USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 880 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 44 GLN : amide:sc= 0.951 K(o=0.6,f=-4.7) USER MOD Set 1.2: B 64 HIS : no HD1:sc= -0.351 K(o=0.6,f=-11!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.187 K(o=0.82,f=-12!) USER MOD Set 2.2: B 44 GLN : amide:sc= 1.01 K(o=0.82,f=-4.9!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 1.78 (180deg=1.23) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.0258 (180deg=-0.238) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 41 TYR OH : rot -15:sc= 0 USER MOD Single : A 43 MET CE :methyl 162:sc= -0.416 (180deg=-0.949) USER MOD Single : A 46 MET CE :methyl -153:sc= -1.24 (180deg=-2.39!) USER MOD Single : A 47 ASN : amide:sc=-0.00733 X(o=-0.0073,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 1.14 (180deg=1.08) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 166:sc= -9.11! (180deg=-9.7!) USER MOD Single : A 53 SER OG : rot 12:sc= 0.736 USER MOD Single : A 54 SER OG : rot -39:sc= 0.211 USER MOD Single : A 57 ASN : amide:sc= -1.08 K(o=-1.1,f=-9.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -107:sc= 0.156 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.0015 (180deg=-0.151) USER MOD Single : A 80 MET CE :methyl -142:sc= -1.12 (180deg=-2.91!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 SER OG : rot 180:sc= 0 USER MOD Single : B -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -169:sc= 1.86 (180deg=1.2) USER MOD Single : B 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.214) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.0916 USER MOD Single : B 41 TYR OH : rot -50:sc= 0.00172 USER MOD Single : B 43 MET CE :methyl 161:sc= -0.472 (180deg=-1.01) USER MOD Single : B 46 MET CE :methyl -155:sc= -1.27 (180deg=-2.4!) USER MOD Single : B 47 ASN : amide:sc=-0.00464 X(o=-0.0046,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl 169:sc= -9.19! (180deg=-9.73!) USER MOD Single : B 53 SER OG : rot 13:sc= 0.676 USER MOD Single : B 54 SER OG : rot -39:sc= 0.21 USER MOD Single : B 57 ASN : amide:sc= -1.07 K(o=-1.1,f=-9.4!) USER MOD Single : B 59 SER OG : rot 180:sc=0.000136 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot -106:sc= 0.196 USER MOD Single : B 78 LYS NZ :NH3+ -167:sc= -0.0056 (180deg=-0.125) USER MOD Single : B 80 MET CE :methyl -141:sc= -1.11 (180deg=-2.88!) USER MOD Single : B 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -10.328 -12.186 -11.362 1.00 7.36 N ATOM 2 CA GLY A -2 -9.851 -11.195 -10.370 1.00 7.04 C ATOM 3 C GLY A -2 -8.589 -11.651 -9.675 1.00 6.49 C ATOM 4 O GLY A -2 -8.600 -12.637 -8.935 1.00 6.41 O ATOM 0 H1 GLY A -2 -11.195 -11.834 -11.815 1.00 7.36 H new ATOM 0 H2 GLY A -2 -9.595 -12.334 -12.085 1.00 7.36 H new ATOM 0 H3 GLY A -2 -10.529 -13.087 -10.883 1.00 7.36 H new ATOM 0 HA2 GLY A -2 -9.667 -10.243 -10.868 1.00 7.04 H new ATOM 0 HA3 GLY A -2 -10.630 -11.021 -9.628 1.00 7.04 H new ATOM 10 N SER A -1 -7.498 -10.940 -9.919 1.00 6.40 N ATOM 11 CA SER A -1 -6.218 -11.262 -9.311 1.00 6.10 C ATOM 12 C SER A -1 -5.266 -10.081 -9.472 1.00 5.78 C ATOM 13 O SER A -1 -4.914 -9.425 -8.488 1.00 6.08 O ATOM 14 CB SER A -1 -5.631 -12.525 -9.956 1.00 6.39 C ATOM 15 OG SER A -1 -4.468 -12.963 -9.276 1.00 6.63 O ATOM 0 H SER A -1 -7.476 -10.130 -10.539 1.00 6.40 H new ATOM 0 HA SER A -1 -6.360 -11.457 -8.248 1.00 6.10 H new ATOM 0 HB2 SER A -1 -6.378 -13.319 -9.950 1.00 6.39 H new ATOM 0 HB3 SER A -1 -5.389 -12.323 -10.999 1.00 6.39 H new ATOM 0 HG SER A -1 -4.120 -13.770 -9.710 1.00 6.63 H new ATOM 21 N LYS A 32 -4.890 -9.809 -10.724 1.00 5.46 N ATOM 22 CA LYS A 32 -4.000 -8.696 -11.075 1.00 5.30 C ATOM 23 C LYS A 32 -2.563 -8.949 -10.617 1.00 4.83 C ATOM 24 O LYS A 32 -2.312 -9.362 -9.483 1.00 4.65 O ATOM 25 CB LYS A 32 -4.510 -7.375 -10.497 1.00 5.58 C ATOM 26 CG LYS A 32 -3.669 -6.173 -10.895 1.00 6.00 C ATOM 27 CD LYS A 32 -4.127 -4.906 -10.195 1.00 6.38 C ATOM 28 CE LYS A 32 -5.573 -4.576 -10.522 1.00 7.09 C ATOM 29 NZ LYS A 32 -6.021 -3.330 -9.854 1.00 7.47 N ATOM 0 H LYS A 32 -5.195 -10.357 -11.528 1.00 5.46 H new ATOM 0 HA LYS A 32 -4.000 -8.625 -12.163 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -5.536 -7.215 -10.827 1.00 5.58 H new ATOM 0 HB3 LYS A 32 -4.533 -7.448 -9.410 1.00 5.58 H new ATOM 0 HG2 LYS A 32 -2.624 -6.365 -10.652 1.00 6.00 H new ATOM 0 HG3 LYS A 32 -3.725 -6.032 -11.974 1.00 6.00 H new ATOM 0 HD2 LYS A 32 -4.015 -5.025 -9.117 1.00 6.38 H new ATOM 0 HD3 LYS A 32 -3.488 -4.075 -10.492 1.00 6.38 H new ATOM 0 HE2 LYS A 32 -5.686 -4.470 -11.601 1.00 7.09 H new ATOM 0 HE3 LYS A 32 -6.213 -5.403 -10.214 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 -7.058 -3.263 -9.903 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 -5.722 -3.343 -8.858 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 -5.598 -2.509 -10.332 1.00 7.47 H new ATOM 43 N GLU A 33 -1.625 -8.686 -11.508 1.00 4.81 N ATOM 44 CA GLU A 33 -0.213 -8.881 -11.223 1.00 4.46 C ATOM 45 C GLU A 33 0.449 -7.546 -10.907 1.00 3.99 C ATOM 46 O GLU A 33 -0.108 -6.486 -11.199 1.00 4.06 O ATOM 47 CB GLU A 33 0.499 -9.549 -12.406 1.00 4.70 C ATOM 48 CG GLU A 33 0.473 -8.738 -13.696 1.00 4.79 C ATOM 49 CD GLU A 33 -0.873 -8.763 -14.394 1.00 4.98 C ATOM 50 OE1 GLU A 33 -1.096 -9.660 -15.238 1.00 5.29 O ATOM 51 OE2 GLU A 33 -1.720 -7.895 -14.098 1.00 5.18 O ATOM 0 H GLU A 33 -1.817 -8.333 -12.445 1.00 4.81 H new ATOM 0 HA GLU A 33 -0.130 -9.537 -10.356 1.00 4.46 H new ATOM 0 HB2 GLU A 33 1.537 -9.737 -12.130 1.00 4.70 H new ATOM 0 HB3 GLU A 33 0.037 -10.519 -12.592 1.00 4.70 H new ATOM 0 HG2 GLU A 33 0.739 -7.705 -13.473 1.00 4.79 H new ATOM 0 HG3 GLU A 33 1.234 -9.124 -14.375 1.00 4.79 H new ATOM 58 N LYS A 34 1.630 -7.598 -10.313 1.00 3.73 N ATOM 59 CA LYS A 34 2.367 -6.391 -9.978 1.00 3.43 C ATOM 60 C LYS A 34 3.869 -6.678 -9.951 1.00 3.03 C ATOM 61 O LYS A 34 4.271 -7.843 -9.959 1.00 3.00 O ATOM 62 CB LYS A 34 1.893 -5.845 -8.623 1.00 3.71 C ATOM 63 CG LYS A 34 2.481 -6.544 -7.403 1.00 4.14 C ATOM 64 CD LYS A 34 1.993 -7.974 -7.258 1.00 4.58 C ATOM 65 CE LYS A 34 2.435 -8.578 -5.937 1.00 5.29 C ATOM 66 NZ LYS A 34 3.903 -8.456 -5.731 1.00 5.78 N ATOM 0 H LYS A 34 2.100 -8.465 -10.052 1.00 3.73 H new ATOM 0 HA LYS A 34 2.177 -5.636 -10.741 1.00 3.43 H new ATOM 0 HB2 LYS A 34 2.140 -4.785 -8.569 1.00 3.71 H new ATOM 0 HB3 LYS A 34 0.807 -5.922 -8.578 1.00 3.71 H new ATOM 0 HG2 LYS A 34 3.569 -6.541 -7.476 1.00 4.14 H new ATOM 0 HG3 LYS A 34 2.220 -5.982 -6.506 1.00 4.14 H new ATOM 0 HD2 LYS A 34 0.905 -7.998 -7.325 1.00 4.58 H new ATOM 0 HD3 LYS A 34 2.376 -8.576 -8.082 1.00 4.58 H new ATOM 0 HE2 LYS A 34 1.912 -8.083 -5.119 1.00 5.29 H new ATOM 0 HE3 LYS A 34 2.151 -9.630 -5.906 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 4.184 -9.011 -4.897 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 4.402 -8.815 -6.570 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 4.151 -7.457 -5.582 1.00 5.78 H new ATOM 80 N PRO A 35 4.714 -5.628 -9.947 1.00 2.87 N ATOM 81 CA PRO A 35 6.173 -5.780 -9.855 1.00 2.61 C ATOM 82 C PRO A 35 6.607 -6.635 -8.664 1.00 2.27 C ATOM 83 O PRO A 35 5.944 -6.668 -7.621 1.00 2.34 O ATOM 84 CB PRO A 35 6.668 -4.341 -9.683 1.00 2.80 C ATOM 85 CG PRO A 35 5.619 -3.508 -10.329 1.00 3.20 C ATOM 86 CD PRO A 35 4.319 -4.208 -10.056 1.00 3.15 C ATOM 0 HA PRO A 35 6.579 -6.290 -10.728 1.00 2.61 H new ATOM 0 HB2 PRO A 35 6.786 -4.085 -8.630 1.00 2.80 H new ATOM 0 HB3 PRO A 35 7.639 -4.196 -10.157 1.00 2.80 H new ATOM 0 HG2 PRO A 35 5.613 -2.498 -9.919 1.00 3.20 H new ATOM 0 HG3 PRO A 35 5.797 -3.416 -11.400 1.00 3.20 H new ATOM 0 HD2 PRO A 35 3.853 -3.848 -9.138 1.00 3.15 H new ATOM 0 HD3 PRO A 35 3.601 -4.051 -10.861 1.00 3.15 H new ATOM 94 N LYS A 36 7.725 -7.327 -8.832 1.00 2.07 N ATOM 95 CA LYS A 36 8.261 -8.189 -7.791 1.00 1.82 C ATOM 96 C LYS A 36 9.000 -7.368 -6.739 1.00 1.56 C ATOM 97 O LYS A 36 9.599 -6.336 -7.053 1.00 1.53 O ATOM 98 CB LYS A 36 9.208 -9.228 -8.397 1.00 1.80 C ATOM 99 CG LYS A 36 10.372 -8.622 -9.165 1.00 2.24 C ATOM 100 CD LYS A 36 11.305 -9.693 -9.701 1.00 2.52 C ATOM 101 CE LYS A 36 12.483 -9.081 -10.442 1.00 3.04 C ATOM 102 NZ LYS A 36 13.383 -10.120 -11.009 1.00 3.62 N ATOM 0 H LYS A 36 8.281 -7.307 -9.687 1.00 2.07 H new ATOM 0 HA LYS A 36 7.427 -8.702 -7.312 1.00 1.82 H new ATOM 0 HB2 LYS A 36 9.600 -9.858 -7.599 1.00 1.80 H new ATOM 0 HB3 LYS A 36 8.642 -9.876 -9.066 1.00 1.80 H new ATOM 0 HG2 LYS A 36 9.991 -8.023 -9.992 1.00 2.24 H new ATOM 0 HG3 LYS A 36 10.927 -7.948 -8.513 1.00 2.24 H new ATOM 0 HD2 LYS A 36 11.670 -10.306 -8.877 1.00 2.52 H new ATOM 0 HD3 LYS A 36 10.756 -10.355 -10.371 1.00 2.52 H new ATOM 0 HE2 LYS A 36 12.115 -8.443 -11.245 1.00 3.04 H new ATOM 0 HE3 LYS A 36 13.048 -8.444 -9.762 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 14.173 -9.661 -11.506 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 13.755 -10.714 -10.241 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 12.851 -10.713 -11.678 1.00 3.62 H new ATOM 116 N PRO A 37 8.952 -7.811 -5.476 1.00 1.50 N ATOM 117 CA PRO A 37 9.664 -7.149 -4.384 1.00 1.33 C ATOM 118 C PRO A 37 11.179 -7.310 -4.500 1.00 1.14 C ATOM 119 O PRO A 37 11.726 -8.401 -4.324 1.00 1.27 O ATOM 120 CB PRO A 37 9.135 -7.853 -3.131 1.00 1.52 C ATOM 121 CG PRO A 37 8.682 -9.188 -3.607 1.00 1.74 C ATOM 122 CD PRO A 37 8.188 -8.983 -5.011 1.00 1.75 C ATOM 0 HA PRO A 37 9.496 -6.072 -4.379 1.00 1.33 H new ATOM 0 HB2 PRO A 37 9.912 -7.946 -2.372 1.00 1.52 H new ATOM 0 HB3 PRO A 37 8.315 -7.295 -2.680 1.00 1.52 H new ATOM 0 HG2 PRO A 37 9.499 -9.909 -3.583 1.00 1.74 H new ATOM 0 HG3 PRO A 37 7.891 -9.582 -2.969 1.00 1.74 H new ATOM 0 HD2 PRO A 37 8.375 -9.857 -5.634 1.00 1.75 H new ATOM 0 HD3 PRO A 37 7.114 -8.798 -5.036 1.00 1.75 H new ATOM 130 N THR A 38 11.843 -6.216 -4.822 1.00 0.97 N ATOM 131 CA THR A 38 13.291 -6.183 -4.938 1.00 0.83 C ATOM 132 C THR A 38 13.859 -5.114 -4.007 1.00 0.72 C ATOM 133 O THR A 38 13.091 -4.364 -3.404 1.00 0.65 O ATOM 134 CB THR A 38 13.702 -5.871 -6.391 1.00 0.79 C ATOM 135 OG1 THR A 38 13.007 -4.701 -6.848 1.00 0.85 O ATOM 136 CG2 THR A 38 13.391 -7.042 -7.308 1.00 0.95 C ATOM 0 H THR A 38 11.392 -5.321 -5.012 1.00 0.97 H new ATOM 0 HA THR A 38 13.688 -7.159 -4.658 1.00 0.83 H new ATOM 0 HB THR A 38 14.777 -5.693 -6.414 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.271 -4.503 -7.771 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.691 -6.796 -8.327 1.00 0.95 H new ATOM 0 HG22 THR A 38 13.938 -7.923 -6.972 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.321 -7.248 -7.284 1.00 0.95 H new ATOM 144 N PRO A 39 15.192 -5.023 -3.844 1.00 0.74 N ATOM 145 CA PRO A 39 15.795 -3.928 -3.083 1.00 0.70 C ATOM 146 C PRO A 39 15.388 -2.573 -3.650 1.00 0.62 C ATOM 147 O PRO A 39 15.039 -1.664 -2.904 1.00 0.56 O ATOM 148 CB PRO A 39 17.295 -4.151 -3.241 1.00 0.78 C ATOM 149 CG PRO A 39 17.429 -5.604 -3.543 1.00 0.87 C ATOM 150 CD PRO A 39 16.206 -5.973 -4.336 1.00 0.83 C ATOM 0 HA PRO A 39 15.476 -3.922 -2.041 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.704 -3.540 -4.045 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.834 -3.884 -2.332 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.338 -5.803 -4.111 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.492 -6.190 -2.626 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.373 -5.866 -5.408 1.00 0.83 H new ATOM 0 HD3 PRO A 39 15.909 -7.007 -4.161 1.00 0.83 H new ATOM 158 N ASP A 40 15.402 -2.462 -4.976 1.00 0.66 N ATOM 159 CA ASP A 40 14.969 -1.244 -5.662 1.00 0.64 C ATOM 160 C ASP A 40 13.548 -0.893 -5.243 1.00 0.58 C ATOM 161 O ASP A 40 13.248 0.251 -4.893 1.00 0.58 O ATOM 162 CB ASP A 40 15.015 -1.438 -7.180 1.00 0.72 C ATOM 163 CG ASP A 40 16.364 -1.913 -7.675 1.00 1.44 C ATOM 164 OD1 ASP A 40 16.637 -3.127 -7.584 1.00 2.22 O ATOM 165 OD2 ASP A 40 17.154 -1.080 -8.170 1.00 2.15 O ATOM 0 H ASP A 40 15.711 -3.206 -5.602 1.00 0.66 H new ATOM 0 HA ASP A 40 15.644 -0.434 -5.387 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.252 -2.160 -7.472 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.766 -0.496 -7.669 1.00 0.72 H new ATOM 170 N TYR A 41 12.688 -1.906 -5.270 1.00 0.57 N ATOM 171 CA TYR A 41 11.301 -1.784 -4.836 1.00 0.54 C ATOM 172 C TYR A 41 11.231 -1.231 -3.411 1.00 0.46 C ATOM 173 O TYR A 41 10.358 -0.425 -3.086 1.00 0.43 O ATOM 174 CB TYR A 41 10.640 -3.170 -4.899 1.00 0.61 C ATOM 175 CG TYR A 41 9.147 -3.193 -4.648 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.628 -3.083 -3.365 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.254 -3.345 -5.701 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.267 -3.114 -3.139 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.892 -3.379 -5.481 1.00 0.88 C ATOM 180 CZ TYR A 41 6.405 -3.259 -4.198 1.00 0.73 C ATOM 181 OH TYR A 41 5.049 -3.279 -3.970 1.00 0.81 O ATOM 0 H TYR A 41 12.935 -2.840 -5.596 1.00 0.57 H new ATOM 0 HA TYR A 41 10.774 -1.092 -5.493 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.832 -3.600 -5.882 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.124 -3.817 -4.168 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.302 -2.971 -2.528 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.632 -3.438 -6.708 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.882 -3.025 -2.134 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.211 -3.499 -6.311 1.00 0.88 H new ATOM 0 HH TYR A 41 4.880 -3.421 -3.015 1.00 0.81 H new ATOM 191 N LEU A 42 12.178 -1.647 -2.581 1.00 0.44 N ATOM 192 CA LEU A 42 12.171 -1.301 -1.167 1.00 0.39 C ATOM 193 C LEU A 42 12.795 0.068 -0.920 1.00 0.37 C