.882 -1.229 1.353 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.593 -0.388 -4.227 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.197 -0.459 -4.603 1.00 0.25 C ATOM 1347 C GLY A 80 -5.284 0.199 -3.589 1.00 0.20 C ATOM 1348 O GLY A 80 -5.522 0.128 -2.381 1.00 0.22 O ATOM 0 H GLY A 80 -8.152 0.269 -4.772 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.909 -1.504 -4.721 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -6.061 0.020 -5.573 1.00 0.25 H new ATOM 1352 N SER A 81 -4.256 0.866 -4.092 1.00 0.23 N ATOM 1353 CA SER A 81 -3.219 1.470 -3.261 1.00 0.25 C ATOM 1354 C SER A 81 -3.785 2.329 -2.127 1.00 0.23 C ATOM 1355 O SER A 81 -3.232 2.348 -1.045 1.00 0.25 O ATOM 1356 CB SER A 81 -2.303 2.312 -4.149 1.00 0.34 C ATOM 1357 OG SER A 81 -1.794 1.537 -5.221 1.00 0.41 O ATOM 0 H SER A 81 -4.115 1.006 -5.092 1.00 0.23 H new ATOM 0 HA SER A 81 -2.662 0.662 -2.787 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.854 3.167 -4.541 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.478 2.709 -3.557 1.00 0.34 H new ATOM 0 HG SER A 81 -1.718 2.097 -6.022 1.00 0.41 H new ATOM 1363 N LEU A 82 -4.870 3.054 -2.365 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.423 3.917 -1.320 1.00 0.25 C ATOM 1365 C LEU A 82 -6.027 3.133 -0.168 1.00 0.22 C ATOM 1366 O LEU A 82 -5.595 3.298 0.971 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.455 4.884 -1.875 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.057 5.808 -0.821 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -5.964 6.484 -0.005 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -7.935 6.840 -1.483 1.00 0.69 C ATOM 0 H LEU A 82 -5.378 3.066 -3.250 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.577 4.485 -0.932 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -5.991 5.489 -2.654 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.256 4.315 -2.347 1.00 0.29 H new ATOM 0 HG LEU A 82 -7.664 5.210 -0.141 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -6.418 7.138 0.740 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.362 5.726 0.496 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -5.328 7.073 -0.666 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -8.361 7.496 -0.724 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -7.340 7.430 -2.180 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -8.739 6.341 -2.024 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.029 2.309 -0.449 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.637 1.522 0.599 1.00 0.23 C ATOM 1384 C GLY A 83 -6.602 0.734 1.358 1.00 0.21 C ATOM 1385 O GLY A 83 -6.684 0.591 2.568 1.00 0.23 O ATOM 0 H GLY A 83 -7.427 2.174 -1.378 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.174 2.177 1.285 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.371 0.842 0.167 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.599 0.265 0.637 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.498 -0.469 1.246 1.00 0.20 C ATOM 1391 C LEU A 84 -3.583 0.455 2.044 1.00 0.21 C ATOM 1392 O LEU A 84 -3.202 0.125 3.155 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.695 -1.203 0.185 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.433 -2.340 -0.507 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.575 -2.941 -1.606 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.814 -3.394 0.516 1.00 0.30 C ATOM 0 H LEU A 84 -5.522 0.379 -0.374 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.930 -1.196 1.934 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.376 -0.484 -0.570 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.792 -1.603 0.646 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.341 -1.950 -0.967 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.119 -3.752 -2.090 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.337 -2.174 -2.343 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.652 -3.329 -1.176 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.343 -4.208 0.020 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.913 -3.782 