USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 SER OG : rot 128:sc= 0.917 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.308 USER MOD Set 2.1: A 75 THR OG1 : rot 90:sc= 1.46 USER MOD Set 2.2: A 88 HIS : no HE2:sc= -0.153 K(o=1.3,f=-1.4!) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 56 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-2.8) USER MOD Set 4.1: A 31 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.33) USER MOD Set 4.2: A 46 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0721 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.0891 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -39:sc= 0.268 USER MOD Single : A 13 MET CE :methyl 141:sc= -2.55 (180deg=-4.34!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.33! K(o=-3.3!,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc=-0.00747 (180deg=-0.152) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 114:sc= 0.92 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -179:sc= 1.6 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 55:sc= 1.34 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= 0.103 (180deg=0.032) USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= -0.401 (180deg=-4.36!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc= -0.0196 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 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.92) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.96) 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 106 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 110 MET CE :methyl -160:sc= -0.0362 (180deg=-0.732) 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 119 MET CE :methyl -165:sc= -1.71! (180deg=-2!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -2.23! K(o=-2.2!,f=0.04) USER MOD Single : A 126 LYS NZ :NH3+ 140:sc= -0.0988 (180deg=-0.354) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.150 -5.801 -1.932 1.00 74.13 N ATOM 2 CA GLY A 1 -0.048 -6.620 -1.964 1.00 34.14 C ATOM 3 C GLY A 1 -1.003 -6.294 -0.833 1.00 1.51 C ATOM 4 O GLY A 1 -0.680 -5.536 0.081 1.00 72.31 O ATOM 0 H1 GLY A 1 1.177 -5.193 -2.775 1.00 74.13 H new ATOM 0 H2 GLY A 1 1.143 -5.208 -1.077 1.00 74.13 H new ATOM 0 H3 GLY A 1 1.990 -6.414 -1.920 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -0.557 -6.477 -2.917 1.00 34.14 H new ATOM 0 HA3 GLY A 1 0.233 -7.672 -1.907 1.00 34.14 H new ATOM 8 N PRO A 2 -2.211 -6.875 -0.888 1.00 21.03 N ATOM 9 CA PRO A 2 -3.241 -6.656 0.132 1.00 2.31 C ATOM 10 C PRO A 2 -2.883 -7.301 1.466 1.00 61.30 C ATOM 11 O PRO A 2 -3.172 -6.753 2.531 1.00 14.21 O ATOM 12 CB PRO A 2 -4.481 -7.323 -0.469 1.00 23.42 C ATOM 13 CG PRO A 2 -3.944 -8.355 -1.399 1.00 33.11 C ATOM 14 CD PRO A 2 -2.664 -7.791 -1.948 1.00 34.03 C ATOM 0 HA PRO A 2 -3.375 -5.598 0.356 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -5.103 -7.773 0.305 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -5.103 -6.600 -0.997 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -3.764 -9.295 -0.877 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -4.653 -8.566 -2.200 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -1.931 -8.574 -2.142 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -2.827 -7.266 -2.889 1.00 34.03 H new ATOM 22 N THR A 3 -2.252 -8.470 1.402 1.00 23.42 N ATOM 23 CA THR A 3 -1.855 -9.191 2.606 1.00 41.32 C ATOM 24 C THR A 3 -0.447 -9.758 2.468 1.00 20.13 C ATOM 25 O THR A 3 -0.120 -10.400 1.470 1.00 54.11 O ATOM 26 CB THR A 3 -2.831 -10.340 2.920 1.00 33.42 C ATOM 27 OG1 THR A 3 -2.817 -11.298 1.856 1.00 11.12 O ATOM 28 CG2 THR A 3 -4.244 -9.812 3.116 1.00 11.31 C ATOM 0 H THR A 3 -2.005 -8.937 0.530 1.00 23.42 H new ATOM 0 HA THR A 3 -1.875 -8.473 3.426 1.00 41.32 H new ATOM 0 HB THR A 3 -2.509 -10.819 3.844 1.00 33.42 H new ATOM 0 HG1 THR A 3 -1.922 -11.333 1.459 1.00 11.12 H new ATOM 0 HG21 THR A 3 -4.915 -10.642 3.337 1.00 11.31 H new ATOM 0 HG22 THR A 3 -4.256 -9.105 3.945 1.00 11.31 H new ATOM 0 HG23 THR A 3 -4.574 -9.310 2.207 1.00 11.31 H new ATOM 36 N GLY A 4 0.385 -9.516 3.476 1.00 1.33 N ATOM 37 CA GLY A 4 1.749 -10.012 3.447 1.00 1.34 C ATOM 38 C GLY A 4 2.736 -9.030 4.049 1.00 45.41 C ATOM 39 O GLY A 4 3.156 -8.077 3.390 1.00 60.11 O ATOM 0 H GLY A 4 0.139 -8.986 4.312 1.00 1.33 H new ATOM 0 HA2 GLY A 4 1.801 -10.955 3.992 1.00 1.34 H new ATOM 0 HA3 GLY A 4 2.034 -10.223 2.416 1.00 1.34 H new ATOM 43 N THR A 5 3.106 -9.259 5.305 1.00 12.54 N ATOM 44 CA THR A 5 4.046 -8.386 5.996 1.00 74.23 C ATOM 45 C THR A 5 4.546 -9.028 7.284 1.00 64.14 C ATOM 46 O THR A 5 3.786 -9.675 8.004 1.00 14.45 O ATOM 47 CB THR A 5 3.406 -7.025 6.329 1.00 71.41 C ATOM 48 OG1 THR A 5 4.254 -6.291 7.221 1.00 32.23 O ATOM 49 CG2 THR A 5 2.036 -7.210 6.962 1.00 53.45 C ATOM 0 H THR A 5 2.769 -10.042 5.864 1.00 12.54 H new ATOM 0 HA THR A 5 4.887 -8.229 5.321 1.00 74.23 H new ATOM 0 HB THR A 5 3.286 -6.468 5.400 1.00 71.41 H new ATOM 0 HG1 THR A 5 3.842 -5.426 7.427 1.00 32.23 H new ATOM 0 HG21 THR A 5 1.605 -6.235 7.188 1.00 53.45 H new ATOM 0 HG22 THR A 5 1.384 -7.743 6.270 1.00 53.45 H new ATOM 0 HG23 THR A 5 2.135 -7.785 7.883 1.00 53.45 H new ATOM 57 N GLY A 6 5.832 -8.845 7.572 1.00 24.13 N ATOM 58 CA GLY A 6 6.412 -9.412 8.774 1.00 71.40 C ATOM 59 C GLY A 6 7.904 -9.160 8.874 1.00 43.52 C ATOM 60 O GLY A 6 8.578 -8.986 7.859 1.00 52.21 O ATOM 0 H GLY A 6 6.482 -8.313 6.993 1.00 24.13 H new ATOM 0 HA2 GLY A 6 5.916 -8.989 9.647 1.00 71.40 H new ATOM 0 HA3 GLY A 6 6.226 -10.486 8.791 1.00 71.40 H new ATOM 64 N GLU A 7 8.419 -9.138 10.099 1.00 62.41 N ATOM 65 CA GLU A 7 9.840 -8.904 10.326 1.00 61.05 C ATOM 66 C GLU A 7 10.658 -10.145 9.984 1.00 62.33 C ATOM 67 O GLU A 7 10.214 -11.273 10.199 1.00 20.21 O ATOM 68 CB GLU A 7 10.087 -8.501 11.781 1.00 41.31 C ATOM 69 CG GLU A 7 9.745 -9.593 12.781 1.00 34.13 C ATOM 70 CD GLU A 7 10.101 -9.212 14.205 1.00 31.31 C ATOM 71 OE1 GLU A 7 11.010 -8.375 14.386 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 9.470 -9.751 15.138 1.00 50.32 O ATOM 0 H GLU A 7 7.874 -9.279 10.949 1.00 62.41 H new ATOM 0 HA GLU A 7 10.157 -8.091 9.673 1.00 61.05 H new ATOM 0 HB2 GLU A 7 11.135 -8.226 11.900 1.00 41.31 H new ATOM 0 HB3 GLU A 7 9.497 -7.613 12.009 1.00 41.31 H new ATOM 0 HG2 GLU A 7 8.679 -9.812 12.723 1.00 34.13 H new ATOM 0 HG3 GLU A 7 10.274 -10.507 12.510 1.00 34.13 H new ATOM 79 N SER A 8 11.856 -9.929 9.450 1.00 11.13 N ATOM 80 CA SER A 8 12.736 -11.029 9.074 1.00 73.41 C ATOM 81 C SER A 8 14.096 -10.894 9.752 1.00 2.22 C ATOM 82 O SER A 8 14.765 -9.868 9.629 1.00 44.50 O ATOM 83 CB SER A 8 12.913 -11.072 7.554 1.00 62.10 C ATOM 84 OG SER A 8 13.861 -12.056 7.179 1.00 14.33 O ATOM 0 H SER A 8 12.239 -9.002 9.268 1.00 11.13 H new ATOM 0 HA SER A 8 12.275 -11.959 9.406 1.00 73.41 H new ATOM 0 HB2 SER A 8 11.955 -11.285 7.079 1.00 62.10 H new ATOM 0 HB3 SER A 8 13.236 -10.095 7.195 1.00 62.10 H new ATOM 0 HG SER A 8 13.955 -12.065 6.204 1.00 14.33 H new ATOM 90 N LYS A 9 14.498 -11.937 10.469 1.00 44.32 N ATOM 91 CA LYS A 9 15.778 -11.939 11.167 1.00 23.33 C ATOM 92 C LYS A 9 16.937 -11.888 10.179 1.00 33.34 C ATOM 93 O LYS A 9 18.026 -11.416 10.508 1.00 14.24 O ATOM 94 CB LYS A 9 15.900 -13.184 12.049 1.00 44.14 C ATOM 95 CG LYS A 9 15.306 -13.008 13.436 1.00 44.04 C ATOM 96 CD LYS A 9 15.431 -14.277 14.261 1.00 2.52 C ATOM 97 CE LYS A 9 16.886 -14.619 14.543 1.00 53.35 C ATOM 98 NZ LYS A 9 17.017 -15.855 15.361 1.00 32.34 N1+ ATOM 0 H LYS A 9 13.955 -12.793 10.582 1.00 44.32 H new ATOM 0 HA LYS A 9 15.821 -11.050 11.796 1.00 23.33 H new ATOM 0 HB2 LYS A 9 15.405 -14.019 11.554 1.00 44.14 H new ATOM 0 HB3 LYS A 9 16.953 -13.449 12.145 1.00 44.14 H new ATOM 0 HG2 LYS A 9 15.811 -12.189 13.948 1.00 44.04 H new ATOM 0 HG3 LYS A 9 14.255 -12.731 13.350 1.00 44.04 H new ATOM 0 HD2 LYS A 9 14.896 -14.154 15.203 1.00 2.52 H new ATOM 0 HD3 LYS A 9 14.958 -15.104 13.732 1.00 2.52 H new ATOM 0 HE2 LYS A 9 17.418 -14.750 13.600 1.00 53.35 H new ATOM 0 HE3 LYS A 9 17.360 -13.787 15.064 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 18.024 -16.054 15.531 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 16.532 -15.722 16.271 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 16.587 -16.655 14.853 1.00 32.34 H new ATOM 112 N CYS A 10 16.697 -12.374 8.966 1.00 72.52 N ATOM 113 CA CYS A 10 17.721 -12.384 7.928 1.00 50.34 C ATOM 114 C CYS A 10 17.763 -11.048 7.193 1.00 44.02 C ATOM 115 O CYS A 10 16.810 -10.269 7.217 1.00 44.02 O ATOM 116 CB CYS A 10 17.462 -13.519 6.936 1.00 33.40 C ATOM 117 SG CYS A 10 18.534 -14.956 7.162 1.00 22.45 S ATOM 0 H CYS A 10 15.801 -12.767 8.677 1.00 72.52 H new ATOM 0 HA CYS A 10 18.687 -12.545 8.407 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.423 -13.836 7.027 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.592 -13.138 5.923 1.00 33.40 H new ATOM 0 HG CYS A 10 19.734 -14.559 7.464 1.00 22.45 H new ATOM 123 N PRO A 11 18.893 -10.775 6.524 1.00 41.21 N ATOM 124 CA PRO A 11 19.086 -9.533 5.770 1.00 32.44 C ATOM 125 C PRO A 11 18.215 -9.472 4.519 1.00 33.11 C ATOM 126 O PRO A 11 17.653 -8.427 4.192 1.00 40.40 O ATOM 127 CB PRO A 11 20.568 -9.576 5.388 1.00 52.53 C ATOM 128 CG PRO A 11 20.915 -11.026 5.382 1.00 50.33 C ATOM 129 CD PRO A 11 20.068 -11.658 6.451 1.00 12.12 C ATOM 0 HA PRO A 11 18.807 -8.655 6.353 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.738 -9.124 4.411 1.00 52.53 H new ATOM 0 HB3 PRO A 11 21.178 -9.026 6.105 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.712 -11.472 4.408 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.975 -11.174 5.586 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.788 -12.679 6.190 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.594 -11.706 7.404 1.00 12.12 H new ATOM 137 N LEU A 12 18.108 -10.600 3.824 1.00 24.44 N ATOM 138 CA LEU A 12 17.305 -10.675 2.608 1.00 13.33 C ATOM 139 C LEU A 12 16.125 -11.624 2.794 1.00 62.23 C ATOM 140 O LEU A 12 16.249 -12.666 3.436 1.00 61.54 O ATOM 141 CB LEU A 12 18.166 -11.138 1.433 1.00 1.41 C ATOM 142 CG LEU A 12 17.411 -11.545 0.166 1.00 23.13 C ATOM 143 CD1 LEU A 12 16.699 -10.348 -0.440 1.00 43.24 C ATOM 144 CD2 LEU A 12 18.362 -12.171 -0.844 1.00 3.34 C ATOM 0 H LEU A 12 18.567 -11.474 4.081 1.00 24.44 H new ATOM 0 HA LEU A 12 16.917 -9.679 2.395 1.00 13.33 H new ATOM 0 HB2 LEU A 12 18.858 -10.336 1.177 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.768 -11.986 1.761 1.00 1.41 H new ATOM 0 HG LEU A 12 16.661 -12.288 0.437 1.00 23.13 H new ATOM 0 HD11 LEU A 12 16.168 -10.658 -1.340 1.00 43.24 H new ATOM 0 HD12 LEU A 12 15.987 -9.945 0.281 1.00 43.24 H new ATOM 0 HD13 LEU A 12 17.430 -9.581 -0.696 1.00 43.24 H new ATOM 0 HD21 LEU A 12 17.808 -12.454 -1.739 1.00 3.34 H new ATOM 0 HD22 LEU A 12 19.136 -11.451 -1.110 1.00 3.34 H new ATOM 0 HD23 LEU A 12 18.824 -13.057 -0.408 1.00 3.34 H new ATOM 156 N MET A 13 14.982 -11.256 2.225 1.00 42.14 N ATOM 157 CA MET A 13 13.780 -12.076 2.324 1.00 33.41 C ATOM 158 C MET A 13 13.298 -12.504 0.942 1.00 40.04 C ATOM 159 O MET A 13 13.162 -11.681 0.038 1.00 53.03 O ATOM 160 CB MET A 13 12.672 -11.311 3.050 1.00 72.22 C ATOM 161 CG MET A 13 11.818 -12.187 3.951 1.00 31.44 C ATOM 162 SD MET A 13 10.080 -12.192 3.469 1.00 1.33 S ATOM 163 CE MET A 13 10.074 -13.492 2.238 1.00 15.23 C ATOM 0 H MET A 13 14.863 -10.395 1.691 1.00 42.14 H new ATOM 0 HA MET A 13 14.027 -12.970 2.896 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.121 -10.518 3.648 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.031 -10.829 2.312 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.201 -13.207 3.928 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.905 -11.837 4.980 1.00 31.44 H new ATOM 0 HE1 MET A 13 9.163 -14.083 2.337 1.00 15.23 H new ATOM 0 HE2 MET A 13 10.114 -13.050 1.242 1.00 15.23 H new ATOM 0 HE3 MET A 13 10.941 -14.136 2.384 1.00 15.23 H new ATOM 173 N VAL A 14 13.042 -13.799 0.785 1.00 0.34 N ATOM 174 CA VAL A 14 12.573 -14.337 -0.488 1.00 54.11 C ATOM 175 C VAL A 14 11.162 -14.899 -0.361 1.00 75.31 C ATOM 176 O VAL A 14 10.919 -15.830 0.406 1.00 44.51 O ATOM 177 CB VAL A 14 13.511 -15.443 -1.008 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.057 -15.926 -2.379 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.947 -14.945 -1.058 1.00 54.20 C ATOM 0 H VAL A 14 13.151 -14.495 1.523 1.00 0.34 H new ATOM 0 HA VAL A 14 12.568 -13.511 -1.199 1.00 54.11 H new ATOM 0 HB VAL A 14 13.468 -16.286 -0.318 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.731 -16.707 -2.731 1.00 65.25 H new ATOM 0 HG12 VAL A 14 12.045 -16.325 -2.308 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.070 -15.092 -3.081 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.595 -15.740 -1.428 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.011 -14.085 -1.725 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.266 -14.653 -0.057 1.00 54.20 H new ATOM 189 N LYS A 15 10.233 -14.328 -1.121 1.00 45.14 N ATOM 190 CA LYS A 15 8.845 -14.772 -1.096 1.00 34.42 C ATOM 191 C LYS A 15 8.480 -15.490 -2.392 1.00 3.44 C ATOM 192 O LYS A 15 8.628 -14.937 -3.482 1.00 33.44 O ATOM 193 CB LYS A 15 7.910 -13.579 -0.881 1.00 23.14 C ATOM 194 CG LYS A 15 6.535 -13.969 -0.367 1.00 20.51 C ATOM 195 CD LYS A 15 6.444 -13.827 1.143 1.00 21.44 C ATOM 196 CE LYS A 15 6.406 -12.366 1.565 1.00 61.00 C ATOM 197 NZ LYS A 15 5.655 -12.174 2.836 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.417 -13.556 -1.762 1.00 45.14 H new ATOM 0 HA LYS A 15 8.728 -15.471 -0.268 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.371 -12.890 -0.174 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.798 -13.042 -1.823 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.778 -13.342 -0.839 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.318 -14.999 -0.650 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.549 -14.334 1.504 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.299 -14.319 1.608 1.00 21.44 H new ATOM 0 HE2 LYS A 15 7.424 -11.997 1.686 1.00 61.00 H new ATOM 0 HE3 LYS A 15 5.943 -11.772 0.777 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 5.652 -11.165 3.089 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.676 -12.503 2.714 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 6.111 -12.720 3.595 1.00 31.20 H new ATOM 211 N VAL A 16 8.002 -16.724 -2.265 1.00 43.13 N ATOM 212 CA VAL A 16 7.614 -17.515 -3.426 1.00 14.13 C ATOM 213 C VAL A 16 6.101 -17.696 -3.487 1.00 22.53 C ATOM 214 O VAL A 16 5.531 -18.513 -2.761 1.00 43.30 O ATOM 215 CB VAL A 16 8.284 -18.902 -3.409 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.889 -19.702 -4.641 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.796 -18.760 -3.318 1.00 0.34 C ATOM 0 H VAL A 16 7.874 -17.197 -1.370 1.00 43.13 H new ATOM 0 HA VAL A 16 7.948 -16.968 -4.308 1.00 14.13 H new ATOM 0 HB VAL A 16 7.938 -19.443 -2.528 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.372 -20.679 -4.611 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.807 -19.833 -4.658 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.204 -19.169 -5.538 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.254 -19.749 -3.307 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.161 -18.200 -4.179 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.057 -18.229 -2.403 1.00 0.34 H new ATOM 227 N LEU A 17 5.454 -16.929 -4.358 1.00 52.23 N ATOM 228 CA LEU A 17 4.005 -17.005 -4.515 1.00 52.32 C ATOM 229 C LEU A 17 3.635 -17.551 -5.890 1.00 63.31 C ATOM 230 O LEU A 17 4.426 -17.480 -6.831 1.00 71.44 O ATOM 231 CB LEU A 17 3.379 -15.623 -4.316 1.00 44.04 C ATOM 232 CG LEU A 17 2.600 -15.420 -3.016 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.420 -14.612 -2.023 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.268 -14.737 -3.293 1.00 53.44 C ATOM 0 H LEU A 17 5.909 -16.248 -4.966 1.00 52.23 H new ATOM 0 HA LEU A 17 3.616 -17.686 -3.758 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.172 -14.877 -4.361 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.708 -15.426 -5.152 1.00 44.04 H new ATOM 0 HG LEU A 17 2.399 -16.398 -2.579 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.849 -14.478 -1.104 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.347 -15.141 -1.801 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.653 -13.637 -2.451 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.727 -14.601 -2.356 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.446 -13.765 -3.754 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.675 -15.355 -3.967 1.00 53.44 H new ATOM 246 N ASP A 18 2.427 -18.092 -5.999 1.00 52.03 N ATOM 247 CA ASP A 18 1.949 -18.647 -7.260 1.00 1.53 C ATOM 248 C ASP A 18 1.030 -17.661 -7.975 1.00 31.30 C ATOM 249 O ASP A 18 0.131 -17.083 -7.366 1.00 2.31 O ATOM 250 CB ASP A 18 1.212 -19.965 -7.015 1.00 21.40 C ATOM 251 CG ASP A 18 1.166 -20.841 -8.252 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.268 -20.295 -9.371 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.027 -22.073 -8.101 1.00 31.41 O1- ATOM 0 H ASP A 18 1.761 -18.158 -5.230 1.00 52.03 H new ATOM 0 HA ASP A 18 2.814 -18.836 -7.896 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.703 -20.508 -6.207 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.195 -19.753 -6.685 1.00 21.40 H new ATOM 258 N ALA A 19 1.263 -17.474 -9.270 1.00 54.11 N ATOM 259 CA ALA A 19 0.456 -16.560 -10.067 1.00 4.04 C ATOM 260 C ALA A 19 -0.797 -17.250 -10.594 1.00 72.45 C ATOM 261 O ALA A 19 -1.795 -16.597 -10.903 1.00 54.10 O ATOM 262 CB ALA A 19 1.277 -15.999 -11.219 1.00 64.31 C ATOM 0 H ALA A 19 2.005 -17.944 -9.789 1.00 54.11 H new ATOM 0 HA ALA A 19 0.142 -15.737 -9.425 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.662 -15.318 -11.806 1.00 64.31 H new ATOM 0 HB2 ALA A 19 2.138 -15.461 -10.824 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.620 -16.816 -11.853 1.00 64.31 H new ATOM 268 N VAL A 20 -0.740 -18.575 -10.695 1.00 1.32 N ATOM 269 CA VAL A 20 -1.870 -19.354 -11.185 1.00 4.11 C ATOM 270 C VAL A 20 -2.854 -19.660 -10.061 1.00 34.21 C ATOM 271 O VAL A 20 -4.062 -19.742 -10.285 1.00 24.34 O ATOM 272 CB VAL A 20 -1.406 -20.677 -11.821 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.603 -21.543 -12.183 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.544 -20.405 -13.046 1.00 1.33 C ATOM 0 H VAL A 20 0.078 -19.131 -10.444 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.366 -18.750 -11.944 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.802 -21.219 -11.093 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.256 -22.474 -12.631 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.177 -21.765 -11.283 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.235 -21.011 -12.894 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.224 -21.351 -13.483 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.122 -19.843 -13.780 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.332 -19.826 -12.753 1.00 1.33 H new ATOM 284 N ARG A 21 -2.330 -19.829 -8.852 1.00 70.43 N ATOM 285 CA ARG A 21 -3.161 -20.127 -7.693 1.00 40.24 C ATOM 286 C ARG A 21 -3.370 -18.881 -6.838 1.00 25.13 C ATOM 287 O ARG A 21 -4.347 -18.779 -6.098 1.00 25.45 O ATOM 288 CB ARG A 21 -2.523 -21.234 -6.851 1.00 54.04 C ATOM 289 CG ARG A 21 -1.992 -22.396 -7.676 1.00 23.13 C ATOM 290 CD ARG A 21 -1.360 -23.461 -6.794 1.00 70.24 C ATOM 291 NE ARG A 21 -2.308 -24.004 -5.825 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.319 -24.800 -6.154 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.511 -25.146 -7.419 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -4.139 -25.254 -5.214 1.00 42.11 N ATOM 0 H ARG A 21 -1.332 -19.764 -8.650 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.132 -20.467 -8.053 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.706 -20.810 -6.267 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.260 -21.610 -6.141 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.805 -22.836 -8.253 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.255 -22.030 -8.391 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.978 -24.268 -7.418 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.507 -23.035 -6.266 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.187 -23.759 -4.842 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.881 -24.801 -8.143 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.288 -25.758 -7.668 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.993 -24.991 -4.239 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.916 -25.865 -5.466 1.00 42.11 H new ATOM 308 N GLY A 22 -2.444 -17.933 -6.947 1.00 14.01 N ATOM 309 CA GLY A 22 -2.544 -16.705 -6.178 1.00 71.33 C ATOM 310 C GLY A 22 -2.239 -16.916 -4.708 1.00 55.30 C ATOM 311 O GLY A 22 -2.652 -16.123 -3.862 1.00 35.44 O ATOM 0 H GLY A 22 -1.626 -17.993 -7.554 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.854 -15.967 -6.587 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.549 -16.295 -6.282 1.00 71.33 H new ATOM 315 N SER A 23 -1.516 -17.988 -4.403 1.00 52.31 N ATOM 316 CA SER A 23 -1.160 -18.304 -3.025 1.00 31.20 C ATOM 317 C SER A 23 0.311 -18.696 -2.919 1.00 73.43 C ATOM 318 O SER A 23 0.952 -19.070 -3.900 1.00 43.22 O ATOM 319 CB SER A 23 -2.041 -19.436 -2.494 1.00 51.44 C ATOM 320 OG SER A 23 -3.214 -18.927 -1.884 1.00 24.23 O ATOM 0 H SER A 23 -1.165 -18.653 -5.092 1.00 52.31 H new ATOM 0 HA SER A 23 -1.324 -17.412 -2.421 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.313 -20.103 -3.312 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.480 -20.029 -1.772 1.00 51.44 H new ATOM 0 HG SER A 23 -3.761 -19.671 -1.555 1.00 24.23 H new ATOM 326 N PRO A 24 0.858 -18.610 -1.697 1.00 13.40 N ATOM 327 CA PRO A 24 2.260 -18.952 -1.433 1.00 34.35 C ATOM 328 C PRO A 24 2.523 -20.448 -1.552 1.00 53.53 C ATOM 329 O PRO A 24 1.727 -21.267 -1.092 1.00 40.42 O ATOM 330 CB PRO A 24 2.472 -18.484 0.009 1.00 12.41 C ATOM 331 CG PRO A 24 1.114 -18.517 0.623 1.00 62.31 C ATOM 332 CD PRO A 24 0.154 -18.171 -0.481 1.00 53.31 C ATOM 0 HA PRO A 24 2.936 -18.487 -2.151 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.162 -19.139 0.540 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.896 -17.481 0.041 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.896 -19.502 1.036 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.039 -17.804 1.444 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.799 -18.686 -0.361 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.062 -17.103 -0.505 1.00 53.31 H new ATOM 340 N ALA A 25 3.645 -20.800 -2.172 1.00 24.51 N ATOM 341 CA ALA A 25 4.014 -22.199 -2.349 1.00 10.44 C ATOM 342 C ALA A 25 4.698 -22.749 -1.102 1.00 33.45 C ATOM 343 O ALA A 25 5.408 -22.025 -0.403 1.00 43.13 O ATOM 344 CB ALA A 25 4.919 -22.356 -3.562 1.00 61.41 C ATOM 0 H ALA A 25 4.314 -20.135 -2.560 1.00 24.51 H new ATOM 0 HA ALA A 25 3.101 -22.772 -2.513 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.187 -23.406 -3.683 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.396 -22.010 -4.454 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.824 -21.765 -3.420 1.00 61.41 H new ATOM 350 N ILE A 26 4.479 -24.030 -0.829 1.00 22.35 N ATOM 351 CA ILE A 26 5.076 -24.676 0.335 1.00 34.21 C ATOM 352 C ILE A 26 6.168 -25.655 -0.079 1.00 14.43 C ATOM 353 O ILE A 26 6.055 -26.331 -1.101 1.00 25.11 O ATOM 354 CB ILE A 26 4.017 -25.426 1.166 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.090 -24.432 1.869 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.691 -26.339 2.179 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.035 -25.094 2.725 1.00 11.52 C ATOM 0 H ILE A 26 3.893 -24.642 -1.397 1.00 22.35 H new ATOM 0 HA ILE A 26 5.513 -23.886 0.945 1.00 34.21 H new ATOM 0 HB ILE A 26 3.416 -26.040 0.495 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.688 -23.768 2.493 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.601 -23.810 1.119 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.931 -26.863 2.759 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.313 -27.066 1.657 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.312 -25.744 2.848 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.414 -24.330 3.193 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.412 -25.737 2.103 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.517 -25.693 3.498 1.00 11.52 H new ATOM 369 N ASN A 27 7.227 -25.725 0.722 1.00 12.42 N ATOM 370 CA ASN A 27 8.340 -26.623 0.439 1.00 73.32 C ATOM 371 C ASN A 27 8.964 -26.306 -0.918 1.00 13.34 C ATOM 372 O ASN A 27 9.161 -27.195 -1.746 1.00 65.22 O ATOM 373 CB ASN A 27 7.870 -28.079 0.468 1.00 73.52 C ATOM 374 CG ASN A 27 7.732 -28.612 1.881 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.012 -29.782 2.145 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.298 -27.756 2.798 1.00 31.42 N ATOM 0 H ASN A 27 7.337 -25.171 1.571 1.00 12.42 H new ATOM 0 HA ASN A 27 9.096 -26.477 1.211 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.911 -28.159 -0.043 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.578 -28.698 -0.084 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.185 -28.059 3.765 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.078 -26.795 2.535 1.00 31.42 H new ATOM 383 N VAL A 28 9.274 -25.032 -1.138 1.00 10.34 N ATOM 384 CA VAL A 28 9.876 -24.597 -2.392 1.00 3.15 C ATOM 385 C VAL A 28 11.397 -24.588 -2.296 1.00 50.12 C ATOM 386 O VAL A 28 11.990 -23.645 -1.774 1.00 52.30 O ATOM 387 CB VAL A 28 9.389 -23.191 -2.790 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.133 -22.698 -4.022 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.887 -23.196 -3.032 1.00 33.20 C ATOM 0 H VAL A 28 9.118 -24.283 -0.463 1.00 10.34 H new ATOM 0 HA VAL A 28 9.567 -25.310 -3.156 1.00 3.15 H new ATOM 0 HB VAL A 28 9.600 -22.506 -1.968 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.776 -21.703 -4.289 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.201 -22.655 -3.809 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.956 -23.382 -4.852 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.560 -22.195 -3.312 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.650 -23.893 -3.836 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.373 -23.504 -2.122 1.00 33.20 H new ATOM 399 N ALA A 29 12.024 -25.645 -2.804 1.00 21.11 N ATOM 400 CA ALA A 29 13.476 -25.756 -2.779 1.00 13.43 C ATOM 401 C ALA A 29 14.133 -24.532 -3.407 1.00 73.30 C ATOM 402 O ALA A 29 14.078 -24.340 -4.622 1.00 24.22 O ATOM 403 CB ALA A 29 13.920 -27.023 -3.496 1.00 1.22 C ATOM 0 H ALA A 29 11.548 -26.436 -3.238 1.00 21.11 H new ATOM 0 HA ALA A 29 13.793 -25.810 -1.738 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.007 -27.094 -3.470 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.488 -27.892 -3.000 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.583 -26.992 -4.532 1.00 1.22 H new ATOM 409 N VAL A 30 14.755 -23.705 -2.571 1.00 52.51 N ATOM 410 CA VAL A 30 15.422 -22.499 -3.046 1.00 62.05 C ATOM 411 C VAL A 30 16.905 -22.515 -2.689 1.00 64.44 C ATOM 412 O VAL A 30 17.292 -22.994 -1.622 1.00 3.33 O ATOM 413 CB VAL A 30 14.777 -21.232 -2.454 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.438 -19.983 -3.019 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.279 -21.221 -2.725 1.00 50.55 C ATOM 0 H VAL A 30 14.810 -23.849 -1.563 1.00 52.51 H new ATOM 0 HA VAL A 30 15.312 -22.482 -4.130 1.00 62.05 H new ATOM 0 HB VAL A 30 14.928 -21.238 -1.375 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.969 -19.097 -2.590 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.499 -19.989 -2.770 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.319 -19.967 -4.102 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.839 -20.319 -2.300 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.104 -21.238 -3.801 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.820 -22.098 -2.269 1.00 50.55 H new ATOM 425 N HIS A 31 17.729 -21.989 -3.588 1.00 4.33 N ATOM 426 CA HIS A 31 19.171 -21.941 -3.367 1.00 20.44 C ATOM 427 C HIS A 31 19.719 -20.546 -3.656 1.00 70.41 C ATOM 428 O HIS A 31 19.188 -19.822 -4.499 1.00 62.13 O ATOM 429 CB HIS A 31 19.877 -22.972 -4.247 1.00 42.03 C ATOM 430 CG HIS A 31 19.129 -24.264 -4.374 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.926 -24.901 -5.581 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.536 -25.039 -3.436 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.239 -26.011 -5.379 1.00 63.14 C ATOM 434 NE2 HIS A 31 17.991 -26.119 -4.086 1.00 23.04 N ATOM 0 H HIS A 31 17.425 -21.590 -4.476 1.00 4.33 H new ATOM 0 HA HIS A 31 19.362 -22.177 -2.320 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.026 -22.549 -5.240 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.866 -23.173 -3.835 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.498 -24.844 -2.374 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.932 -26.711 -6.142 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.478 -26.881 -3.642 1.00 23.04 H new ATOM 442 N VAL A 32 20.783 -20.177 -2.952 1.00 33.14 N ATOM 443 CA VAL A 32 21.403 -18.869 -3.132 1.00 13.25 C ATOM 444 C VAL A 32 22.912 -18.998 -3.310 1.00 62.02 C ATOM 445 O VAL A 32 23.602 -19.571 -2.467 1.00 63.22 O ATOM 446 CB VAL A 32 21.116 -17.941 -1.937 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.508 -16.509 -2.268 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.649 -18.023 -1.542 1.00 30.45 C ATOM 0 H VAL A 32 21.234 -20.765 -2.251 1.00 33.14 H new ATOM 0 HA VAL A 32 20.968 -18.434 -4.032 1.00 13.25 H new ATOM 0 HB VAL A 32 21.717 -18.270 -1.089 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.298 -15.867 -1.412 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.572 -16.468 -2.500 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.935 -16.165 -3.129 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.462 -17.361 -0.696 1.00 30.45 H new ATOM 0 HG22 VAL A 32 19.028 -17.719 -2.384 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.404 -19.048 -1.262 1.00 30.45 H new ATOM 458 N PHE A 33 23.420 -18.458 -4.413 1.00 14.51 N ATOM 459 CA PHE A 33 24.849 -18.512 -4.704 1.00 10.33 C ATOM 460 C PHE A 33 25.436 -17.107 -4.802 1.00 51.44 C ATOM 461 O PHE A 33 