USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 65:sc= 0.913 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.71! C(o=-5.7!,f=-6.1!) USER MOD Single : A 23 GLN : amide:sc= -3.47! C(o=-3.5!,f=-5.9!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.309 F(o=-1.1,f=-0.31) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.827 USER MOD Single : A 33 LYS NZ :NH3+ -164:sc=-0.00939 (180deg=-0.148) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 41 SER OG : rot -52:sc= 0.473 USER MOD Single : A 42 ASN : amide:sc= 1.06 K(o=1.1,f=-0.033) USER MOD Single : A 45 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.32) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.96) USER MOD Single : A 57 ASN : amide:sc= 0.0954 K(o=0.095,f=-0.6) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 38:sc= 0.749 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.947 -3.690 -35.842 1.00 0.00 N ATOM 2 CA GLY A 1 -12.216 -3.205 -34.500 1.00 0.00 C ATOM 3 C GLY A 1 -11.261 -3.781 -33.474 1.00 0.00 C ATOM 4 O GLY A 1 -11.337 -4.963 -33.140 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.626 -3.267 -36.507 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.980 -3.425 -36.120 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.041 -4.726 -35.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.144 -2.117 -34.489 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.239 -3.460 -34.223 1.00 0.00 H new ATOM 8 N SER A 2 -10.358 -2.944 -32.973 1.00 0.00 N ATOM 9 CA SER A 2 -9.380 -3.378 -31.982 1.00 0.00 C ATOM 10 C SER A 2 -9.988 -3.380 -30.583 1.00 0.00 C ATOM 11 O SER A 2 -10.843 -2.554 -30.264 1.00 0.00 O ATOM 12 CB SER A 2 -8.151 -2.467 -32.015 1.00 0.00 C ATOM 13 OG SER A 2 -8.472 -1.161 -31.568 1.00 0.00 O ATOM 0 H SER A 2 -10.283 -1.962 -33.237 1.00 0.00 H new ATOM 0 HA SER A 2 -9.076 -4.395 -32.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.366 -2.887 -31.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.756 -2.421 -33.030 1.00 0.00 H new ATOM 0 HG SER A 2 -7.670 -0.599 -31.597 1.00 0.00 H new ATOM 19 N SER A 3 -9.541 -4.316 -29.752 1.00 0.00 N ATOM 20 CA SER A 3 -10.043 -4.430 -28.387 1.00 0.00 C ATOM 21 C SER A 3 -8.908 -4.730 -27.414 1.00 0.00 C ATOM 22 O SER A 3 -7.758 -4.903 -27.817 1.00 0.00 O ATOM 23 CB SER A 3 -11.106 -5.528 -28.303 1.00 0.00 C ATOM 24 OG SER A 3 -12.366 -5.052 -28.742 1.00 0.00 O ATOM 0 H SER A 3 -8.832 -5.006 -30.000 1.00 0.00 H new ATOM 0 HA SER A 3 -10.492 -3.476 -28.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.803 -6.379 -28.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.186 -5.884 -27.276 1.00 0.00 H new ATOM 0 HG SER A 3 -13.027 -5.772 -28.680 1.00 0.00 H new ATOM 30 N GLY A 4 -9.239 -4.789 -26.127 1.00 0.00 N ATOM 31 CA GLY A 4 -8.237 -5.067 -25.115 1.00 0.00 C ATOM 32 C GLY A 4 -7.038 -4.146 -25.217 1.00 0.00 C ATOM 33 O GLY A 4 -7.106 -2.982 -24.821 1.00 0.00 O ATOM 0 H GLY A 4 -10.183 -4.649 -25.768 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.686 -4.966 -24.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.906 -6.101 -25.211 1.00 0.00 H new ATOM 37 N SER A 5 -5.937 -4.667 -25.748 1.00 0.00 N ATOM 38 CA SER A 5 -4.715 -3.884 -25.896 1.00 0.00 C ATOM 39 C SER A 5 -5.014 -2.523 -26.519 1.00 0.00 C ATOM 40 O SER A 5 -5.409 -2.434 -27.681 1.00 0.00 O ATOM 41 CB SER A 5 -3.701 -4.639 -26.756 1.00 0.00 C ATOM 42 OG SER A 5 -2.470 -3.941 -26.825 1.00 0.00 O ATOM 0 H SER A 5 -5.865 -5.628 -26.083 1.00 0.00 H new ATOM 0 HA SER A 5 -4.292 -3.725 -24.904 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.536 -5.633 -26.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.102 -4.776 -27.760 1.00 0.00 H new ATOM 0 HG SER A 5 -1.838 -4.446 -27.379 1.00 0.00 H new ATOM 48 N SER A 6 -4.822 -1.466 -25.736 1.00 0.00 N ATOM 49 CA SER A 6 -5.074 -0.110 -26.208 1.00 0.00 C ATOM 50 C SER A 6 -3.921 0.817 -25.838 1.00 0.00 C ATOM 51 O SER A 6 -4.133 1.954 -25.418 1.00 0.00 O ATOM 52 CB SER A 6 -6.381 0.423 -25.618 1.00 0.00 C ATOM 53 OG SER A 6 -7.477 -0.401 -25.977 1.00 0.00 O ATOM 0 H SER A 6 -4.493 -1.523 -24.772 1.00 0.00 H new ATOM 0 HA SER A 6 -5.159 -0.140 -27.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.300 0.473 -24.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.555 1.439 -25.971 1.00 0.00 H new ATOM 0 HG SER A 6 -7.367 -1.287 -25.573 1.00 0.00 H new ATOM 59 N GLY A 7 -2.697 0.322 -25.998 1.00 0.00 N ATOM 60 CA GLY A 7 -1.527 1.118 -25.676 1.00 0.00 C ATOM 61 C GLY A 7 -0.237 0.333 -25.810 1.00 0.00 C ATOM 62 O GLY A 7 -0.188 -0.853 -25.483 1.00 0.00 O ATOM 0 H GLY A 7 -2.495 -0.616 -26.345 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.490 1.987 -26.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.616 1.493 -24.657 1.00 0.00 H new ATOM 66 N ARG A 8 0.809 0.994 -26.293 1.00 0.00 N ATOM 67 CA ARG A 8 2.105 0.350 -26.472 1.00 0.00 C ATOM 68 C ARG A 8 2.428 -0.558 -25.289 1.00 0.00 C ATOM 69 O ARG A 8 2.685 -1.750 -25.460 1.00 0.00 O ATOM 70 CB ARG A 8 3.203 1.401 -26.637 1.00 0.00 C ATOM 71 CG ARG A 8 4.600 0.811 -26.746 1.00 0.00 C ATOM 72 CD ARG A 8 5.608 1.850 -27.213 1.00 0.00 C ATOM 73 NE ARG A 8 5.724 1.885 -28.669 1.00 0.00 N ATOM 74 CZ ARG A 8 6.496 1.058 -29.365 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.216 0.135 -28.741 1.00 0.00 N ATOM 76 NH2 ARG A 8 6.548 1.152 -30.687 1.00 0.00 N ATOM 0 H ARG A 8 0.785 1.976 -26.568 1.00 0.00 H new ATOM 0 HA ARG A 8 2.058 -0.260 -27.374 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.997 1.992 -27.529 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.171 2.084 -25.788 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.906 0.415 -25.777 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.589 -0.027 -27.444 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.310 2.833 -26.849 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.583 1.631 -26.777 1.00 0.00 H new ATOM 0 HE ARG A 8 5.182 2.583 -29.179 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.178 0.059 -27.725 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.808 -0.499 -29.278 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.995 1.860 -31.170 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.141 0.516 -31.221 1.00 0.00 H new ATOM 90 N SER A 9 2.415 0.014 -24.090 1.00 0.00 N ATOM 91 CA SER A 9 2.712 -0.742 -22.878 1.00 0.00 C ATOM 92 C SER A 9 1.427 -1.152 -22.166 1.00 0.00 C ATOM 93 O SER A 9 0.626 -0.305 -21.770 1.00 0.00 O ATOM 94 CB SER A 9 3.589 0.086 -21.937 1.00 0.00 C ATOM 95 OG SER A 9 3.839 -0.611 -20.729 1.00 0.00 O ATOM 0 H SER A 9 2.202 0.999 -23.931 1.00 0.00 H new ATOM 0 HA SER A 9 3.252 -1.645 -23.165 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.534 0.321 -22.427 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.099 1.035 -21.719 1.00 0.00 H new ATOM 0 HG SER A 9 4.403 -0.062 -20.145 1.00 0.00 H new ATOM 101 N SER A 10 1.237 -2.457 -22.006 1.00 0.00 N ATOM 102 CA SER A 10 0.047 -2.982 -21.344 1.00 0.00 C ATOM 103 C SER A 10 0.101 -2.719 -19.842 1.00 0.00 C ATOM 104 O SER A 10 0.686 -3.494 -19.086 1.00 0.00 O ATOM 105 CB SER A 10 -0.088 -4.483 -21.607 1.00 0.00 C ATOM 106 OG SER A 10 -1.393 -4.939 -21.297 1.00 0.00 O ATOM 0 H SER A 10 1.891 -3.171 -22.325 1.00 0.00 H new ATOM 0 HA SER A 10 -0.823 -2.469 -21.754 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.136 -4.694 -22.653 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.643 -5.027 -21.009 1.00 0.00 H new ATOM 0 HG SER A 10 -1.454 -5.901 -21.475 1.00 0.00 H new ATOM 112 N ARG A 11 -0.515 -1.620 -19.418 1.00 0.00 N ATOM 113 CA ARG A 11 -0.537 -1.254 -18.007 1.00 0.00 C ATOM 114 C ARG A 11 -1.600 -2.050 -17.255 1.00 0.00 C ATOM 115 O ARG A 11 -2.605 -2.465 -17.833 1.00 0.00 O ATOM 116 CB ARG A 11 -0.803 0.245 -17.852 1.00 0.00 C ATOM 117 CG ARG A 11 0.418 1.111 -18.119 1.00 0.00 C ATOM 118 CD ARG A 11 0.032 2.565 -18.340 1.00 0.00 C ATOM 119 NE ARG A 11 -0.285 3.243 -17.086 1.00 0.00 N ATOM 120 CZ ARG A 11 0.631 3.796 -16.297 1.00 0.00 C ATOM 121 NH1 ARG A 11 1.913 3.750 -16.632 1.00 0.00 N ATOM 122 NH2 ARG A 11 0.264 4.395 -15.172 1.00 0.00 N ATOM 0 H ARG A 11 -1.005 -0.968 -20.031 1.00 0.00 H new ATOM 0 HA ARG A 11 0.438 -1.490 -17.581 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.601 0.536 -18.535 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.162 0.439 -16.841 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.107 1.040 -17.277 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.946 