0.991 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.460 -2.950 1.273 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.246 1.606 1.472 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.432 2.625 2.145 1.00 0.23 C ATOM 1410 C TYR A 85 -2.862 2.796 3.593 1.00 0.24 C ATOM 1411 O TYR A 85 -2.039 2.850 4.507 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.558 3.960 1.376 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.650 5.204 2.237 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -1.513 5.893 2.642 1.00 0.38 C ATOM 1415 CD2 TYR A 85 -3.891 5.695 2.634 1.00 0.28 C ATOM 1416 CE1 TYR A 85 -1.611 7.031 3.423 1.00 0.45 C ATOM 1417 CE2 TYR A 85 -3.995 6.829 3.411 1.00 0.37 C ATOM 1418 CZ TYR A 85 -2.857 7.493 3.804 1.00 0.44 C ATOM 1419 OH TYR A 85 -2.964 8.626 4.575 1.00 0.52 O ATOM 0 H TYR A 85 -3.528 1.864 0.526 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.390 2.305 2.149 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.698 4.060 0.714 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.444 3.912 0.742 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -0.539 5.535 2.343 1.00 0.38 H new ATOM 0 HD2 TYR A 85 -4.788 5.178 2.328 1.00 0.28 H new ATOM 0 HE1 TYR A 85 -0.719 7.555 3.733 1.00 0.45 H new ATOM 0 HE2 TYR A 85 -4.966 7.194 3.710 1.00 0.37 H new ATOM 0 HH TYR A 85 -3.910 8.813 4.752 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.158 2.876 3.784 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.723 3.079 5.097 1.00 0.25 C ATOM 1431 C VAL A 86 -5.034 1.749 5.812 1.00 0.24 C ATOM 1432 O VAL A 86 -4.839 1.628 7.025 1.00 0.27 O ATOM 1433 CB VAL A 86 -5.976 3.981 4.986 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.810 3.605 3.773 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.818 3.921 6.236 1.00 0.32 C ATOM 0 H VAL A 86 -4.848 2.802 3.036 1.00 0.23 H new ATOM 0 HA VAL A 86 -3.981 3.583 5.716 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.625 5.006 4.866 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.684 4.253 3.718 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.212 3.724 2.869 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.133 2.568 3.861 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.688 4.567 6.120 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.147 2.896 6.404 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.228 4.257 7.089 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.477 0.740 5.065 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.874 -0.538 5.663 1.00 0.24 C ATOM 1447 C ALA A 87 -4.676 -1.401 6.032 1.00 0.22 C ATOM 1448 O ALA A 87 -4.713 -2.138 7.014 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.781 -1.317 4.729 1.00 0.25 C ATOM 0 H ALA A 87 -5.571 0.779 4.050 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.413 -0.294 6.578 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -7.061 -2.261 5.197 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.679 -0.734 4.523 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.256 -1.517 3.795 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.623 -1.320 5.242 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.458 -2.157 5.449 1.00 0.21 C ATOM 1457 C GLU A 88 -1.661 -1.644 6.640 1.00 0.20 C ATOM 1458 O GLU A 88 -1.112 -2.424 7.422 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.611 -2.218 4.155 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.438 -1.247 4.083 1.00 0.25 C ATOM 1461 CD GLU A 88 0.820 -1.822 4.702 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.453 -2.679 4.069 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.174 -1.442 5.835 1.00 1.24 O ATOM 0 H GLU A 88 -3.551 -0.682 4.450 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.769 -3.176 5.678 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.226 -3.232 4.043 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.267 -2.030 3.305 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.244 -0.991 3.041 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.703 -0.322 