ATOM 194 O LEU A 42 12.396 0.777 -0.001 1.00 0.34 O ATOM 195 CB LEU A 42 12.920 -2.364 -0.356 1.00 0.43 C ATOM 196 CG LEU A 42 13.012 -2.096 1.150 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.630 -2.054 1.774 1.00 0.37 C ATOM 198 CD2 LEU A 42 13.872 -3.148 1.831 1.00 0.48 C ATOM 0 H LEU A 42 12.966 -2.229 -2.866 1.00 0.44 H new ATOM 0 HA LEU A 42 11.131 -1.263 -0.844 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.429 -3.325 -0.508 1.00 0.43 H new ATOM 0 HB3 LEU A 42 13.931 -2.456 -0.754 1.00 0.43 H new ATOM 0 HG LEU A 42 13.482 -1.123 1.293 1.00 0.41 H new ATOM 0 HD11 LEU A 42 11.719 -1.863 2.843 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.046 -1.259 1.311 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.131 -3.010 1.617 1.00 0.37 H new ATOM 0 HD21 LEU A 42 13.924 -2.939 2.900 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.433 -4.133 1.675 1.00 0.48 H new ATOM 0 HD23 LEU A 42 14.876 -3.127 1.408 1.00 0.48 H new ATOM 210 N MET A 43 13.745 0.463 -1.761 1.00 0.40 N ATOM 211 CA MET A 43 14.482 1.699 -1.531 1.00 0.40 C ATOM 212 C MET A 43 13.584 2.881 -1.835 1.00 0.37 C ATOM 213 O MET A 43 13.588 3.893 -1.132 1.00 0.36 O ATOM 214 CB MET A 43 15.742 1.776 -2.400 1.00 0.47 C ATOM 215 CG MET A 43 16.760 0.665 -2.162 1.00 0.63 C ATOM 216 SD MET A 43 17.303 0.533 -0.446 1.00 0.85 S ATOM 217 CE MET A 43 16.250 -0.790 0.151 1.00 0.55 C ATOM 0 H MET A 43 14.020 -0.049 -2.599 1.00 0.40 H new ATOM 0 HA MET A 43 14.794 1.719 -0.487 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.444 1.756 -3.448 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.227 2.736 -2.225 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.325 -0.286 -2.470 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.629 0.839 -2.796 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.669 -1.202 1.069 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.252 -0.399 0.350 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.188 -1.574 -0.603 1.00 0.55 H new ATOM 227 N GLN A 44 12.781 2.720 -2.873 1.00 0.36 N ATOM 228 CA GLN A 44 11.835 3.747 -3.266 1.00 0.35 C ATOM 229 C GLN A 44 10.741 3.855 -2.214 1.00 0.30 C ATOM 230 O GLN A 44 10.230 4.939 -1.938 1.00 0.30 O ATOM 231 CB GLN A 44 11.230 3.429 -4.630 1.00 0.42 C ATOM 232 CG GLN A 44 12.256 3.326 -5.745 1.00 0.52 C ATOM 233 CD GLN A 44 11.637 2.915 -7.067 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.476 3.221 -7.348 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.398 2.207 -7.879 1.00 0.75 N ATOM 0 H GLN A 44 12.766 1.885 -3.459 1.00 0.36 H new ATOM 0 HA GLN A 44 12.358 4.700 -3.343 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.683 2.489 -4.564 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.506 4.202 -4.885 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.756 4.287 -5.865 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.021 2.602 -5.465 1.00 0.52 H new ATOM 0 HE21 GLN A 44 13.354 1.975 -7.609 1.00 0.75 H new ATOM 0 HE22 GLN A 44 12.031 1.892 -8.777 1.00 0.75 H new ATOM 244 N LEU A 45 10.409 2.716 -1.612 1.00 0.27 N ATOM 245 CA LEU A 45 9.440 2.668 -0.527 1.00 0.25 C ATOM 246 C LEU A 45 9.940 3.432 0.688 1.00 0.23 C ATOM 247 O LEU A 45 9.150 4.028 1.423 1.00 0.23 O ATOM 248 CB LEU A 45 9.153 1.222 -0.125 1.00 0.29 C ATOM 249 CG LEU A 45 8.073 0.511 -0.935 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.932 -0.932 -0.479 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.750 1.239 -0.791 1.00 0.31 C ATOM 0 H LEU A 45 10.802 1.808 -1.862 1.00 0.27 H new ATOM 0 HA LEU A 45 8.523 3.135 -0.887 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.078 0.651 -0.208 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.862 1.207 0.925 1.00 0.29 H new ATOM 0 HG LEU A 45 8.365 0.515 -1.985 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.158 -1.425 -1.067 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.880 -1.452 -0.618 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.657 -0.955 0.576 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.986 0.724 -1.373 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.457 1.256 0.259 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.856 2.261 -1.155 1.00 0.31 H new ATOM 263 N MET A 46 11.254 3.428 0.883 1.00 0.26 N ATOM 264 CA MET A 46 11.848 4.068 2.046 1.00 0.28 C ATOM 265 C MET A 46 11.610 5.562 2.009 1.00 0.27 C ATOM 266 O MET A 46 11.483 6.199 3.050 1.00 0.41 O ATOM 267 CB MET A 46 13.351 3.809 2.136 1.00 0.33 C ATOM 268 CG MET A 46 13.733 2.346 2.259 1.00 0.39 C ATOM 269 SD MET A 46 15.485 2.125 2.634 1.00 0.49 S ATOM 270 CE MET A 46 16.233 3.229 1.435 1.00 0.49 C ATOM 0 H MET A 46 11.925 2.990 0.252 1.00 0.26 H new ATOM 0 HA MET A 46 11.368 3.635 2.924 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.832 4.223 1.250 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.749 4.348 2.996 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.135 1.881 3.042 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.495 1.831 1.328 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.238 2.880 1.196 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.629 3.244 0.528 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.288 4.235 1.851 1.00 0.49 H new ATOM 280 N ASN A 47 11.531 6.131 0.809 1.00 0.24 N ATOM 281 CA ASN A 47 11.327 7.564 0.677 1.00 0.30 C ATOM 282 C ASN A 47 9.851 7.901 0.831 1.00 0.26 C ATOM 283 O ASN A 47 9.507 8.966 1.329 1.00 0.27 O ATOM 284 CB ASN A 47 11.845 8.058 -0.681 1.00 0.42 C ATOM 285 CG ASN A 47 11.559 9.532 -0.919 1.00 0.80 C ATOM 286 OD1 ASN A 47 12.321 10.400 -0.491 1.00 1.61 O ATOM 287 ND2 ASN A 47 10.478 9.826 -1.628 1.00 1.42 N ATOM 0 H ASN A 47 11.605 5.626 -0.074 1.00 0.24 H new ATOM 0 HA ASN A 47 11.887 8.068 1.465 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.920 7.887 -0.739 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.386 7.470 -1.476 1.00 0.42 H new ATOM 0 HD21 ASN A 47 10.254 10.799 -1.836 1.00 1.42 H new ATOM 0 HD22 ASN A 47 9.871 9.079 -1.965 1.00 1.42 H new ATOM 294 N ASP A 48 8.982 6.967 0.455 1.00 0.24 N ATOM 295 CA ASP A 48 7.541 7.196 0.528 1.00 0.24 C ATOM 296 C ASP A 48 7.105 7.196 1.989 1.00 0.25 C ATOM 297 O ASP A 48 6.451 8.125 2.460 1.00 0.30 O ATOM 298 CB ASP A 48 6.759 6.108 -0.230 1.00 0.25 C ATOM 299 CG ASP A 48 6.913 6.150 -1.744 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.051 5.074 -2.362 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.880 7.251 -2.329 1.00 0.74 O ATOM 0 H ASP A 48 9.248 6.049 0.098 1.00 0.24 H new ATOM 0 HA ASP A 48 7.326 8.159 0.064 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.084 5.131 0.127 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.701 6.202 0.016 1.00 0.25 H new ATOM 306 N LYS A 49 7.505 6.145 2.697 1.00 0.22 N ATOM 307 CA LYS A 49 7.192 5.971 4.116 1.00 0.27 C ATOM 308 C LYS A 49 7.708 7.149 4.935 1.00 0.32 C ATOM 309 O LYS A 49 7.043 7.610 5.867 1.00 0.44 O ATOM 310 CB LYS A 49 7.823 4.669 4.622 1.00 0.31 C ATOM 311 CG LYS A 49 7.050 3.976 5.738 1.00 0.59 C ATOM 312 CD LYS A 49 7.049 4.782 7.025 1.00 0.92 C ATOM 313 CE LYS A 49 6.239 4.094 8.113 1.00 1.45 C ATOM 314 NZ LYS A 49 6.895 2.847 8.592 1.00 2.10 N ATOM 0 H LYS A 49 8.059 5.384 2.303 1.00 0.22 H new ATOM 0 HA LYS A 49 6.109 5.924 4.231 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.920 3.979 3.784 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.831 4.884 4.977 1.00 0.31 H new ATOM 0 HG2 LYS A 49 6.022 3.809 5.416 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.488 2.996 5.926 1.00 0.59 H new ATOM 0 HD2 LYS A 49 8.074 4.924 7.368 1.00 0.92 H new ATOM 0 HD3 LYS A 49 6.637 5.773 6.835 1.00 0.92 H new ATOM 0 HE2 LYS A 49 6.104 4.777 8.951 1.00 1.45 H new ATOM 0 HE3 LYS A 49 5.246 3.858 7.731 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 6.286 2.383 9.296 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.048 2.204 7.789 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 7.810 3.081 9.027 1.00 2.10 H new ATOM 328 N LYS A 50 8.864 7.667 4.552 1.00 0.30 N ATOM 329 CA LYS A 50 9.521 8.707 5.324 1.00 0.37 C ATOM 330 C LYS A 50 8.935 10.061 4.949 1.00 0.39 C ATOM 331 O LYS A 50 8.778 10.945 5.791 1.00 0.43 O ATOM 332 CB LYS A 50 11.029 8.698 5.067 1.00 0.42 C ATOM 333 CG LYS A 50 11.811 9.589 6.020 1.00 1.14 C ATOM 334 CD LYS A 50 13.273 9.705 5.619 1.00 1.67 C ATOM 335 CE LYS A 50 13.433 10.480 4.319 1.00 2.35 C ATOM 336 NZ LYS A 50 14.860 10.665 3.952 1.00 3.05 N ATOM 0 H LYS A 50 9.366 7.383 3.711 1.00 0.30 H new ATOM 0 HA LYS A 50 9.355 8.519 6.385 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.398 7.676 5.152 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.217 9.021 4.043 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.361 10.581 6.041 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.743 9.187 7.031 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.831 10.203 6.412 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.701 8.709 5.505 1.00 1.67 H new ATOM 0 HE2 LYS A 50 12.918 9.952 3.517 1.00 2.35 H new ATOM 0 HE3 LYS A 50 12.955 11.455 4.417 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.923 11.197 3.061 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 15.347 11.192 4.705 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 15.311 9.736 3.833 1.00 3.05 H new ATOM 350 N LEU A 51 8.614 10.214 3.672 1.00 0.38 N ATOM 351 CA LEU A 51 7.959 11.414 3.178 1.00 0.44 C ATOM 352 C LEU A 51 6.620 11.607 3.867 1.00 0.42 C ATOM 353 O LEU A 51 6.286 12.709 4.300 1.00 0.47 O ATOM 354 CB LEU A 51 7.750 11.304 1.667 1.00 0.48 C ATOM 355 CG LEU A 51 7.170 12.535 0.984 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.130 13.705 1.093 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.859 12.232 -0.472 1.00 1.22 C ATOM 0 H LEU A 51 8.799 9.514 2.954 1.00 0.38 H new ATOM 0 HA LEU A 51 8.593 12.274 3.395 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.709 11.073 1.203 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.090 10.459 1.472 1.00 0.48 H new ATOM 0 HG LEU A 51 6.242 12.807 1.486 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.699 14.576 0.599 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.307 13.934 2.144 1.00 1.10 H new ATOM 0 HD13 LEU A 51 9.074 13.447 0.614 1.00 1.10 H new ATOM 0 HD21 LEU A 51 6.445 13.121 -0.948 1.00 1.22 H new ATOM 0 HD22 LEU A 51 7.774 11.938 -0.986 1.00 1.22 H new ATOM 0 HD23 LEU A 51 6.134 11.420 -0.528 1.00 1.22 H new ATOM 369 N MET A 52 5.870 10.521 4.002 1.00 0.39 N ATOM 370 CA MET A 52 4.531 10.576 4.563 1.00 0.37 C ATOM 371 C MET A 52 4.563 10.953 6.040 1.00 0.41 C ATOM 372 O MET A 52 3.661 11.627 6.534 1.00 0.47 O ATOM 373 CB MET A 52 3.825 9.236 4.365 1.00 0.33 C ATOM 374 CG MET A 52 3.548 8.910 2.914 1.00 1.29 C ATOM 375 SD MET A 52 2.415 7.531 2.689 1.00 1.25 S ATOM 376 CE MET A 52 3.404 6.135 3.195 1.00 0.31 C ATOM 0 H MET A 52 6.171 9.586 3.728 1.00 0.39 H new ATOM 0 HA MET A 52 3.973 11.351 4.037 1.00 0.37 H new ATOM 0 HB2 MET A 52 4.437 8.444 4.797 1.00 0.33 H new ATOM 0 HB3 MET A 52 2.883 9.246 4.913 1.00 0.33 H new ATOM 0 HG2 MET A 52 3.135 9.792 2.425 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.490 8.681 2.416 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.761 5.267 3.342 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.142 5.913 2.424 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.915 6.370 4.129 1.00 0.31 H new ATOM 386 N SER A 53 5.616 10.543 6.742 1.00 0.40 N ATOM 387 CA SER A 53 5.748 10.855 8.157 1.00 0.47 C ATOM 388 C SER A 53 6.241 12.287 8.367 1.00 0.50 C ATOM 389 O SER A 53 6.232 12.798 9.485 1.00 0.62 O ATOM 390 CB SER A 53 6.686 9.851 8.835 1.00 0.52 C ATOM 391 OG SER A 53 7.892 9.694 8.106 1.00 1.15 O ATOM 0 H SER A 53 6.385 9.997 6.354 1.00 0.40 H new ATOM 0 HA SER A 53 4.762 10.777 8.616 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.912 10.188 9.847 1.00 0.52 H new ATOM 0 HB3 SER A 53 6.186 8.887 8.925 1.00 0.52 H new ATOM 0 HG SER A 53 7.958 10.398 7.427 1.00 1.15 H new ATOM 397 N SER A 54 6.664 12.934 7.287 1.00 0.49 N ATOM 398 CA SER A 54 7.111 14.319 7.355 1.00 0.53 C ATOM 399 C SER A 54 6.010 15.245 6.842 1.00 0.53 C ATOM 400 O SER A 54 6.144 16.470 6.859 1.00 0.53 O ATOM 401 CB SER A 54 8.392 14.503 6.536 1.00 0.60 C ATOM 402 OG SER A 54 8.981 15.770 6.775 1.00 1.30 O ATOM 0 H SER A 54 6.707 12.522 6.355 1.00 0.49 H new ATOM 0 HA SER A 54 7.327 14.573 8.393 1.00 0.53 H new ATOM 0 HB2 SER A 54 9.103 13.716 6.788 1.00 0.60 H new ATOM 0 HB3 SER A 54 8.165 14.400 5.475 1.00 0.60 H new ATOM 0 HG SER A 54 8.278 16.448 6.853 1.00 1.30 H new ATOM 408 N LEU A 55 4.928 14.643 6.379 1.00 0.54 N ATOM 409 CA LEU A 55 3.787 15.392 5.883 1.00 0.57 C ATOM 410 C LEU A 55 2.662 15.388 6.913 1.00 0.65 C ATOM 411 O LEU A 55 2.037 14.357 7.159 1.00 0.65 O ATOM 412 CB LEU A 55 3.302 14.810 4.551 1.00 0.51 C ATOM 413 CG LEU A 55 4.280 14.959 3.380 1.00 0.53 C ATOM 414 CD1 LEU A 55 3.764 14.218 2.156 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.503 16.426 3.052 1.00 0.64 C ATOM 0 H LEU A 55 4.816 13.630 6.336 1.00 0.54 H new ATOM 0 HA LEU A 55 4.095 16.424 5.713 1.00 0.57 H new ATOM 0 HB2 LEU A 55 3.088 13.751 4.692 1.00 0.51 H new ATOM 0 HB3 LEU A 55 2.362 15.292 4.283 1.00 0.51 H new ATOM 0 HG LEU A 55 5.234 14.521 3.675 1.00 0.53 H new ATOM 0 HD11 LEU A 55 4.471 14.335 1.335 1.00 0.56 H new ATOM 0 HD12 LEU A 55 3.653 13.160 2.391 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.797 14.628 1.863 1.00 0.56 H new ATOM 0 HD21 LEU A 55 5.200 16.511 2.218 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.553 16.886 2.779 