USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 157 THR OG1 : rot -150:sc= 0.074 USER MOD Set 1.2: A 159 ASN : amide:sc= 0 K(o=0.074,f=-0.75) USER MOD Set 2.1: A 64 GLN : amide:sc=-0.00922 X(o=-0.0092,f=-0.12) USER MOD Set 2.2: A 145 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 91 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.8!) USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc=1.45e-05 USER MOD Set 3.3: A 123 HIS : no HD1:sc= 0 X(o=-0.028,f=-0.094) USER MOD Set 4.1: A 94 GLN : amide:sc= 0 X(o=0.54,f=0.27) USER MOD Set 4.2: A 96 HIS : no HD1:sc= 0.541 K(o=0.54,f=-1.9!) USER MOD Set 5.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 133 SER OG : rot 53:sc= 0.979 USER MOD Set 6.1: A 81 THR OG1 : rot -54:sc= 0.532 USER MOD Set 6.2: A 135 HIS : no HD1:sc= 0.385 K(o=0.92,f=-0.34) USER MOD Set 7.1: A 27 SER OG : rot 146:sc= 0.091 USER MOD Set 7.2: A 68 ASN : amide:sc= 0.0748 X(o=0.17,f=-0.015) USER MOD Single : A 1 HIS : no HD1:sc= 0.0607 K(o=0.061,f=-0.89) USER MOD Single : A 1 HIS N :NH3+ -170:sc= 0.0396 (180deg=-0.0496) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0.0011) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 29 MET CE :methyl 168:sc= 0 (180deg=-0.203) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.202 USER MOD Single : A 50 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.34) USER MOD Single : A 53 SER OG : rot 180:sc= -0.08 USER MOD Single : A 65 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 66 SER OG : rot 180:sc= 0.171 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.42) USER MOD Single : A 75 MET CE :methyl -179:sc= -0.0253 (180deg=-0.0269) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 80 HIS : no HD1:sc= 1.01 K(o=1,f=-3.5!) USER MOD Single : A 85 THR OG1 : rot 126:sc= 1.02 USER MOD Single : A 86 TYR OH : rot -114:sc= 1.85 USER MOD Single : A 87 THR OG1 : rot -39:sc= 0.567 USER MOD Single : A 93 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 126:sc= 0.172 USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.038 (180deg=-0.208) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0624 USER MOD Single : A 131 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-3.2!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS :FLIP no HD1:sc= -0.301 F(o=-0.94,f=-0.3) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= -0.699 K(o=-0.7,f=-4!) USER MOD Single : A 171 ASN : amide:sc=-0.00158 K(o=-0.0016,f=-4.1!) USER MOD Single : A 172 LYS NZ :NH3+ -145:sc= 0.339 (180deg=0.0206) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.242 1.371 -1.302 1.00 25.00 N ATOM 2 CA HIS A 1 0.948 1.506 -2.210 1.00 25.00 C ATOM 3 C HIS A 1 0.640 2.289 -3.508 1.00 25.00 C ATOM 4 O HIS A 1 -0.386 1.934 -4.150 1.00 25.00 O ATOM 5 CB HIS A 1 1.516 0.090 -2.567 1.00 0.00 C ATOM 6 CG HIS A 1 2.309 -0.550 -1.496 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.229 -0.123 -0.176 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.058 -1.695 -1.508 1.00 0.00 C ATOM 9 CE1 HIS A 1 3.056 -0.937 0.526 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.589 -1.901 -0.247 1.00 0.00 N ATOM 0 H1 HIS A 1 0.064 0.991 -0.384 1.00 25.00 H new ATOM 0 H2 HIS A 1 -0.680 2.304 -1.162 1.00 25.00 H new ATOM 0 H3 HIS A 1 -0.935 0.725 -1.731 1.00 25.00 H new ATOM 0 HA HIS A 1 1.692 2.083 -1.662 1.00 25.00 H new ATOM 0 HB2 HIS A 1 0.684 -0.565 -2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.139 0.178 -3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.210 -2.335 -2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 1 3.262 -0.825 1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.245 -2.629 0.036 1.00 0.00 H new ATOM 17 N GLY A 2 1.475 3.245 -3.886 1.00 25.00 N ATOM 18 CA GLY A 2 1.066 4.073 -4.958 1.00 25.00 C ATOM 19 C GLY A 2 2.084 5.059 -5.479 1.00 25.00 C ATOM 20 O GLY A 2 3.149 5.185 -4.828 1.00 25.00 O ATOM 0 H GLY A 2 2.389 3.444 -3.479 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.758 3.433 -5.785 1.00 25.00 H new ATOM 0 HA3 GLY A 2 0.184 4.630 -4.641 1.00 25.00 H new ATOM 24 N PHE A 3 1.838 5.654 -6.637 1.00 25.00 N ATOM 25 CA PHE A 3 2.797 6.587 -7.186 1.00 25.00 C ATOM 26 C PHE A 3 1.996 7.614 -8.002 1.00 25.00 C ATOM 27 O PHE A 3 0.770 7.499 -8.190 1.00 25.00 O ATOM 28 CB PHE A 3 3.796 5.864 -8.122 1.00 25.00 C ATOM 29 CG PHE A 3 3.133 5.188 -9.338 1.00 25.00 C ATOM 30 CD1 PHE A 3 3.240 5.712 -10.641 1.00 50.00 C ATOM 31 CD2 PHE A 3 2.462 3.935 -9.116 1.00 50.00 C ATOM 32 CE1 PHE A 3 2.692 4.974 -11.709 1.00 25.00 C ATOM 33 CE2 PHE A 3 1.832 3.202 -10.185 1.00 25.00 C ATOM 34 CZ PHE A 3 1.997 3.749 -11.514 1.00 25.00 C ATOM 0 H PHE A 3 1.000 5.509 -7.201 1.00 25.00 H new ATOM 0 HA PHE A 3 3.368 7.057 -6.385 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.534 6.584 -8.476 1.00 25.00 H new ATOM 0 HB3 PHE A 3 4.336 5.110 -7.549 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.731 6.658 -10.817 1.00 50.00 H new ATOM 0 HD2 PHE A 3 2.429 3.530 -8.115 1.00 50.00 H new ATOM 0 HE1 PHE A 3 2.804 5.353 -12.714 1.00 25.00 H new ATOM 0 HE2 PHE A 3 1.270 2.298 -10.005 1.00 25.00 H new ATOM 0 HZ PHE A 3 1.589 3.223 -12.365 1.00 25.00 H new ATOM 44 N ILE A 4 2.689 8.648 -8.482 1.00 25.00 N ATOM 45 CA ILE A 4 2.092 9.664 -9.344 1.00 25.00 C ATOM 46 C ILE A 4 2.602 9.280 -10.725 1.00 25.00 C ATOM 47 O ILE A 4 3.756 9.097 -10.999 1.00 25.00 O ATOM 48 CB ILE A 4 2.492 11.103 -8.814 1.00 25.00 C ATOM 49 CG1 ILE A 4 2.152 12.227 -9.800 1.00 25.00 C ATOM 50 CG2 ILE A 4 3.975 11.148 -8.510 1.00 25.00 C ATOM 51 CD1 ILE A 4 3.106 12.546 -10.965 1.00 25.00 C ATOM 0 H ILE A 4 3.677 8.803 -8.284 1.00 25.00 H new ATOM 0 HA ILE A 4 1.003 9.708 -9.363 1.00 25.00 H new ATOM 0 HB ILE A 4 1.905 11.272 -7.911 1.00 25.00 H new ATOM 0 HG12 ILE A 4 1.179 11.995 -10.233 1.00 25.00 H new ATOM 0 HG13 ILE A 4 2.033 13.142 -9.220 1.00 25.00 H new ATOM 0 HG21 ILE A 4 4.242 12.140 -8.146 1.00 25.00 H new ATOM 0 HG22 ILE A 4 4.213 10.406 -7.748 1.00 25.00 H new ATOM 0 HG23 ILE A 4 4.539 10.930 -9.417 1.00 25.00 H new ATOM 0 HD11 ILE A 4 2.699 13.368 -11.553 1.00 25.00 H new ATOM 0 HD12 ILE A 4 4.081 12.830 -10.569 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.214 11.665 -11.598 1.00 25.00 H new ATOM 63 N GLU A 5 1.678 9.039 -11.605 1.00 25.00 N ATOM 64 CA GLU A 5 1.855 8.610 -12.986 1.00 25.00 C ATOM 65 C GLU A 5 2.096 9.731 -13.939 1.00 25.00 C ATOM 66 O GLU A 5 3.000 9.680 -14.696 1.00 25.00 O ATOM 67 CB GLU A 5 0.674 7.798 -13.358 1.00 25.00 C ATOM 68 CG GLU A 5 0.750 7.175 -14.712 1.00 25.00 C ATOM 69 CD GLU A 5 -0.297 6.151 -15.031 1.00 25.00 C ATOM 70 OE1 GLU A 5 -0.147 4.979 -14.590 1.00 25.00 O ATOM 71 OE2 GLU A 5 -1.301 6.545 -15.636 1.00 25.00 O1- ATOM 0 H GLU A 5 0.691 9.142 -11.369 1.00 25.00 H new ATOM 0 HA GLU A 5 2.764 8.012 -13.055 1.00 25.00 H new ATOM 0 HB2 GLU A 5 0.543 7.010 -12.617 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.214 8.429 -13.312 1.00 25.00 H new ATOM 0 HG2 GLU A 5 0.691 7.968 -15.457 1.00 25.00 H new ATOM 0 HG3 GLU A 5 1.729 6.708 -14.820 1.00 25.00 H new ATOM 78 N LYS A 6 1.359 10.814 -13.768 1.00 25.00 N ATOM 79 CA LYS A 6 1.514 12.056 -14.565 1.00 25.00 C ATOM 80 C LYS A 6 1.036 13.186 -13.669 1.00 25.00 C ATOM 81 O LYS A 6 0.283 12.913 -12.746 1.00 25.00 O ATOM 82 CB LYS A 6 0.578 11.961 -15.740 1.00 25.00 C ATOM 83 CG LYS A 6 0.961 10.970 -16.827 1.00 25.00 C ATOM 84 CD LYS A 6 -0.119 10.921 -17.956 1.00 25.00 C ATOM 85 CE LYS A 6 0.138 9.758 -18.920 1.00 25.00 C ATOM 86 NZ LYS A 6 -0.847 9.647 -20.146 1.00 25.00 N1+ ATOM 0 H LYS A 6 0.621 10.874 -13.066 1.00 25.00 H new ATOM 0 HA LYS A 6 2.538 12.210 -14.906 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -0.412 11.696 -15.368 1.00 25.00 H new ATOM 0 HB3 LYS A 6 0.495 12.949 -16.192 1.00 25.00 H new ATOM 0 HG2 LYS A 6 1.924 11.249 -17.254 1.00 25.00 H new ATOM 0 HG3 LYS A 6 1.081 9.978 -16.392 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -1.109 10.816 -17.512 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -0.115 11.861 -18.507 1.00 25.00 H new ATOM 0 HE2 LYS A 6 1.155 9.847 -19.303 1.00 25.00 H new ATOM 0 HE3 LYS A 6 0.091 8.827 -18.356 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -0.583 8.829 -20.731 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -1.820 9.525 -19.800 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -0.789 10.514 -20.718 1.00 25.00 H new ATOM 100 N PRO A 7 1.490 14.447 -13.885 1.00 25.00 N ATOM 101 CA PRO A 7 2.354 15.016 -14.912 1.00 25.00 C ATOM 102 C PRO A 7 3.765 14.445 -14.997 1.00 25.00 C ATOM 103 O PRO A 7 4.446 14.198 -13.981 1.00 25.00 O ATOM 104 CB PRO A 7 2.399 16.528 -14.561 1.00 25.00 C ATOM 105 CG PRO A 7 2.255 16.481 -13.054 1.00 25.00 C ATOM 106 CD PRO A 7 1.142 15.504 -12.869 1.00 25.00 C ATOM 0 HA PRO A 7 1.947 14.781 -15.896 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.334 16.995 -14.871 1.00 25.00 H new ATOM 0 HB3 PRO A 7 1.591 17.085 -15.035 1.00 25.00 H new ATOM 0 HG2 PRO A 7 3.172 16.148 -12.568 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.011 17.459 -12.638 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.113 15.104 -11.856 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.168 15.952 -13.062 1.00 25.00 H new ATOM 114 N GLY A 8 4.251 14.244 -16.212 1.00 25.00 N ATOM 115 CA GLY A 8 5.614 13.815 -16.489 1.00 25.00 C ATOM 116 C GLY A 8 5.848 12.308 -16.303 1.00 25.00 C ATOM 117 O GLY A 8 4.950 11.532 -15.975 1.00 25.00 O ATOM 0 H GLY A 8 3.694 14.378 -17.056 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.868 14.087 -17.513 1.00 25.00 H new ATOM 0 HA3 GLY A 8 6.295 14.361 -15.836 1.00 25.00 H new ATOM 121 N SER A 9 7.086 11.917 -16.493 1.00 25.00 N ATOM 122 CA SER A 9 7.581 10.569 -16.269 1.00 25.00 C ATOM 123 C SER A 9 8.727 10.661 -15.276 1.00 25.00 C ATOM 124 O SER A 9 9.869 11.011 -15.548 1.00 25.00 O ATOM 125 CB SER A 9 8.053 9.921 -17.564 1.00 25.00 C ATOM 126 OG SER A 9 8.714 8.712 -17.252 1.00 25.00 O ATOM 0 H SER A 9 7.812 12.554 -16.822 1.00 25.00 H new ATOM 0 HA SER A 9 6.777 9.944 -15.879 1.00 25.00 H new ATOM 0 HB2 SER A 9 7.205 9.729 -18.221 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.725 10.592 -18.099 1.00 25.00 H new ATOM 0 HG SER A 9 9.021 8.284 -18.079 1.00 25.00 H new ATOM 132 N ARG A 10 8.429 10.300 -14.051 1.00 25.00 N ATOM 133 CA ARG A 10 9.453 10.066 -13.041 1.00 25.00 C ATOM 134 C ARG A 10 10.443 8.983 -13.439 1.00 25.00 C ATOM 135 O ARG A 10 11.638 9.134 -13.172 1.00 25.00 O ATOM 136 CB ARG A 10 8.818 9.712 -11.784 1.00 25.00 C ATOM 137 CG ARG A 10 9.791 9.531 -10.515 1.00 25.00 C ATOM 138 CD ARG A 10 8.988 9.127 -9.293 1.00 25.00 C ATOM 139 NE ARG A 10 8.508 7.790 -9.433 1.00 25.00 N ATOM 140 CZ ARG A 10 7.814 7.137 -8.508 1.00 25.00 C ATOM 141 NH1 ARG A 10 7.288 7.653 -7.424 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 7.611 5.856 -8.689 1.00 25.00 N ATOM 0 H ARG A 10 7.475 10.158 -13.719 1.00 25.00 H new ATOM 0 HA ARG A 10 10.021 10.990 -12.937 1.00 25.00 H new ATOM 0 HB2 ARG A 10 8.084 10.481 -11.544 1.00 25.00 H new ATOM 0 HB3 ARG A 10 8.269 8.781 -11.929 1.00 25.00 H new ATOM 0 HG2 ARG A 10 10.545 8.774 -10.731 1.00 25.00 H new ATOM 0 HG3 ARG A 10 10.322 10.463 -10.319 1.00 25.00 H new ATOM 0 HD2 ARG A 10 9.608 9.206 -8.400 1.00 25.00 H new ATOM 0 HD3 ARG A 10 8.149 9.809 -9.160 1.00 25.00 H new ATOM 0 HE ARG A 10 8.712 7.302 -10.305 1.00 25.00 H new ATOM 0 HH11 ARG A 10 7.396 8.648 -7.229 1.00 25.00 H new ATOM 0 HH12 ARG A 10 6.771 7.059 -6.776 1.00 25.00 H new ATOM 0 HH21 ARG A 10 7.982 5.393 -9.519 1.00 25.00 H new ATOM 0 HH22 ARG A 10 7.082 5.321 -8.000 1.00 25.00 H new ATOM 156 N ALA A 11 9.963 8.055 -14.267 1.00 25.00 N ATOM 157 CA ALA A 11 10.774 6.950 -14.732 1.00 25.00 C ATOM 158 C ALA A 11 11.916 7.446 -15.604 1.00 25.00 C ATOM 159 O ALA A 11 13.029 6.941 -15.591 1.00 25.00 O ATOM 160 CB ALA A 11 9.866 5.894 -15.491 1.00 25.00 C ATOM 0 H ALA A 11 9.009 8.055 -14.627 1.00 25.00 H new ATOM 0 HA ALA A 11 11.223 6.452 -13.873 1.00 25.00 H new ATOM 0 HB1 ALA A 11 10.484 5.066 -15.838 1.00 25.00 H new ATOM 0 HB2 ALA A 11 9.101 5.517 -14.812 1.00 25.00 H new ATOM 0 HB3 ALA A 11 9.388 6.373 -16.346 1.00 25.00 H new ATOM 166 N ALA A 12 11.653 8.550 -16.322 1.00 25.00 N ATOM 167 CA ALA A 12 12.687 9.125 -17.199 1.00 25.00 C ATOM 168 C ALA A 12 13.783 9.705 -16.344 1.00 25.00 C ATOM 169 O ALA A 12 14.986 9.520 -16.598 1.00 25.00 O ATOM 170 CB ALA A 12 12.139 10.199 -18.090 1.00 25.00 C ATOM 0 H ALA A 12 10.764 9.049 -16.316 1.00 25.00 H new ATOM 0 HA ALA A 12 13.068 8.328 -17.837 1.00 25.00 H new ATOM 0 HB1 ALA A 12 12.938 10.593 -18.718 1.00 25.00 H new ATOM 0 HB2 ALA A 12 11.353 9.783 -18.720 1.00 25.00 H new ATOM 0 HB3 ALA A 12 11.727 11.003 -17.480 1.00 25.00 H new ATOM 176 N LEU A 13 13.427 10.413 -15.295 1.00 25.00 N ATOM 177 CA LEU A 13 14.316 11.091 -14.334 1.00 25.00 C ATOM 178 C LEU A 13 15.093 10.025 -13.490 1.00 25.00 C ATOM 179 O LEU A 13 16.048 10.345 -12.766 1.00 25.00 O ATOM 180 CB LEU A 13 13.456 11.948 -13.417 1.00 25.00 C ATOM 181 CG LEU A 13 13.192 13.455 -13.688 1.00 25.00 C ATOM 182 CD1 LEU A 13 12.656 13.895 -15.070 1.00 75.00 C ATOM 183 CD2 LEU A 13 12.185 13.808 -12.518 1.00 75.00 C ATOM 0 H LEU A 13 12.444 10.549 -15.061 1.00 25.00 H new ATOM 0 HA LEU A 13 15.040 11.713 -14.861 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.480 11.465 -13.363 1.00 25.00 H new ATOM 0 HB3 LEU A 13 13.899 11.883 -12.423 1.00 25.00 H new ATOM 0 HG LEU A 13 14.139 13.994 -13.711 1.00 25.00 H new ATOM 0 HD11 LEU A 13 12.530 14.978 -15.084 1.00 75.00 H new ATOM 0 HD12 LEU A 13 13.364 13.602 -15.845 1.00 75.00 H new ATOM 0 HD13 LEU A 13 11.695 13.416 -15.257 1.00 75.00 H new ATOM 0 HD21 LEU A 13 11.906 14.860 -12.583 1.00 75.00 H new ATOM 0 HD22 LEU A 13 11.292 13.189 -12.607 1.00 75.00 H new ATOM 0 HD23 LEU A 13 12.663 13.618 -11.557 1.00 75.00 H new ATOM 195 N CYS A 14 14.586 8.803 -13.507 1.00 25.00 N ATOM 196 CA CYS A 14 15.184 7.728 -12.758 1.00 25.00 C ATOM 197 C CYS A 14 16.288 7.070 -13.635 1.00 25.00 C ATOM 198 O CYS A 14 17.097 6.299 -13.138 1.00 25.00 O ATOM 199 CB CYS A 14 14.111 6.729 -12.464 1.00 25.00 C ATOM 200 SG CYS A 14 13.666 6.531 -10.736 1.00 25.00 S ATOM 0 H CYS A 14 13.756 8.537 -14.037 1.00 25.00 H new ATOM 0 HA CYS A 14 15.627 8.089 -11.830 1.00 25.00 H new ATOM 0 HB2 CYS A 14 13.216 7.014 -13.018 1.00 25.00 H new ATOM 0 HB3 