USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 928 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 93 LYS NZ :NH3+ -173:sc= 0.708 (180deg=0.671) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.461 K(o=0.25,f=-3.4!) USER MOD Set 2.1: A 77 THR OG1 : rot 143:sc= 0.137 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.326 X(o=0.46,f=0.47) USER MOD Set 3.1: A 30 SER OG : rot 69:sc= 2.04 USER MOD Set 3.2: A 61 TYR OH : rot -143:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0357 (180deg=-0.31) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0712 (180deg=-0.0179) USER MOD Single : A 3 HIS : no HE2:sc= -0.0437 K(o=-0.044,f=-1.1) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.182 K(o=-0.18,f=-0.78) USER MOD Single : A 6 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=-0.026) USER MOD Single : A 7 HIS : no HE2:sc= 0.624 K(o=0.62,f=-2!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 41:sc= 0.337 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0618 (180deg=-0.412) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= 0.181 (180deg=-0.122) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0987 X(o=-0.099,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -0.0755 (180deg=-0.312) USER MOD Single : A 38 THR OG1 : rot -149:sc= 0.0672 USER MOD Single : A 43 SER OG : rot 85:sc= 0.397 USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.502 (180deg=0.491) USER MOD Single : A 49 TYR OH : rot 114:sc= 0.0536 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -147:sc= 0 (180deg=-1.01) USER MOD Single : A 54 ASN : amide:sc= 0.0729 X(o=0.073,f=0) USER MOD Single : A 63 SER OG : rot 73:sc= 0.0279 USER MOD Single : A 66 ASN : amide:sc= 0.0399 X(o=0.04,f=-0.07) USER MOD Single : A 73 TYR OH : rot 74:sc= 0.345 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 119:sc= 0.29 USER MOD Single : A 88 LYS NZ :NH3+ 133:sc= 0.605 (180deg=-0.072) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 92 SER OG : rot 62:sc= 0.211 USER MOD Single : A 96 LYS NZ :NH3+ -144:sc= -1.12 (180deg=-2.65!) USER MOD Single : A 99 GLN : amide:sc= 0.327 K(o=0.33,f=-0.59) USER MOD Single : A 102 SER OG : rot 65:sc= -0.201 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 105 LYS NZ :NH3+ 151:sc= -0.0759 (180deg=-0.891) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.572 -59.906 9.194 1.00 21.13 N ATOM 2 CA MET A 1 -3.888 -59.004 10.168 1.00 74.51 C ATOM 3 C MET A 1 -2.967 -57.992 9.438 1.00 31.32 C ATOM 4 O MET A 1 -2.875 -58.009 8.205 1.00 10.40 O ATOM 5 CB MET A 1 -3.083 -59.846 11.198 1.00 3.42 C ATOM 6 CG MET A 1 -1.928 -60.666 10.594 1.00 61.02 C ATOM 7 SD MET A 1 -1.042 -61.664 11.816 1.00 32.15 S ATOM 8 CE MET A 1 -2.303 -62.834 12.333 1.00 73.52 C ATOM 0 H1 MET A 1 -5.594 -59.711 9.199 1.00 21.13 H new ATOM 0 H2 MET A 1 -4.192 -59.739 8.240 1.00 21.13 H new ATOM 0 H3 MET A 1 -4.407 -60.897 9.463 1.00 21.13 H new ATOM 0 HA MET A 1 -4.646 -58.432 10.702 1.00 74.51 H new ATOM 0 HB2 MET A 1 -2.678 -59.177 11.957 1.00 3.42 H new ATOM 0 HB3 MET A 1 -3.767 -60.526 11.705 1.00 3.42 H new ATOM 0 HG2 MET A 1 -2.324 -61.321 9.818 1.00 61.02 H new ATOM 0 HG3 MET A 1 -1.225 -59.988 10.110 1.00 61.02 H new ATOM 0 HE1 MET A 1 -1.835 -63.659 12.870 1.00 73.52 H new ATOM 0 HE2 MET A 1 -3.017 -62.334 12.987 1.00 73.52 H new ATOM 0 HE3 MET A 1 -2.823 -63.220 11.456 1.00 73.52 H new ATOM 20 N GLY A 2 -2.303 -57.098 10.203 1.00 25.54 N ATOM 21 CA GLY A 2 -1.288 -56.190 9.638 1.00 73.40 C ATOM 22 C GLY A 2 -1.327 -54.773 10.203 1.00 54.03 C ATOM 23 O GLY A 2 -2.098 -54.470 11.117 1.00 21.51 O ATOM 0 H GLY A 2 -2.452 -56.988 11.206 1.00 25.54 H new ATOM 0 HA2 GLY A 2 -0.299 -56.613 9.817 1.00 73.40 H new ATOM 0 HA3 GLY A 2 -1.423 -56.141 8.557 1.00 73.40 H new ATOM 27 N HIS A 3 -0.468 -53.907 9.643 1.00 43.14 N ATOM 28 CA HIS A 3 -0.384 -52.479 10.022 1.00 34.45 C ATOM 29 C HIS A 3 -1.456 -51.639 9.269 1.00 63.44 C ATOM 30 O HIS A 3 -1.245 -51.186 8.135 1.00 71.34 O ATOM 31 CB HIS A 3 1.064 -51.926 9.800 1.00 63.51 C ATOM 32 CG HIS A 3 1.756 -52.404 8.543 1.00 53.35 C ATOM 33 ND1 HIS A 3 1.377 -52.017 7.279 1.00 13.25 N ATOM 34 CD2 HIS A 3 2.796 -53.262 8.363 1.00 42.11 C ATOM 35 CE1 HIS A 3 2.140 -52.607 6.384 1.00 35.22 C ATOM 36 NE2 HIS A 3 3.006 -53.367 7.009 1.00 45.21 N ATOM 0 H HIS A 3 0.192 -54.174 8.912 1.00 43.14 H new ATOM 0 HA HIS A 3 -0.600 -52.392 11.087 1.00 34.45 H new ATOM 0 HB2 HIS A 3 1.019 -50.837 9.778 1.00 63.51 H new ATOM 0 HB3 HIS A 3 1.676 -52.203 10.659 1.00 63.51 H new ATOM 0 HD1 HIS A 3 0.618 -51.369 7.067 1.00 13.25 H new ATOM 0 HD2 HIS A 3 3.353 -53.766 9.139 1.00 42.11 H new ATOM 0 HE1 HIS A 3 2.065 -52.485 5.313 1.00 35.22 H new ATOM 45 N HIS A 4 -2.624 -51.469 9.915 1.00 73.41 N ATOM 46 CA HIS A 4 -3.761 -50.697 9.365 1.00 51.54 C ATOM 47 C HIS A 4 -3.640 -49.206 9.787 1.00 22.42 C ATOM 48 O HIS A 4 -3.849 -48.868 10.958 1.00 65.53 O ATOM 49 CB HIS A 4 -5.104 -51.300 9.868 1.00 71.10 C ATOM 50 CG HIS A 4 -5.234 -52.789 9.661 1.00 64.43 C ATOM 51 ND1 HIS A 4 -5.518 -53.358 8.442 1.00 13.40 N ATOM 52 CD2 HIS A 4 -5.106 -53.825 10.529 1.00 41.32 C ATOM 53 CE1 HIS A 4 -5.561 -54.671 8.564 1.00 12.15 C ATOM 54 NE2 HIS A 4 -5.315 -54.981 9.818 1.00 31.34 N ATOM 0 H HIS A 4 -2.810 -51.864 10.837 1.00 73.41 H new ATOM 0 HA HIS A 4 -3.741 -50.753 8.277 1.00 51.54 H new ATOM 0 HB2 HIS A 4 -5.211 -51.082 10.931 1.00 71.10 H new ATOM 0 HB3 HIS A 4 -5.927 -50.801 9.356 1.00 71.10 H new ATOM 0 HD2 HIS A 4 -4.881 -53.753 11.583 1.00 41.32 H new ATOM 0 HE1 HIS A 4 -5.764 -55.373 7.768 1.00 12.15 H new ATOM 0 HE2 HIS A 4 -5.284 -55.926 10.200 1.00 31.34 H new ATOM 63 N HIS A 5 -3.272 -48.330 8.831 1.00 3.40 N ATOM 64 CA HIS A 5 -3.064 -46.879 9.084 1.00 4.43 C ATOM 65 C HIS A 5 -4.298 -46.032 8.697 1.00 65.51 C ATOM 66 O HIS A 5 -5.143 -46.466 7.906 1.00 75.12 O ATOM 67 CB HIS A 5 -1.821 -46.378 8.305 1.00 44.42 C ATOM 68 CG HIS A 5 -0.559 -47.114 8.652 1.00 14.23 C ATOM 69 ND1 HIS A 5 0.200 -46.822 9.764 1.00 24.44 N ATOM 70 CD2 HIS A 5 0.063 -48.153 8.040 1.00 72.03 C ATOM 71 CE1 HIS A 5 1.231 -47.637 9.818 1.00 2.11 C ATOM 72 NE2 HIS A 5 1.172 -48.455 8.787 1.00 12.25 N ATOM 0 H HIS A 5 -3.109 -48.602 7.861 1.00 3.40 H new ATOM 0 HA HIS A 5 -2.906 -46.758 10.156 1.00 4.43 H new ATOM 0 HB2 HIS A 5 -2.008 -46.478 7.236 1.00 44.42 H new ATOM 0 HB3 HIS A 5 -1.680 -45.316 8.506 1.00 44.42 H new ATOM 0 HD2 HIS A 5 -0.256 -48.649 7.135 1.00 72.03 H new ATOM 0 HE1 HIS A 5 1.997 -47.636 10.579 1.00 2.11 H new ATOM 0 HE2 HIS A 5 1.843 -49.194 8.578 1.00 12.25 H new ATOM 81 N HIS A 6 -4.370 -44.811 9.259 1.00 20.32 N ATOM 82 CA HIS A 6 -5.450 -43.834 8.974 1.00 2.11 C ATOM 83 C HIS A 6 -5.075 -42.906 7.780 1.00 1.13 C ATOM 84 O HIS A 6 -3.896 -42.635 7.529 1.00 75.20 O ATOM 85 CB HIS A 6 -5.747 -43.002 10.258 1.00 70.22 C ATOM 86 CG HIS A 6 -6.874 -42.004 10.116 1.00 72.31 C ATOM 87 ND1 HIS A 6 -8.205 -42.368 10.080 1.00 51.41 N ATOM 88 CD2 HIS A 6 -6.861 -40.654 9.975 1.00 5.43 C ATOM 89 CE1 HIS A 6 -8.952 -41.298 9.920 1.00 30.44 C ATOM 90 NE2 HIS A 6 -8.166 -40.248 9.854 1.00 21.43 N ATOM 0 H HIS A 6 -3.680 -44.468 9.927 1.00 20.32 H new ATOM 0 HA HIS A 6 -6.349 -44.378 8.686 1.00 2.11 H new ATOM 0 HB2 HIS A 6 -5.986 -43.687 11.071 1.00 70.22 H new ATOM 0 HB3 HIS A 6 -4.841 -42.469 10.547 1.00 70.22 H new ATOM 0 HD2 HIS A 6 -5.988 -40.019 9.961 1.00 5.43 H new ATOM 0 HE1 HIS A 6 -10.030 -41.285 9.854 1.00 30.44 H new ATOM 0 HE2 HIS A 6 -8.476 -39.284 9.732 1.00 21.43 H new ATOM 99 N HIS A 7 -6.108 -42.420 7.062 1.00 51.35 N ATOM 100 CA HIS A 7 -5.956 -41.467 5.933 1.00 1.24 C ATOM 101 C HIS A 7 -7.091 -40.404 5.954 1.00 21.11 C ATOM 102 O HIS A 7 -8.107 -40.581 6.639 1.00 4.40 O ATOM 103 CB HIS A 7 -5.933 -42.228 4.571 1.00 23.04 C ATOM 104 CG HIS A 7 -7.211 -42.955 4.222 1.00 61.22 C ATOM 105 ND1 HIS A 7 -8.187 -42.408 3.419 1.00 51.52 N ATOM 106 CD2 HIS A 7 -7.672 -44.184 4.563 1.00 50.13 C ATOM 107 CE1 HIS A 7 -9.181 -43.255 3.282 1.00 33.31 C ATOM 108 NE2 HIS A 7 -8.897 -44.339 3.965 1.00 43.22 N ATOM 0 H HIS A 7 -7.078 -42.676 7.247 1.00 51.35 H new ATOM 0 HA HIS A 7 -5.004 -40.948 6.049 1.00 1.24 H new ATOM 0 HB2 HIS A 7 -5.711 -41.515 3.777 1.00 23.04 H new ATOM 0 HB3 HIS A 7 -5.116 -42.949 4.589 1.00 23.04 H new ATOM 0 HD1 HIS A 7 -8.144 -41.482 2.994 1.00 51.52 H new ATOM 0 HD2 HIS A 7 -7.169 -44.906 5.189 1.00 50.13 H new ATOM 0 HE1 HIS A 7 -10.079 -43.088 2.706 1.00 33.31 H new ATOM 117 N HIS A 8 -6.897 -39.300 5.204 1.00 53.31 N ATOM 118 CA HIS A 8 -7.931 -38.247 5.013 1.00 42.54 C ATOM 119 C HIS A 8 -9.006 -38.697 3.999 1.00 3.23 C ATOM 120 O HIS A 8 -8.795 -39.639 3.229 1.00 1.33 O ATOM 121 CB HIS A 8 -7.276 -36.915 4.550 1.00 70.21 C ATOM 122 CG HIS A 8 -6.516 -36.192 5.630 1.00 41.24 C ATOM 123 ND1 HIS A 8 -7.016 -35.086 6.283 1.00 4.11 N ATOM 124 CD2 HIS A 8 -5.298 -36.421 6.176 1.00 53.13 C ATOM 125 CE1 HIS A 8 -6.146 -34.673 7.180 1.00 51.03 C ATOM 126 NE2 HIS A 8 -5.096 -35.465 7.137 1.00 21.34 N ATOM 0 H HIS A 8 -6.024 -39.108 4.713 1.00 53.31 H new ATOM 0 HA HIS A 8 -8.420 -38.082 5.973 1.00 42.54 H new ATOM 0 HB2 HIS A 8 -6.598 -37.125 3.723 1.00 70.21 H new ATOM 0 HB3 HIS A 8 -8.054 -36.255 4.165 1.00 70.21 H new ATOM 0 HD2 HIS A 8 -4.613 -37.211 5.904 1.00 53.13 H new ATOM 0 HE1 HIS A 8 -6.272 -33.827 7.840 1.00 51.03 H new ATOM 0 HE2 HIS A 8 -4.266 -35.381 7.724 1.00 21.34 H new ATOM 135 N SER A 9 -10.158 -37.999 4.012 1.00 1.15 N ATOM 136 CA SER A 9 -11.296 -38.299 3.121 1.00 25.11 C ATOM 137 C SER A 9 -10.952 -37.964 1.643 1.00 71.23 C ATOM 138 O SER A 9 -10.459 -38.837 0.918 1.00 72.21 O ATOM 139 CB SER A 9 -12.567 -37.548 3.592 1.00 24.21 C ATOM 140 OG SER A 9 -12.874 -37.839 4.945 1.00 3.31 O ATOM 0 H SER A 9 -10.326 -37.212 4.639 1.00 1.15 H new ATOM 0 HA SER A 9 -11.500 -39.369 3.173 1.00 25.11 H new ATOM 0 HB2 SER A 9 -12.420 -36.474 3.474 1.00 24.21 H new ATOM 0 HB3 SER A 9 -13.410 -37.826 2.959 1.00 24.21 H new ATOM 0 HG SER A 9 -13.680 -37.348 5.211 1.00 3.31 H new ATOM 146 N HIS A 10 -11.189 -36.694 1.206 1.00 61.20 N ATOM 147 CA HIS A 10 -10.908 -36.225 -0.188 1.00 43.33 C ATOM 148 C HIS A 10 -10.661 -34.695 -0.215 1.00 22.24 C ATOM 149 O HIS A 10 -11.255 -33.950 0.571 1.00 1.31 O ATOM 150 CB HIS A 10 -12.090 -36.558 -1.156 1.00 72.15 C ATOM 151 CG HIS A 10 -12.356 -38.028 -1.358 1.00 11.32 C ATOM 152 ND1 HIS A 10 -13.375 -38.708 -0.724 1.00 0.42 N ATOM 153 CD2 HIS A 10 -11.709 -38.953 -2.106 1.00 11.41 C ATOM 154 CE1 HIS A 10 -13.346 -39.977 -1.069 1.00 2.21 C ATOM 155 NE2 HIS A 10 -12.348 -40.153 -1.906 1.00 0.24 N ATOM 0 H HIS A 10 -11.579 -35.967 1.806 1.00 61.20 H new ATOM 0 HA HIS A 10 -10.014 -36.750 -0.524 1.00 43.33 H new ATOM 0 HB2 HIS A 10 -12.996 -36.090 -0.772 1.00 72.15 H new ATOM 0 HB3 HIS A 10 -11.884 -36.105 -2.126 1.00 72.15 H new ATOM 0 HD2 HIS A 10 -10.852 -38.780 -2.740 1.00 11.41 H new ATOM 0 HE1 HIS A 10 -14.025 -40.742 -0.724 1.00 2.21 H new ATOM 0 HE2 HIS A 10 -12.089 -41.040 -2.339 1.00 0.24 H new ATOM 164 N MET A 11 -9.781 -34.244 -1.122 1.00 42.14 N ATOM 165 CA MET A 11 -9.613 -32.807 -1.435 1.00 1.52 C ATOM 166 C MET A 11 -10.650 -32.382 -2.505 1.00 32.45 C ATOM 167 O MET A 11 -10.607 -32.868 -3.640 1.00 4.23 O ATOM 168 CB MET A 11 -8.164 -32.511 -1.928 1.00 51.45 C ATOM 169 CG MET A 11 -7.121 -32.394 -0.810 1.00 24.44 C ATOM 170 SD MET A 11 -7.469 -31.004 0.302 1.00 20.33 S ATOM 171 CE MET A 11 -6.042 -31.033 1.391 1.00 24.12 C ATOM 0 H MET A 11 -9.167 -34.857 -1.659 1.00 42.14 H new ATOM 0 HA MET A 11 -9.781 -32.228 -0.527 1.00 1.52 H new ATOM 0 HB2 MET A 11 -7.858 -33.303 -2.611 1.00 51.45 H new ATOM 0 HB3 MET A 11 -8.171 -31.583 -2.499 1.00 51.45 H new ATOM 0 HG2 MET A 11 -7.099 -33.320 -0.236 1.00 24.44 H new ATOM 0 HG3 MET A 11 -6.131 -32.268 -1.249 1.00 24.44 H new ATOM 0 HE1 MET A 11 -6.127 -30.231 2.124 1.00 24.12 H new ATOM 0 HE2 MET A 11 -5.997 -31.992 1.907 1.00 24.12 H new ATOM 0 HE3 MET A 11 -5.134 -30.894 0.804 1.00 24.12 H new ATOM 181 N ILE A 12 -11.579 -31.486 -2.125 1.00 34.24 N ATOM 182 CA ILE A 12 -12.615 -30.953 -3.037 1.00 73.14 C ATOM 183 C ILE A 12 -11.999 -29.848 -3.936 1.00 0.21 C ATOM 184 O ILE A 12 -11.589 -28.791 -3.438 1.00 31.02 O ATOM 185 CB ILE A 12 -13.882 -30.387 -2.254 1.00 5.24 C ATOM 186 CG1 ILE A 12 -14.656 -31.523 -1.478 1.00 65.12 C ATOM 187 CG2 ILE A 12 -14.852 -29.625 -3.209 1.00 12.50 C ATOM 188 CD1 ILE A 12 -13.960 -32.099 -0.251 1.00 43.45 C ATOM 0 H ILE A 12 -11.635 -31.110 -1.179 1.00 34.24 H new ATOM 0 HA ILE A 12 -12.968 -31.779 -3.655 1.00 73.14 H new ATOM 0 HB ILE A 12 -13.500 -29.681 -1.517 1.00 5.24 H new ATOM 0 HG12 ILE A 12 -15.623 -31.127 -1.168 1.00 65.12 H new ATOM 0 HG13 ILE A 12 -14.853 -32.339 -2.174 1.00 65.12 H new ATOM 0 HG21 ILE A 12 -15.704 -29.253 -2.641 1.00 12.50 H new ATOM 0 HG22 ILE A 12 -14.327 -28.786 -3.667 1.00 12.50 H new ATOM 0 HG23 ILE A 12 -15.203 -30.302 -3.988 1.00 12.50 H new ATOM 0 HD11 ILE A 12 -14.589 -32.869 0.196 1.00 43.45 H new ATOM 0 HD12 ILE A 12 -13.005 -32.535 -0.545 1.00 43.45 H new ATOM 0 HD13 ILE A 12 -13.787 -31.305 0.476 1.00 43.45 H new ATOM 200 N LYS A 13 -11.908 -30.121 -5.255 1.00 72.01 N ATOM 201 CA LYS A 13 -11.427 -29.138 -6.244 1.00 14.41 C ATOM 202 C LYS A 13 -12.458 -27.999 -6.417 1.00 44.25 C ATOM 203 O LYS A 13 -13.483 -28.167 -7.087 1.00 54.13 O ATOM 204 