USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 941 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 8 SER OG : rot -172:sc= 1.19 USER MOD Set 1.2: A 106 THR OG1 : rot 71:sc= 0.581 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0837 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 16:sc= 1.14 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -128:sc= -0.861 (180deg=-3.68!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.962 (180deg=-1.39!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.24 USER MOD Single : A 27 ASN : amide:sc= -3.33 K(o=-3.3,f=-3.9!) USER MOD Single : A 31 HIS : no HD1:sc= -0.0878 K(o=-0.088,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 107:sc= -0.177 USER MOD Single : A 50 SER OG : rot 180:sc=0.000807 USER MOD Single : A 52 SER OG : rot -19:sc= 0.936 USER MOD Single : A 56 HIS : no HD1:sc=-0.00813 X(o=-0.0081,f=-0.24) USER MOD Single : A 59 THR OG1 : rot 42:sc= 0.029 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00205 USER MOD Single : A 69 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= -1.02 (180deg=-2.28!) USER MOD Single : A 75 THR OG1 : rot 114:sc= 0.00998 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.64 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.812 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -167:sc= -0.115 (180deg=-0.384) USER MOD Single : A 88 HIS : no HD1:sc= -0.0455 X(o=-0.045,f=-0.17) USER MOD Single : A 90 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-2.8) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.24) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -127:sc= -2.41 (180deg=-11.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 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= 0.0248 USER MOD Single : A 119 THR OG1 : rot -16:sc= 0.704 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.394) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.424 -5.761 3.009 1.00 61.14 N ATOM 2 CA GLY A 1 -0.714 -4.497 3.069 1.00 32.12 C ATOM 3 C GLY A 1 -1.329 -3.443 2.168 1.00 34.20 C ATOM 4 O GLY A 1 -2.323 -3.686 1.483 1.00 34.12 O ATOM 0 H1 GLY A 1 -1.810 -5.987 3.948 1.00 61.14 H new ATOM 0 H2 GLY A 1 -2.202 -5.690 2.322 1.00 61.14 H new ATOM 0 H3 GLY A 1 -0.769 -6.513 2.714 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -0.710 -4.134 4.097 1.00 32.12 H new ATOM 0 HA3 GLY A 1 0.326 -4.654 2.782 1.00 32.12 H new ATOM 8 N PRO A 2 -0.733 -2.242 2.164 1.00 40.13 N ATOM 9 CA PRO A 2 -1.213 -1.123 1.347 1.00 12.23 C ATOM 10 C PRO A 2 -0.980 -1.354 -0.143 1.00 60.11 C ATOM 11 O PRO A 2 -0.590 -2.444 -0.561 1.00 13.32 O ATOM 12 CB PRO A 2 -0.379 0.061 1.841 1.00 65.30 C ATOM 13 CG PRO A 2 0.864 -0.553 2.386 1.00 53.50 C ATOM 14 CD PRO A 2 0.455 -1.882 2.957 1.00 2.22 C ATOM 0 HA PRO A 2 -2.288 -0.975 1.448 1.00 12.23 H new ATOM 0 HB2 PRO A 2 -0.156 0.754 1.030 1.00 65.30 H new ATOM 0 HB3 PRO A 2 -0.910 0.627 2.607 1.00 65.30 H new ATOM 0 HG2 PRO A 2 1.612 -0.678 1.604 1.00 53.50 H new ATOM 0 HG3 PRO A 2 1.308 0.081 3.153 1.00 53.50 H new ATOM 0 HD2 PRO A 2 1.247 -2.624 2.855 1.00 2.22 H new ATOM 0 HD3 PRO A 2 0.222 -1.809 4.019 1.00 2.22 H new ATOM 22 N THR A 3 -1.223 -0.318 -0.941 1.00 14.22 N ATOM 23 CA THR A 3 -1.041 -0.407 -2.385 1.00 30.12 C ATOM 24 C THR A 3 0.365 -0.882 -2.734 1.00 52.42 C ATOM 25 O THR A 3 1.321 -0.604 -2.012 1.00 64.13 O ATOM 26 CB THR A 3 -1.296 0.949 -3.069 1.00 60.14 C ATOM 27 OG1 THR A 3 -0.253 1.871 -2.732 1.00 65.23 O ATOM 28 CG2 THR A 3 -2.641 1.522 -2.649 1.00 54.24 C ATOM 0 H THR A 3 -1.546 0.592 -0.612 1.00 14.22 H new ATOM 0 HA THR A 3 -1.768 -1.132 -2.750 1.00 30.12 H new ATOM 0 HB THR A 3 -1.307 0.791 -4.147 1.00 60.14 H new ATOM 0 HG1 THR A 3 -0.421 2.730 -3.172 1.00 65.23 H new ATOM 0 HG21 THR A 3 -2.799 2.480 -3.145 1.00 54.24 H new ATOM 0 HG22 THR A 3 -3.435 0.831 -2.932 1.00 54.24 H new ATOM 0 HG23 THR A 3 -2.654 1.666 -1.569 1.00 54.24 H new ATOM 36 N GLY A 4 0.482 -1.603 -3.845 1.00 41.43 N ATOM 37 CA GLY A 4 1.776 -2.106 -4.269 1.00 44.14 C ATOM 38 C GLY A 4 2.733 -0.993 -4.650 1.00 45.21 C ATOM 39 O GLY A 4 2.446 -0.194 -5.542 1.00 55.11 O ATOM 0 H GLY A 4 -0.295 -1.848 -4.459 1.00 41.43 H new ATOM 0 HA2 GLY A 4 2.214 -2.698 -3.465 1.00 44.14 H new ATOM 0 HA3 GLY A 4 1.642 -2.773 -5.120 1.00 44.14 H new ATOM 43 N THR A 5 3.875 -0.939 -3.972 1.00 31.41 N ATOM 44 CA THR A 5 4.877 0.085 -4.242 1.00 22.34 C ATOM 45 C THR A 5 6.224 -0.541 -4.584 1.00 31.32 C ATOM 46 O THR A 5 6.855 -1.179 -3.743 1.00 14.22 O ATOM 47 CB THR A 5 5.053 1.029 -3.037 1.00 73.45 C ATOM 48 OG1 THR A 5 5.683 0.332 -1.956 1.00 5.02 O ATOM 49 CG2 THR A 5 3.710 1.578 -2.579 1.00 64.33 C ATOM 0 H THR A 5 4.129 -1.593 -3.231 1.00 31.41 H new ATOM 0 HA THR A 5 4.520 0.660 -5.096 1.00 22.34 H new ATOM 0 HB THR A 5 5.682 1.863 -3.346 1.00 73.45 H new ATOM 0 HG1 THR A 5 6.084 -0.497 -2.291 1.00 5.02 H new ATOM 0 HG21 THR A 5 3.860 2.242 -1.727 1.00 64.33 H new ATOM 0 HG22 THR A 5 3.247 2.133 -3.395 1.00 64.33 H new ATOM 0 HG23 THR A 5 3.060 0.753 -2.286 1.00 64.33 H new ATOM 57 N GLY A 6 6.660 -0.352 -5.826 1.00 71.40 N ATOM 58 CA GLY A 6 7.931 -0.904 -6.257 1.00 40.22 C ATOM 59 C GLY A 6 9.041 0.129 -6.262 1.00 10.15 C ATOM 60 O GLY A 6 10.012 0.002 -7.006 1.00 53.20 O ATOM 0 H GLY A 6 6.156 0.173 -6.541 1.00 71.40 H new ATOM 0 HA2 GLY A 6 8.208 -1.727 -5.598 1.00 40.22 H new ATOM 0 HA3 GLY A 6 7.822 -1.320 -7.259 1.00 40.22 H new ATOM 64 N GLU A 7 8.894 1.156 -5.431 1.00 40.40 N ATOM 65 CA GLU A 7 9.891 2.216 -5.345 1.00 12.15 C ATOM 66 C GLU A 7 9.836 2.907 -3.985 1.00 51.21 C ATOM 67 O GLU A 7 8.888 2.722 -3.221 1.00 21.41 O ATOM 68 CB GLU A 7 9.674 3.242 -6.459 1.00 43.22 C ATOM 69 CG GLU A 7 10.954 3.915 -6.926 1.00 35.11 C ATOM 70 CD GLU A 7 10.752 4.753 -8.173 1.00 70.21 C ATOM 71 OE1 GLU A 7 9.988 5.740 -8.104 1.00 64.44 O ATOM 72 OE2 GLU A 7 11.356 4.424 -9.215 1.00 72.12 O1- ATOM 0 H GLU A 7 8.095 1.276 -4.809 1.00 40.40 H new ATOM 0 HA GLU A 7 10.876 1.763 -5.464 1.00 12.15 H new ATOM 0 HB2 GLU A 7 9.202 2.749 -7.309 1.00 43.22 H new ATOM 0 HB3 GLU A 7 8.980 4.005 -6.108 1.00 43.22 H new ATOM 0 HG2 GLU A 7 11.340 4.548 -6.127 1.00 35.11 H new ATOM 0 HG3 GLU A 7 11.709 3.154 -7.123 1.00 35.11 H new ATOM 79 N SER A 8 10.859 3.703 -3.689 1.00 30.32 N ATOM 80 CA SER A 8 10.930 4.417 -2.421 1.00 50.54 C ATOM 81 C SER A 8 10.288 5.796 -2.537 1.00 74.54 C ATOM 82 O SER A 8 9.733 6.150 -3.577 1.00 32.03 O ATOM 83 CB SER A 8 12.385 4.555 -1.969 1.00 2.22 C ATOM 84 OG SER A 8 12.931 3.296 -1.614 1.00 41.42 O ATOM 0 H SER A 8 11.650 3.869 -4.311 1.00 30.32 H new ATOM 0 HA SER A 8 10.380 3.841 -1.677 1.00 50.54 H new ATOM 0 HB2 SER A 8 12.977 4.999 -2.769 1.00 2.22 H new ATOM 0 HB3 SER A 8 12.442 5.233 -1.117 1.00 2.22 H new ATOM 0 HG SER A 8 13.817 3.424 -1.215 1.00 41.42 H new ATOM 90 N LYS A 9 10.369 6.572 -1.462 1.00 25.14 N ATOM 91 CA LYS A 9 9.798 7.914 -1.440 1.00 4.14 C ATOM 92 C LYS A 9 10.894 8.970 -1.335 1.00 50.55 C ATOM 93 O LYS A 9 11.134 9.725 -2.278 1.00 2.11 O ATOM 94 CB LYS A 9 8.823 8.057 -0.269 1.00 2.34 C ATOM 95 CG LYS A 9 7.865 6.887 -0.130 1.00 10.32 C ATOM 96 CD LYS A 9 8.426 5.813 0.785 1.00 40.34 C ATOM 97 CE LYS A 9 7.933 4.429 0.388 1.00 14.34 C ATOM 98 NZ LYS A 9 6.464 4.284 0.593 1.00 60.34 N1+ ATOM 0 H LYS A 9 10.825 6.294 -0.593 1.00 25.14 H new ATOM 0 HA LYS A 9 9.258 8.067 -2.375 1.00 4.14 H new ATOM 0 HB2 LYS A 9 9.391 8.163 0.655 1.00 2.34 H new ATOM 0 HB3 LYS A 9 8.248 8.974 -0.396 1.00 2.34 H new ATOM 0 HG2 LYS A 9 6.912 7.241 0.264 1.00 10.32 H new ATOM 0 HG3 LYS A 9 7.665 6.461 -1.113 1.00 10.32 H new ATOM 0 HD2 LYS A 9 9.515 5.836 0.750 1.00 40.34 H new ATOM 0 HD3 LYS A 9 8.136 6.022 1.814 1.00 40.34 H new ATOM 0 HE2 LYS A 9 8.174 4.244 -0.659 1.00 14.34 H new ATOM 0 HE3 LYS A 9 8.458 3.674 0.974 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 6.167 3.328 0.311 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 6.237 4.435 1.597 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 5.962 4.987 0.014 1.00 60.34 H new ATOM 112 N CYS A 10 11.557 9.015 -0.186 1.00 54.34 N ATOM 113 CA CYS A 10 12.628 9.978 0.043 1.00 63.03 C ATOM 114 C CYS A 10 13.773 9.761 -0.942 1.00 10.52 C ATOM 115 O CYS A 10 13.913 8.695 -1.542 1.00 12.21 O ATOM 116 CB CYS A 10 13.144 9.869 1.478 1.00 2.32 C ATOM 117 SG CYS A 10 12.268 10.919 2.660 1.00 4.01 S ATOM 0 H CYS A 10 11.372 8.395 0.603 1.00 54.34 H new ATOM 0 HA CYS A 10 12.223 10.978 -0.113 1.00 63.03 H new ATOM 0 HB2 CYS A 10 13.066 8.831 1.803 1.00 2.32 H new ATOM 0 HB3 CYS A 10 14.202 10.129 1.493 1.00 2.32 H new ATOM 0 HG CYS A 10 12.775 10.755 3.846 1.00 4.01 H new ATOM 123 N PRO A 11 14.611 10.794 -1.113 1.00 53.44 N ATOM 124 CA PRO A 11 15.758 10.739 -2.024 1.00 54.45 C ATOM 125 C PRO A 11 16.854 9.806 -1.521 1.00 45.03 C ATOM 126 O PRO A 11 17.552 9.170 -2.311 1.00 23.34 O ATOM 127 CB PRO A 11 16.258 12.186 -2.051 1.00 72.55 C ATOM 128 CG PRO A 11 15.809 12.767 -0.755 1.00 3.34 C ATOM 129 CD PRO A 11 14.504 12.094 -0.430 1.00 61.21 C ATOM 0 HA PRO A 11 15.482 10.350 -3.004 1.00 54.45 H new ATOM 0 HB2 PRO A 11 17.343 12.228 -2.149 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.840 12.733 -2.896 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.546 12.589 0.029 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.682 13.847 -0.834 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.371 11.973 0.645 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.653 12.670 -0.794 1.00 61.21 H new ATOM 137 N LEU A 12 17.001 9.730 -0.203 1.00 63.12 N ATOM 138 CA LEU A 12 18.014 8.874 0.406 1.00 52.33 C ATOM 139 C LEU A 12 17.489 8.241 1.691 1.00 2.43 C ATOM 140 O LEU A 12 17.172 8.939 2.654 1.00 13.02 O ATOM 141 CB LEU A 12 19.280 9.679 0.701 1.00 40.22 C ATOM 142 CG LEU A 12 20.487 8.876 1.188 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.345 8.543 2.665 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.651 7.606 0.366 1.00 15.23 C ATOM 0 H LEU A 12 16.432 10.250 0.465 1.00 63.12 H new ATOM 0 HA LEU A 12 18.254 8.078 -0.299 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.566 10.214 -0.205 1.00 40.22 H new ATOM 0 HB3 LEU A 12 19.041 10.431 1.453 1.00 40.22 H new ATOM 0 HG LEU A 12 21.381 9.486 1.058 1.00 11.33 H new ATOM 0 HD11 LEU A 12 21.213 7.971 2.994 1.00 73.42 H new ATOM 0 HD12 LEU A 12 20.278 9.466 3.241 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.442 7.953 2.820 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.515 7.048 0.727 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.756 6.992 0.463 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.800 7.867 -0.682 1.00 15.23 H new ATOM 156 N MET A 13 17.404 6.915 1.698 1.00 61.20 N ATOM 157 CA MET A 13 16.922 6.188 2.867 1.00 22.34 C ATOM 158 C MET A 13 17.788 4.962 3.140 1.00 2.51 C ATOM 159 O MET A 13 18.338 4.360 2.217 1.00 53.15 O ATOM 160 CB MET A 13 15.465 5.762 2.665 1.00 74.34 C ATOM 161 CG MET A 13 15.265 4.822 1.488 1.00 62.10 C ATOM 162 SD MET A 13 13.914 3.656 1.753 1.00 31.34 S ATOM 163 CE MET A 13 14.564 2.689 3.114 1.00 60.31 C ATOM 0 H MET A 13 17.662 6.323 0.909 1.00 61.20 H new ATOM 0 HA MET A 13 16.983 6.854 3.728 1.00 22.34 H new ATOM 0 HB2 MET A 13 15.108 5.276 3.573 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.852 6.651 2.518 1.00 74.34 H new ATOM 0 HG2 MET A 13 15.064 5.407 0.591 1.00 62.10 H new ATOM 0 HG3 MET A 13 16.187 4.269 1.308 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.509 1.629 2.866 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.603 2.966 3.294 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.976 2.883 4.011 1.00 60.31 H new ATOM 173 N VAL A 14 17.904 4.596 4.413 1.00 21.22 N ATOM 174 CA VAL A 14 18.703 3.442 4.807 1.00 2.34 C ATOM 175 C VAL A 14 17.819 2.231 5.087 1.00 34.21 C ATOM 176 O VAL A 14 16.803 2.337 5.772 1.00 35.53 O ATOM 177 CB VAL A 14 19.549 3.746 6.057 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.315 2.507 6.497 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.500 4.903 5.789 1.00 44.55 C ATOM 0 H VAL A 14 17.455 5.082 5.189 1.00 21.22 H new ATOM 0 HA VAL A 14 19.368 3.218 3.973 1.00 2.34 H new ATOM 0 HB VAL A 14 18.879 4.037 6.866 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.907 2.741 7.382 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.611 1.708 6.732 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.976 2.183 5.693 1.00 51.25 H new ATOM 0 HG21 VAL A 14 21.090 5.104 6.683 1.00 44.55 H new ATOM 0 HG22 VAL A 14 21.166 4.644 4.966 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.927 5.792 5.525 1.00 44.55 H new ATOM 189 N LYS A 15 18.213 1.082 4.550 1.00 20.03 N ATOM 190 CA LYS A 15 17.459 -0.151 4.742 1.00 34.30 C ATOM 191 C LYS A 15 18.351 -1.253 5.304 1.00 62.02 C ATOM 192 O LYS A 15 19.224 -1.774 4.609 1.00 61.44 O ATOM 193 CB LYS A 15 16.840 -0.606 3.419 1.00 53.00 C ATOM 194 CG LYS A 15 16.205 -1.985 3.487 1.00 15.14 C ATOM 195 CD LYS A 15 15.004 -1.999 4.417 1.00 41.01 C ATOM 196 CE LYS A 15 15.357 -2.590 5.773 1.00 63.11 C ATOM 197 NZ LYS A 15 14.240 -3.400 6.334 1.00 53.54 N1+ ATOM 0 H LYS A 15 19.051 0.979 3.978 1.00 20.03 H new ATOM 0 HA LYS A 15 16.663 0.048 5.459 1.00 34.30 H new ATOM 0 HB2 LYS A 15 16.085 0.118 3.113 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.611 -0.608 2.648 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.897 -2.295 2.488 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.942 -2.710 3.832 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.631 -0.983 4.547 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.199 -2.578 3.965 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.245 -3.214 5.677 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.606 -1.786 6.466 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.366 -3.500 7.362 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.335 -2.925 6.140 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.238 -4.342 5.892 1.00 53.54 H new ATOM 211 N VAL A 16 18.127 -1.605 6.566 1.00 25.51 N ATOM 212 CA VAL A 16 18.909 -2.647 7.221 1.00 72.30 C ATOM 213 C VAL A 16 18.007 -3.741 7.781 1.00 42.30 C ATOM 214 O VAL A 16 17.145 -3.479 8.621 1.00 53.32 O ATOM 215 CB VAL A 16 19.770 -2.071 8.360 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.589 -3.170 9.019 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.671 -0.962 7.838 1.00 21.20 C ATOM 0 H VAL A 16 17.410 -1.183 7.156 1.00 25.51 H new ATOM 0 HA VAL A 16 19.565 -3.075 6.463 1.00 72.30 H new ATOM 0 HB VAL A 16 19.107 -1.645 9.113 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.191 -2.744 9.821 