4.595 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.646 -0.329 6.789 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.863 0.317 7.825 1.00 0.24 C ATOM 1472 C GLN A 89 -1.606 0.355 9.160 1.00 0.29 C ATOM 1473 O GLN A 89 -0.991 0.205 10.214 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.484 1.730 7.375 1.00 0.25 C ATOM 1475 CG GLN A 89 0.562 1.752 6.267 1.00 0.27 C ATOM 1476 CD GLN A 89 1.973 1.482 6.774 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.319 1.840 7.902 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.798 0.832 5.956 1.00 0.38 N ATOM 0 H GLN A 89 -2.173 0.315 6.199 1.00 0.22 H new ATOM 0 HA GLN A 89 0.043 -0.268 7.982 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.380 2.246 7.029 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.106 2.287 8.232 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.303 1.006 5.516 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.539 2.723 5.773 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.480 0.550 5.029 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.748 0.616 6.256 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.924 0.539 9.122 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.695 0.654 10.359 1.00 0.34 C ATOM 1489 C PHE A 90 -4.908 -0.271 10.388 1.00 0.37 C ATOM 1490 O PHE A 90 -5.211 -0.863 11.423 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.158 2.092 10.568 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.036 3.059 10.820 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.439 3.135 12.069 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.583 3.895 9.812 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.413 4.029 12.308 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.555 4.789 10.046 1.00 0.53 C ATOM 1497 CZ PHE A 90 -0.952 4.840 11.278 1.00 0.62 C ATOM 0 H PHE A 90 -3.473 0.611 8.265 1.00 0.29 H new ATOM 0 HA PHE A 90 -3.027 0.352 11.166 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.714 2.416 9.689 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.848 2.123 11.411 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.780 2.488 12.864 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.038 3.848 8.834 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -0.971 4.097 13.291 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.225 5.449 9.257 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.121 5.509 11.447 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.618 -0.386 9.276 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.788 -1.236 9.252 1.00 0.41 C ATOM 1509 C GLY A 91 -7.945 -0.603 8.518 1.00 0.43 C ATOM 1510 O GLY A 91 -8.263 0.567 8.720 1.00 0.51 O ATOM 0 H GLY A 91 -5.407 0.089 8.398 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.535 -2.184 8.777 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -7.090 -1.462 10.275 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.595 -1.386 7.688 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.663 -0.894 6.840 1.00 0.47 C ATOM 1516 C GLU A 92 -10.910 -0.615 7.664 1.00 0.54 C ATOM 1517 O GLU A 92 -11.639 0.346 7.412 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.934 -1.934 5.750 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.938 -1.510 4.689 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.249 -2.270 4.761 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -12.871 -2.294 5.849 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -12.673 -2.847 3.742 1.00 2.23 O ATOM 0 H GLU A 92 -8.401 -2.381 7.580 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.370 0.046 6.373 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.992 -2.178 5.260 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -10.293 -2.848 6.223 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.139 -0.444 4.795 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.496 -1.655 3.703 1.00 0.92 H new ATOM 1529 N GLU A 93 -11.117 -1.435 8.678 1.00 0.57 N ATOM 1530 CA GLU A 93 -12.297 -1.328 9.514 1.00 0.66 C ATOM 1531 C GLU A 