CB LYS A 13 -11.160 -29.819 -7.611 1.00 52.42 C ATOM 205 CG LYS A 13 -10.633 -28.857 -8.708 1.00 14.01 C ATOM 206 CD LYS A 13 -10.590 -29.492 -10.112 1.00 73.11 C ATOM 207 CE LYS A 13 -11.990 -29.854 -10.643 1.00 42.44 C ATOM 208 NZ LYS A 13 -11.930 -30.499 -11.972 1.00 51.21 N ATOM 0 H LYS A 13 -12.164 -31.022 -5.660 1.00 72.01 H new ATOM 0 HA LYS A 13 -10.491 -28.717 -5.876 1.00 14.41 H new ATOM 0 HB2 LYS A 13 -10.436 -30.622 -7.469 1.00 52.42 H new ATOM 0 HB3 LYS A 13 -12.083 -30.280 -7.961 1.00 52.42 H new ATOM 0 HG2 LYS A 13 -11.266 -27.970 -8.738 1.00 14.01 H new ATOM 0 HG3 LYS A 13 -9.631 -28.524 -8.437 1.00 14.01 H new ATOM 0 HD2 LYS A 13 -10.111 -28.800 -10.805 1.00 73.11 H new ATOM 0 HD3 LYS A 13 -9.974 -30.391 -10.081 1.00 73.11 H new ATOM 0 HE2 LYS A 13 -12.483 -30.523 -9.938 1.00 42.44 H new ATOM 0 HE3 LYS A 13 -12.598 -28.952 -10.705 1.00 42.44 H new ATOM 0 HZ1 LYS A 13 -12.893 -30.726 -12.292 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -11.483 -29.852 -12.652 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -11.371 -31.374 -11.908 1.00 51.21 H new ATOM 222 N ARG A 14 -12.194 -26.868 -5.758 1.00 44.52 N ATOM 223 CA ARG A 14 -13.001 -25.642 -5.879 1.00 14.32 C ATOM 224 C ARG A 14 -12.156 -24.427 -5.456 1.00 51.04 C ATOM 225 O ARG A 14 -11.509 -24.454 -4.402 1.00 44.01 O ATOM 226 CB ARG A 14 -14.294 -25.743 -5.014 1.00 61.35 C ATOM 227 CG ARG A 14 -15.179 -24.475 -5.034 1.00 44.54 C ATOM 228 CD ARG A 14 -16.497 -24.631 -4.252 1.00 54.21 C ATOM 229 NE ARG A 14 -17.218 -23.341 -4.153 1.00 42.23 N ATOM 230 CZ ARG A 14 -18.275 -22.989 -4.862 1.00 0.34 C ATOM 231 NH1 ARG A 14 -18.794 -23.792 -5.740 1.00 35.43 N ATOM 232 NH2 ARG A 14 -18.808 -21.825 -4.684 1.00 43.13 N ATOM 0 H ARG A 14 -11.406 -26.772 -5.117 1.00 44.52 H new ATOM 0 HA ARG A 14 -13.306 -25.519 -6.918 1.00 14.32 H new ATOM 0 HB2 ARG A 14 -14.885 -26.589 -5.364 1.00 61.35 H new ATOM 0 HB3 ARG A 14 -14.011 -25.957 -3.983 1.00 61.35 H new ATOM 0 HG2 ARG A 14 -14.615 -23.641 -4.616 1.00 44.54 H new ATOM 0 HG3 ARG A 14 -15.408 -24.218 -6.068 1.00 44.54 H new ATOM 0 HD2 ARG A 14 -17.131 -25.368 -4.746 1.00 54.21 H new ATOM 0 HD3 ARG A 14 -16.287 -25.011 -3.252 1.00 54.21 H new ATOM 0 HE ARG A 14 -16.866 -22.664 -3.476 1.00 42.23 H new ATOM 0 HH11 ARG A 14 -18.385 -24.714 -5.892 1.00 35.43 H new ATOM 0 HH12 ARG A 14 -19.611 -23.501 -6.277 1.00 35.43 H new ATOM 0 HH21 ARG A 14 -18.412 -21.182 -3.998 1.00 43.13 H new ATOM 0 HH22 ARG A 14 -19.624 -21.549 -5.230 1.00 43.13 H new ATOM 246 N THR A 15 -12.158 -23.372 -6.289 1.00 32.11 N ATOM 247 CA THR A 15 -11.448 -22.108 -5.990 1.00 24.43 C ATOM 248 C THR A 15 -12.225 -21.276 -4.937 1.00 52.44 C ATOM 249 O THR A 15 -12.978 -20.346 -5.262 1.00 71.34 O ATOM 250 CB THR A 15 -11.180 -21.264 -7.291 1.00 13.15 C ATOM 251 OG1 THR A 15 -12.421 -20.963 -7.960 1.00 64.30 O ATOM 252 CG2 THR A 15 -10.236 -21.998 -8.268 1.00 71.20 C ATOM 0 H THR A 15 -12.647 -23.367 -7.184 1.00 32.11 H new ATOM 0 HA THR A 15 -10.477 -22.370 -5.571 1.00 24.43 H new ATOM 0 HB THR A 15 -10.696 -20.338 -6.980 1.00 13.15 H new ATOM 0 HG1 THR A 15 -13.104 -20.736 -7.295 1.00 64.30 H new ATOM 0 HG21 THR A 15 -10.077 -21.381 -9.153 1.00 71.20 H new ATOM 0 HG22 THR A 15 -9.280 -22.185 -7.779 1.00 71.20 H new ATOM 0 HG23 THR A 15 -10.684 -22.947 -8.563 1.00 71.20 H new ATOM 260 N ASN A 16 -12.081 -21.682 -3.660 1.00 5.04 N ATOM 261 CA ASN A 16 -12.694 -20.995 -2.507 1.00 61.10 C ATOM 262 C ASN A 16 -11.981 -19.655 -2.236 1.00 12.40 C ATOM 263 O ASN A 16 -10.743 -19.613 -2.168 1.00 32.10 O ATOM 264 CB ASN A 16 -12.652 -21.913 -1.257 1.00 22.12 C ATOM 265 CG ASN A 16 -13.583 -23.125 -1.381 1.00 3.10 C ATOM 266 OD1 ASN A 16 -14.650 -23.040 -1.979 1.00 24.44 O ATOM 267 ND2 ASN A 16 -13.198 -24.255 -0.827 1.00 2.01 N ATOM 0 H ASN A 16 -11.532 -22.501 -3.398 1.00 5.04 H new ATOM 0 HA ASN A 16 -13.737 -20.778 -2.738 1.00 61.10 H new ATOM 0 HB2 ASN A 16 -11.631 -22.259 -1.100 1.00 22.12 H new ATOM 0 HB3 ASN A 16 -12.931 -21.334 -0.377 1.00 22.12 H new ATOM 0 HD21 ASN A 16 -13.791 -25.082 -0.890 1.00 2.01 H new ATOM 0 HD22 ASN A 16 -12.306 -24.304 -0.334 1.00 2.01 H new ATOM 274 N GLU A 17 -12.797 -18.587 -2.073 1.00 31.33 N ATOM 275 CA GLU A 17 -12.350 -17.183 -2.008 1.00 1.25 C ATOM 276 C GLU A 17 -11.692 -16.755 -3.350 1.00 72.23 C ATOM 277 O GLU A 17 -10.490 -16.985 -3.550 1.00 60.23 O ATOM 278 CB GLU A 17 -11.400 -16.920 -0.803 1.00 24.02 C ATOM 279 CG GLU A 17 -10.964 -15.449 -0.650 1.00 51.42 C ATOM 280 CD GLU A 17 -9.931 -15.243 0.466 1.00 23.00 C ATOM 281 OE1 GLU A 17 -10.317 -15.268 1.656 1.00 64.20 O ATOM 282 OE2 GLU A 17 -8.731 -15.064 0.166 1.00 53.55 O ATOM 0 H GLU A 17 -13.808 -18.685 -1.981 1.00 31.33 H new ATOM 0 HA GLU A 17 -13.235 -16.568 -1.847 1.00 1.25 H new ATOM 0 HB2 GLU A 17 -11.898 -17.237 0.113 1.00 24.02 H new ATOM 0 HB3 GLU A 17 -10.511 -17.541 -0.914 1.00 24.02 H new ATOM 0 HG2 GLU A 17 -10.546 -15.100 -1.594 1.00 51.42 H new ATOM 0 HG3 GLU A 17 -11.841 -14.835 -0.444 1.00 51.42 H new ATOM 289 N PRO A 18 -12.489 -16.177 -4.321 1.00 1.03 N ATOM 290 CA PRO A 18 -11.934 -15.554 -5.555 1.00 24.43 C ATOM 291 C PRO A 18 -10.804 -14.532 -5.260 1.00 72.35 C ATOM 292 O PRO A 18 -10.850 -13.814 -4.258 1.00 20.11 O ATOM 293 CB PRO A 18 -13.165 -14.847 -6.186 1.00 35.03 C ATOM 294 CG PRO A 18 -14.343 -15.643 -5.707 1.00 20.12 C ATOM 295 CD PRO A 18 -13.981 -16.130 -4.314 1.00 54.44 C ATOM 0 HA PRO A 18 -11.469 -16.294 -6.207 1.00 24.43 H new ATOM 0 HB2 PRO A 18 -13.232 -13.807 -5.866 1.00 35.03 H new ATOM 0 HB3 PRO A 18 -13.105 -14.843 -7.274 1.00 35.03 H new ATOM 0 HG2 PRO A 18 -15.244 -15.031 -5.684 1.00 20.12 H new ATOM 0 HG3 PRO A 18 -14.544 -16.482 -6.374 1.00 20.12 H new ATOM 0 HD2 PRO A 18 -14.355 -15.453 -3.546 1.00 54.44 H new ATOM 0 HD3 PRO A 18 -14.410 -17.111 -4.111 1.00 54.44 H new ATOM 303 N LEU A 19 -9.802 -14.478 -6.144 1.00 42.22 N ATOM 304 CA LEU A 19 -8.687 -13.508 -6.050 1.00 51.43 C ATOM 305 C LEU A 19 -9.201 -12.064 -6.315 1.00 14.45 C ATOM 306 O LEU A 19 -8.574 -11.086 -5.919 1.00 1.11 O ATOM 307 CB LEU A 19 -7.545 -13.923 -7.022 1.00 64.40 C ATOM 308 CG LEU A 19 -6.084 -13.821 -6.475 1.00 42.22 C ATOM 309 CD1 LEU A 19 -5.645 -12.375 -6.206 1.00 30.21 C ATOM 310 CD2 LEU A 19 -5.877 -14.692 -5.213 1.00 40.04 C ATOM 0 H LEU A 19 -9.734 -15.102 -6.948 1.00 42.22 H new ATOM 0 HA LEU A 19 -8.276 -13.516 -5.040 1.00 51.43 H new ATOM 0 HB2 LEU A 19 -7.721 -14.953 -7.333 1.00 64.40 H new ATOM 0 HB3 LEU A 19 -7.617 -13.304 -7.916 1.00 64.40 H new ATOM 0 HG LEU A 19 -5.446 -14.210 -7.269 1.00 42.22 H new ATOM 0 HD11 LEU A 19 -4.623 -12.369 -5.828 1.00 30.21 H new ATOM 0 HD12 LEU A 19 -5.693 -11.802 -7.132 1.00 30.21 H new ATOM 0 HD13 LEU A 19 -6.308 -11.925 -5.467 1.00 30.21 H new ATOM 0 HD21 LEU A 19 -4.849 -14.592 -4.866 1.00 40.04 H new ATOM 0 HD22 LEU A 19 -6.558 -14.363 -4.428 1.00 40.04 H new ATOM 0 HD23 LEU A 19 -6.078 -15.736 -5.454 1.00 40.04 H new ATOM 322 N ASP A 20 -10.321 -11.966 -7.043 1.00 52.01 N ATOM 323 CA ASP A 20 -11.118 -10.722 -7.154 1.00 31.44 C ATOM 324 C ASP A 20 -11.613 -10.222 -5.756 1.00 4.23 C ATOM 325 O ASP A 20 -11.669 -9.012 -5.512 1.00 53.20 O ATOM 326 CB ASP A 20 -12.309 -10.962 -8.116 1.00 13.23 C ATOM 327 CG ASP A 20 -13.189 -9.718 -8.342 1.00 75.13 C ATOM 328 OD1 ASP A 20 -12.651 -8.674 -8.774 1.00 41.31 O ATOM 329 OD2 ASP A 20 -14.414 -9.780 -8.099 1.00 34.35 O ATOM 0 H ASP A 20 -10.707 -12.746 -7.576 1.00 52.01 H new ATOM 0 HA ASP A 20 -10.481 -9.936 -7.559 1.00 31.44 H new ATOM 0 HB2 ASP A 20 -11.924 -11.302 -9.077 1.00 13.23 H new ATOM 0 HB3 ASP A 20 -12.928 -11.766 -7.718 1.00 13.23 H new ATOM 334 N LYS A 21 -11.981 -11.162 -4.854 1.00 50.01 N ATOM 335 CA LYS A 21 -12.357 -10.834 -3.446 1.00 21.02 C ATOM 336 C LYS A 21 -11.124 -10.443 -2.597 1.00 23.22 C ATOM 337 O LYS A 21 -11.227 -9.593 -1.710 1.00 74.21 O ATOM 338 CB LYS A 21 -13.119 -12.003 -2.777 1.00 12.33 C ATOM 339 CG LYS A 21 -14.518 -12.225 -3.368 1.00 70.45 C ATOM 340 CD LYS A 21 -15.403 -13.156 -2.513 1.00 23.15 C ATOM 341 CE LYS A 21 -16.848 -13.187 -3.030 1.00 73.22 C ATOM 342 NZ LYS A 21 -17.495 -11.850 -2.950 1.00 64.31 N ATOM 0 H LYS A 21 -12.028 -12.158 -5.071 1.00 50.01 H new ATOM 0 HA LYS A 21 -13.021 -9.971 -3.492 1.00 21.02 H new ATOM 0 HB2 LYS A 21 -12.536 -12.918 -2.885 1.00 12.33 H new ATOM 0 HB3 LYS A 21 -13.209 -11.806 -1.709 1.00 12.33 H new ATOM 0 HG2 LYS A 21 -15.016 -11.261 -3.477 1.00 70.45 H new ATOM 0 HG3 LYS A 21 -14.419 -12.647 -4.368 1.00 70.45 H new ATOM 0 HD2 LYS A 21 -14.989 -14.164 -2.524 1.00 23.15 H new ATOM 0 HD3 LYS A 21 -15.393 -12.819 -1.477 1.00 23.15 H new ATOM 0 HE2 LYS A 21 -16.856 -13.533 -4.064 1.00 73.22 H new ATOM 0 HE3 LYS A 21 -17.426 -13.905 -2.449 1.00 73.22 H new ATOM 0 HZ1 LYS A 21 -18.526 -11.958 -3.028 1.00 64.31 H new ATOM 0 HZ2 LYS A 21 -17.261 -11.405 -2.039 1.00 64.31 H new ATOM 0 HZ3 LYS A 21 -17.150 -11.251 -3.727 1.00 64.31 H new ATOM 356 N LYS A 22 -9.974 -11.101 -2.863 1.00 44.42 N ATOM 357 CA LYS A 22 -8.651 -10.701 -2.306 1.00 60.13 C ATOM 358 C LYS A 22 -8.336 -9.231 -2.683 1.00 14.32 C ATOM 359 O LYS A 22 -7.990 -8.411 -1.832 1.00 11.25 O ATOM 360 CB LYS A 22 -7.545 -11.652 -2.865 1.00 72.55 C ATOM 361 CG LYS A 22 -6.071 -11.221 -2.613 1.00 65.03 C ATOM 362 CD LYS A 22 -5.677 -11.246 -1.127 1.00 21.11 C ATOM 363 CE LYS A 22 -4.183 -10.968 -0.890 1.00 12.42 C ATOM 364 NZ LYS A 22 -3.833 -11.020 0.554 1.00 0.23 N ATOM 0 H LYS A 22 -9.930 -11.922 -3.467 1.00 44.42 H new ATOM 0 HA LYS A 22 -8.677 -10.780 -1.219 1.00 60.13 H new ATOM 0 HB2 LYS A 22 -7.691 -12.640 -2.429 1.00 72.55 H new ATOM 0 HB3 LYS A 22 -7.693 -11.753 -3.940 1.00 72.55 H new ATOM 0 HG2 LYS A 22 -5.406 -11.882 -3.169 1.00 65.03 H new ATOM 0 HG3 LYS A 22 -5.922 -10.215 -3.005 1.00 65.03 H new ATOM 0 HD2 LYS A 22 -6.267 -10.504 -0.589 1.00 21.11 H new ATOM 0 HD3 LYS A 22 -5.929 -12.220 -0.707 1.00 21.11 H new ATOM 0 HE2 LYS A 22 -3.586 -11.700 -1.435 1.00 12.42 H new ATOM 0 HE3 LYS A 22 -3.928 -9.987 -1.291 1.00 12.42 H new ATOM 0 HZ1 LYS A 22 -2.806 -11.151 0.658 1.00 0.23 H new ATOM 0 HZ2 LYS A 22 -4.117 -10.131 1.012 1.00 0.23 H new ATOM 0 HZ3 LYS A 22 -4.330 -11.815 1.003 1.00 0.23 H new ATOM 378 N ARG A 23 -8.498 -8.939 -3.977 1.00 45.45 N ATOM 379 CA ARG A 23 -8.225 -7.625 -4.588 1.00 54.13 C ATOM 380 C ARG A 23 -9.138 -6.525 -3.994 1.00 52.35 C ATOM 381 O ARG A 23 -8.668 -5.449 -3.628 1.00 63.43 O ATOM 382 CB ARG A 23 -8.412 -7.760 -6.127 1.00 11.34 C ATOM 383 CG ARG A 23 -7.841 -6.609 -6.978 1.00 72.53 C ATOM 384 CD ARG A 23 -7.913 -6.900 -8.495 1.00 54.32 C ATOM 385 NE ARG A 23 -7.291 -8.201 -8.850 1.00 42.21 N ATOM 386 CZ ARG A 23 -6.680 -8.482 -9.986 1.00 44.21 C ATOM 387 NH1 ARG A 23 -6.478 -7.572 -10.888 1.00 2.41 N ATOM 388 NH2 ARG A 23 -6.249 -9.680 -10.200 1.00 0.11 N ATOM 0 H ARG A 23 -8.832 -9.627 -4.652 1.00 45.45 H new ATOM 0 HA ARG A 23 -7.202 -7.319 -4.370 1.00 54.13 H new ATOM 0 HB2 ARG A 23 -7.946 -8.691 -6.450 1.00 11.34 H new ATOM 0 HB3 ARG A 23 -9.478 -7.848 -6.338 1.00 11.34 H new ATOM 0 HG2 ARG A 23 -8.391 -5.694 -6.761 1.00 72.53 H new ATOM 0 HG3 ARG A 23 -6.804 -6.432 -6.694 1.00 72.53 H new ATOM 0 HD2 ARG A 23 -8.955 -6.899 -8.814 1.00 54.32 H new ATOM 0 HD3 ARG A 23 -7.412 -6.100 -9.040 1.00 54.32 H new ATOM 0 HE ARG A 23 -7.340 -8.944 -8.153 1.00 42.21 H new ATOM 0 HH11 ARG A 23 -6.794 -6.615 -10.727 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -6.004 -7.813 -11.758 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -6.381 -10.403 -9.493 1.00 0.11 H new ATOM 0 HH22 ARG A 23 -5.776 -9.903 -11.076 1.00 0.11 H new ATOM 402 N ALA A 24 -10.441 -6.838 -3.871 1.00 33.24 N ATOM 403 CA ALA A 24 -11.442 -5.917 -3.272 1.00 72.40 C ATOM 404 C ALA A 24 -11.158 -5.657 -1.770 1.00 42.32 C ATOM 405 O ALA A 24 -11.344 -4.541 -1.285 1.00 14.24 O ATOM 406 CB ALA A 24 -12.858 -6.477 -3.458 1.00 73.13 C ATOM 0 H ALA A 24 -10.834 -7.727 -4.179 1.00 33.24 H new ATOM 0 HA ALA A 24 -11.364 -4.962 -3.792 1.00 72.40 H new ATOM 0 HB1 ALA A 24 -13.581 -5.792 -3.015 1.00 73.13 H new ATOM 0 HB2 ALA A 24 -13.068 -6.588 -4.522 1.00 73.13 H new ATOM 0 HB3 ALA A 24 -12.932 -7.449 -2.970 1.00 73.13 H new ATOM 412 N ARG A 25 -10.723 -6.718 -1.054 1.00 4.42 N ATOM 413 CA ARG A 25 -10.333 -6.642 0.381 1.00 40.34 C ATOM 414 C ARG A 25 -9.186 -5.631 0.603 1.00 54.45 C ATOM 415 O ARG A 25 -9.179 -4.887 1.583 1.00 63.13 O ATOM 416 CB ARG A 25 -9.863 -8.030 0.897 1.00 54.23 C ATOM 417 CG ARG A 25 -9.438 -8.061 2.398 1.00 30.12 C ATOM 418 CD ARG A 25 -8.428 -9.176 2.710 1.00 75.53 C ATOM 419 NE ARG A 25 -8.915 -10.497 2.295 1.00 43.23 N ATOM 420 CZ ARG A 25 -8.178 -11.575 2.195 1.00 74.53 C ATOM 421 NH1 ARG A 25 -6.921 -11.580 2.530 1.00 23.23 N ATOM 422 NH2 ARG A 25 -8.718 -12.655 1.763 1.00 11.53 N ATOM 0 H ARG A 25 -10.631 -7.653 -1.450 1.00 4.42 H new ATOM 0 HA ARG A 25 -11.215 -6.315 0.931 1.00 40.34 H new ATOM 0 HB2 ARG A 25 -10.668 -8.749 0.747 1.00 54.23 H new ATOM 0 HB3 ARG A 25 -9.022 -8.362 0.289 1.00 54.23 H new ATOM 0 HG2 ARG A 25 -9.004 -7.098 2.667 1.00 30.12 H new ATOM 0 HG3 ARG A 25 -10.324 -8.196 3.019 1.00 30.12 H new ATOM 0 HD2 ARG A 25 -7.486 -8.963 2.205 1.00 75.53 H new ATOM 0 HD3 ARG A 25 -8.220 -9.187 3.780 1.00 75.53 H new ATOM 0 HE ARG A 25 -9.905 -10.582 2.066 1.00 43.23 H new ATOM 0 HH11 