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.920 -3.926 9.430 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.244 -3.629 8.279 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.272 -0.566 8.656 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.328 -1.360 7.065 1.00 21.20 H new ATOM 0 HG23 VAL A 16 20.059 -0.163 7.418 1.00 21.20 H new ATOM 227 N LEU A 17 18.211 -4.967 7.313 1.00 45.53 N ATOM 228 CA LEU A 17 17.417 -6.102 7.769 1.00 34.25 C ATOM 229 C LEU A 17 18.293 -7.333 7.976 1.00 35.30 C ATOM 230 O LEU A 17 19.276 -7.534 7.262 1.00 14.24 O ATOM 231 CB LEU A 17 16.311 -6.414 6.759 1.00 4.15 C ATOM 232 CG LEU A 17 16.723 -7.257 5.552 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.262 -8.696 5.723 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.159 -6.664 4.269 1.00 44.01 C ATOM 0 H LEU A 17 18.920 -5.201 6.618 1.00 45.53 H new ATOM 0 HA LEU A 17 16.965 -5.836 8.725 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.506 -6.931 7.280 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.902 -5.471 6.396 1.00 4.15 H new ATOM 0 HG LEU A 17 17.811 -7.251 5.484 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.564 -9.281 4.854 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.714 -9.119 6.620 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.176 -8.721 5.818 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.463 -7.277 3.421 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.071 -6.639 4.328 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.539 -5.651 4.139 1.00 44.01 H new ATOM 246 N ASP A 18 17.931 -8.153 8.956 1.00 35.22 N ATOM 247 CA ASP A 18 18.683 -9.366 9.255 1.00 62.01 C ATOM 248 C ASP A 18 18.299 -10.493 8.301 1.00 31.11 C ATOM 249 O ASP A 18 17.174 -10.990 8.332 1.00 73.51 O ATOM 250 CB ASP A 18 18.438 -9.800 10.701 1.00 12.00 C ATOM 251 CG ASP A 18 19.535 -9.337 11.639 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.926 -8.153 11.557 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 20.004 -10.158 12.454 1.00 41.53 O ATOM 0 H ASP A 18 17.121 -8.000 9.557 1.00 35.22 H new ATOM 0 HA ASP A 18 19.743 -9.148 9.124 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.482 -9.401 11.040 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.363 -10.887 10.743 1.00 12.00 H new ATOM 258 N ALA A 19 19.242 -10.890 7.453 1.00 34.14 N ATOM 259 CA ALA A 19 19.003 -11.958 6.490 1.00 74.24 C ATOM 260 C ALA A 19 18.678 -13.270 7.195 1.00 42.11 C ATOM 261 O ALA A 19 18.150 -14.200 6.586 1.00 25.21 O ATOM 262 CB ALA A 19 20.212 -12.130 5.581 1.00 45.22 C ATOM 0 H ALA A 19 20.179 -10.488 7.413 1.00 34.14 H new ATOM 0 HA ALA A 19 18.142 -11.679 5.882 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.019 -12.931 4.867 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.398 -11.201 5.043 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.086 -12.382 6.182 1.00 45.22 H new ATOM 268 N VAL A 20 18.999 -13.339 8.484 1.00 34.04 N ATOM 269 CA VAL A 20 18.740 -14.538 9.273 1.00 21.35 C ATOM 270 C VAL A 20 17.283 -14.970 9.154 1.00 44.04 C ATOM 271 O VAL A 20 16.991 -16.132 8.867 1.00 43.12 O ATOM 272 CB VAL A 20 19.079 -14.316 10.758 1.00 5.35 C ATOM 273 CG1 VAL A 20 18.936 -15.614 11.539 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.482 -13.748 10.905 1.00 3.13 C ATOM 0 H VAL A 20 19.439 -12.579 9.003 1.00 34.04 H new ATOM 0 HA VAL A 20 19.382 -15.324 8.875 1.00 21.35 H new ATOM 0 HB VAL A 20 18.374 -13.593 11.169 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.180 -15.437 12.587 1.00 34.41 H new ATOM 0 HG12 VAL A 20 17.910 -15.974 11.461 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.615 -16.362 11.130 1.00 34.41 H new ATOM 0 HG21 VAL A 20 20.705 -13.597 11.961 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.203 -14.445 10.478 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.545 -12.794 10.381 1.00 3.13 H new ATOM 284 N ARG A 21 16.372 -14.029 9.378 1.00 13.31 N ATOM 285 CA ARG A 21 14.945 -14.312 9.297 1.00 41.52 C ATOM 286 C ARG A 21 14.289 -13.494 8.188 1.00 40.44 C ATOM 287 O ARG A 21 13.178 -13.795 7.754 1.00 1.41 O ATOM 288 CB ARG A 21 14.266 -14.011 10.634 1.00 42.31 C ATOM 289 CG ARG A 21 15.098 -14.413 11.842 1.00 55.31 C ATOM 290 CD ARG A 21 15.888 -13.235 12.390 1.00 11.13 C ATOM 291 NE ARG A 21 15.239 -12.631 13.551 1.00 51.30 N ATOM 292 CZ ARG A 21 15.190 -13.206 14.747 1.00 13.52 C ATOM 293 NH1 ARG A 21 15.750 -14.392 14.939 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 14.581 -12.594 15.754 1.00 1.52 N ATOM 0 H ARG A 21 16.597 -13.063 9.617 1.00 13.31 H new ATOM 0 HA ARG A 21 14.824 -15.370 9.065 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.050 -12.944 10.691 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.309 -14.532 10.672 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.445 -14.808 12.620 1.00 55.31 H new ATOM 0 HG3 ARG A 21 15.783 -15.214 11.563 1.00 55.31 H new ATOM 0 HD2 ARG A 21 16.889 -13.567 12.667 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.006 -12.484 11.609 1.00 11.13 H new ATOM 0 HE ARG A 21 14.799 -11.718 13.437 1.00 51.30 H new ATOM 0 HH11 ARG A 21 16.220 -14.865 14.167 1.00 72.23 H new ATOM 0 HH12 ARG A 21 15.711 -14.832 15.859 1.00 72.23 H new ATOM 0 HH21 ARG A 21 14.150 -11.681 15.610 1.00 1.52 H new ATOM 0 HH22 ARG A 21 14.544 -13.037 16.672 1.00 1.52 H new ATOM 308 N GLY A 22 14.987 -12.457 7.732 1.00 74.32 N ATOM 309 CA GLY A 22 14.458 -11.612 6.678 1.00 71.21 C ATOM 310 C GLY A 22 13.731 -10.397 7.220 1.00 53.11 C ATOM 311 O GLY A 22 13.168 -9.612 6.457 1.00 34.42 O ATOM 0 H GLY A 22 15.909 -12.188 8.074 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.274 -11.286 6.034 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.776 -12.194 6.058 1.00 71.21 H new ATOM 315 N SER A 23 13.740 -10.243 8.540 1.00 51.51 N ATOM 316 CA SER A 23 13.072 -9.119 9.184 1.00 3.34 C ATOM 317 C SER A 23 14.025 -7.937 9.339 1.00 32.43 C ATOM 318 O SER A 23 15.246 -8.076 9.258 1.00 43.34 O ATOM 319 CB SER A 23 12.531 -9.535 10.553 1.00 71.44 C ATOM 320 OG SER A 23 13.048 -10.794 10.944 1.00 35.11 O ATOM 0 H SER A 23 14.203 -10.883 9.185 1.00 51.51 H new ATOM 0 HA SER A 23 12.240 -8.812 8.551 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.796 -8.783 11.296 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.442 -9.580 10.519 1.00 71.44 H new ATOM 0 HG SER A 23 12.689 -11.037 11.823 1.00 35.11 H new ATOM 326 N PRO A 24 13.456 -6.744 9.569 1.00 34.11 N ATOM 327 CA PRO A 24 14.236 -5.515 9.741 1.00 75.01 C ATOM 328 C PRO A 24 15.017 -5.503 11.050 1.00 32.44 C ATOM 329 O PRO A 24 14.618 -6.135 12.028 1.00 65.23 O ATOM 330 CB PRO A 24 13.170 -4.417 9.745 1.00 55.43 C ATOM 331 CG PRO A 24 11.926 -5.098 10.202 1.00 2.33 C ATOM 332 CD PRO A 24 12.007 -6.504 9.678 1.00 25.13 C ATOM 0 HA PRO A 24 14.988 -5.396 8.960 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.444 -3.602 10.415 1.00 55.43 H new ATOM 0 HB3 PRO A 24 13.043 -3.985 8.752 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.854 -5.091 11.290 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.040 -4.590 9.821 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.532 -7.213 10.356 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.510 -6.603 8.713 1.00 25.13 H new ATOM 340 N ALA A 25 16.132 -4.780 11.061 1.00 41.01 N ATOM 341 CA ALA A 25 16.968 -4.684 12.252 1.00 63.44 C ATOM 342 C ALA A 25 16.682 -3.400 13.022 1.00 30.11 C ATOM 343 O ALA A 25 16.533 -2.330 12.430 1.00 75.14 O ATOM 344 CB ALA A 25 18.440 -4.755 11.870 1.00 64.11 C ATOM 0 H ALA A 25 16.477 -4.252 10.259 1.00 41.01 H new ATOM 0 HA ALA A 25 16.730 -5.527 12.901 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.053 -4.682 12.768 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.641 -5.702 11.370 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.682 -3.931 11.198 1.00 64.11 H new ATOM 350 N ILE A 26 16.604 -3.513 14.343 1.00 43.00 N ATOM 351 CA ILE A 26 16.334 -2.360 15.194 1.00 13.15 C ATOM 352 C ILE A 26 17.596 -1.906 15.921 1.00 11.44 C ATOM 353 O ILE A 26 18.382 -2.728 16.393 1.00 75.40 O ATOM 354 CB ILE A 26 15.240 -2.670 16.233 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.861 -2.322 15.672 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.503 -1.906 17.522 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.481 -0.870 15.859 1.00 11.12 C ATOM 0 H ILE A 26 16.724 -4.391 14.848 1.00 43.00 H new ATOM 0 HA ILE A 26 15.986 -1.560 14.540 1.00 13.15 H new ATOM 0 HB ILE A 26 15.262 -3.737 16.456 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.840 -2.561 14.609 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.112 -2.950 16.155 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.722 -2.135 18.247 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.471 -2.199 17.928 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.505 -0.836 17.317 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.491 -0.696 15.437 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.470 -0.631 16.922 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.208 -0.235 15.352 1.00 11.12 H new ATOM 369 N ASN A 27 17.784 -0.593 16.007 1.00 72.15 N ATOM 370 CA ASN A 27 18.950 -0.030 16.678 1.00 74.24 C ATOM 371 C ASN A 27 20.236 -0.434 15.963 1.00 65.44 C ATOM 372 O ASN A 27 21.095 -1.102 16.538 1.00 74.45 O ATOM 373 CB ASN A 27 18.997 -0.491 18.137 1.00 42.11 C ATOM 374 CG ASN A 27 17.692 -0.237 18.866 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.247 -1.058 19.670 1.00 33.42 O ATOM 376 ND2 ASN A 27 17.071 0.903 18.588 1.00 65.05 N ATOM 0 H ASN A 27 17.144 0.101 15.620 1.00 72.15 H new ATOM 0 HA ASN A 27 18.866 1.056 16.650 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.228 -1.556 18.171 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.805 0.027 18.653 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.189 1.128 19.047 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.476 1.554 17.915 1.00 65.05 H new ATOM 383 N VAL A 28 20.362 -0.021 14.707 1.00 63.23 N ATOM 384 CA VAL A 28 21.543 -0.337 13.913 1.00 64.00 C ATOM 385 C VAL A 28 22.304 0.929 13.532 1.00 62.33 C ATOM 386 O VAL A 28 21.832 1.730 12.728 1.00 75.42 O ATOM 387 CB VAL A 28 21.169 -1.104 12.630 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.415 -1.427 11.819 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.402 -2.371 12.972 1.00 70.12 C ATOM 0 H VAL A 28 19.660 0.534 14.217 1.00 63.23 H new ATOM 0 HA VAL A 28 22.180 -0.969 14.532 1.00 64.00 H new ATOM 0 HB VAL A 28 20.524 -0.469 12.023 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.131 -1.969 10.917 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.920 -0.501 11.543 1.00 23.21 H new ATOM 0 HG13 VAL A 28 23.088 -2.043 12.416 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.146 -2.900 12.054 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.020 -3.012 13.600 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.489 -2.110 13.507 1.00 70.12 H new ATOM 399 N ALA A 29 23.486 1.100 14.117 1.00 51.31 N ATOM 400 CA ALA A 29 24.314 2.266 13.837 1.00 14.44 C ATOM 401 C ALA A 29 24.593 2.395 12.343 1.00 34.01 C ATOM 402 O ALA A 29 25.050 1.448 11.703 1.00 1.50 O ATOM 403 CB ALA A 29 25.619 2.186 14.615 1.00 51.41 C ATOM 0 H ALA A 29 23.891 0.446 14.787 1.00 51.31 H new ATOM 0 HA ALA A 29 23.768 3.154 14.156 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.227 3.063 14.396 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.404 2.151 15.683 1.00 51.41 H new ATOM 0 HB3 ALA A 29 26.162 1.287 14.324 1.00 51.41 H new ATOM 409 N VAL A 30 24.317 3.574 11.794 1.00 53.05 N ATOM 410 CA VAL A 30 24.538 3.827 10.375 1.00 30.12 C ATOM 411 C VAL A 30 25.137 5.211 10.152 1.00 13.12 C ATOM 412 O VAL A 30 24.677 6.198 10.726 1.00 14.35 O ATOM 413 CB VAL A 30 23.229 3.710 9.573 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.496 3.895 8.087 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.559 2.370 9.840 1.00 21.10 C ATOM 0 H VAL A 30 23.940 4.369 12.310 1.00 53.05 H new ATOM 0 HA VAL A 30 25.238 3.070 10.023 1.00 30.12 H new ATOM 0 HB VAL A 30 22.552 4.500 9.898 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.560 3.809 7.536 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.929 4.880 7.915 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.191 3.128 7.744 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.635 2.304 9.265 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.229 1.563 9.544 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.332 2.282 10.903 1.00 21.10 H new ATOM 425 N HIS A 31 26.164 5.277 9.312 1.00 64.03 N ATOM 426 CA HIS A 31 26.825 6.541 9.010 1.00 64.42 C ATOM 427 C HIS A 31 26.887 6.778 7.504 1.00 32.44 C ATOM 428 O HIS A 31 27.430 5.962 6.759 1.00 61.22 O ATOM 429 CB HIS A 31 28.237 6.557 9.597 1.00 31.03 C ATOM 430 CG HIS A 31 28.312 6.012 10.991 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.307 4.663 11.273 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.394 6.644 12.184 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.382 4.488 12.580 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.437 5.676 13.157 1.00 41.10 N ATOM 0 H HIS A 31 26.557 4.470 8.828 1.00 64.03 H new ATOM 0 HA HIS A 31 26.241 7.343 9.463 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.896 5.976 8.952 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.611 7.581 9.595 1.00 31.03 H new ATOM 0 HD2 HIS A 31 28.421 7.712 12.342 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.396 3.536 13.090 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.501 5.846 14.161 1.00 41.10 H new ATOM 442 N VAL A 32 26.324 7.897 7.061 1.00 24.00 N ATOM 443 CA VAL A 32 26.315 8.241 5.644 1.00 4.03 C ATOM 444 C VAL A 32 27.348 9.318 5.333 1.00 11.32 C ATOM 445 O VAL A 32 27.517 10.270 6.094 1.00 31.44 O ATOM 446 CB VAL A 32 24.926 8.733 5.196 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.856 8.822 3.679 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.837 7.819 5.736 1.00 32.45 C ATOM 0 H VAL A 32 25.868 8.582 7.664 1.00 24.00 H new ATOM 0 HA VAL A 32 26.566 7.333 5.096 1.00 4.03 H new ATOM 0 HB VAL A 32 24.764 9.731 5.603 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.868 9.171 3.380 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.612 9.521 3.320 1.00 52.25 H new ATOM 0 HG13 VAL A 32 25.039 7.838 3.248 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.862 8.182 5.410 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.992 6.807 5.361 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.875 7.812 6.825 1.00 32.45 H new ATOM 458 N PHE A 33 