CYS A 14 14.430 5.760 -12.849 1.00 25.00 H new ATOM 205 N SER A 15 16.151 7.298 -14.942 1.00 25.00 N ATOM 206 CA SER A 15 16.988 6.682 -15.925 1.00 25.00 C ATOM 207 C SER A 15 18.336 7.435 -16.020 1.00 25.00 C ATOM 208 O SER A 15 18.277 8.623 -16.253 1.00 25.00 O ATOM 209 CB SER A 15 16.333 6.617 -17.309 1.00 25.00 C ATOM 210 OG SER A 15 17.213 5.960 -18.154 1.00 25.00 O ATOM 0 H SER A 15 15.446 7.923 -15.332 1.00 25.00 H new ATOM 0 HA SER A 15 17.154 5.655 -15.600 1.00 25.00 H new ATOM 0 HB2 SER A 15 15.382 6.087 -17.259 1.00 25.00 H new ATOM 0 HB3 SER A 15 16.121 7.619 -17.680 1.00 25.00 H new ATOM 0 HG SER A 15 16.822 5.900 -19.051 1.00 25.00 H new ATOM 216 N GLU A 16 19.473 6.840 -15.815 1.00 25.00 N ATOM 217 CA GLU A 16 20.733 7.574 -15.868 1.00 25.00 C ATOM 218 C GLU A 16 20.947 8.003 -17.280 1.00 25.00 C ATOM 219 O GLU A 16 21.607 8.976 -17.492 1.00 25.00 O ATOM 220 CB GLU A 16 21.872 6.730 -15.300 1.00 25.00 C ATOM 221 CG GLU A 16 21.804 6.435 -13.786 1.00 25.00 C ATOM 222 CD GLU A 16 22.926 5.488 -13.331 1.00 25.00 C ATOM 223 OE1 GLU A 16 23.484 4.772 -14.127 1.00 25.00 O ATOM 224 OE2 GLU A 16 23.260 5.449 -12.093 1.00 25.00 O1- ATOM 0 H GLU A 16 19.570 5.846 -15.608 1.00 25.00 H new ATOM 0 HA GLU A 16 20.703 8.466 -15.242 1.00 25.00 H new ATOM 0 HB2 GLU A 16 21.896 5.780 -15.835 1.00 25.00 H new ATOM 0 HB3 GLU A 16 22.814 7.238 -15.509 1.00 25.00 H new ATOM 0 HG2 GLU A 16 21.873 7.371 -13.231 1.00 25.00 H new ATOM 0 HG3 GLU A 16 20.837 5.993 -13.546 1.00 25.00 H new ATOM 231 N ALA A 17 20.443 7.242 -18.267 1.00 25.00 N ATOM 232 CA ALA A 17 20.558 7.555 -19.660 1.00 25.00 C ATOM 233 C ALA A 17 19.845 8.817 -20.117 1.00 25.00 C ATOM 234 O ALA A 17 20.317 9.492 -21.026 1.00 25.00 O ATOM 235 CB ALA A 17 19.988 6.381 -20.477 1.00 25.00 C ATOM 0 H ALA A 17 19.936 6.375 -18.090 1.00 25.00 H new ATOM 0 HA ALA A 17 21.622 7.729 -19.823 1.00 25.00 H new ATOM 0 HB1 ALA A 17 20.069 6.605 -21.541 1.00 25.00 H new ATOM 0 HB2 ALA A 17 20.551 5.475 -20.253 1.00 25.00 H new ATOM 0 HB3 ALA A 17 18.940 6.231 -20.216 1.00 25.00 H new ATOM 241 N PHE A 18 18.747 9.158 -19.467 1.00 25.00 N ATOM 242 CA PHE A 18 18.030 10.379 -19.796 1.00 25.00 C ATOM 243 C PHE A 18 18.840 11.575 -19.354 1.00 25.00 C ATOM 244 O PHE A 18 18.736 12.649 -19.976 1.00 25.00 O ATOM 245 CB PHE A 18 16.617 10.339 -19.115 1.00 25.00 C ATOM 246 CG PHE A 18 15.737 11.545 -19.502 1.00 25.00 C ATOM 247 CD1 PHE A 18 15.591 12.664 -18.713 1.00 50.00 C ATOM 248 CD2 PHE A 18 15.054 11.554 -20.736 1.00 50.00 C ATOM 249 CE1 PHE A 18 14.780 13.668 -18.960 1.00 25.00 C ATOM 250 CE2 PHE A 18 14.155 12.626 -21.056 1.00 25.00 C ATOM 251 CZ PHE A 18 14.034 13.734 -20.121 1.00 25.00 C ATOM 0 H PHE A 18 18.333 8.611 -18.712 1.00 25.00 H new ATOM 0 HA PHE A 18 17.884 10.462 -20.873 1.00 25.00 H new ATOM 0 HB2 PHE A 18 16.108 9.417 -19.397 1.00 25.00 H new ATOM 0 HB3 PHE A 18 16.740 10.317 -18.032 1.00 25.00 H new ATOM 0 HD1 PHE A 18 16.192 12.721 -17.818 1.00 50.00 H new ATOM 0 HD2 PHE A 18 15.208 10.752 -21.442 1.00 50.00 H new ATOM 0 HE1 PHE A 18 14.694 14.464 -18.235 1.00 25.00 H new ATOM 0 HE2 PHE A 18 13.581 12.611 -21.971 1.00 25.00 H new ATOM 0 HZ PHE A 18 13.387 14.574 -20.326 1.00 25.00 H new ATOM 261 N GLY A 19 19.741 11.397 -18.409 1.00 25.00 N ATOM 262 CA GLY A 19 20.680 12.437 -18.022 1.00 25.00 C ATOM 263 C GLY A 19 22.089 12.005 -18.345 1.00 25.00 C ATOM 264 O GLY A 19 23.060 12.424 -17.694 1.00 25.00 O ATOM 0 H GLY A 19 19.845 10.528 -17.886 1.00 25.00 H new ATOM 0 HA2 GLY A 19 20.446 13.364 -18.546 1.00 25.00 H new ATOM 0 HA3 GLY A 19 20.589 12.642 -16.955 1.00 25.00 H new ATOM 268 N PHE A 20 22.175 11.149 -19.354 1.00 25.00 N ATOM 269 CA PHE A 20 23.361 10.514 -19.920 1.00 25.00 C ATOM 270 C PHE A 20 24.200 9.622 -18.995 1.00 25.00 C ATOM 271 O PHE A 20 24.618 8.463 -19.304 1.00 25.00 O ATOM 272 CB PHE A 20 24.158 11.624 -20.618 1.00 25.00 C ATOM 273 CG PHE A 20 25.441 11.089 -21.185 1.00 25.00 C ATOM 274 CD1 PHE A 20 25.377 10.491 -22.467 1.00 50.00 C ATOM 275 CD2 PHE A 20 26.680 11.226 -20.577 1.00 50.00 C ATOM 276 CE1 PHE A 20 26.527 9.929 -23.034 1.00 25.00 C ATOM 277 CE2 PHE A 20 27.820 10.617 -21.140 1.00 25.00 C ATOM 278 CZ PHE A 20 27.750 9.974 -22.369 1.00 25.00 C ATOM 0 H PHE A 20 21.333 10.851 -19.847 1.00 25.00 H new ATOM 0 HA PHE A 20 23.027 9.753 -20.626 1.00 25.00 H new ATOM 0 HB2 PHE A 20 23.558 12.061 -21.416 1.00 25.00 H new ATOM 0 HB3 PHE A 20 24.375 12.422 -19.908 1.00 25.00 H new ATOM 0 HD1 PHE A 20 24.442 10.468 -23.007 1.00 50.00 H new ATOM 0 HD2 PHE A 20 26.772 11.802 -19.668 1.00 50.00 H new ATOM 0 HE1 PHE A 20 26.465 9.453 -24.002 1.00 25.00 H new ATOM 0 HE2 PHE A 20 28.760 10.651 -20.609 1.00 25.00 H new ATOM 0 HZ PHE A 20 28.628 9.517 -22.801 1.00 25.00 H new ATOM 288 N LEU A 21 24.559 10.181 -17.832 1.00 25.00 N ATOM 289 CA LEU A 21 25.222 9.429 -16.797 1.00 25.00 C ATOM 290 C LEU A 21 24.488 9.456 -15.438 1.00 25.00 C ATOM 291 O LEU A 21 24.871 8.836 -14.464 1.00 25.00 O ATOM 292 CB LEU A 21 26.666 9.908 -16.525 1.00 25.00 C ATOM 293 CG LEU A 21 27.685 9.365 -17.555 1.00 25.00 C ATOM 294 CD1 LEU A 21 28.992 10.161 -17.559 1.00 50.00 C ATOM 295 CD2 LEU A 21 27.910 7.857 -17.307 1.00 50.00 C ATOM 0 H LEU A 21 24.393 11.160 -17.598 1.00 25.00 H new ATOM 0 HA LEU A 21 25.223 8.416 -17.199 1.00 25.00 H new ATOM 0 HB2 LEU A 21 26.690 10.998 -16.537 1.00 25.00 H new ATOM 0 HB3 LEU A 21 26.965 9.594 -15.525 1.00 25.00 H new ATOM 0 HG LEU A 21 27.271 9.493 -18.555 1.00 25.00 H new ATOM 0 HD11 LEU A 21 29.672 9.739 -18.299 1.00 50.00 H new ATOM 0 HD12 LEU A 21 28.784 11.201 -17.809 1.00 50.00 H new ATOM 0 HD13 LEU A 21 29.452 10.110 -16.572 1.00 50.00 H new ATOM 0 HD21 LEU A 21 28.628 7.472 -18.032 1.00 50.00 H new ATOM 0 HD22 LEU A 21 28.297 7.708 -16.299 1.00 50.00 H new ATOM 0 HD23 LEU A 21 26.965 7.325 -17.415 1.00 50.00 H new ATOM 307 N ASN A 22 23.518 10.323 -15.400 1.00 25.00 N ATOM 308 CA ASN A 22 23.031 10.942 -14.187 1.00 25.00 C ATOM 309 C ASN A 22 21.527 10.883 -13.954 1.00 25.00 C ATOM 310 O ASN A 22 20.738 10.788 -14.885 1.00 25.00 O ATOM 311 CB ASN A 22 23.411 12.411 -14.107 1.00 25.00 C ATOM 312 CG ASN A 22 24.866 12.640 -14.358 1.00 25.00 C ATOM 313 OD1 ASN A 22 25.141 13.176 -15.382 1.00 25.00 O ATOM 314 ND2 ASN A 22 25.720 12.281 -13.425 1.00 25.00 N ATOM 0 H ASN A 22 23.024 10.633 -16.237 1.00 25.00 H new ATOM 0 HA ASN A 22 23.516 10.337 -13.421 1.00 25.00 H new ATOM 0 HB2 ASN A 22 22.827 12.974 -14.835 1.00 25.00 H new ATOM 0 HB3 ASN A 22 23.150 12.797 -13.122 1.00 25.00 H new ATOM 0 HD21 ASN A 22 26.717 12.459 -13.550 1.00 25.00 H new ATOM 0 HD22 ASN A 22 25.386 11.824 -12.576 1.00 25.00 H new ATOM 321 N LEU A 23 21.095 11.013 -12.702 1.00 25.00 N ATOM 322 CA LEU A 23 19.675 10.816 -12.313 1.00 25.00 C ATOM 323 C LEU A 23 19.397 11.581 -11.042 1.00 25.00 C ATOM 324 O LEU A 23 20.259 12.008 -10.267 1.00 25.00 O ATOM 325 CB LEU A 23 19.417 9.312 -12.075 1.00 25.00 C ATOM 326 CG LEU A 23 19.645 8.726 -10.679 1.00 25.00 C ATOM 327 CD1 LEU A 23 18.960 7.345 -10.716 1.00 50.00 C ATOM 328 CD2 LEU A 23 21.059 8.632 -10.203 1.00 50.00 C ATOM 0 H LEU A 23 21.705 11.256 -11.922 1.00 25.00 H new ATOM 0 HA LEU A 23 19.021 11.177 -13.107 1.00 25.00 H new ATOM 0 HB2 LEU A 23 18.382 9.109 -12.351 1.00 25.00 H new ATOM 0 HB3 LEU A 23 20.047 8.757 -12.770 1.00 25.00 H new ATOM 0 HG LEU A 23 19.225 9.412 -9.943 1.00 25.00 H new ATOM 0 HD11 LEU A 23 19.077 6.855 -9.749 1.00 50.00 H new ATOM 0 HD12 LEU A 23 17.899 7.471 -10.933 1.00 50.00 H new ATOM 0 HD13 LEU A 23 19.419 6.732 -11.492 1.00 50.00 H new ATOM 0 HD21 LEU A 23 21.078 8.201 -9.202 1.00 50.00 H new ATOM 0 HD22 LEU A 23 21.630 7.999 -10.882 1.00 50.00 H new ATOM 0 HD23 LEU A 23 21.501 9.628 -10.177 1.00 50.00 H new ATOM 340 N ASN A 24 18.137 11.848 -10.883 1.00 25.00 N ATOM 341 CA ASN A 24 17.642 12.704 -9.817 1.00 25.00 C ATOM 342 C ASN A 24 16.335 12.276 -9.252 1.00 25.00 C ATOM 343 O ASN A 24 15.471 13.068 -8.797 1.00 25.00 O ATOM 344 CB ASN A 24 17.535 14.181 -10.394 1.00 25.00 C ATOM 345 CG ASN A 24 16.475 14.342 -11.450 1.00 25.00 C ATOM 346 OD1 ASN A 24 16.625 14.002 -12.594 1.00 25.00 O ATOM 347 ND2 ASN A 24 15.455 15.028 -11.112 1.00 25.00 N ATOM 0 H ASN A 24 17.405 11.480 -11.490 1.00 25.00 H new ATOM 0 HA ASN A 24 18.345 12.643 -8.986 1.00 25.00 H new ATOM 0 HB2 ASN A 24 17.326 14.868 -9.574 1.00 25.00 H new ATOM 0 HB3 ASN A 24 18.499 14.469 -10.813 1.00 25.00 H new ATOM 0 HD21 ASN A 24 14.762 15.291 -11.813 1.00 25.00 H new ATOM 0 HD22 ASN A 24 15.332 15.314 -10.141 1.00 25.00 H new ATOM 354 N CYS A 25 16.151 10.960 -9.287 1.00 25.00 N ATOM 355 CA CYS A 25 14.897 10.387 -8.811 1.00 25.00 C ATOM 356 C CYS A 25 14.749 10.427 -7.288 1.00 25.00 C ATOM 357 O CYS A 25 13.595 10.356 -6.770 1.00 25.00 O ATOM 358 CB CYS A 25 14.847 8.938 -9.129 1.00 25.00 C ATOM 359 SG CYS A 25 13.343 8.431 -10.034 1.00 25.00 S ATOM 0 H CYS A 25 16.834 10.285 -9.630 1.00 25.00 H new ATOM 0 HA CYS A 25 14.121 10.980 -9.295 1.00 25.00 H new ATOM 0 HB2 CYS A 25 15.722 8.676 -9.723 1.00 25.00 H new ATOM 0 HB3 CYS A 25 14.910 8.370 -8.201 1.00 25.00 H new ATOM 364 N GLY A 26 15.857 10.556 -6.590 1.00 25.00 N ATOM 365 CA GLY A 26 15.843 10.426 -5.113 1.00 25.00 C ATOM 366 C GLY A 26 16.130 9.001 -4.876 1.00 25.00 C ATOM 367 O GLY A 26 15.626 8.141 -5.579 1.00 25.00 O ATOM 0 H GLY A 26 16.774 10.748 -6.994 1.00 25.00 H new ATOM 0 HA2 GLY A 26 16.593 11.066 -4.649 1.00 25.00 H new ATOM 0 HA3 GLY A 26 14.877 10.713 -4.697 1.00 25.00 H new ATOM 371 N SER A 27 16.958 8.765 -3.875 1.00 25.00 N ATOM 372 CA SER A 27 17.280 7.367 -3.427 1.00 25.00 C ATOM 373 C SER A 27 16.112 6.567 -3.027 1.00 25.00 C ATOM 374 O SER A 27 16.197 5.350 -2.862 1.00 25.00 O ATOM 375 CB SER A 27 18.244 7.496 -2.277 1.00 25.00 C ATOM 376 OG SER A 27 17.539 8.305 -1.331 1.00 25.00 O ATOM 0 H SER A 27 17.430 9.496 -3.343 1.00 25.00 H new ATOM 0 HA SER A 27 17.703 6.825 -4.273 1.00 25.00 H new ATOM 0 HB2 SER A 27 18.500 6.523 -1.859 1.00 25.00 H new ATOM 0 HB3 SER A 27 19.177 7.965 -2.588 1.00 25.00 H new ATOM 0 HG SER A 27 17.776 8.026 -0.422 1.00 25.00 H new ATOM 382 N VAL A 28 15.009 7.259 -2.987 1.00 25.00 N ATOM 383 CA VAL A 28 13.648 6.759 -2.736 1.00 25.00 C ATOM 384 C VAL A 28 13.288 5.715 -3.786 1.00 25.00 C ATOM 385 O VAL A 28 12.507 4.780 -3.457 1.00 25.00 O ATOM 386 CB VAL A 28 12.684 7.992 -2.933 1.00 25.00 C ATOM 387 CG1 VAL A 28 11.294 7.775 -2.306 1.00 50.00 C ATOM 388 CG2 VAL A 28 13.333 9.268 -2.229 1.00 50.00 C ATOM 0 H VAL A 28 15.017 8.268 -3.138 1.00 25.00 H new ATOM 0 HA VAL A 28 13.570 6.319 -1.742 1.00 25.00 H new ATOM 0 HB VAL A 28 12.557 8.127 -4.007 1.00 25.00 H new ATOM 0 HG11 VAL A 28 10.677 8.658 -2.475 1.00 50.00 H new ATOM 0 HG12 VAL A 28 10.819 6.907 -2.764 1.00 50.00 H new ATOM 0 HG13 VAL A 28 11.401 7.606 -1.234 1.00 50.00 H new ATOM 0 HG21 VAL A 28 12.676 10.128 -2.358 1.00 50.00 H new ATOM 0 HG22 VAL A 28 13.466 9.069 -1.166 1.00 50.00 H new ATOM 0 HG23 VAL A 28 14.302 9.480 -2.682 1.00 50.00 H new ATOM 398 N MET A 29 13.813 5.830 -4.999 1.00 25.00 N ATOM 399 CA MET A 29 13.566 4.809 -6.008 1.00 25.00 C ATOM 400 C MET A 29 14.044 3.379 -5.743 1.00 25.00 C ATOM 401 O MET A 29 13.807 2.510 -6.617 1.00 25.00 O ATOM 402 CB MET A 29 14.225 5.296 -7.289 1.00 25.00 C ATOM 403 CG MET A 29 15.745 5.130 -7.271 1.00 25.00 C ATOM 404 SD MET A 29 16.420 3.642 -8.147 1.00 25.00 S ATOM 405 CE MET A 29 16.418 4.136 -9.831 1.00 25.00 C ATOM 0 H MET A 29 14.402 6.605 -5.304 1.00 25.00 H new ATOM 0 HA MET A 29 12.481 4.706 -6.036 1.00 25.00 H new ATOM 0 HB2 MET A 29 13.814 4.747 -8.136 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.980 6.347 -7.442 1.00 25.00 H new ATOM 0 HG2 MET A 29 16.191 6.020 -7.715 1.00 25.00 H new ATOM 0 HG3 MET A 29 16.073 5.093 -6.232 1.00 25.00 H new ATOM 0 HE1 MET A 29 16.992 3.421 -10.421 1.00 25.00 H new ATOM 0 HE2 MET A 29 15.393 4.170 -10.199 1.00 25.00 H new ATOM 0 HE3 MET A 29 16.869 5.124 -9.921 1.00 25.00 H new ATOM 415 N TYR A 30 14.633 3.109 -4.600 1.00 25.00 N ATOM 416 CA TYR A 30 14.856 1.771 -4.099 1.00 25.00 C ATOM 417 C TYR A 30 13.548 1.084 -3.761 1.00 25.00 C ATOM 418 O TYR A 30 13.334 -0.106 -4.138 1.00 25.00 O ATOM 419 CB TYR A 30 15.797 1.790 -2.905 1.00 25.00 C ATOM 420 CG TYR A 30 15.859 0.492 -2.142 1.00 25.00 C ATOM 421 CD1 TYR A 30 16.450 -0.658 -2.677 1.00 50.00 C ATOM 422 CD2 TYR A 30 15.218 0.417 -0.827 1.00 50.00 C ATOM 423 CE1 TYR A 30 16.375 -1.900 -1.941 1.00 25.00 C ATOM 424 CE2 TYR A 30 15.183 -0.739 -0.124 1.00 25.00 C ATOM 425 CZ TYR A 30 15.768 -1.896 -0.644 1.00 25.00 C ATOM 426 OH TYR A 30 15.862 -3.044 0.028 1.00 25.00 O ATOM 0 H TYR A 30 14.981 3.836 -3.975 1.00 25.00 H new ATOM 0 HA TYR A 30 15.332 1.192 -4.890 1.00 25.00 H new ATOM 0 HB2 TYR A 30 16.799 2.042 -3.251 1.00 25.00 H new ATOM 0 HB3 TYR A 30 15.486 2.583 -2.225 1.00 25.00 H new ATOM 0 HD1 TYR A 30 16.957 -0.618 -3.630 1.00 50.00 H new ATOM 0 HD2 TYR A 30 14.764 1.303 -0.409 1.00 50.00 H new ATOM 0 HE1 TYR A 30 16.769 -2.813 -2.361 1.00 25.00 H new ATOM 0 HE2 TYR A 30 14.701 -0.767 0.842 1.00 25.00 H new ATOM 0 HH TYR A 30 15.423 -2.950 0.899 1.00 25.00 H new ATOM 436 N GLU A 31 12.607 1.841 -3.138 1.00 25.00 N ATOM 437 CA GLU A 31 11.261 1.361 -2.761 1.00 25.00 C ATOM 438 C GLU A 31 10.148 2.350 -2.981 1.00 25.00 C ATOM 439 O GLU A 31 9.437 2.701 -2.016 1.00 25.00 O ATOM 440 CB GLU A 31 11.346 0.806 -1.259 1.00 25.00 C ATOM 441 CG GLU A 31 11.649 1.761 -0.046 1.00 25.00 C ATOM 442 CD GLU A 31 11.583 1.000 1.324 1.00 25.00 C ATOM 443 OE1 GLU A 31 10.537 0.991 1.992 1.00 25.00 O ATOM 444 OE2 GLU A 31 12.682 0.540 1.763 1.00 25.00 O1- ATOM 0 H GLU A 31 12.769 2.815 -2.882 1.00 25.00 H new ATOM 0 HA GLU A 31 10.977 0.556 -3.439 1.00 25.00 H new ATOM 0 HB2 GLU A 31 10.395 0.317 -1.048 1.00 25.00 H new ATOM 0 HB3 GLU A 31 12.112 0.030 -1.251 1.00 25.00 H new ATOM 0 HG2 GLU A 31 12.638 2.203 -0.169 1.00 25.00 H new ATOM 0 HG3 GLU A 31 10.932 2.582 -0.041 1.00 25.00 H new ATOM 451 N PRO A 32 9.927 2.875 -4.166 1.00 25.00 N ATOM 452 CA PRO A 32 9.027 4.032 -4.267 1.00 25.00 C ATOM 453 C PRO A 32 7.550 3.866 -4.083 1.00 25.00 C ATOM 454 O PRO A 32 6.897 4.827 -3.734 1.00 25.00 O ATOM 455 CB PRO A 32 9.326 4.592 -5.664 1.00 25.00 C ATOM 456 CG PRO A 32 9.706 3.418 -6.464 1.00 25.00 C ATOM 457 CD PRO A 32 10.465 2.479 -5.514 1.00 25.00 C ATOM 0 HA PRO