0.736 -18.996 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.850 3.086 -18.837 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.829 2.614 -19.007 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.263 3.295 -16.800 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.198 3.290 -17.496 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.614 4.175 -16.025 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.722 4.432 -14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.967 4.819 -14.567 1.00 0.00 H new ATOM 136 N THR A 12 -1.370 -2.260 -15.963 1.00 0.00 N ATOM 137 CA THR A 12 -2.305 -3.008 -15.132 1.00 0.00 C ATOM 138 C THR A 12 -3.034 -2.087 -14.160 1.00 0.00 C ATOM 139 O THR A 12 -2.415 -1.260 -13.490 1.00 0.00 O ATOM 140 CB THR A 12 -1.588 -4.113 -14.334 1.00 0.00 C ATOM 141 OG1 THR A 12 -0.811 -4.929 -15.217 1.00 0.00 O ATOM 142 CG2 THR A 12 -2.592 -4.979 -13.587 1.00 0.00 C ATOM 0 H THR A 12 -0.544 -1.922 -15.469 1.00 0.00 H new ATOM 0 HA THR A 12 -3.028 -3.468 -15.805 1.00 0.00 H new ATOM 0 HB THR A 12 -0.930 -3.637 -13.607 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.357 -5.628 -14.702 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.062 -5.752 -13.031 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.162 -4.360 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.271 -5.446 -14.300 1.00 0.00 H new ATOM 150 N ARG A 13 -4.353 -2.236 -14.088 1.00 0.00 N ATOM 151 CA ARG A 13 -5.167 -1.416 -13.198 1.00 0.00 C ATOM 152 C ARG A 13 -5.762 -2.260 -12.075 1.00 0.00 C ATOM 153 O ARG A 13 -6.709 -3.018 -12.288 1.00 0.00 O ATOM 154 CB ARG A 13 -6.286 -0.730 -13.983 1.00 0.00 C ATOM 155 CG ARG A 13 -7.207 -1.700 -14.704 1.00 0.00 C ATOM 156 CD ARG A 13 -7.832 -1.063 -15.936 1.00 0.00 C ATOM 157 NE ARG A 13 -9.085 -0.382 -15.623 1.00 0.00 N ATOM 158 CZ ARG A 13 -9.590 0.602 -16.360 1.00 0.00 C ATOM 159 NH1 ARG A 13 -8.952 1.017 -17.445 1.00 0.00 N ATOM 160 NH2 ARG A 13 -10.736 1.173 -16.011 1.00 0.00 N ATOM 0 H ARG A 13 -4.880 -2.916 -14.635 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.524 -0.655 -12.756 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.877 -0.121 -13.299 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.843 -0.052 -14.713 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.646 -2.587 -14.997 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.993 -2.030 -14.025 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.131 -0.351 -16.371 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.014 -1.831 -16.688 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.601 -0.677 -14.794 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.071 0.581 -17.717 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.342 1.772 -18.008 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.230 0.857 -15.177 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.123 1.928 -16.577 1.00 0.00 H new ATOM 174 N PHE A 14 -5.200 -2.125 -10.878 1.00 0.00 N ATOM 175 CA PHE A 14 -5.674 -2.875 -9.721 1.00 0.00 C ATOM 176 C PHE A 14 -6.828 -2.149 -9.036 1.00 0.00 C ATOM 177 O PHE A 14 -7.071 -0.968 -9.289 1.00 0.00 O ATOM 178 CB PHE A 14 -4.532 -3.095 -8.727 1.00 0.00 C ATOM 179 CG PHE A 14 -3.231 -3.463 -9.379 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.426 -2.489 -9.948 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.812 -4.783 -9.425 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.227 -2.824 -10.549 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.615 -5.124 -10.025 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.822 -4.144 -10.588 1.00 0.00 C ATOM 0 H PHE A 14 -4.415 -1.503 -10.684 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.034 -3.843 -10.070 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.391 -2.187 -8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.815 -3.883 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.739 -1.456 -9.922 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.428 -5.554 -8.987 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.608 -2.055 -10.987 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.300 -6.157 -10.054 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.113 -4.409 -11.058 1.00 0.00 H new ATOM 194 N THR A 15 -7.537 -2.863 -8.168 1.00 0.00 N ATOM 195 CA THR A 15 -8.666 -2.289 -7.448 1.00 0.00 C ATOM 196 C THR A 15 -8.343 -2.114 -5.968 1.00 0.00 C ATOM 197 O THR A 15 -7.536 -2.856 -5.408 1.00 0.00 O ATOM 198 CB THR A 15 -9.926 -3.164 -7.587 1.00 0.00 C ATOM 199 OG1 THR A 15 -10.996 -2.609 -6.814 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.648 -4.588 -7.129 1.00 0.00 C ATOM 0 H THR A 15 -7.349 -3.841 -7.947 1.00 0.00 H new ATOM 0 HA THR A 15 -8.860 -1.313 -7.893 1.00 0.00 H new ATOM 0 HB THR A 15 -10.212 -3.186 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.794 -3.170 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.552 -5.188 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.853 -5.018 -7.739 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.340 -4.580 -6.084 1.00 0.00 H new ATOM 208 N ASP A 16 -8.978 -1.130 -5.341 1.00 0.00 N ATOM 209 CA ASP A 16 -8.760 -0.860 -3.925 1.00 0.00 C ATOM 210 C ASP A 16 -8.503 -2.153 -3.158 1.00 0.00 C ATOM 211 O ASP A 16 -7.604 -2.221 -2.319 1.00 0.00 O ATOM 212 CB ASP A 16 -9.966 -0.131 -3.331 1.00 0.00 C ATOM 213 CG ASP A 16 -10.476 0.976 -4.233 1.00 0.00 C ATOM 214 OD1 ASP A 16 -11.161 0.661 -5.228 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.189 2.157 -3.945 1.00 0.00 O ATOM 0 H ASP A 16 -9.648 -0.506 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.880 -0.224 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.768 -0.847 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.692 0.290 -2.364 1.00 0.00 H new ATOM 220 N TYR A 17 -9.298 -3.176 -3.450 1.00 0.00 N ATOM 221 CA TYR A 17 -9.159 -4.466 -2.785 1.00 0.00 C ATOM 222 C TYR A 17 -7.739 -5.003 -2.930 1.00 0.00 C ATOM 223 O TYR A 17 -7.122 -5.425 -1.952 1.00 0.00 O ATOM 224 CB TYR A 17 -10.158 -5.471 -3.363 1.00 0.00 C ATOM 225 CG TYR A 17 -9.750 -6.913 -3.162 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.263 -7.353 -1.938 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.851 -7.835 -4.197 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.889 -8.670 -1.749 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.481 -9.153 -4.017 1.00 0.00 C ATOM 230 CZ TYR A 17 -9.000 -9.566 -2.792 1.00 0.00 C ATOM 231 OH TYR A 17 -8.628 -10.878 -2.610 1.00 0.00 O ATOM 0 H TYR A 17 -10.046 -3.137 -4.143 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.368 -4.324 -1.725 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.132 -5.310 -2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.276 -5.281 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.175 -6.654 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.225 -7.515 -5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.512 -8.996 -0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.568 -9.857 -4.831 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.770 -11.377 -3.442 1.00 0.00 H new ATOM 241 N GLN A 18 -7.227 -4.983 -4.156 1.00 0.00 N ATOM 242 CA GLN A 18 -5.880 -5.468 -4.429 1.00 0.00 C ATOM 243 C GLN A 18 -4.833 -4.480 -3.925 1.00 0.00 C ATOM 244 O GLN A 18 -3.889 -4.860 -3.230 1.00 0.00 O ATOM 245 CB GLN A 18 -5.694 -5.704 -5.929 1.00 0.00 C ATOM 246 CG GLN A 18 -6.704 -6.673 -6.522 1.00 0.00 C ATOM 247 CD GLN A 18 -6.148 -7.446 -7.702 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.585 -6.864 -8.630 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.305 -8.764 -7.673 1.00 0.00 N ATOM 0 H GLN A 18 -7.725 -4.636 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.747 -6.412 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.769 -4.750 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.689 -6.086 -6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.025 -7.374 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.589 -6.121 -6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.778 -9.204 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.953 -9.337 -8.440 1.00 0.00 H new ATOM 258 N LEU A 19 -5.005 -3.211 -4.278 1.00 0.00 N ATOM 259 CA LEU A 19 -4.075 -2.168 -3.861 1.00 0.00 C ATOM 260 C LEU A 19 -3.930 -2.143 -2.343 1.00 0.00 C ATOM 261 O LEU A 19 -2.875 -1.788 -1.817 1.00 0.00 O ATOM 262 CB LEU A 19 -4.552 -0.803 -4.362 1.00 0.00 C ATOM 263 CG LEU A 