28.038 9.158 4.208 1.00 51.12 N ATOM 459 CA PHE A 33 29.057 10.117 3.795 1.00 51.45 C ATOM 460 C PHE A 33 28.920 10.451 2.313 1.00 55.55 C ATOM 461 O PHE A 33 28.231 9.753 1.569 1.00 10.22 O ATOM 462 CB PHE A 33 30.455 9.560 4.076 1.00 10.20 C ATOM 463 CG PHE A 33 30.820 9.567 5.534 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.258 8.649 6.405 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.727 10.490 6.030 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.593 8.653 7.747 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.065 10.498 7.370 1.00 73.04 C ATOM 468 CZ PHE A 33 31.498 9.578 8.229 1.00 5.30 C ATOM 0 H PHE A 33 27.910 8.375 3.567 1.00 51.12 H new ATOM 0 HA PHE A 33 28.915 11.032 4.371 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.513 8.539 3.700 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.189 10.146 3.523 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.551 7.922 6.033 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.175 11.211 5.362 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.147 7.933 8.417 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.772 11.223 7.745 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.762 9.582 9.276 1.00 5.30 H new ATOM 478 N ARG A 34 29.579 11.526 1.891 1.00 64.43 N ATOM 479 CA ARG A 34 29.530 11.955 0.499 1.00 65.22 C ATOM 480 C ARG A 34 30.934 12.220 -0.039 1.00 15.34 C ATOM 481 O ARG A 34 31.799 12.724 0.677 1.00 10.42 O ATOM 482 CB ARG A 34 28.674 13.215 0.362 1.00 44.03 C ATOM 483 CG ARG A 34 28.504 13.683 -1.074 1.00 42.14 C ATOM 484 CD ARG A 34 29.509 14.767 -1.429 1.00 65.22 C ATOM 485 NE ARG A 34 29.218 15.380 -2.723 1.00 22.33 N ATOM 486 CZ ARG A 34 29.375 14.755 -3.884 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.816 13.505 -3.914 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.090 15.381 -5.019 1.00 1.52 N ATOM 0 H ARG A 34 30.153 12.115 2.494 1.00 64.43 H new ATOM 0 HA ARG A 34 29.081 11.153 -0.087 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.691 13.024 0.792 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.127 14.017 0.945 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.626 12.837 -1.750 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.492 14.062 -1.217 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.503 15.534 -0.655 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.512 14.340 -1.447 1.00 65.22 H new ATOM 0 HE ARG A 34 28.875 16.341 -2.735 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.036 13.021 -3.044 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.936 13.028 -4.807 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.750 16.343 -5.000 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.211 14.901 -5.911 1.00 1.52 H new ATOM 502 N LYS A 35 31.152 11.877 -1.304 1.00 52.41 N ATOM 503 CA LYS A 35 32.449 12.078 -1.938 1.00 13.50 C ATOM 504 C LYS A 35 32.799 13.560 -2.002 1.00 22.12 C ATOM 505 O LYS A 35 32.203 14.317 -2.766 1.00 23.40 O ATOM 506 CB LYS A 35 32.446 11.483 -3.348 1.00 52.13 C ATOM 507 CG LYS A 35 33.522 12.058 -4.253 1.00 14.31 C ATOM 508 CD LYS A 35 34.914 11.777 -3.713 1.00 53.52 C ATOM 509 CE LYS A 35 35.276 10.305 -3.845 1.00 23.31 C ATOM 510 NZ LYS A 35 36.097 10.041 -5.058 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.447 11.458 -1.910 1.00 52.41 H new ATOM 0 HA LYS A 35 33.203 11.570 -1.336 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.580 10.404 -3.278 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.471 11.654 -3.803 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.425 11.631 -5.251 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.379 13.134 -4.351 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.643 12.382 -4.252 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.966 12.073 -2.665 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.825 9.985 -2.959 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.364 9.709 -3.887 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.322 9.027 -5.111 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.564 10.322 -5.906 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.979 10.589 -5.006 1.00 21.52 H new ATOM 524 N ALA A 36 33.772 13.968 -1.193 1.00 11.43 N ATOM 525 CA ALA A 36 34.205 15.360 -1.160 1.00 5.53 C ATOM 526 C ALA A 36 34.953 15.732 -2.436 1.00 3.33 C ATOM 527 O ALA A 36 35.522 14.872 -3.107 1.00 43.41 O ATOM 528 CB ALA A 36 35.080 15.611 0.058 1.00 65.22 C ATOM 0 H ALA A 36 34.275 13.354 -0.552 1.00 11.43 H new ATOM 0 HA ALA A 36 33.318 15.990 -1.093 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.396 16.654 0.070 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.514 15.393 0.964 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.958 14.966 0.014 1.00 65.22 H new ATOM 534 N ALA A 37 34.946 17.020 -2.766 1.00 31.41 N ATOM 535 CA ALA A 37 35.625 17.507 -3.959 1.00 53.45 C ATOM 536 C ALA A 37 37.117 17.194 -3.910 1.00 42.42 C ATOM 537 O ALA A 37 37.794 17.187 -4.938 1.00 11.14 O ATOM 538 CB ALA A 37 35.402 19.003 -4.122 1.00 43.21 C ATOM 0 H ALA A 37 34.477 17.745 -2.223 1.00 31.41 H new ATOM 0 HA ALA A 37 35.201 16.993 -4.822 1.00 53.45 H new ATOM 0 HB1 ALA A 37 35.916 19.352 -5.018 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.335 19.204 -4.214 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.796 19.527 -3.251 1.00 43.21 H new ATOM 544 N ASP A 38 37.623 16.939 -2.708 1.00 21.45 N ATOM 545 CA ASP A 38 39.035 16.626 -2.524 1.00 71.21 C ATOM 546 C ASP A 38 39.263 15.117 -2.533 1.00 42.43 C ATOM 547 O ASP A 38 40.311 14.635 -2.104 1.00 64.32 O ATOM 548 CB ASP A 38 39.545 17.222 -1.212 1.00 40.43 C ATOM 549 CG ASP A 38 40.105 18.620 -1.391 1.00 61.52 C ATOM 550 OD1 ASP A 38 39.334 19.524 -1.777 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.315 18.810 -1.144 1.00 52.21 O1- ATOM 0 H ASP A 38 37.076 16.943 -1.847 1.00 21.45 H new ATOM 0 HA ASP A 38 39.590 17.065 -3.353 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.731 17.250 -0.488 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.318 16.574 -0.798 1.00 40.43 H new ATOM 556 N ASP A 39 38.275 14.377 -3.023 1.00 23.33 N ATOM 557 CA ASP A 39 38.366 12.923 -3.088 1.00 64.41 C ATOM 558 C ASP A 39 38.416 12.319 -1.688 1.00 62.43 C ATOM 559 O ASP A 39 39.145 11.358 -1.440 1.00 42.41 O ATOM 560 CB ASP A 39 39.604 12.505 -3.882 1.00 53.30 C ATOM 561 CG ASP A 39 39.891 13.437 -5.043 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.060 13.497 -5.974 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.946 14.106 -5.021 1.00 73.02 O1- ATOM 0 H ASP A 39 37.401 14.761 -3.382 1.00 23.33 H new ATOM 0 HA ASP A 39 37.476 12.549 -3.594 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.467 12.482 -3.217 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.465 11.492 -4.259 1.00 53.30 H new ATOM 568 N THR A 40 37.636 12.889 -0.775 1.00 24.15 N ATOM 569 CA THR A 40 37.592 12.409 0.600 1.00 43.05 C ATOM 570 C THR A 40 36.175 12.013 0.999 1.00 61.51 C ATOM 571 O THR A 40 35.249 12.089 0.192 1.00 34.22 O ATOM 572 CB THR A 40 38.112 13.475 1.584 1.00 44.50 C ATOM 573 OG1 THR A 40 37.112 14.478 1.792 1.00 41.21 O ATOM 574 CG2 THR A 40 39.384 14.121 1.059 1.00 21.33 C ATOM 0 H THR A 40 37.026 13.684 -0.964 1.00 24.15 H new ATOM 0 HA THR A 40 38.239 11.533 0.650 1.00 43.05 H new ATOM 0 HB THR A 40 38.337 12.985 2.531 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.449 15.151 2.420 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.732 14.870 1.770 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.152 13.359 0.929 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.181 14.598 0.100 1.00 21.33 H new ATOM 582 N TRP A 41 36.015 11.589 2.248 1.00 45.03 N ATOM 583 CA TRP A 41 34.709 11.181 2.754 1.00 2.42 C ATOM 584 C TRP A 41 34.158 12.212 3.732 1.00 70.44 C ATOM 585 O TRP A 41 34.630 12.320 4.863 1.00 32.21 O ATOM 586 CB TRP A 41 34.808 9.814 3.434 1.00 70.13 C ATOM 587 CG TRP A 41 34.968 8.680 2.469 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.705 8.680 1.319 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.378 7.380 2.568 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.607 7.459 0.698 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.800 6.643 1.445 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.535 6.764 3.499 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.406 5.324 1.228 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.145 5.457 3.282 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.580 4.748 2.154 1.00 75.05 C ATOM 0 H TRP A 41 36.772 11.519 2.928 1.00 45.03 H new ATOM 0 HA TRP A 41 34.025 11.109 1.909 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.654 9.819 4.121 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.912 9.648 4.033 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.280 9.517 0.952 1.00 33.11 H new ATOM 0 HE1 TRP A 41 36.062 7.202 -0.178 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.195 7.301 4.372 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.741 4.776 0.360 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.493 4.973 3.994 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.257 3.727 2.013 1.00 75.05 H new ATOM 606 N GLU A 42 33.157 12.966 3.290 1.00 73.10 N ATOM 607 CA GLU A 42 32.543 13.989 4.129 1.00 54.20 C ATOM 608 C GLU A 42 31.301 13.444 4.830 1.00 4.34 C ATOM 609 O GLU A 42 30.613 12.556 4.327 1.00 73.22 O ATOM 610 CB GLU A 42 32.171 15.213 3.289 1.00 31.41 C ATOM 611 CG GLU A 42 33.369 16.050 2.872 1.00 53.13 C ATOM 612 CD GLU A 42 33.668 17.169 3.849 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.935 18.181 3.836 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.635 17.034 4.629 1.00 64.44 O ATOM 0 H GLU A 42 32.754 12.888 2.356 1.00 73.10 H new ATOM 0 HA GLU A 42 33.268 14.284 4.888 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.640 14.883 2.396 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.482 15.838 3.857 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.244 15.406 2.784 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.185 16.474 1.885 1.00 53.13 H new ATOM 621 N PRO A 43 31.009 13.988 6.020 1.00 54.34 N ATOM 622 CA PRO A 43 29.850 13.572 6.817 1.00 24.43 C ATOM 623 C PRO A 43 28.530 14.001 6.187 1.00 42.40 C ATOM 624 O PRO A 43 28.246 15.193 6.066 1.00 63.02 O ATOM 625 CB PRO A 43 30.064 14.290 8.153 1.00 15.11 C ATOM 626 CG PRO A 43 30.898 15.476 7.817 1.00 23.24 C ATOM 627 CD PRO A 43 31.786 15.051 6.680 1.00 63.44 C ATOM 0 HA PRO A 43 29.783 12.488 6.906 1.00 24.43 H new ATOM 0 HB2 PRO A 43 29.115 14.587 8.599 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.566 13.644 8.873 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.274 16.322 7.529 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.489 15.793 8.676 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.993 15.878 6.001 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.748 14.683 7.037 1.00 63.44 H new ATOM 635 N PHE A 44 27.725 13.022 5.788 1.00 23.33 N ATOM 636 CA PHE A 44 26.434 13.299 5.168 1.00 30.03 C ATOM 637 C PHE A 44 25.302 13.144 6.181 1.00 11.52 C ATOM 638 O PHE A 44 24.362 13.938 6.203 1.00 21.02 O ATOM 639 CB PHE A 44 26.202 12.362 3.981 1.00 54.34 C ATOM 640 CG PHE A 44 24.933 12.648 3.230 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.715 12.186 3.703 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.958 13.377 2.053 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.545 12.447 3.015 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.791 13.642 1.361 1.00 24.11 C ATOM 645 CZ PHE A 44 22.583 13.175 1.842 1.00 75.12 C ATOM 0 H PHE A 44 27.943 12.030 5.883 1.00 23.33 H new ATOM 0 HA PHE A 44 26.443 14.329 4.812 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.046 12.441 3.296 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.178 11.333 4.340 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.680 11.616 4.619 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.900 13.743 1.671 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.602 12.082 3.394 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.824 14.214 0.445 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.670 13.379 1.302 1.00 75.12 H new ATOM 655 N ALA A 45 25.400 12.115 7.017 1.00 71.23 N ATOM 656 CA ALA A 45 24.386 11.857 8.032 1.00 64.43 C ATOM 657 C ALA A 45 24.782 10.680 8.915 1.00 24.31 C ATOM 658 O ALA A 45 25.801 10.030 8.680 1.00 5.31 O ATOM 659 CB ALA A 45 23.038 11.597 7.377 1.00 55.21 C ATOM 0 H ALA A 45 26.171 11.447 7.011 1.00 71.23 H new ATOM 0 HA ALA A 45 24.306 12.742 8.664 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.290 11.406 8.147 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.743 12.469 6.793 1.00 55.21 H new ATOM 0 HB3 ALA A 45 23.113 10.730 6.721 1.00 55.21 H new ATOM 665 N SER A 46 23.972 10.412 9.934 1.00 61.42 N ATOM 666 CA SER A 46 24.241 9.315 10.857 1.00 20.23 C ATOM 667 C SER A 46 23.056 9.088 11.791 1.00 55.20 C ATOM 668 O SER A 46 22.368 10.030 12.180 1.00 65.33 O ATOM 669 CB SER A 46 25.501 9.606 11.675 1.00 30.24 C ATOM 670 OG SER A 46 25.403 9.053 12.976 1.00 45.23 O ATOM 0 H SER A 46 23.124 10.939 10.142 1.00 61.42 H new ATOM 0 HA SER A 46 24.398 8.410 10.271 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.372 9.194 11.166 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.653 10.683 11.745 1.00 30.24 H new ATOM 0 HG SER A 46 26.221 9.251 13.478 1.00 45.23 H new ATOM 676 N GLY A 47 22.824 7.828 12.148 1.00 22.52 N ATOM 677 CA GLY A 47 21.722 7.498 13.033 1.00 13.24 C ATOM 678 C GLY A 47 21.564 6.004 13.230 1.00 23.24 C ATOM 679 O GLY A 47 22.512 5.241 13.044 1.00 53.34 O ATOM 0 H GLY A 47 23.380 7.030 11.840 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.882 7.974 14.000 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.798 7.907 12.625 1.00 13.24 H new ATOM 683 N LYS A 48 20.362 5.582 13.607 1.00 71.53 N ATOM 684 CA LYS A 48 20.081 4.170 13.831 1.00 65.33 C ATOM 685 C LYS A 48 18.818 3.742 13.090 1.00 1.25 C ATOM 686 O LYS A 48 17.783 4.404 13.171 1.00 42.23 O ATOM 687 CB LYS A 48 19.927 3.888 15.327 1.00 75.34 C ATOM 688 CG LYS A 48 21.218 3.456 16.001 1.00 22.40 C ATOM 689 CD LYS A 48 21.018 3.218 17.488 1.00 43.34 C ATOM 690 CE LYS A 48 20.655 4.504 18.214 1.00 30.21 C ATOM 691 NZ LYS A 48 21.148 4.507 19.619 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.566 6.200 13.764 1.00 71.53 H new ATOM 0 HA LYS A 48 20.922 3.594 13.444 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.552 4.785 15.820 1.00 75.34 H new ATOM 0 HB3 LYS A 