93 -12.351 -0.001 10.271 1.00 0.68 C ATOM 1532 O GLU A 93 -13.430 0.549 10.483 1.00 0.79 O ATOM 1533 CB GLU A 93 -12.354 -2.498 10.500 1.00 0.70 C ATOM 1534 CG GLU A 93 -11.142 -2.598 11.419 1.00 0.68 C ATOM 1535 CD GLU A 93 -11.257 -3.754 12.391 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -11.830 -3.571 13.484 1.00 1.33 O ATOM 1537 OE2 GLU A 93 -10.768 -4.856 12.071 1.00 1.19 O ATOM 0 H GLU A 93 -10.479 -2.186 8.943 1.00 0.57 H new ATOM 0 HA GLU A 93 -13.165 -1.363 8.855 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -13.252 -2.401 11.110 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -12.449 -3.428 9.939 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -10.241 -2.719 10.818 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -11.032 -1.667 11.975 1.00 0.68 H new ATOM 1544 N ASN A 94 -11.197 0.522 10.669 1.00 0.61 N ATOM 1545 CA ASN A 94 -11.179 1.686 11.547 1.00 0.64 C ATOM 1546 C ASN A 94 -10.889 2.988 10.802 1.00 0.65 C ATOM 1547 O ASN A 94 -11.688 3.921 10.844 1.00 0.81 O ATOM 1548 CB ASN A 94 -10.200 1.480 12.722 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.744 1.335 12.303 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -7.999 2.310 12.261 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -8.327 0.116 11.999 1.00 0.70 N ATOM 0 H ASN A 94 -10.278 0.167 10.404 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.185 1.785 11.954 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.287 2.325 13.405 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.497 0.590 13.276 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -7.358 -0.036 11.719 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.974 -0.671 12.045 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.761 3.065 10.127 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.354 4.311 9.491 1.00 0.58 C ATOM 1560 C VAL A 95 -9.853 4.419 8.059 1.00 0.62 C ATOM 1561 O VAL A 95 -10.199 5.504 7.606 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.829 4.494 9.517 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.394 5.148 10.818 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.139 3.156 9.344 1.00 0.49 C ATOM 0 H VAL A 95 -9.111 2.289 10.002 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.815 5.107 10.076 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.543 5.145 8.691 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.311 5.270 10.819 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -7.869 6.124 10.911 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.689 4.519 11.658 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.059 3.299 9.364 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.432 2.488 10.154 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.429 2.718 8.389 1.00 0.49 H new ATOM 1574 N ASN A 96 -9.909 3.303 7.346 1.00 0.57 N ATOM 1575 CA ASN A 96 -10.355 3.328 5.954 1.00 0.68 C ATOM 1576 C ASN A 96 -11.830 3.671 5.901 1.00 0.85 C ATOM 1577 O ASN A 96 -12.325 4.211 4.917 1.00 1.03 O ATOM 1578 CB ASN A 96 -10.118 1.984 5.274 1.00 0.69 C ATOM 1579 CG ASN A 96 -10.257 2.034 3.760 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -10.593 1.038 3.126 1.00 1.85 O ATOM 1581 ND2 ASN A 96 -10.003 3.184 3.165 1.00 0.66 N ATOM 0 H ASN A 96 -9.656 2.380 7.699 1.00 0.57 H new ATOM 0 HA ASN A 96 -9.777 4.085 5.423 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -9.119 1.630 5.527 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -10.825 1.256 5.671 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -10.084 3.263 2.151 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -9.726 3.994 3.719 1.00 0.66 H new ATOM 1588 N THR A 97 -12.524 3.372 6.988 1.00 0.85 N ATOM 1589 CA THR A 97 -13.930 3.685 7.083 1.00 1.05 C ATOM 1590 C THR A 97 -14.118 5.185 7.361 1.00 1.15 C ATOM 1591 O THR A 97 -15.230 5.709 7.318 1.00 1.33 O ATOM 1592 CB THR A 97 -14.623 2.835 8.176 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.009 2.659 7.852 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.504 3.482 9.549 