19 -4.445 -0.566 -5.869 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.221 0.679 -6.270 1.00 0.00 C ATOM 265 CD2 LEU A 19 -2.988 -0.447 -6.289 1.00 0.00 C ATOM 0 H LEU A 19 -5.780 -2.880 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.100 -2.388 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.593 -0.674 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.978 -0.030 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.881 -1.422 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.133 0.832 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.271 0.554 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.816 1.545 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.932 -0.279 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.526 0.390 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.461 -1.367 -6.038 1.00 0.00 H new ATOM 277 N ARG A 20 -4.994 -2.524 -1.645 1.00 0.00 N ATOM 278 CA ARG A 20 -4.985 -2.547 -0.188 1.00 0.00 C ATOM 279 C ARG A 20 -4.000 -3.589 0.333 1.00 0.00 C ATOM 280 O ARG A 20 -3.232 -3.326 1.259 1.00 0.00 O ATOM 281 CB ARG A 20 -6.387 -2.841 0.348 1.00 0.00 C ATOM 282 CG ARG A 20 -6.483 -2.786 1.864 1.00 0.00 C ATOM 283 CD ARG A 20 -6.255 -1.377 2.387 1.00 0.00 C ATOM 284 NE ARG A 20 -7.311 -0.460 1.967 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.621 0.653 2.623 1.00 0.00 C ATOM 286 NH1 ARG A 20 -6.958 0.986 3.722 1.00 0.00 N ATOM 287 NH2 ARG A 20 -8.595 1.437 2.178 1.00 0.00 N ATOM 0 H ARG A 20 -5.874 -2.821 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.668 -1.565 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.088 -2.123 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.697 -3.829 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.465 -3.138 2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.747 -3.461 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.205 -1.398 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.293 -1.009 2.031 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.839 -0.686 1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.208 0.387 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.198 1.841 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.106 1.185 1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.833 2.291 2.682 1.00 0.00 H new ATOM 301 N VAL A 21 -4.029 -4.775 -0.267 1.00 0.00 N ATOM 302 CA VAL A 21 -3.139 -5.858 0.136 1.00 0.00 C ATOM 303 C VAL A 21 -1.705 -5.583 -0.304 1.00 0.00 C ATOM 304 O VAL A 21 -0.760 -5.788 0.459 1.00 0.00 O ATOM 305 CB VAL A 21 -3.595 -7.207 -0.451 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.624 -8.312 -0.066 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.006 -7.539 0.011 1.00 0.00 C ATOM 0 H VAL A 21 -4.659 -5.010 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.178 -5.912 1.224 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.603 -7.127 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.962 -9.258 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.632 -8.076 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.580 -8.396 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.312 -8.495 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.027 -7.601 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.691 -6.759 -0.321 1.00 0.00 H new ATOM 317 N LEU A 22 -1.550 -5.118 -1.538 1.00 0.00 N ATOM 318 CA LEU A 22 -0.230 -4.813 -2.081 1.00 0.00 C ATOM 319 C LEU A 22 0.417 -3.658 -1.324 1.00 0.00 C ATOM 320 O LEU A 22 1.586 -3.728 -0.948 1.00 0.00 O ATOM 321 CB LEU A 22 -0.335 -4.469 -3.567 1.00 0.00 C ATOM 322 CG LEU A 22 -0.839 -5.586 -4.481 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.317 -5.016 -5.808 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.251 -6.624 -4.706 1.00 0.00 C ATOM 0 H LEU A 22 -2.321 -4.944 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 22 0.397 -5.697 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.999 -3.611 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.649 -4.156 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.683 -6.074 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.672 -5.826 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.130 -4.312 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.492 -4.501 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.126 -7.411 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.115 -6.149 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.545 -7.056 -3.749 1.00 0.00 H new ATOM 336 N GLN A 23 -0.354 -2.598 -1.101 1.00 0.00 N ATOM 337 CA GLN A 23 0.144 -1.428 -0.388 1.00 0.00 C ATOM 338 C GLN A 23 0.394 -1.752 1.082 1.00 0.00 C ATOM 339 O GLN A 23 1.359 -1.275 1.678 1.00 0.00 O ATOM 340 CB GLN A 23 -0.849 -0.271 -0.505 1.00 0.00 C ATOM 341 CG GLN A 23 -0.219 1.096 -0.293 1.00 0.00 C ATOM 342 CD GLN A 23 0.724 1.126 0.893 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.300 0.999 2.042 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.013 1.294 0.621 1.00 0.00 N ATOM 0 H GLN A 23 -1.325 -2.526 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 23 1.090 -1.133 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.312 -0.299 -1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.646 -0.412 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.325 1.385 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.006 1.836 -0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.321 1.395 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.695 1.322 1.379 1.00 0.00 H new ATOM 353 N ASP A 24 -0.483 -2.566 1.660 1.00 0.00 N ATOM 354 CA ASP A 24 -0.357 -2.955 3.059 1.00 0.00 C ATOM 355 C ASP A 24 0.912 -3.771 3.285 1.00 0.00 C ATOM 356 O ASP A 24 1.591 -3.613 4.300 1.00 0.00 O ATOM 357 CB ASP A 24 -1.581 -3.761 3.499 1.00 0.00 C ATOM 358 CG ASP A 24 -1.522 -4.153 4.962 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.905 -3.324 5.814 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.093 -5.288 5.255 1.00 0.00 O ATOM 0 H ASP A 24 -1.288 -2.969 1.181 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.295 -2.047 3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.482 -3.175 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.659 -4.660 2.888 1.00 0.00 H new ATOM 365 N PHE A 25 1.226 -4.644 2.334 1.00 0.00 N ATOM 366 CA PHE A 25 2.412 -5.486 2.430 1.00 0.00 C ATOM 367 C PHE A 25 3.677 -4.675 2.163 1.00 0.00 C ATOM 368 O PHE A 25 4.756 -5.007 2.654 1.00 0.00 O ATOM 369 CB PHE A 25 2.320 -6.649 1.440 1.00 0.00 C ATOM 370 CG PHE A 25 3.327 -7.734 1.694 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.675 -7.514 1.464 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.924 -8.974 2.162 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.604 -8.510 1.697 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.849 -9.974 2.397 1.00 0.00 C ATOM 375 CZ PHE A 25 5.191 -9.742 2.164 1.00 0.00 C ATOM 0 H PHE A 25 0.675 -4.787 1.488 1.00 0.00 H new ATOM 0 HA PHE A 25 2.463 -5.884 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.318 -7.076 1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.457 -6.266 0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.004 -6.553 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.876 -9.161 2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.652 -8.325 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.523 -10.936 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.915 -10.522 2.347 1.00 0.00 H new ATOM 385 N PHE A 26 3.537 -3.611 1.380 1.00 0.00 N ATOM 386 CA PHE A 26 4.667 -2.753 1.045 1.00 0.00 C ATOM 387 C PHE A 26 5.046 -1.866 2.228 1.00 0.00 C ATOM 388 O PHE A 26 6.215 -1.782 2.605 1.00 0.00 O ATOM 389 CB PHE A 26 4.335 -1.885 -0.171 1.00 0.00 C ATOM 390 CG PHE A 26 5.409 -0.892 -0.511 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.563 0.264 0.237 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.265 -1.115 -1.577 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.550 1.180 -0.074 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.254 -0.203 -1.893 1.00 0.00 C ATOM 395 CZ PHE A 26 7.397 0.946 -1.140 1.00 0.00 C ATOM 0 H PHE A 26 2.651 -3.322 0.965 1.00 0.00 H new ATOM 0 HA PHE A 26 5.517 -3.392 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.163 -2.531 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.404 -1.351 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.905 0.451 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.158 -2.012 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.659 2.078 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.914 -0.388 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.170 1.660 -1.384 1.00 0.00 H new ATOM 405 N ASP A 27 4.050 -1.207 2.808 1.00 0.00 N ATOM 406 CA ASP A 27 4.277 -0.327 3.949 1.00 0.00 C ATOM 407 C ASP A 27 5.052 -1.049 5.047 1.00 0.00 C ATOM 408 O ASP A 27 5.787 -0.428 5.813 1.00 0.00 O ATOM 409 CB ASP A 27 2.945 0.184 4.499 1.00 0.00 C ATOM 410 CG ASP A 27 3.104 1.448 5.321 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.234 2.535 4.719 1.00 0.00 O ATOM 412 OD2 ASP A 27 3.100 1.351 6.565 1.00 0.00 O ATOM 0 H ASP A 27 3.077 -1.265 2.507 1.00 0.00 H new ATOM 0 HA ASP A 27 4.870 0.522 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.263 0.376 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.488 -0.591 5.114 1.00 0.00 H new ATOM 417 N ALA A 28 4.880 -2.365 5.117 1.00 0.00 N ATOM 418 CA ALA A 28 5.563 -3.172 6.121 1.00 0.00 C ATOM 419 C ALA A 28 6.830 -3.800 5.550 1.00 0.00 C ATOM 420 O ALA A 28 7.874 -3.814 6.201 1.00 0.00 O ATOM 421 CB ALA A 28 4.632 -4.251 6.655 1.00 0.00 C ATOM 0 H ALA A 28 4.274 -2.895 4.491 1.00 0.00 H new ATOM 0 HA ALA A 28 5.851 -2.517 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.156 -4.846 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.757 -3.785 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.315 -4.896 5.836 1.00 0.00 H new ATOM 427 N ASN A 29 6.731 -4.319 4.330 1.00 0.00 N ATOM 428 CA ASN A 29 7.870 -4.949 3.673 1.00 0.00 C ATOM 429 C ASN A 29 7.854 -4.671 2.173 1.00 0.00 C ATOM 430 O ASN A 29 6.876 -4.965 1.487 1.00 0.00 O ATOM 431 CB ASN A 29 7.858 -6.459 3.923 1.00 0.00 C ATOM 432 CG ASN A 29 9.181 -7.113 3.574 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.119 -8.216 2.837 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.246 -6.632 3.963 1.00 0.00 N flip ATOM 0 H ASN A 29 5.874 -4.315 3.777 1.00 0.00 H new ATOM 0 HA ASN A 29 8.781 -4.525 4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.627 -6.649 4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.063 -6.916 3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.246 -5.782 4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.128 -7.083 3.721 1.00 0.00 H new ATOM 441 N ALA A 30 8.946 -4.104 1.671 1.00 0.00 N ATOM 442 CA ALA A 30 9.060 -3.789 0.252 1.00 0.00 C ATOM 443 C ALA A 30 10.230 -4.531 -0.383 1.00 0.00 C ATOM 444 O ALA A 30 10.607 -4.256 -1.523 1.00 0.00 O ATOM 445 CB ALA A 30 9.215 -2.288 0.056 1.00 0.00 C ATOM 0 H ALA A 30 9.764 -3.853 2.226 1.00 0.00 H new ATOM 0 HA ALA A 30 8.145 -4.117 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.299 -2.067 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.344 -1.776 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.113 -1.945 0.570 1.00 0.00 H new ATOM 451 N TYR A 31 10.801 -5.473 0.360 1.00 0.00 N ATOM 452 CA TYR A 31 11.931 -6.253 -0.130 1.00 0.00 C ATOM 453 C TYR A 31 11.725 -7.740 0.141 1.00 0.00 C ATOM 454 O TYR A 31 12.642 -8.458 0.539 1.00 0.00 O ATOM 455 CB TYR A 31 13.228 -5.779 0.526 1.00 0.00 C ATOM 456 CG TYR A 31 13.668 -4.404 0.076 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.869 -3.289 0.300 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.882 -4.219 -0.574 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.266 -2.031 -0.110 1.00 0.00 C ATOM 460 CE2 TYR A 31 15.288 -2.965 -0.987 1.00 0.00 C ATOM 461 CZ TYR A 31 14.476 -1.874 -0.753 1.00 0.00 C ATOM 462 OH TYR A 31 14.876 -0.623 -1.163 1.00 0.00 O ATOM 0 H TYR A 31 10.500 -5.715 1.304 1.00 0.00 H new ATOM 0 HA TYR A 31 12.002 -6.105 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.097 -5.773 1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.020 -6.495 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.921 -3.408 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 31 15.519 -5.071 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.633 -1.175 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 31 16.235 -2.839 -1.490 1.00 0.00 H new ATOM 0 HH TYR A 31 15.752 -0.686 -1.598 1.00 0.00 H new ATOM 472 N PRO A 32 10.490 -8.215 -0.081 1.00 0.00 N ATOM 473 CA PRO A 32 10.133 -9.621 0.132 1.00 0.00 C ATOM 474 C PRO A 32 10.779 -10.545 -0.896 1.00 0.00 C ATOM 475 O PRO A 32 11.208 -10.102 -1.961 1.00 0.00 O ATOM 476 CB PRO A 32 8.610 -9.628 -0.026 1.00 0.00 C ATOM 477 CG PRO A 32 8.314 -8.455 -0.895 1.00 0.00 C ATOM 478 CD PRO A 32 9.348 -7.417 -0.556 1.00 0.00 C ATOM 0 HA PRO A 32 10.477 -9.987 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.264 -10.556 -0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.111 -9.541 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.366 -8.727 -1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.308 -8.078 -0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.613 -6.815 -1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.991 -6.730 0.211 1.00 0.00 H new ATOM 486 N LYS A 33 10.844 -11.831 -0.569 1.00 0.00 N ATOM 487 CA LYS A 33 11.436 -12.819 -1.464 1.00 0.00 C ATOM 488 C LYS A 33 10.356 -13.562 -2.244 1.00 0.00 C ATOM 489 O LYS A 33 9.166 -13.420 -1.964 1.00 0.00 O ATOM 490 CB LYS A 33 12.282 -13.815 -0.668 1.00 0.00 C ATOM 491 CG LYS A 33 13.397 -13.163 0.132 1.00 0.00 C ATOM 492 CD LYS A 33 14.567 -14.111 0.332 1.00 0.00 C ATOM 493 CE LYS A 33 14.299 -15.097 1.459 1.00 0.00 C ATOM 494 NZ LYS A 33 14.360 -14.441 2.795 1.00 0.00 N ATOM 0 H LYS A 33 10.494 -12.214 0.309 1.00 0.00 H new ATOM 0 HA LYS A 33 12.075 -12.294 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.634 -14.368 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.716 -14.541 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.739 -12.265 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.013 -12.847 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.757 -14.656 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.467 -13.538 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.317 -15.549 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.030 -15.904 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.444 -15.167 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.185 -13.809 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.493 -13.888 2.950 1.00 0.00 H new ATOM 508 N ASP A 34 10.780 -14.355 -3.222 1.00 0.00 N ATOM 509 CA ASP A 34 9.849 -15.123 -4.041 1.00 0.00 C ATOM 510 C ASP A 34 8.788 -15.794 -3.174 1.00 0.00 C ATOM 511 O ASP A 34 7.591 -15.675 -3.436 1.00 0.00 O ATOM 512 CB ASP A 34 10.602 -16.176 -4.855 1.00 0.00 C ATOM 513 CG ASP A 34 11.574 -15.560 -5.841 1.00 0.00 C ATOM 514 OD1 ASP A 34 11.127 -14.774 -6.702 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.782 -15.864 -5.753 1.00 0.00 O ATOM 0 H ASP A 34 11.762 -14.483 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 34 9.351 -14.435 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.145 -16.835 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.885 -16.795 -5.395 1.00 0.00 H new ATOM 520 N ASP A 35 9.236 -16.500 -2.142 1.00 0.00 N ATOM 521 CA ASP A 35 8.326 -17.191 -1.236 1.00 0.00 C ATOM 522 C ASP A 35 7.228 -16.251 -0.748 1.00 0.00 C ATOM 523 O ASP A 35 6.047 -16.598 -0.766 1.00 0.00 O ATOM 524 CB ASP A 35 9.094 -17.760 -0.042 1.00 0.00 C ATOM 525 CG ASP A 35 8.445 -19.008 0.523 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.960 -19.838 -0.275 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.422 -19.155 1.762 1.00 0.00 O ATOM 0 H ASP A 35 10.224 -16.609 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 35 7.862 -18.011 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.115 -17.991 -0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.159 -17.002 0.739 1.00 0.00 H new ATOM 532 N GLU A 36 7.626 -15.060 -0.311 1.00 0.00 N ATOM 533 CA GLU A 36 6.675 -14.072 0.184 1.00 0.00 C ATOM 534 C GLU A 36 5.735 -13.617 -0.928 1.00 0.00 C ATOM 535 O GLU A 36 4.514 -13.634 -0.770 1.00 0.00 O ATOM 536 CB GLU A 36 7.415 -12.866 0.766 1.00 0.00 C ATOM 537 CG GLU A 36 8.224 -13.191 2.011 1.00 0.00 C ATOM 538 CD GLU A 36 7.398 -13.878 3.080 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.554 -13.200 3.704 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.594 -15.092 3.294 1.00 0.00 O ATOM 0 H GLU A 36 8.600 -14.756 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 36 6.081 -14.539 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.081 -12.458 