48 19.176 3.110 15.466 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.587 2.544 15.532 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.980 4.221 15.853 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.230 2.480 17.637 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.930 2.802 17.917 1.00 43.34 H new ATOM 0 HE2 LYS A 48 21.078 5.354 17.679 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.572 4.630 18.209 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.880 5.400 20.079 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.725 3.711 20.137 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.184 4.412 19.624 1.00 35.43 H new ATOM 705 N THR A 49 18.908 2.630 12.368 1.00 51.42 N ATOM 706 CA THR A 49 17.773 2.114 11.613 1.00 70.12 C ATOM 707 C THR A 49 16.566 1.893 12.517 1.00 10.11 C ATOM 708 O THR A 49 16.663 2.016 13.738 1.00 53.44 O ATOM 709 CB THR A 49 18.122 0.789 10.908 1.00 52.42 C ATOM 710 OG1 THR A 49 18.322 -0.244 11.880 1.00 74.22 O ATOM 711 CG2 THR A 49 19.373 0.941 10.058 1.00 34.12 C ATOM 0 H THR A 49 19.756 2.069 12.290 1.00 51.42 H new ATOM 0 HA THR A 49 17.527 2.863 10.860 1.00 70.12 H new ATOM 0 HB THR A 49 17.291 0.519 10.257 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.558 -0.857 11.867 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.599 -0.007 9.571 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.208 1.708 9.301 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.211 1.232 10.692 1.00 34.12 H new ATOM 719 N SER A 50 15.429 1.567 11.910 1.00 34.50 N ATOM 720 CA SER A 50 14.202 1.333 12.662 1.00 20.42 C ATOM 721 C SER A 50 13.591 -0.017 12.296 1.00 73.51 C ATOM 722 O SER A 50 14.066 -0.700 11.389 1.00 35.41 O ATOM 723 CB SER A 50 13.194 2.452 12.394 1.00 43.22 C ATOM 724 OG SER A 50 12.188 2.481 13.392 1.00 64.44 O ATOM 0 H SER A 50 15.332 1.459 10.900 1.00 34.50 H new ATOM 0 HA SER A 50 14.450 1.324 13.723 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.710 3.412 12.365 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.736 2.307 11.416 1.00 43.22 H new ATOM 0 HG SER A 50 11.557 3.206 13.199 1.00 64.44 H new ATOM 730 N GLU A 51 12.534 -0.393 13.009 1.00 30.32 N ATOM 731 CA GLU A 51 11.858 -1.662 12.760 1.00 23.23 C ATOM 732 C GLU A 51 11.135 -1.638 11.416 1.00 40.22 C ATOM 733 O GLU A 51 10.639 -2.663 10.948 1.00 52.42 O ATOM 734 CB GLU A 51 10.862 -1.963 13.883 1.00 74.31 C ATOM 735 CG GLU A 51 9.959 -0.790 14.226 1.00 31.32 C ATOM 736 CD GLU A 51 8.488 -1.121 14.065 1.00 73.14 C ATOM 737 OE1 GLU A 51 8.004 -2.033 14.768 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.820 -0.468 13.236 1.00 65.12 O1- ATOM 0 H GLU A 51 12.127 0.162 13.762 1.00 30.32 H new ATOM 0 HA GLU A 51 12.613 -2.448 12.733 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.245 -2.813 13.592 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.413 -2.260 14.776 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.147 -0.479 15.254 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.210 0.056 13.586 1.00 31.32 H new ATOM 745 N SER A 52 11.080 -0.461 10.801 1.00 1.54 N ATOM 746 CA SER A 52 10.414 -0.302 9.514 1.00 44.12 C ATOM 747 C SER A 52 11.431 -0.273 8.377 1.00 3.03 C ATOM 748 O SER A 52 11.072 -0.102 7.212 1.00 54.51 O ATOM 749 CB SER A 52 9.581 0.981 9.502 1.00 55.52 C ATOM 750 OG SER A 52 9.012 1.208 8.224 1.00 34.12 O ATOM 0 H SER A 52 11.489 0.396 11.173 1.00 1.54 H new ATOM 0 HA SER A 52 9.753 -1.156 9.366 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.790 0.912 10.249 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.208 1.828 9.780 1.00 55.52 H new ATOM 0 HG SER A 52 9.503 0.691 7.551 1.00 34.12 H new ATOM 756 N GLY A 53 12.703 -0.440 8.724 1.00 14.45 N ATOM 757 CA GLY A 53 13.754 -0.430 7.723 1.00 40.03 C ATOM 758 C GLY A 53 13.996 0.954 7.152 1.00 14.23 C ATOM 759 O GLY A 53 14.542 1.093 6.058 1.00 21.34 O ATOM 0 H GLY A 53 13.025 -0.582 9.681 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.677 -0.804 8.166 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.489 -1.112 6.915 1.00 40.03 H new ATOM 763 N GLU A 54 13.588 1.978 7.894 1.00 31.13 N ATOM 764 CA GLU A 54 13.763 3.357 7.453 1.00 52.11 C ATOM 765 C GLU A 54 14.387 4.206 8.556 1.00 0.31 C ATOM 766 O GLU A 54 14.020 4.093 9.727 1.00 51.32 O ATOM 767 CB GLU A 54 12.418 3.956 7.034 1.00 40.52 C ATOM 768 CG GLU A 54 11.294 3.679 8.018 1.00 10.03 C ATOM 769 CD GLU A 54 10.219 4.748 7.991 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.331 4.675 7.116 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 10.264 5.656 8.846 1.00 31.31 O ATOM 0 H GLU A 54 13.134 1.879 8.802 1.00 31.13 H new ATOM 0 HA GLU A 54 14.436 3.354 6.595 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.530 5.034 6.918 1.00 40.52 H new ATOM 0 HB3 GLU A 54 12.141 3.558 6.058 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.846 2.712 7.789 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.706 3.609 9.025 1.00 10.03 H new ATOM 778 N LEU A 55 15.335 5.057 8.175 1.00 5.54 N ATOM 779 CA LEU A 55 16.012 5.926 9.131 1.00 34.15 C ATOM 780 C LEU A 55 15.621 7.383 8.914 1.00 70.31 C ATOM 781 O LEU A 55 15.991 7.994 7.911 1.00 34.41 O ATOM 782 CB LEU A 55 17.528 5.769 9.007 1.00 4.21 C ATOM 783 CG LEU A 55 18.293 5.571 10.316 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.704 5.077 10.042 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.325 6.865 11.116 1.00 14.12 C ATOM 0 H LEU A 55 15.651 5.163 7.211 1.00 5.54 H new ATOM 0 HA LEU A 55 15.703 5.632 10.134 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.733 4.918 8.358 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.925 6.653 8.508 1.00 4.21 H new ATOM 0 HG LEU A 55 17.775 4.815 10.906 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.232 4.942 10.986 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.660 4.126 9.512 1.00 50.42 H new ATOM 0 HD13 LEU A 55 20.233 5.808 9.431 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.873 6.705 12.044 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.819 7.642 10.532 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.306 7.176 11.346 1.00 14.12 H new ATOM 797 N HIS A 56 14.871 7.937 9.862 1.00 5.15 N ATOM 798 CA HIS A 56 14.432 9.325 9.776 1.00 13.42 C ATOM 799 C HIS A 56 15.366 10.240 10.562 1.00 51.22 C ATOM 800 O HIS A 56 15.562 10.061 11.763 1.00 34.12 O ATOM 801 CB HIS A 56 13.002 9.464 10.302 1.00 32.12 C ATOM 802 CG HIS A 56 12.540 10.883 10.412 1.00 53.30 C ATOM 803 ND1 HIS A 56 12.825 11.845 9.465 1.00 23.11 N ATOM 804 CD2 HIS A 56 11.806 11.504 11.366 1.00 72.43 C ATOM 805 CE1 HIS A 56 12.288 12.995 9.832 1.00 1.32 C ATOM 806 NE2 HIS A 56 11.665 12.814 10.982 1.00 3.25 N ATOM 0 H HIS A 56 14.555 7.446 10.698 1.00 5.15 H new ATOM 0 HA HIS A 56 14.456 9.623 8.728 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.326 8.921 9.641 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.937 8.992 11.282 1.00 32.12 H new ATOM 0 HD2 HIS A 56 11.406 11.052 12.262 1.00 72.43 H new ATOM 0 HE1 HIS A 56 12.348 13.924 9.285 1.00 1.32 H new ATOM 0 HE2 HIS A 56 11.160 13.532 11.501 1.00 3.25 H new ATOM 814 N GLY A 57 15.942 11.222 9.875 1.00 61.41 N ATOM 815 CA GLY A 57 16.849 12.150 10.524 1.00 74.22 C ATOM 816 C GLY A 57 18.165 12.287 9.785 1.00 32.15 C ATOM 817 O GLY A 57 19.052 13.026 10.214 1.00 74.24 O ATOM 0 H GLY A 57 15.796 11.391 8.880 1.00 61.41 H new ATOM 0 HA2 GLY A 57 16.373 13.128 10.596 1.00 74.22 H new ATOM 0 HA3 GLY A 57 17.041 11.813 11.543 1.00 74.22 H new ATOM 821 N LEU A 58 18.295 11.572 8.674 1.00 71.24 N ATOM 822 CA LEU A 58 19.515 11.614 7.875 1.00 13.14 C ATOM 823 C LEU A 58 19.361 12.575 6.700 1.00 72.13 C ATOM 824 O LEU A 58 20.345 13.119 6.196 1.00 54.40 O ATOM 825 CB LEU A 58 19.861 10.216 7.362 1.00 52.25 C ATOM 826 CG LEU A 58 20.046 9.137 8.429 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.537 7.842 7.800 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.014 9.610 9.504 1.00 33.14 C ATOM 0 H LEU A 58 17.571 10.956 8.305 1.00 71.24 H new ATOM 0 HA LEU A 58 20.325 11.971 8.511 1.00 13.14 H new ATOM 0 HB2 LEU A 58 19.072 9.895 6.682 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.779 10.282 6.777 1.00 52.25 H new ATOM 0 HG LEU A 58 19.080 8.946 8.896 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.663 7.086 8.575 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.808 7.494 7.068 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.492 8.017 7.305 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.134 8.829 10.255 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.981 9.830 9.052 1.00 33.14 H new ATOM 0 HD23 LEU A 58 20.622 10.511 9.976 1.00 33.14 H new ATOM 840 N THR A 59 18.121 12.784 6.270 1.00 63.43 N ATOM 841 CA THR A 59 17.838 13.680 5.155 1.00 22.11 C ATOM 842 C THR A 59 18.328 15.093 5.449 1.00 64.24 C ATOM 843 O THR A 59 18.010 15.670 6.490 1.00 72.41 O ATOM 844 CB THR A 59 16.331 13.727 4.840 1.00 73.42 C ATOM 845 OG1 THR A 59 15.582 13.877 6.051 1.00 35.32 O ATOM 846 CG2 THR A 59 15.891 12.462 4.119 1.00 74.22 C ATOM 0 H THR A 59 17.296 12.345 6.677 1.00 63.43 H new ATOM 0 HA THR A 59 18.370 13.286 4.289 1.00 22.11 H new ATOM 0 HB THR A 59 16.144 14.582 4.190 1.00 73.42 H new ATOM 0 HG1 THR A 59 16.027 14.528 6.633 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.823 12.517 3.907 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.443 12.366 3.184 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.091 11.596 4.749 1.00 74.22 H new ATOM 854 N THR A 60 19.107 15.648 4.525 1.00 12.24 N ATOM 855 CA THR A 60 19.642 16.995 4.685 1.00 43.44 C ATOM 856 C THR A 60 19.842 17.670 3.333 1.00 34.10 C ATOM 857 O THR A 60 19.646 17.055 2.286 1.00 22.23 O ATOM 858 CB THR A 60 20.983 16.980 5.442 1.00 21.12 C ATOM 859 OG1 THR A 60 21.880 16.045 4.832 1.00 74.34 O ATOM 860 CG2 THR A 60 20.776 16.612 6.904 1.00 41.12 C ATOM 0 H THR A 60 19.381 15.185 3.658 1.00 12.24 H new ATOM 0 HA THR A 60 18.912 17.559 5.266 1.00 43.44 H new ATOM 0 HB THR A 60 21.413 17.980 5.393 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.731 16.043 5.318 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.737 16.608 7.418 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.117 17.342 7.373 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.325 15.622 6.970 1.00 41.12 H new ATOM 868 N GLU A 61 20.234 18.941 3.364 1.00 14.50 N ATOM 869 CA GLU A 61 20.461 19.699 2.140 1.00 24.54 C ATOM 870 C GLU A 61 21.629 19.120 1.348 1.00 54.52 C ATOM 871 O GLU A 61 21.806 19.425 0.170 1.00 63.11 O ATOM 872 CB GLU A 61 20.732 21.170 2.467 1.00 35.23 C ATOM 873 CG GLU A 61 21.938 21.380 3.368 1.00 25.21 C ATOM 874 CD GLU A 61 22.212 22.845 3.643 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.393 23.482 4.339 1.00 33.30 O ATOM 876 OE2 GLU A 61 23.246 23.356 3.163 1.00 13.54 O1- ATOM 0 H GLU A 61 20.400 19.466 4.223 1.00 14.50 H new ATOM 0 HA GLU A 61 19.561 19.629 1.529 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.883 21.718 1.537 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.851 21.595 2.948 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.776 20.861 4.313 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.816 20.931 2.904 1.00 25.21 H new ATOM 883 N GLU A 62 22.424 18.280 2.006 1.00 72.32 N ATOM 884 CA GLU A 62 23.575 17.658 1.364 1.00 31.42 C ATOM 885 C GLU A 62 23.133 16.699 0.263 1.00 1.45 C ATOM 886 O GLU A 62 23.940 16.268 -0.560 1.00 71.41 O ATOM 887 CB GLU A 62 24.421 16.910 2.396 1.00 1.21 C ATOM 888 CG GLU A 62 25.644 17.685 2.857 1.00 10.03 C ATOM 889 CD GLU A 62 26.524 18.127 1.704 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.985 17.251 0.942 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.751 19.346 1.564 1.00 75.13 O ATOM 0 H GLU A 62 22.291 18.016 2.982 1.00 72.32 H new ATOM 0 HA GLU A 62 24.177 18.448 0.914 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.801 16.677 3.262 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.743 15.960 1.970 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.323 18.561 3.421 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.227 17.065 3.537 1.00 10.03 H new ATOM 898 N GLU A 63 21.845 16.369 0.256 1.00 1.55 N ATOM 899 CA GLU A 63 21.295 15.460 -0.743 1.00 2.15 C ATOM 900 C GLU A 63 21.358 16.080 -2.136 1.00 33.05 C ATOM 901 O GLU A 63 21.194 15.390 -3.143 1.00 33.04 O ATOM 902 CB GLU A 63 19.849 15.101 -0.397 1.00 4.33 C ATOM 903 CG GLU A 63 18.875 16.251 -0.587 1.00 54.34 C ATOM 904 CD GLU A 63 17.524 15.982 0.049 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.443 15.079 0.908 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.549 16.674 -0.312 1.00 12.13 O1- ATOM 0 H GLU A 63 21.164 16.717 0.930 1.00 1.55 H new ATOM 0 HA GLU A 63 21.897 14.552 -0.741 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.533 14.262 -1.017 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.805 14.766 0.639 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.301 17.158 -0.157 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.740 16.436 -1.653 1.00 54.34 H new ATOM 913 N PHE A 64 21.595 17.387 -2.186 1.00 14.24 N ATOM 914 CA PHE A 64 21.678 18.101 -3.454 1.00 42.31 C ATOM 915 C PHE A 64 23.089 18.028 -4.029 1.00 11.50 C ATOM 916 O PHE A 64 23.691 19.050 -4.358 1.00 32.43 O ATOM 917 CB PHE A 64 21.265 19.563 -3.268 1.00 12.40 C ATOM 918 CG PHE A 64 19.778 19.763 -3.195 1.00 41.53 C ATOM 919 CD1 PHE A 64 18.950 19.270 -4.190 1.00 43.22 C ATOM 920 CD2 PHE A 64 19.209 20.442 -2.131 1.00 45.43 C ATOM 921 CE1 PHE A 64 17.582 19.451 -4.126 1.00 2.15 C ATOM 922 CE2 PHE A 64 17.841 20.627 -2.060 1.00 42.01 C ATOM 923 CZ PHE A 64 17.026 20.131 -3.060 1.00 13.33 C ATOM 0 H PHE A 64 21.733 17.973 -1.362 1.00 14.24 H new ATOM 0 HA PHE A 64 20.994 17.624 -4.156 1.00 42.31 H new ATOM 0 HB2 PHE A 64 21.720 19.947 -2.355 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.662 20.152 -4.095 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.379 18.738 -5.026 1.00 43.22 H new ATOM 0 HD2 PHE A 64 19.842 20.832 -1.347 1.00 45.43 H new ATOM 0 HE1 PHE A 64 16.948 19.061 -4.909 1.00 2.15 H new ATOM 0 HE2 PHE A 64 17.410 21.158 -1.224 1.00 42.01 H new ATOM 0 HZ PHE A 64 15.957 20.275 -3.008 1.00 13.33 H new ATOM 933 N VAL A 65 23.611 16.812 -4.146 1.00 14.35 N ATOM 934 CA VAL A 65 24.951 16.603 -4.681 1.00 53.13 C ATOM 935 C VAL A 65 24.913 15.745 -5.941 1.00 62.20 C ATOM 936 O VAL A 65 23.841 15.368 -6.413 1.00 61.02 O ATOM 937 CB VAL A 65 25.872 15.932 -3.645 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.135 16.871 -2.476 