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.916 16.935 3.923 1.00 0.64 H new ATOM 427 N PRO A 56 2.395 16.547 7.537 1.00 0.81 N ATOM 428 CA PRO A 56 1.365 16.671 8.572 1.00 0.94 C ATOM 429 C PRO A 56 -0.038 16.714 7.977 1.00 0.88 C ATOM 430 O PRO A 56 -1.028 16.427 8.651 1.00 1.19 O ATOM 431 CB PRO A 56 1.710 17.994 9.251 1.00 1.14 C ATOM 432 CG PRO A 56 2.373 18.805 8.190 1.00 1.26 C ATOM 433 CD PRO A 56 3.081 17.830 7.285 1.00 0.98 C ATOM 0 HA PRO A 56 1.356 15.822 9.255 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.816 18.490 9.627 1.00 1.14 H new ATOM 0 HB3 PRO A 56 2.372 17.840 10.103 1.00 1.14 H new ATOM 0 HG2 PRO A 56 1.640 19.389 7.633 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.079 19.512 8.626 1.00 1.26 H new ATOM 0 HD2 PRO A 56 3.002 18.126 6.239 1.00 0.98 H new ATOM 0 HD3 PRO A 56 4.144 17.767 7.519 1.00 0.98 H new ATOM 441 N ASN A 57 -0.106 17.057 6.700 1.00 0.63 N ATOM 442 CA ASN A 57 -1.367 17.085 5.975 1.00 0.62 C ATOM 443 C ASN A 57 -1.745 15.675 5.548 1.00 0.57 C ATOM 444 O ASN A 57 -2.929 15.324 5.473 1.00 0.59 O ATOM 445 CB ASN A 57 -1.280 18.026 4.760 1.00 0.68 C ATOM 446 CG ASN A 57 0.000 17.864 3.948 1.00 1.32 C ATOM 447 OD1 ASN A 57 0.592 16.788 3.886 1.00 2.22 O ATOM 448 ND2 ASN A 57 0.438 18.942 3.317 1.00 1.73 N ATOM 0 H ASN A 57 0.705 17.322 6.140 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.145 17.471 6.634 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -2.137 17.846 4.111 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.353 19.057 5.105 1.00 0.68 H new ATOM 0 HD21 ASN A 57 1.290 18.895 2.759 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -0.077 19.820 3.389 1.00 1.73 H new ATOM 455 N PHE A 58 -0.721 14.868 5.293 1.00 0.62 N ATOM 456 CA PHE A 58 -0.897 13.472 4.932 1.00 0.70 C ATOM 457 C PHE A 58 -1.791 12.759 5.929 1.00 0.90 C ATOM 458 O PHE A 58 -2.685 12.033 5.540 1.00 1.77 O ATOM 459 CB PHE A 58 0.453 12.763 4.858 1.00 0.69 C ATOM 460 CG PHE A 58 0.334 11.277 4.697 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.056 10.735 3.489 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.616 10.424 5.751 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.162 9.372 3.329 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.508 9.056 5.598 1.00 1.15 C ATOM 465 CZ PHE A 58 0.118 8.530 4.383 1.00 0.69 C ATOM 0 H PHE A 58 0.254 15.166 5.332 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.373 13.442 3.952 1.00 0.70 H new ATOM 0 HB2 PHE A 58 1.023 13.168 4.022 1.00 0.69 H new ATOM 0 HB3 PHE A 58 1.019 12.979 5.764 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.281 11.388 2.659 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.923 10.833 6.702 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.465 8.962 2.377 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.728 8.399 6.427 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.032 7.461 4.259 1.00 0.69 H new ATOM 475 N SER A 59 -1.534 12.972 7.210 1.00 0.91 N ATOM 476 CA SER A 59 -2.304 12.341 8.274 1.00 1.02 C ATOM 477 C SER A 59 -3.824 12.453 8.075 1.00 1.10 C ATOM 478 O SER A 59 -4.573 11.599 8.558 1.00 1.84 O ATOM 479 CB SER A 59 -1.898 12.954 9.610 1.00 1.21 C ATOM 480 OG SER A 59 -0.493 12.881 9.779 1.00 1.84 O ATOM 0 H SER A 59 -0.789 13.584 7.542 1.00 0.91 H new ATOM 0 HA SER A 59 -2.076 11.275 8.255 1.00 1.02 H new ATOM 0 HB2 SER A 59 -2.223 13.994 9.654 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.397 12.429 10.425 1.00 1.21 H new ATOM 0 HG SER A 59 -0.246 13.279 10.640 1.00 1.84 H new ATOM 486 N GLY A 60 -4.288 13.487 7.371 1.00 0.91 N ATOM 487 CA GLY A 60 -5.710 13.650 7.159 1.00 0.87 C ATOM 488 C GLY A 60 -6.236 12.850 5.982 1.00 0.66 C ATOM 489 O GLY A 60 -7.401 12.458 5.971 1.00 0.73 O ATOM 0 H GLY A 60 -3.704 14.208 6.948 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.242 13.348 8.061 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -5.928 14.706 6.998 1.00 0.87 H new ATOM 493 N ILE A 61 -5.388 12.592 4.992 1.00 0.50 N ATOM 494 CA ILE A 61 -5.820 11.833 3.821 1.00 0.54 C ATOM 495 C ILE A 61 -5.084 10.500 3.742 1.00 0.73 C ATOM 496 O ILE A 61 -4.111 10.283 4.448 1.00 1.81 O ATOM 497 CB ILE A 61 -5.631 12.604 2.485 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.146 12.875 2.169 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.426 13.902 2.516 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.643 14.220 2.633 1.00 0.78 C ATOM 0 H ILE A 61 -4.413 12.891 4.974 1.00 0.50 H new ATOM 0 HA ILE A 61 -6.889 11.665 3.952 1.00 0.54 H new ATOM 0 HB ILE A 61 -6.010 11.971 1.682 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.541 12.095 2.632 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.997 12.797 1.092 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -6.288 14.436 1.576 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.484 13.678 2.654 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -6.076 14.523 3.341 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.591 14.326 2.370 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -4.219 15.010 2.151 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.756 14.297 3.714 1.00 0.78 H new ATOM 512 N PHE A 62 -5.579 9.599 2.908 1.00 0.58 N ATOM 513 CA PHE A 62 -4.908 8.322 2.653 1.00 0.50 C ATOM 514 C PHE A 62 -4.826 7.504 3.940 1.00 0.51 C ATOM 515 O PHE A 62 -3.741 7.240 4.468 1.00 0.76 O ATOM 516 CB PHE A 62 -3.506 8.542 2.062 1.00 0.50 C ATOM 517 CG PHE A 62 -3.467 9.529 0.922 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.588 9.767 0.144 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.308 10.227 0.637 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.550 10.676 -0.889 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.269 11.134 -0.400 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.387 11.357 -1.159 1.00 0.59 C ATOM 0 H PHE A 62 -6.449 9.725 2.390 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.495 7.767 1.921 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -2.841 8.889 2.852 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.116 7.586 1.714 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.504 9.233 0.350 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.423 10.060 1.234 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.432 10.854 -1.486 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.356 11.669 -0.614 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.355 12.069 -1.971 1.00 0.59 H new ATOM 532 N THR A 63 -5.989 7.095 4.419 1.00 0.34 N ATOM 533 CA THR A 63 -6.121 6.424 5.701 1.00 0.38 C ATOM 534 C THR A 63 -5.401 5.081 5.713 1.00 0.30 C ATOM 535 O THR A 63 -4.661 4.767 6.647 1.00 0.38 O ATOM 536 CB THR A 63 -7.612 6.207 6.037 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.289 7.471 6.079 1.00 0.78 O ATOM 538 CG2 THR A 63 -7.787 5.489 7.369 1.00 0.66 C ATOM 0 H THR A 63 -6.873 7.220 3.926 1.00 0.34 H new ATOM 0 HA THR A 63 -5.660 7.065 6.453 1.00 0.38 H new ATOM 0 HB THR A 63 -8.043 5.581 5.256 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.235 7.328 6.291 1.00 0.78 H new ATOM 0 HG21 THR A 63 -8.849 5.354 7.573 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.299 4.515 7.324 1.00 0.66 H new ATOM 0 HG23 THR A 63 -7.338 6.084 8.165 1.00 0.66 H new ATOM 546 N HIS A 64 -5.599 4.292 4.669 1.00 0.26 N ATOM 547 CA HIS A 64 -5.065 2.932 4.658 1.00 0.25 C ATOM 548 C HIS A 64 -3.651 2.875 4.121 1.00 0.25 C ATOM 549 O HIS A 64 -2.881 1.992 4.495 1.00 0.54 O ATOM 550 CB HIS A 64 -5.960 1.999 3.855 1.00 0.33 C ATOM 551 CG HIS A 64 -7.162 1.555 4.617 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.552 0.238 4.719 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.048 2.266 5.342 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.628 0.164 5.481 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.947 1.381 5.871 1.00 0.68 N ATOM 0 H HIS A 64 -6.115 4.559 3.831 1.00 0.26 H new ATOM 0 HA HIS A 64 -5.042 2.600 5.696 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.279 2.504 2.944 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.385 1.125 3.550 1.00 0.33 H new ATOM 0 HD2 HIS A 64 -8.048 3.337 5.480 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.157 -0.741 5.740 1.00 0.83 H new ATOM 0 HE2 HIS A 64 -9.736 1.624 6.470 1.00 0.68 H new ATOM 564 N LEU A 65 -3.297 3.826 3.279 1.00 0.32 N ATOM 565 CA LEU A 65 -2.023 3.783 2.585 1.00 0.22 C ATOM 566 C LEU A 65 -0.847 3.909 3.544 1.00 0.20 C ATOM 567 O LEU A 65 0.162 3.219 3.381 1.00 0.24 O ATOM 568 CB LEU A 65 -1.972 4.857 1.514 1.00 0.29 C ATOM 569 CG LEU A 65 -2.803 4.552 0.275 1.00 0.36 C ATOM 570 CD1 LEU A 65 -4.034 5.405 0.240 1.00 0.84 C ATOM 571 CD2 LEU A 65 -1.974 4.736 -0.965 1.00 0.99 C ATOM 0 H LEU A 65 -3.873 4.638 3.058 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.938 2.807 2.106 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.315 5.798 1.944 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.935 5.004 1.213 1.00 0.29 H new ATOM 0 HG LEU A 65 -3.125 3.511 0.316 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -4.613 5.171 -0.653 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -4.638 5.209 1.126 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -3.748 6.457 0.222 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -2.580 4.515 -1.844 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -1.621 5.766 -1.017 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -1.119 4.061 -0.934 1.00 0.99 H new ATOM 583 N GLU A 66 -0.985 4.778 4.542 1.00 0.30 N ATOM 584 CA GLU A 66 0.046 4.961 5.561 1.00 0.40 C ATOM 585 C GLU A 66 0.502 3.620 6.132 1.00 0.38 C ATOM 586 O GLU A 66 1.676 3.252 6.034 1.00 0.38 O ATOM 587 CB GLU A 66 -0.491 5.843 6.691 1.00 0.53 C ATOM 588 CG GLU A 66 0.494 6.047 7.830 1.00 0.88 C ATOM 589 CD GLU A 66 -0.113 6.780 9.006 1.00 1.12 C ATOM 590 OE1 GLU A 66 -0.981 6.201 9.696 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.285 7.933 9.264 1.00 1.75 O ATOM 0 H GLU A 66 -1.806 5.370 4.667 1.00 0.30 H new ATOM 0 HA GLU A 66 0.903 5.444 5.092 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.765 6.815 6.282 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.403 5.395 7.087 1.00 0.53 H new ATOM 0 HG2 GLU A 66 0.863 5.077 8.163 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.355 6.607 7.464 1.00 0.88 H new ATOM 598 N ARG A 67 -0.437 2.893 6.723 1.00 0.42 N ATOM 599 CA ARG A 67 -0.132 1.611 7.340 1.00 0.44 C ATOM 600 C ARG A 67 0.236 0.555 6.299 1.00 0.39 C ATOM 601 O ARG A 67 1.004 -0.358 6.593 1.00 0.40 O ATOM 602 CB ARG A 67 -1.307 1.116 8.170 1.00 0.54 C ATOM 603 CG ARG A 67 -0.962 -0.102 9.008 1.00 0.74 C ATOM 604 CD ARG A 67 -2.209 -0.848 9.433 1.00 0.86 C ATOM 605 NE ARG A 67 -2.877 -1.449 8.283 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.173 -1.349 8.027 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.976 -0.688 8.852 1.00 1.71 N ATOM 608 NH2 ARG A 67 -4.667 -1.917 6.939 1.00 2.07 N ATOM 0 H ARG A 67 -1.416 3.170 6.788 1.00 0.42 H new ATOM 0 HA ARG A 67 0.729 1.768 7.990 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.647 1.918 8.825 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.137 0.872 7.507 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.314 -0.767 8.437 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.402 0.208 9.891 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -1.945 -1.624 10.151 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -2.891 -0.164 9.938 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.305 -1.984 7.630 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.597 -0.251 9.692 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.972 -0.617 8.646 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -4.051 -2.427 6.305 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -5.664 -1.845 6.734 1.00 2.07 H new ATOM 622 N LEU A 68 -0.311 0.673 5.093 1.00 0.35 N ATOM 623 CA LEU A 68 -0.008 -0.276 4.023 1.00 0.34 C ATOM 624 C LEU A 68 1.494 -0.365 3.781 1.00 0.31 C ATOM 625 O LEU A 68 2.052 -1.451 3.759 1.00 0.40 O ATOM 626 CB LEU A 68 -0.730 0.110 2.731 1.00 0.33 C ATOM 627 CG LEU A 68 -2.187 -0.335 2.642 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.816 0.171 1.357 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.295 -1.852 2.726 1.00 0.61 C ATOM 0 H LEU A 68 -0.963 1.412 4.831 1.00 0.35 H new ATOM 0 HA LEU A 68 -0.364 -1.257 4.339 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.691 1.194 2.622 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.185 -0.315 1.888 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.728 0.092 3.487 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.855 -0.154 1.308 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.775 1.260 1.336 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.270 -0.229 0.503 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.342 -2.146 2.660 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.739 -2.302 1.904 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.881 -2.194 3.674 1.00 0.61 H new ATOM 641 N LEU A 69 2.125 0.780 3.548 1.00 0.27 N ATOM 642 CA LEU A 69 3.599 0.844 3.506 1.00 0.24 C ATOM 643 C LEU A 69 4.217 0.065 4.668 1.00 0.25 C ATOM 644 O LEU A 69 5.141 -0.752 4.497 1.00 0.26 O ATOM 645 CB LEU A 69 4.119 2.283 3.572 1.00 0.25 C ATOM 646 CG LEU A 69 4.238 3.017 2.239 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.531 3.781 2.160 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.133 2.071 1.078 1.00 0.30 C ATOM 0 H LEU A 69 1.656 1.671 3.386 1.00 0.27 H new ATOM 0 HA LEU A 69 3.891 0.401 2.554 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.458 