ARG A 25 -6.484 -10.728 2.882 1.00 23.23 H new ATOM 0 HH12 ARG A 25 -6.373 -12.436 2.441 1.00 23.23 H new ATOM 0 HH21 ARG A 25 -9.705 -12.664 1.504 1.00 11.53 H new ATOM 0 HH22 ARG A 25 -8.161 -13.505 1.678 1.00 11.53 H new ATOM 436 N LEU A 26 -8.196 -5.661 -0.301 1.00 13.04 N ATOM 437 CA LEU A 26 -7.022 -4.778 -0.227 1.00 20.04 C ATOM 438 C LEU A 26 -7.407 -3.301 -0.434 1.00 41.00 C ATOM 439 O LEU A 26 -7.058 -2.451 0.383 1.00 54.43 O ATOM 440 CB LEU A 26 -5.976 -5.206 -1.263 1.00 42.31 C ATOM 441 CG LEU A 26 -5.431 -6.650 -1.107 1.00 72.42 C ATOM 442 CD1 LEU A 26 -4.476 -6.996 -2.249 1.00 2.21 C ATOM 443 CD2 LEU A 26 -4.768 -6.840 0.266 1.00 51.12 C ATOM 0 H LEU A 26 -8.186 -6.295 -1.100 1.00 13.04 H new ATOM 0 HA LEU A 26 -6.597 -4.870 0.772 1.00 20.04 H new ATOM 0 HB2 LEU A 26 -6.413 -5.107 -2.257 1.00 42.31 H new ATOM 0 HB3 LEU A 26 -5.137 -4.512 -1.213 1.00 42.31 H new ATOM 0 HG LEU A 26 -6.271 -7.342 -1.162 1.00 72.42 H new ATOM 0 HD11 LEU A 26 -4.106 -8.013 -2.119 1.00 2.21 H new ATOM 0 HD12 LEU A 26 -5.003 -6.921 -3.200 1.00 2.21 H new ATOM 0 HD13 LEU A 26 -3.636 -6.301 -2.244 1.00 2.21 H new ATOM 0 HD21 LEU A 26 -4.394 -7.860 0.351 1.00 51.12 H new ATOM 0 HD22 LEU A 26 -3.939 -6.140 0.370 1.00 51.12 H new ATOM 0 HD23 LEU A 26 -5.500 -6.655 1.052 1.00 51.12 H new ATOM 455 N ILE A 27 -8.145 -3.026 -1.527 1.00 61.15 N ATOM 456 CA ILE A 27 -8.683 -1.676 -1.826 1.00 24.23 C ATOM 457 C ILE A 27 -9.562 -1.153 -0.645 1.00 63.25 C ATOM 458 O ILE A 27 -9.563 0.039 -0.339 1.00 34.21 O ATOM 459 CB ILE A 27 -9.506 -1.678 -3.179 1.00 5.45 C ATOM 460 CG1 ILE A 27 -8.663 -2.280 -4.350 1.00 10.24 C ATOM 461 CG2 ILE A 27 -9.992 -0.252 -3.549 1.00 22.03 C ATOM 462 CD1 ILE A 27 -9.392 -2.440 -5.681 1.00 13.31 C ATOM 0 H ILE A 27 -8.387 -3.727 -2.227 1.00 61.15 H new ATOM 0 HA ILE A 27 -7.837 -0.999 -1.947 1.00 24.23 H new ATOM 0 HB ILE A 27 -10.382 -2.307 -3.023 1.00 5.45 H new ATOM 0 HG12 ILE A 27 -7.792 -1.645 -4.509 1.00 10.24 H new ATOM 0 HG13 ILE A 27 -8.293 -3.257 -4.041 1.00 10.24 H new ATOM 0 HG21 ILE A 27 -10.553 -0.290 -4.483 1.00 22.03 H new ATOM 0 HG22 ILE A 27 -10.633 0.131 -2.755 1.00 22.03 H new ATOM 0 HG23 ILE A 27 -9.131 0.406 -3.669 1.00 22.03 H new ATOM 0 HD11 ILE A 27 -8.712 -2.866 -6.419 1.00 13.31 H new ATOM 0 HD12 ILE A 27 -10.247 -3.103 -5.550 1.00 13.31 H new ATOM 0 HD13 ILE A 27 -9.738 -1.466 -6.026 1.00 13.31 H new ATOM 474 N TYR A 28 -10.266 -2.085 0.023 1.00 61.04 N ATOM 475 CA TYR A 28 -11.063 -1.814 1.246 1.00 25.33 C ATOM 476 C TYR A 28 -10.157 -1.360 2.432 1.00 14.52 C ATOM 477 O TYR A 28 -10.432 -0.345 3.072 1.00 71.51 O ATOM 478 CB TYR A 28 -11.870 -3.091 1.613 1.00 24.23 C ATOM 479 CG TYR A 28 -12.739 -2.993 2.873 1.00 64.35 C ATOM 480 CD1 TYR A 28 -14.006 -2.406 2.829 1.00 45.30 C ATOM 481 CD2 TYR A 28 -12.296 -3.491 4.106 1.00 74.05 C ATOM 482 CE1 TYR A 28 -14.793 -2.320 3.961 1.00 43.41 C ATOM 483 CE2 TYR A 28 -13.081 -3.403 5.238 1.00 41.41 C ATOM 484 CZ TYR A 28 -14.330 -2.818 5.162 1.00 22.04 C ATOM 485 OH TYR A 28 -15.118 -2.717 6.293 1.00 0.54 O ATOM 0 H TYR A 28 -10.301 -3.061 -0.270 1.00 61.04 H new ATOM 0 HA TYR A 28 -11.752 -0.993 1.047 1.00 25.33 H new ATOM 0 HB2 TYR A 28 -12.513 -3.346 0.770 1.00 24.23 H new ATOM 0 HB3 TYR A 28 -11.169 -3.916 1.741 1.00 24.23 H new ATOM 0 HD1 TYR A 28 -14.377 -2.013 1.894 1.00 45.30 H new ATOM 0 HD2 TYR A 28 -11.322 -3.952 4.172 1.00 74.05 H new ATOM 0 HE1 TYR A 28 -15.770 -1.863 3.906 1.00 43.41 H new ATOM 0 HE2 TYR A 28 -12.720 -3.790 6.179 1.00 41.41 H new ATOM 0 HH TYR A 28 -14.649 -3.116 7.055 1.00 0.54 H new ATOM 495 N GLN A 29 -9.078 -2.126 2.700 1.00 15.23 N ATOM 496 CA GLN A 29 -8.105 -1.824 3.797 1.00 33.42 C ATOM 497 C GLN A 29 -7.263 -0.554 3.493 1.00 73.30 C ATOM 498 O GLN A 29 -6.642 0.025 4.389 1.00 73.34 O ATOM 499 CB GLN A 29 -7.157 -3.030 4.023 1.00 54.23 C ATOM 500 CG GLN A 29 -7.842 -4.339 4.452 1.00 33.20 C ATOM 501 CD GLN A 29 -6.856 -5.516 4.524 1.00 62.32 C ATOM 502 OE1 GLN A 29 -6.282 -5.799 5.569 1.00 0.13 O ATOM 503 NE2 GLN A 29 -6.616 -6.183 3.403 1.00 54.11 N ATOM 0 H GLN A 29 -8.849 -2.968 2.172 1.00 15.23 H new ATOM 0 HA GLN A 29 -8.686 -1.637 4.700 1.00 33.42 H new ATOM 0 HB2 GLN A 29 -6.605 -3.214 3.101 1.00 54.23 H new ATOM 0 HB3 GLN A 29 -6.425 -2.757 4.783 1.00 54.23 H new ATOM 0 HG2 GLN A 29 -8.310 -4.199 5.427 1.00 33.20 H new ATOM 0 HG3 GLN A 29 -8.639 -4.578 3.747 1.00 33.20 H new ATOM 0 HE21 GLN A 29 -7.105 -5.930 2.544 1.00 54.11 H new ATOM 0 HE22 GLN A 29 -5.942 -6.949 3.399 1.00 54.11 H new ATOM 512 N SER A 30 -7.216 -0.176 2.210 1.00 52.23 N ATOM 513 CA SER A 30 -6.606 1.082 1.740 1.00 4.42 C ATOM 514 C SER A 30 -7.534 2.283 2.031 1.00 22.54 C ATOM 515 O SER A 30 -7.069 3.370 2.384 1.00 24.21 O ATOM 516 CB SER A 30 -6.339 0.983 0.230 1.00 31.01 C ATOM 517 OG SER A 30 -5.533 -0.141 -0.080 1.00 23.25 O ATOM 0 H SER A 30 -7.605 -0.741 1.455 1.00 52.23 H new ATOM 0 HA SER A 30 -5.667 1.239 2.271 1.00 4.42 H new ATOM 0 HB2 SER A 30 -7.286 0.912 -0.305 1.00 31.01 H new ATOM 0 HB3 SER A 30 -5.846 1.892 -0.114 1.00 31.01 H new ATOM 0 HG SER A 30 -6.044 -0.963 0.075 1.00 23.25 H new ATOM 523 N ARG A 31 -8.854 2.052 1.848 1.00 62.53 N ATOM 524 CA ARG A 31 -9.918 3.046 2.132 1.00 32.02 C ATOM 525 C ARG A 31 -10.234 3.149 3.643 1.00 52.23 C ATOM 526 O ARG A 31 -11.008 4.018 4.056 1.00 42.42 O ATOM 527 CB ARG A 31 -11.198 2.674 1.339 1.00 31.30 C ATOM 528 CG ARG A 31 -11.052 2.818 -0.194 1.00 34.02 C ATOM 529 CD ARG A 31 -12.253 2.252 -0.971 1.00 35.31 C ATOM 530 NE ARG A 31 -12.116 2.472 -2.423 1.00 42.12 N ATOM 531 CZ ARG A 31 -12.911 1.990 -3.354 1.00 31.33 C ATOM 532 NH1 ARG A 31 -13.902 1.211 -3.064 1.00 15.41 N ATOM 533 NH2 ARG A 31 -12.691 2.286 -4.589 1.00 41.10 N ATOM 0 H ARG A 31 -9.215 1.165 1.497 1.00 62.53 H new ATOM 0 HA ARG A 31 -9.556 4.024 1.814 1.00 32.02 H new ATOM 0 HB2 ARG A 31 -11.472 1.645 1.573 1.00 31.30 H new ATOM 0 HB3 ARG A 31 -12.019 3.307 1.677 1.00 31.30 H new ATOM 0 HG2 ARG A 31 -10.929 3.872 -0.444 1.00 34.02 H new ATOM 0 HG3 ARG A 31 -10.145 2.307 -0.516 1.00 34.02 H new ATOM 0 HD2 ARG A 31 -12.345 1.184 -0.772 1.00 35.31 H new ATOM 0 HD3 ARG A 31 -13.170 2.722 -0.617 1.00 35.31 H new ATOM 0 HE ARG A 31 -11.335 3.050 -2.733 1.00 42.12 H new ATOM 0 HH11 ARG A 31 -14.083 0.956 -2.093 1.00 15.41 H new ATOM 0 HH12 ARG A 31 -14.502 0.852 -3.806 1.00 15.41 H new ATOM 0 HH21 ARG A 31 -11.906 2.889 -4.837 1.00 41.10 H new ATOM 0 HH22 ARG A 31 -13.301 1.917 -5.318 1.00 41.10 H new ATOM 547 N LYS A 32 -9.688 2.225 4.458 1.00 63.13 N ATOM 548 CA LYS A 32 -9.718 2.338 5.935 1.00 24.43 C ATOM 549 C LYS A 32 -8.297 2.656 6.444 1.00 33.34 C ATOM 550 O LYS A 32 -7.421 1.790 6.419 1.00 53.35 O ATOM 551 CB LYS A 32 -10.256 1.015 6.583 1.00 63.01 C ATOM 552 CG LYS A 32 -11.799 0.892 6.643 1.00 75.01 C ATOM 553 CD LYS A 32 -12.486 0.852 5.260 1.00 1.24 C ATOM 554 CE LYS A 32 -14.017 0.886 5.371 1.00 41.23 C ATOM 555 NZ LYS A 32 -14.505 2.107 6.070 1.00 44.24 N ATOM 0 H LYS A 32 -9.218 1.386 4.118 1.00 63.13 H new ATOM 0 HA LYS A 32 -10.394 3.144 6.222 1.00 24.43 H new ATOM 0 HB2 LYS A 32 -9.861 0.168 6.022 1.00 63.01 H new ATOM 0 HB3 LYS A 32 -9.861 0.939 7.596 1.00 63.01 H new ATOM 0 HG2 LYS A 32 -12.059 -0.013 7.191 1.00 75.01 H new ATOM 0 HG3 LYS A 32 -12.197 1.733 7.210 1.00 75.01 H new ATOM 0 HD2 LYS A 32 -12.148 1.700 4.664 1.00 1.24 H new ATOM 0 HD3 LYS A 32 -12.182 -0.051 4.731 1.00 1.24 H new ATOM 0 HE2 LYS A 32 -14.453 0.843 4.373 1.00 41.23 H new ATOM 0 HE3 LYS A 32 -14.360 0.001 5.907 1.00 41.23 H new ATOM 0 HZ1 LYS A 32 -15.522 2.228 5.889 1.00 44.24 H new ATOM 0 HZ2 LYS A 32 -14.345 2.009 7.093 1.00 44.24 H new ATOM 0 HZ3 LYS A 32 -13.990 2.938 5.717 1.00 44.24 H new ATOM 569 N ARG A 33 -8.095 3.887 6.956 1.00 2.00 N ATOM 570 CA ARG A 33 -6.781 4.360 7.456 1.00 22.33 C ATOM 571 C ARG A 33 -6.969 5.432 8.559 1.00 54.32 C ATOM 572 O ARG A 33 -7.937 6.203 8.524 1.00 44.34 O ATOM 573 CB ARG A 33 -5.897 4.914 6.274 1.00 12.41 C ATOM 574 CG ARG A 33 -4.477 4.300 6.193 1.00 14.40 C ATOM 575 CD ARG A 33 -4.494 2.805 5.797 1.00 70.32 C ATOM 576 NE ARG A 33 -3.329 2.063 6.316 1.00 43.03 N ATOM 577 CZ ARG A 33 -3.332 0.777 6.614 1.00 23.31 C ATOM 578 NH1 ARG A 33 -4.359 0.016 6.357 1.00 62.41 N ATOM 579 NH2 ARG A 33 -2.292 0.248 7.169 1.00 34.52 N ATOM 0 H ARG A 33 -8.836 4.584 7.036 1.00 2.00 H new ATOM 0 HA ARG A 33 -6.258 3.511 7.896 1.00 22.33 H new ATOM 0 HB2 ARG A 33 -6.414 4.728 5.332 1.00 12.41 H new ATOM 0 HB3 ARG A 33 -5.806 5.995 6.380 1.00 12.41 H new ATOM 0 HG2 ARG A 33 -3.886 4.857 5.466 1.00 14.40 H new ATOM 0 HG3 ARG A 33 -3.982 4.410 7.158 1.00 14.40 H new ATOM 0 HD2 ARG A 33 -5.408 2.345 6.172 1.00 70.32 H new ATOM 0 HD3 ARG A 33 -4.517 2.722 4.710 1.00 70.32 H new ATOM 0 HE ARG A 33 -2.461 2.580 6.454 1.00 43.03 H new ATOM 0 HH11 ARG A 33 -5.189 0.411 5.914 1.00 62.41 H new ATOM 0 HH12 ARG A 33 -4.333 -0.975 6.599 1.00 62.41 H new ATOM 0 HH21 ARG A 33 -1.475 0.823 7.374 1.00 34.52 H new ATOM 0 HH22 ARG A 33 -2.288 -0.745 7.402 1.00 34.52 H new ATOM 593 N GLY A 34 -6.026 5.476 9.526 1.00 22.24 N ATOM 594 CA GLY A 34 -6.042 6.492 10.593 1.00 13.21 C ATOM 595 C GLY A 34 -5.536 7.875 10.136 1.00 12.51 C ATOM 596 O GLY A 34 -5.758 8.871 10.822 1.00 72.55 O ATOM 0 H GLY A 34 -5.247 4.820 9.587 1.00 22.24 H new ATOM 0 HA2 GLY A 34 -7.059 6.593 10.971 1.00 13.21 H new ATOM 0 HA3 GLY A 34 -5.426 6.145 11.423 1.00 13.21 H new ATOM 600 N ILE A 35 -4.837 7.926 8.972 1.00 5.12 N ATOM 601 CA ILE A 35 -4.278 9.183 8.398 1.00 51.40 C ATOM 602 C ILE A 35 -4.917 9.462 7.022 1.00 2.42 C ATOM 603 O ILE A 35 -4.934 8.575 6.174 1.00 70.52 O ATOM 604 CB ILE A 35 -2.707 9.087 8.215 1.00 72.53 C ATOM 605 CG1 ILE A 35 -2.018 8.587 9.514 1.00 62.52 C ATOM 606 CG2 ILE A 35 -2.086 10.434 7.755 1.00 41.22 C ATOM 607 CD1 ILE A 35 -2.263 9.433 10.744 1.00 3.30 C ATOM 0 H ILE A 35 -4.644 7.100 8.405 1.00 5.12 H new ATOM 0 HA ILE A 35 -4.504 9.991 9.094 1.00 51.40 H new ATOM 0 HB ILE A 35 -2.529 8.357 7.425 1.00 72.53 H new ATOM 0 HG12 ILE A 35 -2.358 7.572 9.718 1.00 62.52 H new ATOM 0 HG13 ILE A 35 -0.944 8.534 9.338 1.00 62.52 H new ATOM 0 HG21 ILE A 35 -1.008 10.318 7.643 1.00 41.22 H new ATOM 0 HG22 ILE A 35 -2.520 10.727 6.799 1.00 41.22 H new ATOM 0 HG23 ILE A 35 -2.293 11.203 8.499 1.00 41.22 H new ATOM 0 HD11 ILE A 35 -1.739 8.998 11.595 1.00 3.30 H new ATOM 0 HD12 ILE A 35 -1.895 10.444 10.569 1.00 3.30 H new ATOM 0 HD13 ILE A 35 -3.332 9.467 10.955 1.00 3.30 H new ATOM 619 N LEU A 36 -5.411 10.701 6.808 1.00 22.40 N ATOM 620 CA LEU A 36 -6.031 11.125 5.518 1.00 21.32 C ATOM 621 C LEU A 36 -5.005 11.149 4.359 1.00 25.41 C ATOM 622 O LEU A 36 -5.337 10.780 3.229 1.00 34.44 O ATOM 623 CB LEU A 36 -6.728 12.520 5.661 1.00 1.25 C ATOM 624 CG LEU A 36 -8.119 12.544 6.381 1.00 15.12 C ATOM 625 CD1 LEU A 36 -9.141 11.645 5.648 1.00 13.31 C ATOM 626 CD2 LEU A 36 -8.005 12.173 7.877 1.00 22.14 C ATOM 0 H LEU A 36 -5.395 11.436 7.515 1.00 22.40 H new ATOM 0 HA LEU A 36 -6.788 10.381 5.271 1.00 21.32 H new ATOM 0 HB2 LEU A 36 -6.053 13.183 6.203 1.00 1.25 H new ATOM 0 HB3 LEU A 36 -6.855 12.940 4.663 1.00 1.25 H new ATOM 0 HG LEU A 36 -8.487 13.569 6.339 1.00 15.12 H new ATOM 0 HD11 LEU A 36 -10.097 11.681 6.170 1.00 13.31 H new ATOM 0 HD12 LEU A 36 -9.272 12.001 4.626 1.00 13.31 H new ATOM 0 HD13 LEU A 36 -8.776 10.618 5.631 1.00 13.31 H new ATOM 0 HD21 LEU A 36 -8.993 12.203 8.336 1.00 22.14 H new ATOM 0 HD22 LEU A 36 -7.591 11.169 7.972 1.00 22.14 H new ATOM 0 HD23 LEU A 36 -7.350 12.885 8.380 1.00 22.14 H new ATOM 638 N GLU A 37 -3.764 11.582 4.654 1.00 2.33 N ATOM 639 CA GLU A 37 -2.649 11.566 3.669 1.00 25.04 C ATOM 640 C GLU A 37 -2.344 10.127 3.186 1.00 1.43 C ATOM 641 O GLU A 37 -2.242 9.871 1.982 1.00 50.21 O ATOM 642 CB GLU A 37 -1.376 12.203 4.287 1.00 10.02 C ATOM 643 CG GLU A 37 -1.450 13.725 4.525 1.00 42.55 C ATOM 644 CD GLU A 37 -1.675 14.525 3.226 1.00 70.42 C ATOM 645 OE1 GLU A 37 -0.756 14.579 2.380 1.00 71.22 O ATOM 646 OE2 GLU A 37 -2.769 15.102 3.044 1.00 20.32 O ATOM 0 H GLU A 37 -3.501 11.950 5.568 1.00 2.33 H new ATOM 0 HA GLU A 37 -2.959 12.153 2.804 1.00 25.04 H new ATOM 0 HB2 GLU A 37 -1.170 11.713 5.238 1.00 10.02 H new ATOM 0 HB3 GLU A 37 -0.531 11.995 3.631 1.00 10.02 H new ATOM 0 HG2 GLU A 37 -2.259 13.940 5.223 1.00 42.55 H new ATOM 0 HG3 GLU A 37 -0.526 14.059 4.996 1.00 42.55 H new ATOM 653 N THR A 38 -2.219 9.203 4.150 1.00 14.14 N ATOM 654 CA THR A 38 -1.959 7.770 3.884 1.00 41.05 C ATOM 655 C THR A 38 -3.180 7.077 3.230 1.00 22.43 C ATOM 656 O THR A 38 -3.023 6.136 2.445 1.00 70.43 O ATOM 657 CB THR A 38 -1.598 7.014 5.200 1.00 14.02 C ATOM 658 OG1 THR A 38 -0.545 7.705 5.888 1.00 73.01 O ATOM 659 CG2 THR A 38 -1.162 5.563 4.941 1.00 52.34 C ATOM 0 H THR A 38 -2.295 9.424 5.143 1.00 14.14 H new ATOM 0 HA THR A 38 -1.117 7.729 3.193 1.00 41.05 H new ATOM 0 HB THR A 38 -2.500 6.989 5.811 1.00 14.02 H new ATOM 0 HG1 THR A 38 0.003 7.059 6.381 1.00 73.01 H new ATOM 0 HG21 THR A 38 -0.922 5.081 5.888 1.00 52.34 H new ATOM 0 HG22 THR A 38 -1.972 5.021 4.453 1.00 52.34 H new ATOM 0 HG23 THR A 38 -0.282 5.557 4.297 1.00 52.34 H new ATOM 667 N ASP A 39 -4.386 7.550 3.589 1.00 24.54 N ATOM 668 CA ASP A 39 -5.664 7.008 3.079 1.00 34.30 C ATOM 669 C ASP A 39 -5.771 7.206 1.553 1.00 75.34 C ATOM 670 O ASP A 39 -5.904 