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.264 14.624 -3.161 1.00 75.10 C ATOM 0 H VAL A 65 23.126 15.956 -3.877 1.00 14.35 H new ATOM 0 HA VAL A 65 25.349 17.587 -4.927 1.00 53.13 H new ATOM 0 HB VAL A 65 26.826 15.709 -4.123 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.788 16.380 -1.754 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.615 17.779 -2.840 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.191 17.127 -1.996 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.928 14.163 -2.429 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.296 14.821 -2.700 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.132 13.949 -4.007 1.00 75.10 H new ATOM 949 N GLU A 66 26.090 15.442 -6.480 1.00 2.51 N ATOM 950 CA GLU A 66 26.190 14.628 -7.685 1.00 74.43 C ATOM 951 C GLU A 66 25.367 13.350 -7.550 1.00 23.21 C ATOM 952 O GLU A 66 24.594 13.000 -8.440 1.00 2.04 O ATOM 953 CB GLU A 66 27.652 14.277 -7.971 1.00 20.43 C ATOM 954 CG GLU A 66 28.517 15.486 -8.292 1.00 34.14 C ATOM 955 CD GLU A 66 28.563 15.792 -9.775 1.00 41.54 C ATOM 956 OE1 GLU A 66 28.970 14.904 -10.554 1.00 71.33 O ATOM 957 OE2 GLU A 66 28.191 16.921 -10.159 1.00 10.42 O1- ATOM 0 H GLU A 66 26.986 15.748 -6.101 1.00 2.51 H new ATOM 0 HA GLU A 66 25.793 15.209 -8.517 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.069 13.762 -7.106 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.692 13.579 -8.808 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.133 16.355 -7.757 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.530 15.310 -7.929 1.00 34.14 H new ATOM 964 N GLY A 67 25.539 12.658 -6.428 1.00 71.33 N ATOM 965 CA GLY A 67 24.806 11.427 -6.196 1.00 61.34 C ATOM 966 C GLY A 67 25.621 10.403 -5.431 1.00 70.12 C ATOM 967 O GLY A 67 25.085 9.398 -4.964 1.00 52.23 O ATOM 0 H GLY A 67 26.173 12.928 -5.676 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.894 11.649 -5.641 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.501 11.003 -7.153 1.00 61.34 H new ATOM 971 N ILE A 68 26.919 10.657 -5.306 1.00 31.34 N ATOM 972 CA ILE A 68 27.808 9.748 -4.594 1.00 24.21 C ATOM 973 C ILE A 68 27.492 9.726 -3.102 1.00 41.21 C ATOM 974 O ILE A 68 27.534 10.758 -2.432 1.00 52.24 O ATOM 975 CB ILE A 68 29.286 10.138 -4.788 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.607 10.279 -6.277 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.197 9.107 -4.139 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.961 10.898 -6.547 1.00 24.51 C ATOM 0 H ILE A 68 27.378 11.484 -5.688 1.00 31.34 H new ATOM 0 HA ILE A 68 27.645 8.755 -5.013 1.00 24.21 H new ATOM 0 HB ILE A 68 29.459 11.100 -4.305 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.567 9.295 -6.744 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.837 10.888 -6.750 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.237 9.397 -4.285 1.00 43.11 H new ATOM 0 HG22 ILE A 68 29.982 9.052 -3.072 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.025 8.132 -4.594 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.121 10.967 -7.623 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.999 11.896 -6.110 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.740 10.278 -6.103 1.00 24.51 H new ATOM 990 N TYR A 69 27.179 8.541 -2.587 1.00 43.21 N ATOM 991 CA TYR A 69 26.855 8.385 -1.174 1.00 1.03 C ATOM 992 C TYR A 69 27.443 7.089 -0.621 1.00 42.24 C ATOM 993 O TYR A 69 27.189 6.005 -1.146 1.00 25.42 O ATOM 994 CB TYR A 69 25.339 8.396 -0.973 1.00 41.35 C ATOM 995 CG TYR A 69 24.670 9.653 -1.483 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.031 10.903 -0.996 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.677 9.590 -2.452 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.423 12.053 -1.459 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.063 10.735 -2.923 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.440 11.964 -2.422 1.00 22.23 C ATOM 1001 OH TYR A 69 22.831 13.107 -2.887 1.00 34.52 O ATOM 0 H TYR A 69 27.143 7.676 -3.127 1.00 43.21 H new ATOM 0 HA TYR A 69 27.293 9.223 -0.632 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.907 7.533 -1.480 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.121 8.283 0.089 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.801 10.977 -0.242 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.379 8.629 -2.844 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.716 13.017 -1.069 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.294 10.668 -3.678 1.00 73.53 H new ATOM 0 HH TYR A 69 22.162 12.870 -3.563 1.00 34.52 H new ATOM 1011 N LYS A 70 28.230 7.211 0.443 1.00 53.02 N ATOM 1012 CA LYS A 70 28.853 6.052 1.070 1.00 22.35 C ATOM 1013 C LYS A 70 28.314 5.842 2.482 1.00 44.40 C ATOM 1014 O LYS A 70 28.677 6.566 3.410 1.00 32.24 O ATOM 1015 CB LYS A 70 30.373 6.226 1.114 1.00 11.12 C ATOM 1016 CG LYS A 70 30.815 7.667 1.302 1.00 64.32 C ATOM 1017 CD LYS A 70 31.066 8.351 -0.031 1.00 64.11 C ATOM 1018 CE LYS A 70 32.410 9.064 -0.047 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.108 8.902 -1.352 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.451 8.101 0.889 1.00 53.02 H new ATOM 0 HA LYS A 70 28.611 5.173 0.473 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.776 5.622 1.927 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.801 5.841 0.188 1.00 11.12 H new ATOM 0 HG2 LYS A 70 30.051 8.214 1.855 1.00 64.32 H new ATOM 0 HG3 LYS A 70 31.724 7.694 1.903 1.00 64.32 H new ATOM 0 HD2 LYS A 70 31.035 7.612 -0.832 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.270 9.069 -0.229 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.261 10.125 0.156 1.00 50.51 H new ATOM 0 HE3 LYS A 70 33.039 8.672 0.752 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 33.753 9.704 -1.503 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.653 8.016 -1.347 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 32.407 8.873 -2.119 1.00 34.32 H new ATOM 1033 N VAL A 71 27.447 4.847 2.638 1.00 65.12 N ATOM 1034 CA VAL A 71 26.860 4.540 3.937 1.00 43.30 C ATOM 1035 C VAL A 71 27.545 3.339 4.578 1.00 4.12 C ATOM 1036 O VAL A 71 27.909 2.382 3.895 1.00 32.12 O ATOM 1037 CB VAL A 71 25.351 4.255 3.819 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.772 3.876 5.172 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.627 5.460 3.237 1.00 13.51 C ATOM 0 H VAL A 71 27.135 4.239 1.880 1.00 65.12 H new ATOM 0 HA VAL A 71 27.007 5.418 4.566 1.00 43.30 H new ATOM 0 HB VAL A 71 25.209 3.412 3.142 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.705 3.678 5.069 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.272 2.982 5.544 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.923 4.695 5.875 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.562 5.242 3.160 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.775 6.322 3.887 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.025 5.680 2.246 1.00 13.51 H new ATOM 1049 N GLU A 72 27.715 3.395 5.896 1.00 21.11 N ATOM 1050 CA GLU A 72 28.356 2.309 6.629 1.00 23.21 C ATOM 1051 C GLU A 72 27.479 1.844 7.789 1.00 64.10 C ATOM 1052 O GLU A 72 26.879 2.657 8.492 1.00 4.11 O ATOM 1053 CB GLU A 72 29.721 2.758 7.157 1.00 23.23 C ATOM 1054 CG GLU A 72 29.650 3.485 8.490 1.00 11.22 C ATOM 1055 CD GLU A 72 30.819 4.428 8.702 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.013 5.329 7.861 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.537 4.264 9.710 1.00 15.25 O1- ATOM 0 H GLU A 72 27.418 4.179 6.477 1.00 21.11 H new ATOM 0 HA GLU A 72 28.495 1.474 5.943 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.365 1.885 7.263 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.189 3.412 6.421 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.719 4.049 8.543 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.626 2.754 9.298 1.00 11.22 H new ATOM 1064 N ILE A 73 27.409 0.530 7.978 1.00 64.22 N ATOM 1065 CA ILE A 73 26.606 -0.043 9.051 1.00 54.32 C ATOM 1066 C ILE A 73 27.479 -0.797 10.048 1.00 14.42 C ATOM 1067 O ILE A 73 28.373 -1.551 9.661 1.00 11.03 O ATOM 1068 CB ILE A 73 25.533 -1.001 8.500 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.605 -0.260 7.535 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.737 -1.616 9.641 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.832 -0.620 6.083 1.00 1.34 C ATOM 0 H ILE A 73 27.898 -0.156 7.403 1.00 64.22 H new ATOM 0 HA ILE A 73 26.115 0.789 9.557 1.00 54.32 H new ATOM 0 HB ILE A 73 26.029 -1.804 7.954 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.570 -0.480 7.798 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.745 0.814 7.661 1.00 2.33 H new ATOM 0 HG21 ILE A 73 23.983 -2.291 9.236 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.409 -2.173 10.294 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.249 -0.826 10.211 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.140 -0.058 5.456 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.856 -0.375 5.803 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.663 -1.688 5.942 1.00 1.34 H new ATOM 1083 N ASP A 74 27.214 -0.589 11.334 1.00 44.44 N ATOM 1084 CA ASP A 74 27.973 -1.252 12.387 1.00 10.11 C ATOM 1085 C ASP A 74 27.162 -2.382 13.015 1.00 13.42 C ATOM 1086 O ASP A 74 26.235 -2.140 13.789 1.00 64.24 O ATOM 1087 CB ASP A 74 28.381 -0.243 13.462 1.00 20.22 C ATOM 1088 CG ASP A 74 29.876 -0.233 13.709 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.640 -0.334 12.727 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.284 -0.124 14.886 1.00 62.12 O1- ATOM 0 H ASP A 74 26.480 0.033 11.671 1.00 44.44 H new ATOM 0 HA ASP A 74 28.870 -1.679 11.939 1.00 10.11 H new ATOM 0 HB2 ASP A 74 28.059 0.754 13.161 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.864 -0.478 14.392 1.00 20.22 H new ATOM 1095 N THR A 75 27.516 -3.617 12.674 1.00 2.21 N ATOM 1096 CA THR A 75 26.820 -4.784 13.201 1.00 43.11 C ATOM 1097 C THR A 75 27.480 -5.287 14.480 1.00 52.03 C ATOM 1098 O THR A 75 27.244 -6.416 14.911 1.00 42.55 O ATOM 1099 CB THR A 75 26.784 -5.929 12.172 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.098 -6.162 11.652 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.833 -5.602 11.031 1.00 71.34 C ATOM 0 H THR A 75 28.281 -3.835 12.035 1.00 2.21 H new ATOM 0 HA THR A 75 25.800 -4.470 13.421 1.00 43.11 H new ATOM 0 HB THR A 75 26.428 -6.828 12.675 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.409 -7.048 11.934 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.825 -6.426 10.317 1.00 71.34 H new ATOM 0 HG22 THR A 75 24.828 -5.454 11.426 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.164 -4.692 10.531 1.00 71.34 H new ATOM 1109 N LYS A 76 28.307 -4.441 15.086 1.00 11.51 N ATOM 1110 CA LYS A 76 28.999 -4.797 16.318 1.00 2.32 C ATOM 1111 C LYS A 76 28.119 -4.532 17.534 1.00 63.31 C ATOM 1112 O LYS A 76 28.184 -5.254 18.529 1.00 10.13 O ATOM 1113 CB LYS A 76 30.305 -4.008 16.439 1.00 70.33 C ATOM 1114 CG LYS A 76 30.105 -2.560 16.849 1.00 30.31 C ATOM 1115 CD LYS A 76 30.185 -2.391 18.357 1.00 0.13 C ATOM 1116 CE LYS A 76 29.357 -1.205 18.830 1.00 10.32 C ATOM 1117 NZ LYS A 76 30.215 -0.056 19.231 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.514 -3.503 14.743 1.00 11.51 H new ATOM 0 HA LYS A 76 29.226 -5.862 16.282 1.00 2.32 H new ATOM 0 HB2 LYS A 76 30.949 -4.498 17.169 1.00 70.33 H new ATOM 0 HB3 LYS A 76 30.827 -4.037 15.483 1.00 70.33 H new ATOM 0 HG2 LYS A 76 30.862 -1.938 16.372 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.135 -2.211 16.494 1.00 30.31 H new ATOM 0 HD2 LYS A 76 29.833 -3.300 18.845 1.00 0.13 H new ATOM 0 HD3 LYS A 76 31.225 -2.252 18.654 1.00 0.13 H new ATOM 0 HE2 LYS A 76 28.681 -0.893 18.034 1.00 10.32 H new ATOM 0 HE3 LYS A 76 28.737 -1.508 19.674 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 29.614 0.732 19.547 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 30.843 -0.346 20.008 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 30.788 0.250 18.419 1.00 64.52 H new ATOM 1131 N SER A 77 27.294 -3.494 17.446 1.00 12.32 N ATOM 1132 CA SER A 77 26.400 -3.133 18.541 1.00 40.54 C ATOM 1133 C SER A 77 25.055 -3.838 18.401 1.00 72.24 C ATOM 1134 O SER A 77 24.254 -3.866 19.336 1.00 3.31 O ATOM 1135 CB SER A 77 26.193 -1.617 18.579 1.00 24.54 C ATOM 1136 OG SER A 77 26.524 -1.026 17.335 1.00 62.42 O ATOM 0 H SER A 77 27.226 -2.888 16.628 1.00 12.32 H new ATOM 0 HA SER A 77 26.862 -3.454 19.475 1.00 40.54 H new ATOM 0 HB2 SER A 77 25.155 -1.395 18.826 1.00 24.54 H new ATOM 0 HB3 SER A 77 26.808 -1.182 19.367 1.00 24.54 H new ATOM 0 HG SER A 77 26.382 -0.058 17.385 1.00 62.42 H new ATOM 1142 N TYR A 78 24.813 -4.407 17.225 1.00 33.14 N ATOM 1143 CA TYR A 78 23.565 -5.110 16.958 1.00 43.04 C ATOM 1144 C TYR A 78 23.528 -6.450 17.689 1.00 22.45 C ATOM 1145 O TYR A 78 22.491 -6.854 18.216 1.00 1.02 O ATOM 1146 CB TYR A 78 23.389 -5.332 15.455 1.00 4.32 C ATOM 1147 CG TYR A 78 22.154 -6.127 15.100 1.00 61.13 C ATOM 1148 CD1 TYR A 78 20.908 -5.515 15.022 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.230 -7.490 14.843 1.00 52.42 C ATOM 1150 CE1 TYR A 78 19.776 -6.237 14.700 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.104 -8.220 14.518 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.879 -7.590 14.447 1.00 70.05 C ATOM 1153 OH TYR A 78 18.754 -8.314 14.124 1.00 34.34 O ATOM 0 H TYR A 78 25.466 -4.395 16.441 1.00 33.14 H new ATOM 0 HA TYR A 78 22.745 -4.492 17.325 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.343 -4.364 14.956 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.267 -5.849 15.068 1.00 4.32 H new ATOM 0 HD1 TYR A 78 20.824 -4.456 15.217 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.187 -7.988 14.898 1.00 52.42 H new ATOM 0 HE1 TYR A 78 18.816 -5.746 14.646 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.182 -9.279 14.320 1.00 61.52 H new ATOM 0 HH TYR A 78 19.000 -9.251 13.975 1.00 34.34 H new ATOM 1163 N TRP A 79 24.666 -7.133 17.715 1.00 42.11 N ATOM 1164 CA TRP A 79 24.765 -8.427 18.381 1.00 34.33 C ATOM 1165 C TRP A 79 24.869 -8.255 19.892 1.00 45.25 C ATOM 1166 O TRP A 79 24.423 -9.111 20.657 1.00 50.44 O ATOM 1167 CB TRP A 79 25.979 -9.200 17.859 1.00 11.24 C ATOM 1168 CG TRP A 79 27.086 -9.314 18.862 1.00 33.12 C ATOM 1169 CD1 TRP A 79 27.063 -10.018 20.032 1.00 13.21 C ATOM 1170 CD2 TRP A 79 28.379 -8.705 18.784 1.00 23.44 C ATOM 1171 NE1 TRP A 79 28.263 -9.883 20.686 1.00 13.32 N ATOM 1172 CE2 TRP A 79 29.089 -9.083 19.941 1.00 40.35 C ATOM 1173 CE3 TRP A 79 29.007 -7.879 17.848 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 30.392 -8.661 20.185 