2.857 4.222 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.101 2.271 4.046 1.00 0.25 H new ATOM 0 HG LEU A 69 3.407 3.721 2.184 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.592 4.295 1.201 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.571 4.513 2.967 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.368 3.090 2.255 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.222 2.628 0.145 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.932 1.332 1.137 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.168 1.565 1.107 1.00 0.30 H new ATOM 660 N ASP A 70 3.650 0.255 5.843 1.00 0.29 N ATOM 661 CA ASP A 70 4.242 -0.285 7.046 1.00 0.35 C ATOM 662 C ASP A 70 4.139 -1.804 7.006 1.00 0.38 C ATOM 663 O ASP A 70 4.959 -2.512 7.594 1.00 0.43 O ATOM 664 CB ASP A 70 3.559 0.295 8.285 1.00 0.43 C ATOM 665 CG ASP A 70 4.402 0.150 9.531 1.00 0.91 C ATOM 666 OD1 ASP A 70 4.136 -0.765 10.338 1.00 1.62 O ATOM 667 OD2 ASP A 70 5.346 0.948 9.708 1.00 1.56 O ATOM 0 H ASP A 70 2.785 0.776 5.988 1.00 0.29 H new ATOM 0 HA ASP A 70 5.294 -0.007 7.101 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.343 1.350 8.117 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.603 -0.206 8.437 1.00 0.43 H new ATOM 672 N GLU A 71 3.139 -2.299 6.272 1.00 0.42 N ATOM 673 CA GLU A 71 2.987 -3.721 6.013 1.00 0.50 C ATOM 674 C GLU A 71 3.907 -4.169 4.877 1.00 0.45 C ATOM 675 O GLU A 71 4.773 -5.004 5.085 1.00 0.48 O ATOM 676 CB GLU A 71 1.541 -4.034 5.626 1.00 0.61 C ATOM 677 CG GLU A 71 0.512 -3.620 6.662 1.00 0.94 C ATOM 678 CD GLU A 71 -0.905 -3.814 6.166 1.00 1.47 C ATOM 679 OE1 GLU A 71 -1.771 -2.969 6.479 1.00 2.14 O ATOM 680 OE2 GLU A 71 -1.156 -4.816 5.462 1.00 2.18 O ATOM 0 H GLU A 71 2.416 -1.721 5.844 1.00 0.42 H new ATOM 0 HA GLU A 71 3.254 -4.257 6.924 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.313 -3.534 4.685 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.449 -5.105 5.448 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.660 -4.202 7.572 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.664 -2.573 6.925 1.00 0.94 H new ATOM 687 N GLU A 72 3.743 -3.572 3.688 1.00 0.43 N ATOM 688 CA GLU A 72 4.437 -4.034 2.476 1.00 0.45 C ATOM 689 C GLU A 72 5.938 -3.832 2.611 1.00 0.42 C ATOM 690 O GLU A 72 6.722 -4.688 2.229 1.00 0.47 O ATOM 691 CB GLU A 72 3.930 -3.300 1.227 1.00 0.46 C ATOM 692 CG GLU A 72 4.671 -3.685 -0.054 1.00 0.57 C ATOM 693 CD GLU A 72 4.307 -5.068 -0.571 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.720 -6.073 0.048 1.00 1.69 O ATOM 695 OE2 GLU A 72 3.623 -5.160 -1.617 1.00 1.33 O ATOM 0 H GLU A 72 3.135 -2.767 3.539 1.00 0.43 H new ATOM 0 HA GLU A 72 4.224 -5.097 2.362 1.00 0.45 H new ATOM 0 HB2 GLU A 72 2.868 -3.509 1.099 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.026 -2.226 1.383 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.453 -2.948 -0.827 1.00 0.57 H new ATOM 0 HG3 GLU A 72 5.745 -3.645 0.130 1.00 0.57 H new ATOM 702 N ILE A 73 6.321 -2.712 3.201 1.00 0.35 N ATOM 703 CA ILE A 73 7.727 -2.438 3.449 1.00 0.34 C ATOM 704 C ILE A 73 8.264 -3.512 4.365 1.00 0.40 C ATOM 705 O ILE A 73 9.369 -4.016 4.178 1.00 0.45 O ATOM 706 CB ILE A 73 7.959 -1.045 4.077 1.00 0.29 C ATOM 707 CG1 ILE A 73 7.839 0.029 3.002 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.314 -0.962 4.773 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.097 1.423 3.516 1.00 0.27 C ATOM 0 H ILE A 73 5.683 -1.981 3.516 1.00 0.35 H new ATOM 0 HA ILE A 73 8.251 -2.440 2.493 1.00 0.34 H new ATOM 0 HB ILE A 73 7.195 -0.880 4.837 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.543 -0.190 2.200 1.00 0.27 H new ATOM 0 HG13 ILE A 73 6.840 -0.011 2.569 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.442 0.032 5.203 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.362 -1.709 5.565 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.107 -1.149 4.049 1.00 0.33 H new ATOM 0 HD11 ILE A 73 7.995 2.137 2.699 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.376 1.662 4.298 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.106 1.480 3.923 1.00 0.27 H new ATOM 721 N SER A 74 7.439 -3.899 5.322 1.00 0.41 N ATOM 722 CA SER A 74 7.813 -4.973 6.238 1.00 0.49 C ATOM 723 C SER A 74 7.899 -6.325 5.503 1.00 0.54 C ATOM 724 O SER A 74 8.805 -7.127 5.753 1.00 0.60 O ATOM 725 CB SER A 74 6.815 -5.062 7.396 1.00 0.52 C ATOM 726 OG SER A 74 7.255 -5.973 8.392 1.00 1.34 O ATOM 0 H SER A 74 6.517 -3.495 5.488 1.00 0.41 H new ATOM 0 HA SER A 74 8.799 -4.742 6.641 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.680 -4.075 7.838 1.00 0.52 H new ATOM 0 HB3 SER A 74 5.843 -5.377 7.017 1.00 0.52 H new ATOM 0 HG SER A 74 6.715 -6.789 8.350 1.00 1.34 H new ATOM 732 N ARG A 75 6.962 -6.558 4.584 1.00 0.55 N ATOM 733 CA ARG A 75 6.898 -7.812 3.825 1.00 0.63 C ATOM 734 C ARG A 75 8.126 -7.941 2.946 1.00 0.65 C ATOM 735 O ARG A 75 8.791 -8.974 2.923 1.00 0.72 O ATOM 736 CB ARG A 75 5.662 -7.844 2.919 1.00 0.74 C ATOM 737 CG ARG A 75 4.376 -7.415 3.597 1.00 0.76 C ATOM 738 CD ARG A 75 3.626 -8.572 4.234 1.00 1.25 C ATOM 739 NE ARG A 75 2.733 -9.221 3.277 1.00 1.84 N ATOM 740 CZ ARG A 75 1.541 -8.730 2.921 1.00 2.73 C ATOM 741 NH1 ARG A 75 1.099 -7.590 3.439 1.00 3.05 N ATOM 742 NH2 ARG A 75 0.792 -9.377 2.042 1.00 3.67 N ATOM 0 H ARG A 75 6.230 -5.890 4.344 1.00 0.55 H new ATOM 0 HA ARG A 75 6.846 -8.632 4.541 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.839 -7.196 2.061 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.535 -8.856 2.534 1.00 0.74 H new ATOM 0 HG2 ARG A 75 4.605 -6.673 4.362 1.00 0.76 H new ATOM 0 HG3 ARG A 75 3.730 -6.930 2.865 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.339 -9.301 4.621 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.049 -8.209 5.084 1.00 1.25 H new ATOM 0 HE ARG A 75 3.036 -10.099 2.856 1.00 1.84 H new ATOM 0 HH11 ARG A 75 1.670 -7.081 4.114 1.00 3.05 H new ATOM 0 HH12 ARG A 75 0.189 -7.223 3.162 1.00 3.05 H new ATOM 0 HH21 ARG A 75 1.124 -10.252 1.635 1.00 3.67 H new ATOM 0 HH22 ARG A 75 -0.117 -9.001 1.772 1.00 3.67 H new ATOM 756 N VAL A 76 8.411 -6.863 2.236 1.00 0.62 N ATOM 757 CA VAL A 76 9.522 -6.800 1.299 1.00 0.67 C ATOM 758 C VAL A 76 10.861 -7.010 2.009 1.00 0.71 C ATOM 759 O VAL A 76 11.805 -7.542 1.431 1.00 0.84 O ATOM 760 CB VAL A 76 9.515 -5.441 0.560 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.728 -5.287 -0.335 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.239 -5.286 -0.254 1.00 0.58 C ATOM 0 H VAL A 76 7.873 -5.998 2.294 1.00 0.62 H new ATOM 0 HA VAL A 76 9.399 -7.604 0.573 1.00 0.67 H new ATOM 0 HB VAL A 76 9.554 -4.655 1.314 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.689 -4.321 -0.838 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.634 -5.346 0.267 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.734 -6.083 -1.079 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.250 -4.325 -0.768 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.176 -6.089 -0.988 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.376 -5.333 0.410 1.00 0.58 H new ATOM 772 N ARG A 77 10.923 -6.629 3.279 1.00 0.65 N ATOM 773 CA ARG A 77 12.147 -6.782 4.056 1.00 0.73 C ATOM 774 C ARG A 77 12.337 -8.237 4.467 1.00 0.86 C ATOM 775 O ARG A 77 13.464 -8.715 4.601 1.00 0.98 O ATOM 776 CB ARG A 77 12.124 -5.885 5.294 1.00 0.75 C ATOM 777 CG ARG A 77 12.191 -4.403 4.973 1.00 0.81 C ATOM 778 CD ARG A 77 12.129 -3.557 6.235 1.00 0.84 C ATOM 779 NE ARG A 77 13.316 -3.733 7.071 1.00 1.39 N ATOM 780 CZ ARG A 77 13.343 -3.525 8.386 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.243 -3.154 9.031 1.00 1.45 N ATOM 782 NH2 ARG A 77 14.477 -3.686 9.055 1.00 2.73 N ATOM 0 H ARG A 77 10.144 -6.214 3.791 1.00 0.65 H new ATOM 0 HA ARG A 77 12.985 -6.480 3.428 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.214 -6.085 5.860 1.00 0.75 H new ATOM 0 HB3 ARG A 77 12.964 -6.147 5.938 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.114 -4.188 4.434 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.366 -4.135 4.313 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.030 -2.506 5.963 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.240 -3.823 6.807 1.00 0.84 H new ATOM 0 HE ARG A 77 14.179 -4.034 6.618 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.370 -3.027 8.519 1.00 1.45 H new ATOM 0 HH12 ARG A 77 12.271 -2.996 10.038 1.00 1.45 H new ATOM 0 HH21 ARG A 77 15.324 -3.968 8.562 1.00 2.73 H new ATOM 0 HH22 ARG A 77 14.502 -3.528 10.062 1.00 2.73 H new ATOM 796 N LYS A 78 11.226 -8.936 4.652 1.00 0.90 N ATOM 797 CA LYS A 78 11.257 -10.341 5.017 1.00 1.08 C ATOM 798 C LYS A 78 11.486 -11.199 3.773 1.00 1.11 C ATOM 799 O LYS A 78 12.251 -12.163 3.800 1.00 1.32 O ATOM 800 CB LYS A 78 9.956 -10.711 5.762 1.00 1.13 C ATOM 801 CG LYS A 78 9.418 -12.108 5.475 1.00 1.35 C ATOM 802 CD LYS A 78 8.443 -12.091 4.309 1.00 2.01 C ATOM 803 CE LYS A 78 7.078 -11.556 4.718 1.00 2.67 C ATOM 804 NZ LYS A 78 6.345 -12.502 5.602 1.00 3.44 N ATOM 0 H LYS A 78 10.288 -8.548 4.554 1.00 0.90 H new ATOM 0 HA LYS A 78 12.088 -10.535 5.695 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.132 -10.620 6.834 1.00 1.13 H new ATOM 0 HB3 LYS A 78 9.188 -9.983 5.502 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.246 -12.781 5.251 1.00 1.35 H new ATOM 0 HG3 LYS A 78 8.921 -12.499 6.363 1.00 1.35 H new ATOM 0 HD2 LYS A 78 8.848 -11.476 3.506 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.333 -13.100 3.913 1.00 2.01 H new ATOM 0 HE2 LYS A 78 7.202 -10.603 5.232 1.00 2.67 H new ATOM 0 HE3 LYS A 78 6.484 -11.361 3.825 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 5.343 -12.227 5.650 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 6.422 -13.466 5.219 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 6.757 -12.475 6.557 1.00 3.44 H new ATOM 818 N ASP A 79 10.836 -10.820 2.675 1.00 1.01 N ATOM 819 CA ASP A 79 10.969 -11.526 1.398 1.00 1.19 C ATOM 820 C ASP A 79 12.374 -11.384 0.801 1.00 1.41 C ATOM 821 O ASP A 79 12.668 -11.936 -0.260 1.00 1.67 O ATOM 822 CB ASP A 79 9.913 -11.007 0.411 1.00 1.23 C ATOM 823 CG ASP A 79 9.793 -11.865 -0.836 1.00 1.58 C ATOM 824 OD1 ASP A 79 9.196 -12.961 -0.756 1.00 2.21 O ATOM 825 OD2 ASP A 79 10.271 -11.442 -1.908 1.00 1.94 O ATOM 0 H ASP A 79 10.205 -10.019 2.643 1.00 1.01 H new ATOM 0 HA ASP A 79 10.808 -12.588 1.585 1.00 1.19 H new ATOM 0 HB2 ASP A 79 8.945 -10.966 0.911 1.00 1.23 H new ATOM 0 HB3 ASP A 79 10.165 -9.987 0.121 1.00 1.23 H new ATOM 830 N MET A 80 13.256 -10.680 1.502 1.00 1.50 N ATOM 831 CA MET A 80 14.631 -10.516 1.044 1.00 1.83 C ATOM 832 C MET A 80 15.387 -11.821 1.215 1.00 2.15 C ATOM 833 O MET A 80 16.311 -12.125 0.461 1.00 2.62 O ATOM 834 CB MET A 80 15.339 -9.400 1.813 1.00 2.04 C ATOM 835 CG MET A 80 14.840 -8.012 1.465 1.00 1.57 C ATOM 836 SD MET A 80 15.111 -7.593 -0.269 1.00 1.42 S ATOM 837 CE MET A 80 14.312 -5.995 -0.350 1.00 0.99 C ATOM 0 H MET A 80 13.045 -10.216 2.385 1.00 1.50 H new ATOM 0 HA MET A 80 14.610 -10.241 -0.011 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.207 -9.567 2.882 1.00 2.04 H new ATOM 0 HB3 MET A 80 16.409 -9.453 1.611 1.00 2.04 H new ATOM 0 HG2 MET A 80 13.775 -7.946 1.689 1.00 1.57 H new ATOM 0 HG3 MET A 80 15.345 -7.280 2.095 1.00 1.57 H new ATOM 0 HE1 MET A 80 13.795 -5.895 -1.304 1.00 0.99 H new ATOM 0 HE2 MET A 80 13.592 -5.906 0.464 1.00 0.99 H new ATOM 0 HE3 MET A 80 15.061 -5.209 -0.259 1.00 0.99 H new ATOM 847 N TYR A 81 14.980 -12.597 2.206 1.00 2.56 N ATOM 848 CA TYR A 81 15.580 -13.892 2.454 1.00 3.12 C ATOM 849 C TYR A 81 14.507 -14.915 2.805 1.00 3.69 C ATOM 850 O TYR A 81 14.108 -14.994 3.979 1.00 4.24 O ATOM 851 CB TYR A 81 16.665 -13.807 3.545 1.00 3.70 C ATOM 852 CG TYR A 81 16.301 -12.983 4.769 1.00 4.11 C ATOM 853 CD1 TYR A 81 16.354 -11.595 4.737 1.00 4.28 C ATOM 854 CD2 TYR A 81 15.932 -13.596 5.961 1.00 4.77 C ATOM 855 CE1 TYR A 81 16.048 -10.842 5.854 1.00 4.93 C ATOM 856 CE2 TYR A 81 15.619 -12.848 7.081 1.00 5.51 C ATOM 857 CZ TYR A 81 15.680 -11.472 7.022 1.00 5.52 C ATOM 858 OH TYR A 81 15.381 -10.723 8.137 1.00 6.40 O ATOM 859 OXT TYR A 81 14.049 -15.626 1.885 1.00 4.07 O ATOM 0 H TYR A 81 14.232 -12.348 2.854 1.00 2.56 H new ATOM 0 HA TYR A 81 16.074 -14.223 1.540 1.00 3.12 H new ATOM 0 HB2 TYR A 81 16.909 -14.819 3.869 1.00 3.70 H new ATOM 0 HB3 TYR A 81 17.568 -13.388 3.102 1.00 3.70 H new ATOM 0 HD1 TYR A 81 16.639 -11.096 3.823 1.00 4.28 H new ATOM 0 HD2 TYR A 81 15.889 -14.674 6.013 1.00 4.77 H new ATOM 0 HE1 TYR A 81 16.097 -9.764 5.811 1.00 4.93 H new ATOM 0 HE2 TYR A 81 15.328 -13.339 7.998 1.00 5.51 H new ATOM 0 HH TYR A 81 15.139 -11.319 8.876 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 11.409 -10.713 11.921 1.00 7.36 N ATOM 871 CA GLY B -2 10.833 -9.806 10.904 1.00 7.05 C ATOM 872 C GLY B -2 9.629 -10.412 10.219 1.00 6.50 C ATOM 873 O GLY B -2 9.749 -11.409 9.506 1.00 6.41 O ATOM 0 H1 GLY B -2 12.232 -10.258 12.366 1.00 7.36 H new ATOM 0 H2 GLY B -2 10.693 -10.920 12.647 1.00 7.36 H new ATOM 0 H3 GLY B -2 11.707 -11.600 11.466 1.00 7.36 H new ATOM 0 HA2 GLY B -2 10.546 -8.867 11.377 1.00 7.05 H new ATOM 0 HA3 GLY B -2 11.592 -9.568 10.159 1.00 7.05 H new ATOM 879 N SER B -1 8.469 -9.818 10.443 1.00 6.41 N ATOM 880 CA SER B -1 7.230 -10.289 9.849 1.00 6.10 C ATOM 881 C SER B -1 6.157 -9.211 9.983 1.00 5.79 C ATOM 882 O SER B -1 5.726 -8.633 8.980 1.00 6.09 O ATOM 883 CB SER B -1 6.776 -11.588 10.530 1.00 6.39 C ATOM 884 OG SER B -1 5.649 -12.149 9.877 1.00 6.64 O ATOM 0 H SER B -1 8.360 -8.998 11.040 1.00 6.41 H new ATOM 0 HA SER B -1 7.394 -10.496 8.791 1.00 6.10 H new ATOM 0 HB2 SER