A 32 9.241 4.669 -3.409 1.00 25.00 H new ATOM 0 HB2 PRO A 32 8.454 5.092 -6.085 1.00 25.00 H new ATOM 0 HB3 PRO A 32 10.131 5.327 -5.632 1.00 25.00 H new ATOM 0 HG2 PRO A 32 8.825 2.926 -6.876 1.00 25.00 H new ATOM 0 HG3 PRO A 32 10.333 3.708 -7.307 1.00 25.00 H new ATOM 0 HD2 PRO A 32 10.268 1.430 -5.737 1.00 25.00 H new ATOM 0 HD3 PRO A 32 11.544 2.622 -5.578 1.00 25.00 H new ATOM 465 N GLN A 33 6.989 2.649 -4.244 1.00 25.00 N ATOM 466 CA GLN A 33 5.544 2.531 -3.932 1.00 25.00 C ATOM 467 C GLN A 33 5.275 2.063 -2.511 1.00 25.00 C ATOM 468 O GLN A 33 4.155 1.909 -2.088 1.00 25.00 O ATOM 469 CB GLN A 33 4.850 1.592 -4.962 1.00 25.00 C ATOM 470 CG GLN A 33 4.770 2.196 -6.265 1.00 25.00 C ATOM 471 CD GLN A 33 4.055 1.257 -7.246 1.00 25.00 C ATOM 472 OE1 GLN A 33 2.992 0.771 -7.044 1.00 25.00 O ATOM 473 NE2 GLN A 33 4.660 1.039 -8.373 1.00 25.00 N ATOM 0 H GLN A 33 7.461 1.801 -4.559 1.00 25.00 H new ATOM 0 HA GLN A 33 5.120 3.532 -4.008 1.00 25.00 H new ATOM 0 HB2 GLN A 33 5.402 0.655 -5.029 1.00 25.00 H new ATOM 0 HB3 GLN A 33 3.847 1.347 -4.613 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.234 3.143 -6.202 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.772 2.421 -6.631 1.00 25.00 H new ATOM 0 HE21 GLN A 33 5.574 1.455 -8.550 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.221 0.451 -9.082 1.00 25.00 H new ATOM 482 N SER A 34 6.371 1.769 -1.771 1.00 25.00 N ATOM 483 CA SER A 34 6.213 1.278 -0.409 1.00 25.00 C ATOM 484 C SER A 34 5.870 2.405 0.542 1.00 25.00 C ATOM 485 O SER A 34 6.737 3.110 1.066 1.00 25.00 O ATOM 486 CB SER A 34 7.487 0.603 0.094 1.00 25.00 C ATOM 487 OG SER A 34 7.297 0.051 1.389 1.00 25.00 O ATOM 0 H SER A 34 7.335 1.863 -2.092 1.00 25.00 H new ATOM 0 HA SER A 34 5.400 0.552 -0.434 1.00 25.00 H new ATOM 0 HB2 SER A 34 7.784 -0.184 -0.600 1.00 25.00 H new ATOM 0 HB3 SER A 34 8.300 1.328 0.120 1.00 25.00 H new ATOM 0 HG SER A 34 8.127 -0.377 1.687 1.00 25.00 H new ATOM 493 N LEU A 35 4.576 2.677 0.650 1.00 25.00 N ATOM 494 CA LEU A 35 4.125 3.880 1.297 1.00 25.00 C ATOM 495 C LEU A 35 3.513 3.486 2.633 1.00 25.00 C ATOM 496 O LEU A 35 2.268 3.534 2.753 1.00 25.00 O ATOM 497 CB LEU A 35 3.155 4.664 0.389 1.00 25.00 C ATOM 498 CG LEU A 35 3.500 5.139 -1.030 1.00 25.00 C ATOM 499 CD1 LEU A 35 2.269 5.839 -1.570 1.00 50.00 C ATOM 500 CD2 LEU A 35 4.738 6.008 -1.192 1.00 50.00 C ATOM 0 H LEU A 35 3.831 2.077 0.296 1.00 25.00 H new ATOM 0 HA LEU A 35 4.956 4.560 1.483 1.00 25.00 H new ATOM 0 HB2 LEU A 35 2.261 4.047 0.294 1.00 25.00 H new ATOM 0 HB3 LEU A 35 2.869 5.556 0.947 1.00 25.00 H new ATOM 0 HG LEU A 35 3.774 4.249 -1.597 1.00 25.00 H new ATOM 0 HD11 LEU A 35 2.467 6.196 -2.581 1.00 50.00 H new ATOM 0 HD12 LEU A 35 1.432 5.141 -1.589 1.00 50.00 H new ATOM 0 HD13 LEU A 35 2.021 6.685 -0.929 1.00 50.00 H new ATOM 0 HD21 LEU A 35 4.863 6.271 -2.242 1.00 50.00 H new ATOM 0 HD22 LEU A 35 4.624 6.917 -0.601 1.00 50.00 H new ATOM 0 HD23 LEU A 35 5.615 5.459 -0.848 1.00 50.00 H new ATOM 512 N GLU A 36 4.265 3.234 3.674 1.00 25.00 N ATOM 513 CA GLU A 36 3.697 3.003 5.016 1.00 25.00 C ATOM 514 C GLU A 36 4.473 3.594 6.114 1.00 25.00 C ATOM 515 O GLU A 36 5.722 3.543 6.025 1.00 25.00 O ATOM 516 CB GLU A 36 3.591 1.501 5.234 1.00 25.00 C ATOM 517 CG GLU A 36 3.167 0.582 4.015 1.00 25.00 C ATOM 518 CD GLU A 36 2.855 -0.853 4.502 1.00 25.00 C ATOM 519 OE1 GLU A 36 1.746 -1.114 5.026 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.650 -1.781 4.205 1.00 25.00 O1- ATOM 0 H GLU A 36 5.283 3.179 3.636 1.00 25.00 H new ATOM 0 HA GLU A 36 2.725 3.496 5.037 1.00 25.00 H new ATOM 0 HB2 GLU A 36 4.559 1.150 5.591 1.00 25.00 H new ATOM 0 HB3 GLU A 36 2.875 1.334 6.038 1.00 25.00 H new ATOM 0 HG2 GLU A 36 2.291 1.003 3.521 1.00 25.00 H new ATOM 0 HG3 GLU A 36 3.968 0.556 3.276 1.00 25.00 H new ATOM 527 N ALA A 37 3.789 4.219 7.033 1.00 25.00 N ATOM 528 CA ALA A 37 4.272 4.676 8.342 1.00 25.00 C ATOM 529 C ALA A 37 3.026 4.626 9.237 1.00 25.00 C ATOM 530 O ALA A 37 1.896 4.567 8.729 1.00 25.00 O ATOM 531 CB ALA A 37 4.811 6.149 8.265 1.00 25.00 C ATOM 0 H ALA A 37 2.805 4.447 6.893 1.00 25.00 H new ATOM 0 HA ALA A 37 5.095 4.063 8.711 1.00 25.00 H new ATOM 0 HB1 ALA A 37 5.162 6.460 9.249 1.00 25.00 H new ATOM 0 HB2 ALA A 37 5.635 6.198 7.554 1.00 25.00 H new ATOM 0 HB3 ALA A 37 4.010 6.813 7.939 1.00 25.00 H new ATOM 537 N LYS A 38 3.192 4.713 10.533 1.00 25.00 N ATOM 538 CA LYS A 38 2.042 4.920 11.410 1.00 25.00 C ATOM 539 C LYS A 38 1.773 6.371 11.469 1.00 25.00 C ATOM 540 O LYS A 38 2.665 7.193 11.423 1.00 25.00 O ATOM 541 CB LYS A 38 2.293 4.425 12.837 1.00 25.00 C ATOM 542 CG LYS A 38 1.039 4.390 13.723 1.00 25.00 C ATOM 543 CD LYS A 38 1.325 3.543 14.992 1.00 25.00 C ATOM 544 CE LYS A 38 0.087 3.395 15.835 1.00 25.00 C ATOM 545 NZ LYS A 38 0.189 2.487 17.063 1.00 25.00 N1+ ATOM 0 H LYS A 38 4.092 4.646 11.009 1.00 25.00 H new ATOM 0 HA LYS A 38 1.203 4.355 11.004 1.00 25.00 H new ATOM 0 HB2 LYS A 38 2.720 3.423 12.792 1.00 25.00 H new ATOM 0 HB3 LYS A 38 3.038 5.068 13.306 1.00 25.00 H new ATOM 0 HG2 LYS A 38 0.752 5.403 14.006 1.00 25.00 H new ATOM 0 HG3 LYS A 38 0.202 3.964 13.170 1.00 25.00 H new ATOM 0 HD2 LYS A 38 1.690 2.558 14.701 1.00 25.00 H new ATOM 0 HD3 LYS A 38 2.113 4.015 15.578 1.00 25.00 H new ATOM 0 HE2 LYS A 38 -0.215 4.387 16.171 1.00 25.00 H new ATOM 0 HE3 LYS A 38 -0.713 3.016 15.199 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 -0.726 2.468 17.558 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 0.440 1.523 16.762 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 0.922 2.851 17.704 1.00 25.00 H new ATOM 559 N LYS A 39 0.483 6.746 11.593 1.00 25.00 N ATOM 560 CA LYS A 39 0.041 8.098 11.872 1.00 25.00 C ATOM 561 C LYS A 39 0.610 8.603 13.173 1.00 25.00 C ATOM 562 O LYS A 39 0.762 7.839 14.126 1.00 25.00 O ATOM 563 CB LYS A 39 -1.489 8.158 11.961 1.00 25.00 C ATOM 564 CG LYS A 39 -2.091 9.575 11.848 1.00 25.00 C ATOM 565 CD LYS A 39 -3.618 9.484 11.959 1.00 25.00 C ATOM 566 CE LYS A 39 -4.225 10.817 11.579 1.00 25.00 C ATOM 567 NZ LYS A 39 -5.754 10.663 11.424 1.00 25.00 N1+ ATOM 0 H LYS A 39 -0.289 6.087 11.496 1.00 25.00 H new ATOM 0 HA LYS A 39 0.395 8.725 11.054 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -1.909 7.536 11.170 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -1.801 7.721 12.910 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -1.695 10.215 12.636 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -1.810 10.028 10.897 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -3.996 8.699 11.304 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -3.905 9.217 12.976 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -4.000 11.562 12.342 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -3.789 11.174 10.646 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -6.171 11.579 11.163 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -5.959 9.965 10.681 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -6.163 10.341 12.324 1.00 25.00 H new ATOM 581 N GLY A 40 0.867 9.923 13.225 1.00 25.00 N ATOM 582 CA GLY A 40 1.385 10.626 14.337 1.00 25.00 C ATOM 583 C GLY A 40 0.363 11.556 14.920 1.00 25.00 C ATOM 584 O GLY A 40 -0.814 11.442 14.784 1.00 25.00 O ATOM 0 H GLY A 40 0.697 10.534 12.426 1.00 25.00 H new ATOM 0 HA2 GLY A 40 1.710 9.917 15.098 1.00 25.00 H new ATOM 0 HA3 GLY A 40 2.265 11.194 14.033 1.00 25.00 H new ATOM 588 N PHE A 41 0.960 12.524 15.571 1.00 25.00 N ATOM 589 CA PHE A 41 0.337 13.641 16.257 1.00 25.00 C ATOM 590 C PHE A 41 1.093 14.879 15.715 1.00 25.00 C ATOM 591 O PHE A 41 2.213 14.667 15.168 1.00 25.00 O ATOM 592 CB PHE A 41 0.648 13.489 17.725 1.00 25.00 C ATOM 593 CG PHE A 41 0.065 12.235 18.279 1.00 25.00 C ATOM 594 CD1 PHE A 41 0.877 11.086 18.375 1.00 25.00 C ATOM 595 CD2 PHE A 41 -1.251 12.176 18.740 1.00 25.00 C ATOM 596 CE1 PHE A 41 0.387 9.913 18.938 1.00 25.00 C ATOM 597 CE2 PHE A 41 -1.799 10.997 19.286 1.00 25.00 C ATOM 598 CZ PHE A 41 -0.995 9.899 19.395 1.00 25.00 C ATOM 0 H PHE A 41 1.977 12.558 15.643 1.00 25.00 H new ATOM 0 HA PHE A 41 -0.741 13.709 16.112 1.00 25.00 H new ATOM 0 HB2 PHE A 41 1.728 13.485 17.871 1.00 25.00 H new ATOM 0 HB3 PHE A 41 0.256 14.347 18.272 1.00 25.00 H new ATOM 0 HD1 PHE A 41 1.892 11.118 18.007 1.00 25.00 H new ATOM 0 HD2 PHE A 41 -1.868 13.060 18.677 1.00 25.00 H new ATOM 0 HE1 PHE A 41 1.013 9.038 19.033 1.00 25.00 H new ATOM 0 HE2 PHE A 41 -2.829 10.963 19.610 1.00 25.00 H new ATOM 0 HZ PHE A 41 -1.395 8.996 19.832 1.00 25.00 H new ATOM 608 N PRO A 42 0.605 16.088 15.966 1.00 25.00 N ATOM 609 CA PRO A 42 -0.663 16.536 16.563 1.00 25.00 C ATOM 610 C PRO A 42 -1.877 16.931 15.676 1.00 25.00 C ATOM 611 O PRO A 42 -2.943 17.176 16.192 1.00 25.00 O ATOM 612 CB PRO A 42 -0.154 17.749 17.295 1.00 25.00 C ATOM 613 CG PRO A 42 0.772 18.423 16.324 1.00 25.00 C ATOM 614 CD PRO A 42 1.455 17.248 15.638 1.00 25.00 C ATOM 0 HA PRO A 42 -1.123 15.707 17.101 1.00 25.00 H new ATOM 0 HB2 PRO A 42 -0.972 18.409 17.584 1.00 25.00 H new ATOM 0 HB3 PRO A 42 0.368 17.469 18.210 1.00 25.00 H new ATOM 0 HG2 PRO A 42 0.229 19.046 15.613 1.00 25.00 H new ATOM 0 HG3 PRO A 42 1.490 19.068 16.831 1.00 25.00 H new ATOM 0 HD2 PRO A 42 1.521 17.400 14.561 1.00 25.00 H new ATOM 0 HD3 PRO A 42 2.473 17.111 16.004 1.00 25.00 H new ATOM 622 N HIS A 43 -1.654 17.105 14.381 1.00 25.00 N ATOM 623 CA HIS A 43 -2.698 17.308 13.366 1.00 25.00 C ATOM 624 C HIS A 43 -3.039 18.780 13.257 1.00 25.00 C ATOM 625 O HIS A 43 -3.337 19.226 12.171 1.00 25.00 O ATOM 626 CB HIS A 43 -4.012 16.497 13.507 1.00 25.00 C ATOM 627 CG HIS A 43 -4.853 16.474 12.264 1.00 25.00 C ATOM 628 ND1 HIS A 43 -4.654 15.593 11.244 1.00 25.00 N ATOM 629 CD2 HIS A 43 -6.036 17.109 11.928 1.00 25.00 C ATOM 630 CE1 HIS A 43 -5.496 15.920 10.239 1.00 25.00 C ATOM 631 NE2 HIS A 43 -6.330 16.805 10.629 1.00 25.00 N ATOM 0 H HIS A 43 -0.713 17.110 13.987 1.00 25.00 H new ATOM 0 HA HIS A 43 -2.236 16.912 12.462 1.00 25.00 H new ATOM 0 HB2 HIS A 43 -3.766 15.472 13.786 1.00 25.00 H new ATOM 0 HB3 HIS A 43 -4.600 16.917 14.323 1.00 25.00 H new ATOM 0 HD2 HIS A 43 -6.625 17.737 12.580 1.00 25.00 H new ATOM 0 HE1 HIS A 43 -5.468 15.494 9.247 1.00 25.00 H new ATOM 0 HE2 HIS A 43 -7.081 17.212 10.071 1.00 25.00 H new ATOM 639 N SER A 44 -3.000 19.503 14.381 1.00 25.00 N ATOM 640 CA SER A 44 -3.305 20.951 14.478 1.00 25.00 C ATOM 641 C SER A 44 -2.457 21.697 13.446 1.00 25.00 C ATOM 642 O SER A 44 -2.975 22.240 12.482 1.00 25.00 O ATOM 643 CB SER A 44 -3.012 21.329 15.918 1.00 25.00 C ATOM 644 OG SER A 44 -2.574 20.184 16.630 1.00 25.00 O ATOM 0 H SER A 44 -2.749 19.093 15.280 1.00 25.00 H new ATOM 0 HA SER A 44 -4.339 21.211 14.251 1.00 25.00 H new ATOM 0 HB2 SER A 44 -2.248 22.106 15.953 1.00 25.00 H new ATOM 0 HB3 SER A 44 -3.906 21.741 16.386 1.00 25.00 H new ATOM 0 HG SER A 44 -2.384 20.430 17.559 1.00 25.00 H new ATOM 650 N GLY A 45 -1.185 21.927 13.710 1.00 25.00 N ATOM 651 CA GLY A 45 -0.271 22.684 12.857 1.00 25.00 C ATOM 652 C GLY A 45 0.035 21.897 11.583 1.00 25.00 C ATOM 653 O GLY A 45 -0.292 20.705 11.543 1.00 25.00 O ATOM 0 H GLY A 45 -0.736 21.580 14.558 1.00 25.00 H new ATOM 0 HA2 GLY A 45 -0.714 23.647 12.601 1.00 25.00 H new ATOM 0 HA3 GLY A 45 0.653 22.892 13.396 1.00 25.00 H new ATOM 657 N PRO A 46 0.575 22.521 10.544 1.00 25.00 N ATOM 658 CA PRO A 46 0.806 21.648 9.401 1.00 25.00 C ATOM 659 C PRO A 46 1.926 20.600 9.528 1.00 25.00 C ATOM 660 O PRO A 46 1.954 19.566 8.889 1.00 25.00 O ATOM 661 CB PRO A 46 1.057 22.654 8.265 1.00 25.00 C ATOM 662 CG PRO A 46 1.706 23.735 8.985 1.00 25.00 C ATOM 663 CD PRO A 46 0.899 23.922 10.197 1.00 25.00 C ATOM 0 HA PRO A 46 -0.045 20.983 9.252 1.00 25.00 H new ATOM 0 HB2 PRO A 46 1.693 22.241 7.482 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.131 22.975 7.787 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.737 23.482 9.232 1.00 25.00 H new ATOM 0 HG3 PRO A 46 1.736 24.646 8.387 1.00 25.00 H new ATOM 0 HD2 PRO A 46 1.455 24.424 10.989 1.00 25.00 H new ATOM 0 HD3 PRO A 46 0.005 24.517 10.009 1.00 25.00 H new ATOM 671 N ALA A 47 2.862 20.902 10.432 1.00 25.00 N ATOM 672 CA ALA A 47 3.863 19.911 10.879 1.00 25.00 C ATOM 673 C ALA A 47 3.052 18.890 11.723 1.00 25.00 C ATOM 674 O ALA A 47 2.559 19.195 12.810 1.00 25.00 O ATOM 675 CB ALA A 47 4.973 20.568 11.681 1.00 25.00 C ATOM 0 H ALA A 47 2.953 21.818 10.871 1.00 25.00 H new ATOM 0 HA ALA A 47 4.371 19.427 10.045 1.00 25.00 H new ATOM 0 HB1 ALA A 47 5.692 19.811 11.994 1.00 25.00 H new ATOM 0 HB2 ALA A 47 5.476 21.313 11.064 1.00 25.00 H new ATOM 0 HB3 ALA A 47 4.549 21.052 12.561 1.00 25.00 H new ATOM 681 N ASP A 48 2.985 17.684 11.172 1.00 25.00 N ATOM 682 CA ASP A 48 2.312 16.521 11.719 1.00 25.00 C ATOM 683 C ASP A 48 2.936 15.193 11.337 1.00 25.00 C ATOM 684 O ASP A 48 3.270 14.957 10.187 1.00 25.00 O ATOM 685 CB ASP A 48 0.856 16.504 11.259 1.00 25.00 C ATOM 686 CG ASP A 48 0.148 15.333 11.738 1.00 25.00 C ATOM 687 OD1 ASP A 48 -0.003 15.087 12.959 1.00 25.00 O ATOM 688 OD2 ASP A 48 -0.379 14.644 10.887 1.00 25.00 O1- ATOM 0 H ASP A 48 3.428 17.484 10.275 1.00 25.00 H new ATOM 0 HA ASP A 48 2.403 16.620 12.801 1.00 25.00 H new ATOM 0 HB2 ASP A 48 0.353 17.403 11.616 1.00 25.00 H new ATOM 0 HB3 ASP A 48 0.820 16.529 10.170 1.00 25.00 H new ATOM 693 N GLY A 49 3.193 14.380 12.356 1.00 25.00 N ATOM 694 CA GLY A 49 3.812 13.095 12.206 1.00 25.00 C ATOM 695 C GLY A 49 5.270 12.981 11.767 1.00 25.00 C ATOM 696 O GLY A 49 5.915 12.017 12.217 1.00 25.00 O ATOM 0 H GLY A 49 2.967 14.613 13.323 1.00 25.00 H new ATOM 0 HA2 GLY A 49 3.724 12.582 13.164 1.00 25.00 H new ATOM 0 HA3 GLY A 49 3.215 12.533 11.488 1.00 25.00 H new ATOM 700 N GLN A 50 5.813 13.897 11.009 1.00 25.00 N ATOM 701 CA GLN A 50 7.257 13.898 10.571 1.00 25.00 C ATOM 702 C GLN A 50 7.961 14.813 11.572 1.00 25.00 C ATOM 703 O GLN A 50 8.791 15.619 11.212 1.00 25.00 O ATOM 704 CB GLN A 50 7.401 14.244 9.092 1.00 25.00 C ATOM 705 CG GLN A 50 6.675 13.239 8.204 1.00 25.00 C ATOM 706 CD GLN A 50 5.195 13.572 8.014 1.00 25.00 C ATOM 707 OE1 GLN A 50 4.878 14.568 7.406 1.00 25.00 O ATOM 708 NE2 GLN A 50 4.324 12.662 8.467 1.00 25.00 N ATOM 0 H GLN A 50 5.287 14.694 10.652 1.00 25.00 H new ATOM 0 HA GLN A 50 7.734 12.918 10.600 1.00 25.00 H new ATOM 0 HB2 GLN A 50 7.003 15.243 8.912 1.00 25.00 H new ATOM 0 HB3 GLN A 50 8.458 14.269 