USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 930 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A -12 HIS : no HD1:sc= -0.0183 X(o=1.2,f=1.2) USER MOD Set 1.2: A -17 SER OG : rot -94:sc= 1.23 USER MOD Set 2.1: A 40 TYR OH : rot -175:sc= 0.389 USER MOD Set 2.2: A 92 ASN : amide:sc= -0.284 K(o=0.11,f=-1.7) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -153:sc= 1.14 (180deg=-0.196) USER MOD Set 3.2: A 18 GLN : amide:sc= -3.16! C(o=-2!,f=-7.3!) USER MOD Single : A 0 MET CE :methyl -134:sc= -1 (180deg=-4.09!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0.815 (180deg=0.609) USER MOD Single : A 5 THR OG1 : rot -93:sc= 1.32 USER MOD Single : A -1 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.043) USER MOD Single : A -2 SER OG : rot 180:sc= -0.185 USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00529 K(o=-0.0053,f=-0.85) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0015 (180deg=-0.166) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 24 MET CE :methyl -113:sc= -0.187 (180deg=-0.533) USER MOD Single : A 25 CYS SG : rot 17:sc= -1.52 USER MOD Single : A 33 ASN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 37 SER OG : rot -94:sc= 1 USER MOD Single : A 42 MET CE :methyl 180:sc= -2.06 (180deg=-2.06) USER MOD Single : A 48 THR OG1 : rot 57:sc= 1.5 USER MOD Single : A 55 THR OG1 : rot -30:sc= 1.21 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 94:sc= 0.0271 USER MOD Single : A 73 GLN : amide:sc= 0.00538 X(o=0.0054,f=-0.33) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 87 HIS : no HD1:sc= 0.125 K(o=0.12,f=-2.8!) USER MOD Single : A 97 THR OG1 : rot 109:sc= 1.09 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -16 HIS : no HD1:sc=-0.00325 X(o=-0.0033,f=0) USER MOD Single : A -18 SER OG : rot 180:sc= 0 USER MOD Single : A -20 MET CE :methyl -158:sc= -0.179 (180deg=-0.78) USER MOD Single : A -20 MET N :NH3+ 145:sc= 0.0331 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 60.067 32.713 -12.578 1.00 0.00 N ATOM 2 CA MET A -20 61.010 31.595 -12.348 1.00 0.00 C ATOM 3 C MET A -20 61.861 31.338 -13.578 1.00 0.00 C ATOM 4 O MET A -20 61.415 31.543 -14.707 1.00 0.00 O ATOM 5 CB MET A -20 60.257 30.313 -11.980 1.00 0.00 C ATOM 6 CG MET A -20 59.902 30.206 -10.508 1.00 0.00 C ATOM 7 SD MET A -20 61.361 30.091 -9.452 1.00 0.00 S ATOM 8 CE MET A -20 62.104 28.570 -10.047 1.00 0.00 C ATOM 0 H1 MET A -20 59.176 32.524 -12.077 1.00 0.00 H new ATOM 0 H2 MET A -20 60.483 33.597 -12.222 1.00 0.00 H new ATOM 0 H3 MET A -20 59.879 32.804 -13.597 1.00 0.00 H new ATOM 0 HA MET A -20 61.658 31.882 -11.520 1.00 0.00 H new ATOM 0 HB2 MET A -20 59.341 30.260 -12.569 1.00 0.00 H new ATOM 0 HB3 MET A -20 60.866 29.453 -12.260 1.00 0.00 H new ATOM 0 HG2 MET A -20 59.313 31.075 -10.215 1.00 0.00 H new ATOM 0 HG3 MET A -20 59.274 29.329 -10.352 1.00 0.00 H new ATOM 0 HE1 MET A -20 62.759 28.160 -9.278 1.00 0.00 H new ATOM 0 HE2 MET A -20 61.320 27.849 -10.279 1.00 0.00 H new ATOM 0 HE3 MET A -20 62.685 28.776 -10.946 1.00 0.00 H new ATOM 20 N GLY A -19 63.093 30.897 -13.354 1.00 0.00 N ATOM 21 CA GLY A -19 63.933 30.448 -14.446 1.00 0.00 C ATOM 22 C GLY A -19 63.519 29.068 -14.907 1.00 0.00 C ATOM 23 O GLY A -19 64.151 28.072 -14.557 1.00 0.00 O ATOM 0 H GLY A -19 63.526 30.843 -12.432 1.00 0.00 H new ATOM 0 HA2 GLY A -19 63.864 31.150 -15.277 1.00 0.00 H new ATOM 0 HA3 GLY A -19 64.975 30.433 -14.127 1.00 0.00 H new ATOM 27 N SER A -18 62.430 29.017 -15.664 1.00 0.00 N ATOM 28 CA SER A -18 61.843 27.762 -16.105 1.00 0.00 C ATOM 29 C SER A -18 62.832 26.930 -16.914 1.00 0.00 C ATOM 30 O SER A -18 63.209 27.294 -18.028 1.00 0.00 O ATOM 31 CB SER A -18 60.588 28.037 -16.930 1.00 0.00 C ATOM 32 OG SER A -18 59.668 28.835 -16.199 1.00 0.00 O ATOM 0 H SER A -18 61.931 29.845 -15.988 1.00 0.00 H new ATOM 0 HA SER A -18 61.577 27.187 -15.218 1.00 0.00 H new ATOM 0 HB2 SER A -18 60.860 28.544 -17.856 1.00 0.00 H new ATOM 0 HB3 SER A -18 60.117 27.094 -17.209 1.00 0.00 H new ATOM 0 HG SER A -18 58.872 29.001 -16.746 1.00 0.00 H new ATOM 38 N SER A -17 63.262 25.830 -16.325 1.00 0.00 N ATOM 39 CA SER A -17 64.117 24.883 -17.007 1.00 0.00 C ATOM 40 C SER A -17 63.259 23.925 -17.821 1.00 0.00 C ATOM 41 O SER A -17 62.245 23.424 -17.331 1.00 0.00 O ATOM 42 CB SER A -17 64.967 24.119 -15.989 1.00 0.00 C ATOM 43 OG SER A -17 65.774 23.137 -16.617 1.00 0.00 O ATOM 0 H SER A -17 63.029 25.571 -15.366 1.00 0.00 H new ATOM 0 HA SER A -17 64.789 25.414 -17.681 1.00 0.00 H new ATOM 0 HB2 SER A -17 65.601 24.819 -15.445 1.00 0.00 H new ATOM 0 HB3 SER A -17 64.317 23.642 -15.256 1.00 0.00 H new ATOM 0 HG SER A -17 65.307 22.276 -16.609 1.00 0.00 H new ATOM 49 N HIS A -16 63.648 23.692 -19.066 1.00 0.00 N ATOM 50 CA HIS A -16 62.902 22.794 -19.936 1.00 0.00 C ATOM 51 C HIS A -16 62.967 21.365 -19.414 1.00 0.00 C ATOM 52 O HIS A -16 61.965 20.653 -19.407 1.00 0.00 O ATOM 53 CB HIS A -16 63.428 22.864 -21.371 1.00 0.00 C ATOM 54 CG HIS A -16 63.181 24.184 -22.038 1.00 0.00 C ATOM 55 ND1 HIS A -16 63.698 24.510 -23.268 1.00 0.00 N ATOM 56 CD2 HIS A -16 62.468 25.262 -21.637 1.00 0.00 C ATOM 57 CE1 HIS A -16 63.315 25.726 -23.596 1.00 0.00 C ATOM 58 NE2 HIS A -16 62.567 26.209 -22.624 1.00 0.00 N ATOM 0 H HIS A -16 64.473 24.111 -19.496 1.00 0.00 H new ATOM 0 HA HIS A -16 61.860 23.114 -19.939 1.00 0.00 H new ATOM 0 HB2 HIS A -16 64.499 22.664 -21.366 1.00 0.00 H new ATOM 0 HB3 HIS A -16 62.959 22.076 -21.960 1.00 0.00 H new ATOM 0 HD2 HIS A -16 61.922 25.359 -20.710 1.00 0.00 H new ATOM 0 HE1 HIS A -16 63.571 26.242 -24.510 1.00 0.00 H new ATOM 0 HE2 HIS A -16 62.134 27.133 -22.609 1.00 0.00 H new ATOM 67 N HIS A -15 64.148 20.952 -18.971 1.00 0.00 N ATOM 68 CA HIS A -15 64.314 19.642 -18.358 1.00 0.00 C ATOM 69 C HIS A -15 64.182 19.744 -16.848 1.00 0.00 C ATOM 70 O HIS A -15 64.583 20.742 -16.244 1.00 0.00 O ATOM 71 CB HIS A -15 65.654 19.017 -18.744 1.00 0.00 C ATOM 72 CG HIS A -15 65.604 18.281 -20.048 1.00 0.00 C ATOM 73 ND1 HIS A -15 66.196 17.054 -20.241 1.00 0.00 N ATOM 74 CD2 HIS A -15 65.009 18.597 -21.224 1.00 0.00 C ATOM 75 CE1 HIS A -15 65.965 16.645 -21.474 1.00 0.00 C ATOM 76 NE2 HIS A -15 65.246 17.560 -22.094 1.00 0.00 N ATOM 0 H HIS A -15 65.003 21.505 -19.025 1.00 0.00 H new ATOM 0 HA HIS A -15 63.524 18.990 -18.732 1.00 0.00 H new ATOM 0 HB2 HIS A -15 66.410 19.800 -18.804 1.00 0.00 H new ATOM 0 HB3 HIS A -15 65.968 18.331 -17.958 1.00 0.00 H new ATOM 0 HD2 HIS A -15 64.452 19.497 -21.438 1.00 0.00 H new ATOM 0 HE1 HIS A -15 66.308 15.715 -21.904 1.00 0.00 H new ATOM 0 HE2 HIS A -15 64.920 17.507 -23.059 1.00 0.00 H new ATOM 85 N HIS A -14 63.622 18.706 -16.251 1.00 0.00 N ATOM 86 CA HIS A -14 63.260 18.717 -14.842 1.00 0.00 C ATOM 87 C HIS A -14 64.465 18.435 -13.945 1.00 0.00 C ATOM 88 O HIS A -14 64.747 19.191 -13.014 1.00 0.00 O ATOM 89 CB HIS A -14 62.159 17.678 -14.600 1.00 0.00 C ATOM 90 CG HIS A -14 61.576 17.704 -13.224 1.00 0.00 C ATOM 91 ND1 HIS A -14 61.707 16.664 -12.335 1.00 0.00 N ATOM 92 CD2 HIS A -14 60.825 18.639 -12.599 1.00 0.00 C ATOM 93 CE1 HIS A -14 61.062 16.953 -11.224 1.00 0.00 C ATOM 94 NE2 HIS A -14 60.517 18.149 -11.357 1.00 0.00 N ATOM 0 H HIS A -14 63.405 17.831 -16.728 1.00 0.00 H new ATOM 0 HA HIS A -14 62.895 19.712 -14.586 1.00 0.00 H new ATOM 0 HB2 HIS A -14 61.359 17.839 -15.323 1.00 0.00 H new ATOM 0 HB3 HIS A -14 62.566 16.685 -14.790 1.00 0.00 H new ATOM 0 HD2 HIS A -14 60.524 19.594 -13.003 1.00 0.00 H new ATOM 0 HE1 HIS A -14 60.991 16.320 -10.352 1.00 0.00 H new ATOM 0 HE2 HIS A -14 59.959 18.629 -10.651 1.00 0.00 H new ATOM 103 N HIS A -13 65.171 17.350 -14.228 1.00 0.00 N ATOM 104 CA HIS A -13 66.288 16.934 -13.389 1.00 0.00 C ATOM 105 C HIS A -13 67.590 16.977 -14.179 1.00 0.00 C ATOM 106 O HIS A -13 67.647 16.534 -15.325 1.00 0.00 O ATOM 107 CB HIS A -13 66.038 15.524 -12.844 1.00 0.00 C ATOM 108 CG HIS A -13 67.003 15.097 -11.778 1.00 0.00 C ATOM 109 ND1 HIS A -13 68.023 14.195 -12.000 1.00 0.00 N ATOM 110 CD2 HIS A -13 67.086 15.440 -10.469 1.00 0.00 C ATOM 111 CE1 HIS A -13 68.688 14.002 -10.878 1.00 0.00 C ATOM 112 NE2 HIS A -13 68.143 14.744 -9.936 1.00 0.00 N ATOM 0 H HIS A -13 64.992 16.743 -15.028 1.00 0.00 H new ATOM 0 HA HIS A -13 66.373 17.624 -12.549 1.00 0.00 H new ATOM 0 HB2 HIS A -13 65.026 15.476 -12.442 1.00 0.00 H new ATOM 0 HB3 HIS A -13 66.088 14.814 -13.669 1.00 0.00 H new ATOM 0 HD2 HIS A -13 66.442 16.130 -9.944 1.00 0.00 H new ATOM 0 HE1 HIS A -13 69.537 13.346 -10.752 1.00 0.00 H new ATOM 0 HE2 HIS A -13 68.456 14.794 -8.966 1.00 0.00 H new ATOM 121 N HIS A -12 68.633 17.511 -13.565 1.00 0.00 N ATOM 122 CA HIS A -12 69.922 17.635 -14.228 1.00 0.00 C ATOM 123 C HIS A -12 70.925 16.650 -13.644 1.00 0.00 C ATOM 124 O HIS A -12 70.777 16.198 -12.507 1.00 0.00 O ATOM 125 CB HIS A -12 70.463 19.061 -14.099 1.00 0.00 C ATOM 126 CG HIS A -12 69.665 20.086 -14.844 1.00 0.00 C ATOM 127 ND1 HIS A -12 68.581 20.733 -14.300 1.00 0.00 N ATOM 128 CD2 HIS A -12 69.810 20.585 -16.094 1.00 0.00 C ATOM 129 CE1 HIS A -12 68.092 21.585 -15.179 1.00 0.00 C ATOM 130 NE2 HIS A -12 68.820 21.518 -16.280 1.00 0.00 N ATOM 0 H HIS A -12 68.613 17.866 -12.609 1.00 0.00 H new ATOM 0 HA HIS A -12 69.778 17.407 -15.284 1.00 0.00 H new ATOM 0 HB2 HIS A -12 70.491 19.334 -13.044 1.00 0.00 H new ATOM 0 HB3 HIS A -12 71.491 19.083 -14.461 1.00 0.00 H new ATOM 0 HD2 HIS A -12 70.565 20.302 -16.812 1.00 0.00 H new ATOM 0 HE1 HIS A -12 67.239 22.230 -15.025 1.00 0.00 H new ATOM 0 HE2 HIS A -12 68.671 22.068 -17.126 1.00 0.00 H new ATOM 139 N HIS A -11 71.934 16.315 -14.427 1.00 0.00 N ATOM 140 CA HIS A -11 73.007 15.451 -13.963 1.00 0.00 C ATOM 141 C HIS A -11 74.326 15.893 -14.581 1.00 0.00 C ATOM 142 O HIS A -11 74.666 15.490 -15.693 1.00 0.00 O ATOM 143 CB HIS A -11 72.723 13.984 -14.312 1.00 0.00 C ATOM 144 CG HIS A -11 73.661 13.012 -13.658 1.00 0.00 C ATOM 145 ND1 HIS A -11 74.702 12.393 -14.320 1.00 0.00 N ATOM 146 CD2 HIS A -11 73.703 12.547 -12.387 1.00 0.00 C ATOM 147 CE1 HIS A -11 75.336 11.588 -13.486 1.00 0.00 C ATOM 148 NE2 HIS A -11 74.750 11.666 -12.309 1.00 0.00 N ATOM 0 H HIS A -11 72.034 16.629 -15.392 1.00 0.00 H new ATOM 0 HA HIS A -11 73.072 15.532 -12.878 1.00 0.00 H new ATOM 0 HB2 HIS A -11 71.702 13.742 -14.019 1.00 0.00 H new ATOM 0 HB3 HIS A -11 72.782 13.860 -15.393 1.00 0.00 H new ATOM 0 HD2 HIS A -11 73.035 12.820 -11.583 1.00 0.00 H new ATOM 0 HE1 HIS A -11 76.189 10.971 -13.728 1.00 0.00 H new ATOM 0 HE2 HIS A -11 75.030 11.153 -11.473 1.00 0.00 H new ATOM 157 N SER A -10 75.039 16.753 -13.878 1.00 0.00 N ATOM 158 CA SER A -10 76.321 17.245 -14.351 1.00 0.00 C ATOM 159 C SER A -10 77.414 16.212 -14.099 1.00 0.00 C ATOM 160 O SER A -10 77.413 15.533 -13.073 1.00 0.00 O ATOM 161 CB SER A -10 76.656 18.560 -13.650 1.00 0.00 C ATOM 162 OG SER A -10 75.566 19.468 -13.736 1.00 0.00 O ATOM 0 H SER A -10 74.751 17.127 -12.974 1.00 0.00 H new ATOM 0 HA SER A -10 76.261 17.421 -15.425 1.00 0.00 H new ATOM 0 HB2 SER A -10 76.895 18.369 -12.604 1.00 0.00 H new ATOM 0 HB3 SER A -10 77.542 19.004 -14.104 1.00 0.00 H new ATOM 0 HG SER A -10 75.799 20.303 -13.280 1.00 0.00 H new ATOM 168 N SER A -9 78.330 16.078 -15.044 1.00 0.00 N ATOM 169 CA SER A -9 79.418 15.127 -14.915 1.00 0.00 C ATOM 170 C SER A -9 80.734 15.845 -14.630 1.00 0.00 C ATOM 171 O SER A -9 80.915 17.003 -15.011 1.00 0.00 O ATOM 172 CB SER A -9 79.525 14.285 -16.187 1.00 0.00 C ATOM 173 OG SER A -9 78.338 13.538 -16.393 1.00 0.00 O ATOM 0 H SER A -9 78.340 16.617 -15.910 1.00 0.00 H new ATOM 0 HA SER A -9 79.209 14.467 -14.073 1.00 0.00 H new ATOM 0 HB2 SER A -9 79.706 14.933 -17.044 1.00 0.00 H new ATOM 0 HB3 SER A -9 80.377 13.610 -16.112 1.00 0.00 H new ATOM 0 HG SER A -9 78.424 13.007 -17.212 1.00 0.00 H new ATOM 179 N GLY A -8 81.640 15.158 -13.947 1.00 0.00 N ATOM 180 CA GLY A -8 82.925 15.744 -13.620 1.00 0.00 C ATOM 181 C GLY A -8 82.985 16.251 -12.195 1.00 0.00 C ATOM 182 O GLY A -8 83.488 17.344 -11.938 1.00 0.00 O ATOM 0 H GLY A -8 81.508 14.203 -13.613 1.00 0.00 H new ATOM 0 HA2 GLY A -8 83.708 15.001 -13.771 1.00 0.00 H new ATOM 0 HA3 GLY A -8 83.130 16.567 -14.304 1.00 0.00 H new ATOM 186 N LEU A -7 82.470 15.456 -11.266 1.00 0.00 N ATOM 187 CA LEU A -7 82.472 15.826 -9.857 1.00 0.00 C ATOM 188 C LEU A -7 83.835 15.544 -9.242 1.00 0.00 C ATOM 189 O LEU A -7 84.556 14.658 -9.708 1.00 0.00 O ATOM 190 CB LEU A -7 81.383 15.068 -9.080 1.00 0.00 C ATOM 191 CG LEU A -7 79.929 15.438 -9.411 1.00 0.00 C ATOM 192 CD1 LEU A -7 79.728 16.946 -9.361 1.00 0.00 C ATOM 193 CD2 LEU A -7 79.511 14.877 -10.764 1.00 0.00 C ATOM 0 H LEU A -7 82.045 14.550 -11.463 1.00 0.00 H new ATOM 0 HA LEU A -7 82.259 16.893 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A -7 81.514 14.001 -9.260 1.00 0.00 H new ATOM 0 HB3 LEU A -7 81.544 15.234 -8.015 1.00 0.00 H new ATOM 0 HG LEU A -7 79.289 14.986 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A -7 78.691 17.183 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A -7 79.964 17.312 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A -7 80.385 17.425 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A -7 78.477 15.156 -10.970 1.00 0.00 H new ATOM 0 HD22 LEU A -7 80.158 15.283 -11.542 1.00 0.00 H new ATOM 0 HD23 LEU A -7 79.598 13.791 -10.750 1.00 0.00 H new ATOM 205 N VAL A -6 84.167 16.297 -8.195 1.00 0.00 N ATOM 206 CA VAL A -6 85.456 16.188 -7.515 1.00 0.00 C ATOM 207 C VAL A -6 86.605 16.492 -8.481 1.00 0.00 C ATOM 208 O VAL A -6 87.215 15.586 -9.055 1.00 0.00 O ATOM 209 CB VAL A -6 85.659 14.794 -6.869 1.00 0.00 C ATOM 210 CG1 VAL A -6 86.932 14.762 -6.034 1.00 0.00 C ATOM 211 CG2 VAL A -6 84.453 14.418 -6.018 1.00 0.00 C ATOM 0 H VAL A -6 83.548 17.001 -7.794 1.00 0.00 H new ATOM 0 HA VAL A -6 85.457 16.927 -6.714 1.00 0.00 H new ATOM 0 HB VAL A -6 85.760 14.061 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A -6 87.052 13.773 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A -6 87.790 14.981 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A -6 86.867 15.508 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A -6 84.614 13.436 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A -6 84.320 15.157 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A -6 83.561 14.391 -6.643 1.00 0.00 H new ATOM 221 N PRO A -5 86.901 17.783 -8.689 1.00 0.00 N