1.00 1.08 C ATOM 0 H THR A 97 -12.133 2.914 7.811 1.00 0.85 H new ATOM 0 HA THR A 97 -14.399 3.441 6.130 1.00 1.05 H new ATOM 0 HB THR A 97 -14.122 1.867 8.210 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.136 2.772 6.887 1.00 1.33 H new ATOM 0 HG21 THR A 97 -15.002 2.857 10.290 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.451 3.587 9.812 1.00 1.08 H new ATOM 0 HG23 THR A 97 -14.973 4.466 9.530 1.00 1.08 H new ATOM 1602 N TYR A 98 -13.005 5.861 7.642 1.00 1.07 N ATOM 1603 CA TYR A 98 -13.003 7.298 7.882 1.00 1.22 C ATOM 1604 C TYR A 98 -12.428 8.026 6.666 1.00 1.24 C ATOM 1605 O TYR A 98 -12.873 9.118 6.307 1.00 1.41 O ATOM 1606 CB TYR A 98 -12.182 7.621 9.137 1.00 1.27 C ATOM 1607 CG TYR A 98 -12.219 9.077 9.541 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -13.264 9.584 10.304 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -11.207 9.945 9.159 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -13.299 10.915 10.673 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -11.233 11.277 9.523 1.00 2.45 C ATOM 1612 CZ TYR A 98 -12.292 11.754 10.290 1.00 2.47 C ATOM 1613 OH TYR A 98 -12.309 13.086 10.640 1.00 2.92 O ATOM 0 H TYR A 98 -12.084 5.427 7.709 1.00 1.07 H new ATOM 0 HA TYR A 98 -14.027 7.635 8.042 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -12.551 7.016 9.965 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -11.146 7.329 8.965 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -14.063 8.926 10.614 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -10.384 9.573 8.567 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -14.121 11.291 11.263 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -10.439 11.942 9.216 1.00 2.45 H new ATOM 0 HH TYR A 98 -11.512 13.529 10.281 1.00 2.92 H new ATOM 1623 N PHE A 99 -11.431 7.410 6.040 1.00 1.23 N ATOM 1624 CA PHE A 99 -10.851 7.932 4.807 1.00 1.37 C ATOM 1625 C PHE A 99 -11.752 7.617 3.617 1.00 1.73 C ATOM 1626 O PHE A 99 -12.890 7.178 3.785 1.00 2.11 O ATOM 1627 CB PHE A 99 -9.457 7.337 4.570 1.00 1.72 C ATOM 1628 CG PHE A 99 -8.372 7.936 5.424 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -8.100 7.418 6.679 1.00 3.29 C ATOM 1630 CD2 PHE A 99 -7.633 9.021 4.978 1.00 3.47 C ATOM 1631 CE1 PHE A 99 -7.113 7.967 7.473 1.00 4.51 C ATOM 1632 CE2 PHE A 99 -6.645 9.574 5.769 1.00 4.65 C ATOM 1633 CZ PHE A 99 -6.354 9.037 6.984 1.00 5.17 C ATOM 0 H PHE A 99 -11.005 6.543 6.368 1.00 1.23 H new ATOM 0 HA PHE A 99 -10.761 9.013 4.909 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -9.497 6.264 4.755 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -9.192 7.470 3.521 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -8.667 6.574 7.041 1.00 3.29 H new ATOM 0 HD2 PHE A 99 -7.832 9.438 4.002 1.00 3.47 H new ATOM 0 HE1 PHE A 99 -6.928 7.575 8.462 1.00 4.51 H new ATOM 0 HE2 PHE A 99 -6.100 10.439 5.420 1.00 4.65 H new ATOM 0 HZ PHE A 99 -5.539 9.435 7.570 1.00 5.17 H new ATOM 1643 N VAL A 100 -11.244 7.860 2.423 1.00 1.96 N ATOM 1644 CA VAL A 100 -11.971 7.546 1.210 1.00 2.64 C ATOM 1645 C VAL A 100 -11.559 6.167 0.679 1.00 3.27 C ATOM 1646 O VAL A 100 -10.461 6.042 0.098 1.00 3.70 O ATOM 1647 CB VAL A 100 -11.777 8.651 0.139 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -10.306 8.993 -0.055 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -12.418 8.249 -1.181 1.00 3.58 C ATOM 1650 OXT VAL A 100 -12.332 5.208 0.874 1.00 3.84 O ATOM 0 H VAL A 100 -10.326 8.276 2.268 1.00 1.96 H new ATOM 0 HA VAL A 100 -13.034 7.510 1.447 1.00 2.64 H new ATOM 0 HB VAL A 100 -12.278 9.548 0.502 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -10.210 9.771 -0.813 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -9.888 9.350 0.886 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -9.765 8.103 -0.378 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -12.268 9.041 -1.915 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -11.960 7.328 -1.542 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -13.486 8.089 -1.033 1.00 3.58 H new TER 1660 VAL A 100