8.825 1.00 25.00 H new ATOM 0 HG2 GLN A 50 7.162 13.205 7.230 1.00 25.00 H new ATOM 0 HG3 GLN A 50 6.765 12.244 8.641 1.00 25.00 H new ATOM 0 HE21 GLN A 50 4.660 11.843 8.974 1.00 25.00 H new ATOM 0 HE22 GLN A 50 3.325 12.788 8.305 1.00 25.00 H new ATOM 717 N ILE A 51 7.568 14.729 12.857 1.00 25.00 N ATOM 718 CA ILE A 51 8.089 15.576 13.911 1.00 25.00 C ATOM 719 C ILE A 51 9.603 15.363 14.055 1.00 25.00 C ATOM 720 O ILE A 51 10.375 16.304 14.153 1.00 25.00 O ATOM 721 CB ILE A 51 7.333 15.354 15.234 1.00 25.00 C ATOM 722 CG1 ILE A 51 5.798 15.491 14.973 1.00 25.00 C ATOM 723 CG2 ILE A 51 7.794 16.250 16.389 1.00 25.00 C ATOM 724 CD1 ILE A 51 5.307 16.786 14.310 1.00 25.00 C ATOM 0 H ILE A 51 6.871 14.059 13.181 1.00 25.00 H new ATOM 0 HA ILE A 51 7.926 16.619 13.640 1.00 25.00 H new ATOM 0 HB ILE A 51 7.568 14.345 15.571 1.00 25.00 H new ATOM 0 HG12 ILE A 51 5.486 14.654 14.348 1.00 25.00 H new ATOM 0 HG13 ILE A 51 5.283 15.385 15.928 1.00 25.00 H new ATOM 0 HG21 ILE A 51 7.208 16.026 17.280 1.00 25.00 H new ATOM 0 HG22 ILE A 51 8.849 16.067 16.593 1.00 25.00 H new ATOM 0 HG23 ILE A 51 7.654 17.296 16.116 1.00 25.00 H new ATOM 0 HD11 ILE A 51 4.224 16.745 14.190 1.00 25.00 H new ATOM 0 HD12 ILE A 51 5.571 17.638 14.937 1.00 25.00 H new ATOM 0 HD13 ILE A 51 5.777 16.895 13.333 1.00 25.00 H new ATOM 736 N ALA A 52 9.991 14.116 14.094 1.00 25.00 N ATOM 737 CA ALA A 52 11.389 13.772 14.337 1.00 25.00 C ATOM 738 C ALA A 52 12.403 14.277 13.266 1.00 25.00 C ATOM 739 O ALA A 52 13.557 14.536 13.562 1.00 25.00 O ATOM 740 CB ALA A 52 11.579 12.242 14.495 1.00 25.00 C ATOM 0 H ALA A 52 9.371 13.317 13.963 1.00 25.00 H new ATOM 0 HA ALA A 52 11.616 14.299 15.263 1.00 25.00 H new ATOM 0 HB1 ALA A 52 12.631 12.023 14.675 1.00 25.00 H new ATOM 0 HB2 ALA A 52 10.985 11.887 15.337 1.00 25.00 H new ATOM 0 HB3 ALA A 52 11.254 11.739 13.584 1.00 25.00 H new ATOM 746 N SER A 53 11.947 14.327 12.033 1.00 25.00 N ATOM 747 CA SER A 53 12.706 14.745 10.870 1.00 25.00 C ATOM 748 C SER A 53 12.577 16.237 10.555 1.00 25.00 C ATOM 749 O SER A 53 13.152 16.772 9.586 1.00 25.00 O ATOM 750 CB SER A 53 12.260 13.948 9.636 1.00 25.00 C ATOM 751 OG SER A 53 10.853 14.128 9.435 1.00 25.00 O ATOM 0 H SER A 53 10.989 14.064 11.801 1.00 25.00 H new ATOM 0 HA SER A 53 13.751 14.550 11.112 1.00 25.00 H new ATOM 0 HB2 SER A 53 12.810 14.282 8.756 1.00 25.00 H new ATOM 0 HB3 SER A 53 12.487 12.890 9.771 1.00 25.00 H new ATOM 0 HG SER A 53 10.568 13.621 8.647 1.00 25.00 H new ATOM 757 N ALA A 54 11.612 16.815 11.253 1.00 25.00 N ATOM 758 CA ALA A 54 11.296 18.244 11.125 1.00 25.00 C ATOM 759 C ALA A 54 10.922 18.638 9.713 1.00 25.00 C ATOM 760 O ALA A 54 11.147 19.740 9.235 1.00 25.00 O ATOM 761 CB ALA A 54 12.515 19.147 11.692 1.00 25.00 C ATOM 0 H ALA A 54 11.025 16.318 11.922 1.00 25.00 H new ATOM 0 HA ALA A 54 10.412 18.434 11.734 1.00 25.00 H new ATOM 0 HB1 ALA A 54 12.264 20.203 11.589 1.00 25.00 H new ATOM 0 HB2 ALA A 54 12.682 18.914 12.744 1.00 25.00 H new ATOM 0 HB3 ALA A 54 13.421 18.933 11.125 1.00 25.00 H new ATOM 767 N GLY A 55 10.307 17.700 9.007 1.00 25.00 N ATOM 768 CA GLY A 55 9.916 18.011 7.627 1.00 25.00 C ATOM 769 C GLY A 55 8.796 18.995 7.450 1.00 25.00 C ATOM 770 O GLY A 55 8.721 19.666 6.378 1.00 25.00 O ATOM 0 H GLY A 55 10.074 16.763 9.337 1.00 25.00 H new ATOM 0 HA2 GLY A 55 10.792 18.394 7.103 1.00 25.00 H new ATOM 0 HA3 GLY A 55 9.632 17.080 7.136 1.00 25.00 H new ATOM 774 N GLY A 56 7.954 19.225 8.452 1.00 25.00 N ATOM 775 CA GLY A 56 6.957 20.244 8.372 1.00 25.00 C ATOM 776 C GLY A 56 7.427 21.543 8.939 1.00 25.00 C ATOM 777 O GLY A 56 6.657 22.459 9.106 1.00 25.00 O ATOM 0 H GLY A 56 7.957 18.705 9.330 1.00 25.00 H new ATOM 0 HA2 GLY A 56 6.670 20.387 7.330 1.00 25.00 H new ATOM 0 HA3 GLY A 56 6.064 19.919 8.906 1.00 25.00 H new ATOM 781 N LEU A 57 8.693 21.673 9.286 1.00 25.00 N ATOM 782 CA LEU A 57 9.345 22.895 9.821 1.00 25.00 C ATOM 783 C LEU A 57 10.447 23.376 8.864 1.00 25.00 C ATOM 784 O LEU A 57 10.671 22.824 7.733 1.00 25.00 O ATOM 785 CB LEU A 57 9.885 22.625 11.212 1.00 25.00 C ATOM 786 CG LEU A 57 9.025 21.958 12.320 1.00 25.00 C ATOM 787 CD1 LEU A 57 9.996 21.790 13.513 1.00 50.00 C ATOM 788 CD2 LEU A 57 7.800 22.796 12.669 1.00 50.00 C ATOM 0 H LEU A 57 9.348 20.895 9.205 1.00 25.00 H new ATOM 0 HA LEU A 57 8.608 23.695 9.897 1.00 25.00 H new ATOM 0 HB2 LEU A 57 10.772 22.004 11.088 1.00 25.00 H new ATOM 0 HB3 LEU A 57 10.219 23.583 11.610 1.00 25.00 H new ATOM 0 HG LEU A 57 8.610 21.001 12.005 1.00 25.00 H new ATOM 0 HD11 LEU A 57 9.471 21.324 14.347 1.00 50.00 H new ATOM 0 HD12 LEU A 57 10.834 21.160 13.214 1.00 50.00 H new ATOM 0 HD13 LEU A 57 10.368 22.768 13.820 1.00 50.00 H new ATOM 0 HD21 LEU A 57 7.226 22.294 13.448 1.00 50.00 H new ATOM 0 HD22 LEU A 57 8.119 23.775 13.027 1.00 50.00 H new ATOM 0 HD23 LEU A 57 7.179 22.919 11.782 1.00 50.00 H new ATOM 800 N PHE A 58 11.196 24.373 9.309 1.00 25.00 N ATOM 801 CA PHE A 58 12.301 24.826 8.495 1.00 25.00 C ATOM 802 C PHE A 58 13.423 23.787 8.352 1.00 25.00 C ATOM 803 O PHE A 58 14.212 23.872 7.485 1.00 25.00 O ATOM 804 CB PHE A 58 12.851 26.102 9.134 1.00 25.00 C ATOM 805 CG PHE A 58 11.814 27.132 9.394 1.00 25.00 C ATOM 806 CD1 PHE A 58 11.124 27.086 10.647 1.00 50.00 C ATOM 807 CD2 PHE A 58 11.411 28.073 8.430 1.00 50.00 C ATOM 808 CE1 PHE A 58 10.081 28.026 10.923 1.00 25.00 C ATOM 809 CE2 PHE A 58 10.349 29.051 8.689 1.00 25.00 C ATOM 810 CZ PHE A 58 9.710 29.056 9.953 1.00 25.00 C ATOM 0 H PHE A 58 11.064 24.864 10.193 1.00 25.00 H new ATOM 0 HA PHE A 58 11.931 25.003 7.485 1.00 25.00 H new ATOM 0 HB2 PHE A 58 13.340 25.846 10.074 1.00 25.00 H new ATOM 0 HB3 PHE A 58 13.615 26.525 8.482 1.00 25.00 H new ATOM 0 HD1 PHE A 58 11.390 26.342 11.384 1.00 50.00 H new ATOM 0 HD2 PHE A 58 11.900 28.076 7.467 1.00 50.00 H new ATOM 0 HE1 PHE A 58 9.557 27.974 11.866 1.00 25.00 H new ATOM 0 HE2 PHE A 58 10.058 29.758 7.926 1.00 25.00 H new ATOM 0 HZ PHE A 58 8.967 29.802 10.195 1.00 25.00 H new ATOM 820 N GLY A 59 13.378 22.774 9.192 1.00 25.00 N ATOM 821 CA GLY A 59 14.379 21.671 9.093 1.00 25.00 C ATOM 822 C GLY A 59 14.113 20.944 7.775 1.00 25.00 C ATOM 823 O GLY A 59 15.040 20.451 7.126 1.00 25.00 O ATOM 0 H GLY A 59 12.691 22.669 9.938 1.00 25.00 H new ATOM 0 HA2 GLY A 59 15.394 22.068 9.117 1.00 25.00 H new ATOM 0 HA3 GLY A 59 14.284 20.987 9.937 1.00 25.00 H new ATOM 827 N GLY A 60 12.850 21.021 7.327 1.00 25.00 N ATOM 828 CA GLY A 60 12.506 20.312 6.074 1.00 25.00 C ATOM 829 C GLY A 60 12.874 20.984 4.777 1.00 25.00 C ATOM 830 O GLY A 60 12.923 20.412 3.682 1.00 25.00 O ATOM 0 H GLY A 60 12.089 21.531 7.776 1.00 25.00 H new ATOM 0 HA2 GLY A 60 12.988 19.335 6.096 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.430 20.137 6.070 1.00 25.00 H new ATOM 834 N ILE A 61 13.252 22.247 4.947 1.00 25.00 N ATOM 835 CA ILE A 61 13.778 23.063 3.769 1.00 25.00 C ATOM 836 C ILE A 61 15.243 22.658 3.557 1.00 25.00 C ATOM 837 O ILE A 61 15.826 22.544 2.442 1.00 25.00 O ATOM 838 CB ILE A 61 13.682 24.567 4.006 1.00 25.00 C ATOM 839 CG1 ILE A 61 12.203 25.001 4.073 1.00 25.00 C ATOM 840 CG2 ILE A 61 14.372 25.422 2.791 1.00 25.00 C ATOM 841 CD1 ILE A 61 11.846 26.457 4.589 1.00 25.00 C ATOM 0 H ILE A 61 13.221 22.745 5.836 1.00 25.00 H new ATOM 0 HA ILE A 61 13.168 22.854 2.890 1.00 25.00 H new ATOM 0 HB ILE A 61 14.203 24.767 4.942 1.00 25.00 H new ATOM 0 HG12 ILE A 61 11.785 24.896 3.072 1.00 25.00 H new ATOM 0 HG13 ILE A 61 11.681 24.289 4.713 1.00 25.00 H new ATOM 0 HG21 ILE A 61 14.282 26.488 2.999 1.00 25.00 H new ATOM 0 HG22 ILE A 61 15.426 25.156 2.712 1.00 25.00 H new ATOM 0 HG23 ILE A 61 13.868 25.192 1.852 1.00 25.00 H new ATOM 0 HD11 ILE A 61 10.765 26.594 4.571 1.00 25.00 H new ATOM 0 HD12 ILE A 61 12.211 26.581 5.608 1.00 25.00 H new ATOM 0 HD13 ILE A 61 12.316 27.198 3.942 1.00 25.00 H new ATOM 853 N LEU A 62 15.871 22.323 4.696 1.00 25.00 N ATOM 854 CA LEU A 62 17.310 21.978 4.743 1.00 25.00 C ATOM 855 C LEU A 62 17.492 20.585 4.316 1.00 25.00 C ATOM 856 O LEU A 62 18.564 20.214 3.845 1.00 25.00 O ATOM 857 CB LEU A 62 17.855 22.077 6.150 1.00 25.00 C ATOM 858 CG LEU A 62 17.924 23.491 6.793 1.00 25.00 C ATOM 859 CD1 LEU A 62 18.282 23.371 8.255 1.00 75.00 C ATOM 860 CD2 LEU A 62 18.894 24.430 6.055 1.00 75.00 C ATOM 0 H LEU A 62 15.406 22.282 5.603 1.00 25.00 H new ATOM 0 HA LEU A 62 17.834 22.676 4.090 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.244 21.444 6.793 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.861 21.657 6.152 1.00 25.00 H new ATOM 0 HG LEU A 62 16.937 23.945 6.703 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.329 24.365 8.701 1.00 75.00 H new ATOM 0 HD12 LEU A 62 17.524 22.779 8.768 1.00 75.00 H new ATOM 0 HD13 LEU A 62 19.252 22.883 8.353 1.00 75.00 H new ATOM 0 HD21 LEU A 62 18.903 25.403 6.546 1.00 75.00 H new ATOM 0 HD22 LEU A 62 19.897 24.005 6.074 1.00 75.00 H new ATOM 0 HD23 LEU A 62 18.570 24.548 5.021 1.00 75.00 H new ATOM 872 N ASP A 63 16.423 19.775 4.315 1.00 25.00 N ATOM 873 CA ASP A 63 16.404 18.437 3.755 1.00 25.00 C ATOM 874 C ASP A 63 16.527 18.349 2.219 1.00 25.00 C ATOM 875 O ASP A 63 16.584 17.319 1.611 1.00 25.00 O ATOM 876 CB ASP A 63 15.159 17.686 4.157 1.00 25.00 C ATOM 877 CG ASP A 63 15.318 16.214 4.099 1.00 25.00 C ATOM 878 OD1 ASP A 63 14.310 15.466 3.822 1.00 50.00 O ATOM 879 OD2 ASP A 63 16.506 15.695 4.327 1.00 50.00 O1- ATOM 0 H ASP A 63 15.528 20.051 4.718 1.00 25.00 H new ATOM 0 HA ASP A 63 17.303 17.986 4.175 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.880 17.975 5.170 1.00 25.00 H new ATOM 0 HB3 ASP A 63 14.338 17.982 3.504 1.00 25.00 H new ATOM 884 N GLN A 64 16.688 19.501 1.594 1.00 25.00 N ATOM 885 CA GLN A 64 16.999 19.565 0.163 1.00 25.00 C ATOM 886 C GLN A 64 18.485 19.443 0.006 1.00 25.00 C ATOM 887 O GLN A 64 19.065 20.072 -0.923 1.00 25.00 O ATOM 888 CB GLN A 64 16.441 20.843 -0.439 1.00 25.00 C ATOM 889 CG GLN A 64 14.966 20.932 -0.396 1.00 25.00 C ATOM 890 CD GLN A 64 14.453 22.149 -1.050 1.00 25.00 C ATOM 891 OE1 GLN A 64 14.919 22.751 -2.003 1.00 25.00 O ATOM 892 NE2 GLN A 64 13.368 22.632 -0.482 1.00 25.00 N ATOM 0 H GLN A 64 16.610 20.411 2.049 1.00 25.00 H new ATOM 0 HA GLN A 64 16.528 18.746 -0.380 1.00 25.00 H new ATOM 0 HB2 GLN A 64 16.862 21.697 0.092 1.00 25.00 H new ATOM 0 HB3 GLN A 64 16.770 20.918 -1.476 1.00 25.00 H new ATOM 0 HG2 GLN A 64 14.538 20.055 -0.882 1.00 25.00 H new ATOM 0 HG3 GLN A 64 14.635 20.915 0.642 1.00 25.00 H new ATOM 0 HE21 GLN A 64 12.954 22.152 0.317 1.00 25.00 H new ATOM 0 HE22 GLN A 64 12.942 23.486 -0.841 1.00 25.00 H new ATOM 901 N GLN A 65 19.134 18.580 0.752 1.00 25.00 N ATOM 902 CA GLN A 65 20.558 18.404 0.799 1.00 25.00 C ATOM 903 C GLN A 65 20.785 16.984 1.297 1.00 25.00 C ATOM 904 O GLN A 65 21.488 16.706 2.308 1.00 25.00 O ATOM 905 CB GLN A 65 21.193 19.597 1.579 1.00 25.00 C ATOM 906 CG GLN A 65 22.703 19.736 1.549 1.00 25.00 C ATOM 907 CD GLN A 65 23.237 20.016 0.154 1.00 25.00 C ATOM 908 OE1 GLN A 65 22.976 21.085 -0.411 1.00 25.00 O ATOM 909 NE2 GLN A 65 23.884 19.036 -0.455 1.00 25.00 N ATOM 0 H GLN A 65 18.645 17.943 1.381 1.00 25.00 H new ATOM 0 HA GLN A 65 21.082 18.459 -0.155 1.00 25.00 H new ATOM 0 HB2 GLN A 65 20.764 20.519 1.188 1.00 25.00 H new ATOM 0 HB3 GLN A 65 20.884 19.518 2.621 1.00 25.00 H new ATOM 0 HG2 GLN A 65 23.003 20.543 2.218 1.00 25.00 H new ATOM 0 HG3 GLN A 65 23.156 18.821 1.930 1.00 25.00 H new ATOM 0 HE21 GLN A 65 24.081 18.168 0.043 1.00 25.00 H new ATOM 0 HE22 GLN A 65 24.185 19.148 -1.423 1.00 25.00 H new ATOM 918 N SER A 66 20.084 16.027 0.672 1.00 25.00 N ATOM 919 CA SER A 66 19.840 14.705 1.142 1.00 25.00 C ATOM 920 C SER A 66 19.781 13.808 -0.021 1.00 25.00 C ATOM 921 O SER A 66 19.451 14.268 -1.139 1.00 25.00 O ATOM 922 CB SER A 66 18.457 14.640 1.817 1.00 25.00 C ATOM 923 OG SER A 66 18.222 13.396 2.472 1.00 25.00 O ATOM 0 H SER A 66 19.653 16.194 -0.237 1.00 25.00 H new ATOM 0 HA SER A 66 20.626 14.422 1.842 1.00 25.00 H new ATOM 0 HB2 SER A 66 18.373 15.449 2.542 1.00 25.00 H new ATOM 0 HB3 SER A 66 17.683 14.803 1.067 1.00 25.00 H new ATOM 0 HG SER A 66 17.333 13.406 2.885 1.00 25.00 H new ATOM 929 N GLU A 67 20.019 12.524 0.171 1.00 25.00 N ATOM 930 CA GLU A 67 19.913 11.552 -0.917 1.00 25.00 C ATOM 931 C GLU A 67 18.447 11.486 -1.136 1.00 25.00 C ATOM 932 O GLU A 67 17.983 11.262 -2.287 1.00 25.00 O ATOM 933 CB GLU A 67 20.485 10.230 -0.447 1.00 25.00 C ATOM 934 CG GLU A 67 21.976 10.241 -0.390 1.00 25.00 C ATOM 935 CD GLU A 67 22.599 8.888 -0.180 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.546 8.385 0.940 1.00 25.00 O ATOM 937 OE2 GLU A 67 23.214 8.337 -1.129 1.00 25.00 O1- ATOM 0 H GLU A 67 20.288 12.123 1.069 1.00 25.00 H new ATOM 0 HA GLU A 67 20.454 11.806 -1.828 1.00 25.00 H new ATOM 0 HB2 GLU A 67 20.088 9.997 0.541 1.00 25.00 H new ATOM 0 HB3 GLU A 67 20.156 9.436 -1.118 1.00 25.00 H new ATOM 0 HG2 GLU A 67 22.360 10.664 -1.318 1.00 25.00 H new ATOM 0 HG3 GLU A 67 22.292 10.902 0.417 1.00 25.00 H new ATOM 944 N ASN A 68 17.654 11.678 -0.081 1.00 25.00 N ATOM 945 CA ASN A 68 16.190 11.435 -0.188 1.00 25.00 C ATOM 946 C ASN A 68 15.474 12.738 -0.678 1.00 25.00 C ATOM 947 O ASN A 68 14.307 13.004 -0.308 1.00 25.00 O ATOM 948 CB ASN A 68 15.650 11.046 1.220 1.00 25.00 C ATOM 949 CG ASN A 68 16.572 10.100 1.894 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.966 9.068 1.386 1.00 25.00 O ATOM 951 ND2 ASN A 68 16.963 10.405 3.066 1.00 25.00 N ATOM 0 H ASN A 68 17.974 11.991 0.836 1.00 25.00 H new ATOM 0 HA ASN A 68 15.997 10.633 -0.901 1.00 25.00 H new ATOM 0 HB2 ASN A 68 15.531 11.942 1.829 1.00 25.00 H new ATOM 0 HB3 ASN A 68 14.663 10.593 1.124 1.00 25.00 H new ATOM 0 HD21 ASN A 68 17.600 9.786 3.568 1.00 25.00 H new ATOM 0 HD22 ASN A 68 16.640 11.268 3.503 1.00 25.00 H new ATOM 958 N ARG A 69 16.312 13.588 -1.308 1.00 25.00 N ATOM 959 CA ARG A 69 15.834 14.786 -2.011 1.00 25.00 C ATOM 960 C ARG A 69 15.086 14.236 -3.199 1.00 25.00 C ATOM 961 O ARG A 69 15.606 13.823 -4.260 1.00 25.00 O ATOM 962 CB ARG A 69 16.904 15.790 -2.439 1.00 25.00 C ATOM 963 CG ARG A 69 16.414 17.137 -2.852 1.00 25.00 C ATOM 964 CD ARG A 69 17.519 18.115 -3.438 1.00 25.00 C ATOM 965 NE ARG A 69 16.946 19.371 -3.849 1.00 25.00 N ATOM 966 CZ ARG A 69 17.538 20.458 -4.327 1.00 25.00 C ATOM 967 NH1 ARG A 69 16.722 21.363 -4.592 