ATOM 222 CA PRO A -5 87.921 18.214 -9.641 1.00 0.00 C ATOM 223 C PRO A -5 89.325 18.241 -9.040 1.00 0.00 C ATOM 224 O PRO A -5 90.211 18.940 -9.539 1.00 0.00 O ATOM 225 CB PRO A -5 87.463 19.624 -9.994 1.00 0.00 C ATOM 226 CG PRO A -5 86.806 20.134 -8.754 1.00 0.00 C ATOM 227 CD PRO A -5 86.257 18.930 -8.022 1.00 0.00 C ATOM 0 HA PRO A -5 88.004 17.537 -10.491 1.00 0.00 H new ATOM 0 HB2 PRO A -5 88.305 20.253 -10.282 1.00 0.00 H new ATOM 0 HB3 PRO A -5 86.769 19.616 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A -5 87.521 20.672 -8.131 1.00 0.00 H new ATOM 0 HG3 PRO A -5 86.007 20.834 -9.000 1.00 0.00 H new ATOM 0 HD2 PRO A -5 86.501 18.963 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A -5 85.171 18.878 -8.098 1.00 0.00 H new ATOM 235 N ARG A -4 89.528 17.473 -7.978 1.00 0.00 N ATOM 236 CA ARG A -4 90.810 17.447 -7.293 1.00 0.00 C ATOM 237 C ARG A -4 91.101 16.061 -6.731 1.00 0.00 C ATOM 238 O ARG A -4 90.251 15.451 -6.084 1.00 0.00 O ATOM 239 CB ARG A -4 90.822 18.484 -6.170 1.00 0.00 C ATOM 240 CG ARG A -4 92.114 18.513 -5.373 1.00 0.00 C ATOM 241 CD ARG A -4 92.133 19.679 -4.403 1.00 0.00 C ATOM 242 NE ARG A -4 92.095 20.962 -5.100 1.00 0.00 N ATOM 243 CZ ARG A -4 91.896 22.132 -4.502 1.00 0.00 C ATOM 244 NH1 ARG A -4 91.674 22.183 -3.195 1.00 0.00 N ATOM 245 NH2 ARG A -4 91.904 23.248 -5.218 1.00 0.00 N ATOM 0 H ARG A -4 88.820 16.860 -7.573 1.00 0.00 H new ATOM 0 HA ARG A -4 91.590 17.691 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A -4 90.649 19.471 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A -4 89.993 18.281 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A -4 92.227 17.578 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A -4 92.962 18.588 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A -4 91.280 19.606 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A -4 93.031 19.626 -3.787 1.00 0.00 H new ATOM 0 HE ARG A -4 92.230 20.960 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A -4 91.656 21.323 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG A -4 91.522 23.082 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A -4 92.063 23.207 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A -4 91.752 24.148 -4.762 1.00 0.00 H new ATOM 259 N GLY A -3 92.302 15.566 -6.995 1.00 0.00 N ATOM 260 CA GLY A -3 92.708 14.282 -6.465 1.00 0.00 C ATOM 261 C GLY A -3 93.554 14.433 -5.220 1.00 0.00 C ATOM 262 O GLY A -3 94.119 15.501 -4.976 1.00 0.00 O ATOM 0 H GLY A -3 93.004 16.033 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A -3 91.824 13.687 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A -3 93.270 13.737 -7.223 1.00 0.00 H new ATOM 266 N SER A -2 93.642 13.378 -4.428 1.00 0.00 N ATOM 267 CA SER A -2 94.426 13.411 -3.203 1.00 0.00 C ATOM 268 C SER A -2 95.883 13.072 -3.504 1.00 0.00 C ATOM 269 O SER A -2 96.232 12.741 -4.639 1.00 0.00 O ATOM 270 CB SER A -2 93.846 12.428 -2.178 1.00 0.00 C ATOM 271 OG SER A -2 94.516 12.521 -0.929 1.00 0.00 O ATOM 0 H SER A -2 93.180 12.487 -4.611 1.00 0.00 H new ATOM 0 HA SER A -2 94.383 14.416 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A -2 92.784 12.631 -2.038 1.00 0.00 H new ATOM 0 HB3 SER A -2 93.928 11.411 -2.561 1.00 0.00 H new ATOM 0 HG SER A -2 94.122 11.883 -0.298 1.00 0.00 H new ATOM 277 N HIS A -1 96.731 13.169 -2.491 1.00 0.00 N ATOM 278 CA HIS A -1 98.131 12.794 -2.623 1.00 0.00 C ATOM 279 C HIS A -1 98.266 11.278 -2.528 1.00 0.00 C ATOM 280 O HIS A -1 99.250 10.698 -2.980 1.00 0.00 O ATOM 281 CB HIS A -1 98.971 13.489 -1.543 1.00 0.00 C ATOM 282 CG HIS A -1 100.408 13.054 -1.500 1.00 0.00 C ATOM 283 ND1 HIS A -1 101.013 12.590 -0.356 1.00 0.00 N ATOM 284 CD2 HIS A -1 101.355 13.007 -2.468 1.00 0.00 C ATOM 285 CE1 HIS A -1 102.266 12.273 -0.617 1.00 0.00 C ATOM 286 NE2 HIS A -1 102.503 12.515 -1.895 1.00 0.00 N ATOM 0 H HIS A -1 96.472 13.506 -1.564 1.00 0.00 H new ATOM 0 HA HIS A -1 98.501 13.116 -3.596 1.00 0.00 H new ATOM 0 HB2 HIS A -1 98.935 14.566 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS A -1 98.518 13.301 -0.570 1.00 0.00 H new ATOM 0 HD2 HIS A -1 101.231 13.302 -3.500 1.00 0.00 H new ATOM 0 HE1 HIS A -1 102.979 11.882 0.094 1.00 0.00 H new ATOM 0 HE2 HIS A -1 103.390 12.362 -2.375 1.00 0.00 H new ATOM 295 N MET A 0 97.256 10.647 -1.945 1.00 0.00 N ATOM 296 CA MET A 0 97.234 9.201 -1.806 1.00 0.00 C ATOM 297 C MET A 0 96.624 8.554 -3.041 1.00 0.00 C ATOM 298 O MET A 0 95.591 9.000 -3.543 1.00 0.00 O ATOM 299 CB MET A 0 96.449 8.790 -0.560 1.00 0.00 C ATOM 300 CG MET A 0 97.119 9.192 0.742 1.00 0.00 C ATOM 301 SD MET A 0 98.730 8.413 0.957 1.00 0.00 S ATOM 302 CE MET A 0 98.289 6.676 0.887 1.00 0.00 C ATOM 0 H MET A 0 96.438 11.119 -1.559 1.00 0.00 H new ATOM 0 HA MET A 0 98.263 8.856 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A 0 95.457 9.239 -0.602 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.310 7.709 -0.569 1.00 0.00 H new ATOM 0 HG2 MET A 0 97.236 10.275 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 0 96.474 8.922 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.785 6.142 1.697 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.209 6.570 0.990 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.605 6.259 -0.069 1.00 0.00 H new ATOM 312 N MET A 1 97.267 7.504 -3.523 1.00 0.00 N ATOM 313 CA MET A 1 96.804 6.795 -4.709 1.00 0.00 C ATOM 314 C MET A 1 96.036 5.538 -4.319 1.00 0.00 C ATOM 315 O MET A 1 95.707 4.706 -5.172 1.00 0.00 O ATOM 316 CB MET A 1 97.980 6.422 -5.616 1.00 0.00 C ATOM 317 CG MET A 1 98.764 7.617 -6.137 1.00 0.00 C ATOM 318 SD MET A 1 100.014 7.153 -7.353 1.00 0.00 S ATOM 319 CE MET A 1 100.751 8.751 -7.689 1.00 0.00 C ATOM 0 H MET A 1 98.117 7.120 -3.110 1.00 0.00 H new ATOM 0 HA MET A 1 96.138 7.462 -5.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.657 5.769 -5.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.604 5.850 -6.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.074 8.331 -6.586 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.247 8.122 -5.301 1.00 0.00 H new ATOM 0 HE1 MET A 1 101.546 8.637 -8.426 1.00 0.00 H new ATOM 0 HE2 MET A 1 99.990 9.428 -8.078 1.00 0.00 H new ATOM 0 HE3 MET A 1 101.165 9.161 -6.768 1.00 0.00 H new ATOM 329 N PHE A 2 95.773 5.401 -3.024 1.00 0.00 N ATOM 330 CA PHE A 2 94.963 4.303 -2.508 1.00 0.00 C ATOM 331 C PHE A 2 93.541 4.429 -3.042 1.00 0.00 C ATOM 332 O PHE A 2 92.909 5.474 -2.902 1.00 0.00 O ATOM 333 CB PHE A 2 94.960 4.314 -0.972 1.00 0.00 C ATOM 334 CG PHE A 2 94.244 3.142 -0.349 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.925 1.967 -0.074 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.896 3.219 -0.033 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.276 0.891 0.503 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.242 2.145 0.543 1.00 0.00 C ATOM 339 CZ PHE A 2 92.934 0.979 0.811 1.00 0.00 C ATOM 0 H PHE A 2 96.112 6.042 -2.307 1.00 0.00 H new ATOM 0 HA PHE A 2 95.389 3.357 -2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.991 4.326 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.493 5.236 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.975 1.891 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.351 4.128 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.820 -0.018 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.192 2.217 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.426 0.139 1.260 1.00 0.00 H new ATOM 349 N LYS A 3 93.048 3.371 -3.662 1.00 0.00 N ATOM 350 CA LYS A 3 91.750 3.423 -4.317 1.00 0.00 C ATOM 351 C LYS A 3 90.777 2.442 -3.684 1.00 0.00 C ATOM 352 O LYS A 3 90.889 1.232 -3.881 1.00 0.00 O ATOM 353 CB LYS A 3 91.900 3.120 -5.807 1.00 0.00 C ATOM 354 CG LYS A 3 92.902 4.021 -6.508 1.00 0.00 C ATOM 355 CD LYS A 3 93.083 3.639 -7.967 1.00 0.00 C ATOM 356 CE LYS A 3 94.220 4.423 -8.603 1.00 0.00 C ATOM 357 NZ LYS A 3 95.528 4.118 -7.959 1.00 0.00 N ATOM 0 H LYS A 3 93.522 2.470 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 3 91.349 4.429 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.208 2.082 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.929 3.224 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 3 92.567 5.056 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.862 3.964 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.287 2.571 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.158 3.827 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 3 94.274 4.188 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 3 94.015 5.491 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 96.299 4.506 -8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 95.557 4.547 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 95.642 3.088 -7.876 1.00 0.00 H new ATOM 371 N LEU A 4 89.838 2.965 -2.917 1.00 0.00 N ATOM 372 CA LEU A 4 88.798 2.144 -2.320 1.00 0.00 C ATOM 373 C LEU A 4 87.620 2.067 -3.285 1.00 0.00 C ATOM 374 O LEU A 4 86.962 3.074 -3.555 1.00 0.00 O ATOM 375 CB LEU A 4 88.362 2.744 -0.973 1.00 0.00 C ATOM 376 CG LEU A 4 87.775 1.757 0.050 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.529 2.448 1.382 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.482 1.140 -0.455 1.00 0.00 C ATOM 0 H LEU A 4 89.773 3.958 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 4 89.176 1.139 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.224 3.234 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.620 3.519 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 4 88.505 0.960 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.114 1.733 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.470 2.838 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 4 86.826 3.269 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.093 0.447 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.750 1.927 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.674 0.602 -1.384 1.00 0.00 H new ATOM 390 N THR A 5 87.372 0.880 -3.821 1.00 0.00 N ATOM 391 CA THR A 5 86.302 0.698 -4.790 1.00 0.00 C ATOM 392 C THR A 5 84.930 0.849 -4.137 1.00 0.00 C ATOM 393 O THR A 5 84.710 0.369 -3.025 1.00 0.00 O ATOM 394 CB THR A 5 86.395 -0.680 -5.475 1.00 0.00 C ATOM 395 OG1 THR A 5 86.425 -1.721 -4.490 1.00 0.00 O ATOM 396 CG2 THR A 5 87.635 -0.765 -6.352 1.00 0.00 C ATOM 0 H THR A 5 87.895 0.032 -3.602 1.00 0.00 H new ATOM 0 HA THR A 5 86.421 1.476 -5.544 1.00 0.00 H new ATOM 0 HB THR A 5 85.514 -0.807 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 5 87.355 -1.944 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.680 -1.746 -6.825 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.591 0.007 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.525 -0.617 -5.740 1.00 0.00 H new ATOM 404 N PRO A 6 83.985 1.519 -4.823 1.00 0.00 N ATOM 405 CA PRO A 6 82.618 1.707 -4.319 1.00 0.00 C ATOM 406 C PRO A 6 81.950 0.379 -3.970 1.00 0.00 C ATOM 407 O PRO A 6 81.112 0.307 -3.071 1.00 0.00 O ATOM 408 CB PRO A 6 81.894 2.387 -5.483 1.00 0.00 C ATOM 409 CG PRO A 6 82.974 3.047 -6.269 1.00 0.00 C ATOM 410 CD PRO A 6 84.177 2.154 -6.139 1.00 0.00 C ATOM 0 HA PRO A 6 82.597 2.289 -3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.351 1.662 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.165 3.114 -5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.683 3.163 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.184 4.045 -5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.219 1.416 -6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 6 85.106 2.722 -6.180 1.00 0.00 H new ATOM 418 N ALA A 7 82.349 -0.671 -4.680 1.00 0.00 N ATOM 419 CA ALA A 7 81.842 -2.011 -4.432 1.00 0.00 C ATOM 420 C ALA A 7 82.208 -2.472 -3.025 1.00 0.00 C ATOM 421 O ALA A 7 81.365 -2.992 -2.293 1.00 0.00 O ATOM 422 CB ALA A 7 82.396 -2.972 -5.470 1.00 0.00 C ATOM 0 H ALA A 7 83.029 -0.616 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 7 80.755 -1.996 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.013 -3.974 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 7 82.089 -2.650 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 7 83.484 -2.983 -5.412 1.00 0.00 H new ATOM 428 N ALA A 8 83.463 -2.261 -2.648 1.00 0.00 N ATOM 429 CA ALA A 8 83.938 -2.644 -1.325 1.00 0.00 C ATOM 430 C ALA A 8 83.481 -1.632 -0.282 1.00 0.00 C ATOM 431 O ALA A 8 83.266 -1.975 0.879 1.00 0.00 O ATOM 432 CB ALA A 8 85.454 -2.771 -1.320 1.00 0.00 C ATOM 0 H ALA A 8 84.170 -1.826 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 8 83.512 -3.615 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.792 -3.058 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.758 -3.532 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.900 -1.815 -1.593 1.00 0.00 H new ATOM 438 N ALA A 9 83.323 -0.382 -0.713 1.00 0.00 N ATOM 439 CA ALA A 9 82.853 0.686 0.163 1.00 0.00 C ATOM 440 C ALA A 9 81.475 0.362 0.720 1.00 0.00 C ATOM 441 O ALA A 9 81.162 0.698 1.860 1.00 0.00 O ATOM 442 CB ALA A 9 82.827 2.014 -0.582 1.00 0.00 C ATOM 0 H ALA A 9 83.515 -0.084 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 9 83.547 0.770 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.474 2.799 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.832 2.257 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.157 1.938 -1.438 1.00 0.00 H new ATOM 448 N GLU A 10 80.660 -0.306 -0.088 1.00 0.00 N ATOM 449 CA GLU A 10 79.328 -0.715 0.335 1.00 0.00 C ATOM 450 C GLU A 10 79.413 -1.753 1.457 1.00 0.00 C ATOM 451 O GLU A 10 78.574 -1.777 2.359 1.00 0.00 O ATOM 452 CB GLU A 10 78.547 -1.283 -0.851 1.00 0.00 C ATOM 453 CG GLU A 10 77.125 -1.688 -0.503 1.00 0.00 C ATOM 454 CD GLU A 10 76.391 -2.303 -1.673 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.725 -3.449 -2.058 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.470 -1.650 -2.211 1.00 0.00 O ATOM 0 H GLU A 10 80.900 -0.576 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 10 78.804 0.162 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.520 -0.539 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 10 79.078 -2.151 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.146 -2.400 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.577 -0.812 -0.155 1.00 0.00 H new ATOM 463 N GLN A 11 80.434 -2.599 1.401 1.00 0.00 N ATOM 464 CA GLN A 11 80.635 -3.621 2.419 1.00 0.00 C ATOM 465 C GLN A 11 81.118 -2.980 3.719 1.00 0.00 C ATOM 466 O GLN A 11 80.686 -3.364 4.809 1.00 0.00 O ATOM 467 CB GLN A 11 81.631 -4.676 1.924 1.00 0.00 C ATOM 468 CG GLN A 11 81.906 -5.786 2.928 1.00 0.00 C ATOM 469 CD GLN A 11 82.831 -6.854 2.373 1.00 0.00 C ATOM 470 OE1 GLN A 11 83.667 -6.583 1.515 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.700 -8.071 2.877 1.00 0.00 N ATOM 0 H GLN A 11 81.136 -2.597 0.661 1.00 0.00 H new ATOM 0 HA GLN A 11 79.685 -4.118 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.249 -5.119 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.571 -4.184 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.349 -5.357 3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.963 -6.245 3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 11 81.993 -8.255 3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 11 83.306 -8.825 2.554 1.00 0.00 H new ATOM 480 N VAL A 12 82.001 -1.993 3.594 1.00 0.00 N ATOM 481 CA VAL A 12 82.459 -1.226 4.749 1.00 0.00 C ATOM 482 C VAL A 12 81.289 -0.460 5.359 1.00 0.00 C ATOM 483 O VAL A 12 81.091 -0.464 6.576 1.00 0.00 O ATOM 484 CB VAL A 12 83.577 -0.225 4.370 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.067 0.532 5.596 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.734 -0.937 3.688 1.00 0.00 C ATOM 0 H VAL A 12 82.413 -1.706 2.706 1.00 0.00 H new ATOM 0 HA VAL A 12 82.866 -1.934 5.471 1.00 0.00 H new ATOM 0 HB VAL A 12 83.156 0.495 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 12 84.852 1.229 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.238 1.084 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.462 -0.174 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.507 -0.212 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.149 -1.686 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.377 -1.424 2.780 1.00 0.00 H new ATOM 496 N LEU A 13 80.510 0.184 4.491 1.00 0.00 N ATOM 497 CA LEU A 13 79.323 0.922 4.904 1.00 0.00 C ATOM 498 C LEU A 13 78.371 0.013 5.670 1.00 0.00 C ATOM 499 O LEU A 13 77.796 0.417 6.676 1.00 0.00 O ATOM 500 CB LEU A 13 78.612 1.509 3.679 1.00 0.00 C ATOM 501 CG LEU A 13 77.345 2.315 3.976 1.00 0.00 C ATOM 502 CD1 LEU A 13 77.676 3.554 4.794 1.00 0.00 C ATOM 503 CD2 LEU A 13 76.646 2.701 2.681 1.00 0.00 C ATOM 0 H LEU A 13 80.685 0.207 3.486 1.00 0.00 H new ATOM 0 HA LEU A 13 79.633 1.736 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.314 2.151 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.353 0.692 3.005 1.00 0.00 H new ATOM 0 HG LEU A 13 76.670 1.691 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 13 76.762 4.113 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 13 78.133 3.256 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.371 4.183 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 13 75.747 3.274 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.317 3.307 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.372 1.800 2.133 1.00 0.00 H new ATOM 515 N LYS A 14 78.225 -1.219 5.192 1.00 0.00 N ATOM 516 CA LYS A 14 77.364 -2.201 5.838 1.00 0.00 C ATOM 517 C LYS A 14 77.763 -2.391 7.297 1.00 0.00 C ATOM 518 O LYS A 14 76.942 -2.221 8.195 1.00 0.00 O ATOM 519 CB LYS A 14 77.445 -3.544 5.112 1.00 0.00 C ATOM 520 CG LYS A 14 76.537 -4.613 5.701 1.00 0.00 C ATOM 521 CD LYS A 14 76.829 -5.983 5.108 1.00 0.00 C ATOM 522 CE LYS A 14 75.865 -7.038 5.624 1.00 0.00 C ATOM 523 NZ LYS A 14 75.855 -7.115 7.109 1.00 0.00 N ATOM 0 H LYS A 14 78.695 -1.561 4.354 1.00 0.00 H new ATOM 0 HA LYS A 14 76.340 -1.829 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.185 -3.397 4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.475 -3.900 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.669 -4.648 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.496 -4.350 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.763 -5.930 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.851 -6.274 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.860 -6.814 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.140 -8.010 5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.581 -8.074 7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.804 -6.898 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.173 -6.428 7.488 1.00 0.00 H new ATOM 537 N ALA A 15 79.032 -2.725 7.518 1.00 0.00 N ATOM 538 CA ALA A 15 79.542 -3.009 8.858 1.00 0.00 C ATOM 539 C ALA A 15 79.328 -1.830 9.803 1.00 0.00 C ATOM 540 O ALA A 15 78.969 -2.012 10.970 1.00 0.00 O ATOM 541 CB ALA A 15 81.018 -3.376 8.791 1.00 0.00 C ATOM 0 H ALA A 15 79.731 -2.806 6.780 1.00 0.00 H new ATOM 0 HA ALA A 15 78.982 -3.855 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 15 81.387 -3.585 9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.145 -4.260 8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.580 -2.546 8.364 1.00 0.00 H new ATOM 547 N ALA A 16 79.533 -0.623 9.291 1.00 0.00 N ATOM 548 CA ALA A 16 79.361 0.586 10.087 1.00 0.00 C ATOM 549 C ALA A 16 77.882 0.876 10.327 1.00 0.00 C ATOM 550 O ALA A 16 77.495 1.297 11.415 1.00 0.00 O ATOM 551 CB ALA A 16 80.030 1.768 9.399 1.00 0.00 C ATOM 0 H ALA A 16 79.819 -0.455 8.326 1.00 0.00 H new ATOM 0 HA ALA A 16 79.835 0.428 11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 16 79.895 2.665 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.095 1.566 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.580 1.920 8.418 1.00 0.00 H new ATOM 557 N LYS A 17 77.062 0.618 9.313 1.00 0.00 N ATOM 558 CA LYS A 17 75.632 0.905 9.376 1.00 0.00 C ATOM 559 C LYS A 17 74.923 -0.010 10.374 1.00 0.00 C ATOM 560 O LYS A 17 73.860 0.331 10.891 1.00 0.00 O ATOM 561 CB LYS A 17 75.012 0.763 7.982 1.00 0.00 C ATOM 562 CG LYS A 17 73.548 1.166 7.902 1.00 0.00 C ATOM 563 CD LYS A 17 73.054 1.160 6.463 1.00 0.00 C ATOM 564 CE LYS A 17 71.574 1.501 6.368 1.00 0.00 C ATOM 565 NZ LYS A 17 70.723 0.473 7.023 1.00 0.00 N ATOM 0 H LYS A 17 77.366 0.207 8.430 1.00 0.00 H new ATOM 0 HA LYS A 17 75.504 1.931 9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.583 1.371 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.109 -0.273 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.946 0.481 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.418 2.160 8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.630 1.878 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.229 0.178 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.395 2.470 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.290 1.593 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.730 0.620 6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.028 -0.474 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 70.815 0.553 8.056 1.00 0.00 H new ATOM 579 N GLN A 18 75.509 -1.172 10.645 1.00 0.00 N ATOM 580 CA GLN A 18 74.953 -2.083 11.643 1.00 0.00 C ATOM 581 C GLN A 18 75.128 -1.490 13.034 1.00 0.00 C ATOM 582 O GLN A 18 74.330 -1.740 13.937 1.00 0.00 O ATOM 583 CB GLN A 18 75.635 -3.460 11.596 1.00 0.00 C ATOM 584 CG GLN A 18 75.861 -4.072 10.208 1.00 0.00 C ATOM 585 CD GLN A 18 74.596 -4.331 9.397 1.00 0.00 C ATOM 586 OE1 GLN A 18 74.467 -5.379 8.763 1.00 0.00 O ATOM 587 NE2 GLN A 18 73.711 -3.357 9.312 1.00 0.00 N ATOM 0 H GLN A 18 76.361 -1.504 10.193 1.00 0.00 H new ATOM 0 HA GLN A 18 73.895 -2.215 11.417 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.602 -3.378 12.093 1.00 0.00 H new ATOM 0 HB3 GLN A 18 75.035 -4.157 12.181 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.509 -3.407 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.396 -5.014 10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 18 73.843 -2.500 9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 18 72.894 -3.461 8.710 1.00 0.00 H new ATOM 596 N GLY A 19 76.169 -0.690 13.189 1.00 0.00 N ATOM 597 CA GLY A 19 76.502 -0.140 14.480 1.00 0.00 C ATOM 598 C GLY A 19 77.794 -0.715 15.007 1.00 0.00 C ATOM 599 O GLY A 19 78.193 -1.816 14.621 1.00 0.00 O ATOM 0 H GLY A 19 76.795 -0.410 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.589 0.944 14.404 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.696 -0.347 15.184 1.00 0.00 H new ATOM 603 N GLY A 20 78.454 0.022 15.878 1.00 0.00 N ATOM 604 CA GLY A 20 79.725 -0.419 16.406 1.00 0.00 C ATOM 605 C GLY A 20 80.861 0.450 15.919 1.00 0.00 C ATOM 606 O GLY A 20 81.454 1.200 16.693 1.00 0.00 O ATOM 0 H GLY A 20 78.132 0.923 16.232 1.00 0.00 H new ATOM 0 HA2 GLY A 20 79.693 -0.401 17.495 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.904 -1.453 16.110 1.00 0.00 H new ATOM 610 N THR A 21 81.144 0.373 14.628 1.00 0.00 N ATOM 611 CA THR A 21 82.192 1.184 14.025 1.00 0.00 C ATOM 612 C THR A 21 81.612 2.478 13.459 1.00 0.00 C ATOM 613 O THR A 21 82.298 3.249 12.787 1.00 0.00 O ATOM 614 CB THR A 21 82.915 0.406 12.912 1.00 0.00 C ATOM 615 OG1 THR A 21 81.956 -0.143 11.997 1.00 0.00 O ATOM 616 CG2 THR A 21 83.757 -0.717 13.500 1.00 0.00 C ATOM 0 H THR A 21 80.661 -0.245 13.975 1.00 0.00 H new ATOM 0 HA THR A 21 82.913 1.431 14.804 1.00 0.00 H new ATOM 0 HB THR A 21 83.572 1.096 12.382 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.423 -0.635 11.290 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.260 -1.254 12.696 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.501 -0.298 14.177 1.00 0.00 H new ATOM 0 HG23 THR A 21 83.114 -1.405 14.049 1.00 0.00 H new ATOM 624 N GLU A 22 80.336 2.702 13.750 1.00 0.00 N ATOM 625 CA GLU A 22 79.633 3.895 13.303 1.00 0.00 C ATOM 626 C GLU A 22 80.261 5.145 13.914 1.00 0.00 C ATOM 627 O GLU A 22 80.442 5.229 15.129 1.00 0.00 O ATOM 628 CB GLU A 22 78.159 3.806 13.701 1.00 0.00 C ATOM 629 CG GLU A 22 77.306 4.947 13.176 1.00 0.00 C ATOM 630 CD GLU A 22 75.942 4.990 13.827 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.102 4.122 13.525 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.703 5.896 14.657 1.00 0.00 O ATOM 0 H GLU A 22 79.762 2.063 14.301 1.00 0.00 H new ATOM 0 HA GLU A 22 79.711 3.961 12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.751 2.864 13.336 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.088 3.784 14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.820 5.892 13.351 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.188 4.843 12.097 1.00 0.00 H new ATOM 639 N GLY A 23 80.605 6.102 13.068 1.00 0.00 N ATOM 640 CA GLY A 23 81.202 7.336 13.541 1.00 0.00 C ATOM 641 C GLY A 23 82.714 7.260 13.610 1.00 0.00 C ATOM 642 O GLY A 23 83.392 8.285 13.692 1.00 0.00 O ATOM 0 H GLY A 23 80.481 6.047 12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 23 80.912 8.153 12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.808 7.571 14.530 1.00 0.00 H new ATOM 646 N MET A 24 83.244 6.045 13.569 1.00 0.00 N ATOM 647 CA MET A 24 84.683 5.837 13.657 1.00 0.00 C ATOM 648 C MET A 24 85.332 6.014 12.289 1.00 0.00 C ATOM 649 O MET A 24 84.647 6.029 11.264 1.00 0.00 O ATOM 650 CB MET A 24 84.994 4.443 14.213 1.00 0.00 C ATOM 651 CG MET A 24 84.376 4.181 15.578 1.00 0.00 C ATOM 652 SD MET A 24 84.762 2.540 16.218 1.00 0.00 S ATOM 653 CE MET A 24 86.525 2.693 16.486 1.00 0.00 C ATOM 0 H MET A 24 82.699 5.188 13.475 1.00 0.00 H new ATOM 0 HA MET A 24 85.094 6.582 14.338 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.634 3.692 13.510 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.075 4.322 14.283 1.00 0.00 H new ATOM 0 HG2 MET A 24 84.731 4.933 16.283 1.00 0.00 H new ATOM 0 HG3 MET A 24 83.294 4.294 15.509 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.056 2.040 15.794 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.830 3.726 16.318 1.00 0.00 H new ATOM 0 HE3 MET A 24 86.764 2.406 17.510 1.00 0.00 H new ATOM 663 N CYS A 25 86.648 6.152 12.276 1.00 0.00 N ATOM 664 CA CYS A 25 87.378 6.377 11.042 1.00 0.00 C ATOM 665 C CYS A 25 88.159 5.126 10.657 1.00 0.00 C ATOM 666 O CYS A 25 88.429 4.268 11.504 1.00 0.00 O ATOM 667 CB CYS A 25 88.321 7.572 11.208 1.00 0.00 C ATOM 668 SG CYS A 25 89.109 8.114 9.678 1.00 0.00 S ATOM 0 H CYS A 25 87.233 6.112 13.110 1.00 0.00 H new ATOM 0 HA CYS A 25 86.670 6.598 10.243 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.761 8.406 11.630 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.095 7.311 11.929 1.00 0.00 H new ATOM 0 HG CYS A 25 88.460 7.630 8.661 1.00 0.00 H new ATOM 674 N LEU A 26 88.515 5.018 9.385 1.00 0.00 N ATOM 675 CA LEU A 26 89.220 3.849 8.887 1.00 0.00 C ATOM 676 C LEU A 26 90.729 4.027 9.030 1.00 0.00 C ATOM 677 O LEU A 26 91.360 4.740 8.248 1.00 0.00 O ATOM 678 CB LEU A 26 88.854 3.590 7.423 1.00 0.00 C ATOM 679 CG LEU A 26 89.396 2.284 6.842 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.784 1.091 7.560 1.00 0.00 C ATOM 681 CD2 LEU A 26 89.117 2.204 5.352 1.00 0.00 C ATOM 0 H LEU A 26 88.326 5.729 8.678 1.00 0.00 H new ATOM 0 HA LEU A 26 88.917 2.988 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.768 3.588 7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 26 89.223 4.419 6.820 1.00 0.00 H new ATOM 0 HG LEU A 26 90.476 2.264 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.180 0.168 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.032 1.138 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.701 1.110 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.511 1.267 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 26 88.041 2.246 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.598 3.041 4.846 1.00 0.00 H new ATOM 693 N ARG A 27 91.295 3.383 10.038 1.00 0.00 N ATOM 694 CA ARG A 27 92.727 3.446 10.289 1.00 0.00 C ATOM 695 C ARG A 27 93.425 2.301 9.563 1.00 0.00 C ATOM 696 O ARG A 27 93.243 1.131 9.909 1.00 0.00 O ATOM 697 CB ARG A 27 93.007 3.365 11.796 1.00 0.00 C ATOM 698 CG ARG A 27 94.479 3.502 12.165 1.00 0.00 C ATOM 699 CD ARG A 27 94.968 4.939 12.034 1.00 0.00 C ATOM 700 NE ARG A 27 94.394 5.815 13.061 1.00 0.00 N ATOM 701 CZ ARG A 27 94.765 7.080 13.260 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.721 7.629 12.521 1.00 0.00 N ATOM 703 NH2 ARG A 27 94.191 7.792 14.218 1.00 0.00 N ATOM 0 H ARG A 27 90.779 2.805 10.702 1.00 0.00 H new ATOM 0 HA ARG A 27 93.112 4.395 9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.443 4.148 12.302 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.637 2.411 12.172 1.00 0.00 H new ATOM 0 HG2 ARG A 27 94.630 3.160 13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.076 