6.243 0.810 1.00 22.34 O ATOM 671 CB ASP A 39 -6.856 7.686 3.807 1.00 50.21 C ATOM 672 CG ASP A 39 -8.218 7.103 3.407 1.00 15.30 C ATOM 673 OD1 ASP A 39 -8.478 5.928 3.739 1.00 21.32 O ATOM 674 OD2 ASP A 39 -9.031 7.813 2.761 1.00 33.43 O ATOM 0 H ASP A 39 -4.506 8.323 4.244 1.00 24.54 H new ATOM 0 HA ASP A 39 -5.695 5.937 3.281 1.00 34.30 H new ATOM 0 HB2 ASP A 39 -6.724 7.579 4.884 1.00 50.21 H new ATOM 0 HB3 ASP A 39 -6.847 8.754 3.589 1.00 50.21 H new ATOM 679 N LEU A 40 -5.648 8.467 1.109 1.00 11.01 N ATOM 680 CA LEU A 40 -5.731 8.842 -0.325 1.00 13.24 C ATOM 681 C LEU A 40 -4.524 8.282 -1.134 1.00 2.24 C ATOM 682 O LEU A 40 -4.648 7.989 -2.332 1.00 61.45 O ATOM 683 CB LEU A 40 -5.822 10.389 -0.451 1.00 11.01 C ATOM 684 CG LEU A 40 -7.001 11.067 0.329 1.00 62.24 C ATOM 685 CD1 LEU A 40 -6.966 12.605 0.180 1.00 72.20 C ATOM 686 CD2 LEU A 40 -8.370 10.487 -0.100 1.00 53.13 C ATOM 0 H LEU A 40 -5.488 9.261 1.729 1.00 11.01 H new ATOM 0 HA LEU A 40 -6.630 8.396 -0.750 1.00 13.24 H new ATOM 0 HB2 LEU A 40 -4.884 10.819 -0.100 1.00 11.01 H new ATOM 0 HB3 LEU A 40 -5.915 10.644 -1.507 1.00 11.01 H new ATOM 0 HG LEU A 40 -6.867 10.839 1.386 1.00 62.24 H new ATOM 0 HD11 LEU A 40 -7.797 13.043 0.733 1.00 72.20 H new ATOM 0 HD12 LEU A 40 -6.025 12.988 0.576 1.00 72.20 H new ATOM 0 HD13 LEU A 40 -7.051 12.870 -0.874 1.00 72.20 H new ATOM 0 HD21 LEU A 40 -9.165 10.979 0.460 1.00 53.13 H new ATOM 0 HD22 LEU A 40 -8.519 10.656 -1.166 1.00 53.13 H new ATOM 0 HD23 LEU A 40 -8.392 9.416 0.104 1.00 53.13 H new ATOM 698 N LEU A 41 -3.366 8.137 -0.451 1.00 23.53 N ATOM 699 CA LEU A 41 -2.152 7.485 -1.009 1.00 24.54 C ATOM 700 C LEU A 41 -2.429 6.005 -1.382 1.00 14.10 C ATOM 701 O LEU A 41 -2.316 5.613 -2.542 1.00 11.01 O ATOM 702 CB LEU A 41 -0.995 7.569 0.029 1.00 32.53 C ATOM 703 CG LEU A 41 0.319 6.785 -0.303 1.00 2.03 C ATOM 704 CD1 LEU A 41 1.062 7.386 -1.518 1.00 50.41 C ATOM 705 CD2 LEU A 41 1.232 6.687 0.940 1.00 14.40 C ATOM 0 H LEU A 41 -3.243 8.469 0.506 1.00 23.53 H new ATOM 0 HA LEU A 41 -1.866 8.010 -1.920 1.00 24.54 H new ATOM 0 HB2 LEU A 41 -0.737 8.619 0.164 1.00 32.53 H new ATOM 0 HB3 LEU A 41 -1.372 7.208 0.986 1.00 32.53 H new ATOM 0 HG LEU A 41 0.034 5.772 -0.586 1.00 2.03 H new ATOM 0 HD11 LEU A 41 1.967 6.811 -1.712 1.00 50.41 H new ATOM 0 HD12 LEU A 41 0.415 7.351 -2.394 1.00 50.41 H new ATOM 0 HD13 LEU A 41 1.329 8.421 -1.306 1.00 50.41 H new ATOM 0 HD21 LEU A 41 2.138 6.138 0.684 1.00 14.40 H new ATOM 0 HD22 LEU A 41 1.498 7.689 1.276 1.00 14.40 H new ATOM 0 HD23 LEU A 41 0.705 6.165 1.738 1.00 14.40 H new ATOM 717 N LEU A 42 -2.832 5.206 -0.383 1.00 54.34 N ATOM 718 CA LEU A 42 -3.054 3.753 -0.555 1.00 53.44 C ATOM 719 C LEU A 42 -4.304 3.456 -1.403 1.00 10.02 C ATOM 720 O LEU A 42 -4.295 2.520 -2.183 1.00 14.54 O ATOM 721 CB LEU A 42 -3.146 3.054 0.824 1.00 3.14 C ATOM 722 CG LEU A 42 -1.807 2.995 1.628 1.00 12.21 C ATOM 723 CD1 LEU A 42 -2.009 2.348 3.011 1.00 64.04 C ATOM 724 CD2 LEU A 42 -0.705 2.266 0.818 1.00 33.20 C ATOM 0 H LEU A 42 -3.014 5.541 0.563 1.00 54.34 H new ATOM 0 HA LEU A 42 -2.197 3.352 -1.096 1.00 53.44 H new ATOM 0 HB2 LEU A 42 -3.892 3.572 1.427 1.00 3.14 H new ATOM 0 HB3 LEU A 42 -3.507 2.037 0.675 1.00 3.14 H new ATOM 0 HG LEU A 42 -1.474 4.019 1.795 1.00 12.21 H new ATOM 0 HD11 LEU A 42 -1.058 2.323 3.543 1.00 64.04 H new ATOM 0 HD12 LEU A 42 -2.730 2.931 3.584 1.00 64.04 H new ATOM 0 HD13 LEU A 42 -2.382 1.331 2.886 1.00 64.04 H new ATOM 0 HD21 LEU A 42 0.216 2.239 1.400 1.00 33.20 H new ATOM 0 HD22 LEU A 42 -1.027 1.248 0.600 1.00 33.20 H new ATOM 0 HD23 LEU A 42 -0.528 2.798 -0.117 1.00 33.20 H new ATOM 736 N SER A 43 -5.367 4.257 -1.232 1.00 62.22 N ATOM 737 CA SER A 43 -6.637 4.111 -2.007 1.00 54.33 C ATOM 738 C SER A 43 -6.420 4.357 -3.517 1.00 35.21 C ATOM 739 O SER A 43 -6.911 3.591 -4.356 1.00 72.12 O ATOM 740 CB SER A 43 -7.730 5.061 -1.463 1.00 55.34 C ATOM 741 OG SER A 43 -8.150 4.681 -0.165 1.00 35.04 O ATOM 0 H SER A 43 -5.384 5.024 -0.560 1.00 62.22 H new ATOM 0 HA SER A 43 -6.972 3.082 -1.880 1.00 54.33 H new ATOM 0 HB2 SER A 43 -7.347 6.081 -1.438 1.00 55.34 H new ATOM 0 HB3 SER A 43 -8.585 5.058 -2.139 1.00 55.34 H new ATOM 0 HG SER A 43 -7.548 5.073 0.502 1.00 35.04 H new ATOM 747 N GLY A 44 -5.673 5.429 -3.848 1.00 51.14 N ATOM 748 CA GLY A 44 -5.286 5.723 -5.239 1.00 53.33 C ATOM 749 C GLY A 44 -4.372 4.643 -5.838 1.00 64.02 C ATOM 750 O GLY A 44 -4.531 4.244 -6.997 1.00 71.13 O ATOM 0 H GLY A 44 -5.326 6.106 -3.168 1.00 51.14 H new ATOM 0 HA2 GLY A 44 -6.184 5.814 -5.851 1.00 53.33 H new ATOM 0 HA3 GLY A 44 -4.777 6.686 -5.275 1.00 53.33 H new ATOM 754 N PHE A 45 -3.417 4.168 -5.012 1.00 43.24 N ATOM 755 CA PHE A 45 -2.501 3.052 -5.353 1.00 2.03 C ATOM 756 C PHE A 45 -3.291 1.736 -5.563 1.00 54.22 C ATOM 757 O PHE A 45 -2.947 0.923 -6.415 1.00 15.44 O ATOM 758 CB PHE A 45 -1.457 2.883 -4.208 1.00 33.21 C ATOM 759 CG PHE A 45 -0.335 1.873 -4.477 1.00 34.13 C ATOM 760 CD1 PHE A 45 -0.476 0.522 -4.145 1.00 40.43 C ATOM 761 CD2 PHE A 45 0.866 2.275 -5.056 1.00 64.03 C ATOM 762 CE1 PHE A 45 0.541 -0.383 -4.383 1.00 12.23 C ATOM 763 CE2 PHE A 45 1.879 1.366 -5.293 1.00 50.34 C ATOM 764 CZ PHE A 45 1.718 0.040 -4.956 1.00 41.12 C ATOM 0 H PHE A 45 -3.256 4.550 -4.080 1.00 43.24 H new ATOM 0 HA PHE A 45 -1.986 3.283 -6.286 1.00 2.03 H new ATOM 0 HB2 PHE A 45 -1.006 3.854 -4.006 1.00 33.21 H new ATOM 0 HB3 PHE A 45 -1.983 2.581 -3.302 1.00 33.21 H new ATOM 0 HD1 PHE A 45 -1.396 0.180 -3.695 1.00 40.43 H new ATOM 0 HD2 PHE A 45 1.007 3.312 -5.323 1.00 64.03 H new ATOM 0 HE1 PHE A 45 0.412 -1.422 -4.119 1.00 12.23 H new ATOM 0 HE2 PHE A 45 2.802 1.697 -5.745 1.00 50.34 H new ATOM 0 HZ PHE A 45 2.514 -0.666 -5.141 1.00 41.12 H new ATOM 774 N ALA A 46 -4.355 1.557 -4.772 1.00 3.30 N ATOM 775 CA ALA A 46 -5.151 0.318 -4.756 1.00 20.21 C ATOM 776 C ALA A 46 -6.025 0.166 -6.016 1.00 43.02 C ATOM 777 O ALA A 46 -6.073 -0.903 -6.631 1.00 53.00 O ATOM 778 CB ALA A 46 -6.006 0.259 -3.492 1.00 60.32 C ATOM 0 H ALA A 46 -4.692 2.267 -4.122 1.00 3.30 H new ATOM 0 HA ALA A 46 -4.453 -0.519 -4.755 1.00 20.21 H new ATOM 0 HB1 ALA A 46 -6.590 -0.661 -3.491 1.00 60.32 H new ATOM 0 HB2 ALA A 46 -5.360 0.280 -2.614 1.00 60.32 H new ATOM 0 HB3 ALA A 46 -6.679 1.116 -3.468 1.00 60.32 H new ATOM 784 N ALA A 47 -6.699 1.252 -6.392 1.00 22.52 N ATOM 785 CA ALA A 47 -7.570 1.290 -7.588 1.00 64.04 C ATOM 786 C ALA A 47 -6.756 1.198 -8.908 1.00 34.04 C ATOM 787 O ALA A 47 -7.267 0.743 -9.933 1.00 12.33 O ATOM 788 CB ALA A 47 -8.404 2.574 -7.557 1.00 14.43 C ATOM 0 H ALA A 47 -6.663 2.135 -5.883 1.00 22.52 H new ATOM 0 HA ALA A 47 -8.226 0.420 -7.563 1.00 64.04 H new ATOM 0 HB1 ALA A 47 -9.049 2.610 -8.435 1.00 14.43 H new ATOM 0 HB2 ALA A 47 -9.017 2.588 -6.656 1.00 14.43 H new ATOM 0 HB3 ALA A 47 -7.741 3.439 -7.558 1.00 14.43 H new ATOM 794 N LYS A 48 -5.493 1.657 -8.857 1.00 55.34 N ATOM 795 CA LYS A 48 -4.600 1.758 -10.033 1.00 42.32 C ATOM 796 C LYS A 48 -3.724 0.487 -10.251 1.00 45.20 C ATOM 797 O LYS A 48 -3.733 -0.113 -11.329 1.00 2.41 O ATOM 798 CB LYS A 48 -3.706 3.009 -9.848 1.00 61.32 C ATOM 799 CG LYS A 48 -2.780 3.353 -11.033 1.00 41.14 C ATOM 800 CD LYS A 48 -1.928 4.620 -10.768 1.00 75.24 C ATOM 801 CE LYS A 48 -2.780 5.887 -10.555 1.00 33.34 C ATOM 802 NZ LYS A 48 -3.548 6.263 -11.770 1.00 61.33 N ATOM 0 H LYS A 48 -5.056 1.972 -7.991 1.00 55.34 H new ATOM 0 HA LYS A 48 -5.218 1.845 -10.926 1.00 42.32 H new ATOM 0 HB2 LYS A 48 -4.350 3.867 -9.653 1.00 61.32 H new ATOM 0 HB3 LYS A 48 -3.090 2.864 -8.960 1.00 61.32 H new ATOM 0 HG2 LYS A 48 -2.119 2.509 -11.231 1.00 41.14 H new ATOM 0 HG3 LYS A 48 -3.382 3.504 -11.929 1.00 41.14 H new ATOM 0 HD2 LYS A 48 -1.306 4.455 -9.888 1.00 75.24 H new ATOM 0 HD3 LYS A 48 -1.254 4.780 -11.609 1.00 75.24 H new ATOM 0 HE2 LYS A 48 -3.471 5.722 -9.728 1.00 33.34 H new ATOM 0 HE3 LYS A 48 -2.131 6.714 -10.268 1.00 33.34 H new ATOM 0 HZ1 LYS A 48 -4.131 7.100 -11.567 1.00 61.33 H new ATOM 0 HZ2 LYS A 48 -2.888 6.480 -12.544 1.00 61.33 H new ATOM 0 HZ3 LYS A 48 -4.163 5.473 -12.050 1.00 61.33 H new ATOM 816 N TYR A 49 -2.967 0.094 -9.211 1.00 62.12 N ATOM 817 CA TYR A 49 -1.906 -0.947 -9.310 1.00 72.21 C ATOM 818 C TYR A 49 -2.454 -2.386 -9.251 1.00 41.23 C ATOM 819 O TYR A 49 -1.949 -3.272 -9.951 1.00 42.23 O ATOM 820 CB TYR A 49 -0.836 -0.736 -8.208 1.00 2.24 C ATOM 821 CG TYR A 49 0.146 0.414 -8.489 1.00 1.04 C ATOM 822 CD1 TYR A 49 -0.265 1.750 -8.464 1.00 52.32 C ATOM 823 CD2 TYR A 49 1.491 0.159 -8.773 1.00 65.25 C ATOM 824 CE1 TYR A 49 0.626 2.776 -8.718 1.00 0.40 C ATOM 825 CE2 TYR A 49 2.380 1.185 -9.027 1.00 22.32 C ATOM 826 CZ TYR A 49 1.948 2.490 -8.996 1.00 61.13 C ATOM 827 OH TYR A 49 2.837 3.510 -9.257 1.00 13.01 O ATOM 0 H TYR A 49 -3.067 0.484 -8.274 1.00 62.12 H new ATOM 0 HA TYR A 49 -1.451 -0.828 -10.293 1.00 72.21 H new ATOM 0 HB2 TYR A 49 -1.340 -0.544 -7.261 1.00 2.24 H new ATOM 0 HB3 TYR A 49 -0.270 -1.660 -8.086 1.00 2.24 H new ATOM 0 HD1 TYR A 49 -1.296 1.984 -8.243 1.00 52.32 H new ATOM 0 HD2 TYR A 49 1.842 -0.862 -8.794 1.00 65.25 H new ATOM 0 HE1 TYR A 49 0.288 3.802 -8.699 1.00 0.40 H new ATOM 0 HE2 TYR A 49 3.413 0.963 -9.250 1.00 22.32 H new ATOM 0 HH TYR A 49 3.510 3.547 -8.546 1.00 13.01 H new ATOM 837 N LEU A 50 -3.474 -2.621 -8.413 1.00 54.01 N ATOM 838 CA LEU A 50 -4.083 -3.971 -8.251 1.00 65.10 C ATOM 839 C LEU A 50 -4.678 -4.526 -9.567 1.00 63.21 C ATOM 840 O LEU A 50 -4.857 -5.733 -9.693 1.00 64.14 O ATOM 841 CB LEU A 50 -5.156 -3.992 -7.132 1.00 1.14 C ATOM 842 CG LEU A 50 -4.623 -4.137 -5.675 1.00 5.21 C ATOM 843 CD1 LEU A 50 -3.831 -2.917 -5.207 1.00 32.41 C ATOM 844 CD2 LEU A 50 -5.763 -4.445 -4.703 1.00 63.11 C ATOM 0 H LEU A 50 -3.902 -1.900 -7.832 1.00 54.01 H new ATOM 0 HA LEU A 50 -3.263 -4.627 -7.959 1.00 65.10 H new ATOM 0 HB2 LEU A 50 -5.736 -3.071 -7.195 1.00 1.14 H new ATOM 0 HB3 LEU A 50 -5.842 -4.815 -7.330 1.00 1.14 H new ATOM 0 HG LEU A 50 -3.930 -4.978 -5.683 1.00 5.21 H new ATOM 0 HD11 LEU A 50 -3.486 -3.077 -4.186 1.00 32.41 H new ATOM 0 HD12 LEU A 50 -2.972 -2.768 -5.861 1.00 32.41 H new ATOM 0 HD13 LEU A 50 -4.469 -2.034 -5.240 1.00 32.41 H new ATOM 0 HD21 LEU A 50 -5.364 -4.541 -3.693 1.00 63.11 H new ATOM 0 HD22 LEU A 50 -6.492 -3.635 -4.729 1.00 63.11 H new ATOM 0 HD23 LEU A 50 -6.246 -5.378 -4.993 1.00 63.11 H new ATOM 856 N LYS A 51 -4.989 -3.626 -10.514 1.00 11.43 N ATOM 857 CA LYS A 51 -5.538 -3.979 -11.844 1.00 62.25 C ATOM 858 C LYS A 51 -4.660 -5.008 -12.608 1.00 44.14 C ATOM 859 O LYS A 51 -5.180 -5.966 -13.196 1.00 42.32 O ATOM 860 CB LYS A 51 -5.698 -2.679 -12.681 1.00 15.52 C ATOM 861 CG LYS A 51 -6.692 -1.621 -12.110 1.00 3.13 C ATOM 862 CD LYS A 51 -8.200 -1.910 -12.387 1.00 50.00 C ATOM 863 CE LYS A 51 -8.818 -3.022 -11.517 1.00 70.20 C ATOM 864 NZ LYS A 51 -10.245 -3.245 -11.847 1.00 64.03 N ATOM 0 H LYS A 51 -4.867 -2.622 -10.382 1.00 11.43 H new ATOM 0 HA LYS A 51 -6.505 -4.458 -11.690 1.00 62.25 H new ATOM 0 HB2 LYS A 51 -4.718 -2.212 -12.782 1.00 15.52 H new ATOM 0 HB3 LYS A 51 -6.025 -2.953 -13.684 1.00 15.52 H new ATOM 0 HG2 LYS A 51 -6.544 -1.551 -11.032 1.00 3.13 H new ATOM 0 HG3 LYS A 51 -6.442 -0.647 -12.530 1.00 3.13 H new ATOM 0 HD2 LYS A 51 -8.765 -0.991 -12.232 1.00 50.00 H new ATOM 0 HD3 LYS A 51 -8.316 -2.183 -13.436 1.00 50.00 H new ATOM 0 HE2 LYS A 51 -8.262 -3.948 -11.661 1.00 70.20 H new ATOM 0 HE3 LYS A 51 -8.725 -2.755 -10.464 1.00 70.20 H new ATOM 0 HZ1 LYS A 51 -10.627 -4.000 -11.242 1.00 64.03 H new ATOM 0 HZ2 LYS A 51 -10.780 -2.368 -11.686 1.00 64.03 H new ATOM 0 HZ3 LYS A 51 -10.331 -3.524 -12.845 1.00 64.03 H new ATOM 878 N LYS A 52 -3.329 -4.806 -12.575 1.00 22.35 N ATOM 879 CA LYS A 52 -2.359 -5.670 -13.301 1.00 43.32 C ATOM 880 C LYS A 52 -1.431 -6.466 -12.346 1.00 52.52 C ATOM 881 O LYS A 52 -0.668 -7.326 -12.810 1.00 13.11 O ATOM 882 CB LYS A 52 -1.511 -4.806 -14.274 1.00 4.44 C ATOM 883 CG LYS A 52 -2.335 -4.040 -15.334 1.00 54.34 C ATOM 884 CD LYS A 52 -1.468 -3.155 -16.266 1.00 43.42 C ATOM 885 CE LYS A 52 -0.661 -2.093 -15.497 1.00 20.03 C ATOM 886 NZ LYS A 52 0.074 -1.172 -16.393 1.00 11.22 N ATOM 0 H LYS A 52 -2.892 -4.048 -12.051 1.00 22.35 H new ATOM 0 HA LYS A 52 -2.938 -6.404 -13.862 1.00 43.32 H new ATOM 0 HB2 LYS A 52 -0.933 -4.088 -13.693 1.00 4.44 H new ATOM 0 HB3 LYS A 52 -0.796 -5.452 -14.784 1.00 4.44 H new ATOM 0 HG2 LYS A 52 -2.891 -4.757 -15.939 1.00 54.34 H new ATOM 0 HG3 LYS A 52 -3.069 -3.412 -14.829 1.00 54.34 H new ATOM 0 HD2 LYS A 52 -0.783 -3.789 -16.828 1.00 43.42 H new ATOM 0 HD3 LYS A 52 -2.112 -2.660 -16.992 1.00 43.42 H new ATOM 0 HE2 LYS A 52 -1.337 -1.516 -14.866 1.00 20.03 H new ATOM 0 HE3 LYS A 52 0.047 -2.591 -14.835 1.00 20.03 H new ATOM 0 HZ1 LYS A 52 0.599 -0.479 -15.823 1.00 11.22 H new ATOM 0 HZ2 LYS A 52 0.740 -1.715 -16.978 1.00 11.22 H new ATOM 0 HZ3 LYS A 52 -0.601 -0.674 -17.008 1.00 11.22 H new ATOM 900 N MET A 53 -1.484 -6.186 -11.021 1.00 63.10 N ATOM 901 CA MET A 53 -0.631 -6.896 -10.032 1.00 23.34 C ATOM 902 C MET A 53 -1.111 -8.350 -9.773 1.00 75.25 C ATOM 903 O MET A 53 -2.310 -8.620 -9.625 1.00 73.42 O ATOM 904 CB MET A 53 -0.497 -6.106 -8.686 1.00 33.52 C ATOM 905 CG MET A 53 0.572 -4.989 -8.703 1.00 23.51 C ATOM 906 SD MET A 53 1.138 -4.479 -7.056 1.00 34.10 S ATOM 907 CE MET A 53 -0.369 -3.934 -6.264 1.00 