B -1 7.595 -12.307 10.527 1.00 6.39 H new ATOM 0 HB3 SER B -1 6.531 -11.387 11.573 1.00 6.39 H new ATOM 0 HG SER B -1 5.385 -12.976 10.333 1.00 6.64 H new ATOM 890 N LYS B 32 5.755 -8.943 11.227 1.00 5.47 N ATOM 891 CA LYS B 32 4.752 -7.924 11.547 1.00 5.31 C ATOM 892 C LYS B 32 3.352 -8.343 11.096 1.00 4.83 C ATOM 893 O LYS B 32 3.152 -8.815 9.972 1.00 4.65 O ATOM 894 CB LYS B 32 5.120 -6.572 10.930 1.00 5.58 C ATOM 895 CG LYS B 32 4.156 -5.455 11.295 1.00 6.01 C ATOM 896 CD LYS B 32 4.481 -4.166 10.561 1.00 6.39 C ATOM 897 CE LYS B 32 5.885 -3.676 10.877 1.00 7.09 C ATOM 898 NZ LYS B 32 6.198 -2.405 10.180 1.00 7.47 N ATOM 0 H LYS B 32 6.118 -9.430 12.046 1.00 5.47 H new ATOM 0 HA LYS B 32 4.741 -7.822 12.632 1.00 5.31 H new ATOM 0 HB2 LYS B 32 6.123 -6.295 11.254 1.00 5.58 H new ATOM 0 HB3 LYS B 32 5.152 -6.673 9.845 1.00 5.58 H new ATOM 0 HG2 LYS B 32 3.138 -5.762 11.057 1.00 6.01 H new ATOM 0 HG3 LYS B 32 4.193 -5.280 12.370 1.00 6.01 H new ATOM 0 HD2 LYS B 32 4.384 -4.325 9.487 1.00 6.39 H new ATOM 0 HD3 LYS B 32 3.757 -3.399 10.836 1.00 6.39 H new ATOM 0 HE2 LYS B 32 5.986 -3.534 11.953 1.00 7.09 H new ATOM 0 HE3 LYS B 32 6.609 -4.437 10.586 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 7.214 -2.202 10.269 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 5.948 -2.490 9.174 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 5.651 -1.631 10.608 1.00 7.47 H new ATOM 912 N GLU B 33 2.386 -8.152 11.979 1.00 4.82 N ATOM 913 CA GLU B 33 1.004 -8.503 11.700 1.00 4.46 C ATOM 914 C GLU B 33 0.201 -7.254 11.355 1.00 4.00 C ATOM 915 O GLU B 33 0.634 -6.133 11.626 1.00 4.07 O ATOM 916 CB GLU B 33 0.366 -9.219 12.901 1.00 4.70 C ATOM 917 CG GLU B 33 0.289 -8.374 14.167 1.00 4.79 C ATOM 918 CD GLU B 33 1.622 -8.226 14.869 1.00 4.98 C ATOM 919 OE1 GLU B 33 1.919 -9.046 15.762 1.00 5.29 O ATOM 920 OE2 GLU B 33 2.378 -7.290 14.534 1.00 5.19 O ATOM 0 H GLU B 33 2.537 -7.751 12.905 1.00 4.82 H new ATOM 0 HA GLU B 33 0.993 -9.182 10.847 1.00 4.46 H new ATOM 0 HB2 GLU B 33 -0.641 -9.535 12.628 1.00 4.70 H new ATOM 0 HB3 GLU B 33 0.937 -10.123 13.115 1.00 4.70 H new ATOM 0 HG2 GLU B 33 -0.092 -7.385 13.913 1.00 4.79 H new ATOM 0 HG3 GLU B 33 -0.428 -8.825 14.854 1.00 4.79 H new ATOM 927 N LYS B 34 -0.961 -7.450 10.753 1.00 3.73 N ATOM 928 CA LYS B 34 -1.822 -6.339 10.387 1.00 3.44 C ATOM 929 C LYS B 34 -3.285 -6.783 10.372 1.00 3.03 C ATOM 930 O LYS B 34 -3.563 -7.982 10.411 1.00 3.00 O ATOM 931 CB LYS B 34 -1.407 -5.782 9.019 1.00 3.71 C ATOM 932 CG LYS B 34 -1.916 -6.574 7.818 1.00 4.14 C ATOM 933 CD LYS B 34 -1.278 -7.948 7.710 1.00 4.59 C ATOM 934 CE LYS B 34 -1.649 -8.628 6.403 1.00 5.29 C ATOM 935 NZ LYS B 34 -3.121 -8.662 6.191 1.00 5.79 N ATOM 0 H LYS B 34 -1.329 -8.369 10.508 1.00 3.73 H new ATOM 0 HA LYS B 34 -1.715 -5.548 11.129 1.00 3.44 H new ATOM 0 HB2 LYS B 34 -1.766 -4.756 8.937 1.00 3.71 H new ATOM 0 HB3 LYS B 34 -0.319 -5.743 8.975 1.00 3.71 H new ATOM 0 HG2 LYS B 34 -2.998 -6.685 7.893 1.00 4.14 H new ATOM 0 HG3 LYS B 34 -1.716 -6.012 6.906 1.00 4.14 H new ATOM 0 HD2 LYS B 34 -0.194 -7.854 7.779 1.00 4.59 H new ATOM 0 HD3 LYS B 34 -1.598 -8.567 8.548 1.00 4.59 H new ATOM 0 HE2 LYS B 34 -1.175 -8.103 5.574 1.00 5.29 H new ATOM 0 HE3 LYS B 34 -1.259 -9.646 6.400 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 -3.341 -9.277 5.382 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 -3.586 -9.033 7.044 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 -3.466 -7.700 5.999 1.00 5.79 H new ATOM 949 N PRO B 35 -4.238 -5.830 10.341 1.00 2.88 N ATOM 950 CA PRO B 35 -5.674 -6.141 10.255 1.00 2.61 C ATOM 951 C PRO B 35 -6.012 -7.071 9.089 1.00 2.27 C ATOM 952 O PRO B 35 -5.344 -7.064 8.050 1.00 2.34 O ATOM 953 CB PRO B 35 -6.318 -4.769 10.043 1.00 2.80 C ATOM 954 CG PRO B 35 -5.368 -3.811 10.667 1.00 3.20 C ATOM 955 CD PRO B 35 -3.999 -4.374 10.414 1.00 3.15 C ATOM 0 HA PRO B 35 -6.026 -6.667 11.142 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -6.458 -4.556 8.983 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -7.301 -4.715 10.511 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -5.470 -2.818 10.230 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -5.559 -3.710 11.735 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -3.571 -3.990 9.488 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -3.305 -4.120 11.215 1.00 3.15 H new ATOM 963 N LYS B 36 -7.048 -7.874 9.277 1.00 2.08 N ATOM 964 CA LYS B 36 -7.488 -8.815 8.257 1.00 1.82 C ATOM 965 C LYS B 36 -8.310 -8.106 7.186 1.00 1.56 C ATOM 966 O LYS B 36 -9.018 -7.136 7.472 1.00 1.53 O ATOM 967 CB LYS B 36 -8.317 -9.936 8.893 1.00 1.80 C ATOM 968 CG LYS B 36 -9.542 -9.438 9.645 1.00 2.24 C ATOM 969 CD LYS B 36 -10.361 -10.586 10.210 1.00 2.52 C ATOM 970 CE LYS B 36 -11.598 -10.080 10.933 1.00 3.04 C ATOM 971 NZ LYS B 36 -12.389 -11.186 11.531 1.00 3.62 N ATOM 0 H LYS B 36 -7.603 -7.893 10.132 1.00 2.08 H new ATOM 0 HA LYS B 36 -6.604 -9.247 7.787 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -8.636 -10.627 8.113 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -7.684 -10.500 9.579 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -9.229 -8.781 10.456 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -10.163 -8.843 8.975 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -10.658 -11.255 9.403 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -9.748 -11.168 10.898 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -11.300 -9.384 11.717 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -12.224 -9.524 10.234 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -13.223 -10.795 12.014 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -12.697 -11.838 10.781 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -11.802 -11.701 12.217 1.00 3.62 H new ATOM 985 N PRO B 37 -8.212 -8.572 5.933 1.00 1.50 N ATOM 986 CA PRO B 37 -8.986 -8.018 4.823 1.00 1.33 C ATOM 987 C PRO B 37 -10.474 -8.338 4.951 1.00 1.15 C ATOM 988 O PRO B 37 -10.895 -9.490 4.820 1.00 1.28 O ATOM 989 CB PRO B 37 -8.383 -8.696 3.591 1.00 1.52 C ATOM 990 CG PRO B 37 -7.792 -9.963 4.100 1.00 1.75 C ATOM 991 CD PRO B 37 -7.328 -9.670 5.499 1.00 1.75 C ATOM 0 HA PRO B 37 -8.932 -6.930 4.783 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -9.144 -8.891 2.835 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -7.625 -8.066 3.125 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -8.528 -10.767 4.093 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -6.961 -10.286 3.473 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -7.425 -10.543 6.145 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -6.279 -9.373 5.520 1.00 1.75 H new ATOM 999 N THR B 38 -11.253 -7.312 5.242 1.00 0.97 N ATOM 1000 CA THR B 38 -12.697 -7.429 5.354 1.00 0.84 C ATOM 1001 C THR B 38 -13.374 -6.453 4.394 1.00 0.72 C ATOM 1002 O THR B 38 -12.689 -5.642 3.770 1.00 0.66 O ATOM 1003 CB THR B 38 -13.151 -7.127 6.798 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.607 -5.868 7.227 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.712 -8.229 7.748 1.00 0.95 C ATOM 0 H THR B 38 -10.901 -6.369 5.408 1.00 0.97 H new ATOM 0 HA THR B 38 -12.983 -8.449 5.098 1.00 0.84 H new ATOM 0 HB THR B 38 -14.240 -7.076 6.811 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.900 -5.680 8.143 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.044 -7.992 8.759 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.151 -9.176 7.434 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.625 -8.311 7.733 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.709 -6.507 4.231 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.424 -5.504 3.442 1.00 0.70 C ATOM 1015 C PRO B 39 -15.166 -4.099 3.971 1.00 0.62 C ATOM 1016 O PRO B 39 -14.918 -3.179 3.202 1.00 0.56 O ATOM 1017 CB PRO B 39 -16.893 -5.883 3.606 1.00 0.78 C ATOM 1018 CG PRO B 39 -16.872 -7.334 3.950 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.617 -7.546 4.752 1.00 0.83 C ATOM 0 HA PRO B 39 -15.105 -5.492 2.400 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.368 -5.296 4.392 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.454 -5.701 2.689 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.755 -7.613 4.525 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -16.870 -7.949 3.050 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.796 -7.426 5.820 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.210 -8.547 4.607 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.195 -3.955 5.296 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.896 -2.679 5.948 1.00 0.64 C ATOM 1029 C ASP B 40 -13.519 -2.192 5.520 1.00 0.57 C ATOM 1030 O ASP B 40 -13.340 -1.033 5.139 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.925 -2.838 7.473 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.215 -3.451 7.979 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -16.374 -4.686 7.865 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -17.073 -2.711 8.501 1.00 2.16 O ATOM 0 H ASP B 40 -15.424 -4.710 5.942 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.652 -1.952 5.651 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.086 -3.461 7.784 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.786 -1.862 7.937 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.558 -3.108 5.571 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.190 -2.851 5.134 1.00 0.54 C ATOM 1041 C TYR B 41 -11.174 -2.333 3.695 1.00 0.46 C ATOM 1042 O TYR B 41 -10.387 -1.450 3.347 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.384 -4.155 5.235 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.895 -4.026 4.986 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.389 -3.895 3.699 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -7.996 -4.053 6.042 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.031 -3.787 3.474 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.637 -3.947 5.823 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.160 -3.812 4.538 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.811 -3.690 4.312 1.00 0.82 O ATOM 0 H TYR B 41 -12.707 -4.055 5.919 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.743 -2.089 5.773 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.533 -4.577 6.229 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.793 -4.870 4.521 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.069 -3.877 2.860 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.365 -4.159 7.052 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.655 -3.683 2.467 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -5.950 -3.970 6.656 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.537 -4.326 3.619 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.071 -2.868 2.876 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.096 -2.561 1.453 1.00 0.39 C ATOM 1062 C LEU B 42 -12.862 -1.272 1.168 1.00 0.36 C ATOM 1063 O LEU B 42 -12.540 -0.555 0.226 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.727 -3.719 0.671 1.00 0.43 C ATOM 1065 CG LEU B 42 -12.843 -3.504 -0.842 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.472 -3.334 -1.468 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.586 -4.661 -1.493 1.00 0.48 C ATOM 0 H LEU B 42 -12.795 -3.521 3.176 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.064 -2.421 1.130 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.138 -4.619 0.849 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.723 -3.906 1.072 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.412 -2.590 -1.012 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.579 -3.183 -2.542 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -10.976 -2.469 -1.027 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -10.875 -4.227 -1.285 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -13.658 -4.489 -2.567 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.046 -5.590 -1.309 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.588 -4.734 -1.070 1.00 0.48 H new ATOM 1079 N MET B 43 -13.849 -0.958 1.998 1.00 0.39 N ATOM 1080 CA MET B 43 -14.714 0.188 1.735 1.00 0.40 C ATOM 1081 C MET B 43 -13.947 1.468 2.005 1.00 0.36 C ATOM 1082 O MET B 43 -14.059 2.453 1.272 1.00 0.36 O ATOM 1083 CB MET B 43 -15.975 0.151 2.604 1.00 0.47 C ATOM 1084 CG MET B 43 -16.867 -1.066 2.394 1.00 0.63 C ATOM 1085 SD MET B 43 -17.380 -1.300 0.678 1.00 0.85 S ATOM 1086 CE MET B 43 -16.195 -2.525 0.122 1.00 0.54 C ATOM 0 H MET B 43 -14.070 -1.473 2.850 1.00 0.39 H new ATOM 0 HA MET B 43 -15.024 0.149 0.691 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.677 0.188 3.652 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.560 1.050 2.407 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.337 -1.957 2.731 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.754 -0.968 3.019 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.572 -3.014 -0.777 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.246 -2.038 -0.101 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.046 -3.269 0.905 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.137 1.421 3.048 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.306 2.553 3.417 1.00 0.35 C ATOM 1098 C GLN B 44 -11.224 2.749 2.362 1.00 0.30 C ATOM 1099 O GLN B 44 -10.826 3.874 2.060 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.673 2.331 4.787 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.680 2.147 5.910 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.017 1.836 7.236 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.893 2.264 7.498 