2.856 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 27 96.055 4.959 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.708 5.321 11.047 1.00 0.00 H new ATOM 0 HE ARG A 27 93.664 5.432 13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.180 7.082 11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.997 8.598 12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.467 7.372 14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 27 94.473 8.760 14.373 1.00 0.00 H new ATOM 717 N LEU A 28 94.203 2.632 8.548 1.00 0.00 N ATOM 718 CA LEU A 28 94.905 1.617 7.777 1.00 0.00 C ATOM 719 C LEU A 28 96.345 1.467 8.253 1.00 0.00 C ATOM 720 O LEU A 28 96.982 2.438 8.666 1.00 0.00 O ATOM 721 CB LEU A 28 94.872 1.955 6.286 1.00 0.00 C ATOM 722 CG LEU A 28 93.490 1.905 5.633 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.594 2.222 4.151 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.851 0.541 5.841 1.00 0.00 C ATOM 0 H LEU A 28 94.365 3.590 8.238 1.00 0.00 H new ATOM 0 HA LEU A 28 94.394 0.667 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.284 2.954 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.529 1.263 5.759 1.00 0.00 H new ATOM 0 HG LEU A 28 92.857 2.657 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.602 2.183 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.012 3.220 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.242 1.491 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.868 0.524 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.481 -0.228 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.745 0.348 6.908 1.00 0.00 H new ATOM 736 N ALA A 29 96.845 0.240 8.196 1.00 0.00 N ATOM 737 CA ALA A 29 98.206 -0.062 8.610 1.00 0.00 C ATOM 738 C ALA A 29 98.763 -1.213 7.779 1.00 0.00 C ATOM 739 O ALA A 29 98.076 -1.742 6.907 1.00 0.00 O ATOM 740 CB ALA A 29 98.244 -0.407 10.093 1.00 0.00 C ATOM 0 H ALA A 29 96.321 -0.569 7.863 1.00 0.00 H new ATOM 0 HA ALA A 29 98.827 0.819 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.269 -0.631 10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.876 0.439 10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.614 -1.277 10.280 1.00 0.00 H new ATOM 746 N ALA A 30 100.003 -1.594 8.042 1.00 0.00 N ATOM 747 CA ALA A 30 100.626 -2.703 7.335 1.00 0.00 C ATOM 748 C ALA A 30 101.568 -3.466 8.257 1.00 0.00 C ATOM 749 O ALA A 30 102.399 -2.866 8.939 1.00 0.00 O ATOM 750 CB ALA A 30 101.375 -2.199 6.110 1.00 0.00 C ATOM 0 H ALA A 30 100.599 -1.151 8.741 1.00 0.00 H new ATOM 0 HA ALA A 30 99.841 -3.384 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.835 -3.041 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.678 -1.697 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.149 -1.497 6.420 1.00 0.00 H new ATOM 756 N GLY A 31 101.421 -4.783 8.286 1.00 0.00 N ATOM 757 CA GLY A 31 102.294 -5.619 9.088 1.00 0.00 C ATOM 758 C GLY A 31 103.454 -6.152 8.276 1.00 0.00 C ATOM 759 O GLY A 31 103.266 -6.951 7.357 1.00 0.00 O ATOM 0 H GLY A 31 100.707 -5.292 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 31 102.674 -5.044 9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 31 101.724 -6.452 9.500 1.00 0.00 H new ATOM 763 N ARG A 32 104.654 -5.711 8.610 1.00 0.00 N ATOM 764 CA ARG A 32 105.834 -6.061 7.838 1.00 0.00 C ATOM 765 C ARG A 32 106.474 -7.343 8.361 1.00 0.00 C ATOM 766 O ARG A 32 107.145 -7.339 9.391 1.00 0.00 O ATOM 767 CB ARG A 32 106.844 -4.911 7.878 1.00 0.00 C ATOM 768 CG ARG A 32 107.988 -5.061 6.890 1.00 0.00 C ATOM 769 CD ARG A 32 108.932 -3.875 6.968 1.00 0.00 C ATOM 770 NE ARG A 32 109.860 -3.827 5.839 1.00 0.00 N ATOM 771 CZ ARG A 32 110.442 -2.709 5.406 1.00 0.00 C ATOM 772 NH1 ARG A 32 110.245 -1.563 6.048 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.231 -2.734 4.343 1.00 0.00 N ATOM 0 H ARG A 32 104.837 -5.109 9.412 1.00 0.00 H new ATOM 0 HA ARG A 32 105.528 -6.235 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 32 106.323 -3.975 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.254 -4.836 8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 32 108.535 -5.980 7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.591 -5.149 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 32 108.351 -2.953 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.498 -3.925 7.898 1.00 0.00 H new ATOM 0 HE ARG A 32 110.074 -4.699 5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 32 109.647 -1.537 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 32 110.691 -0.709 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.396 -3.612 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.674 -1.875 4.016 1.00 0.00 H new ATOM 787 N ASN A 33 106.234 -8.446 7.664 1.00 0.00 N ATOM 788 CA ASN A 33 106.911 -9.697 7.972 1.00 0.00 C ATOM 789 C ASN A 33 108.192 -9.785 7.153 1.00 0.00 C ATOM 790 O ASN A 33 108.143 -9.794 5.919 1.00 0.00 O ATOM 791 CB ASN A 33 106.023 -10.914 7.679 1.00 0.00 C ATOM 792 CG ASN A 33 104.745 -10.930 8.497 1.00 0.00 C ATOM 793 OD1 ASN A 33 104.727 -11.411 9.630 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.662 -10.422 7.926 1.00 0.00 N ATOM 0 H ASN A 33 105.578 -8.499 6.885 1.00 0.00 H new ATOM 0 HA ASN A 33 107.141 -9.707 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.769 -10.924 6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 33 106.587 -11.825 7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.774 -10.421 8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 33 103.717 -10.032 6.985 1.00 0.00 H new ATOM 801 N PRO A 34 109.349 -9.846 7.829 1.00 0.00 N ATOM 802 CA PRO A 34 110.670 -9.844 7.175 1.00 0.00 C ATOM 803 C PRO A 34 110.855 -11.002 6.197 1.00 0.00 C ATOM 804 O PRO A 34 111.746 -10.974 5.347 1.00 0.00 O ATOM 805 CB PRO A 34 111.650 -9.975 8.342 1.00 0.00 C ATOM 806 CG PRO A 34 110.889 -9.501 9.531 1.00 0.00 C ATOM 807 CD PRO A 34 109.468 -9.913 9.293 1.00 0.00 C ATOM 0 HA PRO A 34 110.813 -8.946 6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 34 111.979 -11.006 8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 34 112.544 -9.373 8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 34 111.277 -9.946 10.447 1.00 0.00 H new ATOM 0 HG3 PRO A 34 110.970 -8.420 9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 34 109.270 -10.917 9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 34 108.765 -9.243 9.787 1.00 0.00 H new ATOM 815 N ASP A 35 110.001 -12.011 6.315 1.00 0.00 N ATOM 816 CA ASP A 35 110.017 -13.154 5.407 1.00 0.00 C ATOM 817 C ASP A 35 109.658 -12.723 3.989 1.00 0.00 C ATOM 818 O ASP A 35 109.881 -13.458 3.028 1.00 0.00 O ATOM 819 CB ASP A 35 109.026 -14.219 5.883 1.00 0.00 C ATOM 820 CG ASP A 35 109.302 -14.682 7.299 1.00 0.00 C ATOM 821 OD1 ASP A 35 108.997 -13.924 8.245 1.00 0.00 O ATOM 822 OD2 ASP A 35 109.806 -15.812 7.475 1.00 0.00 O ATOM 0 H ASP A 35 109.282 -12.062 7.037 1.00 0.00 H new ATOM 0 HA ASP A 35 111.024 -13.571 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 35 108.014 -13.819 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 35 109.068 -15.075 5.210 1.00 0.00 H new ATOM 827 N GLY A 36 109.098 -11.526 3.865 1.00 0.00 N ATOM 828 CA GLY A 36 108.699 -11.022 2.569 1.00 0.00 C ATOM 829 C GLY A 36 107.196 -10.947 2.437 1.00 0.00 C ATOM 830 O GLY A 36 106.652 -11.078 1.342 1.00 0.00 O ATOM 0 H GLY A 36 108.913 -10.894 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 36 109.128 -10.032 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 36 109.101 -11.667 1.788 1.00 0.00 H new ATOM 834 N SER A 37 106.522 -10.738 3.558 1.00 0.00 N ATOM 835 CA SER A 37 105.075 -10.673 3.564 1.00 0.00 C ATOM 836 C SER A 37 104.605 -9.404 4.260 1.00 0.00 C ATOM 837 O SER A 37 104.579 -9.329 5.488 1.00 0.00 O ATOM 838 CB SER A 37 104.478 -11.906 4.254 1.00 0.00 C ATOM 839 OG SER A 37 103.065 -11.929 4.136 1.00 0.00 O ATOM 0 H SER A 37 106.956 -10.611 4.472 1.00 0.00 H new ATOM 0 HA SER A 37 104.730 -10.656 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.897 -12.811 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 37 104.757 -11.907 5.308 1.00 0.00 H new ATOM 0 HG SER A 37 102.664 -11.517 4.929 1.00 0.00 H new ATOM 845 N ILE A 38 104.273 -8.396 3.477 1.00 0.00 N ATOM 846 CA ILE A 38 103.690 -7.188 4.022 1.00 0.00 C ATOM 847 C ILE A 38 102.174 -7.312 4.010 1.00 0.00 C ATOM 848 O ILE A 38 101.531 -7.113 2.981 1.00 0.00 O ATOM 849 CB ILE A 38 104.118 -5.934 3.231 1.00 0.00 C ATOM 850 CG1 ILE A 38 105.646 -5.841 3.169 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.530 -4.681 3.871 1.00 0.00 C ATOM 852 CD1 ILE A 38 106.153 -4.681 2.341 1.00 0.00 C ATOM 0 H ILE A 38 104.397 -8.390 2.465 1.00 0.00 H new ATOM 0 HA ILE A 38 104.051 -7.070 5.044 1.00 0.00 H new ATOM 0 HB ILE A 38 103.736 -6.014 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 38 106.037 -5.750 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 38 106.041 -6.770 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 38 103.839 -3.803 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.442 -4.748 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.888 -4.594 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 38 107.243 -4.681 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 38 105.793 -4.780 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 38 105.789 -3.745 2.765 1.00 0.00 H new ATOM 864 N ASP A 39 101.615 -7.686 5.146 1.00 0.00 N ATOM 865 CA ASP A 39 100.182 -7.900 5.250 1.00 0.00 C ATOM 866 C ASP A 39 99.496 -6.634 5.721 1.00 0.00 C ATOM 867 O ASP A 39 99.634 -6.222 6.872 1.00 0.00 O ATOM 868 CB ASP A 39 99.869 -9.069 6.187 1.00 0.00 C ATOM 869 CG ASP A 39 100.314 -10.399 5.613 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.651 -10.904 4.680 1.00 0.00 O ATOM 871 OD2 ASP A 39 101.339 -10.942 6.079 1.00 0.00 O ATOM 0 H ASP A 39 102.131 -7.848 6.011 1.00 0.00 H new ATOM 0 HA ASP A 39 99.800 -8.154 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 39 100.362 -8.906 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.797 -9.100 6.381 1.00 0.00 H new ATOM 876 N TYR A 40 98.776 -6.012 4.811 1.00 0.00 N ATOM 877 CA TYR A 40 98.124 -4.742 5.072 1.00 0.00 C ATOM 878 C TYR A 40 96.908 -4.947 5.970 1.00 0.00 C ATOM 879 O TYR A 40 96.085 -5.830 5.729 1.00 0.00 O ATOM 880 CB TYR A 40 97.727 -4.088 3.746 1.00 0.00 C ATOM 881 CG TYR A 40 98.864 -4.060 2.743 1.00 0.00 C ATOM 882 CD1 TYR A 40 99.833 -3.065 2.785 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.981 -5.046 1.769 1.00 0.00 C ATOM 884 CE1 TYR A 40 100.882 -3.051 1.885 1.00 0.00 C ATOM 885 CE2 TYR A 40 100.031 -5.042 0.870 1.00 0.00 C ATOM 886 CZ TYR A 40 100.977 -4.041 0.930 1.00 0.00 C ATOM 887 OH TYR A 40 102.030 -4.036 0.044 1.00 0.00 O ATOM 0 H TYR A 40 98.625 -6.371 3.868 1.00 0.00 H new ATOM 0 HA TYR A 40 98.815 -4.079 5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.883 -4.629 3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 40 97.390 -3.069 3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 40 99.765 -2.289 3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.239 -5.828 1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 40 101.624 -2.268 1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 40 100.110 -5.819 0.124 1.00 0.00 H new ATOM 0 HH TYR A 40 101.908 -4.753 -0.613 1.00 0.00 H new ATOM 897 N ARG A 41 96.809 -4.132 7.010 1.00 0.00 N ATOM 898 CA ARG A 41 95.757 -4.278 8.001 1.00 0.00 C ATOM 899 C ARG A 41 94.734 -3.161 7.894 1.00 0.00 C ATOM 900 O ARG A 41 95.071 -2.012 7.603 1.00 0.00 O ATOM 901 CB ARG A 41 96.346 -4.308 9.413 1.00 0.00 C ATOM 902 CG ARG A 41 96.827 -5.682 9.845 1.00 0.00 C ATOM 903 CD ARG A 41 97.306 -5.669 11.285 1.00 0.00 C ATOM 904 NE ARG A 41 97.325 -7.009 11.869 1.00 0.00 N ATOM 905 CZ ARG A 41 97.499 -7.256 13.169 1.00 0.00 C ATOM 906 NH1 ARG A 41 97.748 -6.266 14.016 1.00 0.00 N ATOM 907 NH2 ARG A 41 97.428 -8.498 13.626 1.00 0.00 N ATOM 0 H ARG A 41 97.450 -3.359 7.189 1.00 0.00 H new ATOM 0 HA ARG A 41 95.253 -5.224 7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 41 97.180 -3.608 9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.593 -3.958 10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 41 96.018 -6.404 9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.637 -6.008 9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 41 98.307 -5.240 11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.656 -5.025 11.877 1.00 0.00 H new ATOM 0 HE ARG A 41 97.197 -7.805 11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 41 97.808 -5.306 13.675 1.00 0.00 H new ATOM 0 HH12 ARG A 41 97.880 -6.464 15.008 1.00 0.00 H new ATOM 0 HH21 ARG A 41 97.240 -9.268 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 41 97.561 -8.684 14.620 1.00 0.00 H new ATOM 921 N MET A 42 93.483 -3.512 8.139 1.00 0.00 N ATOM 922 CA MET A 42 92.390 -2.560 8.100 1.00 0.00 C ATOM 923 C MET A 42 91.664 -2.553 9.435 1.00 0.00 C ATOM 924 O MET A 42 91.196 -3.596 9.894 1.00 0.00 O ATOM 925 CB MET A 42 91.414 -2.932 6.983 1.00 0.00 C ATOM 926 CG MET A 42 90.238 -1.981 6.854 1.00 0.00 C ATOM 927 SD MET A 42 89.013 -2.560 5.668 1.00 0.00 S ATOM 928 CE MET A 42 90.029 -2.732 4.205 1.00 0.00 C ATOM 0 H MET A 42 93.198 -4.464 8.370 1.00 0.00 H new ATOM 0 HA MET A 42 92.792 -1.566 7.906 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.953 -2.958 6.036 1.00 0.00 H new ATOM 0 HB3 MET A 42 91.037 -3.939 7.163 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.766 -1.857 7.829 1.00 0.00 H new ATOM 0 HG3 MET A 42 90.600 -0.999 6.548 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.416 -3.085 3.376 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.465 -1.766 3.949 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.826 -3.450 4.398 1.00 0.00 H new ATOM 938 N GLY A 43 91.586 -1.393 10.064 1.00 0.00 N ATOM 939 CA GLY A 43 90.901 -1.292 11.333 1.00 0.00 C ATOM 940 C GLY A 43 90.172 0.022 11.476 1.00 0.00 C ATOM 941 O GLY A 43 90.255 0.880 10.600 1.00 0.00 O ATOM 0 H GLY A 43 91.984 -0.520 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 43 90.191 -2.113 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.622 -1.398 12.144 1.00 0.00 H new ATOM 945 N PHE A 44 89.454 0.187 12.573 1.00 0.00 N ATOM 946 CA PHE A 44 88.737 1.424 12.834 1.00 0.00 C ATOM 947 C PHE A 44 89.270 2.085 14.093 1.00 0.00 C ATOM 948 O PHE A 44 89.571 1.412 15.081 1.00 0.00 O