24.713 -16.134 -5.013 1.00 61.13 O ATOM 462 CB PHE A 33 25.098 -19.274 -6.007 1.00 54.22 C ATOM 463 CG PHE A 33 24.673 -20.714 -5.949 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.332 -21.057 -6.007 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.616 -21.723 -5.838 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.940 -22.382 -5.953 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.229 -23.050 -5.785 1.00 51.24 C ATOM 468 CZ PHE A 33 23.890 -23.379 -5.844 1.00 15.51 C ATOM 0 H PHE A 33 22.864 -17.978 -5.120 1.00 14.51 H new ATOM 0 HA PHE A 33 25.342 -19.037 -3.886 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.563 -18.778 -6.817 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.160 -19.226 -6.250 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.585 -20.282 -6.095 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.665 -21.471 -5.792 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.891 -22.637 -5.996 1.00 31.23 H new ATOM 0 HE2 PHE A 33 25.974 -23.827 -5.698 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.585 -24.414 -5.805 1.00 15.51 H new ATOM 478 N ARG A 34 26.753 -17.011 -4.647 1.00 32.15 N ATOM 479 CA ARG A 34 27.439 -15.727 -4.717 1.00 13.44 C ATOM 480 C ARG A 34 28.445 -15.709 -5.865 1.00 21.02 C ATOM 481 O ARG A 34 29.055 -16.729 -6.186 1.00 3.34 O ATOM 482 CB ARG A 34 28.151 -15.433 -3.396 1.00 72.25 C ATOM 483 CG ARG A 34 28.962 -14.147 -3.414 1.00 3.34 C ATOM 484 CD ARG A 34 29.811 -14.006 -2.160 1.00 53.42 C ATOM 485 NE ARG A 34 30.929 -13.087 -2.358 1.00 31.04 N ATOM 486 CZ ARG A 34 30.785 -11.774 -2.498 1.00 34.30 C ATOM 487 NH1 ARG A 34 29.576 -11.229 -2.463 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 31.851 -11.003 -2.673 1.00 2.43 N ATOM 0 H ARG A 34 27.366 -17.807 -4.472 1.00 32.15 H new ATOM 0 HA ARG A 34 26.692 -14.954 -4.900 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.410 -15.374 -2.599 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.812 -16.266 -3.156 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.605 -14.134 -4.294 1.00 3.34 H new ATOM 0 HG3 ARG A 34 28.290 -13.293 -3.498 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.189 -13.649 -1.339 1.00 53.42 H new ATOM 0 HD3 ARG A 34 30.193 -14.984 -1.869 1.00 53.42 H new ATOM 0 HE ARG A 34 31.872 -13.475 -2.391 1.00 31.04 H new ATOM 0 HH11 ARG A 34 28.755 -11.818 -2.328 1.00 44.53 H new ATOM 0 HH12 ARG A 34 29.468 -10.220 -2.571 1.00 44.53 H new ATOM 0 HH21 ARG A 34 32.782 -11.419 -2.700 1.00 2.43 H new ATOM 0 HH22 ARG A 34 31.739 -9.995 -2.780 1.00 2.43 H new ATOM 502 N LYS A 35 28.613 -14.544 -6.479 1.00 54.20 N ATOM 503 CA LYS A 35 29.544 -14.391 -7.590 1.00 73.31 C ATOM 504 C LYS A 35 30.988 -14.454 -7.103 1.00 71.34 C ATOM 505 O LYS A 35 31.426 -13.610 -6.323 1.00 63.22 O ATOM 506 CB LYS A 35 29.296 -13.064 -8.313 1.00 24.12 C ATOM 507 CG LYS A 35 30.411 -12.675 -9.268 1.00 14.42 C ATOM 508 CD LYS A 35 30.571 -13.695 -10.382 1.00 34.13 C ATOM 509 CE LYS A 35 29.469 -13.565 -11.422 1.00 42.22 C ATOM 510 NZ LYS A 35 29.629 -12.336 -12.248 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.116 -13.690 -6.226 1.00 54.20 H new ATOM 0 HA LYS A 35 29.377 -15.213 -8.286 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.360 -13.132 -8.868 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.171 -12.274 -7.572 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.199 -11.696 -9.697 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.348 -12.585 -8.718 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.541 -13.563 -10.861 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.558 -14.700 -9.961 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.476 -14.442 -12.070 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.500 -13.544 -10.924 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 29.002 -12.390 -13.076 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.380 -11.501 -11.680 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.616 -12.257 -12.566 1.00 53.31 H new ATOM 524 N ALA A 36 31.721 -15.460 -7.569 1.00 33.44 N ATOM 525 CA ALA A 36 33.116 -15.630 -7.182 1.00 70.02 C ATOM 526 C ALA A 36 34.030 -14.732 -8.009 1.00 20.11 C ATOM 527 O ALA A 36 33.561 -13.937 -8.824 1.00 35.22 O ATOM 528 CB ALA A 36 33.531 -17.087 -7.332 1.00 3.22 C ATOM 0 H ALA A 36 31.372 -16.169 -8.214 1.00 33.44 H new ATOM 0 HA ALA A 36 33.214 -15.340 -6.136 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.575 -17.200 -7.040 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.906 -17.711 -6.693 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.410 -17.395 -8.371 1.00 3.22 H new ATOM 534 N ALA A 37 35.334 -14.862 -7.793 1.00 24.23 N ATOM 535 CA ALA A 37 36.313 -14.062 -8.520 1.00 41.33 C ATOM 536 C ALA A 37 36.605 -14.664 -9.889 1.00 62.24 C ATOM 537 O ALA A 37 37.300 -14.061 -10.707 1.00 15.13 O ATOM 538 CB ALA A 37 37.595 -13.934 -7.712 1.00 20.34 C ATOM 0 H ALA A 37 35.738 -15.514 -7.120 1.00 24.23 H new ATOM 0 HA ALA A 37 35.893 -13.068 -8.672 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.317 -13.334 -8.267 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.378 -13.451 -6.759 1.00 20.34 H new ATOM 0 HB3 ALA A 37 38.011 -14.925 -7.530 1.00 20.34 H new ATOM 544 N ASP A 38 36.073 -15.857 -10.133 1.00 62.14 N ATOM 545 CA ASP A 38 36.277 -16.541 -11.404 1.00 4.12 C ATOM 546 C ASP A 38 35.015 -16.488 -12.259 1.00 0.42 C ATOM 547 O ASP A 38 34.774 -17.371 -13.083 1.00 23.13 O ATOM 548 CB ASP A 38 36.687 -17.995 -11.165 1.00 0.10 C ATOM 549 CG ASP A 38 37.558 -18.541 -12.279 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.602 -17.924 -12.571 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.194 -19.587 -12.859 1.00 5.41 O ATOM 0 H ASP A 38 35.497 -16.370 -9.466 1.00 62.14 H new ATOM 0 HA ASP A 38 37.077 -16.030 -11.939 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.224 -18.067 -10.219 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.793 -18.611 -11.072 1.00 0.10 H new ATOM 556 N ASP A 39 34.213 -15.449 -12.056 1.00 22.23 N ATOM 557 CA ASP A 39 32.974 -15.280 -12.808 1.00 13.11 C ATOM 558 C ASP A 39 32.054 -16.481 -12.614 1.00 31.25 C ATOM 559 O ASP A 39 31.229 -16.791 -13.475 1.00 44.13 O ATOM 560 CB ASP A 39 33.278 -15.089 -14.295 1.00 2.13 C ATOM 561 CG ASP A 39 33.945 -13.759 -14.584 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.225 -12.744 -14.690 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.188 -13.733 -14.702 1.00 22.43 O ATOM 0 H ASP A 39 34.398 -14.711 -11.377 1.00 22.23 H new ATOM 0 HA ASP A 39 32.467 -14.392 -12.432 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.924 -15.898 -14.638 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.351 -15.158 -14.864 1.00 2.13 H new ATOM 568 N THR A 40 32.200 -17.156 -11.479 1.00 30.11 N ATOM 569 CA THR A 40 31.384 -18.325 -11.173 1.00 25.33 C ATOM 570 C THR A 40 30.425 -18.039 -10.023 1.00 51.15 C ATOM 571 O THR A 40 30.395 -16.930 -9.488 1.00 63.30 O ATOM 572 CB THR A 40 32.258 -19.539 -10.807 1.00 62.55 C ATOM 573 OG1 THR A 40 32.960 -19.288 -9.584 1.00 73.04 O ATOM 574 CG2 THR A 40 33.255 -19.843 -11.916 1.00 33.22 C ATOM 0 H THR A 40 32.876 -16.913 -10.755 1.00 30.11 H new ATOM 0 HA THR A 40 30.812 -18.556 -12.072 1.00 25.33 H new ATOM 0 HB THR A 40 31.605 -20.402 -10.680 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.512 -20.066 -9.358 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.861 -20.704 -11.635 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.717 -20.063 -12.838 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.902 -18.979 -12.071 1.00 33.22 H new ATOM 582 N TRP A 41 29.643 -19.044 -9.648 1.00 51.02 N ATOM 583 CA TRP A 41 28.682 -18.900 -8.561 1.00 63.44 C ATOM 584 C TRP A 41 28.929 -19.941 -7.474 1.00 42.43 C ATOM 585 O TRP A 41 28.768 -21.139 -7.703 1.00 72.23 O ATOM 586 CB TRP A 41 27.254 -19.030 -9.093 1.00 61.33 C ATOM 587 CG TRP A 41 26.932 -18.044 -10.176 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.885 -18.287 -11.519 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.614 -16.659 -10.006 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.557 -17.136 -12.194 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.384 -16.124 -11.289 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.499 -15.818 -8.895 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.049 -14.787 -11.488 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.165 -14.493 -9.094 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.942 -13.987 -10.382 1.00 4.00 C ATOM 0 H TRP A 41 29.655 -19.968 -10.080 1.00 51.02 H new ATOM 0 HA TRP A 41 28.811 -17.909 -8.126 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.107 -20.040 -9.475 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.553 -18.896 -8.269 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.077 -19.243 -11.982 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.458 -17.050 -13.206 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.668 -16.198 -7.898 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.880 -14.395 -12.480 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.074 -13.835 -8.242 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.681 -12.946 -10.504 1.00 4.00 H new ATOM 606 N GLU A 42 29.319 -19.475 -6.292 1.00 14.31 N ATOM 607 CA GLU A 42 29.589 -20.368 -5.171 1.00 22.31 C ATOM 608 C GLU A 42 28.364 -20.493 -4.268 1.00 30.22 C ATOM 609 O GLU A 42 27.484 -19.632 -4.252 1.00 23.11 O ATOM 610 CB GLU A 42 30.783 -19.860 -4.361 1.00 42.11 C ATOM 611 CG GLU A 42 32.127 -20.294 -4.921 1.00 72.32 C ATOM 612 CD GLU A 42 33.190 -20.431 -3.847 1.00 0.20 C ATOM 613 OE1 GLU A 42 32.918 -20.047 -2.691 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 34.293 -20.922 -4.165 1.00 22.45 O ATOM 0 H GLU A 42 29.455 -18.485 -6.086 1.00 14.31 H new ATOM 0 HA GLU A 42 29.825 -21.353 -5.573 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.749 -18.771 -4.323 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.694 -20.217 -3.335 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.011 -21.248 -5.436 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.458 -19.569 -5.664 1.00 72.32 H new ATOM 621 N PRO A 43 28.306 -21.591 -3.500 1.00 55.32 N ATOM 622 CA PRO A 43 27.195 -21.855 -2.581 1.00 0.45 C ATOM 623 C PRO A 43 27.188 -20.902 -1.391 1.00 61.23 C ATOM 624 O PRO A 43 28.150 -20.842 -0.625 1.00 55.41 O ATOM 625 CB PRO A 43 27.453 -23.290 -2.115 1.00 61.34 C ATOM 626 CG PRO A 43 28.923 -23.481 -2.275 1.00 40.42 C ATOM 627 CD PRO A 43 29.320 -22.658 -3.469 1.00 75.22 C ATOM 0 HA PRO A 43 26.227 -21.716 -3.062 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.146 -23.431 -1.079 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.893 -24.008 -2.714 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.458 -23.157 -1.382 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.166 -24.533 -2.428 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.326 -22.253 -3.361 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.310 -23.248 -4.385 1.00 75.22 H new ATOM 635 N PHE A 44 26.096 -20.159 -1.240 1.00 1.12 N ATOM 636 CA PHE A 44 25.965 -19.208 -0.142 1.00 62.35 C ATOM 637 C PHE A 44 24.974 -19.715 0.901 1.00 72.22 C ATOM 638 O PHE A 44 25.305 -19.839 2.079 1.00 41.04 O ATOM 639 CB PHE A 44 25.515 -17.845 -0.671 1.00 22.21 C ATOM 640 CG PHE A 44 25.391 -16.798 0.399 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.517 -16.303 1.035 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.148 -16.309 0.767 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.407 -15.339 2.020 1.00 13.33 C ATOM 644 CE2 PHE A 44 24.032 -15.344 1.750 1.00 23.30 C ATOM 645 CZ PHE A 44 25.162 -14.860 2.379 1.00 2.44 C ATOM 0 H PHE A 44 25.290 -20.197 -1.864 1.00 1.12 H new ATOM 0 HA PHE A 44 26.941 -19.101 0.332 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.227 -17.503 -1.422 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.553 -17.958 -1.171 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.493 -16.674 0.758 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.260 -16.686 0.281 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.293 -14.961 2.508 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.058 -14.969 2.026 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.073 -14.109 3.150 1.00 2.44 H new ATOM 655 N ALA A 45 23.755 -20.005 0.458 1.00 74.54 N ATOM 656 CA ALA A 45 22.715 -20.499 1.351 1.00 71.13 C ATOM 657 C ALA A 45 21.645 -21.265 0.578 1.00 63.11 C ATOM 658 O ALA A 45 21.691 -21.346 -0.649 1.00 0.42 O ATOM 659 CB ALA A 45 22.088 -19.347 2.122 1.00 14.12 C ATOM 0 H ALA A 45 23.464 -19.906 -0.515 1.00 74.54 H new ATOM 0 HA ALA A 45 23.177 -21.186 2.060 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.313 -19.732 2.785 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.854 -18.845 2.713 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.647 -18.638 1.422 1.00 14.12 H new ATOM 665 N SER A 46 20.685 -21.826 1.305 1.00 60.52 N ATOM 666 CA SER A 46 19.606 -22.589 0.688 1.00 52.32 C ATOM 667 C SER A 46 18.520 -22.918 1.708 1.00 40.50 C ATOM 668 O SER A 46 18.787 -23.022 2.905 1.00 65.02 O ATOM 669 CB SER A 46 20.153 -23.879 0.073 1.00 70.12 C ATOM 670 OG SER A 46 19.174 -24.905 0.088 1.00 13.53 O ATOM 0 H SER A 46 20.632 -21.767 2.322 1.00 60.52 H new ATOM 0 HA SER A 46 19.166 -21.977 -0.100 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.472 -23.691 -0.952 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.034 -24.204 0.626 1.00 70.12 H new ATOM 0 HG SER A 46 19.547 -25.719 -0.312 1.00 13.53 H new ATOM 676 N GLY A 47 17.292 -23.082 1.225 1.00 11.14 N ATOM 677 CA GLY A 47 16.183 -23.397 2.106 1.00 1.53 C ATOM 678 C GLY A 47 14.872 -23.537 1.360 1.00 63.12 C ATOM 679 O GLY A 47 14.819 -23.365 0.143 1.00 62.23 O ATOM 0 H GLY A 47 17.046 -23.002 0.238 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.397 -24.325 2.636 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.087 -22.614 2.859 1.00 1.53 H new ATOM 683 N LYS A 48 13.808 -23.852 2.093 1.00 51.41 N ATOM 684 CA LYS A 48 12.488 -24.016 1.494 1.00 3.33 C ATOM 685 C LYS A 48 11.499 -23.011 2.075 1.00 14.54 C ATOM 686 O LYS A 48 11.725 -22.449 3.147 1.00 53.10 O ATOM 687 CB LYS A 48 11.976 -25.441 1.720 1.00 54.50 C ATOM 688 CG LYS A 48 12.839 -26.508 1.068 1.00 35.21 C ATOM 689 CD LYS A 48 12.365 -27.905 1.429 1.00 13.00 C ATOM 690 CE LYS A 48 13.331 -28.968 0.929 1.00 55.05 C ATOM 691 NZ LYS A 48 13.104 -30.281 1.595 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.834 -23.999 3.102 1.00 51.41 H new ATOM 0 HA LYS A 48 12.577 -23.834 0.423 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.923 -25.633 2.792 1.00 54.50 H new ATOM 0 HB3 LYS A 48 10.961 -25.519 1.331 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.817 -26.384 -0.015 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.875 -26.382 1.382 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.261 -27.987 2.511 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.378 -28.078 1.000 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.218 -29.083 -0.149 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.355 -28.642 1.109 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.782 -30.979 1.227 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.237 -30.177 2.621 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.135 -30.605 1.402 1.00 60.34 H new ATOM 705 N THR A 49 10.400 -22.789 1.360 1.00 35.43 N ATOM 706 CA THR A 49 9.376 -21.852 1.805 1.00 51.31 C ATOM 707 C THR A 49 8.318 -22.554 2.650 1.00 3.20 C ATOM 708 O THR A 49 8.245 -23.782 2.675 1.00 55.41 O ATOM 709 CB THR A 49 8.688 -21.163 0.611 1.00 40.10 C ATOM 710 OG1 THR A 49 7.992 -22.133 -0.180 1.00 34.44 O ATOM 711 CG2 THR A 49 9.706 -20.433 -0.252 1.00 72.54 C ATOM 0 H THR A 49 10.197 -23.245 0.471 1.00 35.43 H new ATOM 0 HA THR A 49 9.879 -21.098 2.410 1.00 51.31 H new ATOM 0 HB THR A 49 7.977 -20.435 1.000 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.028 -21.966 -0.128 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.197 -19.954 -1.089 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.213 -19.676 0.346 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.438 -21.145 -0.632 1.00 72.54 H new ATOM 719 N SER A 50 7.499 -21.766 3.340 1.00 13.14 N ATOM 720 CA SER A 50 6.448 -22.312 4.189 1.00 23.01 C ATOM 721 C SER A 50 5.069 -21.925 3.662 1.00 61.40 C ATOM 722 O SER A 50 4.937 -21.431 2.543 1.00 4.13 O ATOM 723 CB SER A 50 6.615 -21.817 5.626 1.00 14.25 C ATOM 724 OG SER A 50 7.982 -21.624 5.944 1.00 22.21 O ATOM 0 H SER A 50 7.544 -20.747 3.327 1.00 13.14 H new ATOM 0 HA SER A 50 6.531 -23.399 4.175 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.072 -20.881 5.757 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.176 -22.538 6.316 1.00 14.25 H new ATOM 0 HG SER A 50 8.061 -21.306 6.868 1.00 22.21 H new ATOM 730 N GLU A 51 4.045 -22.153 4.479 1.00 40.23 N ATOM 731 CA GLU A 51 2.676 -21.828 4.095 1.00 60.32 C ATOM 732 C GLU A 51 2.534 -20.341 3.789 1.00 42.55 C ATOM 733 O GLU A 51 1.588 -19.919 3.125 1.00 73.13 O ATOM 734 CB GLU A 51 1.703 -22.227 5.207 1.00 71.34 C ATOM 735 CG GLU A 51 2.173 -21.832 6.597 1.00 5.20 C ATOM 736 CD GLU A 51 1.108 -21.094 7.385 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.067 -21.710 7.695 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.316 -19.902 7.692 1.00 51.42 O1- ATOM 0 H GLU A 51 4.137 -22.561 5.409 1.00 40.23 H new ATOM 0 HA GLU A 51 2.436 -22.390 3.193 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.735 -21.764 5.015 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.552 -23.306 5.177 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.470 -22.727 7.144 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.059 -21.202 6.512 1.00 5.20 H new ATOM 745 N SER A 52 3.483 -19.549 4.281 1.00 0.31 N ATOM 746 CA SER A 52 3.462 -18.107 4.065 1.00 24.21 C ATOM 747 C SER A 52 4.245 -17.734 2.810 1.00 24.50 C ATOM 748 O SER A 52 4.058 -16.659 2.244 1.00 12.24 O ATOM 749 CB SER A 52 4.045 -17.380 5.278 1.00 63.01 C ATOM 750 OG SER A 52 3.199 -16.321 5.694 1.00 15.33 O ATOM 0 H SER A 52 4.275 -19.882 4.831 1.00 0.31 H new ATOM 0 HA SER A 52 2.425 -17.800 3.930 1.00 24.21 H new ATOM 0 HB2 SER A 52 4.180 -18.085 6.098 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.031 -16.986 5.031 1.00 63.01 H new ATOM 0 HG SER A 52 3.593 -15.874 6.472 1.00 15.33 H new ATOM 756 N GLY A 53 5.126 -18.634 2.381 1.00 45.14 N ATOM 757 CA GLY A 53 5.925 -18.382 1.196 1.00 60.22 C ATOM 758 C GLY A 53 7.245 -17.710 1.519 1.00 74.10 C ATOM 759 O GLY A 53 8.050 -17.449 0.625 1.00 12.51 O ATOM 0 H GLY A 53 5.300 -19.532 2.833 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.117 -19.325 0.683 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.360 -17.754 0.507 1.00 60.22 H new ATOM 763 N GLU A 54 7.466 -17.428 2.799 1.00 43.33 N ATOM 764 CA GLU A 54 8.697 -16.780 3.236 1.00 51.21 C ATOM 765 C GLU A 54 9.763 -17.814 3.584 1.00 32.34 C ATOM 766 O GLU A 54 9.454 -18.898 4.079 1.00 45.34 O ATOM 767 CB GLU A 54 8.425 -15.884 4.447 1.00 52.21 C ATOM 768 CG GLU A 54 8.470 -16.624 5.773 1.00 3.13 C ATOM 769 CD GLU A 54 7.278 -17.540 5.971 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.183 -18.553 5.247 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 6.441 -17.243 6.848 1.00 3.21 O ATOM 0 H GLU A 54 6.809 -17.638 3.551 1.00 43.33 H new ATOM 0 HA GLU A 54 9.066 -16.167 2.414 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.159 -15.079 4.465 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.445 -15.420 4.332 1.00 52.21 H new ATOM 0 HG2 GLU A 54 9.387 -17.211 5.826 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.507 -15.901 6.587 1.00 3.13 H new ATOM 778 N LEU A 55 11.019 -17.471 3.321 1.00 2.41 N ATOM 779 CA LEU A 55 12.133 -18.369 3.605 1.00 22.44 C ATOM 780 C LEU A 55 13.254 -17.633 4.332 1.00 75.42 C ATOM 781 O LEU A 55 13.987 -16.847 3.731 1.00 42.00 O ATOM 782 CB LEU A 55 12.665 -18.980 2.307 1.00 1.43 C ATOM 783 CG LEU A 55 14.034 -19.657 2.396 1.00 62.34 C ATOM 784 CD1 LEU A 55 14.041 -20.704 3.500 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.406 -20.284 1.061 1.00 12.22 C ATOM 0 H LEU A 55 11.292 -16.577 2.912 1.00 2.41 H new ATOM 0 HA LEU A 55 11.769 -19.167 4.252 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.942 -19.713 1.951 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.719 -18.194 1.554 1.00 1.43 H new ATOM 0 HG LEU A 55 14.778 -18.899 2.638 1.00 62.34 H new ATOM 0 HD11 LEU A 55 15.023 -21.175 3.548 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.820 -20.227 4.455 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.286 -21.461 3.289 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.383 -20.761 1.143 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.659 -21.030 0.789 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.443 -19.511 0.294 1.00 12.22 H new ATOM 797 N HIS A 56 13.385 -17.896 5.628 1.00 62.22 N ATOM 798 CA HIS A 56 14.419 -17.261 6.437 1.00 52.21 C ATOM 799 C HIS A 56 15.382 -18.301 7.004 1.00 65.14 C ATOM 800 O HIS A 56 15.160 -19.504 6.869 1.00 61.43 O ATOM 801 CB HIS A 56 13.787 -16.460 7.575 1.00 44.24 C ATOM 802 CG HIS A 56 12.634 -15.609 7.140 1.00 31.34 C ATOM 803 ND1 HIS A 56 11.560 -15.323 7.955 1.00 24.42 N ATOM 804 CD2 HIS A 56 12.392 -14.978 5.967 1.00 65.14 C ATOM 805 CE1 HIS A 56 10.706 -14.555 7.303 1.00 13.10 C ATOM 806 NE2 HIS A 56 11.187 -14.331 6.094 1.00 75.35 N ATOM 0 H HIS A 56 12.788 -18.545 6.141 1.00 62.22 H new ATOM 0 HA HIS A 56 14.981 -16.583 5.795 1.00 52.21 H new ATOM 0 HB2 HIS A 56 13.448 -17.149 8.349 1.00 44.24 H new ATOM 0 HB3 HIS A 56 14.548 -15.823 8.026 1.00 44.24 H new ATOM 0 HD1 HIS A 56 11.443 -15.653 8.913 1.00 24.42 H new ATOM 0 HD2 HIS A 56 13.028 -14.982 5.094 1.00 65.14 H new ATOM 0 HE1 HIS A 56 9.773 -14.175 7.692 1.00 13.10 H new ATOM 814 N GLY A 57 16.451 -17.828 7.637 1.00 54.50 N ATOM 815 CA GLY A 57 17.430 -18.731 8.214 1.00 51.11 C ATOM 816 C GLY A 57 18.443 -19.213 7.196 1.00 44.14 C ATOM 817 O GLY A 57 18.962 -20.326 7.304 1.00 3.50 O ATOM 0 H GLY A 57 16.657 -16.837 7.761 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.950 -18.226 9.029 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.917 -19.590 8.647 1.00 51.11 H new ATOM 821 N LEU A 58 18.726 -18.377 6.203 1.00 1.11 N ATOM 822 CA LEU A 58 19.684 -18.726 5.160 1.00 53.45 C ATOM 823 C LEU A 58 21.112 -18.445 5.615 1.00 62.15 C ATOM 824 O LEU A 58 21.953 -19.344 5.655 1.00 35.35 O ATOM 825 CB LEU A 58 19.381 -17.944 3.879 1.00 64.24 C ATOM 826 CG LEU A 58 18.288 -18.525 2.981 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.070 -17.639 1.765 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.646 -19.941 2.555 1.00 62.04 C ATOM 0 H LEU A 58 18.306 -17.453 6.098 1.00 1.11 H new ATOM 0 HA LEU A 58 19.591 -19.793 4.958 1.00 53.45 H new ATOM 0 HB2 LEU A 58 19.095 -16.929 4.156 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.300 -17.869 3.297 1.00 64.24 H new ATOM 0 HG LEU A 58 17.358 -18.562 3.549 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.289 -18.068 1.138 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.768 -16.643 2.090 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.996 -17.570 1.195 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.857 -20.339 1.917 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.587 -19.929 2.005 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.751 -20.571 3.438 1.00 62.04 H new ATOM 840 N THR A 59 21.381 -17.188 5.958 1.00 11.10 N ATOM 841 CA THR A 59 22.707 -16.787 6.412 1.00 32.02 C ATOM 842 C THR A 59 22.618 -15.712 7.488 1.00 65.34 C ATOM 843 O THR A 59 21.525 -15.304 7.885 1.00 12.31 O ATOM 844 CB THR A 59 23.564 -16.261 5.245 1.00 50.44 C ATOM 845 OG1 THR A 59 22.801 -15.346 4.451 1.00 55.13 O ATOM 846 CG2 THR A 59 24.057 -17.407 4.375 1.00 44.44 C ATOM 0 H THR A 59 20.698 -16.431 5.930 1.00 11.10 H new ATOM 0 HA THR A 59 23.181 -17.675 6.830 1.00 32.02 H new ATOM 0 HB THR A 59 24.429 -15.746 5.662 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.348 -15.027 3.703 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.660 -17.010 3.558 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.662 -18.086 4.976 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.203 -17.947 3.967 1.00 44.44 H new ATOM 854 N THR A 60 23.775 -15.254 7.959 1.00 54.44 N ATOM 855 CA THR A 60 23.827 -14.226 8.989 1.00 13.13 C ATOM 856 C THR A 60 24.193 -12.870 8.396 1.00 21.15 C ATOM 857 O THR A 60 24.572 -12.776 7.229 1.00 14.52 O ATOM 858 CB THR A 60 24.845 -14.584 10.089 1.00 25.41 C ATOM 859 OG1 THR A 60 26.119 -14.871 9.502 1.00 64.13 O ATOM 860 CG2 THR A 60 24.371 -15.784 10.895 1.00 52.01 C ATOM 0 H THR A 60 24.688 -15.580 7.642 1.00 54.44 H new ATOM 0 HA THR A 60 22.831 -14.170 9.429 1.00 13.13 H new ATOM 0 HB THR A 60 24.938 -13.730 10.759 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.761 -15.096 10.207 1.00 64.13 H new ATOM 0 HG21 THR A 60 25.106 -16.018 11.665 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.415 -15.553 11.364 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.253 -16.642 10.234 1.00 52.01 H new ATOM 868 N GLU A 61 24.079 -11.823 9.208 1.00 22.20 N ATOM 869 CA GLU A 61 24.398 -10.473 8.761 1.00 34.44 C ATOM 870 C GLU A 61 25.906 -10.287 8.623 1.00 75.15 C ATOM 871 O GLU A 61 26.370 -9.444 7.856 1.00 20.20 O ATOM 872 CB GLU A 61 23.834 -9.442 9.740 1.00 63.34 C ATOM 873 CG GLU A 61 23.917 -8.011 9.233 1.00 15.31 C ATOM 874 CD GLU A 61 23.918 -6.992 10.357 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.934 -6.955 11.124 1.00 31.33 O ATOM 876 OE2 GLU A 61 24.904 -6.234 10.468 1.00 53.10 O1- ATOM 0 H GLU A 61 23.768 -11.884 10.178 1.00 22.20 H new ATOM 0 HA GLU A 61 23.940 -10.324 7.783 1.00 34.44 H new ATOM 0 HB2 GLU A 61 22.792 -9.684 9.949 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.374 -9.516 10.684 1.00 63.34 H new ATOM 0 HG2 GLU A 61 24.823 -7.892 8.639 1.00 15.31 H new ATOM 0 HG3 GLU A 61 23.074 -7.815 8.571 1.00 15.31 H new ATOM 883 N GLU A 62 26.664 -11.082 9.371 1.00 42.53 N ATOM 884 CA GLU A 62 28.120 -11.005 9.333 1.00 43.33 C ATOM 885 C GLU A 62 28.674 -11.762 8.129 1.00 65.32 C ATOM 886 O GLU A 62 29.760 -11.457 7.638 1.00 62.24 O ATOM 887 CB GLU A 62 28.718 -11.570 10.624 1.00 54.13 C ATOM 888 CG GLU A 62 28.013 -11.090 11.882 1.00 32.32 C ATOM 889 CD GLU A 62 28.973 -10.522 12.907 1.00 63.21 C ATOM 890 OE1 GLU A 62 30.065 -11.102 13.083 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.632 -9.497 13.535 1.00 12.42 O ATOM 0 H GLU A 62 26.295 -11.786 10.010 1.00 42.53 H new ATOM 0 HA GLU A 62 28.400 -9.956 9.241 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.677 -12.659 10.588 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.771 -11.292 10.679 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.280 -10.329 11.615 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.463 -11.920 12.325 1.00 32.32 H new ATOM 898 N GLU A 63 27.919 -12.751 7.661 1.00 72.05 N ATOM 899 CA GLU A 63 28.335 -13.553 6.517 1.00 4.24 C ATOM 900 C GLU A 63 27.792 -12.967 5.216 1.00 63.22 C ATOM 901 O GLU A 63 28.405 -13.105 4.157 1.00 24.32 O ATOM 902 CB GLU A 63 27.857 -14.998 6.676 1.00 2.20 C ATOM 903 CG GLU A 63 28.219 -15.892 5.503 1.00 63.03 C ATOM 904 CD GLU A 63 29.711 -16.141 5.397 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.465 -15.583 6.222 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 30.125 -16.892 4.490 1.00 13.21 O ATOM 0 H GLU A 63 27.017 -13.016 8.056 1.00 72.05 H new ATOM 0 HA GLU A 63 29.424 -13.541 6.475 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.287 -15.416 7.586 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.775 -15.002 6.804 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.702 -16.846 5.605 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.864 -15.434 4.579 1.00 63.03 H new ATOM 913 N PHE A 64 26.638 -12.315 5.305 1.00 65.55 N ATOM 914 CA PHE A 64 26.011 -11.709 4.136 1.00 2.44 C ATOM 915 C PHE A 64 26.703 -10.402 3.762 1.00 64.41 C ATOM 916 O PHE A 64 26.407 -9.347 4.323 1.00 23.03 O ATOM 917 CB PHE A 64 24.525 -11.455 4.402 1.00 11.52 C ATOM 918 CG PHE A 64 23.733 -11.173 3.158 1.00 62.32 C ATOM 919 CD1 PHE A 64 23.807 -9.936 2.538 1.00 2.21 C ATOM 920 CD2 PHE A 64 22.912 -12.145 2.608 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.080 -9.674 1.392 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.182 -11.888 1.464 1.00 23.23 C ATOM 923 CZ PHE A 64 22.265 -10.651 0.856 1.00 20.10 C ATOM 0 H PHE A 64 26.118 -12.193 6.174 1.00 65.55 H new ATOM 0 HA PHE A 64 26.111 -12.403 3.301 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.100 -12.324 4.904 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.425 -10.612 5.085 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.440 -9.167 2.955 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.842 -13.114 3.079 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.149 -8.707 0.917 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.547 -12.654 1.045 1.00 23.23 H new ATOM 0 HZ PHE A 64 21.693 -10.448 -0.037 1.00 20.10 H new ATOM 933 N VAL A 65 27.629 -10.480 2.811 1.00 21.05 N ATOM 934 CA VAL A 65 28.364 -9.304 2.361 1.00 15.40 C ATOM 935 C VAL A 65 27.767 -8.741 1.077 1.00 44.42 C ATOM 936 O VAL A 65 26.784 -9.267 0.555 1.00 15.41 O ATOM 937 CB VAL A 65 29.851 -9.629 2.125 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.539 -9.971 3.437 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.994 -10.767 1.125 1.00 3.14 C ATOM 0 H VAL A 65 27.888 -11.346 2.337 1.00 21.05 H new ATOM 0 HA VAL A 65 28.284 -8.558 3.152 1.00 15.40 H new ATOM 0 HB VAL A 65 30.336 -8.746 1.709 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.589 -10.198 3.249 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.467 -9.123 4.118 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.055 -10.838 3.886 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.051 -10.984 0.970 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.494 -11.655 1.511 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.540 -10.478 0.177 1.00 3.14 H new