33.52 C ATOM 0 H MET A 53 -2.100 -5.482 -10.614 1.00 63.10 H new ATOM 0 HA MET A 53 0.361 -6.953 -10.481 1.00 23.34 H new ATOM 0 HB2 MET A 53 -1.463 -5.664 -8.441 1.00 33.52 H new ATOM 0 HB3 MET A 53 -0.257 -6.809 -7.889 1.00 33.52 H new ATOM 0 HG2 MET A 53 1.431 -5.332 -9.280 1.00 23.51 H new ATOM 0 HG3 MET A 53 0.166 -4.120 -9.221 1.00 23.51 H new ATOM 0 HE1 MET A 53 -0.145 -3.116 -5.579 1.00 33.52 H new ATOM 0 HE2 MET A 53 -1.074 -3.590 -7.021 1.00 33.52 H new ATOM 0 HE3 MET A 53 -0.808 -4.763 -5.708 1.00 33.52 H new ATOM 917 N ASN A 54 -0.125 -9.264 -9.714 1.00 21.11 N ATOM 918 CA ASN A 54 -0.333 -10.712 -9.475 1.00 21.23 C ATOM 919 C ASN A 54 -0.640 -11.014 -7.983 1.00 65.44 C ATOM 920 O ASN A 54 -0.527 -10.137 -7.124 1.00 22.11 O ATOM 921 CB ASN A 54 0.933 -11.508 -9.947 1.00 65.42 C ATOM 922 CG ASN A 54 0.713 -12.335 -11.217 1.00 72.14 C ATOM 923 OD1 ASN A 54 0.864 -11.846 -12.331 1.00 21.11 O ATOM 924 ND2 ASN A 54 0.364 -13.595 -11.049 1.00 61.11 N ATOM 0 H ASN A 54 0.857 -9.017 -9.833 1.00 21.11 H new ATOM 0 HA ASN A 54 -1.201 -11.030 -10.052 1.00 21.23 H new ATOM 0 HB2 ASN A 54 1.747 -10.805 -10.121 1.00 65.42 H new ATOM 0 HB3 ASN A 54 1.252 -12.173 -9.144 1.00 65.42 H new ATOM 0 HD21 ASN A 54 0.211 -14.194 -11.860 1.00 61.11 H new ATOM 0 HD22 ASN A 54 0.247 -13.971 -10.108 1.00 61.11 H new ATOM 931 N GLU A 55 -0.982 -12.291 -7.711 1.00 10.05 N ATOM 932 CA GLU A 55 -1.275 -12.827 -6.349 1.00 72.53 C ATOM 933 C GLU A 55 -0.155 -12.474 -5.334 1.00 3.41 C ATOM 934 O GLU A 55 -0.432 -12.046 -4.209 1.00 13.50 O ATOM 935 CB GLU A 55 -1.431 -14.379 -6.406 1.00 5.24 C ATOM 936 CG GLU A 55 -2.655 -14.929 -7.185 1.00 13.10 C ATOM 937 CD GLU A 55 -2.715 -14.571 -8.684 1.00 65.52 C ATOM 938 OE1 GLU A 55 -1.712 -14.792 -9.392 1.00 63.04 O ATOM 939 OE2 GLU A 55 -3.755 -14.062 -9.156 1.00 21.52 O ATOM 0 H GLU A 55 -1.066 -12.999 -8.441 1.00 10.05 H new ATOM 0 HA GLU A 55 -2.203 -12.364 -6.014 1.00 72.53 H new ATOM 0 HB2 GLU A 55 -0.528 -14.795 -6.853 1.00 5.24 H new ATOM 0 HB3 GLU A 55 -1.482 -14.753 -5.384 1.00 5.24 H new ATOM 0 HG2 GLU A 55 -2.664 -16.015 -7.090 1.00 13.10 H new ATOM 0 HG3 GLU A 55 -3.562 -14.560 -6.706 1.00 13.10 H new ATOM 946 N GLU A 56 1.103 -12.640 -5.788 1.00 75.41 N ATOM 947 CA GLU A 56 2.314 -12.438 -4.959 1.00 22.44 C ATOM 948 C GLU A 56 2.523 -10.945 -4.601 1.00 3.31 C ATOM 949 O GLU A 56 2.968 -10.613 -3.497 1.00 52.30 O ATOM 950 CB GLU A 56 3.555 -13.005 -5.692 1.00 4.22 C ATOM 951 CG GLU A 56 3.402 -14.463 -6.188 1.00 14.20 C ATOM 952 CD GLU A 56 4.737 -15.099 -6.625 1.00 74.42 C ATOM 953 OE1 GLU A 56 5.569 -15.403 -5.746 1.00 53.54 O ATOM 954 OE2 GLU A 56 4.965 -15.300 -7.837 1.00 34.10 O ATOM 0 H GLU A 56 1.312 -12.920 -6.746 1.00 75.41 H new ATOM 0 HA GLU A 56 2.175 -12.977 -4.022 1.00 22.44 H new ATOM 0 HB2 GLU A 56 3.779 -12.366 -6.546 1.00 4.22 H new ATOM 0 HB3 GLU A 56 4.412 -12.952 -5.021 1.00 4.22 H new ATOM 0 HG2 GLU A 56 2.963 -15.066 -5.393 1.00 14.20 H new ATOM 0 HG3 GLU A 56 2.706 -14.484 -7.026 1.00 14.20 H new ATOM 961 N GLU A 57 2.199 -10.064 -5.555 1.00 20.32 N ATOM 962 CA GLU A 57 2.244 -8.597 -5.353 1.00 13.25 C ATOM 963 C GLU A 57 1.169 -8.157 -4.327 1.00 20.31 C ATOM 964 O GLU A 57 1.435 -7.380 -3.406 1.00 12.04 O ATOM 965 CB GLU A 57 1.996 -7.858 -6.693 1.00 43.22 C ATOM 966 CG GLU A 57 2.798 -8.372 -7.904 1.00 14.52 C ATOM 967 CD GLU A 57 4.315 -8.343 -7.695 1.00 2.40 C ATOM 968 OE1 GLU A 57 4.863 -7.247 -7.478 1.00 12.30 O ATOM 969 OE2 GLU A 57 4.965 -9.407 -7.787 1.00 14.45 O ATOM 0 H GLU A 57 1.898 -10.340 -6.490 1.00 20.32 H new ATOM 0 HA GLU A 57 3.233 -8.340 -4.974 1.00 13.25 H new ATOM 0 HB2 GLU A 57 0.934 -7.924 -6.931 1.00 43.22 H new ATOM 0 HB3 GLU A 57 2.226 -6.802 -6.551 1.00 43.22 H new ATOM 0 HG2 GLU A 57 2.490 -9.394 -8.125 1.00 14.52 H new ATOM 0 HG3 GLU A 57 2.549 -7.768 -8.776 1.00 14.52 H new ATOM 976 N LEU A 58 -0.064 -8.655 -4.559 1.00 15.21 N ATOM 977 CA LEU A 58 -1.249 -8.414 -3.695 1.00 13.03 C ATOM 978 C LEU A 58 -1.055 -8.827 -2.212 1.00 51.53 C ATOM 979 O LEU A 58 -1.519 -8.128 -1.309 1.00 24.25 O ATOM 980 CB LEU A 58 -2.511 -9.134 -4.267 1.00 43.10 C ATOM 981 CG LEU A 58 -3.004 -8.685 -5.688 1.00 31.15 C ATOM 982 CD1 LEU A 58 -4.493 -9.030 -5.899 1.00 43.22 C ATOM 983 CD2 LEU A 58 -2.739 -7.193 -5.956 1.00 55.32 C ATOM 0 H LEU A 58 -0.272 -9.246 -5.364 1.00 15.21 H new ATOM 0 HA LEU A 58 -1.388 -7.333 -3.705 1.00 13.03 H new ATOM 0 HB2 LEU A 58 -2.304 -10.204 -4.302 1.00 43.10 H new ATOM 0 HB3 LEU A 58 -3.331 -8.991 -3.563 1.00 43.10 H new ATOM 0 HG LEU A 58 -2.418 -9.248 -6.415 1.00 31.15 H new ATOM 0 HD11 LEU A 58 -4.804 -8.706 -6.892 1.00 43.22 H new ATOM 0 HD12 LEU A 58 -4.633 -10.107 -5.808 1.00 43.22 H new ATOM 0 HD13 LEU A 58 -5.095 -8.521 -5.146 1.00 43.22 H new ATOM 0 HD21 LEU A 58 -3.098 -6.933 -6.952 1.00 55.32 H new ATOM 0 HD22 LEU A 58 -3.262 -6.591 -5.213 1.00 55.32 H new ATOM 0 HD23 LEU A 58 -1.669 -6.997 -5.894 1.00 55.32 H new ATOM 995 N GLU A 59 -0.414 -9.979 -1.964 1.00 2.01 N ATOM 996 CA GLU A 59 -0.179 -10.472 -0.584 1.00 72.32 C ATOM 997 C GLU A 59 0.966 -9.702 0.117 1.00 5.21 C ATOM 998 O GLU A 59 0.974 -9.583 1.346 1.00 2.11 O ATOM 999 CB GLU A 59 0.066 -11.998 -0.588 1.00 2.11 C ATOM 1000 CG GLU A 59 1.319 -12.464 -1.344 1.00 1.33 C ATOM 1001 CD GLU A 59 1.375 -13.987 -1.513 1.00 11.42 C ATOM 1002 OE1 GLU A 59 0.774 -14.506 -2.482 1.00 3.14 O ATOM 1003 OE2 GLU A 59 1.975 -14.674 -0.659 1.00 63.02 O ATOM 0 H GLU A 59 -0.047 -10.590 -2.694 1.00 2.01 H new ATOM 0 HA GLU A 59 -1.079 -10.280 -0.001 1.00 72.32 H new ATOM 0 HB2 GLU A 59 0.138 -12.340 0.445 1.00 2.11 H new ATOM 0 HB3 GLU A 59 -0.804 -12.487 -1.026 1.00 2.11 H new ATOM 0 HG2 GLU A 59 1.342 -11.992 -2.326 1.00 1.33 H new ATOM 0 HG3 GLU A 59 2.207 -12.129 -0.808 1.00 1.33 H new ATOM 1010 N GLU A 60 1.930 -9.182 -0.677 1.00 32.23 N ATOM 1011 CA GLU A 60 2.955 -8.235 -0.170 1.00 32.13 C ATOM 1012 C GLU A 60 2.274 -6.892 0.216 1.00 25.02 C ATOM 1013 O GLU A 60 2.615 -6.265 1.229 1.00 73.02 O ATOM 1014 CB GLU A 60 4.081 -8.024 -1.231 1.00 62.11 C ATOM 1015 CG GLU A 60 5.246 -7.105 -0.770 1.00 40.32 C ATOM 1016 CD GLU A 60 6.435 -6.998 -1.763 1.00 21.44 C ATOM 1017 OE1 GLU A 60 6.202 -6.902 -2.988 1.00 14.14 O ATOM 1018 OE2 GLU A 60 7.608 -6.964 -1.312 1.00 42.24 O ATOM 0 H GLU A 60 2.021 -9.400 -1.669 1.00 32.23 H new ATOM 0 HA GLU A 60 3.425 -8.652 0.721 1.00 32.13 H new ATOM 0 HB2 GLU A 60 4.490 -8.997 -1.504 1.00 62.11 H new ATOM 0 HB3 GLU A 60 3.637 -7.600 -2.132 1.00 62.11 H new ATOM 0 HG2 GLU A 60 4.850 -6.105 -0.592 1.00 40.32 H new ATOM 0 HG3 GLU A 60 5.622 -7.473 0.184 1.00 40.32 H new ATOM 1025 N TYR A 61 1.277 -6.484 -0.603 1.00 23.52 N ATOM 1026 CA TYR A 61 0.452 -5.283 -0.352 1.00 50.22 C ATOM 1027 C TYR A 61 -0.456 -5.455 0.888 1.00 13.00 C ATOM 1028 O TYR A 61 -0.702 -4.494 1.613 1.00 71.20 O ATOM 1029 CB TYR A 61 -0.386 -4.925 -1.608 1.00 64.41 C ATOM 1030 CG TYR A 61 -1.117 -3.573 -1.514 1.00 1.15 C ATOM 1031 CD1 TYR A 61 -0.405 -2.401 -1.238 1.00 44.33 C ATOM 1032 CD2 TYR A 61 -2.499 -3.459 -1.696 1.00 71.24 C ATOM 1033 CE1 TYR A 61 -1.035 -1.181 -1.144 1.00 40.33 C ATOM 1034 CE2 TYR A 61 -3.134 -2.230 -1.606 1.00 40.44 C ATOM 1035 CZ TYR A 61 -2.395 -1.095 -1.333 1.00 25.31 C ATOM 1036 OH TYR A 61 -3.017 0.129 -1.254 1.00 41.02 O ATOM 0 H TYR A 61 1.023 -6.980 -1.457 1.00 23.52 H new ATOM 0 HA TYR A 61 1.131 -4.457 -0.140 1.00 50.22 H new ATOM 0 HB2 TYR A 61 0.271 -4.910 -2.478 1.00 64.41 H new ATOM 0 HB3 TYR A 61 -1.121 -5.712 -1.777 1.00 64.41 H new ATOM 0 HD1 TYR A 61 0.664 -2.455 -1.095 1.00 44.33 H new ATOM 0 HD2 TYR A 61 -3.081 -4.343 -1.910 1.00 71.24 H new ATOM 0 HE1 TYR A 61 -0.463 -0.292 -0.922 1.00 40.33 H new ATOM 0 HE2 TYR A 61 -4.202 -2.160 -1.749 1.00 40.44 H new ATOM 0 HH TYR A 61 -3.893 0.024 -0.827 1.00 41.02 H new ATOM 1046 N ASP A 62 -0.936 -6.691 1.117 1.00 24.40 N ATOM 1047 CA ASP A 62 -1.747 -7.044 2.306 1.00 24.41 C ATOM 1048 C ASP A 62 -0.947 -6.734 3.594 1.00 2.50 C ATOM 1049 O ASP A 62 -1.445 -6.072 4.506 1.00 33.20 O ATOM 1050 CB ASP A 62 -2.144 -8.546 2.237 1.00 21.42 C ATOM 1051 CG ASP A 62 -3.249 -8.946 3.241 1.00 74.41 C ATOM 1052 OD1 ASP A 62 -2.945 -9.104 4.441 1.00 23.13 O ATOM 1053 OD2 ASP A 62 -4.429 -9.126 2.817 1.00 50.11 O ATOM 0 H ASP A 62 -0.775 -7.476 0.486 1.00 24.40 H new ATOM 0 HA ASP A 62 -2.660 -6.449 2.322 1.00 24.41 H new ATOM 0 HB2 ASP A 62 -2.483 -8.777 1.227 1.00 21.42 H new ATOM 0 HB3 ASP A 62 -1.259 -9.155 2.423 1.00 21.42 H new ATOM 1058 N SER A 63 0.320 -7.192 3.610 1.00 5.40 N ATOM 1059 CA SER A 63 1.275 -6.940 4.716 1.00 31.11 C ATOM 1060 C SER A 63 1.489 -5.429 4.976 1.00 4.10 C ATOM 1061 O SER A 63 1.629 -5.015 6.129 1.00 54.43 O ATOM 1062 CB SER A 63 2.624 -7.629 4.413 1.00 52.10 C ATOM 1063 OG SER A 63 2.453 -9.027 4.227 1.00 12.11 O ATOM 0 H SER A 63 0.715 -7.751 2.854 1.00 5.40 H new ATOM 0 HA SER A 63 0.844 -7.362 5.624 1.00 31.11 H new ATOM 0 HB2 SER A 63 3.067 -7.191 3.518 1.00 52.10 H new ATOM 0 HB3 SER A 63 3.320 -7.450 5.233 1.00 52.10 H new ATOM 0 HG SER A 63 2.025 -9.192 3.361 1.00 12.11 H new ATOM 1069 N LEU A 64 1.500 -4.617 3.892 1.00 23.05 N ATOM 1070 CA LEU A 64 1.618 -3.138 3.980 1.00 32.25 C ATOM 1071 C LEU A 64 0.359 -2.507 4.634 1.00 30.42 C ATOM 1072 O LEU A 64 0.447 -1.524 5.367 1.00 1.31 O ATOM 1073 CB LEU A 64 1.842 -2.527 2.570 1.00 54.31 C ATOM 1074 CG LEU A 64 2.126 -0.989 2.525 1.00 74.13 C ATOM 1075 CD1 LEU A 64 3.479 -0.645 3.192 1.00 64.13 C ATOM 1076 CD2 LEU A 64 2.047 -0.435 1.082 1.00 42.41 C ATOM 0 H LEU A 64 1.428 -4.965 2.936 1.00 23.05 H new ATOM 0 HA LEU A 64 2.479 -2.913 4.610 1.00 32.25 H new ATOM 0 HB2 LEU A 64 2.679 -3.045 2.101 1.00 54.31 H new ATOM 0 HB3 LEU A 64 0.960 -2.731 1.963 1.00 54.31 H new ATOM 0 HG LEU A 64 1.342 -0.497 3.102 1.00 74.13 H new ATOM 0 HD11 LEU A 64 3.645 0.431 3.143 1.00 64.13 H new ATOM 0 HD12 LEU A 64 3.462 -0.963 4.234 1.00 64.13 H new ATOM 0 HD13 LEU A 64 4.284 -1.161 2.669 1.00 64.13 H new ATOM 0 HD21 LEU A 64 2.250 0.636 1.092 1.00 42.41 H new ATOM 0 HD22 LEU A 64 2.785 -0.939 0.458 1.00 42.41 H new ATOM 0 HD23 LEU A 64 1.050 -0.612 0.679 1.00 42.41 H new ATOM 1088 N LEU A 65 -0.813 -3.092 4.352 1.00 50.30 N ATOM 1089 CA LEU A 65 -2.105 -2.651 4.928 1.00 25.23 C ATOM 1090 C LEU A 65 -2.257 -3.072 6.414 1.00 45.43 C ATOM 1091 O LEU A 65 -3.114 -2.539 7.128 1.00 54.40 O ATOM 1092 CB LEU A 65 -3.256 -3.211 4.066 1.00 2.31 C ATOM 1093 CG LEU A 65 -3.225 -2.768 2.569 1.00 52.43 C ATOM 1094 CD1 LEU A 65 -4.244 -3.545 1.734 1.00 53.11 C ATOM 1095 CD2 LEU A 65 -3.433 -1.246 2.423 1.00 71.33 C ATOM 0 H LEU A 65 -0.899 -3.886 3.718 1.00 50.30 H new ATOM 0 HA LEU A 65 -2.138 -1.562 4.916 1.00 25.23 H new ATOM 0 HB2 LEU A 65 -3.228 -4.300 4.109 1.00 2.31 H new ATOM 0 HB3 LEU A 65 -4.204 -2.899 4.504 1.00 2.31 H new ATOM 0 HG LEU A 65 -2.233 -3.003 2.184 1.00 52.43 H new ATOM 0 HD11 LEU A 65 -4.195 -3.211 0.697 1.00 53.11 H new ATOM 0 HD12 LEU A 65 -4.018 -4.610 1.783 1.00 53.11 H new ATOM 0 HD13 LEU A 65 -5.246 -3.368 2.125 1.00 53.11 H new ATOM 0 HD21 LEU A 65 -3.405 -0.975 1.368 1.00 71.33 H new ATOM 0 HD22 LEU A 65 -4.400 -0.969 2.844 1.00 71.33 H new ATOM 0 HD23 LEU A 65 -2.641 -0.718 2.954 1.00 71.33 H new ATOM 1107 N ASN A 66 -1.420 -4.027 6.869 1.00 70.44 N ATOM 1108 CA ASN A 66 -1.305 -4.387 8.305 1.00 73.30 C ATOM 1109 C ASN A 66 -0.211 -3.542 9.027 1.00 61.32 C ATOM 1110 O ASN A 66 0.041 -3.746 10.222 1.00 73.30 O ATOM 1111 CB ASN A 66 -1.018 -5.908 8.476 1.00 0.12 C ATOM 1112 CG ASN A 66 -2.176 -6.797 8.005 1.00 23.23 C ATOM 1113 OD1 ASN A 66 -3.139 -7.009 8.730 1.00 11.01 O ATOM 1114 ND2 ASN A 66 -2.076 -7.352 6.817 1.00 63.03 N ATOM 0 H ASN A 66 -0.807 -4.569 6.260 1.00 70.44 H new ATOM 0 HA ASN A 66 -2.263 -4.159 8.772 1.00 73.30 H new ATOM 0 HB2 ASN A 66 -0.119 -6.167 7.917 1.00 0.12 H new ATOM 0 HB3 ASN A 66 -0.812 -6.117 9.526 1.00 0.12 H new ATOM 0 HD21 ASN A 66 -2.811 -7.975 6.481 1.00 63.03 H new ATOM 0 HD22 ASN A 66 -1.264 -7.160 6.231 1.00 63.03 H new ATOM 1121 N GLU A 67 0.441 -2.599 8.306 1.00 23.34 N ATOM 1122 CA GLU A 67 1.445 -1.675 8.907 1.00 72.13 C ATOM 1123 C GLU A 67 0.790 -0.407 9.505 1.00 1.21 C ATOM 1124 O GLU A 67 -0.405 -0.136 9.303 1.00 30.00 O ATOM 1125 CB GLU A 67 2.514 -1.256 7.852 1.00 3.25 C ATOM 1126 CG GLU A 67 3.309 -2.418 7.230 1.00 0.12 C ATOM 1127 CD GLU A 67 4.047 -3.284 8.260 1.00 54.32 C ATOM 1128 OE1 GLU A 67 5.134 -2.877 8.730 1.00 63.21 O ATOM 1129 OE2 GLU A 67 3.560 -4.382 8.601 1.00 4.22 O ATOM 0 H GLU A 67 0.293 -2.454 7.307 1.00 23.34 H new ATOM 0 HA GLU A 67 1.926 -2.223 9.718 1.00 72.13 H new ATOM 0 HB2 GLU A 67 2.017 -0.707 7.052 1.00 3.25 H new ATOM 0 HB3 GLU A 67 3.216 -0.567 8.323 1.00 3.25 H new ATOM 0 HG2 GLU A 67 2.627 -3.049 6.661 1.00 0.12 H new ATOM 0 HG3 GLU A 67 4.034 -2.013 6.523 1.00 0.12 H new ATOM 1136 N LEU A 68 1.615 0.376 10.225 1.00 62.54 N ATOM 1137 CA LEU A 68 1.208 1.656 10.839 1.00 74.15 C ATOM 1138 C LEU A 68 1.037 2.747 9.756 1.00 43.12 C ATOM 1139 O LEU A 68 1.981 3.040 9.021 1.00 24.44 O ATOM 1140 CB LEU A 68 2.273 2.086 11.874 1.00 45.31 C ATOM 1141 CG LEU A 68 2.570 1.059 13.013 1.00 3.34 C ATOM 1142 CD1 LEU A 68 3.759 1.520 13.881 1.00 63.23 C ATOM 1143 CD2 LEU A 68 1.312 0.803 13.874 1.00 65.33 C ATOM 0 H LEU A 68 2.591 0.137 10.399 1.00 62.54 H new ATOM 0 HA