ATOM 949 CB PHE A 44 87.231 1.169 12.955 1.00 0.00 C ATOM 950 CG PHE A 44 86.582 0.780 11.655 1.00 0.00 C ATOM 951 CD1 PHE A 44 86.559 -0.543 11.244 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.998 1.741 10.843 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.965 -0.902 10.049 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.403 1.387 9.647 1.00 0.00 C ATOM 955 CZ PHE A 44 85.387 0.064 9.250 1.00 0.00 C ATOM 0 H PHE A 44 89.352 -0.522 13.299 1.00 0.00 H new ATOM 0 HA PHE A 44 88.897 2.097 11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 44 87.062 0.379 13.687 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.748 2.068 13.338 1.00 0.00 H new ATOM 0 HD1 PHE A 44 87.011 -1.303 11.865 1.00 0.00 H new ATOM 0 HD2 PHE A 44 86.008 2.777 11.149 1.00 0.00 H new ATOM 0 HE1 PHE A 44 85.953 -1.937 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.951 2.144 9.023 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.923 -0.214 8.315 1.00 0.00 H new ATOM 965 N ASP A 45 89.391 3.398 14.042 1.00 0.00 N ATOM 966 CA ASP A 45 89.972 4.169 15.133 1.00 0.00 C ATOM 967 C ASP A 45 89.446 5.599 15.075 1.00 0.00 C ATOM 968 O ASP A 45 88.701 5.945 14.156 1.00 0.00 O ATOM 969 CB ASP A 45 91.506 4.137 15.015 1.00 0.00 C ATOM 970 CG ASP A 45 92.224 4.897 16.114 1.00 0.00 C ATOM 971 OD1 ASP A 45 91.921 4.666 17.305 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.109 5.716 15.787 1.00 0.00 O ATOM 0 H ASP A 45 89.091 3.962 13.247 1.00 0.00 H new ATOM 0 HA ASP A 45 89.691 3.738 16.094 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.840 3.099 15.027 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.795 4.554 14.050 1.00 0.00 H new ATOM 977 N ASP A 46 89.800 6.416 16.053 1.00 0.00 N ATOM 978 CA ASP A 46 89.430 7.824 16.030 1.00 0.00 C ATOM 979 C ASP A 46 90.463 8.592 15.204 1.00 0.00 C ATOM 980 O ASP A 46 91.255 7.993 14.476 1.00 0.00 O ATOM 981 CB ASP A 46 89.342 8.387 17.456 1.00 0.00 C ATOM 982 CG ASP A 46 88.414 9.588 17.559 1.00 0.00 C ATOM 983 OD1 ASP A 46 88.807 10.697 17.140 1.00 0.00 O ATOM 984 OD2 ASP A 46 87.290 9.430 18.072 1.00 0.00 O ATOM 0 H ASP A 46 90.341 6.132 16.870 1.00 0.00 H new ATOM 0 HA ASP A 46 88.446 7.935 15.574 1.00 0.00 H new ATOM 0 HB2 ASP A 46 88.993 7.605 18.130 1.00 0.00 H new ATOM 0 HB3 ASP A 46 90.339 8.674 17.791 1.00 0.00 H new ATOM 989 N LEU A 47 90.460 9.905 15.316 1.00 0.00 N ATOM 990 CA LEU A 47 91.355 10.739 14.536 1.00 0.00 C ATOM 991 C LEU A 47 92.544 11.208 15.363 1.00 0.00 C ATOM 992 O LEU A 47 92.505 11.215 16.596 1.00 0.00 O ATOM 993 CB LEU A 47 90.600 11.952 13.986 1.00 0.00 C ATOM 994 CG LEU A 47 89.610 11.650 12.862 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.821 12.900 12.506 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.345 11.119 11.641 1.00 0.00 C ATOM 0 H LEU A 47 89.844 10.421 15.944 1.00 0.00 H new ATOM 0 HA LEU A 47 91.732 10.137 13.709 1.00 0.00 H new ATOM 0 HB2 LEU A 47 90.060 12.426 14.806 1.00 0.00 H new ATOM 0 HB3 LEU A 47 91.327 12.678 13.622 1.00 0.00 H new ATOM 0 HG LEU A 47 88.912 10.886 13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.119 12.671 11.704 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.271 13.245 13.382 1.00 0.00 H new ATOM 0 HD13 LEU A 47 89.506 13.681 12.177 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.628 10.908 10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 47 91.061 11.865 11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.874 10.203 11.905 1.00 0.00 H new ATOM 1008 N THR A 48 93.599 11.581 14.664 1.00 0.00 N ATOM 1009 CA THR A 48 94.773 12.176 15.270 1.00 0.00 C ATOM 1010 C THR A 48 95.136 13.434 14.480 1.00 0.00 C ATOM 1011 O THR A 48 94.313 13.929 13.707 1.00 0.00 O ATOM 1012 CB THR A 48 95.951 11.171 15.303 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.898 10.304 14.159 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.920 10.336 16.574 1.00 0.00 C ATOM 0 H THR A 48 93.665 11.478 13.651 1.00 0.00 H new ATOM 0 HA THR A 48 94.560 12.444 16.305 1.00 0.00 H new ATOM 0 HB THR A 48 96.879 11.742 15.283 1.00 0.00 H new ATOM 0 HG1 THR A 48 95.910 10.842 13.340 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.758 9.639 16.572 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.996 10.991 17.442 1.00 0.00 H new ATOM 0 HG23 THR A 48 94.984 9.779 16.621 1.00 0.00 H new ATOM 1022 N GLU A 49 96.329 13.974 14.665 1.00 0.00 N ATOM 1023 CA GLU A 49 96.735 15.141 13.892 1.00 0.00 C ATOM 1024 C GLU A 49 97.891 14.798 12.953 1.00 0.00 C ATOM 1025 O GLU A 49 98.367 15.643 12.196 1.00 0.00 O ATOM 1026 CB GLU A 49 97.130 16.291 14.822 1.00 0.00 C ATOM 1027 CG GLU A 49 97.174 17.640 14.126 1.00 0.00 C ATOM 1028 CD GLU A 49 95.806 18.097 13.659 1.00 0.00 C ATOM 1029 OE1 GLU A 49 95.364 17.671 12.568 1.00 0.00 O ATOM 1030 OE2 GLU A 49 95.169 18.886 14.385 1.00 0.00 O ATOM 0 H GLU A 49 97.023 13.633 15.330 1.00 0.00 H new ATOM 0 HA GLU A 49 95.885 15.457 13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 49 96.421 16.340 15.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 98.109 16.080 15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 97.589 18.383 14.807 1.00 0.00 H new ATOM 0 HG3 GLU A 49 97.846 17.582 13.270 1.00 0.00 H new ATOM 1037 N ASP A 50 98.324 13.549 12.985 1.00 0.00 N ATOM 1038 CA ASP A 50 99.495 13.134 12.221 1.00 0.00 C ATOM 1039 C ASP A 50 99.098 12.240 11.044 1.00 0.00 C ATOM 1040 O ASP A 50 99.930 11.877 10.216 1.00 0.00 O ATOM 1041 CB ASP A 50 100.479 12.405 13.146 1.00 0.00 C ATOM 1042 CG ASP A 50 101.828 12.148 12.501 1.00 0.00 C ATOM 1043 OD1 ASP A 50 102.524 13.127 12.154 1.00 0.00 O ATOM 1044 OD2 ASP A 50 102.206 10.970 12.350 1.00 0.00 O ATOM 0 H ASP A 50 97.886 12.805 13.529 1.00 0.00 H new ATOM 0 HA ASP A 50 99.977 14.021 11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 50 100.623 12.996 14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 50 100.043 11.454 13.452 1.00 0.00 H new ATOM 1049 N ASP A 51 97.811 11.915 10.962 1.00 0.00 N ATOM 1050 CA ASP A 51 97.304 11.004 9.939 1.00 0.00 C ATOM 1051 C ASP A 51 97.040 11.721 8.622 1.00 0.00 C ATOM 1052 O ASP A 51 96.607 12.874 8.603 1.00 0.00 O ATOM 1053 CB ASP A 51 96.014 10.331 10.419 1.00 0.00 C ATOM 1054 CG ASP A 51 95.038 11.325 11.016 1.00 0.00 C ATOM 1055 OD1 ASP A 51 95.235 11.701 12.184 1.00 0.00 O ATOM 1056 OD2 ASP A 51 94.088 11.740 10.331 1.00 0.00 O ATOM 0 H ASP A 51 97.096 12.271 11.596 1.00 0.00 H new ATOM 0 HA ASP A 51 98.073 10.250 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.541 9.818 9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.257 9.572 11.162 1.00 0.00 H new ATOM 1061 N ILE A 52 97.318 11.030 7.526 1.00 0.00 N ATOM 1062 CA ILE A 52 96.991 11.526 6.201 1.00 0.00 C ATOM 1063 C ILE A 52 95.580 11.079 5.839 1.00 0.00 C ATOM 1064 O ILE A 52 95.258 9.891 5.915 1.00 0.00 O ATOM 1065 CB ILE A 52 98.003 11.031 5.144 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.400 11.568 5.478 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.577 11.459 3.744 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.469 11.180 4.479 1.00 0.00 C ATOM 0 H ILE A 52 97.773 10.117 7.531 1.00 0.00 H new ATOM 0 HA ILE A 52 97.043 12.615 6.212 1.00 0.00 H new ATOM 0 HB ILE A 52 98.030 9.941 5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.354 12.655 5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.691 11.205 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 52 98.305 11.099 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.598 11.037 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.524 12.547 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.426 11.600 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.547 10.094 4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 52 100.205 11.567 3.495 1.00 0.00 H new ATOM 1080 N ARG A 53 94.748 12.031 5.455 1.00 0.00 N ATOM 1081 CA ARG A 53 93.316 11.795 5.347 1.00 0.00 C ATOM 1082 C ARG A 53 92.844 11.828 3.896 1.00 0.00 C ATOM 1083 O ARG A 53 93.184 12.738 3.138 1.00 0.00 O ATOM 1084 CB ARG A 53 92.583 12.853 6.173 1.00 0.00 C ATOM 1085 CG ARG A 53 93.127 12.958 7.590 1.00 0.00 C ATOM 1086 CD ARG A 53 92.648 14.201 8.317 1.00 0.00 C ATOM 1087 NE ARG A 53 93.293 14.324 9.624 1.00 0.00 N ATOM 1088 CZ ARG A 53 93.617 15.481 10.200 1.00 0.00 C ATOM 1089 NH1 ARG A 53 93.328 16.632 9.603 1.00 0.00 N ATOM 1090 NH2 ARG A 53 94.228 15.485 11.378 1.00 0.00 N ATOM 0 H ARG A 53 95.039 12.978 5.212 1.00 0.00 H new ATOM 0 HA ARG A 53 93.094 10.799 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.671 13.821 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.521 12.610 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.828 12.075 8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 53 94.216 12.960 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 53 92.864 15.084 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.566 14.159 8.444 1.00 0.00 H new ATOM 0 HE ARG A 53 93.510 13.465 10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 53 92.856 16.633 8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 53 93.578 17.515 10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 53 94.449 14.603 11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 53 94.477 16.370 11.820 1.00 0.00 H new ATOM 1104 N LEU A 54 92.072 10.821 3.516 1.00 0.00 N ATOM 1105 CA LEU A 54 91.457 10.773 2.199 1.00 0.00 C ATOM 1106 C LEU A 54 90.034 10.243 2.312 1.00 0.00 C ATOM 1107 O LEU A 54 89.803 9.140 2.809 1.00 0.00 O ATOM 1108 CB LEU A 54 92.278 9.921 1.218 1.00 0.00 C ATOM 1109 CG LEU A 54 92.544 8.475 1.641 1.00 0.00 C ATOM 1110 CD1 LEU A 54 92.509 7.568 0.427 1.00 0.00 C ATOM 1111 CD2 LEU A 54 93.894 8.355 2.334 1.00 0.00 C ATOM 0 H LEU A 54 91.855 10.019 4.108 1.00 0.00 H new ATOM 0 HA LEU A 54 91.431 11.787 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 54 91.760 9.908 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 54 93.237 10.413 1.056 1.00 0.00 H new ATOM 0 HG LEU A 54 91.766 8.173 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.699 6.540 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 54 91.529 7.630 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.274 7.881 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 54 94.062 7.318 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.683 8.672 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.905 8.988 3.221 1.00 0.00 H new ATOM 1123 N THR A 55 89.082 11.040 1.867 1.00 0.00 N ATOM 1124 CA THR A 55 87.681 10.684 1.984 1.00 0.00 C ATOM 1125 C THR A 55 87.174 10.009 0.712 1.00 0.00 C ATOM 1126 O THR A 55 87.379 10.508 -0.395 1.00 0.00 O ATOM 1127 CB THR A 55 86.829 11.933 2.272 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.484 12.746 3.256 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.446 11.544 2.772 1.00 0.00 C ATOM 0 H THR A 55 89.254 11.941 1.420 1.00 0.00 H new ATOM 0 HA THR A 55 87.589 9.982 2.813 1.00 0.00 H new ATOM 0 HB THR A 55 86.716 12.494 1.344 1.00 0.00 H new ATOM 0 HG1 THR A 55 88.007 12.175 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 55 84.864 12.444 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 55 84.941 10.943 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.541 10.966 3.691 1.00 0.00 H new ATOM 1137 N SER A 56 86.529 8.866 0.881 1.00 0.00 N ATOM 1138 CA SER A 56 85.884 8.178 -0.222 1.00 0.00 C ATOM 1139 C SER A 56 84.429 8.633 -0.324 1.00 0.00 C ATOM 1140 O SER A 56 84.023 9.567 0.364 1.00 0.00 O ATOM 1141 CB SER A 56 85.959 6.666 -0.008 1.00 0.00 C ATOM 1142 OG SER A 56 87.293 6.253 0.220 1.00 0.00 O ATOM 0 H SER A 56 86.439 8.393 1.780 1.00 0.00 H new ATOM 0 HA SER A 56 86.397 8.420 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 56 85.337 6.384 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 56 85.559 6.151 -0.881 1.00 0.00 H new ATOM 0 HG SER A 56 87.316 5.283 0.356 1.00 0.00 H new ATOM 1148 N GLU A 57 83.644 7.964 -1.160 1.00 0.00 N ATOM 1149 CA GLU A 57 82.251 8.348 -1.373 1.00 0.00 C ATOM 1150 C GLU A 57 81.403 8.112 -0.115 1.00 0.00 C ATOM 1151 O GLU A 57 80.327 8.690 0.037 1.00 0.00 O ATOM 1152 CB GLU A 57 81.675 7.583 -2.570 1.00 0.00 C ATOM 1153 CG GLU A 57 80.251 7.979 -2.916 1.00 0.00 C ATOM 1154 CD GLU A 57 79.804 7.446 -4.258 1.00 0.00 C ATOM 1155 OE1 GLU A 57 80.000 8.148 -5.272 1.00 0.00 O ATOM 1156 OE2 GLU A 57 79.244 6.336 -4.305 1.00 0.00 O ATOM 0 H GLU A 57 83.946 7.154 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 57 82.221 9.416 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 57 82.311 7.752 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 57 81.704 6.515 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 57 79.578 7.611 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 57 80.171 9.066 -2.917 1.00 0.00 H new ATOM 1163 N GLY A 58 81.887 7.264 0.782 1.00 0.00 N ATOM 1164 CA GLY A 58 81.175 7.022 2.023 1.00 0.00 C ATOM 1165 C GLY A 58 82.074 6.490 3.121 1.00 0.00 C ATOM 1166 O GLY A 58 81.598 5.874 4.071 1.00 0.00 O ATOM 0 H GLY A 58 82.756 6.741 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 58 80.711 7.950 2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.370 6.310 1.842 1.00 0.00 H new ATOM 1170 N VAL A 59 83.376 6.729 2.997 1.00 0.00 N ATOM 1171 CA VAL A 59 84.348 6.214 3.960 1.00 0.00 C ATOM 1172 C VAL A 59 85.466 7.228 4.188 1.00 0.00 C ATOM 1173 O VAL A 59 86.053 7.732 3.235 1.00 0.00 O ATOM 1174 CB VAL A 59 84.985 4.878 3.485 1.00 0.00 C ATOM 1175 CG1 VAL A 59 86.003 4.375 4.499 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.927 3.814 3.232 1.00 0.00 C ATOM 0 H VAL A 59 83.784 7.276 2.239 1.00 0.00 H new ATOM 0 HA VAL A 59 83.805 6.035 4.888 1.00 0.00 H new ATOM 0 HB VAL A 59 85.496 5.077 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.436 3.439 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.792 5.117 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.511 4.208 5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.408 2.894 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.375 3.624 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.239 4.161 2.461 1.00 0.00 H new ATOM 1186 N GLU A 60 85.743 7.537 5.447 1.00 0.00 N ATOM 1187 CA GLU A 60 86.865 8.403 5.791 1.00 0.00 C ATOM 1188 C GLU A 60 88.095 7.546 6.070 1.00 0.00 C ATOM 1189 O GLU A 60 88.093 6.733 6.996 1.00 0.00 O ATOM 1190 CB GLU A 60 86.526 