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.691 -12.087 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.063 -13.831 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.644 -12.271 2.417 1.00 0.00 H new ATOM 547 N PHE A 37 6.313 -13.209 -2.053 1.00 0.00 N ATOM 548 CA PHE A 37 5.528 -12.748 -3.192 1.00 0.00 C ATOM 549 C PHE A 37 4.404 -13.730 -3.513 1.00 0.00 C ATOM 550 O PHE A 37 3.297 -13.327 -3.866 1.00 0.00 O ATOM 551 CB PHE A 37 6.426 -12.566 -4.418 1.00 0.00 C ATOM 552 CG PHE A 37 7.046 -11.201 -4.509 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.389 -10.168 -5.157 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.287 -10.951 -3.945 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.958 -8.912 -5.243 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.861 -9.696 -4.027 1.00 0.00 C ATOM 557 CZ PHE A 37 8.195 -8.675 -4.676 1.00 0.00 C ATOM 0 H PHE A 37 7.322 -13.188 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 37 5.084 -11.788 -2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.218 -13.315 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.840 -12.751 -5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.420 -10.347 -5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.812 -11.746 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.436 -8.116 -5.753 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.829 -9.514 -3.584 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.640 -7.693 -4.740 1.00 0.00 H new ATOM 567 N GLU A 38 4.700 -15.020 -3.386 1.00 0.00 N ATOM 568 CA GLU A 38 3.716 -16.059 -3.663 1.00 0.00 C ATOM 569 C GLU A 38 2.476 -15.880 -2.793 1.00 0.00 C ATOM 570 O GLU A 38 1.348 -16.026 -3.264 1.00 0.00 O ATOM 571 CB GLU A 38 4.323 -17.444 -3.426 1.00 0.00 C ATOM 572 CG GLU A 38 5.303 -17.871 -4.506 1.00 0.00 C ATOM 573 CD GLU A 38 4.662 -17.951 -5.878 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.454 -18.257 -5.952 1.00 0.00 O ATOM 575 OE2 GLU A 38 5.370 -17.706 -6.877 1.00 0.00 O ATOM 0 H GLU A 38 5.612 -15.370 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 38 3.420 -15.974 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.832 -17.448 -2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.520 -18.178 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.133 -17.165 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.721 -18.844 -4.247 1.00 0.00 H new ATOM 582 N GLN A 39 2.694 -15.564 -1.520 1.00 0.00 N ATOM 583 CA GLN A 39 1.594 -15.366 -0.584 1.00 0.00 C ATOM 584 C GLN A 39 0.580 -14.370 -1.137 1.00 0.00 C ATOM 585 O GLN A 39 -0.625 -14.628 -1.136 1.00 0.00 O ATOM 586 CB GLN A 39 2.126 -14.875 0.764 1.00 0.00 C ATOM 587 CG GLN A 39 3.080 -15.851 1.433 1.00 0.00 C ATOM 588 CD GLN A 39 3.069 -15.735 2.944 1.00 0.00 C ATOM 589 OE1 GLN A 39 2.042 -15.954 3.588 1.00 0.00 O ATOM 590 NE2 GLN A 39 4.214 -15.388 3.521 1.00 0.00 N ATOM 0 H GLN A 39 3.621 -15.440 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 39 1.094 -16.324 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.636 -13.923 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.284 -14.687 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.811 -16.868 1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.091 -15.674 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.041 -15.216 2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.266 -15.294 4.535 1.00 0.00 H new ATOM 599 N LEU A 40 1.074 -13.231 -1.609 1.00 0.00 N ATOM 600 CA LEU A 40 0.211 -12.194 -2.166 1.00 0.00 C ATOM 601 C LEU A 40 -0.310 -12.600 -3.541 1.00 0.00 C ATOM 602 O LEU A 40 -1.472 -12.365 -3.869 1.00 0.00 O ATOM 603 CB LEU A 40 0.971 -10.870 -2.266 1.00 0.00 C ATOM 604 CG LEU A 40 1.475 -10.284 -0.947 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.746 -9.480 -1.171 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.402 -9.419 -0.303 1.00 0.00 C ATOM 0 H LEU A 40 2.068 -13.001 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.641 -12.067 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.826 -11.014 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.321 -10.136 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 40 1.705 -11.107 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.090 -9.071 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.517 -10.128 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.543 -8.665 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.778 -9.010 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.141 -8.602 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.483 -10.024 -0.106 1.00 0.00 H new ATOM 618 N SER A 41 0.558 -13.213 -4.339 1.00 0.00 N ATOM 619 CA SER A 41 0.186 -13.651 -5.680 1.00 0.00 C ATOM 620 C SER A 41 -0.953 -14.665 -5.623 1.00 0.00 C ATOM 621 O SER A 41 -1.795 -14.719 -6.518 1.00 0.00 O ATOM 622 CB SER A 41 1.393 -14.262 -6.393 1.00 0.00 C ATOM 623 OG SER A 41 1.468 -15.659 -6.164 1.00 0.00 O ATOM 0 H SER A 41 1.523 -13.418 -4.081 1.00 0.00 H new ATOM 0 HA SER A 41 -0.154 -12.779 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.323 -14.069 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.307 -13.783 -6.042 1.00 0.00 H new ATOM 0 HG SER A 41 1.433 -15.835 -5.201 1.00 0.00 H new ATOM 629 N ASN A 42 -0.970 -15.468 -4.564 1.00 0.00 N ATOM 630 CA ASN A 42 -2.004 -16.482 -4.390 1.00 0.00 C ATOM 631 C ASN A 42 -3.295 -15.858 -3.868 1.00 0.00 C ATOM 632 O ASN A 42 -4.393 -16.280 -4.233 1.00 0.00 O ATOM 633 CB ASN A 42 -1.524 -17.569 -3.427 1.00 0.00 C ATOM 634 CG ASN A 42 -0.714 -18.644 -4.126 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.268 -19.539 -4.764 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.606 -18.560 -4.008 1.00 0.00 N ATOM 0 H ASN A 42 -0.280 -15.436 -3.814 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.206 -16.931 -5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.919 -17.114 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.386 -18.026 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.203 -19.255 -4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.023 -17.801 -3.469 1.00 0.00 H new ATOM 643 N LEU A 43 -3.155 -14.851 -3.013 1.00 0.00 N ATOM 644 CA LEU A 43 -4.309 -14.167 -2.441 1.00 0.00 C ATOM 645 C LEU A 43 -5.049 -13.363 -3.505 1.00 0.00 C ATOM 646 O LEU A 43 -6.236 -13.584 -3.752 1.00 0.00 O ATOM 647 CB LEU A 43 -3.868 -13.244 -1.303 1.00 0.00 C ATOM 648 CG LEU A 43 -4.865 -12.159 -0.895 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.164 -12.782 -0.409 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.266 -11.262 0.179 1.00 0.00 C ATOM 0 H LEU A 43 -2.254 -14.490 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.988 -14.922 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.650 -13.857 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.935 -12.761 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.086 -11.547 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.861 -11.994 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.601 -13.381 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.962 -13.418 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.989 -10.495 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.016 -11.860 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.363 -10.787 -0.206 1.00 0.00 H new ATOM 662 N LEU A 44 -4.341 -12.432 -4.135 1.00 0.00 N ATOM 663 CA LEU A 44 -4.929 -11.596 -5.175 1.00 0.00 C ATOM 664 C LEU A 44 -5.045 -12.363 -6.489 1.00 0.00 C ATOM 665 O LEU A 44 -5.629 -11.873 -7.455 1.00 0.00 O ATOM 666 CB LEU A 44 -4.088 -10.335 -5.380 1.00 0.00 C ATOM 667 CG LEU A 44 -3.767 -9.531 -4.120 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.663 -8.522 -4.398 1.00 0.00 C ATOM 669 CD2 LEU A 44 -5.014 -8.830 -3.602 1.00 0.00 C ATOM 0 H LEU A 44 -3.358 -12.237 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.930 -11.309 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.149 -10.622 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.611 -9.683 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.417 -10.220 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.448 -7.959 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.764 -9.046 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.985 -7.837 -5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.766 -8.263 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.394 -8.152 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.776 -9.572 -3.363 