LEU A 68 0.249 1.525 11.340 1.00 74.15 H new ATOM 0 HB2 LEU A 68 3.204 2.292 11.345 1.00 45.31 H new ATOM 0 HB3 LEU A 68 1.951 3.022 12.330 1.00 45.31 H new ATOM 0 HG LEU A 68 2.849 0.114 12.546 1.00 3.34 H new ATOM 0 HD11 LEU A 68 3.943 0.786 14.666 1.00 63.23 H new ATOM 0 HD12 LEU A 68 4.648 1.616 13.258 1.00 63.23 H new ATOM 0 HD13 LEU A 68 3.527 2.484 14.333 1.00 63.23 H new ATOM 0 HD21 LEU A 68 1.548 0.084 14.659 1.00 65.33 H new ATOM 0 HD22 LEU A 68 0.984 1.739 14.326 1.00 65.33 H new ATOM 0 HD23 LEU A 68 0.516 0.405 13.245 1.00 65.33 H new ATOM 1155 N ASP A 69 -0.178 3.321 9.681 1.00 61.44 N ATOM 1156 CA ASP A 69 -0.578 4.305 8.638 1.00 14.14 C ATOM 1157 C ASP A 69 0.459 5.450 8.392 1.00 74.52 C ATOM 1158 O ASP A 69 0.929 5.599 7.258 1.00 33.14 O ATOM 1159 CB ASP A 69 -2.010 4.869 8.929 1.00 12.15 C ATOM 1160 CG ASP A 69 -2.339 5.020 10.422 1.00 44.44 C ATOM 1161 OD1 ASP A 69 -1.570 5.678 11.152 1.00 64.43 O ATOM 1162 OD2 ASP A 69 -3.355 4.460 10.874 1.00 70.44 O ATOM 0 H ASP A 69 -0.923 3.117 10.347 1.00 61.44 H new ATOM 0 HA ASP A 69 -0.600 3.750 7.700 1.00 14.14 H new ATOM 0 HB2 ASP A 69 -2.110 5.842 8.447 1.00 12.15 H new ATOM 0 HB3 ASP A 69 -2.747 4.209 8.471 1.00 12.15 H new ATOM 1167 N TRP A 70 0.826 6.240 9.432 1.00 4.23 N ATOM 1168 CA TRP A 70 1.821 7.340 9.276 1.00 1.23 C ATOM 1169 C TRP A 70 3.158 6.842 8.675 1.00 13.21 C ATOM 1170 O TRP A 70 3.693 7.462 7.748 1.00 40.14 O ATOM 1171 CB TRP A 70 2.091 8.091 10.620 1.00 71.22 C ATOM 1172 CG TRP A 70 1.532 9.499 10.703 1.00 24.31 C ATOM 1173 CD1 TRP A 70 0.978 10.074 11.805 1.00 21.22 C ATOM 1174 CD2 TRP A 70 1.479 10.508 9.659 1.00 22.13 C ATOM 1175 NE1 TRP A 70 0.581 11.355 11.528 1.00 34.15 N ATOM 1176 CE2 TRP A 70 0.875 11.644 10.223 1.00 73.32 C ATOM 1177 CE3 TRP A 70 1.873 10.564 8.306 1.00 53.44 C ATOM 1178 CZ2 TRP A 70 0.660 12.814 9.501 1.00 15.25 C ATOM 1179 CZ3 TRP A 70 1.655 11.726 7.593 1.00 74.43 C ATOM 1180 CH2 TRP A 70 1.053 12.835 8.190 1.00 21.35 C ATOM 0 H TRP A 70 0.456 6.141 10.377 1.00 4.23 H new ATOM 0 HA TRP A 70 1.372 8.044 8.575 1.00 1.23 H new ATOM 0 HB2 TRP A 70 1.671 7.503 11.436 1.00 71.22 H new ATOM 0 HB3 TRP A 70 3.168 8.136 10.781 1.00 71.22 H new ATOM 0 HD1 TRP A 70 0.867 9.588 12.763 1.00 21.22 H new ATOM 0 HE1 TRP A 70 0.137 11.992 12.189 1.00 34.15 H new ATOM 0 HE3 TRP A 70 2.338 9.711 7.835 1.00 53.44 H new ATOM 0 HZ2 TRP A 70 0.199 13.676 9.959 1.00 15.25 H new ATOM 0 HZ3 TRP A 70 1.955 11.778 6.557 1.00 74.43 H new ATOM 0 HH2 TRP A 70 0.894 13.729 7.605 1.00 21.35 H new ATOM 1191 N ASP A 71 3.652 5.707 9.197 1.00 10.42 N ATOM 1192 CA ASP A 71 4.946 5.118 8.789 1.00 60.15 C ATOM 1193 C ASP A 71 4.959 4.770 7.282 1.00 42.41 C ATOM 1194 O ASP A 71 5.940 5.039 6.596 1.00 24.42 O ATOM 1195 CB ASP A 71 5.247 3.873 9.659 1.00 72.51 C ATOM 1196 CG ASP A 71 5.447 4.231 11.144 1.00 44.03 C ATOM 1197 OD1 ASP A 71 4.456 4.583 11.825 1.00 43.42 O ATOM 1198 OD2 ASP A 71 6.595 4.189 11.634 1.00 73.01 O ATOM 0 H ASP A 71 3.167 5.168 9.915 1.00 10.42 H new ATOM 0 HA ASP A 71 5.732 5.856 8.949 1.00 60.15 H new ATOM 0 HB2 ASP A 71 4.427 3.161 9.567 1.00 72.51 H new ATOM 0 HB3 ASP A 71 6.142 3.378 9.283 1.00 72.51 H new ATOM 1203 N ILE A 72 3.831 4.215 6.783 1.00 51.14 N ATOM 1204 CA ILE A 72 3.626 3.907 5.338 1.00 5.51 C ATOM 1205 C ILE A 72 3.849 5.160 4.452 1.00 3.32 C ATOM 1206 O ILE A 72 4.498 5.079 3.407 1.00 44.01 O ATOM 1207 CB ILE A 72 2.172 3.351 5.076 1.00 42.44 C ATOM 1208 CG1 ILE A 72 1.894 2.078 5.933 1.00 63.51 C ATOM 1209 CG2 ILE A 72 1.920 3.067 3.567 1.00 74.31 C ATOM 1210 CD1 ILE A 72 0.450 1.600 5.909 1.00 15.51 C ATOM 0 H ILE A 72 3.033 3.966 7.367 1.00 51.14 H new ATOM 0 HA ILE A 72 4.361 3.147 5.072 1.00 5.51 H new ATOM 0 HB ILE A 72 1.473 4.129 5.382 1.00 42.44 H new ATOM 0 HG12 ILE A 72 2.536 1.271 5.579 1.00 63.51 H new ATOM 0 HG13 ILE A 72 2.178 2.282 6.965 1.00 63.51 H new ATOM 0 HG21 ILE A 72 0.908 2.686 3.433 1.00 74.31 H new ATOM 0 HG22 ILE A 72 2.039 3.989 2.998 1.00 74.31 H new ATOM 0 HG23 ILE A 72 2.637 2.326 3.212 1.00 74.31 H new ATOM 0 HD11 ILE A 72 0.351 0.711 6.532 1.00 15.51 H new ATOM 0 HD12 ILE A 72 -0.200 2.386 6.293 1.00 15.51 H new ATOM 0 HD13 ILE A 72 0.163 1.360 4.885 1.00 15.51 H new ATOM 1222 N TYR A 73 3.307 6.311 4.895 1.00 52.05 N ATOM 1223 CA TYR A 73 3.408 7.588 4.153 1.00 14.21 C ATOM 1224 C TYR A 73 4.866 8.118 4.129 1.00 50.14 C ATOM 1225 O TYR A 73 5.323 8.652 3.117 1.00 14.44 O ATOM 1226 CB TYR A 73 2.452 8.641 4.771 1.00 55.52 C ATOM 1227 CG TYR A 73 2.329 9.941 3.956 1.00 42.33 C ATOM 1228 CD1 TYR A 73 1.495 10.008 2.835 1.00 23.55 C ATOM 1229 CD2 TYR A 73 3.054 11.093 4.293 1.00 43.51 C ATOM 1230 CE1 TYR A 73 1.385 11.168 2.089 1.00 54.44 C ATOM 1231 CE2 TYR A 73 2.946 12.253 3.549 1.00 43.43 C ATOM 1232 CZ TYR A 73 2.113 12.285 2.450 1.00 50.04 C ATOM 1233 OH TYR A 73 2.001 13.443 1.709 1.00 65.13 O ATOM 0 H TYR A 73 2.790 6.385 5.771 1.00 52.05 H new ATOM 0 HA TYR A 73 3.110 7.404 3.121 1.00 14.21 H new ATOM 0 HB2 TYR A 73 1.462 8.198 4.877 1.00 55.52 H new ATOM 0 HB3 TYR A 73 2.801 8.887 5.774 1.00 55.52 H new ATOM 0 HD1 TYR A 73 0.926 9.137 2.546 1.00 23.55 H new ATOM 0 HD2 TYR A 73 3.710 11.074 5.151 1.00 43.51 H new ATOM 0 HE1 TYR A 73 0.733 11.200 1.229 1.00 54.44 H new ATOM 0 HE2 TYR A 73 3.511 13.130 3.827 1.00 43.43 H new ATOM 0 HH TYR A 73 1.137 13.867 1.893 1.00 65.13 H new ATOM 1243 N TYR A 74 5.583 7.955 5.258 1.00 63.33 N ATOM 1244 CA TYR A 74 6.994 8.402 5.391 1.00 3.10 C ATOM 1245 C TYR A 74 7.966 7.502 4.589 1.00 51.01 C ATOM 1246 O TYR A 74 9.038 7.957 4.172 1.00 41.22 O ATOM 1247 CB TYR A 74 7.410 8.446 6.879 1.00 12.40 C ATOM 1248 CG TYR A 74 6.651 9.484 7.731 1.00 64.43 C ATOM 1249 CD1 TYR A 74 6.629 10.832 7.368 1.00 65.45 C ATOM 1250 CD2 TYR A 74 5.979 9.125 8.902 1.00 3.53 C ATOM 1251 CE1 TYR A 74 5.970 11.774 8.133 1.00 52.45 C ATOM 1252 CE2 TYR A 74 5.315 10.063 9.668 1.00 64.34 C ATOM 1253 CZ TYR A 74 5.311 11.387 9.282 1.00 43.33 C ATOM 1254 OH TYR A 74 4.645 12.327 10.044 1.00 34.42 O ATOM 0 H TYR A 74 5.210 7.515 6.099 1.00 63.33 H new ATOM 0 HA TYR A 74 7.056 9.407 4.973 1.00 3.10 H new ATOM 0 HB2 TYR A 74 7.258 7.458 7.314 1.00 12.40 H new ATOM 0 HB3 TYR A 74 8.477 8.659 6.937 1.00 12.40 H new ATOM 0 HD1 TYR A 74 7.139 11.145 6.469 1.00 65.45 H new ATOM 0 HD2 TYR A 74 5.979 8.091 9.215 1.00 3.53 H new ATOM 0 HE1 TYR A 74 5.970 12.811 7.833 1.00 52.45 H new ATOM 0 HE2 TYR A 74 4.800 9.760 10.568 1.00 64.34 H new ATOM 0 HH TYR A 74 4.234 11.889 10.818 1.00 34.42 H new ATOM 1264 N TRP A 75 7.585 6.222 4.401 1.00 24.52 N ATOM 1265 CA TRP A 75 8.342 5.267 3.558 1.00 54.22 C ATOM 1266 C TRP A 75 8.047 5.498 2.060 1.00 22.34 C ATOM 1267 O TRP A 75 8.923 5.325 1.210 1.00 65.34 O ATOM 1268 CB TRP A 75 8.005 3.801 3.935 1.00 23.23 C ATOM 1269 CG TRP A 75 8.280 3.414 5.370 1.00 61.00 C ATOM 1270 CD1 TRP A 75 9.216 3.944 6.223 1.00 35.12 C ATOM 1271 CD2 TRP A 75 7.613 2.379 6.106 1.00 74.53 C ATOM 1272 NE1 TRP A 75 9.149 3.319 7.440 1.00 73.40 N ATOM 1273 CE2 TRP A 75 8.175 2.355 7.394 1.00 24.50 C ATOM 1274 CE3 TRP A 75 6.586 1.481 5.797 1.00 21.00 C ATOM 1275 CZ2 TRP A 75 7.748 1.461 8.372 1.00 42.44 C ATOM 1276 CZ3 TRP A 75 6.162 0.598 6.768 1.00 43.42 C ATOM 1277 CH2 TRP A 75 6.743 0.592 8.043 1.00 41.41 C ATOM 0 H TRP A 75 6.749 5.820 4.826 1.00 24.52 H new ATOM 0 HA TRP A 75 9.402 5.441 3.740 1.00 54.22 H new ATOM 0 HB2 TRP A 75 6.950 3.625 3.726 1.00 23.23 H new ATOM 0 HB3 TRP A 75 8.574 3.138 3.284 1.00 23.23 H new ATOM 0 HD1 TRP A 75 9.904 4.737 5.971 1.00 35.12 H new ATOM 0 HE1 TRP A 75 9.730 3.536 8.250 1.00 73.40 H new ATOM 0 HE3 TRP A 75 6.133 1.479 4.816 1.00 21.00 H new ATOM 0 HZ2 TRP A 75 8.194 1.453 9.356 1.00 42.44 H new ATOM 0 HZ3 TRP A 75 5.369 -0.100 6.542 1.00 43.42 H new ATOM 0 HH2 TRP A 75 6.391 -0.113 8.781 1.00 41.41 H new ATOM 1288 N ALA A 76 6.783 5.854 1.758 1.00 50.34 N ATOM 1289 CA ALA A 76 6.336 6.219 0.393 1.00 2.40 C ATOM 1290 C ALA A 76 7.051 7.486 -0.120 1.00 44.34 C ATOM 1291 O ALA A 76 7.317 7.637 -1.314 1.00 21.11 O ATOM 1292 CB ALA A 76 4.823 6.433 0.398 1.00 44.50 C ATOM 0 H ALA A 76 6.039 5.898 2.454 1.00 50.34 H new ATOM 0 HA ALA A 76 6.593 5.403 -0.282 1.00 2.40 H new ATOM 0 HB1 ALA A 76 4.490 6.702 -0.605 1.00 44.50 H new ATOM 0 HB2 ALA A 76 4.327 5.514 0.711 1.00 44.50 H new ATOM 0 HB3 ALA A 76 4.571 7.236 1.091 1.00 44.50 H new ATOM 1298 N THR A 77 7.319 8.407 0.808 1.00 74.42 N ATOM 1299 CA THR A 77 8.131 9.608 0.550 1.00 41.12 C ATOM 1300 C THR A 77 9.589 9.365 1.009 1.00 51.00 C ATOM 1301 O THR A 77 9.968 8.242 1.359 1.00 71.14 O ATOM 1302 CB THR A 77 7.528 10.853 1.291 1.00 44.22 C ATOM 1303 OG1 THR A 77 7.577 10.651 2.714 1.00 40.13 O ATOM 1304 CG2 THR A 77 6.070 11.128 0.865 1.00 33.34 C ATOM 0 H THR A 77 6.978 8.344 1.767 1.00 74.42 H new ATOM 0 HA THR A 77 8.124 9.811 -0.521 1.00 41.12 H new ATOM 0 HB THR A 77 8.131 11.718 1.015 1.00 44.22 H new ATOM 0 HG1 THR A 77 7.777 11.501 3.158 1.00 40.13 H new ATOM 0 HG21 THR A 77 5.692 11.998 1.402 1.00 33.34 H new ATOM 0 HG22 THR A 77 6.034 11.320 -0.207 1.00 33.34 H new ATOM 0 HG23 THR A 77 5.453 10.261 1.099 1.00 33.34 H new ATOM 1312 N LYS A 78 10.419 10.417 0.982 1.00 25.42 N ATOM 1313 CA LYS A 78 11.806 10.361 1.502 1.00 12.11 C ATOM 1314 C LYS A 78 11.903 11.067 2.877 1.00 73.41 C ATOM 1315 O LYS A 78 12.934 11.646 3.238 1.00 53.54 O ATOM 1316 CB LYS A 78 12.777 10.960 0.448 1.00 1.34 C ATOM 1317 CG LYS A 78 12.814 10.162 -0.878 1.00 64.01 C ATOM 1318 CD LYS A 78 13.746 10.777 -1.947 1.00 60.43 C ATOM 1319 CE LYS A 78 13.323 12.193 -2.373 1.00 35.10 C ATOM 1320 NZ LYS A 78 14.122 12.698 -3.518 1.00 23.23 N ATOM 0 H LYS A 78 10.157 11.327 0.604 1.00 25.42 H new ATOM 0 HA LYS A 78 12.098 9.324 1.669 1.00 12.11 H new ATOM 0 HB2 LYS A 78 12.483 11.988 0.237 1.00 1.34 H new ATOM 0 HB3 LYS A 78 13.781 10.996 0.870 1.00 1.34 H new ATOM 0 HG2 LYS A 78 13.138 9.142 -0.669 1.00 64.01 H new ATOM 0 HG3 LYS A 78 11.804 10.099 -1.282 1.00 64.01 H new ATOM 0 HD2 LYS A 78 14.764 10.810 -1.558 1.00 60.43 H new ATOM 0 HD3 LYS A 78 13.761 10.129 -2.824 1.00 60.43 H new ATOM 0 HE2 LYS A 78 12.267 12.189 -2.643 1.00 35.10 H new ATOM 0 HE3 LYS A 78 13.433 12.873 -1.528 1.00 35.10 H new ATOM 0 HZ1 LYS A 78 13.802 13.655 -3.770 1.00 23.23 H new ATOM 0 HZ2 LYS A 78 15.127 12.728 -3.253 1.00 23.23 H new ATOM 0 HZ3 LYS A 78 13.998 12.065 -4.334 1.00 23.23 H new ATOM 1334 N ASN A 79 10.812 10.953 3.663 1.00 55.31 N ATOM 1335 CA ASN A 79 10.723 11.477 5.048 1.00 60.43 C ATOM 1336 C ASN A 79 11.083 10.374 6.080 1.00 51.23 C ATOM 1337 O ASN A 79 10.407 10.204 7.108 1.00 53.21 O ATOM 1338 CB ASN A 79 9.293 12.037 5.296 1.00 5.23 C ATOM 1339 CG ASN A 79 9.018 13.347 4.549 1.00 0.40 C ATOM 1340 OD1 ASN A 79 8.687 13.352 3.371 1.00 20.31 O ATOM 1341 ND2 ASN A 79 9.120 14.471 5.232 1.00 70.02 N ATOM 0 H ASN A 79 9.957 10.490 3.353 1.00 55.31 H new ATOM 0 HA ASN A 79 11.444 12.285 5.174 1.00 60.43 H new ATOM 0 HB2 ASN A 79 8.560 11.291 4.989 1.00 5.23 H new ATOM 0 HB3 ASN A 79 9.154 12.200 6.365 1.00 5.23 H new ATOM 0 HD21 ASN A 79 8.922 15.363 4.779 1.00 70.02 H new ATOM 0 HD22 ASN A 79 9.397 14.448 6.213 1.00 70.02 H new ATOM 1348 N PHE A 80 12.219 9.684 5.833 1.00 13.02 N ATOM 1349 CA PHE A 80 12.729 8.591 6.704 1.00 11.32 C ATOM 1350 C PHE A 80 13.408 9.118 8.013 1.00 11.13 C ATOM 1351 O PHE A 80 14.133 8.373 8.683 1.00 72.43 O ATOM 1352 CB PHE A 80 13.740 7.713 5.912 1.00 73.22 C ATOM 1353 CG PHE A 80 13.168 7.023 4.672 1.00 2.10 C ATOM 1354 CD1 PHE A 80 12.392 5.872 4.789 1.00 70.31 C ATOM 1355 CD2 PHE A 80 13.416 7.515 3.387 1.00 21.10 C ATOM 1356 CE1 PHE A 80 11.891 5.234 3.669 1.00 33.20 C ATOM 1357 CE2 PHE A 80 12.909 6.875 2.269 1.00 43.33 C ATOM 1358 CZ PHE A 80 12.144 5.737 2.410 1.00 52.34 C ATOM 0 H PHE A 80 12.812 9.867 5.023 1.00 13.02 H new ATOM 0 HA PHE A 80 11.865 8.000 7.006 1.00 11.32 H new ATOM 0 HB2 PHE A 80 14.579 8.338 5.606 1.00 73.22 H new ATOM 0 HB3 PHE A 80 14.138 6.951 6.582 1.00 73.22 H new ATOM 0 HD1 PHE A 80 12.178 5.472 5.769 1.00 70.31 H new ATOM 0 HD2 PHE A 80 14.012 8.407 3.265 1.00 21.10 H new ATOM 0 HE1 PHE A 80 11.299 4.338 3.781 1.00 33.20 H new ATOM 0 HE2 PHE A 80 13.113 7.268 1.284 1.00 43.33 H new ATOM 0 HZ PHE A 80 11.744 5.241 1.538 1.00 52.34 H new ATOM 1368 N LYS A 81 13.165 10.395 8.371 1.00 61.14 N ATOM 1369 CA LYS A 81 13.703 11.017 9.594 1.00 4.11 C ATOM 1370 C LYS A 81 12.945 10.515 10.851 1.00 74.02 C ATOM 1371 O LYS A 81 13.523 9.831 11.708 1.00 12.05 O ATOM 1372 CB LYS A 81 13.606 12.562 9.463 1.00 42.14 C ATOM 1373 CG LYS A 81 14.126 13.357 10.680 1.00 34.15 C ATOM 1374 CD LYS A 81 15.643 13.169 10.942 1.00 72.43 C ATOM 1375 CE LYS A 81 16.520 13.701 9.797 1.00 62.25 C ATOM 1376 NZ LYS A 81 17.964 13.550 10.088 1.00 24.24 N ATOM 0 H LYS A 81 12.587 11.026 7.816 1.00 61.14 H new ATOM 0 HA LYS A 81 14.749 10.733 9.713 1.00 4.11 H new ATOM 0 HB2 LYS A 81 14.165 12.872 8.580 1.00 42.14 H new ATOM 0 HB3 LYS A 81 12.564 12.832 9.291 1.00 42.14 H new ATOM 0 HG2 LYS A 81 13.921 14.416 10.526 1.00 34.15 H new ATOM 0 HG3 LYS A 81 13.572 13.051 11.567 1.00 34.15 H new ATOM 0 HD2 LYS A 81 15.913 13.680 11.866 1.00 72.43 H new ATOM 0 HD3 LYS A 81 15.852 12.110 11.091 1.00 72.43 H new ATOM 0 HE2 LYS A 81 16.278 13.168 8.877 1.00 62.25 H new ATOM 0 HE3 LYS A 81 16.293 14.753 