9.250 7.021 1.00 0.00 C ATOM 1191 CG GLU A 60 87.548 10.336 7.323 1.00 0.00 C ATOM 1192 CD GLU A 60 87.535 11.450 6.297 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.711 12.377 6.436 1.00 0.00 O ATOM 1194 OE2 GLU A 60 88.349 11.410 5.352 1.00 0.00 O ATOM 0 H GLU A 60 85.207 7.202 6.248 1.00 0.00 H new ATOM 0 HA GLU A 60 87.070 9.073 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.551 9.714 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.439 8.595 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 60 87.348 10.754 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.543 9.893 7.360 1.00 0.00 H new ATOM 1201 N ILE A 61 89.130 7.708 5.260 1.00 0.00 N ATOM 1202 CA ILE A 61 90.333 6.897 5.387 1.00 0.00 C ATOM 1203 C ILE A 61 91.487 7.716 5.954 1.00 0.00 C ATOM 1204 O ILE A 61 91.799 8.795 5.447 1.00 0.00 O ATOM 1205 CB ILE A 61 90.766 6.319 4.024 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.609 5.562 3.365 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.971 5.402 4.195 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.933 5.064 1.974 1.00 0.00 C ATOM 0 H ILE A 61 89.162 8.395 4.506 1.00 0.00 H new ATOM 0 HA ILE A 61 90.093 6.080 6.067 1.00 0.00 H new ATOM 0 HB ILE A 61 91.048 7.148 3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.335 4.714 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.738 6.216 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.264 5.002 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.800 5.967 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.711 4.580 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.070 4.537 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.178 5.910 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.784 4.385 2.020 1.00 0.00 H new ATOM 1220 N VAL A 62 92.118 7.204 7.002 1.00 0.00 N ATOM 1221 CA VAL A 62 93.300 7.842 7.561 1.00 0.00 C ATOM 1222 C VAL A 62 94.474 6.870 7.589 1.00 0.00 C ATOM 1223 O VAL A 62 94.364 5.742 8.079 1.00 0.00 O ATOM 1224 CB VAL A 62 93.056 8.412 8.978 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.065 9.559 8.922 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.567 7.337 9.936 1.00 0.00 C ATOM 0 H VAL A 62 91.831 6.350 7.481 1.00 0.00 H new ATOM 0 HA VAL A 62 93.537 8.682 6.908 1.00 0.00 H new ATOM 0 HB VAL A 62 94.009 8.784 9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.903 9.950 9.927 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.460 10.350 8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.119 9.203 8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.406 7.774 10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.630 6.920 9.567 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.314 6.546 10.007 1.00 0.00 H new ATOM 1236 N ILE A 63 95.597 7.305 7.043 1.00 0.00 N ATOM 1237 CA ILE A 63 96.788 6.476 6.989 1.00 0.00 C ATOM 1238 C ILE A 63 97.977 7.226 7.572 1.00 0.00 C ATOM 1239 O ILE A 63 98.179 8.405 7.282 1.00 0.00 O ATOM 1240 CB ILE A 63 97.121 6.045 5.542 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.929 5.323 4.909 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.354 5.153 5.527 1.00 0.00 C ATOM 1243 CD1 ILE A 63 96.136 4.966 3.453 1.00 0.00 C ATOM 0 H ILE A 63 95.708 8.231 6.630 1.00 0.00 H new ATOM 0 HA ILE A 63 96.587 5.581 7.577 1.00 0.00 H new ATOM 0 HB ILE A 63 97.332 6.938 4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.727 4.412 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 63 95.045 5.954 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.577 4.857 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.203 5.698 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.167 4.264 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.250 4.457 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.307 5.875 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 63 97.000 4.308 3.359 1.00 0.00 H new ATOM 1255 N ALA A 64 98.746 6.547 8.406 1.00 0.00 N ATOM 1256 CA ALA A 64 99.951 7.131 8.969 1.00 0.00 C ATOM 1257 C ALA A 64 101.034 7.244 7.895 1.00 0.00 C ATOM 1258 O ALA A 64 101.227 6.320 7.101 1.00 0.00 O ATOM 1259 CB ALA A 64 100.426 6.305 10.151 1.00 0.00 C ATOM 0 H ALA A 64 98.557 5.591 8.708 1.00 0.00 H new ATOM 0 HA ALA A 64 99.730 8.136 9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.330 6.751 10.566 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.649 6.282 10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.641 5.288 9.822 1.00 0.00 H new ATOM 1265 N PRO A 65 101.744 8.388 7.863 1.00 0.00 N ATOM 1266 CA PRO A 65 102.714 8.723 6.803 1.00 0.00 C ATOM 1267 C PRO A 65 103.720 7.613 6.484 1.00 0.00 C ATOM 1268 O PRO A 65 104.093 7.427 5.329 1.00 0.00 O ATOM 1269 CB PRO A 65 103.435 9.946 7.366 1.00 0.00 C ATOM 1270 CG PRO A 65 102.431 10.591 8.251 1.00 0.00 C ATOM 1271 CD PRO A 65 101.645 9.467 8.866 1.00 0.00 C ATOM 0 HA PRO A 65 102.205 8.886 5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.329 9.660 7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.755 10.620 6.571 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.916 11.194 9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.781 11.258 7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 65 102.063 9.163 9.825 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.609 9.753 9.046 1.00 0.00 H new ATOM 1279 N ASP A 66 104.157 6.872 7.494 1.00 0.00 N ATOM 1280 CA ASP A 66 105.163 5.834 7.281 1.00 0.00 C ATOM 1281 C ASP A 66 104.555 4.624 6.579 1.00 0.00 C ATOM 1282 O ASP A 66 105.190 3.998 5.732 1.00 0.00 O ATOM 1283 CB ASP A 66 105.786 5.403 8.607 1.00 0.00 C ATOM 1284 CG ASP A 66 107.053 4.599 8.408 1.00 0.00 C ATOM 1285 OD1 ASP A 66 108.065 5.191 7.970 1.00 0.00 O ATOM 1286 OD2 ASP A 66 107.053 3.386 8.705 1.00 0.00 O ATOM 0 H ASP A 66 103.837 6.966 8.458 1.00 0.00 H new ATOM 0 HA ASP A 66 105.943 6.253 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.008 6.286 9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 66 105.065 4.809 9.169 1.00 0.00 H new ATOM 1291 N TYR A 67 103.307 4.322 6.913 1.00 0.00 N ATOM 1292 CA TYR A 67 102.614 3.176 6.333 1.00 0.00 C ATOM 1293 C TYR A 67 102.214 3.479 4.895 1.00 0.00 C ATOM 1294 O TYR A 67 101.944 2.572 4.107 1.00 0.00 O ATOM 1295 CB TYR A 67 101.377 2.825 7.158 1.00 0.00 C ATOM 1296 CG TYR A 67 101.691 2.455 8.588 1.00 0.00 C ATOM 1297 CD1 TYR A 67 102.002 3.432 9.517 1.00 0.00 C ATOM 1298 CD2 TYR A 67 101.674 1.132 9.007 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.288 3.110 10.825 1.00 0.00 C ATOM 1300 CE2 TYR A 67 101.960 0.798 10.319 1.00 0.00 C ATOM 1301 CZ TYR A 67 102.268 1.794 11.223 1.00 0.00 C ATOM 1302 OH TYR A 67 102.554 1.475 12.531 1.00 0.00 O ATOM 0 H TYR A 67 102.752 4.855 7.583 1.00 0.00 H new ATOM 0 HA TYR A 67 103.291 2.322 6.341 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.694 3.674 7.153 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.857 1.994 6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.021 4.467 9.210 1.00 0.00 H new ATOM 0 HD2 TYR A 67 101.434 0.352 8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 67 102.527 3.888 11.535 1.00 0.00 H new ATOM 0 HE2 TYR A 67 101.942 -0.235 10.633 1.00 0.00 H new ATOM 0 HH TYR A 67 102.496 0.504 12.651 1.00 0.00 H new ATOM 1312 N VAL A 68 102.184 4.768 4.567 1.00 0.00 N ATOM 1313 CA VAL A 68 101.906 5.222 3.208 1.00 0.00 C ATOM 1314 C VAL A 68 102.891 4.606 2.214 1.00 0.00 C ATOM 1315 O VAL A 68 102.535 4.315 1.076 1.00 0.00 O ATOM 1316 CB VAL A 68 101.969 6.763 3.116 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.852 7.242 1.677 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.878 7.385 3.971 1.00 0.00 C ATOM 0 H VAL A 68 102.351 5.523 5.232 1.00 0.00 H new ATOM 0 HA VAL A 68 100.898 4.896 2.953 1.00 0.00 H new ATOM 0 HB VAL A 68 102.941 7.081 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.900 8.331 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.671 6.828 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.901 6.911 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.933 8.471 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.903 7.047 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 68 101.014 7.084 5.010 1.00 0.00 H new ATOM 1328 N SER A 69 104.115 4.366 2.673 1.00 0.00 N ATOM 1329 CA SER A 69 105.154 3.779 1.833 1.00 0.00 C ATOM 1330 C SER A 69 104.744 2.397 1.318 1.00 0.00 C ATOM 1331 O SER A 69 105.279 1.908 0.323 1.00 0.00 O ATOM 1332 CB SER A 69 106.459 3.677 2.625 1.00 0.00 C ATOM 1333 OG SER A 69 106.814 4.935 3.178 1.00 0.00 O ATOM 0 H SER A 69 104.413 4.570 3.627 1.00 0.00 H new ATOM 0 HA SER A 69 105.299 4.427 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.349 2.942 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.258 3.323 1.974 1.00 0.00 H new ATOM 0 HG SER A 69 106.464 5.001 4.091 1.00 0.00 H new ATOM 1339 N LEU A 70 103.785 1.778 1.992 1.00 0.00 N ATOM 1340 CA LEU A 70 103.340 0.445 1.627 1.00 0.00 C ATOM 1341 C LEU A 70 101.902 0.463 1.110 1.00 0.00 C ATOM 1342 O LEU A 70 101.549 -0.291 0.206 1.00 0.00 O ATOM 1343 CB LEU A 70 103.455 -0.484 2.838 1.00 0.00 C ATOM 1344 CG LEU A 70 104.843 -0.534 3.484 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.824 -1.405 4.729 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.874 -1.047 2.489 1.00 0.00 C ATOM 0 H LEU A 70 103.301 2.180 2.795 1.00 0.00 H new ATOM 0 HA LEU A 70 103.978 0.077 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.732 -0.168 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.176 -1.492 2.532 1.00 0.00 H new ATOM 0 HG LEU A 70 105.121 0.478 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.819 -1.427 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.115 -0.996 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.524 -2.418 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.855 -1.076 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.598 -2.050 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.909 -0.382 1.626 1.00 0.00 H new ATOM 1358 N LEU A 71 101.089 1.351 1.675 1.00 0.00 N ATOM 1359 CA LEU A 71 99.655 1.386 1.391 1.00 0.00 C ATOM 1360 C LEU A 71 99.311 2.255 0.182 1.00 0.00 C ATOM 1361 O LEU A 71 98.167 2.257 -0.277 1.00 0.00 O ATOM 1362 CB LEU A 71 98.897 1.897 2.619 1.00 0.00 C ATOM 1363 CG LEU A 71 98.807 0.912 3.784 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.318 1.613 5.039 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.879 -0.237 3.427 1.00 0.00 C ATOM 0 H LEU A 71 101.401 2.061 2.337 1.00 0.00 H new ATOM 0 HA LEU A 71 99.353 0.366 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.380 2.808 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.886 2.169 2.315 1.00 0.00 H new ATOM 0 HG LEU A 71 99.803 0.513 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.260 0.896 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 71 99.012 2.411 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.330 2.037 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 71 97.822 -0.933 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 71 96.884 0.152 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.264 -0.756 2.549 1.00 0.00 H new ATOM 1377 N ASP A 72 100.279 2.997 -0.336 1.00 0.00 N ATOM 1378 CA ASP A 72 100.009 3.875 -1.470 1.00 0.00 C ATOM 1379 C ASP A 72 99.937 3.074 -2.762 1.00 0.00 C ATOM 1380 O ASP A 72 100.475 1.968 -2.843 1.00 0.00 O ATOM 1381 CB ASP A 72 101.064 4.975 -1.587 1.00 0.00 C ATOM 1382 CG ASP A 72 100.657 6.041 -2.586 1.00 0.00 C ATOM 1383 OD1 ASP A 72 99.448 6.355 -2.655 1.00 0.00 O ATOM 1384 OD2 ASP A 72 101.533 6.551 -3.313 1.00 0.00 O ATOM 0 H ASP A 72 101.242 3.011 0.001 1.00 0.00 H new ATOM 0 HA ASP A 72 99.044 4.351 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.222 5.433 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.015 4.536 -1.890 1.00 0.00 H new ATOM 1389 N GLN A 73 99.234 3.631 -3.751 1.00 0.00 N ATOM 1390 CA GLN A 73 99.031 2.992 -5.060 1.00 0.00 C ATOM 1391 C GLN A 73 98.247 1.684 -4.935 1.00 0.00 C ATOM 1392 O GLN A 73 98.070 0.956 -5.914 1.00 0.00 O ATOM 1393 CB GLN A 73 100.369 2.739 -5.764 1.00 0.00 C ATOM 1394 CG GLN A 73 101.189 4.000 -5.984 1.00 0.00 C ATOM 1395 CD GLN A 73 102.425 3.759 -6.830 1.00 0.00 C ATOM 1396 OE1 GLN A 73 103.003 2.671 -6.826 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.838 4.779 -7.563 1.00 0.00 N ATOM 0 H GLN A 73 98.786 4.543 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 73 98.443 3.683 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.954 2.034 -5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.179 2.266 -6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.566 4.753 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.489 4.405 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 73 102.331 5.664 -7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.664 4.681 -8.154 1.00 0.00 H new ATOM 1406 N THR A 74 97.757 1.404 -3.741 1.00 0.00 N ATOM 1407 CA THR A 74 97.055 0.166 -3.482 1.00 0.00 C ATOM 1408 C THR A 74 95.557 0.322 -3.737 1.00 0.00 C ATOM 1409 O THR A 74 94.921 1.250 -3.240 1.00 0.00 O ATOM 1410 CB THR A 74 97.298 -0.306 -2.037 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.707 -0.432 -1.802 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.617 -1.641 -1.775 1.00 0.00 C ATOM 0 H THR A 74 97.834 2.022 -2.934 1.00 0.00 H new ATOM 0 HA THR A 74 97.445 -0.587 -4.167 1.00 0.00 H new ATOM 0 HB THR A 74 96.874 0.435 -1.359 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.860 -0.731 -0.881 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.805 -1.950 -0.747 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.543 -1.539 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 74 97.014 -2.392 -2.458 1.00 0.00 H new ATOM 1420 N THR A 75 95.012 -0.575 -4.541 1.00 0.00 N ATOM 1421 CA THR A 75 93.583 -0.593 -4.802 1.00 0.00 C ATOM 1422 C THR A 75 92.913 -1.622 -3.897 1.00 0.00 C ATOM 1423 O THR A 75 93.458 -2.708 -3.677 1.00 0.00 O ATOM 1424 CB THR A 75 93.304 -0.921 -6.282 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.080 -0.047 -7.112 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.829 -0.763 -6.615 1.00 0.00 C ATOM 0 H THR A 75 95.539 -1.302 -5.025 1.00 0.00 H new ATOM 0 HA THR A 75 93.173 0.395 -4.591 1.00 0.00 H new ATOM 0 HB THR A 75 93.582 -1.959 -6.464 