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 30.302 -7.460 18.093 1.00 22.15 C ATOM 1176 CH2 TRP A 79 30.984 -7.852 19.253 1.00 55.42 C ATOM 0 H TRP A 79 25.533 -6.813 17.283 1.00 42.11 H new ATOM 0 HA TRP A 79 23.859 -8.992 18.160 1.00 34.33 H new ATOM 0 HB2 TRP A 79 25.664 -10.200 17.561 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.358 -8.706 16.964 1.00 11.24 H new ATOM 0 HD1 TRP A 79 26.224 -10.596 20.390 1.00 13.21 H new ATOM 0 HE1 TRP A 79 28.501 -10.309 21.582 1.00 13.32 H new ATOM 0 HE3 TRP A 79 28.491 -7.574 16.950 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 30.918 -8.961 21.079 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 30.797 -6.819 17.378 1.00 22.15 H new ATOM 0 HH2 TRP A 79 31.995 -7.509 19.414 1.00 55.42 H new ATOM 1187 N LYS A 80 25.458 -7.143 20.318 1.00 50.41 N ATOM 1188 CA LYS A 80 25.618 -6.858 21.739 1.00 54.32 C ATOM 1189 C LYS A 80 24.334 -6.281 22.326 1.00 54.00 C ATOM 1190 O LYS A 80 24.159 -6.242 23.544 1.00 50.04 O ATOM 1191 CB LYS A 80 26.774 -5.879 21.956 1.00 61.21 C ATOM 1192 CG LYS A 80 26.371 -4.421 21.824 1.00 73.40 C ATOM 1193 CD LYS A 80 26.090 -3.795 23.180 1.00 71.12 C ATOM 1194 CE LYS A 80 27.364 -3.277 23.829 1.00 24.41 C ATOM 1195 NZ LYS A 80 27.100 -2.674 25.165 1.00 51.34 N1+ ATOM 0 H LYS A 80 25.833 -6.424 19.699 1.00 50.41 H new ATOM 0 HA LYS A 80 25.841 -7.795 22.249 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.195 -6.042 22.948 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.562 -6.096 21.235 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.165 -3.867 21.324 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.484 -4.343 21.195 1.00 73.40 H new ATOM 0 HD2 LYS A 80 25.380 -2.976 23.064 1.00 71.12 H new ATOM 0 HD3 LYS A 80 25.622 -4.532 23.832 1.00 71.12 H new ATOM 0 HE2 LYS A 80 28.077 -4.095 23.934 1.00 24.41 H new ATOM 0 HE3 LYS A 80 27.826 -2.533 23.180 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 27.993 -2.333 25.574 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 26.440 -1.877 25.062 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 26.683 -3.390 25.793 1.00 51.34 H new ATOM 1209 N ALA A 81 23.436 -5.835 21.452 1.00 25.51 N ATOM 1210 CA ALA A 81 22.167 -5.264 21.885 1.00 23.43 C ATOM 1211 C ALA A 81 21.113 -6.349 22.073 1.00 74.11 C ATOM 1212 O ALA A 81 20.392 -6.362 23.071 1.00 11.21 O ATOM 1213 CB ALA A 81 21.686 -4.226 20.881 1.00 4.11 C ATOM 0 H ALA A 81 23.565 -5.859 20.440 1.00 25.51 H new ATOM 0 HA ALA A 81 22.325 -4.777 22.847 1.00 23.43 H new ATOM 0 HB1 ALA A 81 20.737 -3.807 21.217 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.425 -3.429 20.799 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.551 -4.697 19.907 1.00 4.11 H new ATOM 1219 N LEU A 82 21.028 -7.259 21.108 1.00 72.45 N ATOM 1220 CA LEU A 82 20.061 -8.349 21.168 1.00 71.44 C ATOM 1221 C LEU A 82 20.750 -9.671 21.489 1.00 25.04 C ATOM 1222 O LEU A 82 20.147 -10.739 21.383 1.00 54.03 O ATOM 1223 CB LEU A 82 19.309 -8.463 19.841 1.00 34.13 C ATOM 1224 CG LEU A 82 18.678 -7.173 19.314 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.115 -6.348 20.461 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.696 -6.364 18.523 1.00 33.50 C ATOM 0 H LEU A 82 21.617 -7.263 20.275 1.00 72.45 H new ATOM 0 HA LEU A 82 19.350 -8.128 21.964 1.00 71.44 H new ATOM 0 HB2 LEU A 82 19.999 -8.841 19.087 1.00 34.13 H new ATOM 0 HB3 LEU A 82 18.522 -9.209 19.955 1.00 34.13 H new ATOM 0 HG LEU A 82 17.858 -7.439 18.647 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.670 -5.434 20.068 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.354 -6.926 20.985 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.917 -6.092 21.153 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.229 -5.450 18.156 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.537 -6.108 19.167 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.052 -6.954 17.678 1.00 33.50 H new ATOM 1238 N GLY A 83 22.017 -9.592 21.886 1.00 74.52 N ATOM 1239 CA GLY A 83 22.766 -10.790 22.219 1.00 61.44 C ATOM 1240 C GLY A 83 22.778 -11.800 21.089 1.00 64.05 C ATOM 1241 O GLY A 83 22.552 -12.990 21.309 1.00 12.21 O ATOM 0 H GLY A 83 22.538 -8.720 21.983 1.00 74.52 H new ATOM 0 HA2 GLY A 83 23.791 -10.516 22.468 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.334 -11.249 23.108 1.00 61.44 H new ATOM 1245 N ILE A 84 23.042 -11.324 19.877 1.00 55.22 N ATOM 1246 CA ILE A 84 23.082 -12.195 18.708 1.00 13.14 C ATOM 1247 C ILE A 84 24.483 -12.753 18.486 1.00 55.44 C ATOM 1248 O ILE A 84 25.467 -12.199 18.977 1.00 14.52 O ATOM 1249 CB ILE A 84 22.630 -11.452 17.437 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.368 -10.634 17.720 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.385 -12.439 16.306 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.197 -11.471 18.185 1.00 63.44 C ATOM 0 H ILE A 84 23.231 -10.342 19.679 1.00 55.22 H new ATOM 0 HA ILE A 84 22.393 -13.017 18.903 1.00 13.14 H new ATOM 0 HB ILE A 84 23.423 -10.769 17.132 1.00 32.24 H new ATOM 0 HG12 ILE A 84 21.593 -9.885 18.479 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.083 -10.096 16.816 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.066 -11.899 15.414 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.305 -12.982 16.091 1.00 0.21 H new ATOM 0 HG23 ILE A 84 21.608 -13.144 16.600 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.338 -10.825 18.367 1.00 63.44 H new ATOM 0 HD12 ILE A 84 19.945 -12.203 17.417 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.463 -11.989 19.107 1.00 63.44 H new ATOM 1264 N SER A 85 24.567 -13.849 17.740 1.00 21.13 N ATOM 1265 CA SER A 85 25.848 -14.484 17.454 1.00 50.52 C ATOM 1266 C SER A 85 26.876 -13.451 17.004 1.00 44.03 C ATOM 1267 O SER A 85 26.539 -12.350 16.567 1.00 31.33 O ATOM 1268 CB SER A 85 25.681 -15.557 16.377 1.00 54.22 C ATOM 1269 OG SER A 85 25.518 -16.840 16.957 1.00 53.22 O ATOM 0 H SER A 85 23.762 -14.316 17.322 1.00 21.13 H new ATOM 0 HA SER A 85 26.206 -14.953 18.370 1.00 50.52 H new ATOM 0 HB2 SER A 85 24.816 -15.322 15.756 1.00 54.22 H new ATOM 0 HB3 SER A 85 26.552 -15.558 15.722 1.00 54.22 H new ATOM 0 HG SER A 85 25.411 -17.508 16.248 1.00 53.22 H new ATOM 1275 N PRO A 86 28.163 -13.814 17.110 1.00 0.11 N ATOM 1276 CA PRO A 86 29.269 -12.934 16.718 1.00 54.45 C ATOM 1277 C PRO A 86 29.347 -12.740 15.207 1.00 45.13 C ATOM 1278 O PRO A 86 28.957 -13.617 14.438 1.00 52.05 O ATOM 1279 CB PRO A 86 30.508 -13.673 17.227 1.00 32.51 C ATOM 1280 CG PRO A 86 30.102 -15.105 17.275 1.00 54.43 C ATOM 1281 CD PRO A 86 28.639 -15.110 17.622 1.00 54.42 C ATOM 0 HA PRO A 86 29.157 -11.930 17.128 1.00 54.45 H new ATOM 0 HB2 PRO A 86 31.358 -13.525 16.562 1.00 32.51 H new ATOM 0 HB3 PRO A 86 30.807 -13.313 18.211 1.00 32.51 H new ATOM 0 HG2 PRO A 86 30.277 -15.592 16.316 1.00 54.43 H new ATOM 0 HG3 PRO A 86 30.682 -15.650 18.020 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.117 -15.944 17.152 1.00 54.42 H new ATOM 0 HD3 PRO A 86 28.481 -15.200 18.697 1.00 54.42 H new ATOM 1289 N MET A 87 29.855 -11.584 14.790 1.00 52.20 N ATOM 1290 CA MET A 87 29.986 -11.277 13.371 1.00 11.03 C ATOM 1291 C MET A 87 30.722 -9.956 13.167 1.00 60.21 C ATOM 1292 O MET A 87 30.333 -8.925 13.717 1.00 33.13 O ATOM 1293 CB MET A 87 28.606 -11.211 12.711 1.00 52.31 C ATOM 1294 CG MET A 87 28.662 -11.040 11.203 1.00 30.23 C ATOM 1295 SD MET A 87 28.708 -12.615 10.325 1.00 71.42 S ATOM 1296 CE MET A 87 30.459 -12.754 9.973 1.00 23.32 C ATOM 0 H MET A 87 30.182 -10.846 15.414 1.00 52.20 H new ATOM 0 HA MET A 87 30.566 -12.073 12.905 1.00 11.03 H new ATOM 0 HB2 MET A 87 28.056 -12.123 12.945 1.00 52.31 H new ATOM 0 HB3 MET A 87 28.045 -10.381 13.142 1.00 52.31 H new ATOM 0 HG2 MET A 87 27.793 -10.470 10.874 1.00 30.23 H new ATOM 0 HG3 MET A 87 29.544 -10.456 10.940 1.00 30.23 H new ATOM 0 HE1 MET A 87 30.621 -13.547 9.243 1.00 23.32 H new ATOM 0 HE2 MET A 87 30.825 -11.809 9.571 1.00 23.32 H new ATOM 0 HE3 MET A 87 30.997 -12.991 10.891 1.00 23.32 H new ATOM 1306 N HIS A 88 31.787 -9.994 12.373 1.00 53.41 N ATOM 1307 CA HIS A 88 32.578 -8.800 12.096 1.00 33.42 C ATOM 1308 C HIS A 88 31.684 -7.650 11.641 1.00 73.05 C ATOM 1309 O HIS A 88 30.528 -7.858 11.274 1.00 73.13 O ATOM 1310 CB HIS A 88 33.630 -9.096 11.027 1.00 42.20 C ATOM 1311 CG HIS A 88 34.894 -9.682 11.579 1.00 1.22 C ATOM 1312 ND1 HIS A 88 34.976 -10.255 12.829 1.00 11.32 N ATOM 1313 CD2 HIS A 88 36.132 -9.781 11.039 1.00 14.24 C ATOM 1314 CE1 HIS A 88 36.209 -10.681 13.036 1.00 62.14 C ATOM 1315 NE2 HIS A 88 36.931 -10.406 11.965 1.00 62.24 N ATOM 0 H HIS A 88 32.122 -10.839 11.910 1.00 53.41 H new ATOM 0 HA HIS A 88 33.080 -8.505 13.017 1.00 33.42 H new ATOM 0 HB2 HIS A 88 33.209 -9.785 10.295 1.00 42.20 H new ATOM 0 HB3 HIS A 88 33.868 -8.174 10.497 1.00 42.20 H new ATOM 0 HD2 HIS A 88 36.435 -9.433 10.062 1.00 14.24 H new ATOM 0 HE1 HIS A 88 36.566 -11.171 13.930 1.00 62.14 H new ATOM 0 HE2 HIS A 88 37.921 -10.622 11.845 1.00 62.24 H new ATOM 1323 N GLU A 89 32.228 -6.437 11.670 1.00 70.23 N ATOM 1324 CA GLU A 89 31.478 -5.255 11.263 1.00 14.34 C ATOM 1325 C GLU A 89 30.843 -5.459 9.891 1.00 75.32 C ATOM 1326 O GLU A 89 31.252 -6.336 9.130 1.00 72.42 O ATOM 1327 CB GLU A 89 32.391 -4.028 11.237 1.00 53.11 C ATOM 1328 CG GLU A 89 32.707 -3.474 12.616 1.00 61.24 C ATOM 1329 CD GLU A 89 33.791 -4.262 13.327 1.00 1.31 C ATOM 1330 OE1 GLU A 89 34.983 -3.959 13.110 1.00 3.31 O1- ATOM 1331 OE2 GLU A 89 33.447 -5.181 14.098 1.00 4.11 O ATOM 0 H GLU A 89 33.184 -6.248 11.971 1.00 70.23 H new ATOM 0 HA GLU A 89 30.684 -5.092 11.991 1.00 14.34 H new ATOM 0 HB2 GLU A 89 33.324 -4.290 10.738 1.00 53.11 H new ATOM 0 HB3 GLU A 89 31.919 -3.247 10.641 1.00 53.11 H new ATOM 0 HG2 GLU A 89 33.021 -2.434 12.523 1.00 61.24 H new ATOM 0 HG3 GLU A 89 31.801 -3.480 13.222 1.00 61.24 H new ATOM 1338 N HIS A 90 29.839 -4.644 9.583 1.00 74.52 N ATOM 1339 CA HIS A 90 29.147 -4.735 8.301 1.00 55.24 C ATOM 1340 C HIS A 90 29.909 -3.981 7.217 1.00 4.33 C ATOM 1341 O HIS A 90 30.903 -3.310 7.496 1.00 31.43 O ATOM 1342 CB HIS A 90 27.728 -4.179 8.425 1.00 13.21 C ATOM 1343 CG HIS A 90 26.731 -4.884 7.558 1.00 63.34 C ATOM 1344 ND1 HIS A 90 26.744 -6.247 7.352 1.00 35.31 N ATOM 1345 CD2 HIS A 90 25.684 -4.407 6.843 1.00 64.40 C ATOM 1346 CE1 HIS A 90 25.750 -6.579 6.547 1.00 72.11 C ATOM 1347 NE2 HIS A 90 25.091 -5.480 6.224 1.00 23.52 N ATOM 0 H HIS A 90 29.487 -3.914 10.202 1.00 74.52 H new ATOM 0 HA HIS A 90 29.095 -5.786 8.017 1.00 55.24 H new ATOM 0 HB2 HIS A 90 27.408 -4.251 9.465 1.00 13.21 H new ATOM 0 HB3 HIS A 90 27.738 -3.120 8.167 1.00 13.21 H new ATOM 0 HD2 HIS A 90 25.373 -3.375 6.773 1.00 64.40 H new ATOM 0 HE1 HIS A 90 25.516 -7.578 6.210 1.00 72.11 H new ATOM 0 HE2 HIS A 90 24.275 -5.436 5.614 1.00 23.52 H new ATOM 1355 N ALA A 91 29.439 -4.098 5.979 1.00 73.52 N ATOM 1356 CA ALA A 91 30.076 -3.427 4.853 1.00 22.23 C ATOM 1357 C ALA A 91 29.460 -2.052 4.614 1.00 61.21 C ATOM 1358 O ALA A 91 28.689 -1.556 5.435 1.00 23.03 O ATOM 1359 CB ALA A 91 29.967 -4.281 3.599 1.00 3.52 C ATOM 0 H ALA A 91 28.619 -4.652 5.731 1.00 73.52 H new ATOM 0 HA ALA A 91 31.130 -3.288 5.094 1.00 22.23 H new ATOM 0 HB1 ALA A 91 30.447 -3.767 2.766 1.00 3.52 H new ATOM 0 HB2 ALA A 91 30.460 -5.239 3.767 1.00 3.52 H new ATOM 0 HB3 ALA A 91 28.916 -4.450 3.364 1.00 3.52 H new ATOM 1365 N GLU A 92 29.807 -1.442 3.484 1.00 73.32 N ATOM 1366 CA GLU A 92 29.288 -0.123 3.139 1.00 2.25 C ATOM 1367 C GLU A 92 28.804 -0.091 1.693 1.00 25.30 C ATOM 1368 O GLU A 92 29.263 -0.867 0.855 1.00 13.50 O ATOM 1369 CB GLU A 92 30.363 0.944 3.353 1.00 43.31 C ATOM 1370 CG GLU A 92 31.716 0.570 2.773 1.00 22.11 C ATOM 1371 CD GLU A 92 32.807 1.551 3.155 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.541 2.438 3.993 1.00 61.05 O ATOM 1373 OE2 GLU A 92 33.927 1.432 2.617 1.00 32.20 O1- ATOM 0 H GLU A 92 30.444 -1.839 2.793 1.00 73.32 H new ATOM 0 HA GLU A 92 28.441 0.089 3.792 1.00 2.25 H new ATOM 0 HB2 GLU A 92 30.030 1.879 2.902 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.473 1.127 4.422 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.992 -0.426 3.118 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.640 0.522 1.687 1.00 22.11 H new ATOM 1380 N VAL A 93 27.872 0.813 1.406 1.00 70.21 N ATOM 1381 CA VAL A 93 27.325 0.948 0.061 1.00 61.32 C ATOM 1382 C VAL A 93 27.839 2.213 -0.616 1.00 43.24 C ATOM 1383 O VAL A 93 27.472 3.327 -0.238 1.00 3.54 O ATOM 1384 CB VAL A 93 25.785 0.979 0.082 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.232 0.982 -1.335 1.00 24.13 C ATOM 1386 CG2 VAL A 93 25.240 -0.198 0.876 1.00 41.15 C ATOM 0 H VAL A 93 27.480 1.463 2.087 1.00 70.21 H new ATOM 0 HA VAL A 93 27.655 0.077 -0.505 1.00 61.32 H new ATOM 0 HB VAL A 93 25.463 1.897 0.573 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.143 1.004 -1.300 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.596 1.862 -1.866 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.560 0.082 -1.856 1.00 24.13 H new ATOM 0 HG21 VAL A 93 24.151 -0.161 0.881 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.569 -1.130 0.417 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.609 -0.148 1.900 1.00 41.15 H new ATOM 1396 N VAL A 94 28.692 2.036 -1.621 1.00 55.22 N ATOM 1397 CA VAL A 94 29.256 3.164 -2.352 1.00 54.44 C ATOM 1398 C VAL A 94 28.858 3.118 -3.824 1.00 72.33 C ATOM 1399 O VAL A 94 29.299 2.244 -4.571 1.00 31.22 O ATOM 1400 CB VAL A 94 30.793 3.188 -2.248 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.351 4.453 -2.882 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.231 3.072 -0.796 1.00 32.44 C ATOM 0 H VAL A 94 29.007 1.122 -1.947 1.00 55.22 H new ATOM 0 HA VAL A 94 28.854 4.070 -1.897 1.00 54.44 H new ATOM 0 HB VAL A 94 31.190 2.331 -2.793 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.438 4.453 -2.799 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.067 4.488 -3.934 1.00 44.32 H new ATOM 0 HG13 VAL A 94 30.948 5.326 -2.368 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.319 3.091 -0.742 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.825 3.907 -0.226 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.863 2.135 -0.379 1.00 32.44 H new ATOM 1412 N PHE A 95 28.021 4.065 -4.234 1.00 74.21 N ATOM 1413 CA PHE A 95 27.563 4.133 -5.617 1.00 3.42 C ATOM 1414 C PHE A 95 27.766 5.533 -6.189 1.00 14.12 C ATOM 1415 O PHE A 95 27.443 6.532 -5.545 1.00 41.52 O ATOM 1416 CB PHE A 95 26.085 3.743 -5.705 1.00 1.11 C ATOM 1417 CG PHE A 95 25.850 2.262 -5.616 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.325 