ATOM 949 N GLU A 66 28.368 -7.668 0.572 1.00 71.12 N ATOM 950 CA GLU A 66 27.895 -7.034 -0.653 1.00 72.12 C ATOM 951 C GLU A 66 28.398 -7.782 -1.883 1.00 23.14 C ATOM 952 O GLU A 66 29.389 -8.510 -1.819 1.00 1.30 O ATOM 953 CB GLU A 66 28.353 -5.575 -0.707 1.00 3.54 C ATOM 954 CG GLU A 66 29.833 -5.412 -1.012 1.00 73.15 C ATOM 955 CD GLU A 66 30.371 -4.060 -0.586 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.445 -3.808 0.634 1.00 63.51 O ATOM 957 OE2 GLU A 66 30.719 -3.254 -1.475 1.00 4.44 O1- ATOM 0 H GLU A 66 29.183 -7.220 0.992 1.00 71.12 H new ATOM 0 HA GLU A 66 26.805 -7.066 -0.651 1.00 72.12 H new ATOM 0 HB2 GLU A 66 27.774 -5.049 -1.466 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.133 -5.098 0.248 1.00 3.54 H new ATOM 0 HG2 GLU A 66 30.393 -6.198 -0.505 1.00 73.15 H new ATOM 0 HG3 GLU A 66 29.996 -5.543 -2.082 1.00 73.15 H new ATOM 964 N GLY A 67 27.709 -7.598 -3.005 1.00 24.52 N ATOM 965 CA GLY A 67 28.099 -8.263 -4.234 1.00 43.11 C ATOM 966 C GLY A 67 26.914 -8.835 -4.987 1.00 53.01 C ATOM 967 O GLY A 67 25.763 -8.543 -4.659 1.00 30.33 O ATOM 0 H GLY A 67 26.887 -7.000 -3.084 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.625 -7.555 -4.875 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.800 -9.065 -4.002 1.00 43.11 H new ATOM 971 N ILE A 68 27.195 -9.650 -5.998 1.00 63.14 N ATOM 972 CA ILE A 68 26.143 -10.263 -6.799 1.00 74.20 C ATOM 973 C ILE A 68 25.805 -11.659 -6.287 1.00 31.45 C ATOM 974 O ILE A 68 26.682 -12.393 -5.833 1.00 12.54 O ATOM 975 CB ILE A 68 26.546 -10.355 -8.283 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.123 -9.021 -8.761 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.349 -10.755 -9.132 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.634 -8.998 -8.804 1.00 72.12 C ATOM 0 H ILE A 68 28.142 -9.901 -6.282 1.00 63.14 H new ATOM 0 HA ILE A 68 25.265 -9.624 -6.709 1.00 74.20 H new ATOM 0 HB ILE A 68 27.315 -11.120 -8.389 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.736 -8.803 -9.756 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.774 -8.226 -8.102 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.649 -10.816 -10.178 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.978 -11.726 -8.804 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.561 -10.010 -9.023 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.973 -8.022 -9.152 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.029 -9.185 -7.806 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.990 -9.770 -9.486 1.00 72.12 H new ATOM 990 N TYR A 69 24.529 -12.019 -6.366 1.00 70.53 N ATOM 991 CA TYR A 69 24.076 -13.328 -5.911 1.00 5.55 C ATOM 992 C TYR A 69 23.036 -13.907 -6.865 1.00 31.10 C ATOM 993 O TYR A 69 22.215 -13.179 -7.424 1.00 43.33 O ATOM 994 CB TYR A 69 23.489 -13.226 -4.502 1.00 75.15 C ATOM 995 CG TYR A 69 24.490 -12.779 -3.460 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.750 -11.430 -3.252 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.174 -13.705 -2.683 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.664 -11.017 -2.302 1.00 42.14 C ATOM 999 CE2 TYR A 69 26.089 -13.302 -1.730 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.331 -11.956 -1.544 1.00 12.51 C ATOM 1001 OH TYR A 69 27.242 -11.550 -0.596 1.00 52.05 O ATOM 0 H TYR A 69 23.791 -11.423 -6.741 1.00 70.53 H new ATOM 0 HA TYR A 69 24.937 -13.996 -5.892 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.654 -12.526 -4.515 1.00 75.15 H new ATOM 0 HB3 TYR A 69 23.086 -14.197 -4.214 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.229 -10.692 -3.843 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.987 -14.759 -2.827 1.00 31.25 H new ATOM 0 HE1 TYR A 69 25.855 -9.964 -2.154 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.612 -14.036 -1.134 1.00 72.34 H new ATOM 0 HH TYR A 69 26.813 -10.922 0.022 1.00 52.05 H new ATOM 1011 N LYS A 70 23.078 -15.223 -7.048 1.00 53.33 N ATOM 1012 CA LYS A 70 22.139 -15.902 -7.933 1.00 53.10 C ATOM 1013 C LYS A 70 21.214 -16.821 -7.142 1.00 14.23 C ATOM 1014 O LYS A 70 21.671 -17.684 -6.392 1.00 71.33 O ATOM 1015 CB LYS A 70 22.897 -16.711 -8.988 1.00 4.23 C ATOM 1016 CG LYS A 70 22.001 -17.292 -10.068 1.00 73.02 C ATOM 1017 CD LYS A 70 22.743 -18.308 -10.921 1.00 24.44 C ATOM 1018 CE LYS A 70 22.925 -19.627 -10.184 1.00 24.25 C ATOM 1019 NZ LYS A 70 24.058 -20.419 -10.739 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.752 -15.840 -6.595 1.00 53.33 H new ATOM 0 HA LYS A 70 21.533 -15.144 -8.430 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.647 -16.072 -9.454 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.432 -17.523 -8.496 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.134 -17.766 -9.607 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.625 -16.489 -10.702 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.192 -18.480 -11.846 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.718 -17.908 -11.200 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.102 -19.431 -9.126 1.00 24.25 H new ATOM 0 HE3 LYS A 70 22.007 -20.210 -10.251 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 24.359 -21.130 -10.042 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.753 -20.897 -11.611 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.854 -19.784 -10.952 1.00 5.14 H new ATOM 1033 N VAL A 71 19.909 -16.631 -7.315 1.00 73.11 N ATOM 1034 CA VAL A 71 18.919 -17.444 -6.619 1.00 34.45 C ATOM 1035 C VAL A 71 18.237 -18.416 -7.576 1.00 63.22 C ATOM 1036 O VAL A 71 17.893 -18.056 -8.701 1.00 63.42 O ATOM 1037 CB VAL A 71 17.848 -16.568 -5.945 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.751 -17.433 -5.344 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.478 -15.678 -4.883 1.00 13.51 C ATOM 0 H VAL A 71 19.513 -15.921 -7.931 1.00 73.11 H new ATOM 0 HA VAL A 71 19.452 -18.006 -5.853 1.00 34.45 H new ATOM 0 HB VAL A 71 17.398 -15.927 -6.703 1.00 32.41 H new ATOM 0 HG11 VAL A 71 16.003 -16.796 -4.872 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.281 -18.023 -6.131 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.182 -18.101 -4.598 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.706 -15.066 -4.417 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.956 -16.299 -4.125 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.224 -15.032 -5.346 1.00 13.51 H new ATOM 1049 N GLU A 72 18.043 -19.649 -7.119 1.00 52.24 N ATOM 1050 CA GLU A 72 17.402 -20.674 -7.934 1.00 34.02 C ATOM 1051 C GLU A 72 16.201 -21.273 -7.209 1.00 45.41 C ATOM 1052 O GLU A 72 16.342 -21.869 -6.140 1.00 32.53 O ATOM 1053 CB GLU A 72 18.402 -21.778 -8.287 1.00 24.24 C ATOM 1054 CG GLU A 72 19.608 -21.279 -9.066 1.00 50.22 C ATOM 1055 CD GLU A 72 20.564 -22.396 -9.437 1.00 65.25 C ATOM 1056 OE1 GLU A 72 20.126 -23.356 -10.103 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.751 -22.309 -9.059 1.00 24.10 O1- ATOM 0 H GLU A 72 18.321 -19.962 -6.189 1.00 52.24 H new ATOM 0 HA GLU A 72 17.052 -20.204 -8.853 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.745 -22.254 -7.368 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.893 -22.544 -8.872 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.269 -20.779 -9.973 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.138 -20.535 -8.471 1.00 50.22 H new ATOM 1064 N ILE A 73 15.020 -21.111 -7.797 1.00 61.12 N ATOM 1065 CA ILE A 73 13.796 -21.637 -7.208 1.00 75.21 C ATOM 1066 C ILE A 73 13.355 -22.918 -7.907 1.00 61.50 C ATOM 1067 O ILE A 73 13.320 -22.987 -9.135 1.00 61.15 O ATOM 1068 CB ILE A 73 12.651 -20.608 -7.278 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.139 -19.237 -6.806 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.469 -21.073 -6.439 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.073 -18.166 -6.855 1.00 64.32 C ATOM 0 H ILE A 73 14.886 -20.620 -8.681 1.00 61.12 H new ATOM 0 HA ILE A 73 14.017 -21.854 -6.163 1.00 75.21 H new ATOM 0 HB ILE A 73 12.324 -20.520 -8.314 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.508 -19.324 -5.784 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.982 -18.928 -7.424 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.668 -20.336 -6.498 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.109 -22.030 -6.816 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.782 -21.186 -5.401 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.490 -17.221 -6.506 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.720 -18.051 -7.880 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.239 -18.453 -6.214 1.00 64.32 H new ATOM 1083 N ASP A 74 13.018 -23.931 -7.117 1.00 20.43 N ATOM 1084 CA ASP A 74 12.576 -25.211 -7.658 1.00 51.21 C ATOM 1085 C ASP A 74 11.053 -25.310 -7.646 1.00 25.22 C ATOM 1086 O ASP A 74 10.456 -25.741 -6.659 1.00 75.54 O ATOM 1087 CB ASP A 74 13.181 -26.364 -6.857 1.00 1.22 C ATOM 1088 CG ASP A 74 14.655 -26.562 -7.149 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.183 -25.861 -8.039 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.282 -27.416 -6.488 1.00 5.22 O ATOM 0 H ASP A 74 13.042 -23.891 -6.098 1.00 20.43 H new ATOM 0 HA ASP A 74 12.918 -25.278 -8.691 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.047 -26.172 -5.792 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.642 -27.283 -7.085 1.00 1.22 H new ATOM 1095 N THR A 75 10.431 -24.907 -8.749 1.00 25.23 N ATOM 1096 CA THR A 75 8.979 -24.948 -8.866 1.00 73.01 C ATOM 1097 C THR A 75 8.497 -26.339 -9.261 1.00 65.31 C ATOM 1098 O THR A 75 7.350 -26.707 -9.006 1.00 53.44 O ATOM 1099 CB THR A 75 8.468 -23.926 -9.900 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.712 -24.409 -11.226 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.149 -22.580 -9.712 1.00 30.20 C ATOM 0 H THR A 75 10.911 -24.548 -9.575 1.00 25.23 H new ATOM 0 HA THR A 75 8.577 -24.693 -7.886 1.00 73.01 H new ATOM 0 HB THR A 75 7.396 -23.796 -9.752 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.942 -24.934 -11.530 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.772 -21.875 -10.453 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.938 -22.202 -8.712 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.226 -22.696 -9.836 1.00 30.20 H new ATOM 1109 N LYS A 76 9.381 -27.109 -9.886 1.00 33.31 N ATOM 1110 CA LYS A 76 9.048 -28.462 -10.317 1.00 53.53 C ATOM 1111 C LYS A 76 8.557 -29.302 -9.141 1.00 52.22 C ATOM 1112 O LYS A 76 7.817 -30.269 -9.323 1.00 33.40 O ATOM 1113 CB LYS A 76 10.266 -29.130 -10.959 1.00 42.11 C ATOM 1114 CG LYS A 76 11.236 -29.724 -9.953 1.00 35.11 C ATOM 1115 CD LYS A 76 11.991 -28.640 -9.199 1.00 64.45 C ATOM 1116 CE LYS A 76 12.880 -27.831 -10.130 1.00 4.34 C ATOM 1117 NZ LYS A 76 14.320 -27.962 -9.775 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.334 -26.819 -10.106 1.00 33.31 H new ATOM 0 HA LYS A 76 8.247 -28.395 -11.054 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.925 -29.918 -11.631 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.793 -28.396 -11.569 1.00 42.11 H new ATOM 0 HG2 LYS A 76 10.691 -30.348 -9.245 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.945 -30.371 -10.469 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.281 -27.977 -8.705 1.00 64.45 H new ATOM 0 HD3 LYS A 76 12.599 -29.095 -8.417 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.728 -28.163 -11.157 1.00 4.34 H new ATOM 0 HE3 LYS A 76 12.590 -26.781 -10.088 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 14.716 -27.021 -9.578 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 14.416 -28.562 -8.931 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 14.835 -28.395 -10.568 1.00 11.00 H new ATOM 1131 N SER A 77 8.971 -28.925 -7.936 1.00 50.35 N ATOM 1132 CA SER A 77 8.575 -29.643 -6.732 1.00 24.21 C ATOM 1133 C SER A 77 7.184 -29.214 -6.275 1.00 74.33 C ATOM 1134 O SER A 77 6.446 -29.996 -5.674 1.00 24.13 O ATOM 1135 CB SER A 77 9.588 -29.403 -5.611 1.00 2.11 C ATOM 1136 OG SER A 77 10.890 -29.800 -6.006 1.00 64.04 O ATOM 0 H SER A 77 9.581 -28.125 -7.768 1.00 50.35 H new ATOM 0 HA SER A 77 8.550 -30.707 -6.967 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.593 -28.347 -5.341 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.289 -29.958 -4.722 1.00 2.11 H new ATOM 0 HG SER A 77 11.519 -29.635 -5.273 1.00 64.04 H new ATOM 1142 N TYR A 78 6.832 -27.967 -6.565 1.00 62.35 N ATOM 1143 CA TYR A 78 5.530 -27.431 -6.183 1.00 72.42 C ATOM 1144 C TYR A 78 4.468 -27.795 -7.216 1.00 51.41 C ATOM 1145 O TYR A 78 3.285 -27.909 -6.891 1.00 23.54 O ATOM 1146 CB TYR A 78 5.607 -25.912 -6.026 1.00 12.14 C ATOM 1147 CG TYR A 78 4.322 -25.289 -5.533 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.661 -25.798 -4.420 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.765 -24.191 -6.178 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.486 -25.231 -3.966 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.591 -23.618 -5.730 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.955 -24.142 -4.624 1.00 21.50 C ATOM 1153 OH TYR A 78 0.784 -23.575 -4.175 1.00 72.23 O ATOM 0 H TYR A 78 7.430 -27.308 -7.063 1.00 62.35 H new ATOM 0 HA TYR A 78 5.248 -27.874 -5.228 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.410 -25.667 -5.331 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.871 -25.469 -6.986 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.073 -26.651 -3.902 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.259 -23.778 -7.045 1.00 70.41 H new ATOM 0 HE1 TYR A 78 1.986 -25.639 -3.100 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.173 -22.764 -6.243 1.00 34.34 H new ATOM 0 HH TYR A 78 0.783 -22.618 -4.384 1.00 72.23 H new ATOM 1163 N TRP A 79 4.897 -27.976 -8.459 1.00 73.24 N ATOM 1164 CA TRP A 79 3.984 -28.327 -9.540 1.00 62.55 C ATOM 1165 C TRP A 79 3.631 -29.809 -9.495 1.00 11.32 C ATOM 1166 O TRP A 79 2.579 -30.223 -9.985 1.00 34.45 O ATOM 1167 CB TRP A 79 4.606 -27.980 -10.894 1.00 35.20 C ATOM 1168 CG TRP A 79 4.857 -26.513 -11.073 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.026 -25.923 -11.458 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.917 -25.451 -10.871 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.871 -24.558 -11.508 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.586 -24.244 -11.154 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.576 -25.403 -10.482 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.957 -23.006 -11.057 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.954 -24.173 -10.387 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.643 -22.988 -10.674 1.00 2.41 C ATOM 0 H TRP A 79 5.872 -27.885 -8.744 1.00 73.24 H new ATOM 0 HA TRP A 79 3.068 -27.750 -9.410 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.548 -28.518 -11.002 1.00 35.20 H new ATOM 0 HB3 TRP A 79 3.947 -28.328 -11.689 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.939 -26.451 -11.689 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.595 -23.888 -11.767 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.035 -26.311 -10.260 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.487 -22.091 -11.276 