USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 943 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 112 SER OG : rot -150:sc= 1.21 USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 1.02 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -1.24 K(o=-1.3,f=-0.31) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0702 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -130:sc= -0.0785 USER MOD Single : A 13 MET CE :methyl -114:sc= -2.85 (180deg=-8.48!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.44! K(o=-3.4!,f=-0.36) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc=-0.00672 (180deg=-0.124) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 116:sc= 1.01 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.998 X(o=-1,f=-0.52) USER MOD Single : A 59 THR OG1 : rot 167:sc= 1.34 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -2:sc= 1.11 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= -2.87 (180deg=-2.92) USER MOD Single : A 75 THR OG1 : rot 92:sc= 1.63 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 95:sc= 0.00068 USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0097 X(o=-0.0097,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.63) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1.2) USER MOD Single : A 100 SER OG : rot 180:sc= -0.751 USER MOD Single : A 105 TYR OH : rot 30:sc= -0.603 USER MOD Single : A 106 THR OG1 : rot -132:sc= 1.27 USER MOD Single : A 110 MET CE :methyl -165:sc= -0.111 (180deg=-0.586) USER MOD Single : A 114 TYR OH : rot 30:sc=-0.000802 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 119 MET CE :methyl 174:sc= -4.5! (180deg=-4.84!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.63) USER MOD Single : A 126 LYS NZ :NH3+ 155:sc= -0.118 (180deg=-0.628) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.491 -9.595 3.348 1.00 74.13 N ATOM 2 CA GLY A 1 -3.506 -8.304 4.012 1.00 34.14 C ATOM 3 C GLY A 1 -2.216 -7.534 3.810 1.00 1.51 C ATOM 4 O GLY A 1 -1.202 -8.082 3.375 1.00 72.31 O ATOM 0 H1 GLY A 1 -4.196 -9.600 2.584 1.00 74.13 H new ATOM 0 H2 GLY A 1 -2.547 -9.769 2.949 1.00 74.13 H new ATOM 0 H3 GLY A 1 -3.720 -10.341 4.035 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -4.341 -7.714 3.634 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -3.676 -8.449 5.079 1.00 34.14 H new ATOM 8 N PRO A 2 -2.243 -6.231 4.128 1.00 21.03 N ATOM 9 CA PRO A 2 -1.076 -5.356 3.987 1.00 2.31 C ATOM 10 C PRO A 2 0.018 -5.681 4.998 1.00 61.30 C ATOM 11 O PRO A 2 1.190 -5.811 4.642 1.00 14.21 O ATOM 12 CB PRO A 2 -1.646 -3.960 4.245 1.00 23.42 C ATOM 13 CG PRO A 2 -2.848 -4.192 5.092 1.00 33.11 C ATOM 14 CD PRO A 2 -3.417 -5.512 4.652 1.00 34.03 C ATOM 0 HA PRO A 2 -0.601 -5.463 3.012 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -0.921 -3.324 4.753 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -1.909 -3.461 3.312 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -2.582 -4.215 6.149 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -3.576 -3.391 4.964 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -3.879 -6.047 5.482 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -4.184 -5.385 3.888 1.00 34.03 H new ATOM 22 N THR A 3 -0.371 -5.812 6.262 1.00 23.42 N ATOM 23 CA THR A 3 0.576 -6.121 7.326 1.00 41.32 C ATOM 24 C THR A 3 0.451 -7.574 7.769 1.00 20.13 C ATOM 25 O THR A 3 -0.404 -8.311 7.280 1.00 54.11 O ATOM 26 CB THR A 3 0.369 -5.204 8.546 1.00 33.42 C ATOM 27 OG1 THR A 3 -0.922 -5.436 9.120 1.00 11.12 O ATOM 28 CG2 THR A 3 0.498 -3.740 8.152 1.00 11.31 C ATOM 0 H THR A 3 -1.337 -5.709 6.574 1.00 23.42 H new ATOM 0 HA THR A 3 1.573 -5.953 6.920 1.00 41.32 H new ATOM 0 HB THR A 3 1.140 -5.435 9.281 1.00 33.42 H new ATOM 0 HG1 THR A 3 -1.045 -4.850 9.896 1.00 11.12 H new ATOM 0 HG21 THR A 3 0.348 -3.112 9.030 1.00 11.31 H new ATOM 0 HG22 THR A 3 1.492 -3.560 7.743 1.00 11.31 H new ATOM 0 HG23 THR A 3 -0.253 -3.498 7.400 1.00 11.31 H new ATOM 36 N GLY A 4 1.309 -7.980 8.701 1.00 1.33 N ATOM 37 CA GLY A 4 1.277 -9.344 9.194 1.00 1.34 C ATOM 38 C GLY A 4 2.466 -9.670 10.075 1.00 45.41 C ATOM 39 O GLY A 4 3.538 -10.020 9.581 1.00 60.11 O ATOM 0 H GLY A 4 2.025 -7.388 9.123 1.00 1.33 H new ATOM 0 HA2 GLY A 4 0.357 -9.502 9.757 1.00 1.34 H new ATOM 0 HA3 GLY A 4 1.255 -10.032 8.349 1.00 1.34 H new ATOM 43 N THR A 5 2.279 -9.553 11.387 1.00 12.54 N ATOM 44 CA THR A 5 3.346 -9.835 12.340 1.00 74.23 C ATOM 45 C THR A 5 3.868 -11.257 12.174 1.00 64.14 C ATOM 46 O THR A 5 3.403 -12.004 11.314 1.00 14.45 O ATOM 47 CB THR A 5 2.868 -9.641 13.791 1.00 71.41 C ATOM 48 OG1 THR A 5 1.835 -10.585 14.097 1.00 32.23 O ATOM 49 CG2 THR A 5 2.351 -8.227 14.006 1.00 53.45 C ATOM 0 H THR A 5 1.398 -9.265 11.813 1.00 12.54 H new ATOM 0 HA THR A 5 4.150 -9.129 12.133 1.00 74.23 H new ATOM 0 HB THR A 5 3.717 -9.805 14.455 1.00 71.41 H new ATOM 0 HG1 THR A 5 1.538 -10.456 15.022 1.00 32.23 H new ATOM 0 HG21 THR A 5 2.019 -8.114 15.038 1.00 53.45 H new ATOM 0 HG22 THR A 5 3.149 -7.513 13.801 1.00 53.45 H new ATOM 0 HG23 THR A 5 1.514 -8.039 13.333 1.00 53.45 H new ATOM 57 N GLY A 6 4.840 -11.625 13.003 1.00 24.13 N ATOM 58 CA GLY A 6 5.410 -12.959 12.933 1.00 71.40 C ATOM 59 C GLY A 6 6.673 -13.094 13.760 1.00 43.52 C ATOM 60 O GLY A 6 6.702 -12.703 14.927 1.00 52.21 O ATOM 0 H GLY A 6 5.243 -11.024 13.722 1.00 24.13 H new ATOM 0 HA2 GLY A 6 4.673 -13.684 13.279 1.00 71.40 H new ATOM 0 HA3 GLY A 6 5.632 -13.202 11.894 1.00 71.40 H new ATOM 64 N GLU A 7 7.718 -13.651 13.156 1.00 62.41 N ATOM 65 CA GLU A 7 8.989 -13.838 13.847 1.00 61.05 C ATOM 66 C GLU A 7 9.941 -12.682 13.558 1.00 62.33 C ATOM 67 O GLU A 7 9.558 -11.685 12.946 1.00 20.21 O ATOM 68 CB GLU A 7 9.632 -15.161 13.429 1.00 41.31 C ATOM 69 CG GLU A 7 9.993 -15.223 11.955 1.00 34.13 C ATOM 70 CD GLU A 7 8.867 -15.771 11.100 1.00 31.31 C ATOM 71 OE1 GLU A 7 8.664 -17.003 11.106 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 8.190 -14.968 10.425 1.00 50.32 O ATOM 0 H GLU A 7 7.710 -13.980 12.191 1.00 62.41 H new ATOM 0 HA GLU A 7 8.791 -13.862 14.919 1.00 61.05 H new ATOM 0 HB2 GLU A 7 10.532 -15.321 14.022 1.00 41.31 H new ATOM 0 HB3 GLU A 7 8.948 -15.977 13.662 1.00 41.31 H new ATOM 0 HG2 GLU A 7 10.255 -14.224 11.607 1.00 34.13 H new ATOM 0 HG3 GLU A 7 10.877 -15.847 11.828 1.00 34.13 H new ATOM 79 N SER A 8 11.186 -12.825 14.001 1.00 11.13 N ATOM 80 CA SER A 8 12.195 -11.792 13.795 1.00 73.41 C ATOM 81 C SER A 8 12.283 -11.407 12.321 1.00 2.22 C ATOM 82 O SER A 8 11.688 -12.056 11.460 1.00 44.50 O ATOM 83 CB SER A 8 13.559 -12.273 14.290 1.00 62.10 C ATOM 84 OG SER A 8 14.437 -11.183 14.510 1.00 14.33 O ATOM 0 H SER A 8 11.520 -13.646 14.505 1.00 11.13 H new ATOM 0 HA SER A 8 11.900 -10.912 14.367 1.00 73.41 H new ATOM 0 HB2 SER A 8 13.435 -12.836 15.215 1.00 62.10 H new ATOM 0 HB3 SER A 8 13.995 -12.953 13.558 1.00 62.10 H new ATOM 0 HG SER A 8 15.301 -11.518 14.828 1.00 14.33 H new ATOM 90 N LYS A 9 13.032 -10.346 12.036 1.00 44.32 N ATOM 91 CA LYS A 9 13.201 -9.874 10.667 1.00 23.33 C ATOM 92 C LYS A 9 14.623 -10.130 10.175 1.00 33.34 C ATOM 93 O LYS A 9 15.586 -9.599 10.730 1.00 14.24 O ATOM 94 CB LYS A 9 12.880 -8.381 10.578 1.00 44.14 C ATOM 95 CG LYS A 9 11.398 -8.070 10.692 1.00 44.04 C ATOM 96 CD LYS A 9 10.688 -8.240 9.359 1.00 2.52 C ATOM 97 CE LYS A 9 10.161 -9.656 9.185 1.00 53.35 C ATOM 98 NZ LYS A 9 8.936 -9.693 8.340 1.00 32.34 N1+ ATOM 0 H LYS A 9 13.532 -9.797 12.736 1.00 44.32 H new ATOM 0 HA LYS A 9 12.510 -10.426 10.030 1.00 23.33 H new ATOM 0 HB2 LYS A 9 13.415 -7.855 11.369 1.00 44.14 H new ATOM 0 HB3 LYS A 9 13.252 -7.994 9.629 1.00 44.14 H new ATOM 0 HG2 LYS A 9 10.944 -8.727 11.434 1.00 44.04 H new ATOM 0 HG3 LYS A 9 11.266 -7.048 11.048 1.00 44.04 H new ATOM 0 HD2 LYS A 9 9.862 -7.532 9.293 1.00 2.52 H new ATOM 0 HD3 LYS A 9 11.375 -8.004 8.547 1.00 2.52 H new ATOM 0 HE2 LYS A 9 10.933 -10.278 8.732 1.00 53.35 H new ATOM 0 HE3 LYS A 9 9.940 -10.084 10.163 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 8.609 -10.676 8.246 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 8.190 -9.121 8.785 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 9.152 -9.308 7.398 1.00 32.34 H new ATOM 112 N CYS A 10 14.746 -10.943 9.133 1.00 72.52 N ATOM 113 CA CYS A 10 16.050 -11.267 8.565 1.00 50.34 C ATOM 114 C CYS A 10 16.422 -10.285 7.461 1.00 44.02 C ATOM 115 O CYS A 10 15.572 -9.597 6.894 1.00 44.02 O ATOM 116 CB CYS A 10 16.050 -12.695 8.018 1.00 33.40 C ATOM 117 SG CYS A 10 16.518 -13.951 9.231 1.00 22.45 S ATOM 0 H CYS A 10 13.959 -11.390 8.664 1.00 72.52 H new ATOM 0 HA CYS A 10 16.794 -11.190 9.358 1.00 50.34 H new ATOM 0 HB2 CYS A 10 15.055 -12.926 7.637 1.00 33.40 H new ATOM 0 HB3 CYS A 10 16.736 -12.749 7.173 1.00 33.40 H new ATOM 0 HG CYS A 10 17.438 -14.720 8.727 1.00 22.45 H new ATOM 123 N PRO A 11 17.725 -10.214 7.144 1.00 41.21 N ATOM 124 CA PRO A 11 18.239 -9.318 6.104 1.00 32.44 C ATOM 125 C PRO A 11 17.822 -9.755 4.704 1.00 33.11 C ATOM 126 O PRO A 11 17.857 -8.964 3.760 1.00 40.40 O ATOM 127 CB PRO A 11 19.757 -9.422 6.267 1.00 52.53 C ATOM 128 CG PRO A 11 19.982 -10.757 6.890 1.00 50.33 C ATOM 129 CD PRO A 11 18.794 -11.005 7.777 1.00 12.12 C ATOM 0 HA PRO A 11 17.853 -8.304 6.211 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.264 -9.344 5.306 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.143 -8.621 6.897 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.070 -11.533 6.129 1.00 50.33 H new ATOM 0 HG3 PRO A 11 20.908 -10.768 7.465 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.539 -12.064 7.820 1.00 12.12 H new ATOM 0 HD3 PRO A 11 18.982 -10.680 8.800 1.00 12.12 H new ATOM 137 N LEU A 12 17.427 -11.016 4.577 1.00 24.44 N ATOM 138 CA LEU A 12 17.003 -11.558 3.290 1.00 13.33 C ATOM 139 C LEU A 12 15.748 -12.412 3.447 1.00 62.23 C ATOM 140 O LEU A 12 15.723 -13.357 4.234 1.00 61.54 O ATOM 141 CB LEU A 12 18.126 -12.392 2.670 1.00 1.41 C ATOM 142 CG LEU A 12 18.183 -12.409 1.142 1.00 23.13 C ATOM 143 CD1 LEU A 12 19.366 -13.234 0.661 1.00 43.24 C ATOM 144 CD2 LEU A 12 16.883 -12.951 0.565 1.00 3.34 C ATOM 0 H LEU A 12 17.391 -11.683 5.348 1.00 24.44 H new ATOM 0 HA LEU A 12 16.773 -10.722 2.629 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.079 -12.018 3.045 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.026 -13.419 3.022 1.00 1.41 H new ATOM 0 HG LEU A 12 18.314 -11.385 0.792 1.00 23.13 H new ATOM 0 HD11 LEU A 12 19.390 -13.235 -0.429 1.00 43.24 H new ATOM 0 HD12 LEU A 12 20.291 -12.802 1.044 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.267 -14.258 1.022 1.00 43.24 H new ATOM 0 HD21 LEU A 12 16.942 -12.956 -0.523 1.00 3.34 H new ATOM 0 HD22 LEU A 12 16.721 -13.967 0.924 1.00 3.34 H new ATOM 0 HD23 LEU A 12 16.053 -12.319 0.881 1.00 3.34 H new ATOM 156 N MET A 13 14.710 -12.072 2.689 1.00 42.14 N ATOM 157 CA MET A 13 13.453 -12.811 2.742 1.00 33.41 C ATOM 158 C MET A 13 12.955 -13.137 1.337 1.00 40.04 C ATOM 159 O MET A 13 12.659 -12.239 0.549 1.00 53.03 O ATOM 160 CB MET A 13 12.394 -12.004 3.496 1.00 72.22 C ATOM 161 CG MET A 13 11.308 -12.863 4.123 1.00 31.44 C ATOM 162 SD MET A 13 9.807 -11.931 4.483 1.00 1.33 S ATOM 163 CE MET A 13 8.592 -12.881 3.572 1.00 15.23 C ATOM 0 H MET A 13 14.714 -11.292 2.032 1.00 42.14 H new ATOM 0 HA MET A 13 13.632 -13.747 3.272 1.00 33.41 H new ATOM 0 HB2 MET A 13 12.881 -11.421 4.278 1.00 72.22 H new ATOM 0 HB3 MET A 13 11.933 -11.294 2.809 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.067 -13.686 3.450 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.687 -13.305 5.045 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.196 -12.277 2.756 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.061 -13.777 3.166 1.00 15.23 H new ATOM 0 HE3 MET A 13 7.779 -13.167 4.239 1.00 15.23 H new ATOM 173 N VAL A 14 12.865 -14.427 1.030 1.00 0.34 N ATOM 174 CA VAL A 14 12.403 -14.871 -0.279 1.00 54.11 C ATOM 175 C VAL A 14 10.943 -15.309 -0.226 1.00 75.31 C ATOM 176 O VAL A 14 10.605 -16.310 0.405 1.00 44.51 O ATOM 177 CB VAL A 14 13.257 -16.037 -0.811 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.879 -16.365 -2.247 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.738 -15.703 -0.703 1.00 54.20 C ATOM 0 H VAL A 14 13.106 -15.183 1.671 1.00 0.34 H new ATOM 0 HA VAL A 14 12.502 -14.021 -0.954 1.00 54.11 H new ATOM 0 HB VAL A 14 13.060 -16.918 -0.200 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.493 -17.191 -2.605 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.828 -16.649 -2.291 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.045 -15.490 -2.876 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.328 -16.537 -1.083 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.953 -14.810 -1.289 1.00 54.20 H new ATOM 0 HG23 VAL A 14 14.995 -15.523 0.341 1.00 54.20 H new ATOM 189 N LYS A 15 10.081 -14.552 -0.896 1.00 45.14 N ATOM 190 CA LYS A 15 8.656 -14.860 -0.929 1.00 34.42 C ATOM 191 C LYS A 15 8.275 -15.532 -2.245 1.00 3.44 C ATOM 192 O LYS A 15 8.280 -14.899 -3.301 1.00 33.44 O ATOM 193 CB LYS A 15 7.832 -13.585 -0.738 1.00 23.14 C ATOM 194 CG LYS A 15 6.350 -13.844 -0.530 1.00 20.51 C ATOM 195 CD LYS A 15 6.004 -13.958 0.945 1.00 21.44 C ATOM 196 CE LYS A 15 5.732 -12.594 1.561 1.00 61.00 C ATOM 197 NZ LYS A 15 4.316 -12.173 1.371 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.345 -13.720 -1.424 1.00 45.14 H new ATOM 0 HA LYS A 15 8.440 -15.550 -0.113 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.220 -13.037 0.120 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.961 -12.945 -1.611 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.772 -13.036 -0.978 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.065 -14.762 -1.043 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.127 -14.594 1.066 1.00 21.44 H new ATOM 0 HD3 LYS A 15 6.824 -14.441 1.476 1.00 21.44 H new ATOM 0 HE2 LYS A 15 5.962 -12.624 2.626 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.394 -11.854 1.112 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.170 -11.239 1.804 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.103 -12.120 0.354 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 3.684 -12.866 1.821 1.00 31.20 H new ATOM 211 N VAL A 16 7.943 -16.817 -2.173 1.00 43.13 N ATOM 212 CA VAL A 16 7.555 -17.574 -3.357 1.00 14.13 C ATOM 213 C VAL A 16 6.046 -17.771 -3.415 1.00 22.53 C ATOM 214 O VAL A 16 5.493 -18.622 -2.716 1.00 43.30 O ATOM 215 CB VAL A 16 8.245 -18.951 -3.394 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.849 -19.713 -4.649 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.755 -18.793 -3.312 1.00 0.34 C ATOM 0 H VAL A 16 7.935 -17.356 -1.307 1.00 43.13 H new ATOM 0 HA VAL A 16 7.874 -16.993 -4.222 1.00 14.13 H new ATOM 0 HB VAL A 16 7.915 -19.526 -2.529 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.346 -20.683 -4.658 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.769 -19.859 -4.661 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.148 -19.144 -5.530 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.226 -19.776 -3.339 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.105 -18.199 -4.156 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.018 -18.291 -2.381 1.00 0.34 H new ATOM 227 N LEU A 17 5.381 -16.982 -4.252 1.00 52.23 N ATOM 228 CA LEU A 17 3.934 -17.071 -4.402 1.00 52.32 C ATOM 229 C LEU A 17 3.560 -17.598 -5.784 1.00 63.31 C ATOM 230 O LEU A 17 4.342 -17.498 -6.730 1.00 71.44 O ATOM 231 CB LEU A 17 3.292 -15.700 -4.176 1.00 44.04 C ATOM 232 CG LEU A 17 2.514 -15.530 -2.870 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.322 -14.718 -1.870 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.169 -14.871 -3.134 1.00 53.44 C ATOM 0 H LEU A 17 5.822 -16.273 -4.837 1.00 52.23 H new ATOM 0 HA LEU A 17 3.559 -17.769 -3.654 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.076 -14.944 -4.209 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.617 -15.496 -5.007 1.00 44.04 H new ATOM 0 HG LEU A 17 2.335 -16.517 -2.444 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.753 -14.607 -0.947 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.260 -15.231 -1.658 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.533 -13.733 -2.287 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.629 -14.758 -2.194 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.326 -13.890 -3.583 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.587 -15.492 -3.815 1.00 53.44 H new ATOM 246 N ASP A 18 2.360 -18.156 -5.893 1.00 52.03 N ATOM 247 CA ASP A 18 1.881 -18.696 -7.161 1.00 1.53 C ATOM 248 C ASP A 18 0.944 -17.710 -7.852 1.00 31.30 C ATOM 249 O ASP A 18 0.014 -17.187 -7.238 1.00 2.31 O ATOM 250 CB ASP A 18 1.162 -20.027 -6.934 1.00 21.40 C ATOM 251 CG ASP A 18 1.158 -20.901 -8.173 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.061 -20.348 -9.288 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.252 -22.138 -8.028 1.00 31.41 O1- ATOM 0 H ASP A 18 1.701 -18.247 -5.120 1.00 52.03 H new ATOM 0 HA ASP A 18 2.744 -18.863 -7.806 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.645 -20.563 -6.117 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.134 -19.834 -6.626 1.00 21.40 H new ATOM 258 N ALA A 19 1.196 -17.460 -9.132 1.00 54.11 N ATOM 259 CA ALA A 19 0.375 -16.537 -9.907 1.00 4.04 C ATOM 260 C ALA A 19 -0.882 -17.226 -10.427 1.00 72.45 C ATOM 261 O ALA A 19 -1.881 -16.572 -10.728 1.00 54.10 O ATOM 262 CB ALA A 19 1.179 -15.957 -11.062 1.00 64.31 C ATOM 0 H ALA A 19 1.962 -17.884 -9.655 1.00 54.11 H new ATOM 0 HA ALA A 19 0.067 -15.724 -9.250 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.554 -15.270 -11.632 1.00 64.31 H new ATOM 0 HB2 ALA A 19 2.044 -15.421 -10.670 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.516 -16.764 -11.712 1.00 64.31 H new ATOM 268 N VAL A 20 -0.825 -18.550 -10.533 1.00 1.32 N ATOM 269 CA VAL A 20 -1.960 -19.327 -11.017 1.00 4.11 C ATOM 270 C VAL A 20 -2.903 -19.692 -9.877 1.00 34.21 C ATOM 271 O VAL A 20 -4.122 -19.714 -10.048 1.00 24.34 O ATOM 272 CB VAL A 20 -1.497 -20.618 -11.719 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.690 -21.499 -12.056 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.698 -20.286 -12.971 1.00 1.33 C ATOM 0 H VAL A 20 -0.005 -19.107 -10.290 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.489 -18.701 -11.735 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.849 -21.170 -11.038 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.344 -22.406 -12.551 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.217 -21.764 -11.139 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.365 -20.959 -12.719 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.379 -21.209 -13.454 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.320 -19.713 -13.658 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.178 -19.698 -12.698 1.00 1.33 H new ATOM 284 N ARG A 21 -2.331 -19.978 -8.711 1.00 70.43 N ATOM 285 CA ARG A 21 -3.120 -20.343 -7.542 1.00 40.24 C ATOM 286 C ARG A 21 -3.381 -19.125 -6.661 1.00 25.13 C ATOM 287 O ARG A 21 -4.328 -19.105 -5.875 1.00 25.45 O ATOM 288 CB ARG A 21 -2.404 -21.426 -6.734 1.00 54.04 C ATOM 289 CG ARG A 21 -1.801 -22.527 -7.591 1.00 23.13 C ATOM 290 CD ARG A 21 -1.181 -23.622 -6.737 1.00 70.24 C ATOM 291 NE ARG A 21 -2.122 -24.145 -5.750 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.121 -24.968 -6.052 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.307 -25.359 -7.305 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.936 -25.402 -5.099 1.00 42.11 N ATOM 0 H ARG A 21 -1.324 -19.964 -8.552 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.078 -20.732 -7.888 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.614 -20.963 -6.143 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.110 -21.869 -6.031 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.573 -22.956 -8.230 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.042 -22.103 -8.248 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.841 -24.434 -7.380 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.301 -23.230 -6.227 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.006 -23.863 -4.776 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.683 -25.028 -8.041 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.075 -25.991 -7.534 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.796 -25.104 -4.134 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.702 -26.034 -5.332 1.00 42.11 H new ATOM 308 N GLY A 22 -2.534 -18.109 -6.797 1.00 14.01 N ATOM 309 CA GLY A 22 -2.690 -16.902 -6.007 1.00 71.33 C ATOM 310 C GLY A 22 -2.376 -17.124 -4.541 1.00 55.30 C ATOM 311 O GLY A 22 -2.853 -16.388 -3.678 1.00 35.44 O ATOM 0 H GLY A 22 -1.743 -18.101 -7.440 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.035 -16.126 -6.402 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.712 -16.537 -6.105 1.00 71.33 H new ATOM 315 N SER A 23 -1.570 -18.143 -4.258 1.00 52.31 N ATOM 316 CA SER A 23 -1.196 -18.463 -2.885 1.00 31.20 C ATOM 317 C SER A 23 0.280 -18.839 -2.798 1.00 73.43 C ATOM 318 O SER A 23 0.917 -19.193 -3.790 1.00 43.22 O ATOM 319 CB SER A 23 -2.058 -19.609 -2.354 1.00 51.44 C ATOM 320 OG SER A 23 -3.227 -19.118 -1.719 1.00 24.23 O ATOM 0 H SER A 23 -1.164 -18.761 -4.961 1.00 52.31 H new ATOM 0 HA SER A 23 -1.364 -17.577 -2.272 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.337 -20.269 -3.175 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.480 -20.205 -1.648 1.00 51.44 H new ATOM 0 HG SER A 23 -3.761 -19.871 -1.390 1.00 24.23 H new ATOM 326 N PRO A 24 0.838 -18.761 -1.581 1.00 13.40 N ATOM 327 CA PRO A 24 2.245 -19.089 -1.333 1.00 34.35 C ATOM 328 C PRO A 24 2.525 -20.582 -1.473 1.00 53.53 C ATOM 329 O PRO A 24 1.764 -21.414 -0.983 1.00 40.42 O ATOM 330 CB PRO A 24 2.466 -18.638 0.113 1.00 12.41 C ATOM 331 CG PRO A 24 1.114 -18.694 0.738 1.00 62.31 C ATOM 332 CD PRO A 24 0.139 -18.346 -0.353 1.00 53.31 C ATOM 0 HA PRO A 24 2.908 -18.606 -2.051 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.168 -19.293 0.629 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.880 -17.631 0.155 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.911 -19.686 1.141 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.038 -17.991 1.568 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.806 -18.875 -0.231 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.090 -17.280 -0.362 1.00 53.31 H new ATOM 340 N ALA A 25 3.624 -20.913 -2.145 1.00 24.51 N ATOM 341 CA ALA A 25 4.005 -22.305 -2.347 1.00 10.44 C ATOM 342 C ALA A 25 4.690 -22.871 -1.108 1.00 33.45 C ATOM 343 O ALA A 25 5.386 -22.153 -0.389 1.00 43.13 O ATOM 344 CB ALA A 25 4.915 -22.431 -3.560 1.00 61.41 C ATOM 0 H ALA A 25 4.265 -20.236 -2.558 1.00 24.51 H new ATOM 0 HA ALA A 25 3.098 -22.883 -2.525 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.192 -23.476 -3.700 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.391 -22.073 -4.446 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.814 -21.835 -3.404 1.00 61.41 H new ATOM 350 N ILE A 26 4.488 -24.162 -0.864 1.00 22.35 N ATOM 351 CA ILE A 26 5.086 -24.824 0.288 1.00 34.21 C ATOM 352 C ILE A 26 6.196 -25.778 -0.141 1.00 14.43 C ATOM 353 O ILE A 26 6.099 -26.431 -1.178 1.00 25.11 O ATOM 354 CB ILE A 26 4.035 -25.608 1.096 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.086 -24.644 1.809 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.716 -26.528 2.098 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.028 -25.340 2.639 1.00 11.52 C ATOM 0 H ILE A 26 3.915 -24.770 -1.449 1.00 22.35 H new ATOM 0 HA ILE A 26 5.506 -24.041 0.918 1.00 34.21 H new ATOM 0 HB ILE A 26 3.452 -26.220 0.408 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.667 -23.985 2.454 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.597 -24.013 1.067 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.960 -27.075 2.661 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.355 -27.234 1.568 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.321 -25.935 2.784 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.391 -24.595 3.116 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.422 -25.977 1.995 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.509 -25.949 3.404 1.00 11.52 H new ATOM 369 N ASN A 27 7.250 -25.852 0.666 1.00 12.42 N ATOM 370 CA ASN A 27 8.379 -26.726 0.370 1.00 73.32 C ATOM 371 C ASN A 27 9.000 -26.375 -0.978 1.00 13.34 C ATOM 372 O ASN A 27 9.210 -27.247 -1.822 1.00 65.22 O ATOM 373 CB ASN A 27 7.931 -28.190 0.372 1.00 73.52 C ATOM 374 CG ASN A 27 7.794 -28.749 1.775 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.092 -29.918 2.021 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.340 -27.914 2.703 1.00 31.42 N ATOM 0 H ASN A 27 7.345 -25.317 1.529 1.00 12.42 H new ATOM 0 HA ASN A 27 9.132 -26.581 1.145 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.976 -28.276 -0.146 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.651 -28.789 -0.186 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.226 -28.234 3.665 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.105 -26.953 2.454 1.00 31.42 H new ATOM 383 N VAL A 28 9.293 -25.094 -1.173 1.00 10.34 N ATOM 384 CA VAL A 28 9.893 -24.628 -2.418 1.00 3.15 C ATOM 385 C VAL A 28 11.413 -24.588 -2.315 1.00 50.12 C ATOM 386 O VAL A 28 11.985 -23.643 -1.772 1.00 52.30 O ATOM 387 CB VAL A 28 9.379 -23.226 -2.797 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.144 -22.682 -3.995 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.885 -23.265 -3.083 1.00 33.20 C ATOM 0 H VAL A 28 9.125 -24.360 -0.485 1.00 10.34 H new ATOM 0 HA VAL A 28 9.603 -25.337 -3.194 1.00 3.15 H new ATOM 0 HB VAL A 28 9.547 -22.557 -1.953 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.767 -21.691 -4.248 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.204 -22.615 -3.750 1.00 40.10 H new ATOM 0 HG13 VAL A 28 10.010 -23.350 -4.846 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.539 -22.266 -3.349 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.691 -23.948 -3.910 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.354 -23.609 -2.196 1.00 33.20 H new ATOM 399 N ALA A 29 12.063 -25.622 -2.841 1.00 21.11 N ATOM 400 CA ALA A 29 13.518 -25.704 -2.811 1.00 13.43 C ATOM 401 C ALA A 29 14.152 -24.453 -3.409 1.00 73.30 C ATOM 402 O ALA A 29 14.098 -24.235 -4.619 1.00 24.22 O ATOM 403 CB ALA A 29 13.991 -26.945 -3.553 1.00 1.22 C ATOM 0 H ALA A 29 11.605 -26.414 -3.293 1.00 21.11 H new ATOM 0 HA ALA A 29 13.832 -25.775 -1.770 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.079 -26.994 -3.523 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.574 -27.834 -3.078 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.658 -26.898 -4.590 1.00 1.22 H new ATOM 409 N VAL A 30 14.752 -23.632 -2.552 1.00 52.51 N ATOM 410 CA VAL A 30 15.396 -22.403 -2.997 1.00 62.05 C ATOM 411 C VAL A 30 16.881 -22.402 -2.648 1.00 64.44 C ATOM 412 O VAL A 30 17.282 -22.900 -1.595 1.00 3.33 O ATOM 413 CB VAL A 30 14.733 -21.162 -2.368 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.362 -19.887 -2.908 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.233 -21.175 -2.621 1.00 50.55 C ATOM 0 H VAL A 30 14.805 -23.796 -1.547 1.00 52.51 H new ATOM 0 HA VAL A 30 15.280 -22.360 -4.080 1.00 62.05 H new ATOM 0 HB VAL A 30 14.898 -21.191 -1.291 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.880 -19.022 -2.452 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.426 -19.877 -2.670 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.231 -19.847 -3.989 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.780 -20.292 -2.170 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.045 -21.171 -3.695 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.797 -22.071 -2.180 1.00 50.55 H new ATOM 425 N HIS A 31 17.692 -21.843 -3.539 1.00 4.33 N ATOM 426 CA HIS A 31 19.133 -21.777 -3.326 1.00 20.44 C ATOM 427 C HIS A 31 19.661 -20.374 -3.609 1.00 70.41 C ATOM 428 O HIS A 31 19.122 -19.654 -4.450 1.00 62.13 O ATOM 429 CB HIS A 31 19.849 -22.794 -4.216 1.00 42.03 C ATOM 430 CG HIS A 31 19.139 -24.108 -4.313 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.928 -24.763 -5.508 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.591 -24.892 -3.354 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.280 -25.892 -5.281 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.063 -25.994 -3.982 1.00 23.04 N ATOM 0 H HIS A 31 17.376 -21.429 -4.416 1.00 4.33 H new ATOM 0 HA HIS A 31 19.332 -22.016 -2.281 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.959 -22.375 -5.216 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.854 -22.961 -3.828 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.573 -24.689 -2.293 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.979 -26.609 -6.030 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.582 -26.766 -3.520 1.00 23.04 H new ATOM 442 N VAL A 32 20.720 -19.990 -2.902 1.00 33.14 N ATOM 443 CA VAL A 32 21.322 -18.675 -3.078 1.00 13.25 C ATOM 444 C VAL A 32 22.832 -18.778 -3.249 1.00 62.02 C ATOM 445 O VAL A 32 23.527 -19.344 -2.404 1.00 63.22 O ATOM 446 CB VAL A 32 21.014 -17.752 -1.882 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.403 -16.317 -2.202 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.543 -17.844 -1.504 1.00 30.45 C ATOM 0 H VAL A 32 21.178 -20.573 -2.201 1.00 33.14 H new ATOM 0 HA VAL A 32 20.886 -18.247 -3.981 1.00 13.25 H new ATOM 0 HB VAL A 32 21.606 -18.081 -1.028 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.179 -15.680 -1.347 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.470 -16.269 -2.420 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.840 -15.972 -3.069 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.343 -17.186 -0.658 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.930 -17.541 -2.353 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.301 -18.871 -1.230 1.00 30.45 H new ATOM 458 N PHE A 33 23.336 -18.230 -4.350 1.00 14.51 N ATOM 459 CA PHE A 33 24.766 -18.262 -4.633 1.00 10.33 C ATOM 460 C PHE A 33 25.324 -16.848 -4.777 1.00 51.44 C ATOM 461 O PHE A 33 24.575 -15.892 -4.973 1.00 61.13 O ATOM 