9.625 1.00 62.25 H new ATOM 0 HZ1 LYS A 81 18.519 13.921 9.291 1.00 24.24 H new ATOM 0 HZ2 LYS A 81 18.201 14.079 10.951 1.00 24.24 H new ATOM 0 HZ3 LYS A 81 18.187 12.544 10.227 1.00 24.24 H new ATOM 1390 N THR A 82 11.638 10.853 10.942 1.00 22.30 N ATOM 1391 CA THR A 82 10.778 10.478 12.098 1.00 15.14 C ATOM 1392 C THR A 82 10.344 8.990 12.051 1.00 74.31 C ATOM 1393 O THR A 82 10.184 8.348 13.096 1.00 42.20 O ATOM 1394 CB THR A 82 9.512 11.398 12.200 1.00 22.53 C ATOM 1395 OG1 THR A 82 8.694 10.995 13.314 1.00 1.45 O ATOM 1396 CG2 THR A 82 8.670 11.396 10.908 1.00 52.33 C ATOM 0 H THR A 82 11.149 11.389 10.225 1.00 22.30 H new ATOM 0 HA THR A 82 11.390 10.623 12.988 1.00 15.14 H new ATOM 0 HB THR A 82 9.872 12.416 12.351 1.00 22.53 H new ATOM 0 HG1 THR A 82 7.907 11.577 13.369 1.00 1.45 H new ATOM 0 HG21 THR A 82 7.807 12.049 11.035 1.00 52.33 H new ATOM 0 HG22 THR A 82 9.277 11.755 10.077 1.00 52.33 H new ATOM 0 HG23 THR A 82 8.330 10.382 10.697 1.00 52.33 H new ATOM 1404 N SER A 83 10.150 8.451 10.833 1.00 54.24 N ATOM 1405 CA SER A 83 9.883 7.004 10.618 1.00 53.55 C ATOM 1406 C SER A 83 10.896 6.427 9.607 1.00 33.34 C ATOM 1407 O SER A 83 10.677 6.512 8.390 1.00 24.24 O ATOM 1408 CB SER A 83 8.430 6.754 10.134 1.00 41.34 C ATOM 1409 OG SER A 83 7.477 7.157 11.103 1.00 65.52 O ATOM 0 H SER A 83 10.172 8.996 9.971 1.00 54.24 H new ATOM 0 HA SER A 83 10.000 6.495 11.575 1.00 53.55 H new ATOM 0 HB2 SER A 83 8.257 7.298 9.206 1.00 41.34 H new ATOM 0 HB3 SER A 83 8.298 5.695 9.912 1.00 41.34 H new ATOM 0 HG SER A 83 6.911 7.865 10.731 1.00 65.52 H new ATOM 1415 N PRO A 84 12.062 5.884 10.093 1.00 21.55 N ATOM 1416 CA PRO A 84 13.065 5.236 9.212 1.00 40.32 C ATOM 1417 C PRO A 84 12.585 3.874 8.664 1.00 5.52 C ATOM 1418 O PRO A 84 11.650 3.258 9.202 1.00 3.13 O ATOM 1419 CB PRO A 84 14.304 5.086 10.129 1.00 13.51 C ATOM 1420 CG PRO A 84 13.733 4.983 11.513 1.00 14.11 C ATOM 1421 CD PRO A 84 12.500 5.875 11.519 1.00 73.34 C ATOM 0 HA PRO A 84 13.267 5.821 8.315 1.00 40.32 H new ATOM 0 HB2 PRO A 84 14.884 4.200 9.871 1.00 13.51 H new ATOM 0 HB3 PRO A 84 14.972 5.942 10.037 1.00 13.51 H new ATOM 0 HG2 PRO A 84 13.471 3.952 11.753 1.00 14.11 H new ATOM 0 HG3 PRO A 84 14.456 5.310 12.260 1.00 14.11 H new ATOM 0 HD2 PRO A 84 11.723 5.480 12.174 1.00 73.34 H new ATOM 0 HD3 PRO A 84 12.734 6.879 11.872 1.00 73.34 H new ATOM 1429 N LEU A 85 13.239 3.413 7.592 1.00 13.32 N ATOM 1430 CA LEU A 85 12.830 2.205 6.868 1.00 45.01 C ATOM 1431 C LEU A 85 13.342 0.915 7.576 1.00 41.54 C ATOM 1432 O LEU A 85 14.552 0.774 7.792 1.00 41.35 O ATOM 1433 CB LEU A 85 13.350 2.279 5.413 1.00 53.21 C ATOM 1434 CG LEU A 85 12.763 1.229 4.429 1.00 64.11 C ATOM 1435 CD1 LEU A 85 11.224 1.369 4.315 1.00 61.41 C ATOM 1436 CD2 LEU A 85 13.432 1.337 3.046 1.00 62.21 C ATOM 0 H LEU A 85 14.066 3.866 7.203 1.00 13.32 H new ATOM 0 HA LEU A 85 11.741 2.155 6.859 1.00 45.01 H new ATOM 0 HB2 LEU A 85 13.138 3.274 5.022 1.00 53.21 H new ATOM 0 HB3 LEU A 85 14.434 2.168 5.429 1.00 53.21 H new ATOM 0 HG LEU A 85 12.978 0.238 4.830 1.00 64.11 H new ATOM 0 HD11 LEU A 85 10.841 0.622 3.620 1.00 61.41 H new ATOM 0 HD12 LEU A 85 10.771 1.219 5.295 1.00 61.41 H new ATOM 0 HD13 LEU A 85 10.975 2.365 3.950 1.00 61.41 H new ATOM 0 HD21 LEU A 85 13.004 0.592 2.376 1.00 62.21 H new ATOM 0 HD22 LEU A 85 13.263 2.333 2.637 1.00 62.21 H new ATOM 0 HD23 LEU A 85 14.503 1.163 3.145 1.00 62.21 H new ATOM 1448 N PRO A 86 12.430 -0.048 7.940 1.00 10.35 N ATOM 1449 CA PRO A 86 12.820 -1.330 8.566 1.00 75.10 C ATOM 1450 C PRO A 86 13.310 -2.364 7.517 1.00 73.34 C ATOM 1451 O PRO A 86 13.047 -2.224 6.316 1.00 15.34 O ATOM 1452 CB PRO A 86 11.514 -1.779 9.264 1.00 10.22 C ATOM 1453 CG PRO A 86 10.416 -1.240 8.399 1.00 32.51 C ATOM 1454 CD PRO A 86 10.958 0.028 7.753 1.00 13.14 C ATOM 0 HA PRO A 86 13.660 -1.235 9.254 1.00 75.10 H new ATOM 0 HB2 PRO A 86 11.460 -2.865 9.342 1.00 10.22 H new ATOM 0 HB3 PRO A 86 11.450 -1.383 10.278 1.00 10.22 H new ATOM 0 HG2 PRO A 86 10.126 -1.968 7.641 1.00 32.51 H new ATOM 0 HG3 PRO A 86 9.526 -1.024 8.991 1.00 32.51 H new ATOM 0 HD2 PRO A 86 10.696 0.076 6.696 1.00 13.14 H new ATOM 0 HD3 PRO A 86 10.545 0.920 8.225 1.00 13.14 H new ATOM 1462 N ASP A 87 14.004 -3.407 8.002 1.00 51.44 N ATOM 1463 CA ASP A 87 14.639 -4.447 7.153 1.00 0.41 C ATOM 1464 C ASP A 87 13.605 -5.235 6.303 1.00 4.11 C ATOM 1465 O ASP A 87 13.901 -5.667 5.183 1.00 70.11 O ATOM 1466 CB ASP A 87 15.465 -5.406 8.052 1.00 30.12 C ATOM 1467 CG ASP A 87 16.514 -4.657 8.896 1.00 42.11 C ATOM 1468 OD1 ASP A 87 16.156 -4.129 9.975 1.00 42.14 O ATOM 1469 OD2 ASP A 87 17.682 -4.556 8.465 1.00 31.04 O ATOM 0 H ASP A 87 14.145 -3.560 9.001 1.00 51.44 H new ATOM 0 HA ASP A 87 15.299 -3.948 6.443 1.00 0.41 H new ATOM 0 HB2 ASP A 87 14.791 -5.951 8.713 1.00 30.12 H new ATOM 0 HB3 ASP A 87 15.965 -6.146 7.427 1.00 30.12 H new ATOM 1474 N LYS A 88 12.385 -5.382 6.851 1.00 60.32 N ATOM 1475 CA LYS A 88 11.246 -6.045 6.171 1.00 2.21 C ATOM 1476 C LYS A 88 10.756 -5.272 4.910 1.00 4.53 C ATOM 1477 O LYS A 88 10.139 -5.867 4.019 1.00 23.35 O ATOM 1478 CB LYS A 88 10.077 -6.231 7.171 1.00 72.44 C ATOM 1479 CG LYS A 88 9.534 -4.911 7.771 1.00 53.22 C ATOM 1480 CD LYS A 88 8.346 -5.116 8.738 1.00 71.24 C ATOM 1481 CE LYS A 88 7.116 -5.746 8.057 1.00 73.32 C ATOM 1482 NZ LYS A 88 5.975 -5.868 8.986 1.00 64.02 N ATOM 0 H LYS A 88 12.155 -5.043 7.785 1.00 60.32 H new ATOM 0 HA LYS A 88 11.601 -7.015 5.824 1.00 2.21 H new ATOM 0 HB2 LYS A 88 9.262 -6.749 6.666 1.00 72.44 H new ATOM 0 HB3 LYS A 88 10.409 -6.876 7.984 1.00 72.44 H new ATOM 0 HG2 LYS A 88 10.340 -4.403 8.301 1.00 53.22 H new ATOM 0 HG3 LYS A 88 9.222 -4.253 6.959 1.00 53.22 H new ATOM 0 HD2 LYS A 88 8.663 -5.753 9.564 1.00 71.24 H new ATOM 0 HD3 LYS A 88 8.064 -4.154 9.167 1.00 71.24 H new ATOM 0 HE2 LYS A 88 6.824 -5.138 7.201 1.00 73.32 H new ATOM 0 HE3 LYS A 88 7.379 -6.732 7.673 1.00 73.32 H new ATOM 0 HZ1 LYS A 88 5.112 -5.517 8.524 1.00 64.02 H new ATOM 0 HZ2 LYS A 88 5.846 -6.866 9.248 1.00 64.02 H new ATOM 0 HZ3 LYS A 88 6.162 -5.307 9.841 1.00 64.02 H new ATOM 1496 N TRP A 89 10.997 -3.940 4.855 1.00 53.54 N ATOM 1497 CA TRP A 89 10.641 -3.097 3.677 1.00 22.54 C ATOM 1498 C TRP A 89 11.889 -2.464 3.013 1.00 61.13 C ATOM 1499 O TRP A 89 11.751 -1.678 2.066 1.00 12.13 O ATOM 1500 CB TRP A 89 9.625 -1.985 4.071 1.00 41.15 C ATOM 1501 CG TRP A 89 8.316 -2.504 4.626 1.00 44.23 C ATOM 1502 CD1 TRP A 89 7.862 -2.380 5.907 1.00 12.44 C ATOM 1503 CD2 TRP A 89 7.296 -3.234 3.914 1.00 11.12 C ATOM 1504 NE1 TRP A 89 6.645 -2.986 6.038 1.00 10.14 N ATOM 1505 CE2 TRP A 89 6.275 -3.518 4.834 1.00 32.05 C ATOM 1506 CE3 TRP A 89 7.149 -3.676 2.594 1.00 10.35 C ATOM 1507 CZ2 TRP A 89 5.123 -4.213 4.480 1.00 74.21 C ATOM 1508 CZ3 TRP A 89 6.008 -4.373 2.241 1.00 23.12 C ATOM 1509 CH2 TRP A 89 5.009 -4.640 3.183 1.00 61.31 C ATOM 0 H TRP A 89 11.438 -3.420 5.614 1.00 53.54 H new ATOM 0 HA TRP A 89 10.175 -3.760 2.947 1.00 22.54 H new ATOM 0 HB2 TRP A 89 10.087 -1.333 4.812 1.00 41.15 H new ATOM 0 HB3 TRP A 89 9.417 -1.372 3.194 1.00 41.15 H new ATOM 0 HD1 TRP A 89 8.389 -1.875 6.703 1.00 12.44 H new ATOM 0 HE1 TRP A 89 6.099 -3.034 6.898 1.00 10.14 H new ATOM 0 HE3 TRP A 89 7.916 -3.475 1.861 1.00 10.35 H new ATOM 0 HZ2 TRP A 89 4.345 -4.409 5.203 1.00 74.21 H new ATOM 0 HZ3 TRP A 89 5.887 -4.716 1.224 1.00 23.12 H new ATOM 0 HH2 TRP A 89 4.131 -5.193 2.882 1.00 61.31 H new ATOM 1520 N ALA A 90 13.100 -2.808 3.504 1.00 32.23 N ATOM 1521 CA ALA A 90 14.371 -2.302 2.932 1.00 41.53 C ATOM 1522 C ALA A 90 14.553 -2.793 1.471 1.00 4.23 C ATOM 1523 O ALA A 90 14.879 -3.965 1.237 1.00 71.22 O ATOM 1524 CB ALA A 90 15.564 -2.706 3.813 1.00 73.32 C ATOM 0 H ALA A 90 13.226 -3.436 4.298 1.00 32.23 H new ATOM 0 HA ALA A 90 14.328 -1.213 2.911 1.00 41.53 H new ATOM 0 HB1 ALA A 90 16.486 -2.324 3.374 1.00 73.32 H new ATOM 0 HB2 ALA A 90 15.437 -2.288 4.812 1.00 73.32 H new ATOM 0 HB3 ALA A 90 15.616 -3.793 3.879 1.00 73.32 H new ATOM 1530 N ASN A 91 14.273 -1.878 0.513 1.00 44.15 N ATOM 1531 CA ASN A 91 14.310 -2.140 -0.946 1.00 31.20 C ATOM 1532 C ASN A 91 13.212 -3.151 -1.384 1.00 15.20 C ATOM 1533 O ASN A 91 13.394 -3.918 -2.335 1.00 33.23 O ATOM 1534 CB ASN A 91 15.735 -2.584 -1.409 1.00 0.52 C ATOM 1535 CG ASN A 91 16.810 -1.537 -1.098 1.00 25.15 C ATOM 1536 OD1 ASN A 91 16.545 -0.337 -1.060 1.00 32.32 O ATOM 1537 ND2 ASN A 91 18.031 -1.974 -0.875 1.00 62.12 N ATOM 0 H ASN A 91 14.010 -0.918 0.737 1.00 44.15 H new ATOM 0 HA ASN A 91 14.085 -1.200 -1.450 1.00 31.20 H new ATOM 0 HB2 ASN A 91 15.995 -3.523 -0.920 1.00 0.52 H new ATOM 0 HB3 ASN A 91 15.721 -2.777 -2.482 1.00 0.52 H new ATOM 0 HD21 ASN A 91 18.779 -1.313 -0.666 1.00 62.12 H new ATOM 0 HD22 ASN A 91 18.229 -2.974 -0.911 1.00 62.12 H new ATOM 1544 N SER A 92 12.060 -3.112 -0.681 1.00 75.00 N ATOM 1545 CA SER A 92 10.851 -3.889 -1.062 1.00 30.21 C ATOM 1546 C SER A 92 10.342 -3.473 -2.460 1.00 10.13 C ATOM 1547 O SER A 92 10.268 -2.283 -2.762 1.00 12.30 O ATOM 1548 CB SER A 92 9.723 -3.691 -0.024 1.00 14.32 C ATOM 1549 OG SER A 92 8.466 -4.173 -0.496 1.00 41.14 O ATOM 0 H SER A 92 11.937 -2.548 0.160 1.00 75.00 H new ATOM 0 HA SER A 92 11.133 -4.942 -1.088 1.00 30.21 H new ATOM 0 HB2 SER A 92 9.986 -4.209 0.899 1.00 14.32 H new ATOM 0 HB3 SER A 92 9.636 -2.632 0.218 1.00 14.32 H new ATOM 0 HG SER A 92 8.525 -5.138 -0.657 1.00 41.14 H new ATOM 1555 N LYS A 93 9.991 -4.471 -3.289 1.00 42.20 N ATOM 1556 CA LYS A 93 9.514 -4.265 -4.677 1.00 65.12 C ATOM 1557 C LYS A 93 8.222 -3.404 -4.689 1.00 14.03 C ATOM 1558 O LYS A 93 8.117 -2.423 -5.445 1.00 73.32 O ATOM 1559 CB LYS A 93 9.310 -5.671 -5.338 1.00 61.51 C ATOM 1560 CG LYS A 93 9.083 -5.693 -6.874 1.00 44.13 C ATOM 1561 CD LYS A 93 7.633 -5.352 -7.287 1.00 61.42 C ATOM 1562 CE LYS A 93 7.417 -5.361 -8.804 1.00 62.34 C ATOM 1563 NZ LYS A 93 5.999 -5.122 -9.155 1.00 24.12 N ATOM 0 H LYS A 93 10.029 -5.453 -3.017 1.00 42.20 H new ATOM 0 HA LYS A 93 10.250 -3.711 -5.260 1.00 65.12 H new ATOM 0 HB2 LYS A 93 10.184 -6.282 -5.114 1.00 61.51 H new ATOM 0 HB3 LYS A 93 8.455 -6.151 -4.861 1.00 61.51 H new ATOM 0 HG2 LYS A 93 9.763 -4.983 -7.344 1.00 44.13 H new ATOM 0 HG3 LYS A 93 9.339 -6.681 -7.257 1.00 44.13 H new ATOM 0 HD2 LYS A 93 6.953 -6.069 -6.826 1.00 61.42 H new ATOM 0 HD3 LYS A 93 7.373 -4.368 -6.896 1.00 61.42 H new ATOM 0 HE2 LYS A 93 8.040 -4.595 -9.265 1.00 62.34 H new ATOM 0 HE3 LYS A 93 7.736 -6.320 -9.212 1.00 62.34 H new ATOM 0 HZ1 LYS A 93 5.868 -5.252 -10.178 1.00 24.12 H new ATOM 0 HZ2 LYS A 93 5.396 -5.795 -8.640 1.00 24.12 H new ATOM 0 HZ3 LYS A 93 5.735 -4.151 -8.893 1.00 24.12 H new ATOM 1577 N LEU A 94 7.258 -3.795 -3.839 1.00 63.45 N ATOM 1578 CA LEU A 94 6.012 -3.030 -3.587 1.00 22.14 C ATOM 1579 C LEU A 94 6.297 -1.562 -3.195 1.00 54.04 C ATOM 1580 O LEU A 94 5.688 -0.630 -3.738 1.00 52.44 O ATOM 1581 CB LEU A 94 5.229 -3.696 -2.440 1.00 63.52 C ATOM 1582 CG LEU A 94 3.915 -2.983 -1.997 1.00 70.15 C ATOM 1583 CD1 LEU A 94 2.793 -3.137 -3.047 1.00 10.12 C ATOM 1584 CD2 LEU A 94 3.476 -3.469 -0.608 1.00 60.00 C ATOM 0 H LEU A 94 7.316 -4.659 -3.299 1.00 63.45 H new ATOM 0 HA LEU A 94 5.436 -3.032 -4.512 1.00 22.14 H new ATOM 0 HB2 LEU A 94 4.982 -4.714 -2.740 1.00 63.52 H new ATOM 0 HB3 LEU A 94 5.887 -3.770 -1.574 1.00 63.52 H new ATOM 0 HG LEU A 94 4.122 -1.915 -1.924 1.00 70.15 H new ATOM 0 HD11 LEU A 94 1.896 -2.626 -2.698 1.00 10.12 H new ATOM 0 HD12 LEU A 94 3.116 -2.700 -3.992 1.00 10.12 H new ATOM 0 HD13 LEU A 94 2.574 -4.195 -3.193 1.00 10.12 H new ATOM 0 HD21 LEU A 94 2.557 -2.959 -0.318 1.00 60.00 H new ATOM 0 HD22 LEU A 94 3.300 -4.544 -0.637 1.00 60.00 H new ATOM 0 HD23 LEU A 94 4.258 -3.249 0.118 1.00 60.00 H new ATOM 1596 N LEU A 95 7.221 -1.383 -2.225 1.00 52.15 N ATOM 1597 CA LEU A 95 7.587 -0.054 -1.693 1.00 5.42 C ATOM 1598 C LEU A 95 8.088 0.888 -2.807 1.00 75.34 C ATOM 1599 O LEU A 95 7.719 2.051 -2.842 1.00 42.31 O ATOM 1600 CB LEU A 95 8.676 -0.174 -0.601 1.00 21.20 C ATOM 1601 CG LEU A 95 9.128 1.179 0.037 1.00 33.43 C ATOM 1602 CD1 LEU A 95 8.009 1.799 0.898 1.00 61.11 C ATOM 1603 CD2 LEU A 95 10.445 1.028 0.820 1.00 5.33 C ATOM 0 H LEU A 95 7.731 -2.153 -1.791 1.00 52.15 H new ATOM 0 HA LEU A 95 6.682 0.370 -1.257 1.00 5.42 H new ATOM 0 HB2 LEU A 95 8.304 -0.825 0.191 1.00 21.20 H new ATOM 0 HB3 LEU A 95 9.549 -0.664 -1.033 1.00 21.20 H new ATOM 0 HG LEU A 95 9.325 1.875 -0.779 1.00 33.43 H new ATOM 0 HD11 LEU A 95 8.358 2.739 1.326 1.00 61.11 H new ATOM 0 HD12 LEU A 95 7.133 1.986 0.277 1.00 61.11 H new ATOM 0 HD13 LEU A 95 7.744 1.111 1.701 1.00 61.11 H new ATOM 0 HD21 LEU A 95 10.726 1.990 1.248 1.00 5.33 H new ATOM 0 HD22 LEU A 95 10.311 0.300 1.620 1.00 5.33 H new ATOM 0 HD23 LEU A 95 11.232 0.687 0.147 1.00 5.33 H new ATOM 1615 N LYS A 96 8.930 0.357 -3.711 1.00 73.50 N ATOM 1616 CA LYS A 96 9.491 1.136 -4.837 1.00 4.11 C ATOM 1617 C LYS A 96 8.383 1.636 -5.795 1.00 1.22 C ATOM 1618 O LYS A 96 8.461 2.756 -6.298 1.00 63.01 O ATOM 1619 CB LYS A 96 10.552 0.307 -5.593 1.00 24.12 C ATOM 1620 CG LYS A 96 11.747 -0.113 -4.712 1.00 34.40 C ATOM 1621 CD LYS A 96 12.895 -0.799 -5.494 1.00 24.11 C ATOM 1622 CE LYS A 96 13.789 0.186 -6.288 1.00 43.21 C ATOM 1623 NZ LYS A 96 13.088 0.859 -7.415 1.00 40.25 N ATOM 0 H LYS A 96 9.240 -0.614 -3.686 