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 18.809 20.616 -4.540 1.00 25.00 N ATOM 0 H ARG A 69 17.324 13.462 -1.341 1.00 25.00 H new ATOM 0 HA ARG A 69 15.226 15.387 -1.334 1.00 25.00 H new ATOM 0 HB2 ARG A 69 17.604 15.918 -1.613 1.00 25.00 H new ATOM 0 HB3 ARG A 69 17.465 15.360 -3.269 1.00 25.00 H new ATOM 0 HG2 ARG A 69 15.634 17.007 -3.602 1.00 25.00 H new ATOM 0 HG3 ARG A 69 15.950 17.616 -1.990 1.00 25.00 H new ATOM 0 HD2 ARG A 69 18.286 18.293 -2.684 1.00 25.00 H new ATOM 0 HD3 ARG A 69 18.011 17.643 -4.288 1.00 25.00 H new ATOM 0 HE ARG A 69 15.932 19.434 -3.759 1.00 25.00 H new ATOM 0 HH11 ARG A 69 15.726 21.214 -4.433 1.00 25.00 H new ATOM 0 HH12 ARG A 69 17.051 22.253 -4.967 1.00 25.00 H new ATOM 0 HH21 ARG A 69 19.459 19.857 -4.335 1.00 25.00 H new ATOM 0 HH22 ARG A 69 19.158 21.499 -4.912 1.00 25.00 H new ATOM 982 N TRP A 70 13.820 14.255 -2.865 1.00 25.00 N ATOM 983 CA TRP A 70 12.661 14.106 -3.778 1.00 25.00 C ATOM 984 C TRP A 70 12.898 14.712 -5.169 1.00 25.00 C ATOM 985 O TRP A 70 13.514 15.762 -5.296 1.00 25.00 O ATOM 986 CB TRP A 70 11.448 14.650 -2.970 1.00 25.00 C ATOM 987 CG TRP A 70 11.740 16.021 -2.323 1.00 25.00 C ATOM 988 CD1 TRP A 70 12.118 17.150 -2.949 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.761 16.307 -0.937 1.00 25.00 C ATOM 990 NE1 TRP A 70 12.394 18.146 -2.045 1.00 25.00 N ATOM 991 CE2 TRP A 70 12.207 17.639 -0.787 1.00 25.00 C ATOM 992 CE3 TRP A 70 11.701 15.530 0.194 1.00 25.00 C ATOM 993 CZ2 TRP A 70 12.480 18.240 0.458 1.00 25.00 C ATOM 994 CZ3 TRP A 70 11.924 16.112 1.547 1.00 25.00 C ATOM 995 CH2 TRP A 70 12.354 17.474 1.608 1.00 25.00 C ATOM 0 H TRP A 70 13.529 14.381 -1.896 1.00 25.00 H new ATOM 0 HA TRP A 70 12.470 13.070 -4.059 1.00 25.00 H new ATOM 0 HB2 TRP A 70 10.585 14.739 -3.630 1.00 25.00 H new ATOM 0 HB3 TRP A 70 11.182 13.934 -2.193 1.00 25.00 H new ATOM 0 HD1 TRP A 70 12.194 17.259 -4.021 1.00 25.00 H new ATOM 0 HE1 TRP A 70 12.687 19.097 -2.271 1.00 25.00 H new ATOM 0 HE3 TRP A 70 11.488 14.475 0.100 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 12.781 19.276 0.516 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 11.768 15.530 2.443 1.00 25.00 H new ATOM 0 HH2 TRP A 70 12.585 17.915 2.567 1.00 25.00 H new ATOM 1006 N PHE A 71 12.332 14.034 -6.156 1.00 25.00 N ATOM 1007 CA PHE A 71 12.461 14.332 -7.554 1.00 25.00 C ATOM 1008 C PHE A 71 11.760 15.667 -7.795 1.00 25.00 C ATOM 1009 O PHE A 71 10.695 15.957 -7.182 1.00 25.00 O ATOM 1010 CB PHE A 71 11.924 13.229 -8.453 1.00 25.00 C ATOM 1011 CG PHE A 71 10.428 13.217 -8.666 1.00 25.00 C ATOM 1012 CD1 PHE A 71 9.564 12.556 -7.765 1.00 50.00 C ATOM 1013 CD2 PHE A 71 9.834 13.823 -9.842 1.00 50.00 C ATOM 1014 CE1 PHE A 71 8.159 12.558 -7.984 1.00 25.00 C ATOM 1015 CE2 PHE A 71 8.453 13.706 -10.084 1.00 25.00 C ATOM 1016 CZ PHE A 71 7.640 13.113 -9.151 1.00 25.00 C ATOM 0 H PHE A 71 11.742 13.221 -5.982 1.00 25.00 H new ATOM 0 HA PHE A 71 13.516 14.401 -7.817 1.00 25.00 H new ATOM 0 HB2 PHE A 71 12.409 13.312 -9.426 1.00 25.00 H new ATOM 0 HB3 PHE A 71 12.219 12.268 -8.031 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.973 12.046 -6.905 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.456 14.368 -10.537 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.496 12.130 -7.247 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.033 14.083 -11.005 1.00 25.00 H new ATOM 0 HZ PHE A 71 6.575 13.076 -9.326 1.00 25.00 H new ATOM 1026 N LYS A 72 12.383 16.579 -8.541 1.00 25.00 N ATOM 1027 CA LYS A 72 11.734 17.801 -9.026 1.00 25.00 C ATOM 1028 C LYS A 72 10.917 17.512 -10.230 1.00 25.00 C ATOM 1029 O LYS A 72 11.273 16.680 -11.044 1.00 25.00 O ATOM 1030 CB LYS A 72 12.724 18.961 -9.263 1.00 25.00 C ATOM 1031 CG LYS A 72 13.712 18.714 -10.449 1.00 25.00 C ATOM 1032 CD LYS A 72 14.530 19.998 -10.813 1.00 25.00 C ATOM 1033 CE LYS A 72 15.327 19.763 -12.110 1.00 25.00 C ATOM 1034 NZ LYS A 72 16.089 20.941 -12.533 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.358 16.492 -8.829 1.00 25.00 H new ATOM 0 HA LYS A 72 11.069 18.146 -8.235 1.00 25.00 H new ATOM 0 HB2 LYS A 72 12.160 19.874 -9.456 1.00 25.00 H new ATOM 0 HB3 LYS A 72 13.299 19.128 -8.352 1.00 25.00 H new ATOM 0 HG2 LYS A 72 14.399 17.910 -10.186 1.00 25.00 H new ATOM 0 HG3 LYS A 72 13.152 18.382 -11.323 1.00 25.00 H new ATOM 0 HD2 LYS A 72 13.856 20.845 -10.939 1.00 25.00 H new ATOM 0 HD3 LYS A 72 15.210 20.249 -9.999 1.00 25.00 H new ATOM 0 HE2 LYS A 72 16.011 18.927 -11.963 1.00 25.00 H new ATOM 0 HE3 LYS A 72 14.640 19.476 -12.906 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 16.605 20.724 -13.410 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 15.437 21.734 -12.701 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 16.767 21.202 -11.788 1.00 25.00 H new ATOM 1048 N HIS A 73 9.877 18.294 -10.501 1.00 25.00 N ATOM 1049 CA HIS A 73 9.339 18.399 -11.836 1.00 25.00 C ATOM 1050 C HIS A 73 8.967 19.807 -12.339 1.00 25.00 C ATOM 1051 O HIS A 73 8.494 20.651 -11.609 1.00 25.00 O ATOM 1052 CB HIS A 73 8.129 17.420 -11.940 1.00 25.00 C ATOM 1053 CG HIS A 73 7.829 17.037 -13.351 1.00 25.00 C ATOM 1054 ND1 HIS A 73 8.829 16.474 -14.157 1.00 25.00 N ATOM 1055 CD2 HIS A 73 6.776 17.258 -14.187 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.360 16.396 -15.400 1.00 25.00 C ATOM 1057 NE2 HIS A 73 7.160 16.879 -15.430 1.00 25.00 N ATOM 0 H HIS A 73 9.394 18.863 -9.805 1.00 25.00 H new ATOM 0 HA HIS A 73 10.153 18.129 -12.508 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.340 16.522 -11.359 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.249 17.886 -11.497 1.00 25.00 H new ATOM 0 HD2 HIS A 73 5.813 17.661 -13.910 1.00 25.00 H new ATOM 0 HE1 HIS A 73 8.895 15.994 -16.248 1.00 25.00 H new ATOM 0 HE2 HIS A 73 6.586 16.962 -16.269 1.00 25.00 H new ATOM 1065 N ILE A 74 9.195 20.073 -13.624 1.00 25.00 N ATOM 1066 CA ILE A 74 8.944 21.367 -14.211 1.00 25.00 C ATOM 1067 C ILE A 74 7.586 21.234 -14.931 1.00 25.00 C ATOM 1068 O ILE A 74 7.245 20.248 -15.517 1.00 25.00 O ATOM 1069 CB ILE A 74 10.049 21.753 -15.286 1.00 25.00 C ATOM 1070 CG1 ILE A 74 11.419 21.857 -14.609 1.00 25.00 C ATOM 1071 CG2 ILE A 74 9.713 23.056 -16.138 1.00 25.00 C ATOM 1072 CD1 ILE A 74 12.623 21.964 -15.620 1.00 25.00 C ATOM 0 H ILE A 74 9.561 19.385 -14.282 1.00 25.00 H new ATOM 0 HA ILE A 74 8.955 22.140 -13.442 1.00 25.00 H new ATOM 0 HB ILE A 74 10.064 20.946 -16.018 1.00 25.00 H new ATOM 0 HG12 ILE A 74 11.426 22.730 -13.957 1.00 25.00 H new ATOM 0 HG13 ILE A 74 11.567 20.984 -13.974 1.00 25.00 H new ATOM 0 HG21 ILE A 74 10.520 23.246 -16.846 1.00 25.00 H new ATOM 0 HG22 ILE A 74 8.781 22.905 -16.682 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.609 23.911 -15.470 1.00 25.00 H new ATOM 0 HD11 ILE A 74 13.559 22.034 -15.065 1.00 25.00 H new ATOM 0 HD12 ILE A 74 12.644 21.079 -16.256 1.00 25.00 H new ATOM 0 HD13 ILE A 74 12.501 22.853 -16.239 1.00 25.00 H new ATOM 1084 N MET A 75 6.721 22.185 -14.759 1.00 25.00 N ATOM 1085 CA MET A 75 5.492 22.252 -15.511 1.00 25.00 C ATOM 1086 C MET A 75 5.235 23.704 -15.746 1.00 25.00 C ATOM 1087 O MET A 75 5.618 24.536 -14.928 1.00 25.00 O ATOM 1088 CB MET A 75 4.302 21.727 -14.714 1.00 25.00 C ATOM 1089 CG MET A 75 4.130 20.210 -14.549 1.00 25.00 C ATOM 1090 SD MET A 75 2.516 19.862 -13.938 1.00 25.00 S ATOM 1091 CE MET A 75 2.419 20.609 -12.276 1.00 25.00 C ATOM 0 H MET A 75 6.842 22.945 -14.090 1.00 25.00 H new ATOM 0 HA MET A 75 5.595 21.657 -16.418 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.355 22.163 -13.716 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.396 22.112 -15.182 1.00 25.00 H new ATOM 0 HG2 MET A 75 4.283 19.710 -15.505 1.00 25.00 H new ATOM 0 HG3 MET A 75 4.882 19.821 -13.862 1.00 25.00 H new ATOM 0 HE1 MET A 75 1.440 20.406 -11.843 1.00 25.00 H new ATOM 0 HE2 MET A 75 3.193 20.181 -11.639 1.00 25.00 H new ATOM 0 HE3 MET A 75 2.566 21.686 -12.352 1.00 25.00 H new ATOM 1101 N THR A 76 4.653 23.981 -16.863 1.00 25.00 N ATOM 1102 CA THR A 76 4.139 25.296 -17.099 1.00 25.00 C ATOM 1103 C THR A 76 2.734 25.359 -16.538 1.00 25.00 C ATOM 1104 O THR A 76 2.138 24.381 -16.011 1.00 25.00 O ATOM 1105 CB THR A 76 4.028 25.584 -18.646 1.00 25.00 C ATOM 1106 OG1 THR A 76 3.318 24.529 -19.289 1.00 25.00 O ATOM 1107 CG2 THR A 76 5.364 25.711 -19.263 1.00 25.00 C ATOM 0 H THR A 76 4.519 23.320 -17.628 1.00 25.00 H new ATOM 0 HA THR A 76 4.807 26.021 -16.634 1.00 25.00 H new ATOM 0 HB THR A 76 3.492 26.525 -18.772 1.00 25.00 H new ATOM 0 HG1 THR A 76 3.252 24.716 -20.249 1.00 25.00 H new ATOM 0 HG21 THR A 76 5.255 25.909 -20.329 1.00 25.00 H new ATOM 0 HG22 THR A 76 5.904 26.533 -18.794 1.00 25.00 H new ATOM 0 HG23 THR A 76 5.920 24.784 -19.121 1.00 25.00 H new ATOM 1115 N GLY A 77 2.202 26.563 -16.529 1.00 25.00 N ATOM 1116 CA GLY A 77 0.887 26.775 -15.892 1.00 25.00 C ATOM 1117 C GLY A 77 -0.306 26.188 -16.638 1.00 25.00 C ATOM 1118 O GLY A 77 -0.220 25.447 -17.600 1.00 25.00 O ATOM 0 H GLY A 77 2.630 27.395 -16.936 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.914 26.345 -14.891 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.728 27.847 -15.775 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.488 26.503 -16.115 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.775 26.100 -16.613 1.00 25.00 C ATOM 1124 C GLY A 78 -3.173 24.834 -15.903 1.00 25.00 C ATOM 1125 O GLY A 78 -2.486 24.359 -14.952 1.00 25.00 O ATOM 0 H GLY A 78 -1.563 27.084 -15.280 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.513 26.883 -16.439 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.733 25.936 -17.690 1.00 25.00 H new ATOM 1129 N GLU A 79 -4.307 24.268 -16.277 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.783 23.061 -15.615 1.00 25.00 C ATOM 1131 C GLU A 79 -3.860 21.893 -15.895 1.00 25.00 C ATOM 1132 O GLU A 79 -3.342 21.861 -17.013 1.00 25.00 O ATOM 1133 CB GLU A 79 -6.088 22.636 -16.238 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.236 23.620 -16.069 1.00 25.00 C ATOM 1135 CD GLU A 79 -7.847 23.661 -14.673 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -8.644 24.554 -14.404 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -7.653 22.725 -13.853 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.909 24.616 -17.023 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.854 23.288 -14.551 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.927 22.470 -17.303 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.384 21.679 -15.807 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -6.880 24.618 -16.323 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -8.019 23.369 -16.785 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.764 20.977 -14.960 1.00 25.00 N ATOM 1145 CA HIS A 80 -2.869 19.836 -15.171 1.00 25.00 C ATOM 1146 C HIS A 80 -3.533 18.650 -14.456 1.00 25.00 C ATOM 1147 O HIS A 80 -4.060 18.884 -13.347 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.506 20.087 -14.571 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.526 20.757 -15.453 1.00 25.00 C ATOM 1150 ND1 HIS A 80 0.105 20.152 -16.532 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.166 22.058 -15.539 1.00 25.00 C ATOM 1152 CE1 HIS A 80 0.841 20.999 -17.151 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.722 22.144 -16.523 1.00 25.00 N ATOM 0 H HIS A 80 -4.269 20.984 -14.074 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.720 19.654 -16.235 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.631 20.692 -13.673 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -1.088 19.131 -14.255 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.530 22.870 -14.926 1.00 25.00 H new ATOM 0 HE1 HIS A 80 1.445 20.806 -18.025 1.00 25.00 H new ATOM 0 HE2 HIS A 80 1.242 22.989 -16.759 1.00 25.00 H new ATOM 1161 N THR A 81 -3.525 17.507 -15.087 1.00 25.00 N ATOM 1162 CA THR A 81 -4.242 16.371 -14.517 1.00 25.00 C ATOM 1163 C THR A 81 -3.233 15.635 -13.725 1.00 25.00 C ATOM 1164 O THR A 81 -2.339 14.939 -14.254 1.00 25.00 O ATOM 1165 CB THR A 81 -4.836 15.519 -15.625 1.00 25.00 C ATOM 1166 OG1 THR A 81 -5.678 16.294 -16.502 1.00 25.00 O ATOM 1167 CG2 THR A 81 -5.732 14.462 -14.997 1.00 25.00 C ATOM 0 H THR A 81 -3.049 17.327 -15.971 1.00 25.00 H new ATOM 0 HA THR A 81 -5.081 16.672 -13.890 1.00 25.00 H new ATOM 0 HB THR A 81 -4.008 15.091 -16.191 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.356 16.764 -15.973 1.00 25.00 H new ATOM 0 HG21 THR A 81 -6.167 13.841 -15.780 1.00 25.00 H new ATOM 0 HG22 THR A 81 -5.143 13.838 -14.325 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.529 14.948 -14.435 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.346 15.767 -12.433 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.463 15.004 -11.550 1.00 25.00 C ATOM 1177 C PHE A 82 -3.059 13.613 -11.589 1.00 25.00 C ATOM 1178 O PHE A 82 -4.269 13.411 -11.740 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.480 15.457 -10.104 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.597 16.669 -9.830 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.250 16.427 -9.528 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.083 17.964 -10.082 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.696 17.444 -9.494 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.145 19.101 -9.931 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.251 18.847 -9.725 1.00 25.00 C ATOM 0 H PHE A 82 -4.017 16.375 -11.963 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.430 15.105 -11.883 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.505 15.694 -9.819 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.155 14.632 -9.470 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.063 15.416 -9.314 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.109 18.125 -10.377 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.736 17.221 -9.303 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.511 20.116 -9.976 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.966 19.657 -9.737 1.00 25.00 H new ATOM 1195 N THR A 83 -2.252 12.583 -11.586 1.00 25.00 N ATOM 1196 CA THR A 83 -2.764 11.227 -11.734 1.00 25.00 C ATOM 1197 C THR A 83 -2.030 10.367 -10.714 1.00 25.00 C ATOM 1198 O THR A 83 -0.899 9.995 -10.942 1.00 25.00 O ATOM 1199 CB THR A 83 -2.631 10.673 -13.160 1.00 25.00 C ATOM 1200 OG1 THR A 83 -3.308 11.520 -14.105 1.00 25.00 O ATOM 1201 