462 CB PHE A 33 25.037 -19.061 -5.910 1.00 54.22 C ATOM 463 CG PHE A 33 24.643 -20.506 -5.807 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.310 -20.879 -5.845 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.607 -21.493 -5.671 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.943 -22.209 -5.751 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.247 -22.824 -5.577 1.00 51.24 C ATOM 468 CZ PHE A 33 23.913 -23.183 -5.615 1.00 15.51 C ATOM 0 H PHE A 33 22.776 -17.759 -5.060 1.00 14.51 H new ATOM 0 HA PHE A 33 25.266 -18.748 -3.795 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.495 -18.603 -6.738 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.098 -18.998 -6.150 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.547 -20.122 -5.949 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.651 -21.219 -5.638 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.900 -22.486 -5.784 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.008 -23.583 -5.474 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.630 -24.222 -5.539 1.00 15.51 H new ATOM 478 N ARG A 34 26.643 -16.726 -4.676 1.00 32.15 N ATOM 479 CA ARG A 34 27.302 -15.431 -4.793 1.00 13.44 C ATOM 480 C ARG A 34 28.329 -15.442 -5.921 1.00 21.02 C ATOM 481 O ARG A 34 28.978 -16.457 -6.176 1.00 3.34 O ATOM 482 CB ARG A 34 27.983 -15.061 -3.474 1.00 72.25 C ATOM 483 CG ARG A 34 29.293 -15.793 -3.238 1.00 3.34 C ATOM 484 CD ARG A 34 29.659 -15.818 -1.762 1.00 53.42 C ATOM 485 NE ARG A 34 31.101 -15.710 -1.554 1.00 31.04 N ATOM 486 CZ ARG A 34 31.653 -15.359 -0.398 1.00 34.30 C ATOM 487 NH1 ARG A 34 30.887 -15.084 0.650 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.972 -15.283 -0.287 1.00 2.43 N ATOM 0 H ARG A 34 27.277 -17.508 -4.513 1.00 32.15 H new ATOM 0 HA ARG A 34 26.542 -14.685 -5.025 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.169 -13.987 -3.460 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.302 -15.277 -2.651 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.213 -16.814 -3.612 1.00 3.34 H new ATOM 0 HG3 ARG A 34 30.089 -15.308 -3.803 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.156 -14.998 -1.250 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.296 -16.743 -1.314 1.00 53.42 H new ATOM 0 HE ARG A 34 31.718 -15.915 -2.340 1.00 31.04 H new ATOM 0 HH11 ARG A 34 29.872 -15.142 0.569 1.00 44.53 H new ATOM 0 HH12 ARG A 34 31.313 -14.815 1.537 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.564 -15.494 -1.090 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.394 -15.013 0.601 1.00 2.43 H new ATOM 502 N LYS A 35 28.470 -14.307 -6.597 1.00 54.20 N ATOM 503 CA LYS A 35 29.418 -14.185 -7.699 1.00 73.31 C ATOM 504 C LYS A 35 30.854 -14.278 -7.194 1.00 71.34 C ATOM 505 O LYS A 35 31.292 -13.458 -6.388 1.00 63.22 O ATOM 506 CB LYS A 35 29.209 -12.859 -8.434 1.00 24.12 C ATOM 507 CG LYS A 35 30.339 -12.506 -9.386 1.00 14.42 C ATOM 508 CD LYS A 35 30.501 -13.556 -10.472 1.00 34.13 C ATOM 509 CE LYS A 35 29.340 -13.526 -11.454 1.00 42.22 C ATOM 510 NZ LYS A 35 29.365 -12.304 -12.305 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.940 -13.458 -6.401 1.00 54.20 H new ATOM 0 HA LYS A 35 29.241 -15.009 -8.391 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.275 -12.907 -8.994 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.100 -12.060 -7.701 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.142 -11.536 -9.843 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.270 -12.412 -8.828 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.436 -13.387 -11.007 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.569 -14.544 -10.017 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.378 -14.411 -12.089 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.399 -13.567 -10.905 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.715 -12.426 -13.107 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.069 -11.482 -11.741 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.329 -12.149 -12.662 1.00 53.31 H new ATOM 524 N ALA A 36 31.581 -15.281 -7.674 1.00 33.44 N ATOM 525 CA ALA A 36 32.969 -15.479 -7.273 1.00 70.02 C ATOM 526 C ALA A 36 33.911 -14.623 -8.115 1.00 20.11 C ATOM 527 O ALA A 36 33.468 -13.840 -8.956 1.00 35.22 O ATOM 528 CB ALA A 36 33.347 -16.948 -7.385 1.00 3.22 C ATOM 0 H ALA A 36 31.232 -15.969 -8.341 1.00 33.44 H new ATOM 0 HA ALA A 36 33.068 -15.168 -6.233 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.386 -17.080 -7.082 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.702 -17.540 -6.736 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.225 -17.278 -8.417 1.00 3.22 H new ATOM 534 N ALA A 37 35.209 -14.776 -7.882 1.00 24.23 N ATOM 535 CA ALA A 37 36.213 -14.019 -8.620 1.00 41.33 C ATOM 536 C ALA A 37 36.483 -14.646 -9.982 1.00 62.24 C ATOM 537 O ALA A 37 37.169 -14.062 -10.821 1.00 15.13 O ATOM 538 CB ALA A 37 37.500 -13.926 -7.815 1.00 20.34 C ATOM 0 H ALA A 37 35.591 -15.418 -7.187 1.00 24.23 H new ATOM 0 HA ALA A 37 35.826 -13.013 -8.784 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.241 -13.358 -8.378 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.301 -13.424 -6.868 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.881 -14.929 -7.622 1.00 20.34 H new ATOM 544 N ASP A 38 35.939 -15.839 -10.197 1.00 62.14 N ATOM 545 CA ASP A 38 36.121 -16.547 -11.459 1.00 4.12 C ATOM 546 C ASP A 38 34.852 -16.487 -12.304 1.00 0.42 C ATOM 547 O ASP A 38 34.575 -17.391 -13.093 1.00 23.13 O ATOM 548 CB ASP A 38 36.508 -18.003 -11.202 1.00 0.10 C ATOM 549 CG ASP A 38 37.469 -18.541 -12.244 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.645 -18.120 -12.240 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.046 -19.383 -13.062 1.00 5.41 O ATOM 0 H ASP A 38 35.368 -16.336 -9.513 1.00 62.14 H new ATOM 0 HA ASP A 38 36.926 -16.057 -12.008 1.00 4.12 H new ATOM 0 HB2 ASP A 38 36.964 -18.086 -10.215 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.608 -18.618 -11.190 1.00 0.10 H new ATOM 556 N ASP A 39 34.083 -15.417 -12.131 1.00 22.23 N ATOM 557 CA ASP A 39 32.842 -15.240 -12.878 1.00 13.11 C ATOM 558 C ASP A 39 31.897 -16.414 -12.648 1.00 31.25 C ATOM 559 O ASP A 39 31.040 -16.708 -13.483 1.00 44.13 O ATOM 560 CB ASP A 39 33.138 -15.089 -14.371 1.00 2.13 C ATOM 561 CG ASP A 39 33.838 -13.785 -14.696 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.316 -12.719 -14.306 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 34.907 -13.828 -15.339 1.00 22.43 O ATOM 0 H ASP A 39 34.296 -14.660 -11.481 1.00 22.23 H new ATOM 0 HA ASP A 39 32.356 -14.332 -12.519 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.758 -15.922 -14.701 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.204 -15.145 -14.931 1.00 2.13 H new ATOM 568 N THR A 40 32.058 -17.084 -11.512 1.00 30.11 N ATOM 569 CA THR A 40 31.221 -18.228 -11.173 1.00 25.33 C ATOM 570 C THR A 40 30.272 -17.895 -10.028 1.00 51.15 C ATOM 571 O THR A 40 30.211 -16.754 -9.572 1.00 63.30 O ATOM 572 CB THR A 40 32.073 -19.450 -10.781 1.00 62.55 C ATOM 573 OG1 THR A 40 32.815 -19.169 -9.589 1.00 73.04 O ATOM 574 CG2 THR A 40 33.029 -19.827 -11.903 1.00 33.22 C ATOM 0 H THR A 40 32.761 -16.854 -10.810 1.00 30.11 H new ATOM 0 HA THR A 40 30.640 -18.470 -12.063 1.00 25.33 H new ATOM 0 HB THR A 40 31.401 -20.289 -10.601 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.352 -19.952 -9.346 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.620 -20.692 -11.602 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.459 -20.070 -12.800 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.694 -18.989 -12.112 1.00 33.22 H new ATOM 582 N TRP A 41 29.535 -18.900 -9.566 1.00 51.02 N ATOM 583 CA TRP A 41 28.589 -18.713 -8.472 1.00 63.44 C ATOM 584 C TRP A 41 28.856 -19.705 -7.346 1.00 42.43 C ATOM 585 O TRP A 41 28.692 -20.912 -7.519 1.00 72.23 O ATOM 586 CB TRP A 41 27.154 -18.870 -8.978 1.00 61.33 C ATOM 587 CG TRP A 41 26.786 -17.878 -10.038 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.667 -18.115 -11.378 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.489 -16.490 -9.847 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.315 -16.959 -12.031 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.199 -15.948 -11.115 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.440 -15.654 -8.729 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.865 -14.608 -11.291 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.108 -14.324 -8.907 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.824 -13.812 -10.179 1.00 4.00 C ATOM 0 H TRP A 41 29.575 -19.851 -9.932 1.00 51.02 H new ATOM 0 HA TRP A 41 28.720 -17.704 -8.080 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.024 -19.878 -9.373 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.467 -18.765 -8.138 1.00 61.33 H new ATOM 0 HD1 TRP A 41 26.826 -19.071 -11.854 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.164 -16.868 -13.036 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.657 -16.040 -7.744 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.646 -14.211 -12.271 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.067 -13.668 -8.050 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.568 -12.768 -10.284 1.00 4.00 H new ATOM 606 N GLU A 42 29.268 -19.187 -6.192 1.00 14.31 N ATOM 607 CA GLU A 42 29.558 -20.031 -5.039 1.00 22.31 C ATOM 608 C GLU A 42 28.328 -20.174 -4.146 1.00 30.22 C ATOM 609 O GLU A 42 27.419 -19.345 -4.163 1.00 23.11 O ATOM 610 CB GLU A 42 30.721 -19.448 -4.233 1.00 42.11 C ATOM 611 CG GLU A 42 32.088 -19.846 -4.763 1.00 72.32 C ATOM 612 CD GLU A 42 33.161 -19.817 -3.691 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.235 -20.779 -2.898 1.00 22.45 O ATOM 614 OE2 GLU A 42 33.926 -18.830 -3.644 1.00 22.10 O1- ATOM 0 H GLU A 42 29.408 -18.189 -6.032 1.00 14.31 H new ATOM 0 HA GLU A 42 29.837 -21.019 -5.405 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.643 -18.361 -4.233 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.633 -19.774 -3.197 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.031 -20.848 -5.188 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.370 -19.172 -5.572 1.00 72.32 H new ATOM 621 N PRO A 43 28.299 -21.252 -3.348 1.00 55.32 N ATOM 622 CA PRO A 43 27.188 -21.530 -2.434 1.00 0.45 C ATOM 623 C PRO A 43 27.134 -20.545 -1.271 1.00 61.23 C ATOM 624 O PRO A 43 28.084 -20.431 -0.497 1.00 55.41 O ATOM 625 CB PRO A 43 27.491 -22.942 -1.926 1.00 61.34 C ATOM 626 CG PRO A 43 28.967 -23.085 -2.065 1.00 40.42 C ATOM 627 CD PRO A 43 29.349 -22.281 -3.276 1.00 75.22 C ATOM 0 HA PRO A 43 26.221 -21.439 -2.928 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.177 -23.066 -0.890 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.963 -23.695 -2.511 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.480 -22.719 -1.176 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.248 -24.131 -2.187 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.339 -21.838 -3.168 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.371 -22.896 -4.176 1.00 75.22 H new ATOM 635 N PHE A 44 26.016 -19.836 -1.153 1.00 1.12 N ATOM 636 CA PHE A 44 25.838 -18.861 -0.084 1.00 62.35 C ATOM 637 C PHE A 44 24.846 -19.370 0.957 1.00 72.22 C ATOM 638 O PHE A 44 25.153 -19.424 2.147 1.00 41.04 O ATOM 639 CB PHE A 44 25.354 -17.527 -0.657 1.00 22.21 C ATOM 640 CG PHE A 44 25.253 -16.435 0.370 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.389 -15.942 0.990 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.022 -15.901 0.713 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.299 -14.938 1.936 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.925 -14.896 1.658 1.00 23.30 C ATOM 645 CZ PHE A 44 25.065 -14.413 2.268 1.00 2.44 C ATOM 0 H PHE A 44 25.220 -19.919 -1.785 1.00 1.12 H new ATOM 0 HA PHE A 44 26.802 -18.712 0.402 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.036 -17.211 -1.446 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.377 -17.672 -1.119 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.356 -16.347 0.731 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.127 -16.274 0.237 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.192 -14.565 2.415 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.959 -14.490 1.918 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.992 -13.626 3.004 1.00 2.44 H new ATOM 655 N ALA A 45 23.655 -19.742 0.500 1.00 74.54 N ATOM 656 CA ALA A 45 22.618 -20.248 1.390 1.00 71.13 C ATOM 657 C ALA A 45 21.583 -21.060 0.621 1.00 63.11 C ATOM 658 O ALA A 45 21.644 -21.162 -0.604 1.00 0.42 O ATOM 659 CB ALA A 45 21.948 -19.098 2.127 1.00 14.12 C ATOM 0 H ALA A 45 23.384 -19.702 -0.483 1.00 74.54 H new ATOM 0 HA ALA A 45 23.089 -20.907 2.119 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.175 -19.491 2.788 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.691 -18.561 2.716 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.496 -18.417 1.405 1.00 14.12 H new ATOM 665 N SER A 46 20.631 -21.639 1.348 1.00 60.52 N ATOM 666 CA SER A 46 19.585 -22.447 0.733 1.00 52.32 C ATOM 667 C SER A 46 18.498 -22.789 1.747 1.00 40.50 C ATOM 668 O SER A 46 18.749 -22.843 2.950 1.00 65.02 O ATOM 669 CB SER A 46 20.177 -23.731 0.150 1.00 70.12 C ATOM 670 OG SER A 46 19.203 -24.757 0.083 1.00 13.53 O ATOM 0 H SER A 46 20.563 -21.563 2.363 1.00 60.52 H new ATOM 0 HA SER A 46 19.137 -21.865 -0.073 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.571 -23.534 -0.847 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.015 -24.060 0.764 1.00 70.12 H new ATOM 0 HG SER A 46 19.606 -25.567 -0.295 1.00 13.53 H new ATOM 676 N GLY A 47 17.285 -23.021 1.251 1.00 11.14 N ATOM 677 CA GLY A 47 16.177 -23.356 2.126 1.00 1.53 C ATOM 678 C GLY A 47 14.870 -23.506 1.374 1.00 63.12 C ATOM 679 O GLY A 47 14.806 -23.261 0.169 1.00 62.23 O ATOM 0 H GLY A 47 17.051 -22.983 0.259 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.400 -24.285 2.650 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.069 -22.580 2.884 1.00 1.53 H new ATOM 683 N LYS A 48 13.824 -23.912 2.085 1.00 51.41 N ATOM 684 CA LYS A 48 12.510 -24.095 1.479 1.00 3.33 C ATOM 685 C LYS A 48 11.489 -23.144 2.095 1.00 14.54 C ATOM 686 O LYS A 48 11.691 -22.625 3.193 1.00 53.10 O ATOM 687 CB LYS A 48 12.043 -25.543 1.651 1.00 54.50 C ATOM 688 CG LYS A 48 12.902 -26.551 0.908 1.00 35.21 C ATOM 689 CD LYS A 48 12.467 -27.977 1.200 1.00 13.00 C ATOM 690 CE LYS A 48 13.445 -28.988 0.623 1.00 55.05 C ATOM 691 NZ LYS A 48 13.104 -30.381 1.022 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.860 -24.121 3.083 1.00 51.41 H new ATOM 0 HA LYS A 48 12.594 -23.870 0.416 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.041 -25.792 2.712 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.014 -25.628 1.302 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.840 -26.363 -0.164 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.946 -26.422 1.194 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.387 -28.121 2.278 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.475 -28.149 0.781 