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.908 -0.253 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.666 -1.002 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.241 -1.439 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.521 0.265 -6.424 1.00 0.00 H new ATOM 1434 N LEU A 76 91.760 -1.271 -3.351 1.00 0.00 N ATOM 1435 CA LEU A 76 91.052 -2.148 -2.435 1.00 0.00 C ATOM 1436 C LEU A 76 89.810 -2.731 -3.092 1.00 0.00 C ATOM 1437 O LEU A 76 88.875 -2.002 -3.442 1.00 0.00 O ATOM 1438 CB LEU A 76 90.661 -1.390 -1.167 1.00 0.00 C ATOM 1439 CG LEU A 76 90.045 -2.251 -0.064 1.00 0.00 C ATOM 1440 CD1 LEU A 76 91.078 -3.221 0.488 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.484 -1.377 1.044 1.00 0.00 C ATOM 0 H LEU A 76 91.294 -0.381 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 76 91.720 -2.967 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.547 -0.896 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 76 89.952 -0.606 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 76 89.225 -2.828 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.625 -3.827 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.433 -3.870 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.918 -2.662 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.050 -2.007 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.285 -0.774 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.714 -0.722 0.636 1.00 0.00 H new ATOM 1453 N ASP A 77 89.811 -4.044 -3.256 1.00 0.00 N ATOM 1454 CA ASP A 77 88.673 -4.766 -3.809 1.00 0.00 C ATOM 1455 C ASP A 77 88.212 -5.818 -2.815 1.00 0.00 C ATOM 1456 O ASP A 77 88.902 -6.086 -1.834 1.00 0.00 O ATOM 1457 CB ASP A 77 89.037 -5.447 -5.133 1.00 0.00 C ATOM 1458 CG ASP A 77 89.427 -4.471 -6.221 1.00 0.00 C ATOM 1459 OD1 ASP A 77 88.524 -3.952 -6.913 1.00 0.00 O ATOM 1460 OD2 ASP A 77 90.641 -4.244 -6.415 1.00 0.00 O ATOM 0 H ASP A 77 90.601 -4.641 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 77 87.874 -4.049 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.862 -6.139 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.188 -6.040 -5.474 1.00 0.00 H new ATOM 1465 N TYR A 78 87.052 -6.409 -3.052 1.00 0.00 N ATOM 1466 CA TYR A 78 86.582 -7.485 -2.194 1.00 0.00 C ATOM 1467 C TYR A 78 86.226 -8.705 -3.035 1.00 0.00 C ATOM 1468 O TYR A 78 85.549 -8.594 -4.062 1.00 0.00 O ATOM 1469 CB TYR A 78 85.386 -7.038 -1.337 1.00 0.00 C ATOM 1470 CG TYR A 78 84.058 -7.001 -2.064 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.717 -5.936 -2.886 1.00 0.00 C ATOM 1472 CD2 TYR A 78 83.142 -8.037 -1.920 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.503 -5.905 -3.545 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.929 -8.014 -2.576 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.612 -6.946 -3.385 1.00 0.00 C ATOM 1476 OH TYR A 78 80.401 -6.919 -4.039 1.00 0.00 O ATOM 0 H TYR A 78 86.426 -6.167 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 78 87.387 -7.754 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.298 -7.711 -0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.594 -6.045 -0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.411 -5.119 -3.013 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.385 -8.875 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 78 82.253 -5.070 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 78 81.231 -8.830 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 78 79.893 -7.728 -3.820 1.00 0.00 H new ATOM 1486 N VAL A 79 86.716 -9.861 -2.617 1.00 0.00 N ATOM 1487 CA VAL A 79 86.446 -11.107 -3.318 1.00 0.00 C ATOM 1488 C VAL A 79 86.175 -12.219 -2.319 1.00 0.00 C ATOM 1489 O VAL A 79 86.592 -12.139 -1.160 1.00 0.00 O ATOM 1490 CB VAL A 79 87.618 -11.536 -4.238 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.893 -10.486 -5.304 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.872 -11.818 -3.423 1.00 0.00 C ATOM 0 H VAL A 79 87.306 -9.963 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 79 85.571 -10.932 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 79 87.325 -12.457 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.720 -10.815 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 79 87.002 -10.348 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 79 88.154 -9.542 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.680 -12.117 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 79 89.163 -10.919 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.672 -12.621 -2.713 1.00 0.00 H new ATOM 1502 N GLU A 80 85.479 -13.248 -2.758 1.00 0.00 N ATOM 1503 CA GLU A 80 85.202 -14.390 -1.909 1.00 0.00 C ATOM 1504 C GLU A 80 86.348 -15.397 -1.985 1.00 0.00 C ATOM 1505 O GLU A 80 86.366 -16.284 -2.838 1.00 0.00 O ATOM 1506 CB GLU A 80 83.862 -15.032 -2.292 1.00 0.00 C ATOM 1507 CG GLU A 80 83.729 -15.340 -3.771 1.00 0.00 C ATOM 1508 CD GLU A 80 82.330 -15.749 -4.161 1.00 0.00 C ATOM 1509 OE1 GLU A 80 82.019 -16.953 -4.105 1.00 0.00 O ATOM 1510 OE2 GLU A 80 81.535 -14.865 -4.538 1.00 0.00 O ATOM 0 H GLU A 80 85.094 -13.317 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 80 85.123 -14.052 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.738 -15.955 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.053 -14.365 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 80 84.020 -14.462 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 80 84.423 -16.138 -4.035 1.00 0.00 H new ATOM 1517 N LEU A 81 87.337 -15.215 -1.117 1.00 0.00 N ATOM 1518 CA LEU A 81 88.485 -16.117 -1.058 1.00 0.00 C ATOM 1519 C LEU A 81 88.070 -17.452 -0.461 1.00 0.00 C ATOM 1520 O LEU A 81 88.737 -18.471 -0.646 1.00 0.00 O ATOM 1521 CB LEU A 81 89.614 -15.502 -0.224 1.00 0.00 C ATOM 1522 CG LEU A 81 90.246 -14.235 -0.804 1.00 0.00 C ATOM 1523 CD1 LEU A 81 91.268 -13.660 0.163 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.896 -14.532 -2.148 1.00 0.00 C ATOM 0 H LEU A 81 87.368 -14.450 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 81 88.849 -16.276 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 81 89.225 -15.272 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.396 -16.250 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 81 89.459 -13.496 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.708 -12.759 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.779 -13.412 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.052 -14.396 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 81 91.341 -13.620 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 81 91.671 -15.287 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 90.142 -14.902 -2.843 1.00 0.00 H new ATOM 1536 N GLU A 82 86.958 -17.423 0.252 1.00 0.00 N ATOM 1537 CA GLU A 82 86.396 -18.606 0.873 1.00 0.00 C ATOM 1538 C GLU A 82 84.923 -18.702 0.501 1.00 0.00 C ATOM 1539 O GLU A 82 84.287 -17.677 0.250 1.00 0.00 O ATOM 1540 CB GLU A 82 86.574 -18.527 2.390 1.00 0.00 C ATOM 1541 CG GLU A 82 88.030 -18.403 2.811 1.00 0.00 C ATOM 1542 CD GLU A 82 88.190 -18.098 4.281 1.00 0.00 C ATOM 1543 OE1 GLU A 82 88.089 -16.914 4.659 1.00 0.00 O ATOM 1544 OE2 GLU A 82 88.432 -19.036 5.067 1.00 0.00 O ATOM 0 H GLU A 82 86.418 -16.573 0.416 1.00 0.00 H new ATOM 0 HA GLU A 82 86.911 -19.499 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 82 86.017 -17.671 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 82 86.144 -19.418 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 82 88.551 -19.332 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.506 -17.615 2.227 1.00 0.00 H new ATOM 1551 N PRO A 83 84.371 -19.923 0.436 1.00 0.00 N ATOM 1552 CA PRO A 83 82.986 -20.144 0.002 1.00 0.00 C ATOM 1553 C PRO A 83 81.973 -19.295 0.767 1.00 0.00 C ATOM 1554 O PRO A 83 81.699 -19.542 1.943 1.00 0.00 O ATOM 1555 CB PRO A 83 82.756 -21.630 0.279 1.00 0.00 C ATOM 1556 CG PRO A 83 84.114 -22.236 0.243 1.00 0.00 C ATOM 1557 CD PRO A 83 85.049 -21.187 0.775 1.00 0.00 C ATOM 0 HA PRO A 83 82.848 -19.861 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 83 82.280 -21.783 1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 83 82.103 -22.076 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 83 84.154 -23.140 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 83 84.387 -22.523 -0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 83 85.197 -21.288 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 83 86.033 -21.253 0.311 1.00 0.00 H new ATOM 1565 N GLY A 84 81.443 -18.280 0.091 1.00 0.00 N ATOM 1566 CA GLY A 84 80.421 -17.434 0.679 1.00 0.00 C ATOM 1567 C GLY A 84 80.982 -16.313 1.535 1.00 0.00 C ATOM 1568 O GLY A 84 80.225 -15.521 2.098 1.00 0.00 O ATOM 0 H GLY A 84 81.706 -18.027 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.814 -17.003 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.758 -18.048 1.288 1.00 0.00 H new ATOM 1572 N GLN A 85 82.303 -16.221 1.627 1.00 0.00 N ATOM 1573 CA GLN A 85 82.927 -15.236 2.502 1.00 0.00 C ATOM 1574 C GLN A 85 83.766 -14.241 1.708 1.00 0.00 C ATOM 1575 O GLN A 85 84.808 -14.591 1.151 1.00 0.00 O ATOM 1576 CB GLN A 85 83.789 -15.918 3.564 1.00 0.00 C ATOM 1577 CG GLN A 85 83.020 -16.910 4.418 1.00 0.00 C ATOM 1578 CD GLN A 85 83.807 -17.375 5.625 1.00 0.00 C ATOM 1579 OE1 GLN A 85 85.037 -17.414 5.606 1.00 0.00 O ATOM 1580 NE2 GLN A 85 83.103 -17.743 6.680 1.00 0.00 N ATOM 0 H GLN A 85 82.958 -16.810 1.112 1.00 0.00 H new ATOM 0 HA GLN A 85 82.126 -14.689 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 85 84.615 -16.435 3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 85 84.227 -15.157 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 85 82.089 -16.451 4.751 1.00 0.00 H new ATOM 0 HG3 GLN A 85 82.750 -17.774 3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 85 82.084 -17.696 6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 85 83.578 -18.075 7.520 1.00 0.00 H new ATOM 1589 N PHE A 86 83.303 -12.998 1.672 1.00 0.00 N ATOM 1590 CA PHE A 86 83.988 -11.937 0.945 1.00 0.00 C ATOM 1591 C PHE A 86 85.018 -11.251 1.837 1.00 0.00 C ATOM 1592 O PHE A 86 84.710 -10.855 2.961 1.00 0.00 O ATOM 1593 CB PHE A 86 82.976 -10.903 0.440 1.00 0.00 C ATOM 1594 CG PHE A 86 81.869 -11.490 -0.388 1.00 0.00 C ATOM 1595 CD1 PHE A 86 82.048 -11.724 -1.741 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.650 -11.813 0.188 1.00 0.00 C ATOM 1597 CE1 PHE A 86 81.033 -12.266 -2.504 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.631 -12.356 -0.570 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.824 -12.583 -1.918 1.00 0.00 C ATOM 0 H PHE A 86 82.449 -12.698 2.142 1.00 0.00 H new ATOM 0 HA PHE A 86 84.502 -12.384 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.542 -10.386 1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.501 -10.154 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.992 -11.480 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.495 -11.638 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 86 81.185 -12.442 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.686 -12.602 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 86 79.030 -13.008 -2.514 1.00 0.00 H new ATOM 1609 N HIS A 87 86.234 -11.113 1.328 1.00 0.00 N ATOM 1610 CA HIS A 87 87.313 -10.471 2.072 1.00 0.00 C ATOM 1611 C HIS A 87 87.860 -9.282 1.298 1.00 0.00 C ATOM 1612 O HIS A 87 87.765 -9.236 0.068 1.00 0.00 O ATOM 1613 CB HIS A 87 88.456 -11.455 2.350 1.00 0.00 C ATOM 1614 CG HIS A 87 88.119 -12.539 3.324 1.00 0.00 C ATOM 1615 ND1 HIS A 87 88.464 -12.488 4.654 1.00 0.00 N ATOM 1616 CD2 HIS A 87 87.486 -13.720 3.148 1.00 0.00 C ATOM 1617 CE1 HIS A 87 88.061 -13.590 5.253 1.00 0.00 C ATOM 1618 NE2 HIS A 87 87.463 -14.360 4.363 1.00 0.00 N ATOM 0 H HIS A 87 86.501 -11.438 0.399 1.00 0.00 H new ATOM 0 HA HIS A 87 86.899 -10.132 3.021 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.762 -11.912 1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 87 89.314 -10.898 2.728 1.00 0.00 H new ATOM 0 HD2 HIS A 87 87.074 -14.092 2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 87 88.197 -13.824 6.298 1.00 0.00 H new ATOM 0 HE2 HIS A 87 87.053 -15.276 4.547 1.00 0.00 H new ATOM 1627 N PHE A 88 88.433 -8.332 2.023 1.00 0.00 N ATOM 1628 CA PHE A 88 89.056 -7.167 1.412 1.00 0.00 C ATOM 1629 C PHE A 88 90.470 -7.508 0.963 1.00 0.00 C ATOM 1630 O PHE A 88 91.325 -7.856 1.778 1.00 0.00 O ATOM 1631 CB PHE A 88 89.099 -5.997 2.398 1.00 0.00 C ATOM 1632 CG PHE A 88 87.746 -5.494 2.810 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.074 -4.566 2.033 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.150 -5.945 3.977 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.831 -4.097 2.411 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.907 -5.479 4.361 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.247 -4.555 3.577 1.00 0.00 C ATOM 0 H PHE A 88 88.479 -8.346 3.042 1.00 0.00 H new ATOM 0 HA PHE A 88 88.461 -6.874 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.647 -6.306 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.658 -5.177 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.527 -4.205 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.663 -6.669 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.316 -3.373 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.453 -5.837 5.273 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.275 -4.190 3.874 1.00 0.00 H new ATOM 1647 N ILE A 89 90.713 -7.420 -0.331 1.00 0.00 N ATOM 1648 CA ILE A 89 92.022 -7.730 -0.875 1.00 0.00 C ATOM 1649 C ILE A 89 92.725 -6.467 -1.347 1.00 0.00 C ATOM 1650 O ILE A 89 92.111 -5.575 -1.939 1.00 0.00 O ATOM 1651 CB ILE A 89 91.946 -8.740 -2.041 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.052 -8.206 -3.166 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.443 -10.085 -1.540 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.087 -9.048 -4.422 1.00 0.00 C ATOM 0 H ILE A 89 90.021 -7.136 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 89 92.594 -8.187 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 89 92.948 -8.877 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.025 -8.149 -2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.360 -7.190 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.394 -10.788 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.124 -10.468 