CG2 THR A 83 -3.331 9.248 -13.267 1.00 25.00 C ATOM 0 H THR A 83 -1.239 12.647 -11.484 1.00 25.00 H new ATOM 0 HA THR A 83 -3.838 11.221 -11.550 1.00 25.00 H new ATOM 0 HB THR A 83 -1.565 10.615 -13.379 1.00 25.00 H new ATOM 0 HG1 THR A 83 -3.209 11.149 -15.007 1.00 25.00 H new ATOM 0 HG21 THR A 83 -3.229 8.868 -14.283 1.00 25.00 H new ATOM 0 HG22 THR A 83 -2.856 8.556 -12.571 1.00 25.00 H new ATOM 0 HG23 THR A 83 -4.388 9.343 -13.020 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.716 10.035 -9.606 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.163 9.205 -8.489 1.00 25.00 C ATOM 1211 C TRP A 84 -2.758 7.842 -8.762 1.00 25.00 C ATOM 1212 O TRP A 84 -3.899 7.715 -9.020 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.516 9.904 -7.177 1.00 25.00 C ATOM 1214 CG TRP A 84 -2.050 11.273 -7.124 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.970 11.779 -7.728 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -2.697 12.385 -6.494 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.842 13.107 -7.510 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -1.883 13.535 -6.795 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -3.896 12.584 -5.825 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -2.240 14.836 -6.351 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -4.268 13.907 -5.418 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -3.409 14.985 -5.685 1.00 25.00 C ATOM 0 H TRP A 84 -3.679 10.331 -9.447 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.082 9.085 -8.415 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.598 9.888 -7.043 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -2.084 9.346 -6.346 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.281 11.195 -8.320 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.072 13.689 -7.840 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -4.545 11.747 -5.612 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -1.597 15.683 -6.539 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -5.205 14.074 -4.908 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -3.692 15.971 -5.346 1.00 25.00 H new ATOM 1233 N THR A 85 -1.854 6.841 -8.828 1.00 25.00 N ATOM 1234 CA THR A 85 -2.257 5.478 -9.215 1.00 25.00 C ATOM 1235 C THR A 85 -1.838 4.608 -8.109 1.00 25.00 C ATOM 1236 O THR A 85 -0.716 4.422 -7.812 1.00 25.00 O ATOM 1237 CB THR A 85 -1.594 5.202 -10.566 1.00 25.00 C ATOM 1238 OG1 THR A 85 -0.294 5.826 -10.646 1.00 25.00 O ATOM 1239 CG2 THR A 85 -2.416 5.699 -11.749 1.00 25.00 C ATOM 0 H THR A 85 -0.861 6.950 -8.622 1.00 25.00 H new ATOM 0 HA THR A 85 -3.325 5.314 -9.358 1.00 25.00 H new ATOM 0 HB THR A 85 -1.510 4.117 -10.625 1.00 25.00 H new ATOM 0 HG1 THR A 85 0.378 5.153 -10.880 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.891 5.473 -12.677 1.00 25.00 H new ATOM 0 HG22 THR A 85 -3.387 5.204 -11.751 1.00 25.00 H new ATOM 0 HG23 THR A 85 -2.559 6.776 -11.666 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.832 3.943 -7.544 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.528 3.032 -6.403 1.00 25.00 C ATOM 1249 C TYR A 86 -2.798 1.588 -6.832 1.00 25.00 C ATOM 1250 O TYR A 86 -3.606 1.351 -7.753 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.369 3.361 -5.223 1.00 25.00 C ATOM 1252 CG TYR A 86 -2.779 4.349 -4.365 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -2.385 4.026 -3.059 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -2.545 5.723 -4.765 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -1.794 4.960 -2.157 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -1.900 6.640 -3.916 1.00 25.00 C ATOM 1257 CZ TYR A 86 -1.471 6.242 -2.632 1.00 25.00 C ATOM 1258 OH TYR A 86 -0.762 7.186 -1.896 1.00 25.00 O ATOM 0 H TYR A 86 -3.812 3.995 -7.822 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.481 3.155 -6.125 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -4.340 3.720 -5.566 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.550 2.452 -4.649 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -2.537 3.013 -2.716 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -2.875 6.051 -5.740 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -1.599 4.687 -1.130 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -1.732 7.654 -4.248 1.00 25.00 H new ATOM 0 HH TYR A 86 -1.345 7.946 -1.691 1.00 25.00 H new ATOM 1268 N THR A 87 -2.076 0.691 -6.157 1.00 25.00 N ATOM 1269 CA THR A 87 -2.293 -0.776 -6.360 1.00 25.00 C ATOM 1270 C THR A 87 -2.795 -1.492 -5.105 1.00 25.00 C ATOM 1271 O THR A 87 -2.787 -2.711 -4.955 1.00 25.00 O ATOM 1272 CB THR A 87 -1.010 -1.402 -6.911 1.00 25.00 C ATOM 1273 OG1 THR A 87 -1.245 -2.767 -7.225 1.00 25.00 O ATOM 1274 CG2 THR A 87 0.118 -1.313 -5.944 1.00 25.00 C ATOM 0 H THR A 87 -1.351 0.927 -5.479 1.00 25.00 H new ATOM 0 HA THR A 87 -3.094 -0.902 -7.089 1.00 25.00 H new ATOM 0 HB THR A 87 -0.731 -0.844 -7.805 1.00 25.00 H new ATOM 0 HG1 THR A 87 -1.824 -3.165 -6.542 1.00 25.00 H new ATOM 0 HG21 THR A 87 1.007 -1.770 -6.379 1.00 25.00 H new ATOM 0 HG22 THR A 87 0.322 -0.266 -5.718 1.00 25.00 H new ATOM 0 HG23 THR A 87 -0.147 -1.837 -5.026 1.00 25.00 H new ATOM 1282 N ALA A 88 -3.114 -0.638 -4.110 1.00 25.00 N ATOM 1283 CA ALA A 88 -3.379 -0.948 -2.705 1.00 25.00 C ATOM 1284 C ALA A 88 -4.502 -1.984 -2.561 1.00 25.00 C ATOM 1285 O ALA A 88 -5.625 -1.622 -2.888 1.00 25.00 O ATOM 1286 CB ALA A 88 -3.825 0.312 -1.943 1.00 25.00 C ATOM 0 H ALA A 88 -3.197 0.362 -4.291 1.00 25.00 H new ATOM 0 HA ALA A 88 -2.449 -1.342 -2.294 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -4.017 0.058 -0.900 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -3.039 1.066 -1.994 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -4.736 0.706 -2.394 1.00 25.00 H new ATOM 1292 N PRO A 89 -4.214 -3.153 -1.958 1.00 25.00 N ATOM 1293 CA PRO A 89 -5.302 -4.004 -1.390 1.00 25.00 C ATOM 1294 C PRO A 89 -6.031 -3.438 -0.145 1.00 25.00 C ATOM 1295 O PRO A 89 -7.234 -3.542 -0.013 1.00 25.00 O ATOM 1296 CB PRO A 89 -4.620 -5.317 -1.041 1.00 25.00 C ATOM 1297 CG PRO A 89 -3.393 -5.327 -1.944 1.00 25.00 C ATOM 1298 CD PRO A 89 -2.926 -3.886 -1.900 1.00 25.00 C ATOM 0 HA PRO A 89 -6.101 -4.085 -2.127 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -4.344 -5.359 0.013 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -5.269 -6.171 -1.235 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -2.627 -6.011 -1.577 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -3.641 -5.640 -2.958 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -2.369 -3.664 -0.990 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -2.276 -3.640 -2.740 1.00 25.00 H new ATOM 1306 N HIS A 90 -5.250 -2.791 0.725 1.00 25.00 N ATOM 1307 CA HIS A 90 -5.804 -2.136 1.888 1.00 25.00 C ATOM 1308 C HIS A 90 -6.659 -0.904 1.475 1.00 25.00 C ATOM 1309 O HIS A 90 -6.336 -0.127 0.562 1.00 25.00 O ATOM 1310 CB HIS A 90 -4.626 -1.686 2.820 1.00 0.00 C ATOM 1311 CG HIS A 90 -3.697 -0.693 2.254 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -3.686 0.631 2.569 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -2.711 -0.797 1.349 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -2.701 1.215 1.807 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.085 0.382 1.004 1.00 0.00 N ATOM 0 H HIS A 90 -4.237 -2.713 0.637 1.00 25.00 H new ATOM 0 HA HIS A 90 -6.455 -2.832 2.417 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.051 -1.276 3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.054 -2.570 3.102 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.292 1.100 3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.426 -1.745 0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.457 2.265 1.865 1.00 0.00 H new ATOM 1323 N ASN A 91 -7.777 -0.786 2.190 1.00 25.00 N ATOM 1324 CA ASN A 91 -8.683 0.269 1.958 1.00 25.00 C ATOM 1325 C ASN A 91 -8.250 1.575 2.565 1.00 25.00 C ATOM 1326 O ASN A 91 -7.951 1.646 3.767 1.00 25.00 O ATOM 1327 CB ASN A 91 -10.052 -0.108 2.486 1.00 25.00 C ATOM 1328 CG ASN A 91 -11.136 0.787 1.946 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -11.004 1.298 0.873 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -12.201 0.947 2.666 1.00 25.00 N ATOM 0 H ASN A 91 -8.053 -1.428 2.933 1.00 25.00 H new ATOM 0 HA ASN A 91 -8.715 0.421 0.879 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -10.270 -1.142 2.219 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -10.047 -0.054 3.575 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -12.967 1.527 2.322 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -12.274 0.493 3.577 1.00 25.00 H new ATOM 1337 N THR A 92 -8.243 2.657 1.820 1.00 25.00 N ATOM 1338 CA THR A 92 -7.853 3.963 2.430 1.00 25.00 C ATOM 1339 C THR A 92 -9.120 4.684 2.916 1.00 25.00 C ATOM 1340 O THR A 92 -10.218 4.270 2.652 1.00 25.00 O ATOM 1341 CB THR A 92 -7.063 4.821 1.433 1.00 25.00 C ATOM 1342 OG1 THR A 92 -7.796 4.902 0.215 1.00 25.00 O ATOM 1343 CG2 THR A 92 -5.646 4.159 1.157 1.00 25.00 C ATOM 0 H THR A 92 -8.487 2.690 0.830 1.00 25.00 H new ATOM 0 HA THR A 92 -7.197 3.786 3.283 1.00 25.00 H new ATOM 0 HB THR A 92 -6.914 5.819 1.845 1.00 25.00 H new ATOM 0 HG1 THR A 92 -7.301 5.450 -0.429 1.00 25.00 H new ATOM 0 HG21 THR A 92 -5.090 4.773 0.448 1.00 25.00 H new ATOM 0 HG22 THR A 92 -5.089 4.088 2.091 1.00 25.00 H new ATOM 0 HG23 THR A 92 -5.785 3.161 0.741 1.00 25.00 H new ATOM 1351 N SER A 93 -8.963 5.685 3.759 1.00 25.00 N ATOM 1352 CA SER A 93 -10.094 6.450 4.161 1.00 25.00 C ATOM 1353 C SER A 93 -10.203 7.720 3.310 1.00 25.00 C ATOM 1354 O SER A 93 -11.267 7.940 2.702 1.00 25.00 O ATOM 1355 CB SER A 93 -9.919 6.935 5.596 1.00 25.00 C ATOM 1356 OG SER A 93 -8.559 7.204 5.884 1.00 25.00 O ATOM 0 H SER A 93 -8.073 5.973 4.166 1.00 25.00 H new ATOM 0 HA SER A 93 -10.971 5.812 4.053 1.00 25.00 H new ATOM 0 HB2 SER A 93 -10.512 7.836 5.753 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.297 6.181 6.286 1.00 25.00 H new ATOM 0 HG SER A 93 -8.476 7.515 6.810 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.114 8.462 3.186 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.080 9.725 2.449 1.00 25.00 C ATOM 1364 C GLN A 94 -7.608 10.179 2.197 1.00 25.00 C ATOM 1365 O GLN A 94 -6.681 9.566 2.795 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.805 10.796 3.260 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.328 11.026 4.676 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.215 12.013 5.399 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -10.144 13.175 5.243 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -11.070 11.469 6.278 1.00 25.00 N ATOM 0 H GLN A 94 -8.216 8.205 3.597 1.00 25.00 H new ATOM 0 HA GLN A 94 -9.570 9.583 1.486 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -9.729 11.740 2.720 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -10.863 10.535 3.297 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.317 10.080 5.217 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -8.303 11.397 4.661 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -11.109 10.456 6.392 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -11.681 12.068 6.833 1.00 25.00 H new ATOM 1379 N TRP A 95 -7.414 11.213 1.378 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.099 11.789 1.226 1.00 25.00 C ATOM 1381 C TRP A 95 -6.227 13.300 1.048 1.00 25.00 C ATOM 1382 O TRP A 95 -7.316 13.752 0.689 1.00 25.00 O ATOM 1383 CB TRP A 95 -5.425 11.229 -0.011 1.00 25.00 C ATOM 1384 CG TRP A 95 -6.251 11.320 -1.331 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -6.357 12.403 -2.185 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.196 10.387 -1.910 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -7.270 12.216 -3.187 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -7.875 11.004 -2.991 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -7.557 9.070 -1.606 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.984 10.386 -3.661 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -8.628 8.490 -2.191 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -9.343 9.131 -3.257 1.00 25.00 C ATOM 0 H TRP A 95 -8.145 11.656 0.822 1.00 25.00 H new ATOM 0 HA TRP A 95 -5.510 11.552 2.112 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -4.481 11.755 -0.158 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -5.182 10.182 0.172 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -5.777 13.307 -2.072 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -7.466 12.867 -3.948 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -6.971 8.509 -0.893 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.514 10.893 -4.454 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -8.954 7.519 -1.847 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -10.164 8.622 -3.740 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.181 13.998 1.444 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.233 15.446 1.666 1.00 25.00 C ATOM 1405 C HIS A 96 -4.042 15.964 0.926 1.00 25.00 C ATOM 1406 O HIS A 96 -3.006 15.307 0.827 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.017 15.851 3.186 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.690 14.954 4.191 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.892 15.240 4.828 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.366 13.736 4.642 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.193 14.244 5.649 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.276 13.315 5.571 1.00 25.00 N ATOM 0 H HIS A 96 -4.266 13.585 1.624 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.203 15.833 1.355 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -3.947 15.863 3.393 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.381 16.868 3.330 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.507 13.167 4.318 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -8.064 14.205 6.286 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.246 12.444 6.101 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.102 17.130 0.265 1.00 25.00 N ATOM 1421 CA TYR A 97 -2.982 17.652 -0.518 1.00 25.00 C ATOM 1422 C TYR A 97 -2.835 19.173 -0.412 1.00 25.00 C ATOM 1423 O TYR A 97 -3.832 19.894 -0.299 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.079 17.099 -1.945 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.427 17.074 -2.671 