1.00 73.50 H new ATOM 0 HA LYS A 96 9.978 2.019 -4.422 1.00 4.11 H new ATOM 0 HB2 LYS A 96 10.080 -0.587 -6.001 1.00 24.12 H new ATOM 0 HB3 LYS A 96 10.921 0.888 -6.439 1.00 24.12 H new ATOM 0 HG2 LYS A 96 12.141 0.769 -4.207 1.00 34.40 H new ATOM 0 HG3 LYS A 96 11.393 -0.792 -3.937 1.00 34.40 H new ATOM 0 HD2 LYS A 96 13.517 -1.355 -4.793 1.00 24.11 H new ATOM 0 HD3 LYS A 96 12.467 -1.525 -6.186 1.00 24.11 H new ATOM 0 HE2 LYS A 96 14.172 0.945 -5.606 1.00 43.21 H new ATOM 0 HE3 LYS A 96 14.651 -0.355 -6.679 1.00 43.21 H new ATOM 0 HZ1 LYS A 96 13.747 0.981 -8.210 1.00 40.25 H new ATOM 0 HZ2 LYS A 96 12.282 0.277 -7.720 1.00 40.25 H new ATOM 0 HZ3 LYS A 96 12.744 1.790 -7.104 1.00 40.25 H new ATOM 1637 N GLN A 97 7.348 0.800 -6.016 1.00 40.34 N ATOM 1638 CA GLN A 97 6.133 1.194 -6.777 1.00 62.10 C ATOM 1639 C GLN A 97 5.340 2.309 -6.053 1.00 61.14 C ATOM 1640 O GLN A 97 4.777 3.198 -6.696 1.00 73.22 O ATOM 1641 CB GLN A 97 5.219 -0.042 -7.025 1.00 20.22 C ATOM 1642 CG GLN A 97 5.767 -1.092 -8.023 1.00 10.44 C ATOM 1643 CD GLN A 97 5.823 -0.616 -9.493 1.00 24.54 C ATOM 1644 OE1 GLN A 97 6.013 0.559 -9.792 1.00 3.22 O ATOM 1645 NE2 GLN A 97 5.664 -1.530 -10.429 1.00 42.02 N ATOM 0 H GLN A 97 7.325 -0.162 -5.677 1.00 40.34 H new ATOM 0 HA GLN A 97 6.463 1.590 -7.737 1.00 62.10 H new ATOM 0 HB2 GLN A 97 5.038 -0.535 -6.070 1.00 20.22 H new ATOM 0 HB3 GLN A 97 4.254 0.310 -7.389 1.00 20.22 H new ATOM 0 HG2 GLN A 97 6.770 -1.382 -7.710 1.00 10.44 H new ATOM 0 HG3 GLN A 97 5.145 -1.986 -7.968 1.00 10.44 H new ATOM 0 HE21 GLN A 97 5.507 -2.504 -10.169 1.00 42.02 H new ATOM 0 HE22 GLN A 97 5.698 -1.264 -11.413 1.00 42.02 H new ATOM 1654 N LEU A 98 5.301 2.230 -4.709 1.00 3.33 N ATOM 1655 CA LEU A 98 4.592 3.204 -3.838 1.00 33.52 C ATOM 1656 C LEU A 98 5.330 4.576 -3.790 1.00 10.14 C ATOM 1657 O LEU A 98 4.694 5.630 -3.726 1.00 53.11 O ATOM 1658 CB LEU A 98 4.450 2.599 -2.410 1.00 43.13 C ATOM 1659 CG LEU A 98 3.600 3.413 -1.380 1.00 12.04 C ATOM 1660 CD1 LEU A 98 2.122 3.524 -1.821 1.00 21.34 C ATOM 1661 CD2 LEU A 98 3.723 2.811 0.042 1.00 72.44 C ATOM 0 H LEU A 98 5.762 1.485 -4.187 1.00 3.33 H new ATOM 0 HA LEU A 98 3.603 3.392 -4.255 1.00 33.52 H new ATOM 0 HB2 LEU A 98 4.010 1.606 -2.504 1.00 43.13 H new ATOM 0 HB3 LEU A 98 5.450 2.467 -1.996 1.00 43.13 H new ATOM 0 HG LEU A 98 4.003 4.425 -1.349 1.00 12.04 H new ATOM 0 HD11 LEU A 98 1.563 4.096 -1.080 1.00 21.34 H new ATOM 0 HD12 LEU A 98 2.067 4.028 -2.786 1.00 21.34 H new ATOM 0 HD13 LEU A 98 1.692 2.526 -1.908 1.00 21.34 H new ATOM 0 HD21 LEU A 98 3.122 3.396 0.738 1.00 72.44 H new ATOM 0 HD22 LEU A 98 3.367 1.781 0.033 1.00 72.44 H new ATOM 0 HD23 LEU A 98 4.766 2.832 0.357 1.00 72.44 H new ATOM 1673 N GLN A 99 6.673 4.531 -3.815 1.00 12.31 N ATOM 1674 CA GLN A 99 7.546 5.735 -3.864 1.00 33.44 C ATOM 1675 C GLN A 99 7.435 6.459 -5.222 1.00 10.32 C ATOM 1676 O GLN A 99 7.365 7.695 -5.278 1.00 62.40 O ATOM 1677 CB GLN A 99 9.016 5.330 -3.564 1.00 23.34 C ATOM 1678 CG GLN A 99 9.234 4.775 -2.135 1.00 63.13 C ATOM 1679 CD GLN A 99 10.645 4.234 -1.878 1.00 14.31 C ATOM 1680 OE1 GLN A 99 11.314 3.738 -2.782 1.00 10.44 O ATOM 1681 NE2 GLN A 99 11.103 4.305 -0.639 1.00 63.41 N ATOM 0 H GLN A 99 7.195 3.655 -3.802 1.00 12.31 H new ATOM 0 HA GLN A 99 7.210 6.436 -3.100 1.00 33.44 H new ATOM 0 HB2 GLN A 99 9.330 4.578 -4.287 1.00 23.34 H new ATOM 0 HB3 GLN A 99 9.659 6.199 -3.708 1.00 23.34 H new ATOM 0 HG2 GLN A 99 9.024 5.565 -1.415 1.00 63.13 H new ATOM 0 HG3 GLN A 99 8.513 3.978 -1.953 1.00 63.13 H new ATOM 0 HE21 GLN A 99 10.529 4.721 0.094 1.00 63.41 H new ATOM 0 HE22 GLN A 99 12.030 3.943 -0.417 1.00 63.41 H new ATOM 1690 N GLU A 100 7.400 5.667 -6.307 1.00 14.21 N ATOM 1691 CA GLU A 100 7.139 6.172 -7.672 1.00 31.23 C ATOM 1692 C GLU A 100 5.714 6.760 -7.778 1.00 24.35 C ATOM 1693 O GLU A 100 5.495 7.760 -8.474 1.00 33.02 O ATOM 1694 CB GLU A 100 7.325 5.043 -8.719 1.00 53.45 C ATOM 1695 CG GLU A 100 8.775 4.546 -8.897 1.00 20.41 C ATOM 1696 CD GLU A 100 9.731 5.634 -9.421 1.00 33.11 C ATOM 1697 OE1 GLU A 100 9.569 6.057 -10.588 1.00 23.23 O ATOM 1698 OE2 GLU A 100 10.644 6.070 -8.685 1.00 1.23 O ATOM 0 H GLU A 100 7.551 4.659 -6.266 1.00 14.21 H new ATOM 0 HA GLU A 100 7.859 6.964 -7.878 1.00 31.23 H new ATOM 0 HB2 GLU A 100 6.700 4.197 -8.433 1.00 53.45 H new ATOM 0 HB3 GLU A 100 6.959 5.398 -9.682 1.00 53.45 H new ATOM 0 HG2 GLU A 100 9.145 4.176 -7.941 1.00 20.41 H new ATOM 0 HG3 GLU A 100 8.781 3.703 -9.588 1.00 20.41 H new ATOM 1705 N PHE A 101 4.751 6.104 -7.099 1.00 3.12 N ATOM 1706 CA PHE A 101 3.347 6.563 -7.046 1.00 61.55 C ATOM 1707 C PHE A 101 3.219 7.918 -6.316 1.00 73.30 C ATOM 1708 O PHE A 101 2.493 8.783 -6.771 1.00 21.01 O ATOM 1709 CB PHE A 101 2.421 5.505 -6.382 1.00 14.40 C ATOM 1710 CG PHE A 101 0.963 5.960 -6.265 1.00 31.33 C ATOM 1711 CD1 PHE A 101 0.166 6.104 -7.402 1.00 50.42 C ATOM 1712 CD2 PHE A 101 0.410 6.306 -5.033 1.00 11.31 C ATOM 1713 CE1 PHE A 101 -1.132 6.565 -7.304 1.00 41.13 C ATOM 1714 CE2 PHE A 101 -0.883 6.776 -4.943 1.00 73.10 C ATOM 1715 CZ PHE A 101 -1.653 6.907 -6.077 1.00 33.41 C ATOM 0 H PHE A 101 4.923 5.246 -6.575 1.00 3.12 H new ATOM 0 HA PHE A 101 3.023 6.699 -8.078 1.00 61.55 H new ATOM 0 HB2 PHE A 101 2.461 4.583 -6.962 1.00 14.40 H new ATOM 0 HB3 PHE A 101 2.802 5.272 -5.388 1.00 14.40 H new ATOM 0 HD1 PHE A 101 0.570 5.851 -8.371 1.00 50.42 H new ATOM 0 HD2 PHE A 101 1.003 6.204 -4.136 1.00 11.31 H new ATOM 0 HE1 PHE A 101 -1.740 6.657 -8.192 1.00 41.13 H new ATOM 0 HE2 PHE A 101 -1.293 7.042 -3.980 1.00 73.10 H new ATOM 0 HZ PHE A 101 -2.665 7.278 -6.004 1.00 33.41 H new ATOM 1725 N SER A 102 3.912 8.067 -5.175 1.00 1.45 N ATOM 1726 CA SER A 102 3.896 9.320 -4.369 1.00 72.51 C ATOM 1727 C SER A 102 4.242 10.559 -5.221 1.00 53.25 C ATOM 1728 O SER A 102 3.587 11.606 -5.110 1.00 24.33 O ATOM 1729 CB SER A 102 4.879 9.202 -3.189 1.00 11.34 C ATOM 1730 OG SER A 102 4.485 8.171 -2.306 1.00 4.33 O ATOM 0 H SER A 102 4.499 7.333 -4.779 1.00 1.45 H new ATOM 0 HA SER A 102 2.883 9.453 -3.989 1.00 72.51 H new ATOM 0 HB2 SER A 102 5.882 9.001 -3.565 1.00 11.34 H new ATOM 0 HB3 SER A 102 4.924 10.149 -2.652 1.00 11.34 H new ATOM 0 HG SER A 102 4.546 7.307 -2.764 1.00 4.33 H new ATOM 1736 N GLU A 103 5.259 10.404 -6.088 1.00 45.23 N ATOM 1737 CA GLU A 103 5.660 11.433 -7.069 1.00 22.22 C ATOM 1738 C GLU A 103 4.510 11.738 -8.063 1.00 64.13 C ATOM 1739 O GLU A 103 4.121 12.887 -8.255 1.00 72.02 O ATOM 1740 CB GLU A 103 6.910 10.948 -7.856 1.00 63.52 C ATOM 1741 CG GLU A 103 8.113 10.519 -6.992 1.00 55.43 C ATOM 1742 CD GLU A 103 8.675 11.659 -6.120 1.00 34.34 C ATOM 1743 OE1 GLU A 103 9.429 12.504 -6.645 1.00 50.43 O ATOM 1744 OE2 GLU A 103 8.352 11.727 -4.912 1.00 70.04 O ATOM 0 H GLU A 103 5.829 9.559 -6.129 1.00 45.23 H new ATOM 0 HA GLU A 103 5.896 12.347 -6.525 1.00 22.22 H new ATOM 0 HB2 GLU A 103 6.618 10.107 -8.485 1.00 63.52 H new ATOM 0 HB3 GLU A 103 7.231 11.748 -8.523 1.00 63.52 H new ATOM 0 HG2 GLU A 103 7.812 9.693 -6.348 1.00 55.43 H new ATOM 0 HG3 GLU A 103 8.904 10.145 -7.642 1.00 55.43 H new ATOM 1751 N ASN A 104 3.958 10.667 -8.657 1.00 34.14 N ATOM 1752 CA ASN A 104 2.994 10.748 -9.780 1.00 24.13 C ATOM 1753 C ASN A 104 1.516 10.619 -9.321 1.00 21.34 C ATOM 1754 O ASN A 104 0.635 10.408 -10.148 1.00 14.52 O ATOM 1755 CB ASN A 104 3.347 9.641 -10.806 1.00 20.42 C ATOM 1756 CG ASN A 104 4.751 9.811 -11.401 1.00 10.22 C ATOM 1757 OD1 ASN A 104 5.214 10.923 -11.625 1.00 71.50 O ATOM 1758 ND2 ASN A 104 5.455 8.719 -11.626 1.00 25.10 N ATOM 0 H ASN A 104 4.167 9.710 -8.373 1.00 34.14 H new ATOM 0 HA ASN A 104 3.079 11.735 -10.234 1.00 24.13 H new ATOM 0 HB2 ASN A 104 3.278 8.667 -10.322 1.00 20.42 H new ATOM 0 HB3 ASN A 104 2.612 9.650 -11.611 1.00 20.42 H new ATOM 0 HD21 ASN A 104 6.404 8.791 -11.993 1.00 25.10 H new ATOM 0 HD22 ASN A 104 5.051 7.803 -11.433 1.00 25.10 H new ATOM 1765 N LYS A 105 1.259 10.761 -8.010 1.00 65.25 N ATOM 1766 CA LYS A 105 -0.078 10.665 -7.417 1.00 43.40 C ATOM 1767 C LYS A 105 -1.056 11.689 -8.042 1.00 32.22 C ATOM 1768 O LYS A 105 -2.188 11.357 -8.411 1.00 0.23 O ATOM 1769 CB LYS A 105 0.062 10.908 -5.899 1.00 4.04 C ATOM 1770 CG LYS A 105 -1.186 10.558 -5.097 1.00 55.11 C ATOM 1771 CD LYS A 105 -1.269 11.222 -3.696 1.00 54.20 C ATOM 1772 CE LYS A 105 -0.056 10.956 -2.777 1.00 71.12 C ATOM 1773 NZ LYS A 105 1.120 11.825 -3.089 1.00 61.13 N ATOM 0 H LYS A 105 1.990 10.949 -7.324 1.00 65.25 H new ATOM 0 HA LYS A 105 -0.493 9.676 -7.613 1.00 43.40 H new ATOM 0 HB2 LYS A 105 0.899 10.320 -5.523 1.00 4.04 H new ATOM 0 HB3 LYS A 105 0.307 11.957 -5.730 1.00 4.04 H new ATOM 0 HG2 LYS A 105 -2.064 10.849 -5.674 1.00 55.11 H new ATOM 0 HG3 LYS A 105 -1.229 9.476 -4.974 1.00 55.11 H new ATOM 0 HD2 LYS A 105 -1.378 12.299 -3.826 1.00 54.20 H new ATOM 0 HD3 LYS A 105 -2.170 10.868 -3.195 1.00 54.20 H new ATOM 0 HE2 LYS A 105 -0.352 11.115 -1.740 1.00 71.12 H new ATOM 0 HE3 LYS A 105 0.238 9.910 -2.868 1.00 71.12 H new ATOM 0 HZ1 LYS A 105 1.677 11.980 -2.224 1.00 61.13 H new ATOM 0 HZ2 LYS A 105 1.714 11.361 -3.805 1.00 61.13 H new ATOM 0 HZ3 LYS A 105 0.788 12.740 -3.455 1.00 61.13 H new ATOM 1787 N GLU A 106 -0.581 12.935 -8.160 1.00 51.34 N ATOM 1788 CA GLU A 106 -1.342 14.066 -8.736 1.00 12.12 C ATOM 1789 C GLU A 106 -0.702 14.550 -10.058 1.00 14.33 C ATOM 1790 O GLU A 106 -1.225 15.454 -10.722 1.00 41.40 O ATOM 1791 CB GLU A 106 -1.381 15.249 -7.711 1.00 14.04 C ATOM 1792 CG GLU A 106 -1.583 14.840 -6.222 1.00 75.14 C ATOM 1793 CD GLU A 106 -0.278 14.739 -5.388 1.00 52.24 C ATOM 1794 OE1 GLU A 106 0.730 14.183 -5.883 1.00 33.11 O ATOM 1795 OE2 GLU A 106 -0.254 15.204 -4.226 1.00 51.53 O ATOM 0 H GLU A 106 0.357 13.197 -7.855 1.00 51.34 H new ATOM 0 HA GLU A 106 -2.355 13.725 -8.948 1.00 12.12 H new ATOM 0 HB2 GLU A 106 -0.449 15.808 -7.793 1.00 14.04 H new ATOM 0 HB3 GLU A 106 -2.186 15.927 -7.996 1.00 14.04 H new ATOM 0 HG2 GLU A 106 -2.244 15.565 -5.748 1.00 75.14 H new ATOM 0 HG3 GLU A 106 -2.092 13.877 -6.191 1.00 75.14 H new ATOM 1802 N LYS A 107 0.431 13.929 -10.436 1.00 41.20 N ATOM 1803 CA LYS A 107 1.340 14.446 -11.492 1.00 4.50 C ATOM 1804 C LYS A 107 1.450 13.481 -12.694 1.00 14.53 C ATOM 1805 O LYS A 107 2.218 13.733 -13.634 1.00 54.31 O ATOM 1806 CB LYS A 107 2.751 14.686 -10.880 1.00 63.22 C ATOM 1807 CG LYS A 107 2.767 15.533 -9.589 1.00 63.15 C ATOM 1808 CD LYS A 107 2.177 16.949 -9.768 1.00 45.10 C ATOM 1809 CE LYS A 107 2.210 17.770 -8.463 1.00 50.32 C ATOM 1810 NZ LYS A 107 1.623 19.116 -8.643 1.00 1.44 N ATOM 0 H LYS A 107 0.748 13.053 -10.021 1.00 41.20 H new ATOM 0 HA LYS A 107 0.922 15.381 -11.864 1.00 4.50 H new ATOM 0 HB2 LYS A 107 3.208 13.719 -10.668 1.00 63.22 H new ATOM 0 HB3 LYS A 107 3.376 15.177 -11.626 1.00 63.22 H new ATOM 0 HG2 LYS A 107 2.205 15.010 -8.815 1.00 63.15 H new ATOM 0 HG3 LYS A 107 3.794 15.619 -9.234 1.00 63.15 H new ATOM 0 HD2 LYS A 107 2.736 17.477 -10.540 1.00 45.10 H new ATOM 0 HD3 LYS A 107 1.148 16.869 -10.118 1.00 45.10 H new ATOM 0 HE2 LYS A 107 1.664 17.237 -7.685 1.00 50.32 H new ATOM 0 HE3 LYS A 107 3.240 17.866 -8.121 1.00 50.32 H new ATOM 0 HZ1 LYS A 107 1.664 19.636 -7.743 1.00 1.44 H new ATOM 0 HZ2 LYS A 107 2.159 19.635 -9.367 1.00 1.44 H new ATOM 0 HZ3 LYS A 107 0.632 19.025 -8.945 1.00 1.44 H new ATOM 1824 N GLU A 108 0.695 12.378 -12.647 1.00 40.01 N ATOM 1825 CA GLU A 108 0.733 11.323 -13.672 1.00 53.32 C ATOM 1826 C GLU A 108 0.105 11.806 -15.001 1.00 11.43 C ATOM 1827 O GLU A 108 -1.030 12.305 -15.000 1.00 64.41 O ATOM 1828 CB GLU A 108 -0.026 10.084 -13.154 1.00 50.10 C ATOM 1829 CG GLU A 108 0.041 8.857 -14.066 1.00 25.35 C ATOM 1830 CD GLU A 108 -0.801 7.688 -13.542 1.00 62.42 C ATOM 1831 OE1 GLU A 108 -0.310 6.919 -12.689 1.00 12.13 O ATOM 1832 OE2 GLU A 108 -1.970 7.542 -13.965 1.00 4.14 O ATOM 0 H GLU A 108 0.035 12.189 -11.893 1.00 40.01 H new ATOM 0 HA GLU A 108 1.775 11.068 -13.868 1.00 53.32 H new ATOM 0 HB2 GLU A 108 0.374 9.814 -12.177 1.00 50.10 H new ATOM 0 HB3 GLU A 108 -1.072 10.352 -13.007 1.00 50.10 H new ATOM 0 HG2 GLU A 108 -0.304 9.130 -15.063 1.00 25.35 H new ATOM 0 HG3 GLU A 108 1.079 8.538 -14.164 1.00 25.35 H new ATOM 1839 N ILE A 109 0.854 11.605 -16.112 1.00 62.00 N ATOM 1840 CA ILE A 109 0.471 11.970 -17.509 1.00 12.23 C ATOM 1841 C ILE A 109 -0.345 13.278 -17.638 1.00 33.32 C ATOM 1842 O ILE A 109 -0.216 14.028 -18.610 1.00 34.55 O ATOM 1843 CB ILE A 109 -0.206 10.753 -18.281 1.00 74.24 C ATOM 1844 CG1 ILE A 109 -1.457 10.138 -17.544 1.00 14.44 C ATOM 1845 CG2 ILE A 109 0.847 9.646 -18.565 1.00 12.21 C ATOM 1846 CD1 ILE A 109 -2.762 10.918 -17.645 1.00 21.51 C ATOM 0 H ILE A 109 1.775 11.169 -16.065 1.00 62.00 H new ATOM 0 HA ILE A 109 1.415 12.191 -18.007 1.00 12.23 H new ATOM 0 HB ILE A 109 -0.583 11.164 -19.217 1.00 74.24 H new ATOM 0 HG12 ILE A 109 -1.627 9.137 -17.940 1.00 14.44 H new ATOM 0 HG13 ILE A 109 -1.209 10.025 -16.489 1.00 14.44 H new ATOM 0 HG21 ILE A 109 0.372 8.819 -19.093 1.00 12.21 H new ATOM 0 HG22 ILE A 109 1.649 10.056 -19.179 1.00 12.21 H new ATOM 0 HG23 ILE A 109 1.259 9.286 -17.623 1.00 12.21 H new ATOM 0 HD11 ILE A 109 -3.544 10.392 -17.098 1.00 21.51 H new ATOM 0 HD12 ILE A 109 -2.626 11.912 -17.218 1.00 21.51 H new ATOM 0 HD13 ILE A 109 -3.051 11.010 -18.692 1.00 21.51 H new TER 1858 ILE A 109