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.449 -9.964 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.431 -8.609 -5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.106 -9.084 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.750 -10.059 -4.192 1.00 0.00 H new ATOM 1666 N PHE A 90 94.014 -6.391 -1.071 1.00 0.00 N ATOM 1667 CA PHE A 90 94.821 -5.263 -1.492 1.00 0.00 C ATOM 1668 C PHE A 90 95.519 -5.601 -2.801 1.00 0.00 C ATOM 1669 O PHE A 90 96.275 -6.567 -2.873 1.00 0.00 O ATOM 1670 CB PHE A 90 95.840 -4.906 -0.407 1.00 0.00 C ATOM 1671 CG PHE A 90 95.206 -4.445 0.879 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.761 -5.363 1.819 1.00 0.00 C ATOM 1673 CD2 PHE A 90 95.054 -3.094 1.146 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.175 -4.941 2.999 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.469 -2.666 2.323 1.00 0.00 C ATOM 1676 CZ PHE A 90 94.029 -3.590 3.251 1.00 0.00 C ATOM 0 H PHE A 90 94.527 -7.104 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 90 94.179 -4.396 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.464 -5.776 -0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.498 -4.122 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.873 -6.420 1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 90 95.397 -2.366 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.832 -5.666 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 90 94.356 -1.610 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.572 -3.257 4.171 1.00 0.00 H new ATOM 1686 N LEU A 91 95.243 -4.812 -3.834 1.00 0.00 N ATOM 1687 CA LEU A 91 95.759 -5.072 -5.175 1.00 0.00 C ATOM 1688 C LEU A 91 97.286 -5.086 -5.208 1.00 0.00 C ATOM 1689 O LEU A 91 97.887 -5.841 -5.972 1.00 0.00 O ATOM 1690 CB LEU A 91 95.235 -4.019 -6.150 1.00 0.00 C ATOM 1691 CG LEU A 91 95.590 -4.258 -7.618 1.00 0.00 C ATOM 1692 CD1 LEU A 91 94.893 -5.505 -8.136 1.00 0.00 C ATOM 1693 CD2 LEU A 91 95.219 -3.050 -8.461 1.00 0.00 C ATOM 0 H LEU A 91 94.659 -3.979 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 91 95.410 -6.061 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.150 -3.970 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.624 -3.045 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 91 96.667 -4.409 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 91 95.156 -5.661 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 91 95.209 -6.368 -7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.814 -5.382 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 91 95.479 -3.239 -9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 91 94.147 -2.867 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.764 -2.176 -8.104 1.00 0.00 H new ATOM 1705 N ASN A 92 97.904 -4.258 -4.378 1.00 0.00 N ATOM 1706 CA ASN A 92 99.358 -4.152 -4.352 1.00 0.00 C ATOM 1707 C ASN A 92 99.968 -5.396 -3.718 1.00 0.00 C ATOM 1708 O ASN A 92 99.622 -5.752 -2.589 1.00 0.00 O ATOM 1709 CB ASN A 92 99.802 -2.912 -3.572 1.00 0.00 C ATOM 1710 CG ASN A 92 101.303 -2.696 -3.633 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.940 -2.962 -4.655 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.882 -2.226 -2.541 1.00 0.00 N ATOM 0 H ASN A 92 97.424 -3.650 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 92 99.706 -4.062 -5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.295 -2.034 -3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 92 99.494 -3.011 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 92 102.890 -2.071 -2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.321 -2.018 -1.715 1.00 0.00 H new ATOM 1719 N PRO A 93 100.856 -6.090 -4.450 1.00 0.00 N ATOM 1720 CA PRO A 93 101.593 -7.247 -3.926 1.00 0.00 C ATOM 1721 C PRO A 93 102.458 -6.886 -2.713 1.00 0.00 C ATOM 1722 O PRO A 93 102.538 -5.724 -2.312 1.00 0.00 O ATOM 1723 CB PRO A 93 102.475 -7.679 -5.103 1.00 0.00 C ATOM 1724 CG PRO A 93 101.820 -7.100 -6.309 1.00 0.00 C ATOM 1725 CD PRO A 93 101.198 -5.815 -5.853 1.00 0.00 C ATOM 0 HA PRO A 93 100.920 -8.029 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 93 103.493 -7.307 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 93 102.538 -8.765 -5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 93 102.546 -6.924 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 93 101.068 -7.779 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 93 101.890 -4.978 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 93 100.316 -5.563 -6.441 1.00 0.00 H new ATOM 1733 N ARG A 94 103.127 -7.883 -2.151 1.00 0.00 N ATOM 1734 CA ARG A 94 103.886 -7.696 -0.919 1.00 0.00 C ATOM 1735 C ARG A 94 105.358 -7.404 -1.195 1.00 0.00 C ATOM 1736 O ARG A 94 106.132 -7.172 -0.266 1.00 0.00 O ATOM 1737 CB ARG A 94 103.779 -8.942 -0.036 1.00 0.00 C ATOM 1738 CG ARG A 94 102.390 -9.196 0.528 1.00 0.00 C ATOM 1739 CD ARG A 94 102.340 -10.530 1.255 1.00 0.00 C ATOM 1740 NE ARG A 94 101.077 -10.746 1.958 1.00 0.00 N ATOM 1741 CZ ARG A 94 100.065 -11.459 1.469 1.00 0.00 C ATOM 1742 NH1 ARG A 94 100.125 -11.955 0.238 1.00 0.00 N ATOM 1743 NH2 ARG A 94 98.992 -11.673 2.219 1.00 0.00 N ATOM 0 H ARG A 94 103.161 -8.830 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 94 103.457 -6.836 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 94 104.086 -9.811 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 94 104.482 -8.847 0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 94 102.118 -8.393 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 94 101.658 -9.189 -0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 94 102.493 -11.336 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 94 103.161 -10.580 1.970 1.00 0.00 H new ATOM 0 HE ARG A 94 100.964 -10.324 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 94 100.950 -11.790 -0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 94 99.346 -12.501 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 94 98.946 -11.292 3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 94 98.213 -12.218 1.851 1.00 0.00 H new ATOM 1757 N ASP A 95 105.745 -7.403 -2.464 1.00 0.00 N ATOM 1758 CA ASP A 95 107.157 -7.248 -2.822 1.00 0.00 C ATOM 1759 C ASP A 95 107.334 -6.739 -4.258 1.00 0.00 C ATOM 1760 O ASP A 95 107.921 -5.673 -4.463 1.00 0.00 O ATOM 1761 CB ASP A 95 107.910 -8.574 -2.623 1.00 0.00 C ATOM 1762 CG ASP A 95 109.397 -8.466 -2.909 1.00 0.00 C ATOM 1763 OD1 ASP A 95 110.169 -8.174 -1.970 1.00 0.00 O ATOM 1764 OD2 ASP A 95 109.807 -8.702 -4.068 1.00 0.00 O ATOM 0 H ASP A 95 105.113 -7.506 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 95 107.581 -6.496 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 95 107.768 -8.915 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 95 107.475 -9.332 -3.274 1.00 0.00 H new ATOM 1769 N PRO A 96 106.838 -7.470 -5.281 1.00 0.00 N ATOM 1770 CA PRO A 96 107.031 -7.090 -6.676 1.00 0.00 C ATOM 1771 C PRO A 96 106.039 -6.029 -7.136 1.00 0.00 C ATOM 1772 O PRO A 96 104.909 -5.957 -6.646 1.00 0.00 O ATOM 1773 CB PRO A 96 106.807 -8.402 -7.453 1.00 0.00 C ATOM 1774 CG PRO A 96 106.470 -9.445 -6.430 1.00 0.00 C ATOM 1775 CD PRO A 96 106.059 -8.710 -5.188 1.00 0.00 C ATOM 0 HA PRO A 96 108.015 -6.650 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 96 105.999 -8.292 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 96 107.700 -8.680 -8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 96 105.665 -10.089 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 96 107.329 -10.087 -6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 96 104.987 -8.515 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 96 106.298 -9.273 -4.286 1.00 0.00 H new ATOM 1783 N THR A 97 106.471 -5.199 -8.067 1.00 0.00 N ATOM 1784 CA THR A 97 105.601 -4.206 -8.665 1.00 0.00 C ATOM 1785 C THR A 97 104.778 -4.832 -9.784 1.00 0.00 C ATOM 1786 O THR A 97 105.291 -5.658 -10.544 1.00 0.00 O ATOM 1787 CB THR A 97 106.418 -3.025 -9.219 1.00 0.00 C ATOM 1788 OG1 THR A 97 107.577 -3.516 -9.911 1.00 0.00 O ATOM 1789 CG2 THR A 97 106.843 -2.087 -8.099 1.00 0.00 C ATOM 0 H THR A 97 107.425 -5.194 -8.427 1.00 0.00 H new ATOM 0 HA THR A 97 104.930 -3.833 -7.891 1.00 0.00 H new ATOM 0 HB THR A 97 105.790 -2.468 -9.914 1.00 0.00 H new ATOM 0 HG1 THR A 97 107.465 -3.378 -10.875 1.00 0.00 H new ATOM 0 HG21 THR A 97 107.419 -1.261 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 97 105.958 -1.696 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 97 107.457 -2.632 -7.382 1.00 0.00 H new ATOM 1797 N TYR A 98 103.502 -4.456 -9.879 1.00 0.00 N ATOM 1798 CA TYR A 98 102.634 -4.984 -10.932 1.00 0.00 C ATOM 1799 C TYR A 98 103.154 -4.542 -12.300 1.00 0.00 C ATOM 1800 O TYR A 98 102.881 -5.172 -13.321 1.00 0.00 O ATOM 1801 CB TYR A 98 101.174 -4.536 -10.726 1.00 0.00 C ATOM 1802 CG TYR A 98 100.848 -3.148 -11.246 1.00 0.00 C ATOM 1803 CD1 TYR A 98 100.987 -2.024 -10.441 1.00 0.00 C ATOM 1804 CD2 TYR A 98 100.391 -2.971 -12.549 1.00 0.00 C ATOM 1805 CE1 TYR A 98 100.674 -0.765 -10.918 1.00 0.00 C ATOM 1806 CE2 TYR A 98 100.081 -1.717 -13.031 1.00 0.00 C ATOM 1807 CZ TYR A 98 100.225 -0.616 -12.213 1.00 0.00 C ATOM 1808 OH TYR A 98 99.914 0.634 -12.694 1.00 0.00 O ATOM 0 H TYR A 98 103.050 -3.795 -9.247 1.00 0.00 H new ATOM 0 HA TYR A 98 102.650 -6.073 -10.884 1.00 0.00 H new ATOM 0 HB2 TYR A 98 100.517 -5.254 -11.216 1.00 0.00 H new ATOM 0 HB3 TYR A 98 100.946 -4.571 -9.661 1.00 0.00 H new ATOM 0 HD1 TYR A 98 101.345 -2.136 -9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 98 100.277 -3.830 -13.193 1.00 0.00 H new ATOM 0 HE1 TYR A 98 100.781 0.099 -10.279 1.00 0.00 H new ATOM 0 HE2 TYR A 98 99.727 -1.597 -14.044 1.00 0.00 H new ATOM 0 HH TYR A 98 99.614 0.561 -13.624 1.00 0.00 H new ATOM 1818 N ARG A 99 103.901 -3.447 -12.299 1.00 0.00 N ATOM 1819 CA ARG A 99 104.581 -2.972 -13.491 1.00 0.00 C ATOM 1820 C ARG A 99 106.053 -3.365 -13.424 1.00 0.00 C ATOM 1821 O ARG A 99 106.771 -2.952 -12.510 1.00 0.00 O ATOM 1822 CB ARG A 99 104.442 -1.452 -13.605 1.00 0.00 C ATOM 1823 CG ARG A 99 105.228 -0.839 -14.755 1.00 0.00 C ATOM 1824 CD ARG A 99 105.077 0.674 -14.781 1.00 0.00 C ATOM 1825 NE ARG A 99 105.963 1.309 -15.757 1.00 0.00 N ATOM 1826 CZ ARG A 99 105.748 2.515 -16.280 1.00 0.00 C ATOM 1827 NH1 ARG A 99 104.636 3.177 -15.984 1.00 0.00 N ATOM 1828 NH2 ARG A 99 106.638 3.054 -17.103 1.00 0.00 N ATOM 0 H ARG A 99 104.051 -2.866 -11.474 1.00 0.00 H new ATOM 0 HA ARG A 99 104.128 -3.427 -14.372 1.00 0.00 H new ATOM 0 HB2 ARG A 99 103.388 -1.203 -13.726 1.00 0.00 H new ATOM 0 HB3 ARG A 99 104.772 -0.997 -12.671 1.00 0.00 H new ATOM 0 HG2 ARG A 99 106.282 -1.100 -14.658 1.00 0.00 H new ATOM 0 HG3 ARG A 99 104.881 -1.258 -15.700 1.00 0.00 H new ATOM 0 HD2 ARG A 99 104.043 0.929 -15.014 1.00 0.00 H new ATOM 0 HD3 ARG A 99 105.288 1.074 -13.789 1.00 0.00 H new ATOM 0 HE ARG A 99 106.794 0.798 -16.054 1.00 0.00 H new ATOM 0 HH11 ARG A 99 103.947 2.762 -15.357 1.00 0.00 H new ATOM 0 HH12 ARG A 99 104.471 4.101 -16.384 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.490 2.545 -17.337 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.470 3.978 -17.502 1.00 0.00 H new ATOM 1842 N PRO A 100 106.512 -4.194 -14.365 1.00 0.00 N ATOM 1843 CA PRO A 100 107.912 -4.619 -14.426 1.00 0.00 C ATOM 1844 C PRO A 100 108.840 -3.479 -14.835 1.00 0.00 C ATOM 1845 O PRO A 100 108.502 -2.677 -15.708 1.00 0.00 O ATOM 1846 CB PRO A 100 107.906 -5.713 -15.496 1.00 0.00 C ATOM 1847 CG PRO A 100 106.727 -5.407 -16.352 1.00 0.00 C ATOM 1848 CD PRO A 100 105.703 -4.795 -15.439 1.00 0.00 C ATOM 0 HA PRO A 100 108.280 -4.957 -13.457 1.00 0.00 H new ATOM 0 HB2 PRO A 100 108.829 -5.703 -16.076 1.00 0.00 H new ATOM 0 HB3 PRO A 100 107.822 -6.703 -15.048 1.00 0.00 H new ATOM 0 HG2 PRO A 100 106.995 -4.720 -17.155 1.00 0.00 H new ATOM 0 HG3 PRO A 100 106.340 -6.311 -16.822 1.00 0.00 H new ATOM 0 HD2 PRO A 100 105.102 -4.046 -15.955 1.00 0.00 H new ATOM 0 HD3 PRO A 100 105.014 -5.544 -15.050 1.00 0.00 H new ATOM 1856 N PRO A 101 110.016 -3.376 -14.191 1.00 0.00 N ATOM 1857 CA PRO A 101 111.032 -2.383 -14.553 1.00 0.00 C ATOM 1858 C PRO A 101 111.516 -2.586 -15.981 1.00 0.00 C ATOM 1859 O PRO A 101 111.787 -1.627 -16.708 1.00 0.00 O ATOM 1860 CB PRO A 101 112.171 -2.638 -13.559 1.00 0.00 C ATOM 1861 CG PRO A 101 111.546 -3.394 -12.437 1.00 0.00 C ATOM 1862 CD PRO A 101 110.441 -4.205 -13.053 1.00 0.00 C ATOM 0 HA PRO A 101 110.648 -1.364 -14.508 1.00 0.00 H new ATOM 0 HB2 PRO A 101 112.976 -3.211 -14.020 1.00 0.00 H new ATOM 0 HB3 PRO A 101 112.606 -1.702 -13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 101 112.276 -4.037 -11.945 1.00 0.00 H new ATOM 0 HG3 PRO A 101 111.156 -2.716 -11.678 1.00 0.00 H new ATOM 0 HD2 PRO A 101 110.792 -5.185 -13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 101 109.625 -4.375 -12.350 1.00 0.00 H new ATOM 1870 N SER A 102 111.620 -3.848 -16.374 1.00 0.00 N ATOM 1871 CA SER A 102 111.953 -4.198 -17.738 1.00 0.00 C ATOM 1872 C SER A 102 110.670 -4.432 -18.528 1.00 0.00 C ATOM 1873 O SER A 102 110.053 -5.495 -18.426 1.00 0.00 O ATOM 1874 CB SER A 102 112.835 -5.449 -17.760 1.00 0.00 C ATOM 1875 OG SER A 102 113.972 -5.279 -16.927 1.00 0.00 O ATOM 0 H SER A 102 111.476 -4.648 -15.758 1.00 0.00 H new ATOM 0 HA SER A 102 112.509 -3.381 -18.198 1.00 0.00 H new ATOM 0 HB2 SER A 102 112.259 -6.312 -17.425 1.00 0.00 H new ATOM 0 HB3 SER A 102 113.155 -5.656 -18.781 1.00 0.00 H new ATOM 0 HG SER A 102 114.521 -6.090 -16.954 1.00 0.00 H new ATOM 1881 N GLY A 103 110.254 -3.424 -19.278 1.00 0.00 N ATOM 1882 CA GLY A 103 109.027 -3.523 -20.039 1.00 0.00 C ATOM 1883 C GLY A 103 109.114 -2.785 -21.357 1.00 0.00 C ATOM 1884 O GLY A 103 110.103 -2.912 -22.081 1.00 0.00 O ATOM 0 H GLY A 103 110.746 -2.536 -19.373 1.00 0.00 H new ATOM 0 HA2 GLY A 103 108.801 -4.573 -20.226 1.00 0.00 H new ATOM 0 HA3 GLY A 103 108.203 -3.119 -19.451 1.00 0.00 H new ATOM 1888 N GLY A 104 108.093 -2.003 -21.664 1.00 0.00 N ATOM 1889 CA GLY A 104 108.056 -1.290 -22.922 1.00 0.00 C ATOM 1890 C GLY A 104 107.070 -0.143 -22.895 1.00 0.00 C ATOM 1891 O GLY A 104 107.484 0.996 -22.600 1.00 0.00 O ATOM 1892 OXT GLY A 104 105.874 -0.380 -23.150 1.00 0.00 O ATOM 0 H GLY A 104 107.285 -1.848 -21.061 1.00 0.00 H new ATOM 0 HA2 GLY A 104 109.051 -0.908 -23.151 1.00 0.00 H new ATOM 0 HA3 GLY A 104 107.788 -1.980 -23.722 1.00 0.00 H new TER 1896 GLY A 104