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.382 16.078 -2.342 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -4.694 18.002 -3.716 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.696 16.182 -2.912 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -5.981 18.041 -4.225 1.00 25.00 C ATOM 1430 CZ TYR A 97 -6.938 17.187 -3.871 1.00 25.00 C ATOM 1431 OH TYR A 97 -8.189 17.287 -4.366 1.00 25.00 O ATOM 0 H TYR A 97 -4.926 17.732 0.261 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.040 17.298 -0.099 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.390 17.675 -2.562 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.706 16.075 -1.921 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -5.128 15.263 -1.680 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -3.921 18.652 -4.098 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -7.482 15.505 -2.612 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -6.221 18.806 -4.949 1.00 25.00 H new ATOM 0 HH TYR A 97 -8.226 18.019 -5.017 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.606 19.702 -0.227 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.392 21.092 -0.059 1.00 25.00 C ATOM 1443 C TYR A 98 -0.052 21.524 -0.675 1.00 25.00 C ATOM 1444 O TYR A 98 0.689 20.728 -1.086 1.00 25.00 O ATOM 1445 CB TYR A 98 -1.469 21.477 1.406 1.00 25.00 C ATOM 1446 CG TYR A 98 -0.552 20.751 2.359 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -0.867 19.422 2.697 1.00 50.00 C ATOM 1448 CD2 TYR A 98 0.574 21.366 2.913 1.00 50.00 C ATOM 1449 CE1 TYR A 98 0.053 18.635 3.498 1.00 25.00 C ATOM 1450 CE2 TYR A 98 1.355 20.613 3.791 1.00 25.00 C ATOM 1451 CZ TYR A 98 1.151 19.273 4.073 1.00 25.00 C ATOM 1452 OH TYR A 98 1.994 18.552 4.912 1.00 25.00 O ATOM 0 H TYR A 98 -0.752 19.144 -0.195 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.185 21.621 -0.588 1.00 25.00 H new ATOM 0 HB2 TYR A 98 -1.263 22.544 1.486 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -2.495 21.324 1.742 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.796 18.986 2.360 1.00 50.00 H new ATOM 0 HD2 TYR A 98 0.830 22.387 2.671 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -0.110 17.578 3.645 1.00 25.00 H new ATOM 0 HE2 TYR A 98 2.176 21.111 4.285 1.00 25.00 H new ATOM 0 HH TYR A 98 2.713 19.135 5.233 1.00 25.00 H new ATOM 1462 N ILE A 99 0.075 22.818 -0.786 1.00 25.00 N ATOM 1463 CA ILE A 99 1.208 23.480 -1.420 1.00 25.00 C ATOM 1464 C ILE A 99 1.960 24.409 -0.488 1.00 25.00 C ATOM 1465 O ILE A 99 1.474 24.606 0.612 1.00 25.00 O ATOM 1466 CB ILE A 99 0.744 24.325 -2.611 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.216 25.445 -2.164 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.163 23.379 -3.611 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.698 26.396 -3.213 1.00 25.00 C ATOM 0 H ILE A 99 -0.623 23.471 -0.430 1.00 25.00 H new ATOM 0 HA ILE A 99 1.872 22.673 -1.730 1.00 25.00 H new ATOM 0 HB ILE A 99 1.572 24.860 -3.076 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.088 24.979 -1.706 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.281 26.025 -1.386 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.183 23.937 -4.481 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.924 22.662 -3.919 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.677 22.847 -3.164 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.364 27.130 -2.760 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.155 26.907 -3.660 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.236 25.845 -3.984 1.00 25.00 H new ATOM 1481 N THR A 100 3.065 24.966 -0.911 1.00 25.00 N ATOM 1482 CA THR A 100 3.707 26.040 -0.146 1.00 25.00 C ATOM 1483 C THR A 100 4.163 27.196 -1.025 1.00 25.00 C ATOM 1484 O THR A 100 4.221 27.034 -2.259 1.00 25.00 O ATOM 1485 CB THR A 100 4.830 25.456 0.719 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.259 26.373 1.713 1.00 25.00 O ATOM 1487 CG2 THR A 100 6.159 25.143 -0.066 1.00 25.00 C ATOM 0 H THR A 100 3.547 24.707 -1.772 1.00 25.00 H new ATOM 0 HA THR A 100 2.966 26.481 0.521 1.00 25.00 H new ATOM 0 HB THR A 100 4.376 24.548 1.116 1.00 25.00 H new ATOM 0 HG1 THR A 100 5.216 25.945 2.593 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.900 24.734 0.621 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.954 24.418 -0.853 1.00 25.00 H new ATOM 0 HG23 THR A 100 6.544 26.061 -0.510 1.00 25.00 H new ATOM 1495 N LYS A 101 4.264 28.394 -0.476 1.00 25.00 N ATOM 1496 CA LYS A 101 4.389 29.652 -1.217 1.00 25.00 C ATOM 1497 C LYS A 101 5.434 30.678 -0.635 1.00 25.00 C ATOM 1498 O LYS A 101 5.083 31.506 0.252 1.00 25.00 O ATOM 1499 CB LYS A 101 2.999 30.303 -1.369 1.00 25.00 C ATOM 1500 CG LYS A 101 2.923 31.389 -2.325 1.00 25.00 C ATOM 1501 CD LYS A 101 1.479 31.905 -2.545 1.00 25.00 C ATOM 1502 CE LYS A 101 0.512 30.960 -3.280 1.00 25.00 C ATOM 1503 NZ LYS A 101 1.128 30.543 -4.613 1.00 25.00 N1+ ATOM 0 H LYS A 101 4.262 28.530 0.535 1.00 25.00 H new ATOM 0 HA LYS A 101 4.795 29.382 -2.192 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.286 29.533 -1.662 1.00 25.00 H new ATOM 0 HB3 LYS A 101 2.683 30.676 -0.395 1.00 25.00 H new ATOM 0 HG2 LYS A 101 3.548 32.213 -1.981 1.00 25.00 H new ATOM 0 HG3 LYS A 101 3.332 31.055 -3.278 1.00 25.00 H new ATOM 0 HD2 LYS A 101 1.050 32.141 -1.571 1.00 25.00 H new ATOM 0 HD3 LYS A 101 1.533 32.839 -3.104 1.00 25.00 H new ATOM 0 HE2 LYS A 101 0.310 30.080 -2.669 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -0.443 31.457 -3.448 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 0.406 30.076 -5.198 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 1.485 31.385 -5.109 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 1.914 29.884 -4.441 1.00 25.00 H new ATOM 1517 N LYS A 102 6.594 30.730 -1.235 1.00 25.00 N ATOM 1518 CA LYS A 102 7.525 31.869 -1.197 1.00 25.00 C ATOM 1519 C LYS A 102 7.004 33.326 -1.345 1.00 25.00 C ATOM 1520 O LYS A 102 5.879 33.545 -1.791 1.00 25.00 O ATOM 1521 CB LYS A 102 8.645 31.625 -2.221 1.00 25.00 C ATOM 1522 CG LYS A 102 9.984 31.604 -1.471 1.00 25.00 C ATOM 1523 CD LYS A 102 11.241 31.388 -2.220 1.00 25.00 C ATOM 1524 CE LYS A 102 12.463 31.216 -1.262 1.00 25.00 C ATOM 1525 NZ LYS A 102 13.604 31.150 -2.203 1.00 25.00 N1+ ATOM 0 H LYS A 102 6.948 29.953 -1.793 1.00 25.00 H new ATOM 0 HA LYS A 102 7.842 31.863 -0.154 1.00 25.00 H new ATOM 0 HB2 LYS A 102 8.486 30.680 -2.741 1.00 25.00 H new ATOM 0 HB3 LYS A 102 8.646 32.409 -2.978 1.00 25.00 H new ATOM 0 HG2 LYS A 102 10.078 32.554 -0.945 1.00 25.00 H new ATOM 0 HG3 LYS A 102 9.920 30.825 -0.712 1.00 25.00 H new ATOM 0 HD2 LYS A 102 11.143 30.502 -2.847 1.00 25.00 H new ATOM 0 HD3 LYS A 102 11.417 32.232 -2.886 1.00 25.00 H new ATOM 0 HE2 LYS A 102 12.556 32.053 -0.570 1.00 25.00 H new ATOM 0 HE3 LYS A 102 12.382 30.311 -0.659 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 14.489 31.034 -1.668 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 13.478 30.341 -2.845 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 13.648 32.029 -2.758 1.00 25.00 H new ATOM 1539 N GLY A 103 7.795 34.347 -0.957 1.00 25.00 N ATOM 1540 CA GLY A 103 7.534 35.762 -1.335 1.00 25.00 C ATOM 1541 C GLY A 103 6.634 36.353 -0.297 1.00 25.00 C ATOM 1542 O GLY A 103 5.874 37.267 -0.459 1.00 25.00 O ATOM 0 H GLY A 103 8.626 34.222 -0.379 1.00 25.00 H new ATOM 0 HA2 GLY A 103 8.468 36.320 -1.394 1.00 25.00 H new ATOM 0 HA3 GLY A 103 7.069 35.815 -2.319 1.00 25.00 H new ATOM 1546 N TRP A 104 6.755 35.751 0.859 1.00 25.00 N ATOM 1547 CA TRP A 104 5.884 36.041 1.987 1.00 25.00 C ATOM 1548 C TRP A 104 6.068 37.466 2.580 1.00 25.00 C ATOM 1549 O TRP A 104 7.103 38.076 2.393 1.00 25.00 O ATOM 1550 CB TRP A 104 6.237 35.061 3.113 1.00 25.00 C ATOM 1551 CG TRP A 104 7.703 34.824 3.219 1.00 25.00 C ATOM 1552 CD1 TRP A 104 8.622 35.673 3.650 1.00 25.00 C ATOM 1553 CD2 TRP A 104 8.394 33.616 2.906 1.00 25.00 C ATOM 1554 NE1 TRP A 104 9.890 35.147 3.663 1.00 25.00 N ATOM 1555 CE2 TRP A 104 9.802 33.871 3.212 1.00 25.00 C ATOM 1556 CE3 TRP A 104 8.007 32.361 2.377 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 10.809 32.894 3.004 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 9.004 31.390 2.240 1.00 25.00 C ATOM 1559 CH2 TRP A 104 10.380 31.654 2.552 1.00 25.00 C ATOM 0 H TRP A 104 7.462 35.041 1.053 1.00 25.00 H new ATOM 0 HA TRP A 104 4.861 35.956 1.620 1.00 25.00 H new ATOM 0 HB2 TRP A 104 5.865 35.451 4.060 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.730 34.112 2.938 1.00 25.00 H new ATOM 0 HD1 TRP A 104 8.396 36.682 3.961 1.00 25.00 H new ATOM 0 HE1 TRP A 104 10.741 35.627 3.957 1.00 25.00 H new ATOM 0 HE3 TRP A 104 6.985 32.162 2.091 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 11.852 33.104 3.187 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 8.729 30.407 1.887 1.00 25.00 H new ATOM 0 HH2 TRP A 104 11.105 30.862 2.431 1.00 25.00 H new ATOM 1570 N ASP A 105 5.077 37.948 3.330 1.00 25.00 N ATOM 1571 CA ASP A 105 5.261 38.974 4.340 1.00 25.00 C ATOM 1572 C ASP A 105 5.865 38.293 5.569 1.00 25.00 C ATOM 1573 O ASP A 105 5.246 37.459 6.159 1.00 25.00 O ATOM 1574 CB ASP A 105 3.904 39.477 4.772 1.00 25.00 C ATOM 1575 CG ASP A 105 3.951 40.490 6.022 1.00 25.00 C ATOM 1576 OD1 ASP A 105 2.915 40.906 6.493 1.00 25.00 O ATOM 1577 OD2 ASP A 105 5.037 40.778 6.519 1.00 25.00 O1- ATOM 0 H ASP A 105 4.112 37.628 3.247 1.00 25.00 H new ATOM 0 HA ASP A 105 5.882 39.781 3.952 1.00 25.00 H new ATOM 0 HB2 ASP A 105 3.428 39.978 3.929 1.00 25.00 H new ATOM 0 HB3 ASP A 105 3.277 38.624 5.032 1.00 25.00 H new ATOM 1582 N PRO A 106 7.115 38.536 5.970 1.00 25.00 N ATOM 1583 CA PRO A 106 7.795 37.761 6.966 1.00 25.00 C ATOM 1584 C PRO A 106 7.184 37.829 8.355 1.00 25.00 C ATOM 1585 O PRO A 106 7.507 36.994 9.184 1.00 25.00 O ATOM 1586 CB PRO A 106 9.211 38.302 6.985 1.00 25.00 C ATOM 1587 CG PRO A 106 9.043 39.790 6.585 1.00 25.00 C ATOM 1588 CD PRO A 106 8.030 39.579 5.440 1.00 25.00 C ATOM 0 HA PRO A 106 7.731 36.705 6.706 1.00 25.00 H new ATOM 0 HB2 PRO A 106 9.665 38.201 7.971 1.00 25.00 H new ATOM 0 HB3 PRO A 106 9.852 37.769 6.283 1.00 25.00 H new ATOM 0 HG2 PRO A 106 8.652 40.408 7.393 1.00 25.00 H new ATOM 0 HG3 PRO A 106 9.973 40.251 6.253 1.00 25.00 H new ATOM 0 HD2 PRO A 106 7.495 40.499 5.204 1.00 25.00 H new ATOM 0 HD3 PRO A 106 8.523 39.252 4.524 1.00 25.00 H new ATOM 1596 N ASP A 107 6.472 38.904 8.621 1.00 25.00 N ATOM 1597 CA ASP A 107 5.845 39.058 9.885 1.00 25.00 C ATOM 1598 C ASP A 107 4.785 37.961 10.180 1.00 25.00 C ATOM 1599 O ASP A 107 4.390 37.750 11.339 1.00 25.00 O ATOM 1600 CB ASP A 107 5.096 40.411 10.001 1.00 25.00 C ATOM 1601 CG ASP A 107 4.587 40.658 11.407 1.00 25.00 C ATOM 1602 OD1 ASP A 107 3.343 40.864 11.600 1.00 75.00 O ATOM 1603 OD2 ASP A 107 5.431 40.776 12.288 1.00 75.00 O1- ATOM 0 H ASP A 107 6.322 39.674 7.970 1.00 25.00 H new ATOM 0 HA ASP A 107 6.668 38.992 10.597 1.00 25.00 H new ATOM 0 HB2 ASP A 107 5.764 41.222 9.709 1.00 25.00 H new ATOM 0 HB3 ASP A 107 4.258 40.422 9.304 1.00 25.00 H new ATOM 1608 N LYS A 108 4.376 37.261 9.140 1.00 25.00 N ATOM 1609 CA LYS A 108 3.302 36.243 9.237 1.00 25.00 C ATOM 1610 C LYS A 108 3.846 35.033 9.987 1.00 25.00 C ATOM 1611 O LYS A 108 5.083 34.863 9.963 1.00 25.00 O ATOM 1612 CB LYS A 108 2.825 35.847 7.847 1.00 25.00 C ATOM 1613 CG LYS A 108 1.966 36.919 7.247 1.00 25.00 C ATOM 1614 CD LYS A 108 1.480 36.510 5.927 1.00 25.00 C ATOM 1615 CE LYS A 108 0.467 37.492 5.370 1.00 25.00 C ATOM 1616 NZ LYS A 108 0.109 37.081 4.015 1.00 25.00 N1+ ATOM 0 H LYS A 108 4.764 37.367 8.203 1.00 25.00 H new ATOM 0 HA LYS A 108 2.448 36.652 9.778 1.00 25.00 H new ATOM 0 HB2 LYS A 108 3.685 35.662 7.203 1.00 25.00 H new ATOM 0 HB3 LYS A 108 2.263 34.915 7.904 1.00 25.00 H new ATOM 0 HG2 LYS A 108 1.121 37.126 7.904 1.00 25.00 H new ATOM 0 HG3 LYS A 108 2.536 37.844 7.160 1.00 25.00 H new ATOM 0 HD2 LYS A 108 2.322 36.427 5.240 1.00 25.00 H new ATOM 0 HD3 LYS A 108 1.027 35.521 5.997 1.00 25.00 H new ATOM 0 HE2 LYS A 108 -0.420 37.519 6.003 1.00 25.00 H new ATOM 0 HE3 LYS A 108 0.883 38.499 5.361 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 -0.586 37.748 3.622 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 0.960 37.076 3.417 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -0.303 36.126 4.039 1.00 25.00 H new ATOM 1630 N PRO A 109 2.973 34.189 10.495 1.00 25.00 N ATOM 1631 CA PRO A 109 3.235 32.788 10.884 1.00 25.00 C ATOM 1632 C PRO A 109 3.864 31.736 9.897 1.00 25.00 C ATOM 1633 O PRO A 109 3.655 30.557 10.085 1.00 25.00 O ATOM 1634 CB PRO A 109 1.816 32.234 11.190 1.00 25.00 C ATOM 1635 CG PRO A 109 1.172 33.249 11.587 1.00 25.00 C ATOM 1636 CD PRO A 109 1.518 34.396 10.691 1.00 25.00 C ATOM 0 HA PRO A 109 4.002 32.873 11.654 1.00 25.00 H new ATOM 0 HB2 PRO A 109 1.360 31.793 10.304 1.00 25.00 H new ATOM 0 HB3 PRO A 109 1.847 31.457 11.953 1.00 25.00 H new ATOM 0 HG2 PRO A 109 0.100 33.054 11.560 1.00 25.00 H new ATOM 0 HG3 PRO A 109 1.428 33.482 12.621 1.00 25.00 H new ATOM 0 HD2 PRO A 109 0.968 34.362 9.750 1.00 25.00 H new ATOM 0 HD3 PRO A 109 1.299 35.358 11.153 1.00 25.00 H new ATOM 1644 N LEU A 110 4.716 32.155 8.970 1.00 25.00 N ATOM 1645 CA LEU A 110 5.467 31.343 7.978 1.00 25.00 C ATOM 1646 C LEU A 110 5.497 29.806 8.025 1.00 25.00 C ATOM 1647 O LEU A 110 5.081 29.119 7.095 1.00 25.00 O ATOM 1648 CB LEU A 110 6.961 31.797 8.025 1.00 25.00 C ATOM 1649 CG LEU A 110 7.451 32.803 7.031 1.00 25.00 C ATOM 1650 CD1 LEU A 110 6.723 34.181 6.995 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.966 33.027 7.221 1.00 50.00 C ATOM 0 H LEU A 110 4.928 33.148 8.871 1.00 25.00 H new ATOM 0 HA LEU A 110 4.886 31.543 7.078 1.00 25.00 H new ATOM 0 HB2 LEU A 110 7.150 32.200 9.020 1.00 25.00 H new ATOM 0 HB3 LEU A 110 7.578 30.905 7.920 1.00 25.00 H new ATOM 0 HG LEU A 110 7.215 32.353 6.067 1.00 25.00 H new ATOM 0 HD11 LEU A 110 7.177 34.813 6.232 1.00 50.00 H new ATOM 0 HD12 LEU A 110 5.669 34.030 6.761 1.00 50.00 H new ATOM 0 HD13 LEU A 110 6.813 34.665 7.967 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.319 33.760 6.496 1.00 50.00 H new ATOM 0 HD22 LEU A 110 9.156 33.394 8.230 1.00 50.00 H new ATOM 0 HD23 LEU A 110 9.495 32.085 7.072 1.00 50.00 H new ATOM 1663 N LYS A 111 5.844 29.169 9.143 1.00 25.00 N ATOM 1664 CA LYS A 111 5.874 27.653 9.252 1.00 25.00 C ATOM 1665 C LYS A 111 4.407 27.085 9.132 