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.446 -28.912 -0.464 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.454 -28.750 0.960 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.795 -31.040 0.608 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.127 -30.461 2.059 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.151 -30.617 0.678 1.00 60.34 H new ATOM 705 N THR A 49 10.390 -22.920 1.381 1.00 35.43 N ATOM 706 CA THR A 49 9.337 -22.032 1.857 1.00 51.31 C ATOM 707 C THR A 49 8.294 -22.798 2.663 1.00 3.20 C ATOM 708 O THR A 49 8.295 -24.029 2.687 1.00 55.41 O ATOM 709 CB THR A 49 8.639 -21.310 0.689 1.00 40.10 C ATOM 710 OG1 THR A 49 7.971 -22.263 -0.146 1.00 34.44 O ATOM 711 CG2 THR A 49 9.644 -20.521 -0.137 1.00 72.54 C ATOM 0 H THR A 49 10.206 -23.342 0.471 1.00 35.43 H new ATOM 0 HA THR A 49 9.815 -21.291 2.498 1.00 51.31 H new ATOM 0 HB THR A 49 7.909 -20.615 1.104 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.005 -22.101 -0.119 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.128 -20.020 -0.956 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.130 -19.778 0.495 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.395 -21.200 -0.542 1.00 72.54 H new ATOM 719 N SER A 50 7.404 -22.062 3.321 1.00 13.14 N ATOM 720 CA SER A 50 6.356 -22.674 4.130 1.00 23.01 C ATOM 721 C SER A 50 4.975 -22.241 3.647 1.00 61.40 C ATOM 722 O SER A 50 4.834 -21.678 2.562 1.00 4.13 O ATOM 723 CB SER A 50 6.535 -22.297 5.602 1.00 14.25 C ATOM 724 OG SER A 50 7.902 -22.331 5.975 1.00 22.21 O ATOM 0 H SER A 50 7.387 -21.042 3.310 1.00 13.14 H new ATOM 0 HA SER A 50 6.435 -23.756 4.026 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.132 -21.299 5.777 1.00 14.25 H new ATOM 0 HB3 SER A 50 5.967 -22.985 6.228 1.00 14.25 H new ATOM 0 HG SER A 50 7.990 -22.085 6.919 1.00 22.21 H new ATOM 730 N GLU A 51 3.959 -22.509 4.462 1.00 40.23 N ATOM 731 CA GLU A 51 2.589 -22.149 4.118 1.00 60.32 C ATOM 732 C GLU A 51 2.465 -20.646 3.882 1.00 42.55 C ATOM 733 O GLU A 51 1.518 -20.184 3.245 1.00 73.13 O ATOM 734 CB GLU A 51 1.629 -22.583 5.228 1.00 71.34 C ATOM 735 CG GLU A 51 2.123 -22.244 6.625 1.00 5.20 C ATOM 736 CD GLU A 51 1.067 -21.547 7.462 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.137 -22.231 7.934 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.175 -20.316 7.646 1.00 51.42 O1- ATOM 0 H GLU A 51 4.059 -22.974 5.364 1.00 40.23 H new ATOM 0 HA GLU A 51 2.325 -22.668 3.196 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.662 -22.106 5.068 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.469 -23.659 5.159 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.435 -23.159 7.128 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.003 -21.605 6.551 1.00 5.20 H new ATOM 745 N SER A 52 3.426 -19.889 4.400 1.00 0.31 N ATOM 746 CA SER A 52 3.424 -18.439 4.250 1.00 24.21 C ATOM 747 C SER A 52 4.195 -18.020 3.002 1.00 24.50 C ATOM 748 O SER A 52 4.070 -16.891 2.531 1.00 12.24 O ATOM 749 CB SER A 52 4.033 -17.776 5.486 1.00 63.01 C ATOM 750 OG SER A 52 3.082 -17.672 6.532 1.00 15.33 O ATOM 0 H SER A 52 4.217 -20.256 4.928 1.00 0.31 H new ATOM 0 HA SER A 52 2.390 -18.112 4.144 1.00 24.21 H new ATOM 0 HB2 SER A 52 4.891 -18.355 5.827 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.401 -16.784 5.226 1.00 63.01 H new ATOM 0 HG SER A 52 3.498 -17.246 7.311 1.00 15.33 H new ATOM 756 N GLY A 53 4.992 -18.941 2.470 1.00 45.14 N ATOM 757 CA GLY A 53 5.773 -18.651 1.281 1.00 60.22 C ATOM 758 C GLY A 53 7.039 -17.879 1.594 1.00 74.10 C ATOM 759 O GLY A 53 7.826 -17.577 0.697 1.00 12.51 O ATOM 0 H GLY A 53 5.111 -19.884 2.841 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.034 -19.586 0.785 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.165 -18.078 0.581 1.00 60.22 H new ATOM 763 N GLU A 54 7.235 -17.557 2.869 1.00 43.33 N ATOM 764 CA GLU A 54 8.414 -16.814 3.296 1.00 51.21 C ATOM 765 C GLU A 54 9.546 -17.762 3.681 1.00 32.34 C ATOM 766 O GLU A 54 9.313 -18.815 4.278 1.00 45.34 O ATOM 767 CB GLU A 54 8.071 -15.904 4.478 1.00 52.21 C ATOM 768 CG GLU A 54 7.733 -16.663 5.751 1.00 3.13 C ATOM 769 CD GLU A 54 7.460 -15.741 6.923 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.128 -14.561 6.684 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 7.576 -16.200 8.079 1.00 3.21 O ATOM 0 H GLU A 54 6.593 -17.799 3.623 1.00 43.33 H new ATOM 0 HA GLU A 54 8.747 -16.200 2.459 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.914 -15.242 4.673 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.226 -15.272 4.206 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.859 -17.290 5.575 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.558 -17.330 6.002 1.00 3.13 H new ATOM 778 N LEU A 55 10.772 -17.383 3.336 1.00 2.41 N ATOM 779 CA LEU A 55 11.940 -18.198 3.645 1.00 22.44 C ATOM 780 C LEU A 55 13.046 -17.353 4.269 1.00 75.42 C ATOM 781 O LEU A 55 13.716 -16.583 3.579 1.00 42.00 O ATOM 782 CB LEU A 55 12.458 -18.884 2.379 1.00 1.43 C ATOM 783 CG LEU A 55 13.790 -19.623 2.513 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.746 -20.595 3.682 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.126 -20.354 1.221 1.00 12.22 C ATOM 0 H LEU A 55 10.982 -16.516 2.842 1.00 2.41 H new ATOM 0 HA LEU A 55 11.640 -18.959 4.366 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.704 -19.594 2.040 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.560 -18.131 1.598 1.00 1.43 H new ATOM 0 HG LEU A 55 14.573 -18.890 2.707 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.702 -21.112 3.762 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.552 -20.047 4.604 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.952 -21.324 3.519 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.077 -20.874 1.334 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.341 -21.077 0.997 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.201 -19.635 0.405 1.00 12.22 H new ATOM 797 N HIS A 56 13.233 -17.501 5.576 1.00 62.22 N ATOM 798 CA HIS A 56 14.260 -16.753 6.292 1.00 52.21 C ATOM 799 C HIS A 56 15.232 -17.698 6.992 1.00 65.14 C ATOM 800 O HIS A 56 15.023 -18.910 7.021 1.00 61.43 O ATOM 801 CB HIS A 56 13.617 -15.815 7.315 1.00 44.24 C ATOM 802 CG HIS A 56 12.536 -16.462 8.125 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.722 -16.884 9.425 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.252 -16.756 7.814 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.598 -17.412 9.878 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.691 -17.346 8.921 1.00 75.35 N ATOM 0 H HIS A 56 12.686 -18.133 6.162 1.00 62.22 H new ATOM 0 HA HIS A 56 14.816 -16.161 5.566 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.389 -15.441 7.988 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.202 -14.952 6.794 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.760 -16.563 6.872 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.447 -17.827 10.864 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.730 -17.679 8.992 1.00 75.35 H new ATOM 814 N GLY A 57 16.297 -17.133 7.555 1.00 54.50 N ATOM 815 CA GLY A 57 17.285 -17.940 8.246 1.00 51.11 C ATOM 816 C GLY A 57 18.329 -18.508 7.306 1.00 44.14 C ATOM 817 O GLY A 57 19.022 -19.470 7.643 1.00 3.50 O ATOM 0 H GLY A 57 16.492 -16.132 7.544 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.777 -17.334 9.007 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.784 -18.758 8.764 1.00 51.11 H new ATOM 821 N LEU A 58 18.444 -17.913 6.124 1.00 1.11 N ATOM 822 CA LEU A 58 19.411 -18.367 5.129 1.00 53.45 C ATOM 823 C LEU A 58 20.837 -18.066 5.581 1.00 62.15 C ATOM 824 O LEU A 58 21.663 -18.971 5.711 1.00 35.35 O ATOM 825 CB LEU A 58 19.139 -17.697 3.781 1.00 64.24 C ATOM 826 CG LEU A 58 18.099 -18.380 2.892 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.880 -17.578 1.617 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.529 -19.802 2.563 1.00 62.04 C ATOM 0 H LEU A 58 17.880 -17.115 5.831 1.00 1.11 H new ATOM 0 HA LEU A 58 19.303 -19.446 5.019 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.814 -16.673 3.965 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.078 -17.639 3.230 1.00 64.24 H new ATOM 0 HG LEU A 58 17.156 -18.425 3.436 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.137 -18.078 0.996 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.527 -16.579 1.872 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.819 -17.502 1.069 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.777 -20.272 1.930 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.484 -19.781 2.038 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.635 -20.373 3.486 1.00 62.04 H new ATOM 840 N THR A 59 21.120 -16.789 5.820 1.00 11.10 N ATOM 841 CA THR A 59 22.445 -16.370 6.258 1.00 32.02 C ATOM 842 C THR A 59 22.355 -15.237 7.275 1.00 65.34 C ATOM 843 O THR A 59 21.262 -14.813 7.653 1.00 12.31 O ATOM 844 CB THR A 59 23.309 -15.909 5.069 1.00 50.44 C ATOM 845 OG1 THR A 59 22.541 -15.070 4.200 1.00 55.13 O ATOM 846 CG2 THR A 59 23.839 -17.103 4.290 1.00 44.44 C ATOM 0 H THR A 59 20.449 -16.028 5.717 1.00 11.10 H new ATOM 0 HA THR A 59 22.913 -17.237 6.724 1.00 32.02 H new ATOM 0 HB THR A 59 24.156 -15.346 5.462 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.140 -14.611 3.575 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.446 -16.752 3.455 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.448 -17.724 4.946 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.003 -17.689 3.909 1.00 44.44 H new ATOM 854 N THR A 60 23.511 -14.750 7.715 1.00 54.44 N ATOM 855 CA THR A 60 23.562 -13.666 8.688 1.00 13.13 C ATOM 856 C THR A 60 24.162 -12.406 8.077 1.00 21.15 C ATOM 857 O THR A 60 24.681 -12.433 6.962 1.00 14.52 O ATOM 858 CB THR A 60 24.386 -14.065 9.929 1.00 25.41 C ATOM 859 OG1 THR A 60 25.677 -14.538 9.528 1.00 64.13 O ATOM 860 CG2 THR A 60 23.670 -15.142 10.729 1.00 52.01 C ATOM 0 H THR A 60 24.424 -15.089 7.413 1.00 54.44 H new ATOM 0 HA THR A 60 22.535 -13.464 8.992 1.00 13.13 H new ATOM 0 HB THR A 60 24.503 -13.184 10.560 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.195 -14.788 10.322 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.270 -15.408 11.600 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.700 -14.768 11.057 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.526 -16.024 10.105 1.00 52.01 H new ATOM 868 N GLU A 61 24.089 -11.303 8.816 1.00 22.20 N ATOM 869 CA GLU A 61 24.626 -10.031 8.345 1.00 34.44 C ATOM 870 C GLU A 61 26.151 -10.033 8.392 1.00 75.15 C ATOM 871 O GLU A 61 26.808 -9.358 7.601 1.00 20.20 O ATOM 872 CB GLU A 61 24.079 -8.878 9.188 1.00 63.34 C ATOM 873 CG GLU A 61 24.437 -7.504 8.643 1.00 15.31 C ATOM 874 CD GLU A 61 23.713 -6.385 9.367 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.579 -6.616 9.836 1.00 31.33 O ATOM 876 OE2 GLU A 61 24.280 -5.277 9.462 1.00 53.10 O1- ATOM 0 H GLU A 61 23.664 -11.264 9.742 1.00 22.20 H new ATOM 0 HA GLU A 61 24.313 -9.894 7.310 1.00 34.44 H new ATOM 0 HB2 GLU A 61 22.994 -8.965 9.248 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.462 -8.968 10.204 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.513 -7.352 8.729 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.193 -7.463 7.581 1.00 15.31 H new ATOM 883 N GLU A 62 26.707 -10.798 9.327 1.00 42.53 N ATOM 884 CA GLU A 62 28.154 -10.887 9.480 1.00 43.33 C ATOM 885 C GLU A 62 28.765 -11.748 8.379 1.00 65.32 C ATOM 886 O GLU A 62 29.944 -11.612 8.054 1.00 62.24 O ATOM 887 CB GLU A 62 28.510 -11.465 10.852 1.00 54.13 C ATOM 888 CG GLU A 62 27.709 -10.862 11.993 1.00 32.32 C ATOM 889 CD GLU A 62 28.589 -10.363 13.123 1.00 63.21 C ATOM 890 OE1 GLU A 62 28.932 -11.173 14.009 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.934 -9.163 13.122 1.00 12.42 O ATOM 0 H GLU A 62 26.177 -11.365 9.989 1.00 42.53 H new ATOM 0 HA GLU A 62 28.565 -9.880 9.401 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.348 -12.543 10.836 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.572 -11.305 11.040 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.108 -10.036 11.613 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.016 -11.609 12.380 1.00 32.32 H new ATOM 898 N GLU A 63 27.954 -12.633 7.809 1.00 72.05 N ATOM 899 CA GLU A 63 28.416 -13.518 6.745 1.00 4.24 C ATOM 900 C GLU A 63 28.076 -12.942 5.373 1.00 63.22 C ATOM 901 O GLU A 63 28.787 -13.176 4.396 1.00 24.32 O ATOM 902 CB GLU A 63 27.790 -14.906 6.897 1.00 2.20 C ATOM 903 CG GLU A 63 28.148 -15.862 5.773 1.00 63.03 C ATOM 904 CD GLU A 63 29.642 -16.095 5.661 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.351 -15.909 6.673 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 30.104 -16.466 4.561 1.00 13.21 O ATOM 0 H GLU A 63 26.975 -12.757 8.065 1.00 72.05 H new ATOM 0 HA GLU A 63 29.499 -13.606 6.825 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.110 -15.338 7.845 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.706 -14.803 6.943 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.646 -16.816 5.938 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.774 -15.464 4.830 1.00 63.03 H new ATOM 913 N PHE A 64 26.984 -12.187 5.308 1.00 65.55 N ATOM 914 CA PHE A 64 26.548 -11.579 4.057 1.00 2.44 C ATOM 915 C PHE A 64 27.536 -10.512 3.599 1.00 64.41 C ATOM 916 O PHE A 64 27.719 -9.491 4.264 1.00 23.03 O ATOM 917 CB PHE A 64 25.156 -10.965 4.222 1.00 11.52 C ATOM 918 CG PHE A 64 24.466 -10.684 2.918 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.841 -9.600 2.140 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.445 -11.506 2.468 1.00 23.14 C ATOM 921 CE1 PHE A 64 24.206 -9.340 0.940 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.808 -11.251 1.269 1.00 23.23 C ATOM 923 CZ PHE A 64 23.190 -10.167 0.503 1.00 20.10 C ATOM 0 H PHE A 64 26.385 -11.982 6.108 1.00 65.55 H new ATOM 0 HA PHE A 64 26.505 -12.360 3.297 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.537 -11.641 4.813 1.00 11.52 H new ATOM 0 HB3 PHE A 64 25.242 -10.036 4.786 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.637 -8.952 2.475 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.144 -12.356 3.062 1.00 23.14 H new ATOM 0 HE1 PHE A 64 24.504 -8.490 0.344 1.00 22.10 H new ATOM 0 HE2 PHE A 64 22.012 -11.898 0.931 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.695 -9.967 -0.436 1.00 20.10 H new ATOM 933 N VAL A 65 28.172 -10.753 2.457 1.00 21.05 N ATOM 934 CA VAL A 65 29.143 -9.814 1.907 1.00 15.40 C ATOM 935 C VAL A 65 28.550 -9.033 0.740 1.00 44.42 C ATOM 936 O VAL A 65 27.392 -9.228 0.374 1.00 15.41 O ATOM 937 CB VAL A 65 30.418 -10.536 1.434 1.00 4.22 C ATOM 938 CG1 VAL A 65 31.169 -11.126 2.618 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.073 -11.615 0.419 1.00 3.14 C ATOM 0 H VAL A 65 28.032 -11.592 1.894 1.00 21.05 H new ATOM 0 HA VAL A 65 29.404 -9.123 2.708 1.00 15.40 H new ATOM 0 HB VAL A 65 31.068 -9.808 0.949 1.00 4.22 H new ATOM 0 HG11 VAL A 65 32.067 -11.632 2.264 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.450 -10.328 3.305 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.529 -11.841 3.135 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.986 -12.115 0.095 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.403 -12.343 0.876 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.583 -11.161 -0.442 1.00 3.14 H new ATOM 949 N GLU A 66 29.355 -8.148 0.158 1.00 71.12 N ATOM 950 CA GLU A 66 28.909 -7.338 -0.970 1.00 72.12 C ATOM 951 C GLU A 66 29.200 -8.039 -2.293 1.00 23.14 C ATOM 952 O GLU A 66 29.970 -8.998 -2.344 1.00 1.30 O ATOM 953 CB GLU A 66 29.594 -5.969 -0.943 1.00 3.54 C ATOM 954 CG GLU A 66 31.061 -6.015 -1.335 1.00 73.15 C ATOM 955 CD GLU A 66 31.706 -4.643 -1.342 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.977 -3.645 -1.518 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 32.941 -4.568 -1.171 1.00 63.51 O ATOM 0 H GLU A 66 30.317 -7.974 0.449 1.00 71.12 H new ATOM 0 HA GLU A 66 27.831 -7.200 -0.883 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.067 -5.295 -1.618 1.00 3.54 H new ATOM 0 HB3 GLU A 66 29.507 -5.548 0.059 1.00 3.54 H new ATOM 0 HG2 GLU A 66 31.598 -6.662 -0.641 1.00 73.15 H new ATOM 0 HG3 GLU A 66 31.155 -6.462 -2.325 1.00 73.15 H new ATOM 964 N GLY A 67 28.576 -7.554 -3.363 1.00 24.52 N ATOM 965 CA GLY A 67 28.780 -8.146 -4.672 1.00 43.11 C ATOM 966 C GLY A 67 27.480 -8.573 -5.323 1.00 53.01 C ATOM 967 O GLY A 67 26.408 -8.090 -4.959 1.00 30.33 O ATOM 0 H GLY A 67 27.933 -6.762 -3.346 1.00 24.52 H new ATOM 0 HA2 GLY A 67 29.287 -7.429 -5.317 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.437 -9.011 -4.578 1.00 43.11 H new ATOM 971 N ILE A 68 27.574 -9.479 -6.291 1.00 63.14 N ATOM 972 CA ILE A 68 26.396 -9.969 -6.995 1.00 74.20 C ATOM 973 C ILE A 68 25.961 -11.329 -6.458 1.00 31.45 C ATOM 974 O ILE A 68 26.789 -12.133 -6.030 1.00 12.54 O ATOM 975 CB ILE A 68 26.654 -10.087 -8.510 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.288 -8.802 -9.042 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.357 -10.390 -9.245 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.791 -8.887 -9.195 1.00 72.12 C ATOM 0 H ILE A 68 28.454 -9.888 -6.605 1.00 63.14 H new ATOM 0 HA ILE A 68 25.602 -9.242 -6.825 1.00 74.20 H new ATOM 0 HB ILE A 68 27.347 -10.910 -8.684 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.846 -8.562 -10.009 1.00 50.12 H new ATOM 0 HG13 ILE A 68 27.046 -7.981 -8.368 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.555 -10.471 -10.314 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.943 -11.330 -8.881 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.642 -9.586 -9.068 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.172 -7.940 -9.577 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.244 -9.096 -8.226 1.00 72.12 H new ATOM 0 HD13 ILE A 68 29.041 -9.686 -9.893 1.00 72.12 H new ATOM 990 N TYR A 69 24.656 -11.578 -6.484 1.00 70.53 N ATOM 991 CA TYR A 69 24.110 -12.840 -5.998 1.00 5.55 C ATOM 992 C TYR A 69 23.229 -13.496 -7.056 1.00 31.10 C ATOM 993 O TYR A 69 22.840 -12.861 -8.038 1.00 43.33 O ATOM 994 CB TYR A 69 23.305 -12.612 -4.717 1.00 75.15 C ATOM 995 CG TYR A 69 24.164 -12.404 -3.491 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.612 -11.137 -3.139 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.530 -13.474 -2.684 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.397 -10.941 -2.020 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.314 -13.289 -1.562 1.00 72.34 C ATOM 1000 CZ TYR A 69 25.745 -12.021 -1.234 1.00 12.51 C ATOM 1001 OH TYR A 69 26.527 -11.831 -0.118 1.00 52.05 O ATOM 0 H TYR A 69 23.957 -10.923 -6.836 1.00 70.53 H new ATOM 0 HA TYR A 69 24.944 -13.508 -5.781 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.662 -11.742 -4.852 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.651 -13.468 -4.551 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.341 -10.290 -3.752 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.195 -14.469 -2.939 1.00 31.25 H new ATOM 0 HE1 TYR A 69 25.737 -9.949 -1.761 1.00 42.14 H new ATOM 0 HE2 TYR A 69 25.588 -14.132 -0.945 1.00 72.34 H new ATOM 0 HH TYR A 69 26.773 -10.885 -0.048 1.00 52.05 H new ATOM 1011 N LYS A 70 22.916 -14.770 -6.850 1.00 53.33 N ATOM 1012 CA LYS A 70 22.079 -15.514 -7.785 1.00 53.10 C ATOM 1013 C LYS A 70 21.214 -16.531 -7.047 1.00 14.23 C ATOM 1014 O LYS A 70 21.725 -17.474 -6.444 1.00 71.33 O ATOM 1015 CB LYS A 70 22.947 -16.225 -8.824 1.00 4.23 C ATOM 1016 CG LYS A 70 22.180 -16.669 -10.057 1.00 73.02 C ATOM 1017 CD LYS A 70 22.552 -18.084 -10.467 1.00 24.44 C ATOM 1018 CE LYS A 70 22.095 -19.103 -9.435 1.00 24.25 C ATOM 1019 NZ LYS A 70 20.631 -19.011 -9.175 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.229 -15.310 -6.043 1.00 53.33 H new ATOM 0 HA LYS A 70 21.424 -14.805 -8.292 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.753 -15.558 -9.129 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.411 -17.096 -8.362 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.109 -16.616 -9.859 1.00 73.02 H new ATOM 0 HG3 LYS A 70 22.386 -15.985 -10.880 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.101 -18.315 -11.432 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.632 -18.154 -10.595 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.340 -20.107 -9.783 1.00 24.25 H new ATOM 0 HE3 LYS A 70 22.640 -18.946 -8.504 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 20.368 -19.687 -8.430 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 20.393 -18.046 -8.868 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 20.109 -19.236 -10.046 1.00 5.14 H new ATOM 1033 N VAL A 71 19.900 -16.334 -7.103 1.00 73.11 N ATOM 1034 CA VAL A 71 18.963 -17.235 -6.443 1.00 34.45 C ATOM 1035 C VAL A 71 18.336 -18.203 -7.441 1.00 63.22 C ATOM 1036 O VAL A 71 18.051 -17.836 -8.580 1.00 63.42 O ATOM 1037 CB VAL A 71 17.844 -16.457 -5.727 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.826 -17.415 -5.127 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.429 -15.548 -4.656 1.00 13.51 C ATOM 0 H VAL A 71 19.461 -15.558 -7.599 1.00 73.11 H new ATOM 0 HA VAL A 71 19.533 -17.798 -5.704 1.00 34.45 H new ATOM 0 HB VAL A 71 17.332 -15.834 -6.460 1.00 32.41 H new ATOM 0 HG11 VAL A 71 16.043 -16.846 -4.625 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.384 -18.020 -5.919 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.320 -18.066 -4.406 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.624 -15.006 -4.160 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.967 -16.149 -3.923 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.115 -14.837 -5.117 1.00 13.51 H new ATOM 1049 N GLU A 72 18.124 -19.440 -7.004 1.00 52.24 N ATOM 1050 CA GLU A 72 17.530 -20.460 -7.860 1.00 34.02 C ATOM 1051 C GLU A 72 16.311 -21.089 -7.192 1.00 45.41 C ATOM 1052 O GLU A 72 16.409 -21.654 -6.103 1.00 32.53 O ATOM 1053 CB GLU A 72 18.560 -21.544 -8.189 1.00 24.24 C ATOM 1054 CG GLU A 72 18.962 -21.576 -9.654 1.00 50.22 C ATOM 1055 CD GLU A 72 18.218 -22.637 -10.440 1.00 65.25 C ATOM 1056 OE1 GLU A 72 16.991 -22.769 -10.247 1.00 13.41 O ATOM 1057 OE2 GLU A 72 18.863 -23.336 -11.250 1.00 24.10 O1- ATOM 0 H GLU A 72 18.354 -19.760 -6.063 1.00 52.24 H new ATOM 0 HA GLU A 72 17.209 -19.980 -8.784 1.00 34.02 H new ATOM 0 HB2 GLU A 72 19.450 -21.385 -7.580 1.00 24.24 H new ATOM 0 HB3 GLU A 72 18.153 -22.516 -7.911 1.00 24.24 H new ATOM 0 HG2 GLU A 72 18.773 -20.600 -10.100 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.034 -21.759 -9.729 1.00 50.22 H new ATOM 1064 N ILE A 73 15.162 -20.985 -7.853 1.00 61.12 N ATOM 1065 CA ILE A 73 13.924 -21.543 -7.324 1.00 75.21 C ATOM 1066 C ILE A 73 13.510 -22.791 -8.095 1.00 61.50 C ATOM 1067 O ILE A 73 13.466 -22.787 -9.326 1.00 61.15 O ATOM 1068 CB ILE A 73 12.777 -20.517 -7.376 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.227 -19.184 -6.774 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.555 -21.050 -6.641 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.156 -18.116 -6.802 1.00 64.32 C ATOM 0 H ILE A 73 15.063 -20.520 -8.755 1.00 61.12 H new ATOM 0 HA ILE A 73 14.116 -21.808 -6.284 1.00 75.21 H new ATOM 0 HB ILE A 73 12.506 -20.350 -8.419 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.539 -19.347 -5.742 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.101 -18.825 -7.318 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.753 -20.313 -6.687 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.224 -21.977 -7.110 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.812 -21.242 -5.599 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.545 -17.199 -6.360 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.860 -17.924 -7.833 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.290 -18.454 -6.233 1.00 64.32 H new ATOM 1083 N ASP A 74 13.205 -23.858 -7.364 1.00 20.43 N ATOM 1084 CA ASP A 74 12.791 -25.114 -7.979 1.00 51.21 C ATOM 1085 C ASP A 74 11.275 -25.268 -7.932 1.00 25.22 C ATOM 1086 O ASP A 74 10.734 -25.928 -7.044 1.00 75.54 O ATOM 1087 CB ASP A 74 13.459 -26.296 -7.274 1.00 1.22 C ATOM 1088 CG ASP A 74 13.640 -27.489 -8.191 1.00 72.00 C ATOM 1089 OD1 ASP A 74 13.728 -27.286 -9.421 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 13.696 -28.627 -7.680 1.00 5.22 O ATOM 0 H ASP A 74 13.237 -23.878 -6.345 1.00 20.43 H new ATOM 0 HA ASP A 74 13.104 -25.100 -9.023 1.00 51.21 H new ATOM 0 HB2 ASP A 74 14.431 -25.985 -6.891 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.857 -26.590 -6.414 1.00 1.22 H new ATOM 1095 N THR A 75 10.592 -24.654 -8.894 1.00 25.23 N ATOM 1096 CA THR A 75 9.138 -24.720 -8.961 1.00 73.01 C ATOM 1097 C THR A 75 8.670 -26.111 -9.373 1.00 65.31 C ATOM 1098 O THR A 75 7.545 -26.513 -9.075 1.00 53.44 O ATOM 1099 CB THR A 75 8.573 -23.685 -9.952 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.784 -24.130 -11.298 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.232 -22.329 -9.752 1.00 30.20 C ATOM 0 H THR A 75 11.024 -24.105 -9.638 1.00 25.23 H new ATOM 0 HA THR A 75 8.765 -24.495 -7.962 1.00 73.01 H new ATOM 0 HB THR A 75 7.504 -23.582 -9.767 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.999 -24.631 -11.604 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.817 -21.614 -10.463 1.00 30.20 H new ATOM 0 HG22 THR A 75 9.046 -21.980 -8.736 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.306 -22.419 -9.913 1.00 30.20 H new ATOM 1109 N LYS A 76 9.540 -26.843 -10.062 1.00 33.31 N ATOM 1110 CA LYS A 76 9.217 -28.190 -10.515 1.00 53.53 C ATOM 1111 C LYS A 76 8.746 -29.057 -9.351 1.00 52.22 C ATOM 1112 O LYS A 76 7.905 -29.939 -9.523 1.00 33.40 O ATOM 1113 CB LYS A 76 10.436 -28.832 -11.182 1.00 42.11 C ATOM 1114 CG LYS A 76 11.550 -29.177 -10.210 1.00 35.11 C ATOM 1115 CD LYS A 76 11.497 -30.638 -9.794 1.00 64.45 C ATOM 1116 CE LYS A 76 12.888 -31.196 -9.539 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.912 -32.683 -9.619 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.475 -26.525 -10.319 1.00 33.31 H new ATOM 0 HA LYS A 76 8.408 -28.118 -11.242 1.00 53.53 H new ATOM 0 HB2 LYS A 76 10.122 -29.739 -11.698 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.825 -28.152 -11.940 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.515 -28.964 -10.671 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.472 -28.543 -9.326 1.00 35.11 H new ATOM 0 HD2 LYS A 76 10.893 -30.739 -8.893 1.00 64.45 H new ATOM 0 HD3 LYS A 76 11.007 -31.222 -10.573 1.00 64.45 H new ATOM 0 HE2 LYS A 76 13.585 -30.782 -10.268 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.231 -30.880 -8.554 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.878 -33.025 -9.439 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.266 -33.079 -8.907 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 12.609 -32.985 -10.567 1.00 11.00 H new ATOM 1131 N SER A 77 9.294 -28.799 -8.168 1.00 50.35 N ATOM 1132 CA SER A 77 8.930 -29.558 -6.976 1.00 24.21 C ATOM 1133 C SER A 77 7.531 -29.183 -6.499 1.00 74.33 C ATOM 1134 O SER A 77 6.814 -30.008 -5.932 1.00 24.13 O ATOM 1135 CB SER A 77 9.947 -29.310 -5.859 1.00 2.11 C ATOM 1136 OG SER A 77 11.131 -30.058 -6.072 1.00 64.04 O ATOM 0 H SER A 77 9.991 -28.071 -8.009 1.00 50.35 H new ATOM 0 HA SER A 77 8.934 -30.617 -7.233 1.00 24.21 H new ATOM 0 HB2 SER A 77 10.188 -28.248 -5.811 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.510 -29.581 -4.898 1.00 2.11 H new ATOM 0 HG SER A 77 11.789 -29.502 -6.539 1.00 64.04 H new ATOM 1142 N TYR A 78 7.149 -27.932 -6.732 1.00 62.35 N ATOM 1143 CA TYR A 78 5.836 -27.446 -6.324 1.00 72.42 C ATOM 1144 C TYR A 78 4.779 -27.790 -7.368 1.00 51.41 C ATOM 1145 O TYR A 78 3.599 -27.936 -7.048 1.00 23.54 O ATOM 1146 CB TYR A 78 5.877 -25.932 -6.103 1.00 12.14 C ATOM 1147 CG TYR A 78 4.591 -25.369 -5.540 1.00 1.42 C ATOM 1148 CD1 TYR A 78 4.027 -25.894 -4.383 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.942 -24.310 -6.163 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.853 -25.382 -3.866 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.768 -23.791 -5.651 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.228 -24.331 -4.503 1.00 21.50 C ATOM 1153 OH TYR A 78 1.058 -23.818 -3.990 1.00 72.23 O ATOM 0 H TYR A 78 7.729 -27.237 -7.201 1.00 62.35 H new ATOM 0 HA TYR A 78 5.569 -27.937 -5.388 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.696 -25.694 -5.424 1.00 12.14 H new ATOM 0 HB3 TYR A 78 6.095 -25.440 -7.051 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.515 -26.716 -3.880 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.362 -23.885 -7.063 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.427 -25.803 -2.967 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.276 -22.967 -6.147 1.00 34.34 H new ATOM 0 HH TYR A 78 0.874 -22.948 -4.401 1.00 72.23 H new ATOM 1163 N TRP A 79 5.210 -27.921 -8.617 1.00 73.24 N ATOM 1164 CA TRP A 79 4.302 -28.250 -9.709 1.00 62.55 C ATOM 1165 C TRP A 79 3.983 -29.741 -9.722 1.00 11.32 C ATOM 1166 O TRP A 79 2.942 -30.160 -10.229 1.00 34.45 O ATOM 1167 CB TRP A 79 4.910 -27.834 -11.049 1.00 35.20 C ATOM 1168 CG TRP A 79 5.094 -26.352 -11.183 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.234 -25.699 -11.554 1.00 52.43 C ATOM 1170 CD2 TRP A 79 4.109 -25.341 -10.947 1.00 52.00 C ATOM 1171 NE1 TRP A 79 6.017 -24.341 -11.563 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.720 -24.097 -11.194 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.768 -25.367 -10.552 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 4.036 -22.892 -11.058 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 2.091 -24.170 -10.417 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.725 -22.947 -10.670 1.00 2.41 C ATOM 0 H TRP A 79 6.183 -27.804 -8.899 1.00 73.24 H new ATOM 0 HA TRP A 79 3.374 -27.701 -9.554 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.875 -28.325 -11.170 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.269 -28.188 -11.856 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.169 -26.178 -11.804 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.709 -23.631 -11.805 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.270 -26.305 -10.356 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.523 -21.948 -11.252 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 1.055 -24.178 -10.111 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.168 -22.029 -10.557 1.00 2.41 H new ATOM 1187 N LYS A 80 4.886 -30.539 -9.163 1.00 14.35 N ATOM 1188 CA LYS A 80 4.701 -31.985 -9.108 1.00 74.13 C ATOM 1189 C LYS A 80 3.761 -32.370 -7.971 1.00 72.35 C ATOM 1190 O LYS A 80 3.185 -33.458 -7.971 1.00 42.42 O ATOM 1191 CB LYS A 80 6.050 -32.686 -8.929 1.00 2.35 C ATOM 1192 CG LYS A 80 6.574 -32.642 -7.504 1.00 11.13 C ATOM 1193 CD LYS A 80 6.430 -33.989 -6.816 1.00 4.54 C ATOM 1194 CE LYS A 80 7.677 -34.843 -6.997 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.429 -36.267 -6.639 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.754 -30.209 -8.741 1.00 14.35 H new ATOM 0 HA LYS A 80 4.254 -32.305 -10.049 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.953 -33.726 -9.240 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.782 -32.222 -9.591 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.623 -32.346 -7.510 1.00 11.13 H new ATOM 0 HG3 LYS A 80 6.032 -31.884 -6.939 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.242 -33.838 -5.753 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.565 -34.515 -7.221 1.00 4.54 H new ATOM 0 HE2 LYS A 80 8.012 -34.782 -8.032 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.482 -34.447 -6.377 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.302 -36.816 -6.775 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.133 -36.328 -5.644 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.679 -36.652 -7.247 1.00 15.12 H new ATOM 1209 N ALA A 81 3.610 -31.472 -7.003 1.00 25.24 N ATOM 1210 CA ALA A 81 2.737 -31.717 -5.862 1.00 60.14 C ATOM 1211 C ALA A 81 1.279 -31.810 -6.296 1.00 25.04 C ATOM 1212 O ALA A 81 0.507 -32.601 -5.752 1.00 75.40 O ATOM 1213 CB ALA A 81 2.911 -30.623 -4.819 1.00 62.23 C ATOM 0 H ALA A 81 4.081 -30.568 -6.986 1.00 25.24 H new ATOM 0 HA ALA A 81 3.018 -32.673 -5.420 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.253 -30.819 -3.973 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.946 -30.607 -4.478 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.659 -29.658 -5.259 1.00 62.23 H new ATOM 1219 N LEU A 82 0.907 -30.997 -7.280 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.461 -30.987 -7.787 1.00 42.14 C ATOM 1221 C LEU A 82 -0.531 -31.614 -9.176 1.00 63.11 C ATOM 1222 O LEU A 82 -1.586 -32.079 -9.606 1.00 71.54 O ATOM 1223 CB LEU A 82 -0.997 -29.555 -7.834 1.00 1.31 C ATOM 1224 CG LEU A 82 0.050 -28.443 -7.780 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.913 -28.462 -9.033 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.618 -27.087 -7.611 1.00 52.23 C ATOM 0 H LEU A 82 1.533 -30.337 -7.742 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.078 -31.578 -7.110 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.577 -29.436 -8.749 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.685 -29.419 -7.000 1.00 1.31 H new ATOM 0 HG LEU A 82 0.693 -28.618 -6.917 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.653 -27.664 -8.977 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.421 -29.423 -9.110 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.284 -28.313 -9.910 1.00 30.23 H new ATOM 0 HD21 LEU A 82 0.144 -26.308 -7.575 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.285 -26.903 -8.453 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.192 -27.077 -6.684 1.00 52.23 H new ATOM 1238 N GLY A 83 0.602 -31.625 -9.873 1.00 74.15 N ATOM 1239 CA GLY A 83 0.647 -32.199 -11.205 1.00 24.44 C ATOM 1240 C GLY A 83 0.379 -31.173 -12.288 1.00 53.33 C ATOM 1241 O GLY A 83 -0.410 -31.417 -13.201 1.00 44.53 O ATOM 0 H GLY A 83 1.488 -31.247 -9.539 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.626 -32.650 -11.370 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.089 -33.000 -11.277 1.00 24.44 H new ATOM 1245 N ILE A 84 1.036 -30.023 -12.186 1.00 11.52 N ATOM 1246 CA ILE A 84 0.864 -28.956 -13.165 1.00 73.53 C ATOM 1247 C ILE A 84 1.842 -29.112 -14.325 1.00 73.31 C ATOM 1248 O ILE A 84 2.998 -29.486 -14.130 1.00 12.13 O ATOM 1249 CB ILE A 84 1.060 -27.568 -12.526 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.295 -26.923 -12.231 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.890 -26.678 -13.439 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.244 -27.828 -11.477 1.00 31.45 C ATOM 0 H ILE A 84 1.692 -29.806 -11.436 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.157 -29.033 -13.540 1.00 73.53 H new ATOM 0 HB ILE A 84 1.596 -27.689 -11.584 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.137 -26.013 -11.652 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.759 -26.626 -13.171 1.00 42.11 H new ATOM 0 HG21 ILE A 84 2.020 -25.701 -12.974 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.866 -27.135 -13.603 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.379 -26.560 -14.395 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.184 -27.305 -11.303 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.432 -28.727 -12.063 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.800 -28.105 -10.521 1.00 31.45 H new ATOM 1264 N SER A 85 1.370 -28.821 -15.533 1.00 52.21 N ATOM 1265 CA SER A 85 2.201 -28.930 -16.726 1.00 24.12 C ATOM 1266 C SER A 85 3.499 -28.148 -16.556 1.00 3.33 C ATOM 1267 O SER A 85 3.514 -26.917 -16.539 1.00 53.24 O ATOM 1268 CB SER A 85 1.441 -28.420 -17.951 1.00 54.52 C ATOM 1269 OG SER A 85 2.057 -28.854 -19.151 1.00 23.32 O ATOM 0 H SER A 85 0.416 -28.508 -15.711 1.00 52.21 H new ATOM 0 HA SER A 85 2.447 -29.982 -16.873 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.411 -28.776 -17.918 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.403 -27.331 -17.932 1.00 54.52 H new ATOM 0 HG SER A 85 1.551 -28.516 -19.919 1.00 23.32 H new ATOM 1275 N PRO A 86 4.617 -28.879 -16.429 1.00 42.12 N ATOM 1276 CA PRO A 86 5.942 -28.275 -16.259 1.00 71.24 C ATOM 1277 C PRO A 86 6.427 -27.574 -17.525 1.00 40.35 C ATOM 1278 O PRO A 86 7.018 -28.201 -18.404 1.00 12.43 O ATOM 1279 CB PRO A 86 6.838 -29.472 -15.934 1.00 45.12 C ATOM 1280 CG PRO A 86 6.145 -30.641 -16.545 1.00 24.31 C ATOM 1281 CD PRO A 86 4.673 -30.350 -16.442 1.00 65.12 C ATOM 0 HA PRO A 86 5.942 -27.503 -15.489 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.837 -29.343 -16.349 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.954 -29.599 -14.858 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.445 -30.773 -17.585 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.398 -31.563 -16.021 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.121 -30.766 -17.285 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.241 -30.777 -15.537 1.00 65.12 H new ATOM 1289 N MET A 87 6.173 -26.274 -17.609 1.00 43.33 N ATOM 1290 CA MET A 87 6.585 -25.488 -18.767 1.00 1.42 C ATOM 1291 C MET A 87 7.965 -24.877 -18.546 1.00 55.04 C ATOM 1292 O MET A 87 8.714 -24.650 -19.496 1.00 10.13 O ATOM 1293 CB MET A 87 5.565 -24.384 -19.050 1.00 20.04 C ATOM 1294 CG MET A 87 4.131 -24.885 -19.121 1.00 72.24 C ATOM 1295 SD MET A 87 3.095 -23.874 -20.195 1.00 22.31 S ATOM 1296 CE MET A 87 1.960 -25.106 -20.829 1.00 35.42 C ATOM 0 H MET A 87 5.684 -25.741 -16.890 1.00 43.33 H new ATOM 0 HA MET A 87 6.636 -26.155 -19.628 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.638 -23.625 -18.271 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.819 -23.899 -19.993 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.127 -25.913 -19.482 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.704 -24.898 -18.118 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.254 -24.633 -21.511 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.519 -25.876 -21.361 1.00 35.42 H new ATOM 0 HE3 MET A 87 1.416 -25.560 -20.001 1.00 35.42 H new ATOM 1306 N HIS A 88 8.295 -24.612 -17.285 1.00 0.52 N ATOM 1307 CA HIS A 88 9.586 -24.028 -16.940 1.00 51.21 C ATOM 1308 C HIS A 88 10.311 -24.884 -15.906 1.00 23.12 C ATOM 1309 O HIS A 88 9.740 -25.251 -14.880 1.00 50.35 O ATOM 1310 CB HIS A 88 9.399 -22.609 -16.402 1.00 24.12 C ATOM 1311 CG HIS A 88 9.203 -21.583 -17.476 1.00 62.11 C ATOM 1312 ND1 HIS A 88 9.991 -20.457 -17.595 1.00 74.54 N ATOM 1313 CD2 HIS A 88 8.302 -21.518 -18.484 1.00 20.22 C ATOM 1314 CE1 HIS A 88 9.583 -19.744 -18.628 1.00 21.10 C ATOM 1315 NE2 HIS A 88 8.559 -20.365 -19.186 1.00 3.14 N ATOM 0 H HIS A 88 7.687 -24.792 -16.487 1.00 0.52 H new ATOM 0 HA HIS A 88 10.193 -23.990 -17.844 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.538 -22.593 -15.734 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.270 -22.337 -15.806 1.00 24.12 H new ATOM 0 HD2 HIS A 88 7.526 -22.238 -18.697 1.00 20.22 H new ATOM 0 HE1 HIS A 88 10.013 -18.811 -18.961 1.00 21.10 H new ATOM 0 HE2 HIS A 88 8.043 -20.041 -20.004 1.00 3.14 H new ATOM 1323 N GLU A 89 11.572 -25.199 -16.186 1.00 53.32 N ATOM 1324 CA GLU A 89 12.374 -26.014 -15.280 1.00 13.34 C ATOM 1325 C GLU A 89 12.500 -25.346 -13.914 1.00 2.34 C ATOM 1326 O GLU A 89 11.959 -25.831 -12.921 1.00 33.31 O ATOM 1327 CB GLU A 89 13.763 -26.256 -15.873 1.00 13.54 C ATOM 1328 CG GLU A 89 13.748 -27.099 -17.138 1.00 22.51 C ATOM 1329 CD GLU A 89 13.496 -28.568 -16.858 1.00 44.10 C ATOM 1330 OE1 GLU A 89 12.409 -28.894 -16.337 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 14.387 -29.390 -17.157 1.00 63.34 O ATOM 0 H GLU A 89 12.060 -24.903 -17.031 1.00 53.32 H new ATOM 0 HA GLU A 89 11.870 -26.972 -15.150 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.227 -25.295 -16.093 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.387 -26.748 -15.126 1.00 13.54 H new ATOM 0 HG2 GLU A 89 12.977 -26.724 -17.811 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.702 -26.990 -17.654 1.00 22.51 H new ATOM 1338 N HIS A 90 13.220 -24.228 -13.874 1.00 12.33 N ATOM 1339 CA HIS A 90 13.419 -23.493 -12.630 1.00 64.04 C ATOM 1340 C HIS A 90 13.523 -21.994 -12.897 1.00 64.34 C ATOM 1341 O HIS A 90 13.647 -21.565 -14.043 1.00 61.10 O ATOM 1342 CB HIS A 90 14.678 -23.985 -11.916 1.00 14.33 C ATOM 1343 CG HIS A 90 15.870 -24.098 -12.816 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.589 -25.266 -12.969 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.468 -23.183 -13.613 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.578 -25.062 -13.822 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.526 -23.806 -14.227 1.00 64.31 N ATOM 0 H HIS A 90 13.674 -23.813 -14.687 1.00 12.33 H new ATOM 0 HA HIS A 90 12.556 -23.672 -11.989 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.913 -23.303 -11.099 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.476 -24.959 -11.470 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.169 -22.153 -13.742 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.305 -25.797 -14.135 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.168 -23.370 -14.889 1.00 64.31 H new ATOM 1355 N ALA A 91 13.473 -21.203 -11.829 1.00 30.43 N ATOM 1356 CA ALA A 91 13.564 -19.753 -11.948 1.00 4.31 C ATOM 1357 C ALA A 91 14.840 -19.228 -11.300 1.00 13.54 C ATOM 1358 O ALA A 91 15.040 -19.375 -10.095 1.00 55.12 O ATOM 1359 CB ALA A 91 12.343 -19.095 -11.323 1.00 53.12 C ATOM 0 H ALA A 91 13.370 -21.542 -10.873 1.00 30.43 H new ATOM 0 HA ALA A 91 13.596 -19.501 -13.008 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.424 -18.012 -11.419 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.443 -19.438 -11.834 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.286 -19.362 -10.268 1.00 53.12 H new ATOM 1365 N GLU A 92 15.701 -18.615 -12.107 1.00 71.53 N ATOM 1366 CA GLU A 92 16.958 -18.071 -11.611 1.00 22.11 C ATOM 1367 C GLU A 92 16.988 -16.551 -11.757 1.00 21.04 C ATOM 1368 O GLU A 92 16.649 -16.012 -12.811 1.00 35.42 O ATOM 1369 CB GLU A 92 18.140 -18.690 -12.360 1.00 20.12 C ATOM 1370 CG GLU A 92 18.020 -20.193 -12.548 1.00 3.34 C ATOM 1371 CD GLU A 92 19.369 -20.875 -12.665 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.323 -20.423 -11.999 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.470 -21.864 -13.422 1.00 1.44 O1- ATOM 0 H GLU A 92 15.550 -18.483 -13.107 1.00 71.53 H new ATOM 0 HA GLU A 92 17.039 -18.319 -10.553 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.229 -18.216 -13.337 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.059 -18.472 -11.815 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.474 -20.618 -11.706 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.434 -20.398 -13.444 1.00 3.34 H new ATOM 1380 N VAL A 93 17.397 -15.868 -10.693 1.00 13.33 N ATOM 1381 CA VAL A 93 17.472 -14.412 -10.703 1.00 70.50 C ATOM 1382 C VAL A 93 18.797 -13.927 -10.123 1.00 3.53 C ATOM 1383 O VAL A 93 19.289 -14.469 -9.134 1.00 12.13 O ATOM 1384 CB VAL A 93 16.315 -13.785 -9.905 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.328 -12.269 -10.045 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.982 -14.358 -10.362 1.00 45.53 C ATOM 0 H VAL A 93 17.681 -16.299 -9.813 1.00 13.33 H new ATOM 0 HA VAL A 93 17.397 -14.098 -11.744 1.00 70.50 H new ATOM 0 HB VAL A 93 16.449 -14.030 -8.851 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.503 -11.844 -9.474 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.272 -11.877 -9.666 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.219 -12.000 -11.096 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.175 -13.904 -9.788 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.838 -14.145 -11.421 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.977 -15.437 -10.205 1.00 45.53 H new ATOM 1396 N VAL A 94 19.368 -12.900 -10.744 1.00 2.22 N ATOM 1397 CA VAL A 94 20.634 -12.339 -10.289 1.00 2.02 C ATOM 1398 C VAL A 94 20.436 -10.956 -9.680 1.00 12.31 C ATOM 1399 O VAL A 94 19.832 -10.077 -10.295 1.00 50.11 O ATOM 1400 CB VAL A 94 21.651 -12.240 -11.441 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.948 -11.608 -10.957 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.911 -13.613 -12.043 1.00 30.43 C ATOM 0 H VAL A 94 18.973 -12.439 -11.564 1.00 2.22 H new ATOM 0 HA VAL A 94 21.023 -13.015 -9.528 1.00 2.02 H new ATOM 0 HB VAL A 94 21.231 -11.601 -12.218 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.654 -11.547 -11.785 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.745 -10.606 -10.578 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.375 -12.218 -10.161 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.632 -13.523 -12.856 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.309 -14.277 -11.276 1.00 30.43 H new ATOM 0 HG23 VAL A 94 20.978 -14.023 -12.429 1.00 30.43 H new ATOM 1412 N PHE A 95 20.949 -10.770 -8.468 1.00 1.21 N ATOM 1413 CA PHE A 95 20.828 -9.492 -7.776 1.00 71.43 C ATOM 1414 C PHE A 95 22.202 -8.886 -7.507 1.00 71.25 C ATOM 1415 O PHE A 95 22.982 -9.414 -6.714 1.00 40.21 O ATOM 1416 CB PHE A 95 20.072 -9.673 -6.457 1.00 71.11 C ATOM 1417 CG PHE A 95 18.777 -10.420 -6.607 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.761 -11.805 -6.644 