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.697 1.075 8.073 1.00 0.75 N ATOM 0 H GLN B 44 -13.037 0.608 3.656 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.927 3.447 3.471 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.031 1.452 4.741 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -11.033 3.181 5.022 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.278 3.053 6.010 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.365 1.340 5.651 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -13.626 0.740 7.818 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -12.293 0.821 8.975 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.773 1.635 1.789 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.802 1.660 0.704 1.00 0.25 C ATOM 1115 C LEU B 45 -10.379 2.332 -0.531 1.00 0.23 C ATOM 1116 O LEU B 45 -9.659 2.985 -1.290 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.362 0.241 0.342 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.215 -0.330 1.170 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.921 -1.762 0.753 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.976 0.531 1.005 1.00 0.31 C ATOM 0 H LEU B 45 -11.069 0.698 2.063 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.940 2.231 1.050 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.222 -0.422 0.441 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.069 0.228 -0.708 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.507 -0.330 2.220 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.100 -2.155 1.353 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.809 -2.375 0.907 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.643 -1.784 -0.301 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.162 0.116 1.600 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.684 0.551 -0.045 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.190 1.545 1.342 1.00 0.31 H new ATOM 1132 N MET B 46 -11.685 2.182 -0.723 1.00 0.26 N ATOM 1133 CA MET B 46 -12.341 2.722 -1.902 1.00 0.27 C ATOM 1134 C MET B 46 -12.263 4.233 -1.908 1.00 0.26 C ATOM 1135 O MET B 46 -12.199 4.848 -2.974 1.00 0.40 O ATOM 1136 CB MET B 46 -13.808 2.305 -1.978 1.00 0.33 C ATOM 1137 CG MET B 46 -14.031 0.808 -2.060 1.00 0.38 C ATOM 1138 SD MET B 46 -15.747 0.396 -2.427 1.00 0.49 S ATOM 1139 CE MET B 46 -16.611 1.449 -1.263 1.00 0.49 C ATOM 0 H MET B 46 -12.306 1.692 -0.079 1.00 0.26 H new ATOM 0 HA MET B 46 -11.818 2.317 -2.768 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.328 2.690 -1.101 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.262 2.776 -2.850 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.385 0.388 -2.831 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.742 0.347 -1.116 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.589 1.021 -1.042 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.032 1.526 -0.343 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.738 2.442 -1.695 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.246 4.841 -0.725 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.197 6.288 -0.631 1.00 0.30 C ATOM 1151 C ASN B 47 -10.767 6.776 -0.793 1.00 0.26 C ATOM 1152 O ASN B 47 -10.538 7.858 -1.319 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.772 6.762 0.710 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.642 8.264 0.911 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.488 9.038 0.463 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -11.599 8.686 1.608 1.00 1.43 N ATOM 0 H ASN B 47 -12.265 4.355 0.172 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.805 6.707 -1.433 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.824 6.482 0.768 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.260 6.246 1.522 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -11.476 9.682 1.790 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -10.918 8.015 1.964 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.804 5.950 -0.391 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.395 6.330 -0.472 1.00 0.25 C ATOM 1165 C ASP B 48 -7.959 6.341 -1.934 1.00 0.25 C ATOM 1166 O ASP B 48 -7.414 7.324 -2.433 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.500 5.351 0.309 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.653 5.413 1.822 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -7.672 4.344 2.467 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.730 6.524 2.378 1.00 0.74 O ATOM 0 H ASP B 48 -9.971 5.019 -0.008 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.287 7.321 -0.031 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.720 4.336 -0.023 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.459 5.551 0.055 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.242 5.232 -2.614 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.910 5.054 -4.027 1.00 0.27 C ATOM 1177 C LYS B 49 -8.549 6.148 -4.879 1.00 0.33 C ATOM 1178 O LYS B 49 -7.941 6.645 -5.829 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.400 3.679 -4.497 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.553 3.042 -5.594 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.630 3.811 -6.901 1.00 0.92 C ATOM 1182 CE LYS B 49 -6.751 3.182 -7.972 1.00 1.45 C ATOM 1183 NZ LYS B 49 -7.271 1.861 -8.416 1.00 2.10 N ATOM 0 H LYS B 49 -8.711 4.427 -2.199 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.828 5.119 -4.141 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.427 3.006 -3.640 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.424 3.777 -4.858 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.515 2.991 -5.265 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.886 2.017 -5.758 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -8.663 3.839 -7.247 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -7.321 4.843 -6.736 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -6.687 3.853 -8.829 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -5.739 3.062 -7.586 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -6.643 1.468 -9.146 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -7.308 1.212 -7.604 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -8.227 1.978 -8.809 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.752 6.553 -4.504 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.514 7.499 -5.303 1.00 0.37 C ATOM 1199 C LYS B 50 -10.086 8.918 -4.962 1.00 0.39 C ATOM 1200 O LYS B 50 -10.053 9.799 -5.821 1.00 0.44 O ATOM 1201 CB LYS B 50 -12.012 7.332 -5.051 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.884 8.110 -6.026 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.350 8.076 -5.628 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.596 8.859 -4.348 1.00 2.35 C ATOM 1205 NZ LYS B 50 -16.033 8.888 -3.984 1.00 3.05 N ATOM 0 H LYS B 50 -10.221 6.242 -3.653 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.318 7.305 -6.357 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.267 6.274 -5.113 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.239 7.655 -4.035 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.544 9.145 -6.071 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.770 7.693 -7.027 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.957 8.491 -6.433 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.667 7.042 -5.491 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -14.024 8.413 -3.534 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.232 9.879 -4.471 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -16.158 9.431 -3.106 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -16.576 9.337 -4.749 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -16.375 7.916 -3.841 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.771 9.135 -3.692 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.252 10.411 -3.234 1.00 0.44 C ATOM 1221 C LEU B 51 -7.938 10.727 -3.931 1.00 0.43 C ATOM 1222 O LEU B 51 -7.722 11.844 -4.394 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.037 10.367 -1.720 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.594 11.672 -1.071 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.675 12.728 -1.212 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -8.255 11.443 0.393 1.00 1.22 C ATOM 0 H LEU B 51 -9.868 8.435 -2.957 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.974 11.192 -3.475 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.967 10.048 -1.250 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.291 9.603 -1.501 1.00 0.48 H new ATOM 0 HG LEU B 51 -7.699 12.029 -1.581 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.342 13.654 -0.743 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.873 12.907 -2.269 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -10.587 12.382 -0.726 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.940 12.384 0.845 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -9.134 11.066 0.915 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.447 10.715 0.470 1.00 1.22 H new ATOM 1238 N MET B 52 -7.077 9.722 -4.037 1.00 0.39 N ATOM 1239 CA MET B 52 -5.751 9.903 -4.602 1.00 0.37 C ATOM 1240 C MET B 52 -5.819 10.235 -6.091 1.00 0.41 C ATOM 1241 O MET B 52 -4.990 10.987 -6.605 1.00 0.47 O ATOM 1242 CB MET B 52 -4.906 8.651 -4.368 1.00 0.33 C ATOM 1243 CG MET B 52 -4.602 8.396 -2.908 1.00 1.29 C ATOM 1244 SD MET B 52 -3.330 7.152 -2.642 1.00 1.25 S ATOM 1245 CE MET B 52 -4.164 5.646 -3.111 1.00 0.32 C ATOM 0 H MET B 52 -7.278 8.768 -3.736 1.00 0.39 H new ATOM 0 HA MET B 52 -5.281 10.748 -4.098 1.00 0.37 H new ATOM 0 HB2 MET B 52 -5.428 7.787 -4.779 1.00 0.33 H new ATOM 0 HB3 MET B 52 -3.968 8.747 -4.915 1.00 0.33 H new ATOM 0 HG2 MET B 52 -4.287 9.330 -2.443 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.516 8.082 -2.405 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.439 4.835 -3.180 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.915 5.398 -2.362 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.648 5.784 -4.078 1.00 0.32 H new ATOM 1255 N SER B 53 -6.820 9.698 -6.779 1.00 0.41 N ATOM 1256 CA SER B 53 -6.985 9.955 -8.201 1.00 0.47 C ATOM 1257 C SER B 53 -7.629 11.322 -8.447 1.00 0.51 C ATOM 1258 O SER B 53 -7.669 11.805 -9.578 1.00 0.62 O ATOM 1259 CB SER B 53 -7.814 8.843 -8.842 1.00 0.52 C ATOM 1260 OG SER B 53 -8.991 8.581 -8.095 1.00 1.15 O ATOM 0 H SER B 53 -7.527 9.084 -6.375 1.00 0.41 H new ATOM 0 HA SER B 53 -5.998 9.968 -8.663 1.00 0.47 H new ATOM 0 HB2 SER B 53 -8.082 9.127 -9.860 1.00 0.52 H new ATOM 0 HB3 SER B 53 -7.216 7.935 -8.912 1.00 0.52 H new ATOM 0 HG SER B 53 -9.136 9.303 -7.448 1.00 1.15 H new ATOM 1266 N SER B 54 -8.121 11.947 -7.385 1.00 0.49 N ATOM 1267 CA SER B 54 -8.712 13.272 -7.490 1.00 0.54 C ATOM 1268 C SER B 54 -7.717 14.325 -7.007 1.00 0.53 C ATOM 1269 O SER B 54 -7.974 15.528 -7.074 1.00 0.53 O ATOM 1270 CB SER B 54 -10.006 13.339 -6.672 1.00 0.60 C ATOM 1271 OG SER B 54 -10.722 14.538 -6.927 1.00 1.30 O ATOM 0 H SER B 54 -8.122 11.557 -6.443 1.00 0.49 H new ATOM 0 HA SER B 54 -8.953 13.473 -8.534 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.634 12.481 -6.912 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.770 13.274 -5.610 1.00 0.60 H new ATOM 0 HG SER B 54 -10.092 15.283 -7.014 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.580 13.853 -6.523 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.524 14.733 -6.049 1.00 0.57 C ATOM 1279 C LEU B 55 -4.401 14.821 -7.080 1.00 0.65 C ATOM 1280 O LEU B 55 -3.671 13.855 -7.297 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.982 14.242 -4.703 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.973 14.319 -3.536 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -5.386 13.670 -2.293 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -6.356 15.763 -3.250 1.00 0.65 C ATOM 0 H LEU B 55 -6.364 12.859 -6.448 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.941 15.730 -5.908 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.657 13.208 -4.815 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -4.099 14.828 -4.449 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.874 13.774 -3.818 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -6.104 13.734 -1.475 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -5.164 12.623 -2.499 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -4.468 14.187 -2.012 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -7.060 15.795 -2.418 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.463 16.332 -2.991 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.820 16.198 -4.135 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.259 15.984 -7.735 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.246 16.187 -8.774 1.00 0.95 C ATOM 1298 C PRO B 56 -1.859 16.398 -8.183 1.00 0.88 C ATOM 1299 O PRO B 56 -0.847 16.206 -8.852 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.729 17.446 -9.488 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.473 18.211 -8.448 1.00 1.26 C ATOM 1302 CD PRO B 56 -5.073 17.194 -7.512 1.00 0.98 C ATOM 0 HA PRO B 56 -3.145 15.324 -9.432 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.892 18.024 -9.881 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -4.371 17.200 -10.333 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.805 18.885 -7.911 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.250 18.826 -8.901 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -5.021 17.525 -6.475 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -6.125 17.015 -7.737 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.831 16.784 -6.916 