1.00 0.00 H new ATOM 681 N ASN A 45 -4.487 -13.569 -6.516 1.00 0.00 N ATOM 682 CA ASN A 45 -4.530 -14.404 -7.710 1.00 0.00 C ATOM 683 C ASN A 45 -3.867 -13.700 -8.890 1.00 0.00 C ATOM 684 O ASN A 45 -4.268 -13.882 -10.041 1.00 0.00 O ATOM 685 CB ASN A 45 -5.977 -14.758 -8.059 1.00 0.00 C ATOM 686 CG ASN A 45 -6.437 -16.038 -7.389 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.358 -16.176 -6.168 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.921 -16.983 -8.187 1.00 0.00 N ATOM 0 H ASN A 45 -4.000 -13.989 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.980 -15.321 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.631 -13.939 -7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.072 -14.862 -9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.246 -17.866 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.968 -16.826 -9.194 1.00 0.00 H new ATOM 695 N LEU A 46 -2.851 -12.896 -8.598 1.00 0.00 N ATOM 696 CA LEU A 46 -2.132 -12.164 -9.634 1.00 0.00 C ATOM 697 C LEU A 46 -0.726 -12.726 -9.822 1.00 0.00 C ATOM 698 O LEU A 46 -0.133 -13.299 -8.907 1.00 0.00 O ATOM 699 CB LEU A 46 -2.056 -10.678 -9.278 1.00 0.00 C ATOM 700 CG LEU A 46 -3.394 -9.947 -9.162 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.205 -8.590 -8.503 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.038 -9.793 -10.532 1.00 0.00 C ATOM 0 H LEU A 46 -2.506 -12.734 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.678 -12.279 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.527 -10.578 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.454 -10.174 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.059 -10.542 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.168 -8.084 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.788 -8.725 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.523 -7.986 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.989 -9.271 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.377 -9.220 -11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.210 -10.778 -10.966 1.00 0.00 H new ATOM 714 N PRO A 47 -0.177 -12.557 -11.034 1.00 0.00 N ATOM 715 CA PRO A 47 1.166 -13.037 -11.369 1.00 0.00 C ATOM 716 C PRO A 47 2.259 -12.247 -10.656 1.00 0.00 C ATOM 717 O PRO A 47 2.285 -11.017 -10.708 1.00 0.00 O ATOM 718 CB PRO A 47 1.253 -12.823 -12.882 1.00 0.00 C ATOM 719 CG PRO A 47 0.291 -11.722 -13.164 1.00 0.00 C ATOM 720 CD PRO A 47 -0.827 -11.882 -12.171 1.00 0.00 C ATOM 0 HA PRO A 47 1.317 -14.072 -11.062 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.264 -12.553 -13.186 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.988 -13.730 -13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.770 -10.749 -13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.083 -11.783 -14.186 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.248 -10.919 -11.880 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.644 -12.477 -12.578 1.00 0.00 H new ATOM 728 N THR A 48 3.161 -12.962 -9.990 1.00 0.00 N ATOM 729 CA THR A 48 4.255 -12.328 -9.266 1.00 0.00 C ATOM 730 C THR A 48 4.872 -11.197 -10.082 1.00 0.00 C ATOM 731 O THR A 48 5.178 -10.130 -9.549 1.00 0.00 O ATOM 732 CB THR A 48 5.355 -13.345 -8.906 1.00 0.00 C ATOM 733 OG1 THR A 48 5.489 -14.312 -9.954 1.00 0.00 O ATOM 734 CG2 THR A 48 5.033 -14.049 -7.597 1.00 0.00 C ATOM 0 H THR A 48 3.155 -13.981 -9.937 1.00 0.00 H new ATOM 0 HA THR A 48 3.832 -11.921 -8.347 1.00 0.00 H new ATOM 0 HB THR A 48 6.295 -12.805 -8.788 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.191 -14.954 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.824 -14.762 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.960 -13.313 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.084 -14.577 -7.692 1.00 0.00 H new ATOM 742 N ARG A 49 5.050 -11.437 -11.377 1.00 0.00 N ATOM 743 CA ARG A 49 5.631 -10.438 -12.266 1.00 0.00 C ATOM 744 C ARG A 49 4.917 -9.098 -12.117 1.00 0.00 C ATOM 745 O ARG A 49 5.546 -8.040 -12.156 1.00 0.00 O ATOM 746 CB ARG A 49 5.553 -10.911 -13.719 1.00 0.00 C ATOM 747 CG ARG A 49 4.192 -10.692 -14.359 1.00 0.00 C ATOM 748 CD ARG A 49 4.062 -9.286 -14.923 1.00 0.00 C ATOM 749 NE ARG A 49 3.087 -9.220 -16.008 1.00 0.00 N ATOM 750 CZ ARG A 49 3.373 -9.508 -17.272 1.00 0.00 C ATOM 751 NH1 ARG A 49 4.600 -9.881 -17.609 1.00 0.00 N ATOM 752 NH2 ARG A 49 2.431 -9.424 -18.203 1.00 0.00 N ATOM 0 H ARG A 49 4.800 -12.314 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 49 6.677 -10.306 -11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.309 -10.387 -14.304 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.798 -11.972 -13.760 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.042 -11.420 -15.156 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.409 -10.863 -13.620 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.766 -8.602 -14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.033 -8.950 -15.287 1.00 0.00 H new ATOM 0 HE ARG A 49 2.133 -8.937 -15.782 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.327 -9.947 -16.896 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.817 -10.102 -18.581 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.486 -9.138 -17.948 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.652 -9.646 -19.174 1.00 0.00 H new ATOM 766 N VAL A 50 3.600 -9.150 -11.948 1.00 0.00 N ATOM 767 CA VAL A 50 2.800 -7.940 -11.793 1.00 0.00 C ATOM 768 C VAL A 50 3.017 -7.310 -10.422 1.00 0.00 C ATOM 769 O VAL A 50 3.051 -6.086 -10.289 1.00 0.00 O ATOM 770 CB VAL A 50 1.299 -8.232 -11.980 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.459 -7.117 -11.375 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.972 -8.417 -13.454 1.00 0.00 C ATOM 0 H VAL A 50 3.064 -10.017 -11.915 1.00 0.00 H new ATOM 0 HA VAL A 50 3.126 -7.244 -12.565 1.00 0.00 H new ATOM 0 HB VAL A 50 1.059 -9.159 -11.459 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.598 -7.340 -11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.674 -7.037 -10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.699 -6.174 -11.865 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.092 -8.622 -13.568 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.226 -7.509 -14.000 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.547 -9.253 -13.852 1.00 0.00 H new ATOM 782 N ILE A 51 3.165 -8.153 -9.406 1.00 0.00 N ATOM 783 CA ILE A 51 3.380 -7.678 -8.045 1.00 0.00 C ATOM 784 C ILE A 51 4.783 -7.104 -7.879 1.00 0.00 C ATOM 785 O ILE A 51 4.998 -6.176 -7.099 1.00 0.00 O ATOM 786 CB ILE A 51 3.174 -8.805 -7.016 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.874 -9.558 -7.306 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.161 -8.237 -5.604 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.690 -10.795 -6.454 1.00 0.00 C ATOM 0 H ILE A 51 3.140 -9.168 -9.500 1.00 0.00 H new ATOM 0 HA ILE A 51 2.645 -6.894 -7.865 1.00 0.00 H new ATOM 0 HB ILE A 51 4.004 -9.507 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.031 -8.887 -7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.856 -9.845 -8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.015 -9.046 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.111 -7.741 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.348 -7.517 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.748 -11.278 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.514 -11.486 -6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.675 -10.513 -5.401 1.00 0.00 H new ATOM 801 N VAL A 52 5.736 -7.661 -8.620 1.00 0.00 N ATOM 802 CA VAL A 52 7.119 -7.202 -8.558 1.00 0.00 C ATOM 803 C VAL A 52 7.260 -5.799 -9.137 1.00 0.00 C ATOM 804 O VAL A 52 7.756 -4.889 -8.473 1.00 0.00 O ATOM 805 CB VAL A 52 8.061 -8.156 -9.316 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.457 -7.561 -9.415 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.099 -9.517 -8.639 1.00 0.00 C ATOM 0 H VAL A 52 5.576 -8.431 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 52 7.400 -7.186 -7.505 1.00 0.00 H new ATOM 0 HB VAL A 52 7.677 -8.290 -10.327 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.108 -8.249 -9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.411 -6.612 -9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.854 -7.395 -8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.769 -10.178 -9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.458 -9.405 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.097 -9.945 -8.627 1.00 0.00 H new ATOM 817 N VAL A 53 6.819 -5.631 -10.379 1.00 0.00 N ATOM 818 CA VAL A 53 6.894 -4.338 -11.049 1.00 0.00 C ATOM 819 C VAL A 53 6.224 -3.249 -10.217 1.00 0.00 C ATOM 820 O VAL A 53 6.707 -2.119 -10.151 1.00 0.00 O ATOM 821 CB VAL A 53 6.233 -4.386 -12.439 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.244 -3.009 -13.084 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.933 -5.405 -13.326 1.00 0.00 C ATOM 0 H VAL A 53 6.406 -6.374 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 53 7.952 -4.103 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 53 5.195 -4.695 -12.318 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.773 -3.063 -14.065 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.694 -2.308 -12.456 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.273 -2.667 -13.194 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.453 -5.426 -14.305 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.981 -5.128 -13.442 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.867 -6.392 -12.868 1.00 0.00 H new ATOM 833 N TRP A 54 5.110 -3.598 -9.585 1.00 0.00 N ATOM 834 CA TRP A 54 4.373 -2.650 -8.757 1.00 0.00 C ATOM 835 C TRP A 54 5.161 -2.298 -7.500 1.00 0.00 C ATOM 836 O TRP A 54 5.258 -1.130 -7.123 1.00 0.00 O ATOM 837 CB TRP A 54 3.010 -3.228 -8.373 1.00 0.00 C ATOM 838 CG TRP A 54 2.159 -2.274 -7.591 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.088 -1.562 -8.053 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.308 -1.926 -6.210 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.564 -0.793 -7.042 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.293 -0.999 -5.901 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.199 -2.310 -5.204 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.148 -0.451 -4.630 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.053 -1.764 -3.942 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.034 -0.844 -3.664 1.00 0.00 C ATOM 0 H TRP A 54 4.697 -4.530 -9.630 1.00 0.00 H new ATOM 0 HA TRP A 54 4.223 -1.739 -9.337 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.478 -3.519 -9.279 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.160 -4.134 -7.787 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.709 -1.598 -9.064 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.239 -0.169 -7.127 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.987 -3.020 -5.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.364 0.259 -4.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.737 -2.052 -3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.946 -0.437 -2.668 1.00 0.00 H new ATOM 857 N PHE A 55 5.723 -3.314 -6.855 1.00 0.00 N ATOM 858 CA PHE A 55 6.503 -3.112 -5.639 1.00 0.00 C ATOM 859 C PHE A 55 7.776 -2.324 -5.935 1.00 0.00 C ATOM 860 O PHE A 55 8.183 -1.467 -5.151 1.00 0.00 O ATOM 861 CB PHE A 55 6.858 -4.458 -5.005 1.00 0.00 C ATOM 862 CG PHE A 55 5.849 -4.932 -3.999 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.536 -5.166 -4.373 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.214 -5.144 -2.679 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.604 -5.603 -3.450 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.287 -5.581 -1.752 1.00 0.00 C ATOM 867 CZ PHE A 55 3.981 -5.809 -2.137 1.00 0.00 C ATOM 0 H PHE A 55 5.653 -4.287 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 55 5.896 -2.538 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.954 -5.207 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.831 -4.377 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.237 -5.005 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.234 -4.966 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.584 -5.783 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.584 -5.744 -0.727 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.255 -6.148 -1.413 1.00 0.00 H new ATOM 877 N GLN A 56 8.398 -2.621 -7.070 1.00 0.00 N ATOM 878 CA GLN A 56 9.626 -1.942 -7.469 1.00 0.00 C ATOM 879 C GLN A 56 9.403 -0.437 -7.581 1.00 0.00 C ATOM 880 O GLN A 56 10.197 0.356 -7.077 1.00 0.00 O ATOM 881 CB GLN A 56 10.130 -2.496 -8.803 1.00 0.00 C ATOM 882 CG GLN A 56 10.919 -3.788 -8.666 1.00 0.00 C ATOM 883 CD GLN A 56 11.975 -3.943 -9.743 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.632 -2.976 -10.129 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.144 -5.165 -10.234 1.00 0.00 N ATOM 0 H GLN A 56 8.073 -3.327 -7.730 1.00 0.00 H new ATOM 0 HA GLN A 56 10.378 -2.124 -6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.278 -2.668 -9.460 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.758 -1.746 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.397 -3.815 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.234 -4.634 -8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.577 -5.938 -9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.841 -5.331 -10.960 1.00 0.00 H new ATOM 894 N ASN A 57 8.318 -0.052 -8.245 1.00 0.00 N ATOM 895 CA ASN A 57 7.992 1.358 -8.424 1.00 0.00 C ATOM 896 C ASN A 57 7.728 2.030 -7.080 1.00 0.00 C ATOM 897 O ASN A 57 8.368 3.023 -6.735 1.00 0.00 O ATOM 898 CB ASN A 57 6.769 1.509 -9.331 1.00 0.00 C ATOM 899 CG ASN A 57 7.100 1.272 -10.792 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.762 2.090 -11.430 1.00 0.00 O ATOM 901 ND2 ASN A 57 6.639 0.148 -11.328 1.00 0.00 N ATOM 0 H ASN A 57 7.650 -0.696 -8.668 1.00 0.00 H new ATOM 0 HA ASN A 57 8.846 1.846 -8.893 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.998 0.805 -9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.354 2.510 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.830 -0.066 -12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.094 -0.501 -10.761 1.00 0.00 H new ATOM 908 N ALA A 58 6.782 1.481 -6.326 1.00 0.00 N ATOM 909 CA ALA A 58 6.435 2.025 -5.019 1.00 0.00 C ATOM 910 C ALA A 58 7.681 2.467 -4.259 1.00 0.00 C ATOM 911 O ALA A 58 7.624 3.370 -3.426 1.00 0.00 O ATOM 912 CB ALA A 58 5.657 0.998 -4.209 1.00 0.00 C ATOM 0 H ALA A 58 6.242 0.660 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 58 5.806 2.902 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.405 1.418 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.742 0.734 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.267 0.105 -4.072 1.00 0.00 H new ATOM 918 N ARG A 59 8.806 1.823 -4.553 1.00 0.00 N ATOM 919 CA ARG A 59 10.067 2.148 -3.896 1.00 0.00 C ATOM 920 C ARG A 59 10.663 3.430 -4.469 1.00 0.00 C ATOM 921 O ARG A 59 11.124 4.297 -3.726 1.00 0.00 O ATOM 922 CB ARG A 59 11.061 0.996 -4.054 1.00 0.00 C ATOM 923 CG ARG A 59 10.711 -0.229 -3.224 1.00 0.00 C ATOM 924 CD ARG A 59 11.805 -1.282 -3.296 1.00 0.00 C ATOM 925 NE ARG A 59 13.139 -0.685 -3.313 1.00 0.00 N ATOM 926 CZ ARG A 59 13.738 -0.257 -4.418 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.126 -0.359 -5.590 1.00 0.00 N ATOM 928 NH2 ARG A 59 14.952 0.274 -4.353 1.00 0.00 N ATOM 0 H ARG A 59 8.870 1.073 -5.242 1.00 0.00 H new ATOM 0 HA ARG A 59 9.866 2.303 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.109 0.711 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.055 1.344 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.556 0.066 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.772 -0.654 -3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.719 -1.953 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.667 -1.887 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 59 13.637 -0.592 -2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.193 -0.767 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.589 -0.029 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.426 0.354 -3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.411 0.602 -5.203 1.00 0.00 H new ATOM 942 N GLN A 60 10.650 3.543 -5.793 1.00 0.00 N ATOM 943 CA GLN A 60 11.191 4.719 -6.464 1.00 0.00 C ATOM 944 C GLN A 60 10.313 5.941 -6.214 1.00 0.00 C ATOM 945 O GLN A 60 10.806 7.066 -6.132 1.00 0.00 O ATOM 946 CB GLN A 60 11.312 4.463 -7.968 1.00 0.00 C ATOM 947 CG GLN A 60 9.997 4.604 -8.717 1.00 0.00 C ATOM 948 CD GLN A 60 10.191 4.760 -10.212 1.00 0.00 C ATOM 949 OE1 GLN A 60 10.900 3.976 -10.843 1.00 0.00 O ATOM 950 NE2 GLN A 60 9.560 5.777 -10.788 1.00 0.00 N ATOM 0 H GLN A 60 10.271 2.835 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 60 12.182 4.916 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.037 5.159 -8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.705 3.459 -8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.378 3.728 -8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.455 5.468 -8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.982 6.403 -10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.653 5.932 -11.792 1.00 0.00 H new ATOM 959 N LYS A 61 9.010 5.712 -6.093 1.00 0.00 N ATOM 960 CA LYS A 61 8.062 6.793 -5.850 1.00 0.00 C ATOM 961 C LYS A 61 7.910 7.058 -4.356 1.00 0.00 C ATOM 962 O LYS A 61 7.554 8.162 -3.945 1.00 0.00 O ATOM 963 CB LYS A 61 6.701 6.451 -6.459 1.00 0.00 C ATOM 964 CG LYS A 61 6.717 6.367 -7.976 1.00 0.00 C ATOM 965 CD LYS A 61 5.380 5.894 -8.522 1.00 0.00 C ATOM 966 CE LYS A 61 4.319 6.978 -8.415 1.00 0.00 C ATOM 967 NZ LYS A 61 4.324 7.879 -9.601 1.00 0.00 N ATOM 0 H LYS A 61 8.586 4.787 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 61 8.449 7.695 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.360 5.498 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.976 7.205 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.956 7.345 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.504 5.684 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.496 5.598 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.055 5.010 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.337 6.516 -8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.489 7.565 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.587 8.604 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.253 8.340 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.136 7.323 -10.460 1.00 0.00 H new ATOM 981 N ALA A 62 8.184 6.039 -3.548 1.00 0.00 N ATOM 982 CA ALA A 62 8.080 6.164 -2.099 1.00 0.00 C ATOM 983 C ALA A 62 8.991 7.270 -1.577 1.00 0.00 C ATOM 984 O ALA A 62 8.613 8.029 -0.684 1.00 0.00 O ATOM 985 CB ALA A 62 8.418 4.840 -1.430 1.00 0.00 C ATOM 0 H ALA A 62 8.480 5.118 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 62 7.052 6.430 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.336 4.948 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.724 4.072 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.436 4.550 -1.690 1.00 0.00 H new ATOM 991 N ARG A 63 10.192 7.356 -2.139 1.00 0.00 N ATOM 992 CA ARG A 63 11.157 8.369 -1.729 1.00 0.00 C ATOM 993 C ARG A 63 10.495 9.739 -1.621 1.00 0.00 C ATOM 994 O ARG A 63 10.072 10.317 -2.623 1.00 0.00 O ATOM 995 CB ARG A 63 12.320 8.429 -2.722 1.00 0.00 C ATOM 996 CG ARG A 63 13.141 7.151 -2.776 1.00 0.00 C ATOM 997 CD ARG A 63 14.363 7.311 -3.666 1.00 0.00 C ATOM 998 NE ARG A 63 15.239 8.384 -3.204 1.00 0.00 N ATOM 999 CZ ARG A 63 15.071 9.662 -3.528 1.00 0.00 C ATOM 1000 NH1 ARG A 63 14.065 10.023 -4.311 1.00 0.00 N ATOM 1001 NH2 ARG A 63 15.911 10.580 -3.068 1.00 0.00 N ATOM 0 H ARG A 63 10.520 6.736 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 63 11.541 8.092 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.927 8.641 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.973 9.259 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.456 6.877 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.522 6.335 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.919 6.374 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.043 7.518 -4.687 1.00 0.00 H new ATOM 0 HE ARG A 63 16.023 8.139 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.418 9.320 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.938 11.004 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.687 10.305 -2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.781 11.561 -3.317 1.00 0.00 H new ATOM 1015 N LYS A 64 10.408 10.255 -0.400 1.00 0.00 N ATOM 1016 CA LYS A 64 9.799 11.557 -0.160 1.00 0.00 C ATOM 1017 C LYS A 64 10.653 12.675 -0.750 1.00 0.00 C ATOM 1018 O LYS A 64 11.540 13.208 -0.084 1.00 0.00 O ATOM 1019 CB LYS A 64 9.607 11.785 1.341 1.00 0.00 C ATOM 1020 CG LYS A 64 8.442 11.009 1.931 1.00 0.00 C ATOM 1021 CD LYS A 64 8.082 11.513 3.318 1.00 0.00 C ATOM 1022 CE LYS A 64 9.026 10.961 4.375 1.00 0.00 C ATOM 1023 NZ LYS A 64 8.741 11.527 5.723 1.00 0.00 N ATOM 0 H LYS A 64 10.752 9.790 0.440 1.00 0.00 H new ATOM 0 HA LYS A 64 8.826 11.570 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.522 11.503 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.452 12.849 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.576 11.096 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.697 9.951 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.117 12.602 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.058 11.224 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.936 9.875 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.055 11.187 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.405 11.126 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.851 12.561 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.767 11.290 6.000 1.00 0.00 H new ATOM 1037 N SER A 65 10.378 13.025 -2.002 1.00 0.00 N ATOM 1038 CA SER A 65 11.123 14.078 -2.682 1.00 0.00 C ATOM 1039 C SER A 65 10.634 15.457 -2.248 1.00 0.00 C ATOM 1040 O SER A 65 9.540 15.884 -2.615 1.00 0.00 O ATOM 1041 CB SER A 65 10.987 13.931 -4.199 1.00 0.00 C ATOM 1042 OG SER A 65 9.630 14.011 -4.599 1.00 0.00 O ATOM 0 H SER A 65 9.645 12.595 -2.566 1.00 0.00 H new ATOM 0 HA SER A 65 12.173 13.981 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.563 14.712 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.407 12.976 -4.514 1.00 0.00 H new ATOM 0 HG SER A 65 9.169 14.686 -4.059 1.00 0.00 H new ATOM 1048 N GLY A 66 11.454 16.149 -1.463 1.00 0.00 N ATOM 1049 CA GLY A 66 11.089 17.472 -0.991 1.00 0.00 C ATOM 1050 C GLY A 66 10.077 17.426 0.136 1.00 0.00 C ATOM 1051 O GLY A 66 9.719 16.359 0.635 1.00 0.00 O ATOM 0 H GLY A 66 12.365 15.817 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.984 17.993 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.680 18.050 -1.820 1.00 0.00 H new ATOM 1055 N PRO A 67 9.599 18.607 0.556 1.00 0.00 N ATOM 1056 CA PRO A 67 8.616 18.724 1.637 1.00 0.00 C ATOM 1057 C PRO A 67 7.242 18.202 1.230 1.00 0.00 C ATOM 1058 O PRO A 67 6.495 18.878 0.523 1.00 0.00 O ATOM 1059 CB PRO A 67 8.558 20.231 1.902 1.00 0.00 C ATOM 1060 CG PRO A 67 8.978 20.858 0.618 1.00 0.00 C ATOM 1061 CD PRO A 67 9.981 19.919 0.007 1.00 0.00 C ATOM 0 HA PRO A 67 8.897 18.134 2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.553 20.545 2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.223 20.515 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.124 21.001 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.417 21.841 0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.930 19.929 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.001 20.187 0.281 1.00 0.00 H new ATOM 1069 N SER A 68 6.915 16.996 1.682 1.00 0.00 N ATOM 1070 CA SER A 68 5.632 16.381 1.363 1.00 0.00 C ATOM 1071 C SER A 68 5.369 15.175 2.258 1.00 0.00 C ATOM 1072 O SER A 68 6.138 14.213 2.265 1.00 0.00 O ATOM 1073 CB SER A 68 5.598 15.957 -0.107 1.00 0.00 C ATOM 1074 OG SER A 68 4.274 15.975 -0.612 1.00 0.00 O ATOM 0 H SER A 68 7.521 16.425 2.271 1.00 0.00 H new ATOM 0 HA SER A 68 4.850 17.119 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.225 16.626 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.016 14.956 -0.210 1.00 0.00 H new ATOM 0 HG SER A 68 4.279 15.702 -1.553 1.00 0.00 H new ATOM 1080 N SER A 69 4.277 15.233 3.014 1.00 0.00 N ATOM 1081 CA SER A 69 3.913 14.147 3.917 1.00 0.00 C ATOM 1082 C SER A 69 3.179 13.040 3.167 1.00 0.00 C ATOM 1083 O SER A 69 2.659 13.255 2.072 1.00 0.00 O ATOM 1084 CB SER A 69 3.038 14.675 5.056 1.00 0.00 C ATOM 1085 OG SER A 69 3.758 15.579 5.875 1.00 0.00 O ATOM 0 H SER A 69 3.629 16.021 3.019 1.00 0.00 H new ATOM 0 HA SER A 69 4.830 13.732 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.160 15.173 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.678 13.841 5.659 1.00 0.00 H new ATOM 0 HG SER A 69 3.176 15.903 6.594 1.00 0.00 H new ATOM 1091 N GLY A 70 3.140 11.853 3.765 1.00 0.00 N ATOM 1092 CA GLY A 70 2.468 10.729 3.141 1.00 0.00 C ATOM 1093 C GLY A 70 3.264 10.144 1.991 1.00 0.00 C ATOM 1094 O GLY A 70 3.173 10.619 0.859 1.00 0.00 O ATOM 0 H GLY A 70 3.562 11.650 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.292 9.955 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.492 11.049 2.777 1.00 0.00 H new TER 1098 GLY A 70