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.918 -24.124 -10.086 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.128 -22.042 -10.592 1.00 2.41 H new ATOM 1187 N LYS A 80 4.515 -30.605 -8.902 1.00 14.35 N ATOM 1188 CA LYS A 80 4.297 -32.043 -8.791 1.00 74.13 C ATOM 1189 C LYS A 80 3.352 -32.362 -7.636 1.00 72.35 C ATOM 1190 O LYS A 80 2.745 -33.431 -7.596 1.00 42.42 O ATOM 1191 CB LYS A 80 5.629 -32.768 -8.590 1.00 2.35 C ATOM 1192 CG LYS A 80 6.152 -32.694 -7.167 1.00 11.13 C ATOM 1193 CD LYS A 80 5.948 -34.007 -6.428 1.00 4.54 C ATOM 1194 CE LYS A 80 7.141 -34.935 -6.598 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.137 -36.034 -5.595 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.389 -30.278 -8.491 1.00 14.35 H new ATOM 0 HA LYS A 80 3.839 -32.389 -9.718 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.509 -33.815 -8.870 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.371 -32.340 -9.264 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.213 -32.444 -7.181 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.643 -31.892 -6.633 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.789 -33.808 -5.368 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.048 -34.498 -6.799 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.130 -35.360 -7.602 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.063 -34.362 -6.504 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 7.966 -36.644 -5.745 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.173 -35.630 -4.637 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.269 -36.597 -5.701 1.00 15.12 H new ATOM 1209 N ALA A 81 3.233 -31.426 -6.700 1.00 25.24 N ATOM 1210 CA ALA A 81 2.361 -31.607 -5.547 1.00 60.14 C ATOM 1211 C ALA A 81 0.897 -31.668 -5.970 1.00 25.04 C ATOM 1212 O ALA A 81 0.103 -32.411 -5.390 1.00 75.40 O ATOM 1213 CB ALA A 81 2.574 -30.484 -4.542 1.00 62.23 C ATOM 0 H ALA A 81 3.730 -30.535 -6.718 1.00 25.24 H new ATOM 0 HA ALA A 81 2.617 -32.556 -5.076 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.916 -30.632 -3.686 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.611 -30.487 -4.207 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.348 -29.527 -5.012 1.00 62.23 H new ATOM 1219 N LEU A 82 0.546 -30.885 -6.983 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.825 -30.850 -7.484 1.00 42.14 C ATOM 1221 C LEU A 82 -0.922 -31.522 -8.850 1.00 63.11 C ATOM 1222 O LEU A 82 -1.992 -31.973 -9.257 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.317 -29.406 -7.578 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.239 -28.323 -7.527 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.653 -28.400 -8.758 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.871 -26.944 -7.409 1.00 52.23 C ATOM 0 H LEU A 82 1.190 -30.266 -7.474 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.456 -31.398 -6.784 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.873 -29.293 -8.509 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -2.020 -29.229 -6.764 1.00 1.31 H new ATOM 0 HG LEU A 82 0.378 -28.493 -6.645 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.414 -27.622 -8.705 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.135 -29.377 -8.798 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.049 -28.256 -9.654 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.088 -26.187 -7.374 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.513 -26.763 -8.271 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.466 -26.893 -6.497 1.00 52.23 H new ATOM 1238 N GLY A 83 0.205 -31.588 -9.554 1.00 74.15 N ATOM 1239 CA GLY A 83 0.225 -32.207 -10.865 1.00 24.44 C ATOM 1240 C GLY A 83 -0.023 -31.213 -11.982 1.00 53.33 C ATOM 1241 O GLY A 83 -0.818 -31.469 -12.885 1.00 44.53 O ATOM 0 H GLY A 83 1.104 -31.223 -9.239 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.190 -32.689 -11.020 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.533 -32.990 -10.905 1.00 24.44 H new ATOM 1245 N ILE A 84 0.658 -30.073 -11.918 1.00 11.52 N ATOM 1246 CA ILE A 84 0.506 -29.037 -12.931 1.00 73.53 C ATOM 1247 C ILE A 84 1.524 -29.211 -14.054 1.00 73.31 C ATOM 1248 O ILE A 84 2.682 -29.551 -13.809 1.00 12.13 O ATOM 1249 CB ILE A 84 0.664 -27.629 -12.325 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.708 -27.033 -12.002 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.431 -26.725 -13.277 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.625 -27.987 -11.271 1.00 31.45 C ATOM 0 H ILE A 84 1.319 -29.844 -11.176 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.500 -29.139 -13.337 1.00 73.53 H new ATOM 0 HB ILE A 84 1.231 -27.710 -11.398 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.572 -26.137 -11.396 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.187 -26.721 -12.930 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.534 -25.734 -12.834 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.420 -27.145 -13.460 1.00 54.52 H new ATOM 0 HG23 ILE A 84 0.890 -26.647 -14.220 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.579 -27.497 -11.075 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.791 -28.873 -11.884 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.167 -28.280 -10.326 1.00 31.45 H new ATOM 1264 N SER A 85 1.085 -28.974 -15.285 1.00 52.21 N ATOM 1265 CA SER A 85 1.958 -29.106 -16.447 1.00 24.12 C ATOM 1266 C SER A 85 3.235 -28.293 -16.262 1.00 3.33 C ATOM 1267 O SER A 85 3.227 -27.063 -16.288 1.00 53.24 O ATOM 1268 CB SER A 85 1.229 -28.652 -17.712 1.00 54.52 C ATOM 1269 OG SER A 85 1.853 -29.169 -18.874 1.00 23.32 O ATOM 0 H SER A 85 0.130 -28.690 -15.505 1.00 52.21 H new ATOM 0 HA SER A 85 2.229 -30.157 -16.550 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.191 -28.982 -17.675 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.216 -27.563 -17.757 1.00 54.52 H new ATOM 0 HG SER A 85 1.367 -28.866 -19.669 1.00 23.32 H new ATOM 1275 N PRO A 86 4.361 -28.997 -16.070 1.00 42.12 N ATOM 1276 CA PRO A 86 5.668 -28.363 -15.878 1.00 71.24 C ATOM 1277 C PRO A 86 6.183 -27.698 -17.151 1.00 40.35 C ATOM 1278 O PRO A 86 6.531 -28.376 -18.117 1.00 12.43 O ATOM 1279 CB PRO A 86 6.574 -29.530 -15.479 1.00 45.12 C ATOM 1280 CG PRO A 86 5.923 -30.733 -16.070 1.00 24.31 C ATOM 1281 CD PRO A 86 4.444 -30.466 -16.027 1.00 65.12 C ATOM 0 HA PRO A 86 5.628 -27.565 -15.137 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.585 -29.397 -15.865 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.655 -29.616 -14.395 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.261 -30.896 -17.093 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.174 -31.630 -15.504 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.929 -30.922 -16.872 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.989 -30.868 -15.122 1.00 65.12 H new ATOM 1289 N MET A 87 6.230 -26.371 -17.143 1.00 43.33 N ATOM 1290 CA MET A 87 6.705 -25.616 -18.296 1.00 1.42 C ATOM 1291 C MET A 87 8.174 -25.241 -18.134 1.00 55.04 C ATOM 1292 O MET A 87 8.985 -25.465 -19.032 1.00 10.13 O ATOM 1293 CB MET A 87 5.863 -24.353 -18.489 1.00 20.04 C ATOM 1294 CG MET A 87 4.485 -24.625 -19.072 1.00 72.24 C ATOM 1295 SD MET A 87 4.508 -24.776 -20.868 1.00 22.31 S ATOM 1296 CE MET A 87 2.816 -25.268 -21.189 1.00 35.42 C ATOM 0 H MET A 87 5.945 -25.796 -16.351 1.00 43.33 H new ATOM 0 HA MET A 87 6.605 -26.249 -19.178 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.749 -23.851 -17.528 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.397 -23.667 -19.146 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.086 -25.543 -18.639 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.809 -23.819 -18.788 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.673 -25.401 -22.261 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.606 -26.206 -20.676 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.137 -24.496 -20.826 1.00 35.42 H new ATOM 1306 N HIS A 88 8.511 -24.668 -16.983 1.00 0.52 N ATOM 1307 CA HIS A 88 9.883 -24.262 -16.703 1.00 51.21 C ATOM 1308 C HIS A 88 10.500 -25.142 -15.620 1.00 23.12 C ATOM 1309 O HIS A 88 9.963 -25.253 -14.518 1.00 50.35 O ATOM 1310 CB HIS A 88 9.926 -22.796 -16.270 1.00 24.12 C ATOM 1311 CG HIS A 88 9.074 -22.499 -15.075 1.00 62.11 C ATOM 1312 ND1 HIS A 88 7.711 -22.309 -15.150 1.00 74.54 N ATOM 1313 CD2 HIS A 88 9.401 -22.362 -13.768 1.00 20.22 C ATOM 1314 CE1 HIS A 88 7.235 -22.066 -13.942 1.00 21.10 C ATOM 1315 NE2 HIS A 88 8.240 -22.093 -13.085 1.00 3.14 N ATOM 0 H HIS A 88 7.852 -24.474 -16.229 1.00 0.52 H new ATOM 0 HA HIS A 88 10.464 -24.380 -17.618 1.00 51.21 H new ATOM 0 HB2 HIS A 88 10.957 -22.521 -16.048 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.602 -22.170 -17.102 1.00 24.12 H new ATOM 0 HD1 HIS A 88 7.156 -22.350 -16.005 1.00 74.54 H new ATOM 0 HD2 HIS A 88 10.390 -22.448 -13.342 1.00 20.22 H new ATOM 0 HE1 HIS A 88 6.200 -21.877 -13.697 1.00 21.10 H new ATOM 1323 N GLU A 89 11.628 -25.766 -15.942 1.00 53.32 N ATOM 1324 CA GLU A 89 12.316 -26.637 -14.996 1.00 13.34 C ATOM 1325 C GLU A 89 12.528 -25.930 -13.661 1.00 2.34 C ATOM 1326 O GLU A 89 12.228 -26.479 -12.600 1.00 33.31 O ATOM 1327 CB GLU A 89 13.662 -27.086 -15.568 1.00 13.54 C ATOM 1328 CG GLU A 89 14.515 -25.941 -16.086 1.00 22.51 C ATOM 1329 CD GLU A 89 15.731 -26.421 -16.856 1.00 44.10 C ATOM 1330 OE1 GLU A 89 15.992 -27.643 -16.851 1.00 63.34 O ATOM 1331 OE2 GLU A 89 16.421 -25.577 -17.464 1.00 31.10 O1- ATOM 0 H GLU A 89 12.085 -25.685 -16.850 1.00 53.32 H new ATOM 0 HA GLU A 89 11.691 -27.514 -14.828 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.216 -27.620 -14.796 1.00 13.54 H new ATOM 0 HB3 GLU A 89 13.485 -27.792 -16.379 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.909 -25.304 -16.731 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.840 -25.327 -15.247 1.00 22.51 H new ATOM 1338 N HIS A 90 13.049 -24.709 -13.721 1.00 12.33 N ATOM 1339 CA HIS A 90 13.303 -23.926 -12.516 1.00 64.04 C ATOM 1340 C HIS A 90 13.417 -22.441 -12.849 1.00 64.34 C ATOM 1341 O HIS A 90 13.486 -22.059 -14.016 1.00 61.10 O ATOM 1342 CB HIS A 90 14.581 -24.406 -11.830 1.00 14.33 C ATOM 1343 CG HIS A 90 15.733 -24.592 -12.769 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.335 -25.812 -12.990 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.391 -23.702 -13.548 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.315 -25.665 -13.863 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.370 -24.394 -14.218 1.00 64.31 N ATOM 0 H HIS A 90 13.304 -24.240 -14.590 1.00 12.33 H new ATOM 0 HA HIS A 90 12.462 -24.066 -11.837 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.863 -23.687 -11.061 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.379 -25.350 -11.324 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.185 -22.645 -13.628 1.00 24.13 H new ATOM 0 HE1 HIS A 90 17.962 -26.451 -14.225 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.032 -23.992 -14.882 1.00 64.31 H new ATOM 1355 N ALA A 91 13.436 -21.608 -11.813 1.00 30.43 N ATOM 1356 CA ALA A 91 13.544 -20.166 -11.994 1.00 4.31 C ATOM 1357 C ALA A 91 14.840 -19.632 -11.394 1.00 13.54 C ATOM 1358 O ALA A 91 15.062 -19.730 -10.188 1.00 55.12 O ATOM 1359 CB ALA A 91 12.344 -19.465 -11.374 1.00 53.12 C ATOM 0 H ALA A 91 13.378 -21.908 -10.840 1.00 30.43 H new ATOM 0 HA ALA A 91 13.559 -19.959 -13.064 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.438 -18.388 -11.517 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.430 -19.816 -11.853 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.303 -19.688 -10.308 1.00 53.12 H new ATOM 1365 N GLU A 92 15.692 -19.067 -12.244 1.00 71.53 N ATOM 1366 CA GLU A 92 16.967 -18.519 -11.796 1.00 22.11 C ATOM 1367 C GLU A 92 17.028 -17.014 -12.041 1.00 21.04 C ATOM 1368 O GLU A 92 16.728 -16.540 -13.135 1.00 35.42 O ATOM 1369 CB GLU A 92 18.126 -19.212 -12.515 1.00 20.12 C ATOM 1370 CG GLU A 92 17.975 -20.722 -12.598 1.00 3.34 C ATOM 1371 CD GLU A 92 19.302 -21.432 -12.787 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.349 -20.752 -12.746 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.292 -22.665 -12.976 1.00 1.44 O1- ATOM 0 H GLU A 92 15.523 -18.977 -13.246 1.00 71.53 H new ATOM 0 HA GLU A 92 17.055 -18.699 -10.725 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.210 -18.808 -13.524 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.056 -18.976 -11.998 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.499 -21.086 -11.688 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.312 -20.972 -13.426 1.00 3.34 H new ATOM 1380 N VAL A 93 17.421 -16.269 -11.012 1.00 13.33 N ATOM 1381 CA VAL A 93 17.524 -14.818 -11.114 1.00 70.50 C ATOM 1382 C VAL A 93 18.797 -14.309 -10.449 1.00 3.53 C ATOM 1383 O VAL A 93 19.214 -14.820 -9.410 1.00 12.13 O ATOM 1384 CB VAL A 93 16.309 -14.123 -10.472 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.416 -12.613 -10.621 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.014 -14.637 -11.086 1.00 45.53 C ATOM 0 H VAL A 93 17.673 -16.647 -10.099 1.00 13.33 H new ATOM 0 HA VAL A 93 17.552 -14.577 -12.177 1.00 70.50 H new ATOM 0 HB VAL A 93 16.299 -14.359 -9.408 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.548 -12.140 -10.161 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.324 -12.262 -10.130 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.453 -12.353 -11.679 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.166 -14.135 -10.620 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.013 -14.433 -12.157 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.935 -15.712 -10.921 1.00 45.53 H new ATOM 1396 N VAL A 94 19.411 -13.297 -11.056 1.00 2.22 N ATOM 1397 CA VAL A 94 20.637 -12.717 -10.522 1.00 2.02 C ATOM 1398 C VAL A 94 20.382 -11.330 -9.943 1.00 12.31 C ATOM 1399 O VAL A 94 19.751 -10.486 -10.580 1.00 50.11 O ATOM 1400 CB VAL A 94 21.728 -12.616 -11.604 1.00 14.01 C ATOM 1401 CG1 VAL A 94 23.007 -12.034 -11.021 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.988 -13.980 -12.226 1.00 30.43 C ATOM 0 H VAL A 94 19.079 -12.863 -11.917 1.00 2.22 H new ATOM 0 HA VAL A 94 20.982 -13.381 -9.729 1.00 2.02 H new ATOM 0 HB VAL A 94 21.377 -11.945 -12.388 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.766 -11.970 -11.801 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.807 -11.038 -10.627 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.366 -12.677 -10.217 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.762 -13.891 -12.989 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.318 -14.675 -11.454 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.071 -14.353 -12.682 1.00 30.43 H new ATOM 1412 N PHE A 95 20.876 -11.100 -8.731 1.00 1.21 N ATOM 1413 CA PHE A 95 20.701 -9.814 -8.065 1.00 71.43 C ATOM 1414 C PHE A 95 22.051 -9.193 -7.719 1.00 71.25 C ATOM 1415 O PHE A 95 22.906 -9.837 -7.109 1.00 40.21 O ATOM 1416 CB PHE A 95 19.864 -9.984 -6.796 1.00 71.11 C ATOM 1417 CG PHE A 95 18.600 -10.765 -7.011 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.612 -12.151 -6.978 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.399 -10.116 -7.245 