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.581 16.964 -6.194 1.00 0.62 C ATOM 1312 C ASN B 57 -0.055 15.614 -5.729 1.00 0.57 C ATOM 1313 O ASN B 57 1.158 15.395 -5.648 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.768 17.920 -5.004 1.00 0.68 C ATOM 1315 CG ASN B 57 -2.024 17.643 -4.185 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -2.502 16.514 -4.103 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -2.574 18.685 -3.580 1.00 1.73 N ATOM 0 H ASN B 57 -2.666 16.980 -6.364 1.00 0.63 H new ATOM 0 HA ASN B 57 0.151 17.413 -6.866 1.00 0.62 H new ATOM 0 HB2 ASN B 57 0.103 17.849 -4.352 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.806 18.944 -5.375 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -3.421 18.564 -3.025 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.151 19.609 -3.669 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.988 14.709 -5.450 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.664 13.350 -5.051 1.00 0.70 C ATOM 1326 C PHE B 58 0.304 12.708 -6.030 1.00 0.90 C ATOM 1327 O PHE B 58 1.269 12.088 -5.623 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.931 12.502 -4.958 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.654 11.042 -4.757 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.210 10.578 -3.535 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.840 10.137 -5.788 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.959 9.239 -3.341 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.586 8.794 -5.601 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.144 8.344 -4.371 1.00 0.69 C ATOM 0 H PHE B 58 -1.989 14.900 -5.495 1.00 0.62 H new ATOM 0 HA PHE B 58 -0.190 13.398 -4.071 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.543 12.866 -4.133 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.515 12.632 -5.869 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -1.058 11.273 -2.723 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.188 10.486 -6.749 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.616 8.889 -2.378 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.732 8.097 -6.413 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.944 7.294 -4.218 1.00 0.69 H new ATOM 1344 N SER B 59 0.028 12.857 -7.316 1.00 0.91 N ATOM 1345 CA SER B 59 0.865 12.285 -8.365 1.00 1.02 C ATOM 1346 C SER B 59 2.363 12.572 -8.175 1.00 1.10 C ATOM 1347 O SER B 59 3.204 11.806 -8.654 1.00 1.84 O ATOM 1348 CB SER B 59 0.398 12.810 -9.719 1.00 1.21 C ATOM 1349 OG SER B 59 -0.989 12.573 -9.898 1.00 1.84 O ATOM 0 H SER B 59 -0.779 13.375 -7.664 1.00 0.91 H new ATOM 0 HA SER B 59 0.754 11.202 -8.312 1.00 1.02 H new ATOM 0 HB2 SER B 59 0.601 13.878 -9.790 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.961 12.325 -10.516 1.00 1.21 H new ATOM 0 HG SER B 59 -1.270 12.918 -10.771 1.00 1.84 H new ATOM 1355 N GLY B 60 2.712 13.664 -7.494 1.00 0.91 N ATOM 1356 CA GLY B 60 4.108 13.985 -7.287 1.00 0.88 C ATOM 1357 C GLY B 60 4.717 13.278 -6.090 1.00 0.67 C ATOM 1358 O GLY B 60 5.922 13.020 -6.073 1.00 0.74 O ATOM 0 H GLY B 60 2.053 14.326 -7.085 1.00 0.91 H new ATOM 0 HA2 GLY B 60 4.671 13.719 -8.182 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.210 15.062 -7.154 1.00 0.88 H new ATOM 1362 N ILE B 61 3.900 12.952 -5.095 1.00 0.51 N ATOM 1363 CA ILE B 61 4.406 12.272 -3.903 1.00 0.54 C ATOM 1364 C ILE B 61 3.812 10.873 -3.788 1.00 0.73 C ATOM 1365 O ILE B 61 2.869 10.534 -4.488 1.00 1.81 O ATOM 1366 CB ILE B 61 4.135 13.055 -2.588 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.628 13.178 -2.277 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.789 14.430 -2.652 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.986 14.449 -2.780 1.00 0.79 C ATOM 0 H ILE B 61 2.898 13.143 -5.086 1.00 0.51 H new ATOM 0 HA ILE B 61 5.487 12.212 -4.030 1.00 0.54 H new ATOM 0 HB ILE B 61 4.579 12.486 -1.771 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.109 12.326 -2.715 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.487 13.117 -1.198 1.00 0.64 H new ATOM 0 HG21 ILE B 61 4.593 14.970 -1.726 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.865 14.315 -2.784 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.378 14.990 -3.492 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.928 14.451 -2.518 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.475 15.309 -2.323 1.00 0.79 H new ATOM 0 HD13 ILE B 61 2.091 14.506 -3.863 1.00 0.79 H new ATOM 1381 N PHE B 62 4.396 10.051 -2.931 1.00 0.58 N ATOM 1382 CA PHE B 62 3.865 8.718 -2.641 1.00 0.50 C ATOM 1383 C PHE B 62 3.870 7.863 -3.907 1.00 0.51 C ATOM 1384 O PHE B 62 2.823 7.477 -4.431 1.00 0.76 O ATOM 1385 CB PHE B 62 2.448 8.806 -2.054 1.00 0.50 C ATOM 1386 CG PHE B 62 2.303 9.813 -0.941 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.391 10.191 -0.170 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.077 10.390 -0.672 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.254 11.117 0.838 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.938 11.314 0.340 1.00 0.68 C ATOM 1391 CZ PHE B 62 2.025 11.676 1.093 1.00 0.59 C ATOM 0 H PHE B 62 5.246 10.282 -2.417 1.00 0.58 H new ATOM 0 HA PHE B 62 4.507 8.247 -1.897 1.00 0.50 H new ATOM 0 HB2 PHE B 62 1.751 9.060 -2.852 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.160 7.824 -1.680 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.359 9.753 -0.363 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.216 10.113 -1.263 1.00 0.64 H new ATOM 0 HE1 PHE B 62 4.112 11.404 1.428 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.028 11.754 0.540 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.915 12.400 1.886 1.00 0.59 H new ATOM 1401 N THR B 63 5.071 7.566 -4.373 1.00 0.35 N ATOM 1402 CA THR B 63 5.280 6.879 -5.636 1.00 0.38 C ATOM 1403 C THR B 63 4.707 5.468 -5.613 1.00 0.30 C ATOM 1404 O THR B 63 4.000 5.060 -6.536 1.00 0.38 O ATOM 1405 CB THR B 63 6.788 6.813 -5.958 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.326 8.144 -6.006 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.048 6.095 -7.277 1.00 0.66 C ATOM 0 H THR B 63 5.935 7.797 -3.882 1.00 0.35 H new ATOM 0 HA THR B 63 4.758 7.446 -6.407 1.00 0.38 H new ATOM 0 HB THR B 63 7.281 6.244 -5.170 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.284 8.103 -6.209 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.120 6.068 -7.471 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.664 5.077 -7.219 1.00 0.66 H new ATOM 0 HG23 THR B 63 6.546 6.627 -8.086 1.00 0.66 H new ATOM 1415 N HIS B 64 4.986 4.732 -4.548 1.00 0.26 N ATOM 1416 CA HIS B 64 4.602 3.325 -4.502 1.00 0.25 C ATOM 1417 C HIS B 64 3.201 3.129 -3.961 1.00 0.25 C ATOM 1418 O HIS B 64 2.531 2.160 -4.308 1.00 0.54 O ATOM 1419 CB HIS B 64 5.591 2.514 -3.674 1.00 0.34 C ATOM 1420 CG HIS B 64 6.834 2.181 -4.422 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.358 0.910 -4.493 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.642 2.963 -5.166 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.435 0.929 -5.253 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.629 2.161 -5.674 1.00 0.68 N ATOM 0 H HIS B 64 5.468 5.075 -3.717 1.00 0.26 H new ATOM 0 HA HIS B 64 4.617 2.967 -5.531 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.852 3.075 -2.776 1.00 0.34 H new ATOM 0 HB3 HIS B 64 5.112 1.592 -3.346 1.00 0.34 H new ATOM 0 HD2 HIS B 64 7.531 4.025 -5.331 1.00 0.71 H new ATOM 0 HE1 HIS B 64 9.054 0.077 -5.490 1.00 0.83 H new ATOM 0 HE2 HIS B 64 9.390 2.468 -6.280 1.00 0.68 H new ATOM 1433 N LEU B 65 2.748 4.060 -3.143 1.00 0.32 N ATOM 1434 CA LEU B 65 1.485 3.898 -2.445 1.00 0.22 C ATOM 1435 C LEU B 65 0.303 3.874 -3.406 1.00 0.21 C ATOM 1436 O LEU B 65 -0.627 3.087 -3.221 1.00 0.24 O ATOM 1437 CB LEU B 65 1.316 4.991 -1.406 1.00 0.29 C ATOM 1438 CG LEU B 65 2.173 4.811 -0.160 1.00 0.36 C ATOM 1439 CD1 LEU B 65 3.305 5.790 -0.149 1.00 0.84 C ATOM 1440 CD2 LEU B 65 1.328 4.939 1.075 1.00 0.99 C ATOM 0 H LEU B 65 3.234 4.935 -2.945 1.00 0.32 H new ATOM 0 HA LEU B 65 1.506 2.932 -1.940 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.558 5.951 -1.863 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.268 5.034 -1.109 1.00 0.29 H new ATOM 0 HG LEU B 65 2.604 3.810 -0.173 1.00 0.36 H new ATOM 0 HD11 LEU B 65 3.904 5.643 0.750 1.00 0.84 H new ATOM 0 HD12 LEU B 65 3.928 5.635 -1.030 1.00 0.84 H new ATOM 0 HD13 LEU B 65 2.908 6.805 -0.159 1.00 0.84 H new ATOM 0 HD21 LEU B 65 1.953 4.808 1.959 1.00 0.99 H new ATOM 0 HD22 LEU B 65 0.867 5.926 1.100 1.00 0.99 H new ATOM 0 HD23 LEU B 65 0.550 4.175 1.064 1.00 0.99 H new ATOM 1452 N GLU B 66 0.350 4.724 -4.426 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.695 4.771 -5.446 1.00 0.40 C ATOM 1454 C GLU B 66 -1.002 3.374 -5.986 1.00 0.38 C ATOM 1455 O GLU B 66 -2.132 2.889 -5.882 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.255 5.679 -6.595 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.255 5.750 -7.735 1.00 0.88 C ATOM 1458 CD GLU B 66 -0.711 6.484 -8.939 1.00 1.12 C ATOM 1459 OE1 GLU B 66 0.156 5.918 -9.636 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.151 7.622 -9.204 1.00 1.75 O ATOM 0 H GLU B 66 1.105 5.394 -4.570 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.600 5.168 -4.987 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.087 6.684 -6.208 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.699 5.323 -6.983 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.539 4.739 -8.028 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.161 6.248 -7.389 1.00 0.88 H new ATOM 1467 N ARG B 67 0.010 2.737 -6.558 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.157 1.414 -7.141 1.00 0.44 C ATOM 1469 C ARG B 67 -0.413 0.354 -6.072 1.00 0.39 C ATOM 1470 O ARG B 67 -1.083 -0.639 -6.339 1.00 0.40 O ATOM 1471 CB ARG B 67 1.066 1.024 -7.959 1.00 0.54 C ATOM 1472 CG ARG B 67 0.855 -0.246 -8.761 1.00 0.74 C ATOM 1473 CD ARG B 67 2.175 -0.865 -9.169 1.00 0.86 C ATOM 1474 NE ARG B 67 2.899 -1.362 -8.005 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.176 -1.118 -7.753 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.906 -0.396 -8.593 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.724 -1.601 -6.651 1.00 2.07 N ATOM 0 H ARG B 67 0.955 3.115 -6.631 1.00 0.42 H new ATOM 0 HA ARG B 67 -1.028 1.462 -7.795 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.319 1.839 -8.637 1.00 0.54 H new ATOM 0 HB3 ARG B 67 1.917 0.890 -7.291 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.283 -0.961 -8.170 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.265 -0.023 -9.650 1.00 0.74 H new ATOM 0 HD2 ARG B 67 1.997 -1.682 -9.868 1.00 0.86 H new ATOM 0 HD3 ARG B 67 2.782 -0.125 -9.691 1.00 0.86 H new ATOM 0 HE ARG B 67 2.386 -1.938 -7.338 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.485 -0.022 -9.443 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.889 -0.215 -8.388 1.00 1.71 H new ATOM 0 HH21 ARG B 67 4.164 -2.156 -6.004 1.00 2.07 H new ATOM 0 HH22 ARG B 67 5.707 -1.419 -6.448 1.00 2.07 H new ATOM 1491 N LEU B 68 0.119 0.561 -4.870 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.085 -0.385 -3.774 1.00 0.34 C ATOM 1493 C LEU B 68 -1.570 -0.628 -3.532 1.00 0.31 C ATOM 1494 O LEU B 68 -2.009 -1.766 -3.483 1.00 0.41 O ATOM 1495 CB LEU B 68 0.587 0.110 -2.493 1.00 0.33 C ATOM 1496 CG LEU B 68 2.086 -0.176 -2.393 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.655 0.429 -1.123 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.353 -1.675 -2.434 1.00 0.62 C ATOM 0 H LEU B 68 0.692 1.370 -4.630 1.00 0.36 H new ATOM 0 HA LEU B 68 0.375 -1.330 -4.062 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.432 1.186 -2.413 1.00 0.33 H new ATOM 0 HB3 LEU B 68 0.088 -0.348 -1.639 1.00 0.33 H new ATOM 0 HG LEU B 68 2.580 0.282 -3.249 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.723 0.217 -1.066 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.499 1.508 -1.132 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.153 -0.003 -0.257 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.425 -1.856 -2.362 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.846 -2.158 -1.598 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.978 -2.086 -3.372 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.320 0.448 -3.329 1.00 0.27 N ATOM 1511 CA LEU B 69 -3.791 0.355 -3.286 1.00 0.24 C ATOM 1512 C LEU B 69 -4.323 -0.514 -4.427 1.00 0.25 C ATOM 1513 O LEU B 69 -5.161 -1.414 -4.234 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.462 1.730 -3.389 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.660 2.483 -2.075 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.027 3.105 -2.017 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.457 1.583 -0.888 1.00 0.30 C ATOM 0 H LEU B 69 -1.949 1.388 -3.192 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.034 -0.093 -2.322 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -3.865 2.354 -4.055 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.436 1.601 -3.861 1.00 0.25 H new ATOM 0 HG LEU B 69 -3.909 3.272 -2.038 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.145 3.636 -1.072 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.143 3.805 -2.844 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.785 2.325 -2.092 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.606 2.152 0.030 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.174 0.763 -0.927 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.444 1.181 -0.905 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.775 -0.297 -5.606 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.304 -0.930 -6.795 1.00 0.35 C ATOM 1531 C ASP B 70 -4.040 -2.429 -6.713 1.00 0.38 C ATOM 1532 O ASP B 70 -4.782 -3.235 -7.278 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.682 -0.316 -8.052 1.00 0.43 C ATOM 1534 CG ASP B 70 -4.502 -0.576 -9.298 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -4.159 -1.493 -10.069 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -5.502 0.143 -9.516 1.00 1.56 O ATOM 0 H ASP B 70 -2.970 0.308 -5.765 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.380 -0.765 -6.857 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.575 0.759 -7.911 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.680 -0.721 -8.191 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.994 -2.793 -5.964 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.692 -4.183 -5.666 1.00 0.50 C ATOM 1543 C GLU B 71 -3.561 -4.698 -4.518 1.00 0.46 C ATOM 1544 O GLU B 71 -4.333 -5.623 -4.706 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.221 -4.330 -5.271 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.240 -3.834 -6.319 1.00 0.94 C ATOM 1547 CD GLU B 71 1.191 -3.858 -5.820 1.00 1.47 C ATOM 1548 OE1 GLU B 71 1.958 -2.934 -6.158 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.551 -4.801 -5.084 1.00 2.18 O ATOM 0 H GLU B 71 -2.339 -2.129 -5.552 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.899 -4.767 -6.563 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.050 -3.785 -4.343 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.015 -5.381 -5.066 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.322 -4.453 -7.213 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.505 -2.817 -6.610 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.466 -4.054 -3.348 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.110 -4.553 -2.125 1.00 0.45 C ATOM 1558 C GLU B 72 -5.624 -4.515 -2.263 1.00 0.42 C ATOM 1559 O GLU B 72 -6.315 -5.439 -1.858 1.00 0.47 O ATOM 1560 CB GLU B 72 -3.685 -3.735 -0.898 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.385 -4.163 0.393 1.00 0.57 C ATOM 1562 CD GLU B 72 -3.881 -5.486 0.947 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.163 -6.543 0.342 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -3.217 -5.481 2.007 1.00 1.33 O ATOM 0 H GLU B 72 -2.948 -3.184 -3.222 1.00 0.43 H new ATOM 0 HA GLU B 72 -3.788 -5.585 -1.983 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -2.607 -3.827 -0.765 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -3.894 -2.681 -1.083 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.247 -3.387 1.146 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.456 -4.241 0.207 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.123 -3.457 -2.881 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.549 -3.341 -3.135 1.00 0.35 C ATOM 1573 C ILE B 73 -7.965 -4.491 -4.021 1.00 0.40 C ATOM 1574 O ILE B 73 -9.010 -5.105 -3.821 1.00 0.45 O ATOM 1575 CB ILE B 73 -7.924 -1.998 -3.800 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -7.925 -0.888 -2.754 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.276 -2.080 -4.499 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.327 0.455 -3.305 1.00 0.27 C ATOM 0 H ILE B 73 -5.565 -2.671 -3.214 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.074 -3.373 -2.180 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.177 -1.772 -4.561 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.606 -1.160 -1.948 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -6.929 -0.810 -2.318 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.508 -1.118 -4.956 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.241 -2.849 -5.271 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.047 -2.332 -3.771 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.306 1.197 -2.507 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.632 0.748 -4.092 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.335 0.393 -3.716 1.00 0.27 H new ATOM 1590 N SER B 74 -7.102 -4.813 -4.968 1.00 0.41 N ATOM 1591 CA SER B 74 -7.357 -5.947 -5.855 1.00 0.49 C ATOM 1592 C SER B 74 -7.298 -7.280 -5.080 1.00 0.54 C ATOM 1593 O SER B 74 -8.116 -8.177 -5.304 1.00 0.60 O ATOM 1594 CB SER B 74 -6.351 -5.958 -7.012 1.00 0.52 C ATOM 1595 OG SER B 74 -6.678 -6.943 -7.979 1.00 1.34 O ATOM 0 H SER B 74 -6.229 -4.317 -5.146 1.00 0.41 H new ATOM 0 HA SER B 74 -8.361 -5.837 -6.264 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.329 -4.976 -7.485 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.350 -6.147 -6.623 1.00 0.52 H new ATOM 0 HG SER B 74 -6.053 -7.694 -7.905 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.345 -7.388 -4.155 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.148 -8.607 -3.362 1.00 0.63 C ATOM 1603 C ARG B 75 -7.358 -8.845 -2.479 1.00 0.65 C ATOM 1604 O ARG B 75 -7.905 -9.946 -2.421 1.00 0.72 O ATOM 1605 CB ARG B 75 -4.917 -8.481 -2.456 1.00 0.74 C ATOM 1606 CG ARG B 75 -3.684 -7.937 -3.147 1.00 0.76 C ATOM 1607 CD ARG B 75 -2.817 -9.024 -3.758 1.00 1.26 C ATOM 1608 NE ARG B 75 -1.860 -9.557 -2.789 1.00 1.84 N ATOM 1609 CZ ARG B 75 -0.733 -8.929 -2.437 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -0.416 -7.756 -2.980 1.00 3.06 N ATOM 1611 NH2 ARG B 75 0.079 -9.476 -1.545 1.00 3.67 N ATOM 0 H ARG B 75 -5.689 -6.639 -3.933 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.006 -9.436 -4.056 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.164 -7.832 -1.616 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.684 -9.462 -2.042 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -3.990 -7.242 -3.929 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -3.093 -7.369 -2.429 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.450 -9.831 -4.127 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -2.280 -8.622 -4.617 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.064 -10.458 -2.357 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -1.034 -7.330 -3.670 1.00 3.06 H new ATOM 0 HH12 ARG B 75 0.445 -7.283 -2.706 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -0.155 -10.376 -1.127 1.00 3.67 H new ATOM 0 HH22 ARG B 75 0.939 -8.997 -1.277 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.760 -7.785 -1.801 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.871 -7.813 -0.864 1.00 0.67 C ATOM 1627 C VAL B 76 -10.179 -8.187 -1.563 1.00 0.71 C ATOM 1628 O VAL B 76 -11.057 -8.808 -0.966 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.011 -6.440 -0.164 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.236 -6.392 0.728 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -7.759 -6.127 0.644 1.00 0.59 C ATOM 0 H VAL B 76 -7.319 -6.869 -1.886 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.662 -8.577 -0.115 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.133 -5.684 -0.940 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.302 -5.413 1.203 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.130 -6.565 0.128 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.158 -7.163 1.495 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -7.873 -5.158 1.130 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.612 -6.898 1.401 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -6.895 -6.101 -0.020 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.281 -7.848 -2.842 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.479 -8.151 -3.616 1.00 0.73 C ATOM 1643 C ARG B 77 -11.508 -9.629 -3.992 1.00 0.87 C ATOM 1644 O ARG B 77 -12.574 -10.231 -4.114 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.546 -7.289 -4.878 1.00 0.75 C ATOM 1646 CG ARG B 77 -11.772 -5.812 -4.598 1.00 0.80 C ATOM 1647 CD ARG B 77 -11.796 -4.997 -5.882 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.958 -5.317 -6.710 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.007 -5.152 -8.032 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.953 -4.683 -8.694 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -14.120 -5.447 -8.692 1.00 2.73 N ATOM 0 H ARG B 77 -9.551 -7.364 -3.365 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.347 -7.925 -2.997 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.617 -7.406 -5.437 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.350 -7.656 -5.516 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -12.714 -5.682 -4.066 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -10.983 -5.440 -3.945 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.806 -3.935 -5.638 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -10.884 -5.185 -6.448 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.786 -5.691 -6.246 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.098 -4.446 -8.190 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -11.999 -4.560 -9.705 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -14.934 -5.799 -8.188 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.161 -5.322 -9.703 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.328 -10.209 -4.163 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.211 -11.619 -4.491 1.00 1.08 C ATOM 1667 C LYS B 78 -10.348 -12.463 -3.225 1.00 1.12 C ATOM 1668 O LYS B 78 -10.995 -13.511 -3.226 1.00 1.32 O ATOM 1669 CB LYS B 78 -8.878 -11.870 -5.228 1.00 1.13 C ATOM 1670 CG LYS B 78 -8.192 -13.193 -4.902 1.00 1.35 C ATOM 1671 CD LYS B 78 -7.226 -13.038 -3.736 1.00 2.01 C ATOM 1672 CE LYS B 78 -5.924 -12.365 -4.156 1.00 2.67 C ATOM 1673 NZ LYS B 78 -5.086 -13.245 -5.013 1.00 3.44 N ATOM 0 H LYS B 78 -9.436 -9.721 -4.079 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.017 -11.916 -5.162 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.062 -11.830 -6.302 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -8.192 -11.056 -4.992 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -8.943 -13.945 -4.659 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -7.653 -13.552 -5.779 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -7.700 -12.451 -2.949 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.007 -14.019 -3.314 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -6.150 -11.445 -4.695 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -5.360 -12.083 -3.267 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -4.130 -12.844 -5.092 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -5.030 -14.192 -4.588 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -5.512 -13.315 -5.959 1.00 3.44 H new ATOM 1687 N ASP B 79 -9.747 -11.987 -2.137 1.00 1.02 N ATOM 1688 CA ASP B 79 -9.806 -12.669 -0.843 1.00 1.20 C ATOM 1689 C ASP B 79 -11.220 -12.657 -0.248 1.00 1.42 C ATOM 1690 O ASP B 79 -11.450 -13.195 0.834 1.00 1.68 O ATOM 1691 CB ASP B 79 -8.813 -12.015 0.126 1.00 1.24 C ATOM 1692 CG ASP B 79 -8.604 -12.819 1.395 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -7.912 -13.860 1.341 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -9.110 -12.408 2.456 1.00 1.94 O ATOM 0 H ASP B 79 -9.207 -11.122 -2.125 1.00 1.02 H new ATOM 0 HA ASP B 79 -9.535 -13.713 -1.000 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -7.855 -11.886 -0.377 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -9.172 -11.020 0.388 1.00 1.24 H new ATOM 1699 N MET B 80 -12.173 -12.072 -0.967 1.00 1.50 N ATOM 1700 CA MET B 80 -13.560 -12.043 -0.509 1.00 1.83 C ATOM 1701 C MET B 80 -14.178 -13.424 -0.644 1.00 2.16 C ATOM 1702 O MET B 80 -15.078 -13.799 0.110 1.00 2.63 O ATOM 1703 CB MET B 80 -14.381 -11.029 -1.307 1.00 2.04 C ATOM 1704 CG MET B 80 -14.033 -9.587 -0.997 1.00 1.58 C ATOM 1705 SD MET B 80 -14.360 -9.151 0.720 1.00 1.43 S ATOM 1706 CE MET B 80 -13.728 -7.478 0.763 1.00 0.99 C ATOM 0 H MET B 80 -12.013 -11.614 -1.864 1.00 1.50 H new ATOM 0 HA MET B 80 -13.566 -11.742 0.538 1.00 1.83 H new ATOM 0 HB2 MET B 80 -14.230 -11.209 -2.371 1.00 2.04 H new ATOM 0 HB3 MET B 80 -15.440 -11.190 -1.103 1.00 2.04 H new ATOM 0 HG2 MET B 80 -12.979 -9.416 -1.217 1.00 1.58 H new ATOM 0 HG3 MET B 80 -14.606 -8.930 -1.651 1.00 1.58 H new ATOM 0 HE1 MET B 80 -13.217 -7.306 1.711 1.00 0.99 H new ATOM 0 HE2 MET B 80 -13.027 -7.333 -0.059 1.00 0.99 H new ATOM 0 HE3 MET B 80 -14.554 -6.774 0.663 1.00 0.99 H new ATOM 1716 N TYR B 81 -13.686 -14.179 -1.610 1.00 2.56 N ATOM 1717 CA TYR B 81 -14.142 -15.537 -1.822 1.00 3.13 C ATOM 1718 C TYR B 81 -12.963 -16.444 -2.142 1.00 3.70 C ATOM 1719 O TYR B 81 -12.579 -16.546 -3.320 1.00 4.25 O ATOM 1720 CB TYR B 81 -15.225 -15.597 -2.917 1.00 3.71 C ATOM 1721 CG TYR B 81 -14.946 -14.774 -4.162 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -15.142 -13.397 -4.169 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -14.512 -15.375 -5.337 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -14.914 -12.647 -5.305 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -14.276 -14.630 -6.476 1.00 5.51 C ATOM 1726 CZ TYR B 81 -14.480 -13.267 -6.456 1.00 5.53 C ATOM 1727 OH TYR B 81 -14.259 -12.523 -7.596 1.00 6.40 O ATOM 1728 OXT TYR B 81 -12.403 -17.037 -1.196 1.00 4.07 O ATOM 0 H TYR B 81 -12.966 -13.870 -2.263 1.00 2.56 H new ATOM 0 HA TYR B 81 -14.602 -15.897 -0.902 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -15.359 -16.637 -3.214 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -16.170 -15.264 -2.487 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -15.479 -12.905 -3.268 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -14.356 -16.443 -5.360 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -15.075 -11.579 -5.292 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -13.933 -15.114 -7.379 1.00 5.51 H new ATOM 0 HH TYR B 81 -13.955 -13.112 -8.317 1.00 6.40 H new TER 1738 TYR B 81