1.411 -6.601 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.155 1.722 -4.546 1.00 44.02 C ATOM 1420 CE1 PHE A 95 26.109 0.048 -6.521 1.00 25.12 C ATOM 1421 CE2 PHE A 95 24.937 0.359 -4.461 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.415 -0.479 -5.449 1.00 43.33 C ATOM 0 H PHE A 95 27.646 4.796 -3.629 1.00 74.21 H new ATOM 0 HA PHE A 95 28.154 3.431 -6.205 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.538 4.239 -4.903 1.00 1.11 H new ATOM 0 HB3 PHE A 95 25.675 4.112 -6.645 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.870 1.817 -7.440 1.00 70.40 H new ATOM 0 HD2 PHE A 95 24.779 2.372 -3.770 1.00 44.02 H new ATOM 0 HE1 PHE A 95 26.483 -0.605 -7.296 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.393 -0.050 -3.622 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.247 -1.544 -5.384 1.00 43.33 H new ATOM 1432 N THR A 96 28.305 5.598 -7.402 1.00 44.40 N ATOM 1433 CA THR A 96 28.553 6.873 -8.062 1.00 34.31 C ATOM 1434 C THR A 96 27.401 7.248 -8.986 1.00 25.23 C ATOM 1435 O THR A 96 26.781 6.382 -9.603 1.00 11.30 O ATOM 1436 CB THR A 96 29.861 6.839 -8.876 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.142 8.140 -9.405 1.00 53.43 O ATOM 1438 CG2 THR A 96 29.763 5.834 -10.013 1.00 41.12 C ATOM 0 H THR A 96 28.578 4.781 -7.948 1.00 44.40 H new ATOM 0 HA THR A 96 28.642 7.623 -7.276 1.00 34.31 H new ATOM 0 HB THR A 96 30.670 6.535 -8.212 1.00 71.34 H new ATOM 0 HG1 THR A 96 30.976 8.111 -9.920 1.00 53.43 H new ATOM 0 HG21 THR A 96 30.698 5.827 -10.574 1.00 41.12 H new ATOM 0 HG22 THR A 96 29.577 4.840 -9.605 1.00 41.12 H new ATOM 0 HG23 THR A 96 28.944 6.113 -10.676 1.00 41.12 H new ATOM 1446 N ALA A 97 27.120 8.543 -9.078 1.00 2.00 N ATOM 1447 CA ALA A 97 26.043 9.033 -9.931 1.00 54.14 C ATOM 1448 C ALA A 97 26.490 9.114 -11.386 1.00 75.12 C ATOM 1449 O ALA A 97 27.684 9.172 -11.678 1.00 3.52 O ATOM 1450 CB ALA A 97 25.564 10.393 -9.447 1.00 3.33 C ATOM 0 H ALA A 97 27.623 9.272 -8.573 1.00 2.00 H new ATOM 0 HA ALA A 97 25.215 8.327 -9.871 1.00 54.14 H new ATOM 0 HB1 ALA A 97 24.760 10.747 -10.093 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.197 10.307 -8.424 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.392 11.102 -9.476 1.00 3.33 H new ATOM 1456 N ASN A 98 25.522 9.116 -12.298 1.00 61.44 N ATOM 1457 CA ASN A 98 25.816 9.188 -13.725 1.00 5.53 C ATOM 1458 C ASN A 98 26.602 7.962 -14.181 1.00 5.21 C ATOM 1459 O ASN A 98 27.703 8.082 -14.716 1.00 32.32 O ATOM 1460 CB ASN A 98 26.606 10.459 -14.040 1.00 33.23 C ATOM 1461 CG ASN A 98 26.155 11.643 -13.205 1.00 11.24 C ATOM 1462 OD1 ASN A 98 25.025 12.113 -13.334 1.00 54.42 O ATOM 1463 ND2 ASN A 98 27.041 12.130 -12.343 1.00 42.15 N ATOM 0 H ASN A 98 24.528 9.069 -12.074 1.00 61.44 H new ATOM 0 HA ASN A 98 24.869 9.213 -14.265 1.00 5.53 H new ATOM 0 HB2 ASN A 98 27.666 10.277 -13.865 1.00 33.23 H new ATOM 0 HB3 ASN A 98 26.495 10.700 -15.097 1.00 33.23 H new ATOM 0 HD21 ASN A 98 26.795 12.926 -11.754 1.00 42.15 H new ATOM 0 HD22 ASN A 98 27.967 11.708 -12.270 1.00 42.15 H new ATOM 1470 N ASP A 99 26.026 6.784 -13.967 1.00 51.43 N ATOM 1471 CA ASP A 99 26.670 5.536 -14.358 1.00 34.13 C ATOM 1472 C ASP A 99 25.661 4.392 -14.398 1.00 63.24 C ATOM 1473 O ASP A 99 24.453 4.613 -14.300 1.00 54.14 O ATOM 1474 CB ASP A 99 27.804 5.198 -13.389 1.00 61.02 C ATOM 1475 CG ASP A 99 27.306 4.520 -12.127 1.00 31.11 C ATOM 1476 OD1 ASP A 99 26.192 4.858 -11.674 1.00 41.04 O1- ATOM 1477 OD2 ASP A 99 28.029 3.654 -11.593 1.00 64.44 O ATOM 0 H ASP A 99 25.114 6.668 -13.525 1.00 51.43 H new ATOM 0 HA ASP A 99 27.083 5.667 -15.358 1.00 34.13 H new ATOM 0 HB2 ASP A 99 28.522 4.547 -13.888 1.00 61.02 H new ATOM 0 HB3 ASP A 99 28.334 6.112 -13.122 1.00 61.02 H new ATOM 1482 N SER A 100 26.163 3.171 -14.544 1.00 31.43 N ATOM 1483 CA SER A 100 25.305 1.994 -14.602 1.00 54.41 C ATOM 1484 C SER A 100 24.655 1.726 -13.248 1.00 0.22 C ATOM 1485 O SER A 100 25.197 0.996 -12.421 1.00 0.22 O ATOM 1486 CB SER A 100 26.112 0.770 -15.044 1.00 62.41 C ATOM 1487 OG SER A 100 25.297 -0.388 -15.092 1.00 71.24 O ATOM 0 H SER A 100 27.160 2.971 -14.624 1.00 31.43 H new ATOM 0 HA SER A 100 24.518 2.185 -15.331 1.00 54.41 H new ATOM 0 HB2 SER A 100 26.547 0.953 -16.026 1.00 62.41 H new ATOM 0 HB3 SER A 100 26.940 0.608 -14.354 1.00 62.41 H new ATOM 0 HG SER A 100 25.835 -1.155 -15.378 1.00 71.24 H new ATOM 1493 N GLY A 101 23.490 2.327 -13.030 1.00 34.22 N ATOM 1494 CA GLY A 101 22.784 2.143 -11.775 1.00 51.22 C ATOM 1495 C GLY A 101 21.857 3.300 -11.457 1.00 34.21 C ATOM 1496 O GLY A 101 22.098 4.080 -10.535 1.00 62.14 O ATOM 0 H GLY A 101 23.022 2.938 -13.699 1.00 34.22 H new ATOM 0 HA2 GLY A 101 22.206 1.220 -11.819 1.00 51.22 H new ATOM 0 HA3 GLY A 101 23.508 2.029 -10.968 1.00 51.22 H new ATOM 1500 N PRO A 102 20.769 3.423 -12.231 1.00 21.34 N ATOM 1501 CA PRO A 102 19.783 4.491 -12.046 1.00 0.44 C ATOM 1502 C PRO A 102 18.972 4.316 -10.767 1.00 41.02 C ATOM 1503 O PRO A 102 18.801 5.260 -9.995 1.00 2.14 O ATOM 1504 CB PRO A 102 18.879 4.355 -13.275 1.00 64.03 C ATOM 1505 CG PRO A 102 19.009 2.930 -13.686 1.00 43.03 C ATOM 1506 CD PRO A 102 20.418 2.529 -13.347 1.00 62.14 C ATOM 0 HA PRO A 102 20.254 5.469 -11.952 1.00 0.44 H new ATOM 0 HB2 PRO A 102 17.845 4.605 -13.036 1.00 64.03 H new ATOM 0 HB3 PRO A 102 19.193 5.027 -14.073 1.00 64.03 H new ATOM 0 HG2 PRO A 102 18.288 2.305 -13.160 1.00 43.03 H new ATOM 0 HG3 PRO A 102 18.815 2.812 -14.752 1.00 43.03 H new ATOM 0 HD2 PRO A 102 20.478 1.480 -13.056 1.00 62.14 H new ATOM 0 HD3 PRO A 102 21.089 2.663 -14.195 1.00 62.14 H new ATOM 1514 N ARG A 103 18.475 3.103 -10.548 1.00 23.34 N ATOM 1515 CA ARG A 103 17.681 2.805 -9.362 1.00 62.04 C ATOM 1516 C ARG A 103 18.581 2.489 -8.171 1.00 14.33 C ATOM 1517 O ARG A 103 18.657 1.345 -7.723 1.00 52.44 O ATOM 1518 CB ARG A 103 16.743 1.627 -9.633 1.00 30.24 C ATOM 1519 CG ARG A 103 15.536 1.992 -10.481 1.00 22.53 C ATOM 1520 CD ARG A 103 14.381 2.483 -9.623 1.00 52.13 C ATOM 1521 NE ARG A 103 13.679 1.381 -8.969 1.00 1.11 N ATOM 1522 CZ ARG A 103 12.912 0.510 -9.615 1.00 54.03 C ATOM 1523 NH1 ARG A 103 12.750 0.611 -10.928 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 12.306 -0.464 -8.950 1.00 64.44 N ATOM 0 H ARG A 103 18.608 2.311 -11.176 1.00 23.34 H new ATOM 0 HA ARG A 103 17.086 3.686 -9.122 1.00 62.04 H new ATOM 0 HB2 ARG A 103 17.302 0.836 -10.133 1.00 30.24 H new ATOM 0 HB3 ARG A 103 16.399 1.221 -8.682 1.00 30.24 H new ATOM 0 HG2 ARG A 103 15.813 2.766 -11.197 1.00 22.53 H new ATOM 0 HG3 ARG A 103 15.219 1.123 -11.058 1.00 22.53 H new ATOM 0 HD2 ARG A 103 14.758 3.172 -8.867 1.00 52.13 H new ATOM 0 HD3 ARG A 103 13.680 3.042 -10.243 1.00 52.13 H new ATOM 0 HE ARG A 103 13.784 1.275 -7.960 1.00 1.11 H new ATOM 0 HH11 ARG A 103 13.215 1.359 -11.443 1.00 3.14 H new ATOM 0 HH12 ARG A 103 12.161 -0.059 -11.422 1.00 3.14 H new ATOM 0 HH21 ARG A 103 12.428 -0.545 -7.941 1.00 64.44 H new ATOM 0 HH22 ARG A 103 11.717 -1.132 -9.448 1.00 64.44 H new ATOM 1538 N ARG A 104 19.262 3.511 -7.662 1.00 24.02 N ATOM 1539 CA ARG A 104 20.158 3.343 -6.525 1.00 24.20 C ATOM 1540 C ARG A 104 20.037 4.518 -5.559 1.00 1.51 C ATOM 1541 O ARG A 104 20.872 5.422 -5.559 1.00 72.24 O ATOM 1542 CB ARG A 104 21.604 3.208 -7.003 1.00 25.22 C ATOM 1543 CG ARG A 104 21.830 2.029 -7.936 1.00 31.23 C ATOM 1544 CD ARG A 104 23.283 1.579 -7.922 1.00 34.05 C ATOM 1545 NE ARG A 104 23.510 0.435 -8.802 1.00 31.23 N ATOM 1546 CZ ARG A 104 23.148 -0.807 -8.500 1.00 4.22 C ATOM 1547 NH1 ARG A 104 22.547 -1.064 -7.347 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 23.389 -1.795 -9.353 1.00 33.42 N ATOM 0 H ARG A 104 19.210 4.465 -8.020 1.00 24.02 H new ATOM 0 HA ARG A 104 19.870 2.432 -6.000 1.00 24.20 H new ATOM 0 HB2 ARG A 104 21.896 4.126 -7.514 1.00 25.22 H new ATOM 0 HB3 ARG A 104 22.256 3.104 -6.136 1.00 25.22 H new ATOM 0 HG2 ARG A 104 21.188 1.200 -7.639 1.00 31.23 H new ATOM 0 HG3 ARG A 104 21.543 2.306 -8.950 1.00 31.23 H new ATOM 0 HD2 ARG A 104 23.922 2.406 -8.231 1.00 34.05 H new ATOM 0 HD3 ARG A 104 23.571 1.316 -6.904 1.00 34.05 H new ATOM 0 HE ARG A 104 23.971 0.599 -9.697 1.00 31.23 H new ATOM 0 HH11 ARG A 104 22.361 -0.307 -6.689 1.00 33.51 H new ATOM 0 HH12 ARG A 104 22.270 -2.019 -7.118 1.00 33.51 H new ATOM 0 HH21 ARG A 104 23.852 -1.601 -10.241 1.00 33.42 H new ATOM 0 HH22 ARG A 104 23.111 -2.748 -9.121 1.00 33.42 H new ATOM 1562 N TYR A 105 18.992 4.498 -4.740 1.00 3.31 N ATOM 1563 CA TYR A 105 18.761 5.562 -3.770 1.00 51.11 C ATOM 1564 C TYR A 105 18.713 5.007 -2.351 1.00 4.42 C ATOM 1565 O TYR A 105 19.223 5.619 -1.413 1.00 2.22 O ATOM 1566 CB TYR A 105 17.455 6.295 -4.088 1.00 3.13 C ATOM 1567 CG TYR A 105 17.527 7.147 -5.335 1.00 74.50 C ATOM 1568 CD1 TYR A 105 18.546 8.076 -5.508 1.00 22.34 C ATOM 1569 CD2 TYR A 105 16.575 7.025 -6.339 1.00 12.00 C ATOM 1570 CE1 TYR A 105 18.616 8.857 -6.645 1.00 51.10 C ATOM 1571 CE2 TYR A 105 16.637 7.801 -7.481 1.00 50.15 C ATOM 1572 CZ TYR A 105 17.659 8.715 -7.629 1.00 33.34 C ATOM 1573 OH TYR A 105 17.724 9.491 -8.763 1.00 22.10 O ATOM 0 H TYR A 105 18.291 3.757 -4.728 1.00 3.31 H new ATOM 0 HA TYR A 105 19.591 6.265 -3.836 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.656 5.563 -4.204 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.187 6.927 -3.241 1.00 3.13 H new ATOM 0 HD1 TYR A 105 19.297 8.189 -4.740 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.772 6.311 -6.225 1.00 12.00 H new ATOM 0 HE1 TYR A 105 19.415 9.574 -6.763 1.00 51.10 H new ATOM 0 HE2 TYR A 105 15.890 7.692 -8.253 1.00 50.15 H new ATOM 0 HH TYR A 105 16.977 9.267 -9.356 1.00 22.10 H new ATOM 1583 N THR A 106 18.094 3.839 -2.200 1.00 40.24 N ATOM 1584 CA THR A 106 17.977 3.200 -0.896 1.00 32.41 C ATOM 1585 C THR A 106 19.141 2.248 -0.645 1.00 71.02 C ATOM 1586 O THR A 106 19.522 1.474 -1.521 1.00 75.23 O ATOM 1587 CB THR A 106 16.655 2.420 -0.769 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.544 3.303 -0.962 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.548 1.753 0.594 1.00 12.31 C ATOM 0 H THR A 106 17.666 3.317 -2.965 1.00 40.24 H new ATOM 0 HA THR A 106 17.994 3.996 -0.151 1.00 32.41 H new ATOM 0 HB THR A 106 16.641 1.646 -1.536 1.00 75.32 H new ATOM 0 HG1 THR A 106 15.497 3.569 -1.904 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.606 1.208 0.660 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.378 1.059 0.726 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.583 2.513 1.375 1.00 12.31 H new ATOM 1597 N ILE A 107 19.702 2.312 0.559 1.00 54.05 N ATOM 1598 CA ILE A 107 20.822 1.455 0.925 1.00 74.20 C ATOM 1599 C ILE A 107 20.334 0.114 1.466 1.00 63.32 C ATOM 1600 O ILE A 107 19.796 0.038 2.570 1.00 31.52 O ATOM 1601 CB ILE A 107 21.722 2.124 1.981 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.335 3.409 1.419 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.813 1.164 2.433 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.554 4.655 1.772 1.00 32.11 C ATOM 0 H ILE A 107 19.399 2.948 1.296 1.00 54.05 H new ATOM 0 HA ILE A 107 21.402 1.289 0.017 1.00 74.20 H new ATOM 0 HB ILE A 107 21.112 2.382 2.846 1.00 44.44 H new ATOM 0 HG12 ILE A 107 23.354 3.510 1.793 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.401 3.326 0.334 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.440 1.652 3.179 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.358 0.274 2.867 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.424 0.878 1.577 1.00 44.24 H new ATOM 0 HD11 ILE A 107 22.046 5.527 1.341 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.542 4.575 1.374 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.510 4.762 2.856 1.00 32.11 H new ATOM 1616 N ALA A 108 20.529 -0.940 0.681 1.00 21.23 N ATOM 1617 CA ALA A 108 20.113 -2.278 1.082 1.00 2.35 C ATOM 1618 C ALA A 108 21.241 -3.012 1.798 1.00 63.45 C ATOM 1619 O ALA A 108 22.254 -3.357 1.191 1.00 51.45 O ATOM 1620 CB ALA A 108 19.649 -3.072 -0.129 1.00 32.14 C ATOM 0 H ALA A 108 20.972 -0.893 -0.236 1.00 21.23 H new ATOM 0 HA ALA A 108 19.280 -2.179 1.778 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.341 -4.069 0.186 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.806 -2.563 -0.597 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.466 -3.154 -0.845 1.00 32.14 H new ATOM 1626 N ALA A 109 21.059 -3.249 3.094 1.00 63.22 N ATOM 1627 CA ALA A 109 22.061 -3.943 3.892 1.00 54.44 C ATOM 1628 C ALA A 109 21.454 -5.139 4.617 1.00 42.04 C ATOM 1629 O ALA A 109 20.602 -4.981 5.490 1.00 35.23 O ATOM 1630 CB ALA A 109 22.698 -2.987 4.890 1.00 2.42 C ATOM 0 H ALA A 109 20.226 -2.970 3.613 1.00 63.22 H new ATOM 0 HA ALA A 109 22.833 -4.313 3.217 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.444 -3.520 5.479 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.176 -2.167 4.354 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.930 -2.588 5.553 1.00 2.42 H new ATOM 1636 N MET A 110 21.897 -6.337 4.248 1.00 0.21 N ATOM 1637 CA MET A 110 21.396 -7.560 4.865 1.00 34.20 C ATOM 1638 C MET A 110 22.442 -8.168 5.793 1.00 44.24 C ATOM 1639 O MET A 110 23.569 -8.447 5.380 1.00 31.10 O ATOM 1640 CB MET A 110 21.002 -8.574 3.788 1.00 34.11 C ATOM 1641 CG MET A 110 19.690 -8.244 3.094 1.00 44.03 C ATOM 1642 SD MET A 110 19.036 -9.634 2.151 1.00 11.42 S ATOM 1643 CE MET A 110 18.267 -10.596 3.452 1.00 12.22 C ATOM 0 H MET A 110 22.601 -6.487 3.525 1.00 0.21 H new ATOM 0 HA MET A 110 20.516 -7.306 5.456 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.795 -8.626 3.042 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.925 -9.562 4.241 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.956 -7.938 3.839 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.840 -7.395 2.427 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.637 -11.621 3.414 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.510 -10.158 4.420 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.186 -10.595 3.315 1.00 12.22 H new ATOM 1653 N LEU A 111 22.063 -8.370 7.051 1.00 51.13 N ATOM 1654 CA LEU A 111 22.969 -8.946 8.040 1.00 21.14 C ATOM 1655 C LEU A 111 22.948 -10.469 7.975 1.00 54.03 C ATOM 1656 O LEU A 111 22.188 -11.121 8.693 1.00 63.05 O ATOM 1657 CB LEU A 111 22.585 -8.478 9.444 1.00 12.44 C ATOM 1658 CG LEU A 111 22.478 -6.965 9.641 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.571 -6.247 8.865 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.104 -6.468 9.215 1.00 62.42 C ATOM 0 H LEU A 111 21.135 -8.144 7.410 1.00 51.13 H new ATOM 0 HA LEU A 111 23.980 -8.606 7.814 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.627 -8.927 9.706 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.321 -8.865 10.148 1.00 12.44 H new ATOM 0 HG LEU A 111 22.609 -6.745 10.701 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.479 -5.172 9.017 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.547 -6.581 9.217 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.472 -6.473 7.803 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.046 -5.390 9.362 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.943 -6.700 8.162 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.338 -6.958 9.815 1.00 62.42 H new ATOM 1672 N SER A 112 23.788 -11.032 7.113 1.00 54.12 N ATOM 1673 CA SER A 112 23.865 -12.480 6.954 1.00 12.24 C ATOM 1674 C SER A 112 24.714 -13.103 8.058 1.00 22.43 C ATOM 1675 O SER A 112 25.518 -12.435 8.710 1.00 1.40 O ATOM 1676 CB SER A 112 24.448 -12.834 5.585 1.00 43.45 C ATOM 1677 OG SER A 112 23.425 -12.964 4.613 1.00 13.22 O ATOM 0 H SER A 112 24.425 -10.508 6.514 1.00 54.12 H new ATOM 0 HA SER A 112 22.855 -12.883 7.025 1.00 12.24 H new ATOM 0 HB2 SER A 112 25.152 -12.062 5.275 1.00 43.45 H new ATOM 0 HB3 SER A 112 25.008 -13.766 5.655 1.00 43.45 H new ATOM 0 HG SER A 112 23.824 -13.189 3.746 1.00 13.22 H new ATOM 1683 N PRO A 113 24.534 -14.415 8.273 1.00 22.02 N ATOM 1684 CA PRO A 113 25.274 -15.158 9.296 1.00 43.14 C ATOM 1685 C PRO A 113 26.749 -15.319 8.944 1.00 2.12 C ATOM 1686 O PRO A 113 27.234 -14.728 7.978 1.00 12.34 O ATOM 1687 CB PRO A 113 24.577 -16.521 9.319 1.00 50.43 C ATOM 1688 CG PRO A 113 23.978 -16.662 7.962 1.00 10.11 C ATOM 1689 CD PRO A 113 23.594 -15.273 7.533 1.00 23.20 C ATOM 0 HA PRO A 113 25.267 -14.644 10.257 1.00 43.14 H new ATOM 0 HB2 PRO A 113 25.284 -17.324 9.525 1.00 50.43 H new ATOM 0 HB3 PRO A 113 23.813 -16.562 10.095 1.00 50.43 H new ATOM 0 HG2 PRO A 113 24.690 -17.103 7.265 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.108 -17.318 7.986 1.00 10.11 H new ATOM 0 HD2 PRO A 113 23.695 -15.143 6.455 1.00 23.20 H new ATOM 0 HD3 PRO A 113 22.558 -15.046 7.786 1.00 23.20 H new ATOM 1697 N TYR A 114 27.457 -16.122 9.731 1.00 23.50 N ATOM 1698 CA TYR A 114 28.877 -16.358 9.501 1.00 1.14 C ATOM 1699 C TYR A 114 29.085 -17.448 8.454 1.00 43.00 C ATOM 1700 O TYR A 114 29.273 -18.618 8.788 1.00 5.21 O ATOM 1701 CB TYR A 114 29.567 -16.754 10.808 1.00 52.22 C ATOM 1702 CG TYR A 114 31.033 -16.388 10.854 1.00 0.42 C ATOM 1703 CD1 TYR A 114 31.907 -16.817 9.862 1.00 13.42 C ATOM 1704 CD2 TYR A 114 31.545 -15.614 11.888 1.00 43.22 C ATOM 1705 CE1 TYR A 114 33.248 -16.486 9.899 1.00 52.31 C ATOM 1706 CE2 TYR A 114 32.884 -15.278 11.933 1.00 31.41 C ATOM 1707 CZ TYR A 114 33.731 -15.716 10.937 1.00 63.53 C ATOM 1708 OH TYR A 114 35.066 -15.384 10.978 1.00 74.32 O ATOM 0 H TYR A 114 27.071 -16.620 10.533 1.00 23.50 H new ATOM 0 HA TYR A 114 29.318 -15.433 9.130 1.00 1.14 H new ATOM 0 HB2 TYR A 114 29.054 -16.272 11.640 1.00 52.22 H new ATOM 0 HB3 TYR A 114 29.465 -17.830 10.951 1.00 52.22 H new ATOM 0 HD1 TYR A 114 31.531 -17.420 9.048 1.00 13.42 H new ATOM 0 HD2 TYR A 114 30.885 -15.269 12.670 1.00 43.22 H new ATOM 0 HE1 TYR A 114 33.914 -16.828 9.120 1.00 52.31 H new ATOM 0 HE2 TYR A 114 33.266 -14.675 12.744 1.00 31.41 H new ATOM 0 HH TYR A 114 35.243 -14.838 11.772 1.00 74.32 H new ATOM 1718 N SER A 115 29.052 -17.054 7.185 1.00 75.00 N ATOM 1719 CA SER A 115 29.234 -17.997 6.087 1.00 11.22 C ATOM 1720 C SER A 115 30.716 -18.255 5.834 1.00 71.44 C ATOM 1721 O SER A 115 31.553 -17.371 6.016 1.00 23.43 O ATOM 1722 CB SER A 115 28.573 -17.463 4.815 1.00 64.23 C ATOM 1723 OG SER A 115 27.203 -17.177 5.033 1.00 63.14 O ATOM 0 H SER A 115 28.901 -16.089 6.892 1.00 75.00 H new ATOM 0 HA SER A 115 28.761 -18.939 6.366 1.00 11.22 H new ATOM 0 HB2 SER A 115 29.088 -16.561 4.485 1.00 64.23 H new ATOM 0 HB3 SER A 115 28.672 -18.197 4.015 1.00 64.23 H new ATOM 0 HG SER A 115 26.804 -16.836 4.205 1.00 63.14 H new ATOM 1729 N TYR A 116 31.033 -19.475 5.413 1.00 41.15 N ATOM 1730 CA TYR A 116 32.414 -19.853 5.136 1.00 60.33 C ATOM 1731 C TYR A 116 32.881 -19.275 3.804 1.00 73.11 C ATOM 1732 O TYR A 116 33.989 -18.752 3.694 1.00 43.34 O ATOM 1733 CB TYR A 116 32.555 -21.376 5.122 1.00 52.20 C ATOM 1734 CG TYR A 116 33.987 -21.851 5.036 1.00 62.23 C ATOM 1735 CD1 TYR A 116 34.926 -21.468 5.987 1.00 50.21 C ATOM 1736 CD2 TYR A 116 34.403 -22.683 4.004 1.00 64.02 C ATOM 1737 CE1 TYR A 116 36.236 -21.899 5.912 1.00 70.32 C ATOM 1738 CE2 TYR A 116 35.711 -23.119 3.920 1.00 12.14 C ATOM 1739 CZ TYR A 116 36.624 -22.724 4.876 1.00 0.53 C ATOM 1740 OH TYR A 116 37.928 -23.158 4.798 1.00 30.40 O ATOM 0 H TYR A 116 30.353 -20.219 5.256 1.00 41.15 H new ATOM 0 HA TYR A 116 33.041 -19.444 5.928 1.00 60.33 H new ATOM 0 HB2 TYR A 116 32.100 -21.783 6.025 1.00 52.20 H new ATOM 0 HB3 TYR A 116 31.997 -21.776 4.276 1.00 52.20 H new ATOM 0 HD1 TYR A 116 34.626 -20.822 6.799 1.00 50.21 H new ATOM 0 HD2 TYR A 116 33.691 -22.994 3.254 1.00 64.02 H new ATOM 0 HE1 TYR A 116 36.952 -21.592 6.660 1.00 70.32 H new ATOM 0 HE2 TYR A 116 36.017 -23.765 3.111 1.00 12.14 H new ATOM 0 HH TYR A 116 38.035 -23.732 4.011 1.00 30.40 H new ATOM 1750 N SER A 117 32.025 -19.375 2.791 1.00 25.22 N ATOM 1751 CA SER A 117 32.349 -18.866 1.464 1.00 25.44 C ATOM 1752 C SER A 117 32.659 -17.373 1.514 1.00 44.43 C ATOM 1753 O SER A 117 32.268 -16.677 2.452 1.00 74.44 O ATOM 1754 CB SER A 117 31.190 -19.125 0.499 1.00 52.34 C ATOM 1755 OG SER A 117 30.717 -20.455 0.614 1.00 35.54 O ATOM 0 H SER A 117 31.102 -19.804 2.865 1.00 25.22 H new ATOM 0 HA SER A 117 33.235 -19.391 1.107 1.00 25.44 H new ATOM 0 HB2 SER A 117 30.378 -18.428 0.706 1.00 52.34 H new ATOM 0 HB3 SER A 117 31.516 -18.939 -0.524 1.00 52.34 H new ATOM 0 HG SER A 117 29.976 -20.594 -0.012 1.00 35.54 H new ATOM 1761 N THR A 118 33.367 -16.887 0.500 1.00 33.43 N ATOM 1762 CA THR A 118 33.733 -15.478 0.428 1.00 53.23 C ATOM 1763 C THR A 118 32.592 -14.643 -0.142 1.00 74.11 C ATOM 1764 O THR A 118 32.474 -13.452 0.149 1.00 53.14 O ATOM 1765 CB THR A 118 34.990 -15.267 -0.436 1.00 13.15 C ATOM 1766 OG1 THR A 118 34.922 -16.086 -1.609 1.00 55.10 O ATOM 1767 CG2 THR A 118 36.249 -15.602 0.349 1.00 63.23 C ATOM 0 H THR A 118 33.699 -17.449 -0.284 1.00 33.43 H new ATOM 0 HA THR A 118 33.944 -15.154 1.447 1.00 53.23 H new ATOM 0 HB THR A 118 35.031 -14.218 -0.728 1.00 13.15 H new ATOM 0 HG1 THR A 118 35.724 -15.945 -2.154 1.00 55.10 H new ATOM 0 HG21 THR A 118 37.124 -15.445 -0.282 1.00 63.23 H new ATOM 0 HG22 THR A 118 36.314 -14.957 1.225 1.00 63.23 H new ATOM 0 HG23 THR A 118 36.213 -16.644 0.667 1.00 63.23 H new ATOM 1775 N THR A 119 31.752 -15.274 -0.957 1.00 11.45 N ATOM 1776 CA THR A 119 30.620 -14.589 -1.569 1.00 25.02 C ATOM 1777 C THR A 119 31.058 -13.286 -2.228 1.00 41.31 C ATOM 1778 O THR A 119 30.345 -12.283 -2.177 1.00 44.13 O ATOM 1779 CB THR A 119 29.522 -14.284 -0.533 1.00 11.34 C ATOM 1780 OG1 THR A 119 29.912 -13.173 0.282 1.00 72.04 O ATOM 1781 CG2 THR A 119 29.256 -15.497 0.347 1.00 25.02 C ATOM 0 H THR A 119 31.835 -16.259 -1.209 1.00 11.45 H new ATOM 0 HA THR A 119 30.217 -15.259 -2.328 1.00 25.02 H new ATOM 0 HB THR A 119 28.606 -14.036 -1.069 1.00 11.34 H new ATOM 0 HG1 THR A 119 30.875 -13.018 0.185 1.00 72.04 H new ATOM 0 HG21 THR A 119 28.477 -15.258 1.071 1.00 25.02 H new ATOM 0 HG22 THR A 119 28.931 -16.332 -0.273 1.00 25.02 H new ATOM 0 HG23 THR A 119 30.170 -15.771 0.875 1.00 25.02 H new ATOM 1789 N ALA A 120 32.234 -13.306 -2.846 1.00 13.22 N ATOM 1790 CA ALA A 120 32.765 -12.126 -3.518 1.00 52.22 C ATOM 1791 C ALA A 120 33.630 -12.517 -4.711 1.00 55.15 C ATOM 1792 O ALA A 120 34.513 -13.367 -4.599 1.00 65.21 O ATOM 1793 CB ALA A 120 33.562 -11.277 -2.540 1.00 42.50 C ATOM 0 H ALA A 120 32.838 -14.127 -2.895 1.00 13.22 H new ATOM 0 HA ALA A 120 31.925 -11.540 -3.890 1.00 52.22 H new ATOM 0 HB1 ALA A 120 33.953 -10.399 -3.055 1.00 42.50 H new ATOM 0 HB2 ALA A 120 32.915 -10.960 -1.722 1.00 42.50 H new ATOM 0 HB3 ALA A 120 34.390 -11.862 -2.141 1.00 42.50 H new ATOM 1799 N VAL A 121 33.370 -11.891 -5.855 1.00 4.12 N ATOM 1800 CA VAL A 121 34.126 -12.172 -7.069 1.00 43.11 C ATOM 1801 C VAL A 121 35.001 -10.986 -7.460 1.00 30.44 C ATOM 1802 O VAL A 121 34.565 -10.093 -8.188 1.00 24.04 O ATOM 1803 CB VAL A 121 33.192 -12.517 -8.244 1.00 72.25 C ATOM 1804 CG1 VAL A 121 33.997 -12.981 -9.448 1.00 1.23 C ATOM 1805 CG2 VAL A 121 32.181 -13.575 -7.828 1.00 33.31 C ATOM 0 H VAL A 121 32.641 -11.186 -5.966 1.00 4.12 H new ATOM 0 HA VAL A 121 34.761 -13.032 -6.854 1.00 43.11 H new ATOM 0 HB VAL A 121 32.646 -11.617 -8.528 1.00 72.25 H new ATOM 0 HG11 VAL A 121 33.320 -13.220 -10.268 1.00 1.23 H new ATOM 0 HG12 VAL A 121 34.677 -12.188 -9.759 1.00 1.23 H new ATOM 0 HG13 VAL A 121 34.572 -13.868 -9.181 1.00 1.23 H new ATOM 0 HG21 VAL A 121 31.529 -13.807 -8.670 1.00 33.31 H new ATOM 0 HG22 VAL A 121 32.706 -14.478 -7.517 1.00 33.31 H new ATOM 0 HG23 VAL A 121 31.582 -13.200 -6.998 1.00 33.31 H new ATOM 1815 N VAL A 122 36.237 -10.982 -6.972 1.00 21.23 N ATOM 1816 CA VAL A 122 37.174 -9.906 -7.272 1.00 51.40 C ATOM 1817 C VAL A 122 38.315 -10.401 -8.153 1.00 21.04 C ATOM 1818 O VAL A 122 38.553 -11.604 -8.264 1.00 52.34 O ATOM 1819 CB VAL A 122 37.761 -9.299 -5.984 1.00 74.35 C ATOM 1820 CG1 VAL A 122 36.656 -8.707 -5.121 1.00 52.43 C ATOM 1821 CG2 VAL A 122 38.549 -10.345 -5.212 1.00 10.13 C ATOM 0 H VAL A 122 36.613 -11.712 -6.367 1.00 21.23 H new ATOM 0 HA VAL A 122 36.614 -9.138 -7.805 1.00 51.40 H new ATOM 0 HB VAL A 122 38.444 -8.495 -6.261 1.00 74.35 H new ATOM 0 HG11 VAL A 122 37.089 -8.283 -4.215 1.00 52.43 H new ATOM 0 HG12 VAL A 122 36.140 -7.925 -5.677 1.00 52.43 H new ATOM 0 HG13 VAL A 122 35.946 -9.489 -4.852 1.00 52.43 H new ATOM 0 HG21 VAL A 122 38.956 -9.898 -4.305 1.00 10.13 H new ATOM 0 HG22 VAL A 122 37.891 -11.172 -4.945 1.00 10.13 H new ATOM 0 HG23 VAL A 122 39.365 -10.716 -5.832 1.00 10.13 H new ATOM 1831 N THR A 123 39.021 -9.464 -8.780 1.00 54.15 N ATOM 1832 CA THR A 123 40.138 -9.805 -9.652 1.00 30.41 C ATOM 1833 C THR A 123 41.449 -9.248 -9.108 1.00 22.22 C ATOM 1834 O THR A 123 42.494 -9.890 -9.206 1.00 52.11 O ATOM 1835 CB THR A 123 39.919 -9.269 -11.079 1.00 20.34 C ATOM 1836 OG1 THR A 123 38.519 -9.226 -11.377 1.00 33.22 O ATOM 1837 CG2 THR A 123 40.633 -10.142 -12.100 1.00 21.05 C ATOM 0 H THR A 123 38.839 -8.464 -8.700 1.00 54.15 H new ATOM 0 HA THR A 123 40.194 -10.893 -9.685 1.00 30.41 H new ATOM 0 HB THR A 123 40.332 -8.262 -11.133 1.00 20.34 H new ATOM 0 HG1 THR A 123 38.388 -8.882 -12.285 1.00 33.22 H new ATOM 0 HG21 THR A 123 40.464 -9.744 -13.101 1.00 21.05 H new ATOM 0 HG22 THR A 123 41.702 -10.149 -11.888 1.00 21.05 H new ATOM 0 HG23 THR A 123 40.245 -11.159 -12.044 1.00 21.05 H new ATOM 1845 N ASN A 124 41.387 -8.051 -8.535 1.00 75.41 N ATOM 1846 CA ASN A 124 42.570 -7.409 -7.976 1.00 53.22 C ATOM 1847 C ASN A 124 43.635 -7.202 -9.048 1.00 22.31 C ATOM 1848 O ASN A 124 44.666 -7.874 -9.072 1.00 32.20 O ATOM 1849 CB ASN A 124 43.140 -8.249 -6.831 1.00 13.12 C ATOM 1850 CG ASN A 124 44.004 -7.433 -5.889 1.00 63.22 C ATOM 1851 OD1 ASN A 124 45.230 -7.535 -5.910 1.00 54.42 O ATOM 1852 ND2 ASN A 124 43.367 -6.619 -5.057 1.00 64.04 N ATOM 0 H ASN A 124 40.530 -7.506 -8.446 1.00 75.41 H new ATOM 0 HA ASN A 124 42.274 -6.434 -7.590 1.00 53.22 H new ATOM 0 HB2 ASN A 124 42.320 -8.698 -6.270 1.00 13.12 H new ATOM 0 HB3 ASN A 124 43.730 -9.068 -7.243 1.00 13.12 H new ATOM 0 HD21 ASN A 124 43.896 -6.046 -4.400 1.00 64.04 H new ATOM 0 HD22 ASN A 124 42.348 -6.567 -5.075 1.00 64.04 H new ATOM 1859 N PRO A 125 43.382 -6.250 -9.958 1.00 24.52 N ATOM 1860 CA PRO A 125 44.307 -5.931 -11.050 1.00 24.42 C ATOM 1861 C PRO A 125 45.580 -5.255 -10.552 1.00 35.53 C ATOM 1862 O PRO A 125 45.791 -5.116 -9.347 1.00 10.22 O ATOM 1863 CB PRO A 125 43.501 -4.974 -11.931 1.00 72.35 C ATOM 1864 CG PRO A 125 42.510 -4.354 -11.007 1.00 62.25 C ATOM 1865 CD PRO A 125 42.172 -5.410 -9.991 1.00 3.25 C ATOM 0 HA PRO A 125 44.646 -6.826 -11.571 1.00 24.42 H new ATOM 0 HB2 PRO A 125 44.143 -4.220 -12.387 1.00 72.35 H new ATOM 0 HB3 PRO A 125 43.006 -5.506 -12.744 1.00 72.35 H new ATOM 0 HG2 PRO A 125 42.926 -3.469 -10.526 1.00 62.25 H new ATOM 0 HG3 PRO A 125 41.619 -4.034 -11.548 1.00 62.25 H new ATOM 0 HD2 PRO A 125 41.958 -4.975 -9.015 1.00 3.25 H new ATOM 0 HD3 PRO A 125 41.292 -5.983 -10.284 1.00 3.25 H new ATOM 1873 N LYS A 126 46.426 -4.835 -11.487 1.00 63.33 N ATOM 1874 CA LYS A 126 47.678 -4.171 -11.144 1.00 0.11 C ATOM 1875 C LYS A 126 47.432 -3.005 -10.192 1.00 52.52 C ATOM 1876 O LYS A 126 48.293 -2.663 -9.380 1.00 75.10 O ATOM 1877 CB LYS A 126 48.375 -3.670 -12.410 1.00 43.13 C ATOM 1878 CG LYS A 126 47.732 -2.431 -13.011 1.00 31.53 C ATOM 1879 CD LYS A 126 46.395 -2.755 -13.655 1.00 32.21 C ATOM 1880 CE LYS A 126 46.081 -1.801 -14.797 1.00 52.15 C ATOM 1881 NZ LYS A 126 45.485 -0.527 -14.306 1.00 22.22 N1+ ATOM 0 H LYS A 126 46.267 -4.943 -12.489 1.00 63.33 H new ATOM 0 HA LYS A 126 48.321 -4.896 -10.644 1.00 0.11 H new ATOM 0 HB2 LYS A 126 49.417 -3.452 -12.178 1.00 43.13 H new ATOM 0 HB3 LYS A 126 48.374 -4.466 -13.154 1.00 43.13 H new ATOM 0 HG2 LYS A 126 47.590 -1.680 -12.234 1.00 31.53 H new ATOM 0 HG3 LYS A 126 48.400 -1.998 -13.755 1.00 31.53 H new ATOM 0 HD2 LYS A 126 46.408 -3.779 -14.028 1.00 32.21 H new ATOM 0 HD3 LYS A 126 45.606 -2.699 -12.905 1.00 32.21 H new ATOM 0 HE2 LYS A 126 46.994 -1.585 -15.352 1.00 52.15 H new ATOM 0 HE3 LYS A 126 45.392 -2.281 -15.492 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 45.026 -0.031 -15.096 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 44.780 -0.735 -13.571 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 46.233 0.076 -13.908 1.00 22.22 H new ATOM 1895 N GLU A 127 46.252 -2.400 -10.294 1.00 3.11 N ATOM 1896 CA GLU A 127 45.895 -1.274 -9.439 1.00 3.11 C ATOM 1897 C GLU A 127 45.102 -1.744 -8.224 1.00 14.11 C ATOM 1898 O GLU A 127 45.591 -1.696 -7.095 1.00 23.13 O ATOM 1899 CB GLU A 127 45.079 -0.247 -10.228 1.00 11.02 C ATOM 1900 CG GLU A 127 45.933 0.746 -10.999 1.00 14.01 C ATOM 1901 CD GLU A 127 45.112 1.844 -11.646 1.00 3.05 C ATOM 1902 OE1 GLU A 127 43.896 1.638 -11.842 1.00 25.34 O1- ATOM 1903 OE2 GLU A 127 45.685 2.908 -11.957 1.00 15.22 O ATOM 0 H GLU A 127 45.528 -2.671 -10.960 1.00 3.11 H new ATOM 0 HA GLU A 127 46.816 -0.807 -9.091 1.00 3.11 H new ATOM 0 HB2 GLU A 127 44.427 -0.772 -10.926 1.00 11.02 H new ATOM 0 HB3 GLU A 127 44.434 0.299 -9.539 1.00 11.02 H new ATOM 0 HG2 GLU A 127 46.662 1.193 -10.324 1.00 14.01 H new ATOM 0 HG3 GLU A 127 46.494 0.216 -11.769 1.00 14.01 H new TER 1910 GLU A 127