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.451 -12.873 -7.177 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.234 -10.831 -7.445 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.260 -12.212 -7.409 1.00 23.11 C ATOM 0 H PHE A 95 21.401 -11.787 -8.190 1.00 1.21 H new ATOM 0 HA PHE A 95 20.179 -9.146 -8.750 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.466 -10.485 -6.038 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.611 -8.999 -6.403 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.540 -12.672 -6.795 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.373 -9.037 -7.271 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.474 -13.952 -7.151 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.305 -10.312 -7.629 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.351 -12.774 -7.562 1.00 23.11 H new ATOM 1432 N THR A 96 22.236 -7.937 -8.112 1.00 53.44 N ATOM 1433 CA THR A 96 23.481 -7.228 -7.846 1.00 53.12 C ATOM 1434 C THR A 96 23.311 -6.225 -6.709 1.00 30.54 C ATOM 1435 O THR A 96 22.321 -5.497 -6.656 1.00 64.13 O ATOM 1436 CB THR A 96 23.985 -6.487 -9.099 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.041 -7.387 -10.210 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.362 -5.886 -8.856 1.00 22.52 C ATOM 0 H THR A 96 21.539 -7.389 -8.616 1.00 53.44 H new ATOM 0 HA THR A 96 24.217 -7.979 -7.557 1.00 53.12 H new ATOM 0 HB THR A 96 23.288 -5.679 -9.321 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.361 -6.908 -11.003 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.697 -5.368 -9.755 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.309 -5.179 -8.028 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.067 -6.680 -8.611 1.00 22.52 H new ATOM 1446 N ALA A 97 24.285 -6.193 -5.805 1.00 62.01 N ATOM 1447 CA ALA A 97 24.243 -5.278 -4.671 1.00 43.35 C ATOM 1448 C ALA A 97 25.423 -4.313 -4.702 1.00 12.42 C ATOM 1449 O ALA A 97 26.442 -4.583 -5.337 1.00 52.21 O ATOM 1450 CB ALA A 97 24.229 -6.056 -3.364 1.00 10.43 C ATOM 0 H ALA A 97 25.112 -6.790 -5.836 1.00 62.01 H new ATOM 0 HA ALA A 97 23.326 -4.693 -4.741 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.198 -5.359 -2.526 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.350 -6.700 -3.333 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.129 -6.667 -3.294 1.00 10.43 H new ATOM 1456 N ASN A 98 25.279 -3.186 -4.011 1.00 22.42 N ATOM 1457 CA ASN A 98 26.334 -2.181 -3.962 1.00 70.24 C ATOM 1458 C ASN A 98 26.948 -2.105 -2.567 1.00 0.21 C ATOM 1459 O ASN A 98 26.583 -2.872 -1.675 1.00 44.32 O ATOM 1460 CB ASN A 98 25.781 -0.811 -4.361 1.00 53.32 C ATOM 1461 CG ASN A 98 26.801 0.032 -5.100 1.00 65.42 C ATOM 1462 OD1 ASN A 98 27.184 1.108 -4.641 1.00 61.01 O ATOM 1463 ND2 ASN A 98 27.247 -0.455 -6.253 1.00 50.32 N ATOM 0 H ASN A 98 24.443 -2.947 -3.478 1.00 22.42 H new ATOM 0 HA ASN A 98 27.112 -2.472 -4.668 1.00 70.24 H new ATOM 0 HB2 ASN A 98 24.902 -0.947 -4.990 1.00 53.32 H new ATOM 0 HB3 ASN A 98 25.454 -0.280 -3.467 1.00 53.32 H new ATOM 0 HD21 ASN A 98 27.935 0.068 -6.796 1.00 50.32 H new ATOM 0 HD22 ASN A 98 26.902 -1.352 -6.596 1.00 50.32 H new ATOM 1470 N ASP A 99 27.882 -1.178 -2.386 1.00 15.12 N ATOM 1471 CA ASP A 99 28.546 -1.002 -1.101 1.00 4.24 C ATOM 1472 C ASP A 99 27.628 -0.298 -0.107 1.00 73.21 C ATOM 1473 O ASP A 99 27.766 -0.463 1.105 1.00 53.11 O ATOM 1474 CB ASP A 99 29.838 -0.203 -1.275 1.00 62.12 C ATOM 1475 CG ASP A 99 29.584 1.206 -1.773 1.00 13.14 C ATOM 1476 OD1 ASP A 99 29.333 1.371 -2.984 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 29.638 2.145 -0.950 1.00 55.13 O ATOM 0 H ASP A 99 28.196 -0.536 -3.114 1.00 15.12 H new ATOM 0 HA ASP A 99 28.789 -1.989 -0.708 1.00 4.24 H new ATOM 0 HB2 ASP A 99 30.366 -0.159 -0.322 1.00 62.12 H new ATOM 0 HB3 ASP A 99 30.491 -0.721 -1.977 1.00 62.12 H new ATOM 1482 N SER A 100 26.692 0.489 -0.628 1.00 64.11 N ATOM 1483 CA SER A 100 25.753 1.222 0.214 1.00 51.44 C ATOM 1484 C SER A 100 24.327 0.726 -0.002 1.00 2.13 C ATOM 1485 O SER A 100 24.049 -0.005 -0.952 1.00 24.13 O ATOM 1486 CB SER A 100 25.835 2.721 -0.083 1.00 72.33 C ATOM 1487 OG SER A 100 25.504 2.992 -1.434 1.00 61.25 O ATOM 0 H SER A 100 26.564 0.636 -1.629 1.00 64.11 H new ATOM 0 HA SER A 100 26.024 1.049 1.255 1.00 51.44 H new ATOM 0 HB2 SER A 100 25.157 3.263 0.577 1.00 72.33 H new ATOM 0 HB3 SER A 100 26.842 3.082 0.128 1.00 72.33 H new ATOM 0 HG SER A 100 25.562 3.956 -1.598 1.00 61.25 H new ATOM 1493 N GLY A 101 23.426 1.128 0.889 1.00 42.21 N ATOM 1494 CA GLY A 101 22.039 0.716 0.780 1.00 53.22 C ATOM 1495 C GLY A 101 21.424 0.386 2.125 1.00 10.13 C ATOM 1496 O GLY A 101 22.071 0.484 3.168 1.00 41.01 O ATOM 0 H GLY A 101 23.632 1.732 1.685 1.00 42.21 H new ATOM 0 HA2 GLY A 101 21.463 1.511 0.306 1.00 53.22 H new ATOM 0 HA3 GLY A 101 21.973 -0.156 0.130 1.00 53.22 H new ATOM 1500 N PRO A 102 20.145 -0.014 2.113 1.00 72.31 N ATOM 1501 CA PRO A 102 19.415 -0.368 3.334 1.00 62.41 C ATOM 1502 C PRO A 102 19.918 -1.666 3.956 1.00 55.41 C ATOM 1503 O PRO A 102 20.940 -2.210 3.538 1.00 30.03 O ATOM 1504 CB PRO A 102 17.972 -0.530 2.849 1.00 3.05 C ATOM 1505 CG PRO A 102 18.093 -0.880 1.407 1.00 21.03 C ATOM 1506 CD PRO A 102 19.312 -0.155 0.907 1.00 22.35 C ATOM 0 HA PRO A 102 19.536 0.384 4.114 1.00 62.41 H new ATOM 0 HB2 PRO A 102 17.454 -1.312 3.404 1.00 3.05 H new ATOM 0 HB3 PRO A 102 17.403 0.389 2.987 1.00 3.05 H new ATOM 0 HG2 PRO A 102 18.197 -1.957 1.274 1.00 21.03 H new ATOM 0 HG3 PRO A 102 17.204 -0.575 0.855 1.00 21.03 H new ATOM 0 HD2 PRO A 102 19.825 -0.720 0.129 1.00 22.35 H new ATOM 0 HD3 PRO A 102 19.056 0.815 0.480 1.00 22.35 H new ATOM 1514 N ARG A 103 19.193 -2.157 4.956 1.00 52.42 N ATOM 1515 CA ARG A 103 19.566 -3.392 5.636 1.00 64.24 C ATOM 1516 C ARG A 103 18.344 -4.273 5.873 1.00 1.20 C ATOM 1517 O ARG A 103 18.258 -4.974 6.881 1.00 43.01 O ATOM 1518 CB ARG A 103 20.249 -3.078 6.968 1.00 21.14 C ATOM 1519 CG ARG A 103 21.119 -4.212 7.487 1.00 71.15 C ATOM 1520 CD ARG A 103 22.061 -3.734 8.582 1.00 40.02 C ATOM 1521 NE ARG A 103 23.161 -2.936 8.048 1.00 23.44 N ATOM 1522 CZ ARG A 103 24.177 -3.451 7.363 1.00 72.30 C ATOM 1523 NH1 ARG A 103 24.230 -4.755 7.129 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 25.140 -2.660 6.909 1.00 23.55 N ATOM 0 H ARG A 103 18.344 -1.719 5.313 1.00 52.42 H new ATOM 0 HA ARG A 103 20.263 -3.934 4.997 1.00 64.24 H new ATOM 0 HB2 ARG A 103 20.863 -2.185 6.851 1.00 21.14 H new ATOM 0 HB3 ARG A 103 19.487 -2.846 7.712 1.00 21.14 H new ATOM 0 HG2 ARG A 103 20.486 -5.011 7.873 1.00 71.15 H new ATOM 0 HG3 ARG A 103 21.698 -4.633 6.665 1.00 71.15 H new ATOM 0 HD2 ARG A 103 21.503 -3.142 9.307 1.00 40.02 H new ATOM 0 HD3 ARG A 103 22.464 -4.595 9.115 1.00 40.02 H new ATOM 0 HE ARG A 103 23.149 -1.929 8.209 1.00 23.44 H new ATOM 0 HH11 ARG A 103 23.490 -5.366 7.475 1.00 12.31 H new ATOM 0 HH12 ARG A 103 25.011 -5.147 6.603 1.00 12.31 H new ATOM 0 HH21 ARG A 103 25.101 -1.656 7.086 1.00 23.55 H new ATOM 0 HH22 ARG A 103 25.920 -3.056 6.383 1.00 23.55 H new ATOM 1538 N ARG A 104 17.400 -4.233 4.937 1.00 42.23 N ATOM 1539 CA ARG A 104 16.182 -5.025 5.046 1.00 3.34 C ATOM 1540 C ARG A 104 15.295 -4.831 3.819 1.00 11.24 C ATOM 1541 O ARG A 104 14.666 -3.785 3.656 1.00 3.33 O ATOM 1542 CB ARG A 104 15.412 -4.646 6.311 1.00 1.21 C ATOM 1543 CG ARG A 104 15.303 -3.145 6.530 1.00 52.32 C ATOM 1544 CD ARG A 104 14.060 -2.787 7.331 1.00 23.35 C ATOM 1545 NE ARG A 104 13.646 -1.405 7.109 1.00 23.43 N ATOM 1546 CZ ARG A 104 14.197 -0.365 7.724 1.00 61.22 C ATOM 1547 NH1 ARG A 104 15.181 -0.550 8.594 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 13.766 0.864 7.469 1.00 61.40 N ATOM 0 H ARG A 104 17.456 -3.660 4.095 1.00 42.23 H new ATOM 0 HA ARG A 104 16.467 -6.076 5.104 1.00 3.34 H new ATOM 0 HB2 ARG A 104 14.410 -5.071 6.257 1.00 1.21 H new ATOM 0 HB3 ARG A 104 15.903 -5.096 7.174 1.00 1.21 H new ATOM 0 HG2 ARG A 104 16.190 -2.787 7.053 1.00 52.32 H new ATOM 0 HG3 ARG A 104 15.275 -2.637 5.566 1.00 52.32 H new ATOM 0 HD2 ARG A 104 13.246 -3.458 7.056 1.00 23.35 H new ATOM 0 HD3 ARG A 104 14.256 -2.941 8.392 1.00 23.35 H new ATOM 0 HE ARG A 104 12.892 -1.228 6.445 1.00 23.43 H new ATOM 0 HH11 ARG A 104 15.516 -1.493 8.792 1.00 21.23 H new ATOM 0 HH12 ARG A 104 15.603 0.251 9.065 1.00 21.23 H new ATOM 0 HH21 ARG A 104 13.010 1.011 6.800 1.00 61.40 H new ATOM 0 HH22 ARG A 104 14.190 1.662 7.942 1.00 61.40 H new ATOM 1562 N TYR A 105 15.251 -5.844 2.961 1.00 64.52 N ATOM 1563 CA TYR A 105 14.444 -5.783 1.748 1.00 43.23 C ATOM 1564 C TYR A 105 13.925 -7.166 1.369 1.00 12.34 C ATOM 1565 O TYR A 105 14.662 -8.152 1.407 1.00 73.32 O ATOM 1566 CB TYR A 105 15.263 -5.199 0.595 1.00 4.01 C ATOM 1567 CG TYR A 105 16.654 -5.777 0.486 1.00 12.10 C ATOM 1568 CD1 TYR A 105 17.708 -5.247 1.221 1.00 71.31 C ATOM 1569 CD2 TYR A 105 16.916 -6.856 -0.350 1.00 32.04 C ATOM 1570 CE1 TYR A 105 18.981 -5.774 1.125 1.00 24.24 C ATOM 1571 CE2 TYR A 105 18.187 -7.388 -0.452 1.00 72.42 C ATOM 1572 CZ TYR A 105 19.216 -6.843 0.287 1.00 22.41 C ATOM 1573 OH TYR A 105 20.484 -7.371 0.188 1.00 41.31 O ATOM 0 H TYR A 105 15.764 -6.717 3.083 1.00 64.52 H new ATOM 0 HA TYR A 105 13.589 -5.135 1.942 1.00 43.23 H new ATOM 0 HB2 TYR A 105 14.732 -5.373 -0.341 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.337 -4.119 0.724 1.00 4.01 H new ATOM 0 HD1 TYR A 105 17.528 -4.409 1.878 1.00 71.31 H new ATOM 0 HD2 TYR A 105 16.112 -7.286 -0.930 1.00 32.04 H new ATOM 0 HE1 TYR A 105 19.789 -5.351 1.704 1.00 24.24 H new ATOM 0 HE2 TYR A 105 18.374 -8.226 -1.107 1.00 72.42 H new ATOM 0 HH TYR A 105 20.478 -8.120 -0.444 1.00 41.31 H new ATOM 1583 N THR A 106 12.649 -7.232 1.002 1.00 61.33 N ATOM 1584 CA THR A 106 12.029 -8.493 0.615 1.00 12.11 C ATOM 1585 C THR A 106 11.761 -8.538 -0.885 1.00 32.31 C ATOM 1586 O THR A 106 11.390 -7.530 -1.488 1.00 11.53 O ATOM 1587 CB THR A 106 10.705 -8.723 1.369 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.954 -8.818 2.776 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.019 -9.991 0.883 1.00 20.22 C ATOM 0 H THR A 106 12.025 -6.426 0.965 1.00 61.33 H new ATOM 0 HA THR A 106 12.731 -9.284 0.879 1.00 12.11 H new ATOM 0 HB THR A 106 10.048 -7.876 1.173 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.108 -8.963 3.249 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.087 -10.133 1.430 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.805 -9.904 -0.182 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.673 -10.846 1.053 1.00 20.22 H new ATOM 1597 N ILE A 107 11.950 -9.710 -1.481 1.00 71.42 N ATOM 1598 CA ILE A 107 11.726 -9.885 -2.909 1.00 74.04 C ATOM 1599 C ILE A 107 10.488 -10.736 -3.173 1.00 33.14 C ATOM 1600 O ILE A 107 10.441 -11.911 -2.809 1.00 43.14 O ATOM 1601 CB ILE A 107 12.940 -10.541 -3.594 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.215 -9.753 -3.283 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.718 -10.629 -5.096 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.158 -8.310 -3.732 1.00 2.32 C ATOM 0 H ILE A 107 12.258 -10.553 -0.996 1.00 71.42 H new ATOM 0 HA ILE A 107 11.576 -8.890 -3.327 1.00 74.04 H new ATOM 0 HB ILE A 107 13.056 -11.552 -3.205 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.399 -9.784 -2.209 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.061 -10.242 -3.765 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.585 -11.095 -5.565 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.830 -11.228 -5.298 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.580 -9.627 -5.503 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.095 -7.813 -3.479 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.006 -8.270 -4.811 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.333 -7.805 -3.230 1.00 2.32 H new ATOM 1616 N ALA A 108 9.487 -10.134 -3.809 1.00 44.40 N ATOM 1617 CA ALA A 108 8.251 -10.838 -4.124 1.00 61.41 C ATOM 1618 C ALA A 108 8.286 -11.402 -5.540 1.00 62.14 C ATOM 1619 O ALA A 108 8.380 -10.656 -6.514 1.00 70.45 O ATOM 1620 CB ALA A 108 7.058 -9.910 -3.953 1.00 74.04 C ATOM 0 H ALA A 108 9.509 -9.161 -4.115 1.00 44.40 H new ATOM 0 HA ALA A 108 8.151 -11.673 -3.431 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.141 -10.449 -4.192 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.015 -9.559 -2.922 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.162 -9.056 -4.623 1.00 74.04 H new ATOM 1626 N ALA A 109 8.210 -12.725 -5.647 1.00 63.14 N ATOM 1627 CA ALA A 109 8.232 -13.389 -6.944 1.00 74.21 C ATOM 1628 C ALA A 109 6.983 -14.239 -7.147 1.00 35.54 C ATOM 1629 O ALA A 109 6.483 -14.859 -6.209 1.00 62.10 O ATOM 1630 CB ALA A 109 9.482 -14.246 -7.077 1.00 25.13 C ATOM 0 H ALA A 109 8.133 -13.358 -4.851 1.00 63.14 H new ATOM 0 HA ALA A 109 8.247 -12.621 -7.717 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.485 -14.736 -8.051 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.367 -13.616 -6.985 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.491 -15.001 -6.291 1.00 25.13 H new ATOM 1636 N MET A 110 6.481 -14.262 -8.377 1.00 70.32 N ATOM 1637 CA MET A 110 5.290 -15.037 -8.702 1.00 45.12 C ATOM 1638 C MET A 110 5.621 -16.160 -9.681 1.00 15.33 C ATOM 1639 O MET A 110 6.453 -15.994 -10.573 1.00 41.41 O ATOM 1640 CB MET A 110 4.211 -14.128 -9.298 1.00 74.03 C ATOM 1641 CG MET A 110 3.411 -13.369 -8.251 1.00 13.10 C ATOM 1642 SD MET A 110 1.685 -13.149 -8.722 1.00 31.04 S ATOM 1643 CE MET A 110 0.857 -13.968 -7.361 1.00 0.14 C ATOM 0 H MET A 110 6.881 -13.753 -9.165 1.00 70.32 H new ATOM 0 HA MET A 110 4.914 -15.481 -7.780 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.682 -13.413 -9.973 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.529 -14.731 -9.898 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.460 -13.905 -7.303 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.867 -12.392 -8.089 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.157 -14.233 -7.659 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.405 -14.872 -7.093 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.819 -13.298 -6.502 1.00 0.14 H new ATOM 1653 N LEU A 111 4.965 -17.302 -9.506 1.00 31.10 N ATOM 1654 CA LEU A 111 5.191 -18.454 -10.374 1.00 3.04 C ATOM 1655 C LEU A 111 4.067 -18.593 -11.396 1.00 63.32 C ATOM 1656 O LEU A 111 2.906 -18.784 -11.035 1.00 10.01 O ATOM 1657 CB LEU A 111 5.299 -19.731 -9.540 1.00 34.42 C ATOM 1658 CG LEU A 111 6.717 -20.195 -9.203 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.568 -19.020 -8.748 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.684 -21.278 -8.134 1.00 11.55 C ATOM 0 H LEU A 111 4.273 -17.456 -8.772 1.00 31.10 H new ATOM 0 HA LEU A 111 6.127 -18.298 -10.910 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.757 -19.579 -8.607 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.793 -20.534 -10.075 1.00 34.42 H new ATOM 0 HG LEU A 111 7.165 -20.615 -10.103 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.574 -19.369 -8.512 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.619 -18.277 -9.544 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.123 -18.570 -7.861 