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.575 -9.737 -6.709 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.571 -12.493 -6.782 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.382 -10.420 -6.847 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.381 -11.801 -6.883 1.00 23.11 C ATOM 0 H PHE A 95 21.452 -11.487 -7.945 1.00 1.21 H new ATOM 0 HA PHE A 95 20.270 -8.811 -8.418 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.710 -10.205 -5.752 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.869 -8.693 -6.026 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.689 -12.352 -6.564 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.571 -8.657 -6.680 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.572 -13.573 -6.811 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.453 -9.876 -6.927 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.450 -12.338 -6.990 1.00 23.11 H new ATOM 1432 N THR A 96 22.494 -7.775 -8.176 1.00 53.44 N ATOM 1433 CA THR A 96 23.774 -7.097 -8.012 1.00 53.12 C ATOM 1434 C THR A 96 23.708 -6.060 -6.896 1.00 30.54 C ATOM 1435 O THR A 96 22.766 -5.271 -6.823 1.00 64.13 O ATOM 1436 CB THR A 96 24.213 -6.404 -9.315 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.358 -7.373 -10.360 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.528 -5.665 -9.118 1.00 22.52 C ATOM 0 H THR A 96 21.861 -7.325 -8.837 1.00 53.44 H new ATOM 0 HA THR A 96 24.506 -7.862 -7.751 1.00 53.12 H new ATOM 0 HB THR A 96 23.446 -5.681 -9.593 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.636 -6.924 -11.186 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.818 -5.183 -10.052 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.408 -4.909 -8.342 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.302 -6.372 -8.819 1.00 22.52 H new ATOM 1446 N ALA A 97 24.715 -6.067 -6.028 1.00 62.01 N ATOM 1447 CA ALA A 97 24.773 -5.125 -4.918 1.00 43.35 C ATOM 1448 C ALA A 97 25.986 -4.210 -5.036 1.00 12.42 C ATOM 1449 O ALA A 97 26.965 -4.545 -5.702 1.00 52.21 O ATOM 1450 CB ALA A 97 24.800 -5.872 -3.592 1.00 10.43 C ATOM 0 H ALA A 97 25.501 -6.715 -6.073 1.00 62.01 H new ATOM 0 HA ALA A 97 23.878 -4.504 -4.955 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.843 -5.156 -2.772 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.899 -6.478 -3.497 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.677 -6.518 -3.556 1.00 10.43 H new ATOM 1456 N ASN A 98 25.916 -3.053 -4.386 1.00 22.42 N ATOM 1457 CA ASN A 98 27.010 -2.089 -4.420 1.00 70.24 C ATOM 1458 C ASN A 98 27.867 -2.194 -3.162 1.00 0.21 C ATOM 1459 O ASN A 98 29.096 -2.157 -3.230 1.00 44.32 O ATOM 1460 CB ASN A 98 26.461 -0.668 -4.559 1.00 53.32 C ATOM 1461 CG ASN A 98 25.864 -0.410 -5.930 1.00 65.42 C ATOM 1462 OD1 ASN A 98 25.014 -1.166 -6.400 1.00 61.01 O ATOM 1463 ND2 ASN A 98 26.308 0.661 -6.577 1.00 50.32 N ATOM 0 H ASN A 98 25.113 -2.760 -3.829 1.00 22.42 H new ATOM 0 HA ASN A 98 27.635 -2.316 -5.284 1.00 70.24 H new ATOM 0 HB2 ASN A 98 25.700 -0.499 -3.797 1.00 53.32 H new ATOM 0 HB3 ASN A 98 27.262 0.048 -4.374 1.00 53.32 H new ATOM 0 HD21 ASN A 98 25.943 0.885 -7.503 1.00 50.32 H new ATOM 0 HD22 ASN A 98 27.014 1.260 -6.148 1.00 50.32 H new ATOM 1470 N ASP A 99 27.210 -2.325 -2.015 1.00 15.12 N ATOM 1471 CA ASP A 99 27.911 -2.438 -0.741 1.00 4.24 C ATOM 1472 C ASP A 99 27.123 -3.302 0.238 1.00 73.21 C ATOM 1473 O ASP A 99 26.045 -3.802 -0.086 1.00 53.11 O ATOM 1474 CB ASP A 99 28.146 -1.051 -0.141 1.00 62.12 C ATOM 1475 CG ASP A 99 26.860 -0.265 0.024 1.00 13.14 C ATOM 1476 OD1 ASP A 99 26.035 -0.651 0.877 1.00 55.13 O ATOM 1477 OD2 ASP A 99 26.679 0.736 -0.700 1.00 52.50 O1- ATOM 0 H ASP A 99 26.193 -2.356 -1.941 1.00 15.12 H new ATOM 0 HA ASP A 99 28.874 -2.915 -0.924 1.00 4.24 H new ATOM 0 HB2 ASP A 99 28.631 -1.156 0.829 1.00 62.12 H new ATOM 0 HB3 ASP A 99 28.830 -0.493 -0.781 1.00 62.12 H new ATOM 1482 N SER A 100 27.668 -3.476 1.438 1.00 64.11 N ATOM 1483 CA SER A 100 27.019 -4.285 2.463 1.00 51.44 C ATOM 1484 C SER A 100 26.512 -3.410 3.605 1.00 2.13 C ATOM 1485 O SER A 100 26.592 -2.183 3.545 1.00 24.13 O ATOM 1486 CB SER A 100 27.990 -5.337 3.003 1.00 72.33 C ATOM 1487 OG SER A 100 28.392 -6.232 1.980 1.00 61.25 O ATOM 0 H SER A 100 28.558 -3.067 1.724 1.00 64.11 H new ATOM 0 HA SER A 100 26.166 -4.788 2.008 1.00 51.44 H new ATOM 0 HB2 SER A 100 28.866 -4.845 3.425 1.00 72.33 H new ATOM 0 HB3 SER A 100 27.516 -5.893 3.812 1.00 72.33 H new ATOM 0 HG SER A 100 29.013 -6.893 2.350 1.00 61.25 H new ATOM 1493 N GLY A 101 25.992 -4.051 4.648 1.00 42.21 N ATOM 1494 CA GLY A 101 25.480 -3.316 5.789 1.00 53.22 C ATOM 1495 C GLY A 101 24.121 -3.815 6.239 1.00 10.13 C ATOM 1496 O GLY A 101 23.557 -4.747 5.664 1.00 41.01 O ATOM 0 H GLY A 101 25.917 -5.065 4.722 1.00 42.21 H new ATOM 0 HA2 GLY A 101 26.185 -3.398 6.616 1.00 53.22 H new ATOM 0 HA3 GLY A 101 25.409 -2.259 5.534 1.00 53.22 H new ATOM 1500 N PRO A 102 23.574 -3.190 7.292 1.00 72.31 N ATOM 1501 CA PRO A 102 22.267 -3.561 7.842 1.00 62.41 C ATOM 1502 C PRO A 102 21.120 -3.196 6.906 1.00 55.41 C ATOM 1503 O PRO A 102 20.715 -2.037 6.827 1.00 30.03 O ATOM 1504 CB PRO A 102 22.182 -2.745 9.135 1.00 3.05 C ATOM 1505 CG PRO A 102 23.075 -1.575 8.904 1.00 21.03 C ATOM 1506 CD PRO A 102 24.190 -2.072 8.027 1.00 22.35 C ATOM 0 HA PRO A 102 22.179 -4.637 7.994 1.00 62.41 H new ATOM 0 HB2 PRO A 102 21.159 -2.428 9.337 1.00 3.05 H new ATOM 0 HB3 PRO A 102 22.510 -3.330 9.994 1.00 3.05 H new ATOM 0 HG2 PRO A 102 22.534 -0.760 8.423 1.00 21.03 H new ATOM 0 HG3 PRO A 102 23.463 -1.188 9.846 1.00 21.03 H new ATOM 0 HD2 PRO A 102 24.546 -1.295 7.351 1.00 22.35 H new ATOM 0 HD3 PRO A 102 25.047 -2.401 8.615 1.00 22.35 H new ATOM 1514 N ARG A 103 20.600 -4.195 6.198 1.00 52.42 N ATOM 1515 CA ARG A 103 19.499 -3.979 5.267 1.00 64.24 C ATOM 1516 C ARG A 103 18.389 -5.000 5.491 1.00 1.20 C ATOM 1517 O ARG A 103 18.645 -6.201 5.584 1.00 43.01 O ATOM 1518 CB ARG A 103 20.000 -4.063 3.824 1.00 21.14 C ATOM 1519 CG ARG A 103 18.994 -3.564 2.800 1.00 71.15 C ATOM 1520 CD ARG A 103 19.484 -3.796 1.379 1.00 40.02 C ATOM 1521 NE ARG A 103 19.471 -5.212 1.020 1.00 23.44 N ATOM 1522 CZ ARG A 103 20.135 -5.713 -0.016 1.00 72.30 C ATOM 1523 NH1 ARG A 103 20.863 -4.919 -0.789 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 20.073 -7.012 -0.279 1.00 23.55 N ATOM 0 H ARG A 103 20.924 -5.161 6.252 1.00 52.42 H new ATOM 0 HA ARG A 103 19.094 -2.983 5.447 1.00 64.24 H new ATOM 0 HB2 ARG A 103 20.918 -3.482 3.733 1.00 21.14 H new ATOM 0 HB3 ARG A 103 20.254 -5.098 3.596 1.00 21.14 H new ATOM 0 HG2 ARG A 103 18.042 -4.074 2.945 1.00 71.15 H new ATOM 0 HG3 ARG A 103 18.813 -2.500 2.955 1.00 71.15 H new ATOM 0 HD2 ARG A 103 18.855 -3.240 0.683 1.00 40.02 H new ATOM 0 HD3 ARG A 103 20.496 -3.405 1.276 1.00 40.02 H new ATOM 0 HE ARG A 103 18.922 -5.851 1.596 1.00 23.44 H new ATOM 0 HH11 ARG A 103 20.915 -3.920 -0.589 1.00 12.31 H new ATOM 0 HH12 ARG A 103 21.371 -5.307 -1.584 1.00 12.31 H new ATOM 0 HH21 ARG A 103 19.515 -7.626 0.314 1.00 23.55 H new ATOM 0 HH22 ARG A 103 20.583 -7.396 -1.074 1.00 23.55 H new ATOM 1538 N ARG A 104 17.154 -4.515 5.579 1.00 42.23 N ATOM 1539 CA ARG A 104 16.005 -5.385 5.794 1.00 3.34 C ATOM 1540 C ARG A 104 14.968 -5.201 4.690 1.00 11.24 C ATOM 1541 O ARG A 104 14.233 -4.213 4.673 1.00 3.33 O ATOM 1542 CB ARG A 104 15.369 -5.099 7.157 1.00 1.21 C ATOM 1543 CG ARG A 104 14.075 -5.857 7.397 1.00 52.32 C ATOM 1544 CD ARG A 104 13.416 -5.436 8.701 1.00 23.35 C ATOM 1545 NE ARG A 104 11.961 -5.539 8.637 1.00 23.43 N ATOM 1546 CZ ARG A 104 11.142 -4.896 9.462 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.633 -4.107 10.408 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 9.828 -5.041 9.340 1.00 61.40 N ATOM 0 H ARG A 104 16.924 -3.524 5.505 1.00 42.23 H new ATOM 0 HA ARG A 104 16.355 -6.417 5.772 1.00 3.34 H new ATOM 0 HB2 ARG A 104 16.081 -5.355 7.941 1.00 1.21 H new ATOM 0 HB3 ARG A 104 15.174 -4.030 7.240 1.00 1.21 H new ATOM 0 HG2 ARG A 104 13.390 -5.680 6.568 1.00 52.32 H new ATOM 0 HG3 ARG A 104 14.278 -6.928 7.420 1.00 52.32 H new ATOM 0 HD2 ARG A 104 13.788 -6.060 9.513 1.00 23.35 H new ATOM 0 HD3 ARG A 104 13.697 -4.409 8.934 1.00 23.35 H new ATOM 0 HE ARG A 104 11.551 -6.137 7.920 1.00 23.43 H new ATOM 0 HH11 ARG A 104 12.642 -3.992 10.504 1.00 21.23 H new ATOM 0 HH12 ARG A 104 11.002 -3.615 11.040 1.00 21.23 H new ATOM 0 HH21 ARG A 104 9.447 -5.646 8.613 1.00 61.40 H new ATOM 0 HH22 ARG A 104 9.199 -4.547 9.974 1.00 61.40 H new ATOM 1562 N TYR A 105 14.916 -6.157 3.769 1.00 64.52 N ATOM 1563 CA TYR A 105 13.972 -6.099 2.659 1.00 43.23 C ATOM 1564 C TYR A 105 13.516 -7.498 2.259 1.00 12.34 C ATOM 1565 O TYR A 105 14.172 -8.493 2.572 1.00 73.32 O ATOM 1566 CB TYR A 105 14.607 -5.394 1.459 1.00 4.01 C ATOM 1567 CG TYR A 105 14.777 -3.903 1.654 1.00 12.10 C ATOM 1568 CD1 TYR A 105 13.690 -3.095 1.963 1.00 71.31 C ATOM 1569 CD2 TYR A 105 16.024 -3.304 1.527 1.00 32.04 C ATOM 1570 CE1 TYR A 105 13.840 -1.733 2.140 1.00 24.24 C ATOM 1571 CE2 TYR A 105 16.184 -1.944 1.703 1.00 72.42 C ATOM 1572 CZ TYR A 105 15.089 -1.162 2.010 1.00 22.41 C ATOM 1573 OH TYR A 105 15.244 0.194 2.185 1.00 41.31 O ATOM 0 H TYR A 105 15.517 -6.981 3.769 1.00 64.52 H new ATOM 0 HA TYR A 105 13.100 -5.532 2.985 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.582 -5.840 1.260 1.00 4.01 H new ATOM 0 HB3 TYR A 105 13.991 -5.569 0.577 1.00 4.01 H new ATOM 0 HD1 TYR A 105 12.711 -3.539 2.067 1.00 71.31 H new ATOM 0 HD2 TYR A 105 16.883 -3.913 1.286 1.00 32.04 H new ATOM 0 HE1 TYR A 105 12.984 -1.119 2.379 1.00 24.24 H new ATOM 0 HE2 TYR A 105 17.161 -1.495 1.601 1.00 72.42 H new ATOM 0 HH TYR A 105 14.574 0.520 2.822 1.00 41.31 H new ATOM 1583 N THR A 106 12.387 -7.568 1.561 1.00 61.33 N ATOM 1584 CA THR A 106 11.841 -8.844 1.116 1.00 12.11 C ATOM 1585 C THR A 106 11.636 -8.858 -0.395 1.00 32.31 C ATOM 1586 O THR A 106 11.249 -7.850 -0.987 1.00 11.53 O ATOM 1587 CB THR A 106 10.500 -9.153 1.808 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.685 -9.226 3.226 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.919 -10.464 1.300 1.00 20.22 C ATOM 0 H THR A 106 11.833 -6.755 1.292 1.00 61.33 H new ATOM 0 HA THR A 106 12.567 -9.610 1.388 1.00 12.11 H new ATOM 0 HB THR A 106 9.802 -8.349 1.574 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.258 -10.038 3.570 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.972 -10.661 1.803 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.752 -10.396 0.225 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.616 -11.276 1.508 1.00 20.22 H new ATOM 1597 N ILE A 107 11.896 -10.005 -1.011 1.00 71.42 N ATOM 1598 CA ILE A 107 11.738 -10.150 -2.453 1.00 74.04 C ATOM 1599 C ILE A 107 10.463 -10.917 -2.793 1.00 33.14 C ATOM 1600 O ILE A 107 10.336 -12.099 -2.478 1.00 43.14 O ATOM 1601 CB ILE A 107 12.942 -10.876 -3.082 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.249 -10.203 -2.656 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.819 -10.891 -4.599 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.334 -8.744 -3.048 1.00 2.32 C ATOM 0 H ILE A 107 12.217 -10.848 -0.535 1.00 71.42 H new ATOM 0 HA ILE A 107 11.675 -9.143 -2.865 1.00 74.04 H new ATOM 0 HB ILE A 107 12.952 -11.907 -2.727 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.356 -10.287 -1.574 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.087 -10.740 -3.101 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.677 -11.407 -5.029 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.904 -11.409 -4.885 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.788 -9.867 -4.972 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.286 -8.332 -2.714 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.259 -8.653 -4.132 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.517 -8.194 -2.581 1.00 2.32 H new ATOM 1616 N ALA A 108 9.524 -10.233 -3.438 1.00 44.40 N ATOM 1617 CA ALA A 108 8.261 -10.851 -3.824 1.00 61.41 C ATOM 1618 C ALA A 108 8.323 -11.379 -5.253 1.00 62.14 C ATOM 1619 O ALA A 108 8.546 -10.622 -6.197 1.00 70.45 O ATOM 1620 CB ALA A 108 7.120 -9.855 -3.676 1.00 74.04 C ATOM 0 H ALA A 108 9.613 -9.252 -3.704 1.00 44.40 H new ATOM 0 HA ALA A 108 8.080 -11.696 -3.160 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.183 -10.329 -3.967 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.054 -9.529 -2.638 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.305 -8.992 -4.316 1.00 74.04 H new ATOM 1626 N ALA A 109 8.124 -12.685 -5.406 1.00 63.14 N ATOM 1627 CA ALA A 109 8.155 -13.314 -6.720 1.00 74.21 C ATOM 1628 C ALA A 109 6.925 -14.188 -6.940 1.00 35.54 C ATOM 1629 O ALA A 109 6.451 -14.852 -6.019 1.00 62.10 O ATOM 1630 CB ALA A 109 9.424 -14.137 -6.880 1.00 25.13 C ATOM 0 H ALA A 109 7.940 -13.327 -4.635 1.00 63.14 H new ATOM 0 HA ALA A 109 8.148 -12.526 -7.473 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.435 -14.602 -7.866 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.294 -13.489 -6.775 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.454 -14.912 -6.114 1.00 25.13 H new ATOM 1636 N MET A 110 6.411 -14.181 -8.166 1.00 70.32 N ATOM 1637 CA MET A 110 5.235 -14.973 -8.506 1.00 45.12 C ATOM 1638 C MET A 110 5.592 -16.077 -9.496 1.00 15.33 C ATOM 1639 O MET A 110 6.473 -15.908 -10.340 1.00 41.41 O ATOM 1640 CB MET A 110 4.143 -14.077 -9.094 1.00 74.03 C ATOM 1641 CG MET A 110 3.320 -13.352 -8.043 1.00 13.10 C ATOM 1642 SD MET A 110 1.588 -13.175 -8.516 1.00 31.04 S ATOM 1643 CE MET A 110 0.780 -14.042 -7.173 1.00 0.14 C ATOM 0 H MET A 110 6.791 -13.636 -8.940 1.00 70.32 H new ATOM 0 HA MET A 110 4.862 -15.435 -7.592 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.604 -13.342 -9.753 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.478 -14.684 -9.709 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.381 -13.896 -7.100 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.748 -12.365 -7.870 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.254 -14.254 -7.446 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.303 -14.978 -6.978 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.799 -13.422 -6.276 1.00 0.14 H new ATOM 1653 N LEU A 111 4.903 -17.208 -9.387 1.00 31.10 N ATOM 1654 CA LEU A 111 5.148 -18.341 -10.272 1.00 3.04 C ATOM 1655 C LEU A 111 4.018 -18.493 -11.287 1.00 63.32 C ATOM 1656 O LEU A 111 2.863 -18.701 -10.916 1.00 10.01 O ATOM 1657 CB LEU A 111 5.295 -19.627 -9.459 1.00 34.42 C ATOM 1658 CG LEU A 111 6.726 -20.070 -9.154 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.564 -18.886 -8.695 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.733 -21.169 -8.103 1.00 11.55 C ATOM 0 H LEU A 111 4.171 -17.364 -8.695 1.00 31.10 H new ATOM 0 HA LEU A 111 6.075 -18.154 -10.813 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.767 -19.498 -8.514 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.794 -20.432 -9.997 1.00 34.42 H new ATOM 0 HG LEU A 111 7.165 -20.468 -10.069 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.580 -19.220 -8.482 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.587 -18.131 -9.480 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.126 -18.458 -7.793 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.760 -21.471 -7.899 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.275 -20.798 -7.186 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.169 -22.026 -8.469 1.00 11.55 H new ATOM 1672 N SER A 112 4.362 -18.391 -12.567 1.00 73.51 N ATOM 1673 CA SER A 112 3.376 -18.516 -13.635 1.00 51.32 C ATOM 1674 C SER A 112 4.008 -19.103 -14.892 1.00 24.21 C ATOM 1675 O SER A 112 4.578 -18.394 -15.721 1.00 14.52 O ATOM 1676 CB SER A 112 2.759 -17.151 -13.951 1.00 2.41 C ATOM 1677 OG SER A 112 1.437 -17.290 -14.438 1.00 5.42 O ATOM 0 H SER A 112 5.315 -18.222 -12.890 1.00 73.51 H new ATOM 0 HA SER A 112 2.592 -19.192 -13.294 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.756 -16.533 -13.053 1.00 2.41 H new ATOM 0 HB3 SER A 112 3.370 -16.635 -14.691 1.00 2.41 H new ATOM 0 HG SER A 112 1.236 -16.554 -15.053 1.00 5.42 H new ATOM 1683 N PRO A 113 3.907 -20.433 -15.038 1.00 54.43 N ATOM 1684 CA PRO A 113 4.464 -21.148 -16.191 1.00 23.13 C ATOM 1685 C PRO A 113 3.703 -20.850 -17.479 1.00 42.52 C ATOM 1686 O PRO A 113 4.262 -20.926 -18.572 1.00 32.13 O ATOM 1687 CB PRO A 113 4.307 -22.620 -15.805 1.00 11.42 C ATOM 1688 CG PRO A 113 3.170 -22.640 -14.841 1.00 14.31 C ATOM 1689 CD PRO A 113 3.243 -21.341 -14.088 1.00 11.21 C ATOM 0 HA PRO A 113 5.494 -20.855 -16.395 1.00 23.13 H new ATOM 0 HB2 PRO A 113 4.097 -23.238 -16.678 1.00 11.42 H new ATOM 0 HB3 PRO A 113 5.218 -23.009 -15.351 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.218 -22.736 -15.363 1.00 14.31 H new ATOM 0 HG3 PRO A 113 3.249 -23.489 -14.162 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.252 -20.980 -13.813 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.813 -21.443 -13.165 1.00 11.21 H new ATOM 1697 N TYR A 114 2.426 -20.511 -17.340 1.00 23.21 N ATOM 1698 CA TYR A 114 1.587 -20.204 -18.494 1.00 4.41 C ATOM 1699 C TYR A 114 1.821 -18.774 -18.972 1.00 5.12 C ATOM 1700 O TYR A 114 2.349 -18.550 -20.060 1.00 62.34 O ATOM 1701 CB TYR A 114 0.112 -20.402 -18.145 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.164 -21.680 -17.385 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.445 -22.864 -18.055 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.143 -21.703 -15.996 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.699 -24.033 -17.365 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.395 -22.867 -15.296 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.671 -24.030 -15.986 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.923 -25.193 -15.294 1.00 44.10 O ATOM 0 H TYR A 114 1.949 -20.442 -16.441 1.00 23.21 H new ATOM 0 HA TYR A 114 1.857 -20.886 -19.300 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.229 -19.555 -17.550 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.473 -20.402 -19.064 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.465 -22.870 -19.135 1.00 54.30 H new ATOM 0 HD2 TYR A 114 0.074 -20.795 -15.454 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.918 -24.944 -17.902 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.376 -22.867 -14.216 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.636 -25.961 -15.830 1.00 44.10 H new ATOM 1718 N SER A 115 1.424 -17.810 -18.148 1.00 54.30 N ATOM 1719 CA SER A 115 1.586 -16.401 -18.486 1.00 50.32 C ATOM 1720 C SER A 115 2.958 -15.891 -18.050 1.00 24.11 C ATOM 1721 O SER A 115 3.750 -16.631 -17.467 1.00 43.12 O ATOM 1722 CB SER A 115 0.487 -15.566 -17.826 1.00 73.32 C ATOM 1723 OG SER A 115 0.613 -15.580 -16.414 1.00 23.24 O ATOM 0 H SER A 115 0.988 -17.979 -17.242 1.00 54.30 H new ATOM 0 HA SER A 115 1.507 -16.302 -19.569 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.539 -14.539 -18.189 1.00 73.32 H new ATOM 0 HB3 SER A 115 -0.490 -15.956 -18.111 1.00 73.32 H new ATOM 0 HG SER A 115 -0.100 -15.038 -16.017 1.00 23.24 H new ATOM 1729 N TYR A 116 3.229 -14.623 -18.337 1.00 51.11 N ATOM 1730 CA TYR A 116 4.504 -14.015 -17.977 1.00 44.22 C ATOM 1731 C TYR A 116 4.739 -14.091 -16.472 1.00 31.31 C ATOM 1732 O TYR A 116 3.797 -14.035 -15.681 1.00 23.43 O ATOM 1733 CB TYR A 116 4.545 -12.556 -18.437 1.00 65.40 C ATOM 1734 CG TYR A 116 3.403 -11.721 -17.904 1.00 71.35 C ATOM 1735 CD1 TYR A 116 3.494 -11.096 -16.666 1.00 61.42 C ATOM 1736 CD2 TYR A 116 2.235 -11.557 -18.636 1.00 11.14 C ATOM 1737 CE1 TYR A 116 2.453 -10.332 -16.174 1.00 43.15 C ATOM 1738 CE2 TYR A 116 1.189 -10.794 -18.153 1.00 2.33 C ATOM 1739 CZ TYR A 116 1.304 -10.184 -16.921 1.00 73.22 C ATOM 1740 OH TYR A 116 0.264 -9.423 -16.435 1.00 0.32 O ATOM 0 H TYR A 116 2.583 -13.997 -18.818 1.00 51.11 H new ATOM 0 HA TYR A 116 5.296 -14.571 -18.479 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.488 -12.110 -18.121 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.528 -12.527 -19.526 1.00 65.40 H new ATOM 0 HD1 TYR A 116 4.393 -11.209 -16.079 1.00 61.42 H new ATOM 0 HD2 TYR A 116 2.142 -12.034 -19.600 1.00 11.14 H new ATOM 0 HE1 TYR A 116 2.539 -9.854 -15.210 1.00 43.15 H new ATOM 0 HE2 TYR A 116 0.288 -10.676 -18.736 1.00 2.33 H new ATOM 0 HH TYR A 116 -0.470 -9.420 -17.084 1.00 0.32 H new ATOM 1750 N SER A 117 6.004 -14.219 -16.083 1.00 62.40 N ATOM 1751 CA SER A 117 6.364 -14.306 -14.672 1.00 41.11 C ATOM 1752 C SER A 117 6.422 -12.919 -14.039 1.00 1.43 C ATOM 1753 O SER A 117 6.105 -11.917 -14.681 1.00 74.14 O ATOM 1754 CB SER A 117 7.714 -15.009 -14.512 1.00 43.31 C ATOM 1755 OG SER A 117 7.873 -16.035 -15.477 1.00 60.44 O ATOM 0 H SER A 117 6.796 -14.265 -16.724 1.00 62.40 H new ATOM 0 HA SER A 117 5.596 -14.887 -14.161 1.00 41.11 H new ATOM 0 HB2 SER A 117 8.520 -14.282 -14.613 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.790 -15.432 -13.511 1.00 43.31 H new ATOM 0 HG SER A 117 8.744 -16.467 -15.354 1.00 60.44 H new ATOM 1761 N THR A 118 6.829 -12.869 -12.774 1.00 44.23 N ATOM 1762 CA THR A 118 6.927 -11.607 -12.052 1.00 62.12 C ATOM 1763 C THR A 118 7.956 -11.694 -10.931 1.00 51.22 C ATOM 1764 O THR A 118 7.974 -12.659 -10.167 1.00 52.03 O ATOM 1765 CB THR A 118 5.569 -11.193 -11.458 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.504 -11.776 -12.215 1.00 53.34 O ATOM 1767 CG2 THR A 118 5.421 -9.678 -11.449 1.00 30.23 C ATOM 0 H THR A 118 7.096 -13.689 -12.229 1.00 44.23 H new ATOM 0 HA THR A 118 7.243 -10.853 -12.773 1.00 62.12 H new ATOM 0 HB THR A 118 5.523 -11.553 -10.430 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.644 -11.509 -11.829 1.00 53.34 H new ATOM 0 HG21 THR A 118 4.453 -9.409 -11.025 1.00 30.23 H new ATOM 0 HG22 THR A 118 6.216 -9.238 -10.847 1.00 30.23 H new ATOM 0 HG23 THR A 118 5.487 -9.300 -12.469 1.00 30.23 H new ATOM 1775 N MET A 119 8.809 -10.680 -10.836 1.00 51.10 N ATOM 1776 CA MET A 119 9.840 -10.642 -9.805 1.00 43.42 C ATOM 1777 C MET A 119 10.110 -9.209 -9.359 1.00 2.14 C ATOM 1778 O MET A 119 10.565 -8.379 -10.146 1.00 61.44 O ATOM 1779 CB MET A 119 11.131 -11.281 -10.320 1.00 20.41 C ATOM 1780 CG MET A 119 12.307 -11.129 -9.368 1.00 61.24 C ATOM 1781 SD MET A 119 12.023 -11.938 -7.782 1.00 43.35 S ATOM 1782 CE MET A 119 13.050 -13.396 -7.959 1.00 1.53 C ATOM 0 H MET A 119 8.807 -9.873 -11.460 1.00 51.10 H new ATOM 0 HA MET A 119 9.481 -11.209 -8.946 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.955 -12.341 -10.500 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.391 -10.833 -11.279 1.00 20.41 H new ATOM 0 HG2 MET A 119 13.201 -11.548 -9.831 1.00 61.24 H new ATOM 0 HG3 MET A 119 12.501 -10.069 -9.202 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.066 -13.946 -7.018 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.645 -14.033 -8.745 1.00 1.53 H new ATOM 0 HE3 MET A 119 14.065 -13.097 -8.221 1.00 1.53 H new ATOM 1792 N ALA A 120 9.827 -8.925 -8.092 1.00 51.45 N ATOM 1793 CA ALA A 120 10.041 -7.593 -7.541 1.00 71.34 C ATOM 1794 C ALA A 120 11.296 -7.551 -6.676 1.00 72.32 C ATOM 1795 O ALA A 120 11.482 -8.390 -5.793 1.00 32.22 O ATOM 1796 CB ALA A 120 8.827 -7.152 -6.736 1.00 12.35 C ATOM 0 H ALA A 120 9.449 -9.600 -7.428 1.00 51.45 H new ATOM 0 HA ALA A 120 10.182 -6.902 -8.372 1.00 71.34 H new ATOM 0 HB1 ALA A 120 9.002 -6.155 -6.331 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.949 -7.132 -7.382 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.659 -7.852 -5.918 1.00 12.35 H new ATOM 1802 N VAL A 121 12.155 -6.572 -6.934 1.00 53.02 N ATOM 1803 CA VAL A 121 13.393 -6.421 -6.178 1.00 21.22 C ATOM 1804 C VAL A 121 13.416 -5.100 -5.417 1.00 45.24 C ATOM 1805 O VAL A 121 12.875 -4.096 -5.880 1.00 55.42 O ATOM 1806 CB VAL A 121 14.626 -6.491 -7.098 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.905 -6.529 -6.277 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.537 -7.701 -8.016 1.00 33.42 C ATOM 0 H VAL A 121 12.017 -5.870 -7.661 1.00 53.02 H new ATOM 0 HA VAL A 121 13.431 -7.247 -5.468 1.00 21.22 H new ATOM 0 HB VAL A 121 14.647 -5.594 -7.716 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.765 -6.578 -6.945 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.972 -5.629 -5.666 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.897 -7.407 -5.631 1.00 73.31 H new ATOM 0 HG21 VAL A 121 15.416 -7.735 -8.659 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.491 -8.610 -7.416 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.640 -7.626 -8.631 1.00 33.42 H new ATOM 1818 N VAL A 122 14.044 -5.108 -4.245 1.00 24.04 N ATOM 1819 CA VAL A 122 14.139 -3.910 -3.420 1.00 52.24 C ATOM 1820 C VAL A 122 15.589 -3.467 -3.259 1.00 2.02 C ATOM 1821 O VAL A 122 16.479 -4.286 -3.027 1.00 64.54 O ATOM 1822 CB VAL A 122 13.526 -4.140 -2.026 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.519 -2.846 -1.226 1.00 71.54 C ATOM 1824 CG2 VAL A 122 12.119 -4.706 -2.150 1.00 53.13 C ATOM 0 H VAL A 122 14.495 -5.931 -3.846 1.00 24.04 H new ATOM 0 HA VAL A 122 13.578 -3.128 -3.931 1.00 52.24 H new ATOM 0 HB VAL A 122 14.140 -4.866 -1.493 1.00 41.24 H new ATOM 0 HG11 VAL A 122 13.082 -3.028 -0.244 1.00 71.54 H new ATOM 0 HG12 VAL A 122 14.541 -2.486 -1.108 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.929 -2.096 -1.752 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.701 -4.862 -1.156 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.492 -4.005 -2.701 1.00 53.13 H new ATOM 0 HG23 VAL A 122 12.155 -5.657 -2.682 1.00 53.13 H new ATOM 1834 N THR A 123 15.821 -2.164 -3.382 1.00 65.41 N ATOM 1835 CA THR A 123 17.162 -1.610 -3.250 1.00 45.23 C ATOM 1836 C THR A 123 17.239 -0.622 -2.092 1.00 73.22 C ATOM 1837 O THR A 123 16.278 0.093 -1.810 1.00 50.41 O ATOM 1838 CB THR A 123 17.608 -0.903 -4.544 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.735 0.195 -4.827 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.610 -1.872 -5.717 1.00 1.51 C ATOM 0 H THR A 123 15.096 -1.472 -3.573 1.00 65.41 H new ATOM 0 HA THR A 123 17.831 -2.448 -3.053 1.00 45.23 H new ATOM 0 HB THR A 123 18.623 -0.532 -4.399 1.00 11.34 H new ATOM 0 HG1 THR A 123 17.026 0.641 -5.650 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.928 -1.350 -6.619 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.298 -2.692 -5.510 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.605 -2.269 -5.863 1.00 1.51 H new ATOM 1848 N ASN A 124 18.387 -0.587 -1.424 1.00 2.14 N ATOM 1849 CA ASN A 124 18.589 0.315 -0.296 1.00 14.35 C ATOM 1850 C ASN A 124 18.223 1.748 -0.673 1.00 21.24 C ATOM 1851 O ASN A 124 18.196 2.120 -1.846 1.00 34.35 O ATOM 1852 CB ASN A 124 20.042 0.256 0.178 1.00 43.11 C ATOM 1853 CG ASN A 124 21.023 0.154 -0.974 1.00 33.41 C ATOM 1854 OD1 ASN A 124 20.987 0.955 -1.908 1.00 65.11 O ATOM 1855 ND2 ASN A 124 21.905 -0.837 -0.914 1.00 53.22 N ATOM 0 H ASN A 124 19.192 -1.173 -1.644 1.00 2.14 H new ATOM 0 HA ASN A 124 17.936 -0.007 0.515 1.00 14.35 H new ATOM 0 HB2 ASN A 124 20.266 1.147 0.765 1.00 43.11 H new ATOM 0 HB3 ASN A 124 20.171 -0.601 0.838 1.00 43.11 H new ATOM 0 HD21 ASN A 124 22.589 -0.957 -1.661 1.00 53.22 H new ATOM 0 HD22 ASN A 124 21.899 -1.478 -0.121 1.00 53.22 H new ATOM 1862 N PRO A 125 17.934 2.572 0.345 1.00 1.24 N ATOM 1863 CA PRO A 125 17.567 3.977 0.146 1.00 4.12 C ATOM 1864 C PRO A 125 18.742 4.821 -0.333 1.00 22.32 C ATOM 1865 O PRO A 125 19.543 5.301 0.468 1.00 40.34 O ATOM 1866 CB PRO A 125 17.118 4.427 1.539 1.00 23.43 C ATOM 1867 CG PRO A 125 17.831 3.516 2.479 1.00 21.31 C ATOM 1868 CD PRO A 125 17.946 2.196 1.769 1.00 10.43 C ATOM 0 HA PRO A 125 16.802 4.093 -0.622 1.00 4.12 H new ATOM 0 HB2 PRO A 125 17.380 5.469 1.722 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.037 4.346 1.652 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.815 3.910 2.733 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.280 3.410 3.413 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.864 1.673 2.039 1.00 10.43 H new ATOM 0 HD3 PRO A 125 17.117 1.533 2.017 1.00 10.43 H new ATOM 1876 N LYS A 126 18.838 5.001 -1.647 1.00 1.50 N ATOM 1877 CA LYS A 126 19.914 5.790 -2.235 1.00 65.42 C ATOM 1878 C LYS A 126 20.004 7.163 -1.578 1.00 33.33 C ATOM 1879 O LYS A 126 21.078 7.758 -1.508 1.00 12.21 O ATOM 1880 CB LYS A 126 19.695 5.946 -3.741 1.00 4.33 C ATOM 1881 CG LYS A 126 18.598 6.933 -4.098 1.00 21.32 C ATOM 1882 CD LYS A 126 17.221 6.377 -3.775 1.00 73.25 C ATOM 1883 CE LYS A 126 16.139 7.049 -4.607 1.00 21.43 C ATOM 1884 NZ LYS A 126 16.304 6.769 -6.060 1.00 72.12 N1+ ATOM 0 H LYS A 126 18.183 4.611 -2.325 1.00 1.50 H new ATOM 0 HA LYS A 126 20.853 5.263 -2.063 1.00 65.42 H new ATOM 0 HB2 LYS A 126 20.628 6.270 -4.203 1.00 4.33 H new ATOM 0 HB3 LYS A 126 19.449 4.973 -4.166 1.00 4.33 H new ATOM 0 HG2 LYS A 126 18.753 7.864 -3.552 1.00 21.32 H new ATOM 0 HG3 LYS A 126 18.655 7.173 -5.160 1.00 21.32 H new ATOM 0 HD2 LYS A 126 17.209 5.303 -3.960 1.00 73.25 H new ATOM 0 HD3 LYS A 126 17.009 6.521 -2.716 1.00 73.25 H new ATOM 0 HE2 LYS A 126 15.160 6.701 -4.279 1.00 21.43 H new ATOM 0 HE3 LYS A 126 16.167 8.126 -4.439 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 15.384 6.857 -6.537 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 16.973 7.451 -6.471 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 16.670 5.804 -6.188 1.00 72.12 H new ATOM 1898 N GLU A 127 18.868 7.659 -1.098 1.00 63.52 N ATOM 1899 CA GLU A 127 18.819 8.964 -0.447 1.00 4.22 C ATOM 1900 C GLU A 127 19.857 9.053 0.669 1.00 54.22 C ATOM 1901 O GLU A 127 20.034 8.112 1.442 1.00 33.32 O ATOM 1902 CB GLU A 127 17.422 9.224 0.120 1.00 12.12 C ATOM 1903 CG GLU A 127 16.378 9.516 -0.945 1.00 23.42 C ATOM 1904 CD GLU A 127 16.638 10.820 -1.674 1.00 72.31 C ATOM 1905 OE1 GLU A 127 16.211 11.878 -1.166 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 17.267 10.783 -2.752 1.00 54.12 O ATOM 0 H GLU A 127 17.970 7.178 -1.147 1.00 63.52 H new ATOM 0 HA GLU A 127 19.047 9.724 -1.195 1.00 4.22 H new ATOM 0 HB2 GLU A 127 17.106 8.356 0.698 1.00 12.12 H new ATOM 0 HB3 GLU A 127 17.470 10.066 0.810 1.00 12.12 H new ATOM 0 HG2 GLU A 127 16.361 8.698 -1.666 1.00 23.42 H new ATOM 0 HG3 GLU A 127 15.392 9.553 -0.482 1.00 23.42 H new TER 1913 GLU A 127