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.701 -21.596 -7.907 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.217 -20.884 -7.231 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.110 -22.130 -8.497 1.00 11.55 H new ATOM 1672 N SER A 112 4.421 -18.499 -12.674 1.00 73.51 N ATOM 1673 CA SER A 112 3.443 -18.614 -13.749 1.00 51.32 C ATOM 1674 C SER A 112 4.057 -19.286 -14.972 1.00 24.21 C ATOM 1675 O SER A 112 4.684 -18.645 -15.816 1.00 14.52 O ATOM 1676 CB SER A 112 2.907 -17.232 -14.128 1.00 2.41 C ATOM 1677 OG SER A 112 3.849 -16.218 -13.826 1.00 5.42 O ATOM 0 H SER A 112 5.378 -18.343 -12.990 1.00 73.51 H new ATOM 0 HA SER A 112 2.618 -19.231 -13.393 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.672 -17.209 -15.192 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.977 -17.040 -13.592 1.00 2.41 H new ATOM 0 HG SER A 112 3.994 -15.660 -14.618 1.00 5.42 H new ATOM 1683 N PRO A 113 3.872 -20.610 -15.074 1.00 54.43 N ATOM 1684 CA PRO A 113 4.398 -21.401 -16.191 1.00 23.13 C ATOM 1685 C PRO A 113 3.680 -21.102 -17.502 1.00 42.52 C ATOM 1686 O PRO A 113 4.304 -21.031 -18.561 1.00 32.13 O ATOM 1687 CB PRO A 113 4.139 -22.846 -15.756 1.00 11.42 C ATOM 1688 CG PRO A 113 2.989 -22.758 -14.815 1.00 14.31 C ATOM 1689 CD PRO A 113 3.134 -21.440 -14.105 1.00 11.21 C ATOM 0 HA PRO A 113 5.448 -21.182 -16.386 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.904 -23.480 -16.610 1.00 11.42 H new ATOM 0 HB3 PRO A 113 5.015 -23.277 -15.271 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.041 -22.810 -15.351 1.00 14.31 H new ATOM 0 HG3 PRO A 113 3.000 -23.586 -14.106 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.164 -21.006 -13.861 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.681 -21.546 -13.168 1.00 11.21 H new ATOM 1697 N TYR A 114 2.365 -20.926 -17.424 1.00 23.21 N ATOM 1698 CA TYR A 114 1.562 -20.636 -18.605 1.00 4.41 C ATOM 1699 C TYR A 114 1.745 -19.188 -19.048 1.00 5.12 C ATOM 1700 O TYR A 114 2.254 -18.919 -20.136 1.00 62.34 O ATOM 1701 CB TYR A 114 0.084 -20.912 -18.323 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.174 -22.275 -17.722 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.168 -23.418 -18.513 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.421 -22.421 -16.363 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.405 -24.665 -17.969 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.656 -23.665 -15.809 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.648 -24.784 -16.616 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.882 -26.024 -16.069 1.00 44.10 O ATOM 0 H TYR A 114 1.833 -20.979 -16.555 1.00 23.21 H new ATOM 0 HA TYR A 114 1.900 -21.288 -19.411 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.297 -20.148 -17.646 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.478 -20.822 -19.253 1.00 10.22 H new ATOM 0 HD1 TYR A 114 0.025 -23.329 -19.572 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.430 -21.547 -15.728 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.400 -25.542 -18.599 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.845 -23.761 -14.750 1.00 70.43 H new ATOM 0 HH TYR A 114 -1.034 -25.933 -15.105 1.00 44.10 H new ATOM 1718 N SER A 115 1.327 -18.258 -18.195 1.00 54.30 N ATOM 1719 CA SER A 115 1.442 -16.837 -18.497 1.00 50.32 C ATOM 1720 C SER A 115 2.876 -16.353 -18.300 1.00 24.11 C ATOM 1721 O SER A 115 3.719 -17.075 -17.766 1.00 43.12 O ATOM 1722 CB SER A 115 0.493 -16.027 -17.610 1.00 73.32 C ATOM 1723 OG SER A 115 0.260 -14.739 -18.155 1.00 23.24 O ATOM 0 H SER A 115 0.906 -18.464 -17.289 1.00 54.30 H new ATOM 0 HA SER A 115 1.167 -16.690 -19.542 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.453 -16.558 -17.505 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.917 -15.931 -16.611 1.00 73.32 H new ATOM 0 HG SER A 115 -0.350 -14.242 -17.571 1.00 23.24 H new ATOM 1729 N TYR A 116 3.145 -15.127 -18.736 1.00 51.11 N ATOM 1730 CA TYR A 116 4.476 -14.547 -18.610 1.00 44.22 C ATOM 1731 C TYR A 116 4.964 -14.610 -17.167 1.00 31.31 C ATOM 1732 O TYR A 116 4.169 -14.740 -16.236 1.00 23.43 O ATOM 1733 CB TYR A 116 4.472 -13.097 -19.097 1.00 65.40 C ATOM 1734 CG TYR A 116 3.786 -12.142 -18.146 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.401 -12.115 -18.035 1.00 11.14 C ATOM 1736 CD2 TYR A 116 4.523 -11.265 -17.359 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.770 -11.243 -17.169 1.00 2.33 C ATOM 1738 CE2 TYR A 116 3.901 -10.392 -16.489 1.00 43.15 C ATOM 1739 CZ TYR A 116 2.524 -10.385 -16.397 1.00 73.22 C ATOM 1740 OH TYR A 116 1.901 -9.515 -15.532 1.00 0.32 O ATOM 0 H TYR A 116 2.459 -14.516 -19.180 1.00 51.11 H new ATOM 0 HA TYR A 116 5.158 -15.129 -19.230 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.501 -12.770 -19.248 1.00 65.40 H new ATOM 0 HB3 TYR A 116 3.977 -13.049 -20.067 1.00 65.40 H new ATOM 0 HD1 TYR A 116 1.807 -12.788 -18.636 1.00 11.14 H new ATOM 0 HD2 TYR A 116 5.601 -11.266 -17.429 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.692 -11.233 -17.097 1.00 2.33 H new ATOM 0 HE2 TYR A 116 4.489 -9.718 -15.884 1.00 43.15 H new ATOM 0 HH TYR A 116 2.576 -8.981 -15.062 1.00 0.32 H new ATOM 1750 N SER A 117 6.278 -14.514 -16.988 1.00 62.40 N ATOM 1751 CA SER A 117 6.874 -14.563 -15.658 1.00 41.11 C ATOM 1752 C SER A 117 6.638 -13.255 -14.909 1.00 1.43 C ATOM 1753 O SER A 117 6.579 -12.182 -15.510 1.00 74.14 O ATOM 1754 CB SER A 117 8.376 -14.842 -15.759 1.00 43.31 C ATOM 1755 OG SER A 117 9.093 -13.661 -16.069 1.00 60.44 O ATOM 0 H SER A 117 6.950 -14.402 -17.747 1.00 62.40 H new ATOM 0 HA SER A 117 6.398 -15.371 -15.103 1.00 41.11 H new ATOM 0 HB2 SER A 117 8.737 -15.254 -14.816 1.00 43.31 H new ATOM 0 HB3 SER A 117 8.559 -15.594 -16.526 1.00 43.31 H new ATOM 0 HG SER A 117 10.050 -13.865 -16.126 1.00 60.44 H new ATOM 1761 N THR A 118 6.501 -13.353 -13.590 1.00 44.23 N ATOM 1762 CA THR A 118 6.269 -12.180 -12.757 1.00 62.12 C ATOM 1763 C THR A 118 7.229 -12.147 -11.574 1.00 51.22 C ATOM 1764 O THR A 118 7.238 -13.056 -10.744 1.00 52.03 O ATOM 1765 CB THR A 118 4.822 -12.142 -12.230 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.245 -13.450 -12.291 1.00 53.34 O ATOM 1767 CG2 THR A 118 3.977 -11.170 -13.041 1.00 30.23 C ATOM 0 H THR A 118 6.547 -14.233 -13.076 1.00 44.23 H new ATOM 0 HA THR A 118 6.442 -11.307 -13.386 1.00 62.12 H new ATOM 0 HB THR A 118 4.844 -11.803 -11.194 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.326 -13.418 -11.953 1.00 53.34 H new ATOM 0 HG21 THR A 118 2.959 -11.160 -12.651 1.00 30.23 H new ATOM 0 HG22 THR A 118 4.403 -10.169 -12.969 1.00 30.23 H new ATOM 0 HG23 THR A 118 3.962 -11.484 -14.085 1.00 30.23 H new ATOM 1775 N MET A 119 8.038 -11.095 -11.501 1.00 51.10 N ATOM 1776 CA MET A 119 9.001 -10.944 -10.417 1.00 43.42 C ATOM 1777 C MET A 119 9.099 -9.487 -9.976 1.00 2.14 C ATOM 1778 O MET A 119 8.949 -8.573 -10.785 1.00 61.44 O ATOM 1779 CB MET A 119 10.377 -11.450 -10.855 1.00 20.41 C ATOM 1780 CG MET A 119 11.269 -11.866 -9.696 1.00 61.24 C ATOM 1781 SD MET A 119 12.015 -13.489 -9.940 1.00 43.35 S ATOM 1782 CE MET A 119 13.068 -13.598 -8.495 1.00 1.53 C ATOM 0 H MET A 119 8.046 -10.334 -12.180 1.00 51.10 H new ATOM 0 HA MET A 119 8.655 -11.539 -9.571 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.246 -12.300 -11.525 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.878 -10.668 -11.426 1.00 20.41 H new ATOM 0 HG2 MET A 119 12.057 -11.124 -9.565 1.00 61.24 H new ATOM 0 HG3 MET A 119 10.683 -11.874 -8.777 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.787 -14.406 -8.629 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.601 -12.657 -8.361 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.458 -13.797 -7.614 1.00 1.53 H new ATOM 1792 N ALA A 120 9.351 -9.279 -8.687 1.00 51.45 N ATOM 1793 CA ALA A 120 9.471 -7.934 -8.140 1.00 71.34 C ATOM 1794 C ALA A 120 10.757 -7.782 -7.335 1.00 72.32 C ATOM 1795 O ALA A 120 10.938 -8.434 -6.306 1.00 32.22 O ATOM 1796 CB ALA A 120 8.263 -7.607 -7.276 1.00 12.35 C ATOM 0 H ALA A 120 9.476 -10.025 -8.003 1.00 51.45 H new ATOM 0 HA ALA A 120 9.509 -7.231 -8.972 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.366 -6.599 -6.874 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.357 -7.666 -7.880 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.199 -8.321 -6.455 1.00 12.35 H new ATOM 1802 N VAL A 121 11.647 -6.916 -7.808 1.00 53.02 N ATOM 1803 CA VAL A 121 12.917 -6.678 -7.131 1.00 21.22 C ATOM 1804 C VAL A 121 12.992 -5.255 -6.590 1.00 45.24 C ATOM 1805 O VAL A 121 12.448 -4.323 -7.184 1.00 55.42 O ATOM 1806 CB VAL A 121 14.110 -6.921 -8.075 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.423 -6.783 -7.320 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.001 -8.290 -8.728 1.00 33.42 C ATOM 0 H VAL A 121 11.513 -6.367 -8.657 1.00 53.02 H new ATOM 0 HA VAL A 121 12.971 -7.382 -6.301 1.00 21.22 H new ATOM 0 HB VAL A 121 14.090 -6.167 -8.862 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.255 -6.958 -8.002 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.500 -5.778 -6.904 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.457 -7.514 -6.512 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.852 -8.445 -9.392 1.00 33.42 H new ATOM 0 HG22 VAL A 121 13.996 -9.061 -7.958 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.077 -8.346 -9.303 1.00 33.42 H new ATOM 1818 N VAL A 122 13.671 -5.093 -5.459 1.00 24.04 N ATOM 1819 CA VAL A 122 13.820 -3.783 -4.837 1.00 52.24 C ATOM 1820 C VAL A 122 15.290 -3.402 -4.701 1.00 2.02 C ATOM 1821 O VAL A 122 16.020 -3.976 -3.893 1.00 64.54 O ATOM 1822 CB VAL A 122 13.160 -3.743 -3.445 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.170 -2.327 -2.889 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.742 -4.288 -3.512 1.00 53.13 C ATOM 0 H VAL A 122 14.127 -5.853 -4.955 1.00 24.04 H new ATOM 0 HA VAL A 122 13.321 -3.066 -5.489 1.00 52.24 H new ATOM 0 HB VAL A 122 13.737 -4.376 -2.771 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.700 -2.319 -1.906 1.00 71.54 H new ATOM 0 HG12 VAL A 122 14.199 -1.977 -2.802 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.619 -1.669 -3.560 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.291 -4.252 -2.520 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.152 -3.683 -4.201 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.765 -5.320 -3.863 1.00 53.13 H new ATOM 1834 N THR A 123 15.719 -2.429 -5.499 1.00 65.41 N ATOM 1835 CA THR A 123 17.103 -1.972 -5.469 1.00 45.23 C ATOM 1836 C THR A 123 17.180 -0.471 -5.212 1.00 73.22 C ATOM 1837 O THR A 123 16.610 0.326 -5.954 1.00 50.41 O ATOM 1838 CB THR A 123 17.829 -2.292 -6.790 1.00 11.34 C ATOM 1839 OG1 THR A 123 19.094 -1.622 -6.828 1.00 23.43 O ATOM 1840 CG2 THR A 123 16.989 -1.870 -7.986 1.00 1.51 C ATOM 0 H THR A 123 15.128 -1.943 -6.174 1.00 65.41 H new ATOM 0 HA THR A 123 17.594 -2.504 -4.654 1.00 45.23 H new ATOM 0 HB THR A 123 17.987 -3.369 -6.840 1.00 11.34 H new ATOM 0 HG1 THR A 123 19.550 -1.832 -7.670 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.522 -2.106 -8.907 1.00 1.51 H new ATOM 0 HG22 THR A 123 16.039 -2.404 -7.970 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.803 -0.797 -7.939 1.00 1.51 H new ATOM 1848 N ASN A 124 17.891 -0.093 -4.154 1.00 2.14 N ATOM 1849 CA ASN A 124 18.043 1.314 -3.798 1.00 14.35 C ATOM 1850 C ASN A 124 18.515 2.130 -4.998 1.00 21.24 C ATOM 1851 O ASN A 124 19.086 1.603 -5.953 1.00 34.35 O ATOM 1852 CB ASN A 124 19.034 1.465 -2.643 1.00 43.11 C ATOM 1853 CG ASN A 124 20.213 0.517 -2.764 1.00 33.41 C ATOM 1854 OD1 ASN A 124 21.271 0.887 -3.273 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.034 -0.712 -2.296 1.00 53.22 N ATOM 0 H ASN A 124 18.371 -0.741 -3.529 1.00 2.14 H new ATOM 0 HA ASN A 124 17.070 1.691 -3.484 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.399 2.492 -2.613 1.00 43.11 H new ATOM 0 HB3 ASN A 124 18.519 1.282 -1.700 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.791 -1.394 -2.350 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.140 -0.975 -1.882 1.00 53.22 H new ATOM 1862 N PRO A 125 18.272 3.448 -4.949 1.00 1.24 N ATOM 1863 CA PRO A 125 18.665 4.366 -6.022 1.00 4.12 C ATOM 1864 C PRO A 125 20.177 4.548 -6.106 1.00 22.32 C ATOM 1865 O PRO A 125 20.739 5.451 -5.485 1.00 40.34 O ATOM 1866 CB PRO A 125 17.989 5.682 -5.629 1.00 23.43 C ATOM 1867 CG PRO A 125 17.827 5.598 -4.150 1.00 21.31 C ATOM 1868 CD PRO A 125 17.596 4.144 -3.841 1.00 10.43 C ATOM 0 HA PRO A 125 18.369 3.995 -7.003 1.00 4.12 H new ATOM 0 HB2 PRO A 125 18.598 6.540 -5.912 1.00 23.43 H new ATOM 0 HB3 PRO A 125 17.026 5.797 -6.127 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.715 5.969 -3.638 1.00 21.31 H new ATOM 0 HG3 PRO A 125 16.987 6.207 -3.814 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.018 3.867 -2.875 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.533 3.905 -3.805 1.00 10.43 H new ATOM 1876 N LYS A 126 20.831 3.684 -6.875 1.00 1.50 N ATOM 1877 CA LYS A 126 22.278 3.750 -7.042 1.00 65.42 C ATOM 1878 C LYS A 126 22.664 4.860 -8.015 1.00 33.33 C ATOM 1879 O LYS A 126 23.800 5.332 -8.012 1.00 12.21 O ATOM 1880 CB LYS A 126 22.816 2.408 -7.542 1.00 4.33 C ATOM 1881 CG LYS A 126 22.224 1.973 -8.872 1.00 21.32 C ATOM 1882 CD LYS A 126 23.039 2.495 -10.043 1.00 73.25 C ATOM 1883 CE LYS A 126 22.641 1.817 -11.345 1.00 21.43 C ATOM 1884 NZ LYS A 126 21.170 1.865 -11.568 1.00 72.12 N1+ ATOM 0 H LYS A 126 20.381 2.929 -7.393 1.00 1.50 H new ATOM 0 HA LYS A 126 22.721 3.973 -6.071 1.00 65.42 H new ATOM 0 HB2 LYS A 126 23.900 2.474 -7.640 1.00 4.33 H new ATOM 0 HB3 LYS A 126 22.610 1.642 -6.794 1.00 4.33 H new ATOM 0 HG2 LYS A 126 22.182 0.885 -8.914 1.00 21.32 H new ATOM 0 HG3 LYS A 126 21.199 2.335 -8.951 1.00 21.32 H new ATOM 0 HD2 LYS A 126 22.898 3.572 -10.134 1.00 73.25 H new ATOM 0 HD3 LYS A 126 24.099 2.327 -9.853 1.00 73.25 H new ATOM 0 HE2 LYS A 126 23.151 2.302 -12.178 1.00 21.43 H new ATOM 0 HE3 LYS A 126 22.972 0.779 -11.330 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 20.977 2.054 -12.572 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 20.748 0.953 -11.300 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 20.755 2.622 -10.988 1.00 72.12 H new ATOM 1898 N GLU A 127 21.710 5.271 -8.845 1.00 63.52 N ATOM 1899 CA GLU A 127 21.952 6.325 -9.823 1.00 4.22 C ATOM 1900 C GLU A 127 22.371 7.621 -9.133 1.00 54.22 C ATOM 1901 O GLU A 127 23.539 8.007 -9.174 1.00 33.32 O ATOM 1902 CB GLU A 127 20.698 6.566 -10.666 1.00 12.12 C ATOM 1903 CG GLU A 127 20.292 5.369 -11.509 1.00 23.42 C ATOM 1904 CD GLU A 127 19.155 5.684 -12.461 1.00 72.31 C ATOM 1905 OE1 GLU A 127 19.371 6.479 -13.400 1.00 54.12 O ATOM 1906 OE2 GLU A 127 18.050 5.138 -12.267 1.00 44.44 O1- ATOM 0 H GLU A 127 20.764 4.891 -8.860 1.00 63.52 H new ATOM 0 HA GLU A 127 22.763 6.002 -10.475 1.00 4.22 H new ATOM 0 HB2 GLU A 127 19.872 6.832 -10.006 1.00 12.12 H new ATOM 0 HB3 GLU A 127 20.870 7.420 -11.321 1.00 12.12 H new ATOM 0 HG2 GLU A 127 21.153 5.023 -12.080 1.00 23.42 H new ATOM 0 HG3 GLU A 127 19.995 4.551 -10.853 1.00 23.42 H new TER 1913 GLU A 127