1.00 25.00 C ATOM 1666 O LYS A 111 4.258 25.906 8.869 1.00 25.00 O ATOM 1667 CB LYS A 111 6.529 27.139 10.562 1.00 25.00 C ATOM 1668 CG LYS A 111 5.735 27.252 11.865 1.00 25.00 C ATOM 1669 CD LYS A 111 6.304 26.774 13.158 1.00 25.00 C ATOM 1670 CE LYS A 111 7.299 27.723 13.824 1.00 25.00 C ATOM 1671 NZ LYS A 111 7.821 27.313 15.190 1.00 25.00 N1+ ATOM 0 H LYS A 111 6.113 29.650 10.002 1.00 25.00 H new ATOM 0 HA LYS A 111 6.495 27.293 8.432 1.00 25.00 H new ATOM 0 HB2 LYS A 111 6.782 26.089 10.417 1.00 25.00 H new ATOM 0 HB3 LYS A 111 7.467 27.677 10.697 1.00 25.00 H new ATOM 0 HG2 LYS A 111 5.486 28.305 11.996 1.00 25.00 H new ATOM 0 HG3 LYS A 111 4.796 26.719 11.713 1.00 25.00 H new ATOM 0 HD2 LYS A 111 5.483 26.590 13.851 1.00 25.00 H new ATOM 0 HD3 LYS A 111 6.798 25.817 12.987 1.00 25.00 H new ATOM 0 HE2 LYS A 111 8.152 27.846 13.156 1.00 25.00 H new ATOM 0 HE3 LYS A 111 6.826 28.700 13.920 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 8.486 28.033 15.538 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 7.025 27.226 15.854 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 8.310 26.398 15.115 1.00 25.00 H new ATOM 1685 N ARG A 112 3.447 27.964 9.313 1.00 25.00 N ATOM 1686 CA ARG A 112 2.012 27.662 9.133 1.00 25.00 C ATOM 1687 C ARG A 112 1.539 28.455 7.915 1.00 25.00 C ATOM 1688 O ARG A 112 0.964 27.830 6.996 1.00 25.00 O ATOM 1689 CB ARG A 112 1.247 28.252 10.340 1.00 25.00 C ATOM 1690 CG ARG A 112 1.633 27.703 11.738 1.00 25.00 C ATOM 1691 CD ARG A 112 0.953 28.498 12.840 1.00 25.00 C ATOM 1692 NE ARG A 112 -0.516 28.294 12.900 1.00 25.00 N ATOM 1693 CZ ARG A 112 -1.320 28.846 13.774 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -2.541 28.551 13.779 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -0.936 29.807 14.551 1.00 25.00 N ATOM 0 H ARG A 112 3.626 28.928 9.594 1.00 25.00 H new ATOM 0 HA ARG A 112 1.850 26.589 9.030 1.00 25.00 H new ATOM 0 HB2 ARG A 112 1.396 29.332 10.344 1.00 25.00 H new ATOM 0 HB3 ARG A 112 0.182 28.078 10.187 1.00 25.00 H new ATOM 0 HG2 ARG A 112 1.348 26.654 11.812 1.00 25.00 H new ATOM 0 HG3 ARG A 112 2.715 27.749 11.865 1.00 25.00 H new ATOM 0 HD2 ARG A 112 1.389 28.220 13.799 1.00 25.00 H new ATOM 0 HD3 ARG A 112 1.158 29.558 12.692 1.00 25.00 H new ATOM 0 HE ARG A 112 -0.933 27.674 12.205 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -2.907 27.881 13.102 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -3.167 28.981 14.460 1.00 25.00 H new ATOM 0 HH21 ARG A 112 0.020 30.158 14.494 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -1.589 30.214 15.220 1.00 25.00 H new ATOM 1709 N ALA A 113 1.709 29.757 7.963 1.00 25.00 N ATOM 1710 CA ALA A 113 1.087 30.629 6.996 1.00 25.00 C ATOM 1711 C ALA A 113 1.504 30.409 5.574 1.00 25.00 C ATOM 1712 O ALA A 113 0.710 30.696 4.661 1.00 25.00 O ATOM 1713 CB ALA A 113 1.223 32.043 7.363 1.00 25.00 C ATOM 0 H ALA A 113 2.275 30.235 8.664 1.00 25.00 H new ATOM 0 HA ALA A 113 0.034 30.350 7.034 1.00 25.00 H new ATOM 0 HB1 ALA A 113 0.741 32.663 6.607 1.00 25.00 H new ATOM 0 HB2 ALA A 113 0.750 32.215 8.330 1.00 25.00 H new ATOM 0 HB3 ALA A 113 2.280 32.303 7.425 1.00 25.00 H new ATOM 1719 N ASP A 114 2.673 29.860 5.317 1.00 25.00 N ATOM 1720 CA ASP A 114 3.103 29.592 3.973 1.00 25.00 C ATOM 1721 C ASP A 114 2.343 28.466 3.265 1.00 25.00 C ATOM 1722 O ASP A 114 2.629 28.266 2.119 1.00 25.00 O ATOM 1723 CB ASP A 114 4.600 29.273 3.878 1.00 25.00 C ATOM 1724 CG ASP A 114 5.510 30.433 4.381 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.685 30.189 4.643 1.00 25.00 O ATOM 1726 OD2 ASP A 114 5.106 31.595 4.459 1.00 25.00 O1- ATOM 0 H ASP A 114 3.345 29.590 6.035 1.00 25.00 H new ATOM 0 HA ASP A 114 2.879 30.529 3.463 1.00 25.00 H new ATOM 0 HB2 ASP A 114 4.811 28.376 4.460 1.00 25.00 H new ATOM 0 HB3 ASP A 114 4.851 29.047 2.842 1.00 25.00 H new ATOM 1731 N PHE A 115 1.426 27.728 3.871 1.00 25.00 N ATOM 1732 CA PHE A 115 0.768 26.588 3.243 1.00 25.00 C ATOM 1733 C PHE A 115 -0.721 26.838 3.147 1.00 25.00 C ATOM 1734 O PHE A 115 -1.364 27.330 4.049 1.00 25.00 O ATOM 1735 CB PHE A 115 1.072 25.386 4.141 1.00 25.00 C ATOM 1736 CG PHE A 115 2.497 25.091 4.342 1.00 25.00 C ATOM 1737 CD1 PHE A 115 3.248 25.739 5.372 1.00 50.00 C ATOM 1738 CD2 PHE A 115 3.165 24.116 3.556 1.00 50.00 C ATOM 1739 CE1 PHE A 115 4.579 25.460 5.629 1.00 25.00 C ATOM 1740 CE2 PHE A 115 4.445 23.798 3.813 1.00 25.00 C ATOM 1741 CZ PHE A 115 5.236 24.531 4.779 1.00 25.00 C ATOM 0 H PHE A 115 1.112 27.905 4.825 1.00 25.00 H new ATOM 0 HA PHE A 115 1.124 26.416 2.227 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.613 25.557 5.115 1.00 25.00 H new ATOM 0 HB3 PHE A 115 0.593 24.505 3.714 1.00 25.00 H new ATOM 0 HD1 PHE A 115 2.752 26.482 5.979 1.00 50.00 H new ATOM 0 HD2 PHE A 115 2.642 23.627 2.747 1.00 50.00 H new ATOM 0 HE1 PHE A 115 5.100 25.933 6.448 1.00 25.00 H new ATOM 0 HE2 PHE A 115 4.897 22.972 3.284 1.00 25.00 H new ATOM 0 HZ PHE A 115 6.302 24.375 4.852 1.00 25.00 H new ATOM 1751 N GLU A 116 -1.350 26.257 2.124 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.800 26.153 2.014 1.00 25.00 C ATOM 1753 C GLU A 116 -3.213 24.834 1.403 1.00 25.00 C ATOM 1754 O GLU A 116 -2.511 24.291 0.573 1.00 25.00 O ATOM 1755 CB GLU A 116 -3.327 27.390 1.298 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.867 27.494 -0.169 1.00 25.00 C ATOM 1757 CD GLU A 116 -3.588 28.588 -0.949 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.666 29.745 -0.394 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -4.202 28.346 -2.000 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.854 25.839 1.337 1.00 25.00 H new ATOM 0 HA GLU A 116 -3.263 26.140 3.000 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -4.417 27.381 1.329 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.000 28.279 1.837 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -1.794 27.686 -0.194 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -3.031 26.536 -0.663 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.380 24.345 1.789 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.850 23.066 1.280 1.00 25.00 C ATOM 1768 C LEU A 117 -5.354 23.256 -0.140 1.00 25.00 C ATOM 1769 O LEU A 117 -6.180 24.108 -0.295 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.057 22.556 2.126 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.577 21.095 2.014 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.469 20.121 2.583 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.866 20.949 2.835 1.00 50.00 C ATOM 0 H LEU A 117 -5.012 24.806 2.444 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.027 22.353 1.325 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.800 22.720 3.173 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.900 23.209 1.899 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.788 20.849 0.973 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -5.819 19.091 2.512 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -4.553 20.234 2.004 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.271 20.365 3.627 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.232 19.925 2.758 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.661 21.183 3.880 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.621 21.635 2.451 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.839 22.533 -1.076 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.285 22.698 -2.463 1.00 25.00 C ATOM 1787 C ILE A 118 -6.372 21.621 -2.679 1.00 25.00 C ATOM 1788 O ILE A 118 -7.110 21.706 -3.639 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.065 22.743 -3.437 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.395 23.506 -4.756 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.373 21.366 -3.625 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -3.236 23.694 -5.682 1.00 25.00 C ATOM 0 H ILE A 118 -4.118 21.826 -0.934 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.754 23.656 -2.687 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.295 23.343 -2.953 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.180 22.965 -5.285 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -4.800 24.485 -4.500 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.535 21.471 -4.314 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.009 21.007 -2.662 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.089 20.651 -4.031 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -3.564 24.234 -6.570 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -2.456 24.264 -5.178 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -2.842 22.721 -5.974 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.493 20.690 -1.753 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.653 19.878 -1.695 1.00 25.00 C ATOM 1806 C GLY A 119 -7.564 18.636 -0.857 1.00 25.00 C ATOM 1807 O GLY A 119 -6.600 18.361 -0.216 1.00 25.00 O ATOM 0 H GLY A 119 -5.793 20.491 -1.039 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.475 20.486 -1.317 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.914 19.585 -2.712 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.715 18.002 -0.738 1.00 25.00 N ATOM 1812 CA ALA A 120 -8.852 16.714 -0.009 1.00 25.00 C ATOM 1813 C ALA A 120 -10.085 15.941 -0.475 1.00 25.00 C ATOM 1814 O ALA A 120 -11.134 16.584 -0.680 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.003 16.927 1.501 1.00 25.00 C ATOM 0 H ALA A 120 -9.589 18.347 -1.135 1.00 25.00 H new ATOM 0 HA ALA A 120 -7.941 16.154 -0.222 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.100 15.961 1.997 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.124 17.445 1.885 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -9.892 17.527 1.697 1.00 25.00 H new ATOM 1821 N VAL A 121 -9.935 14.652 -0.766 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.003 13.876 -1.393 1.00 25.00 C ATOM 1823 C VAL A 121 -11.026 12.530 -0.625 1.00 25.00 C ATOM 1824 O VAL A 121 -9.938 12.032 -0.336 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.752 13.626 -3.003 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -12.001 12.982 -3.661 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.513 14.950 -3.726 1.00 50.00 C ATOM 0 H VAL A 121 -9.084 14.122 -0.578 1.00 25.00 H new ATOM 0 HA VAL A 121 -11.951 14.410 -1.336 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.884 12.972 -3.089 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.813 12.826 -4.723 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.210 12.024 -3.185 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.859 13.643 -3.538 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.350 14.761 -4.787 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.383 15.595 -3.602 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.635 15.441 -3.306 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.208 12.032 -0.139 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.253 10.662 0.455 1.00 25.00 C ATOM 1839 C PRO A 122 -12.382 9.512 -0.523 1.00 25.00 C ATOM 1840 O PRO A 122 -12.692 9.631 -1.728 1.00 25.00 O ATOM 1841 CB PRO A 122 -13.436 10.795 1.393 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.379 11.599 0.618 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.568 12.642 -0.134 1.00 25.00 C ATOM 0 HA PRO A 122 -11.313 10.385 0.932 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -13.854 9.823 1.656 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.159 11.285 2.326 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -14.939 10.973 -0.077 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.107 12.077 1.274 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -13.947 12.803 -1.143 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.580 13.609 0.369 1.00 25.00 H new ATOM 1851 N HIS A 123 -12.082 8.332 -0.001 1.00 25.00 N ATOM 1852 CA HIS A 123 -12.092 7.129 -0.815 1.00 25.00 C ATOM 1853 C HIS A 123 -13.515 6.623 -0.903 1.00 25.00 C ATOM 1854 O HIS A 123 -14.274 6.682 0.075 1.00 25.00 O ATOM 1855 CB HIS A 123 -11.216 6.031 -0.122 1.00 25.00 C ATOM 1856 CG HIS A 123 -11.049 4.780 -0.941 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -11.954 3.721 -0.953 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -10.073 4.419 -1.846 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -11.575 2.814 -1.870 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -10.468 3.242 -2.424 1.00 25.00 N ATOM 0 H HIS A 123 -11.830 8.183 0.976 1.00 25.00 H new ATOM 0 HA HIS A 123 -11.698 7.347 -1.808 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -10.232 6.447 0.093 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.668 5.770 0.835 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -9.165 4.964 -2.059 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -12.091 1.896 -2.108 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -9.971 2.767 -3.178 1.00 25.00 H new ATOM 1868 N ASP A 124 -13.890 6.236 -2.147 1.00 25.00 N ATOM 1869 CA ASP A 124 -15.250 5.822 -2.553 1.00 25.00 C ATOM 1870 C ASP A 124 -16.309 6.899 -2.146 1.00 25.00 C ATOM 1871 O ASP A 124 -17.424 6.600 -1.705 1.00 25.00 O ATOM 1872 CB ASP A 124 -15.579 4.423 -2.027 1.00 25.00 C ATOM 1873 CG ASP A 124 -16.909 3.961 -2.535 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -17.150 4.114 -3.751 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -17.697 3.337 -1.795 1.00 50.00 O1- ATOM 0 H ASP A 124 -13.227 6.203 -2.921 1.00 25.00 H new ATOM 0 HA ASP A 124 -15.285 5.755 -3.640 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -14.804 3.722 -2.336 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -15.584 4.432 -0.937 1.00 25.00 H new ATOM 1880 N GLY A 125 -15.919 8.189 -2.145 1.00 25.00 N ATOM 1881 CA GLY A 125 -16.729 9.204 -1.559 1.00 25.00 C ATOM 1882 C GLY A 125 -18.014 9.355 -2.399 1.00 25.00 C ATOM 1883 O GLY A 125 -18.151 8.785 -3.456 1.00 25.00 O ATOM 0 H GLY A 125 -15.045 8.524 -2.550 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -16.978 8.942 -0.531 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -16.186 10.149 -1.525 1.00 25.00 H new ATOM 1887 N SER A 126 -19.009 10.044 -1.802 1.00 25.00 N ATOM 1888 CA SER A 126 -20.328 10.107 -2.494 1.00 25.00 C ATOM 1889 C SER A 126 -20.273 10.884 -3.805 1.00 25.00 C ATOM 1890 O SER A 126 -21.039 10.511 -4.690 1.00 25.00 O ATOM 1891 CB SER A 126 -21.336 10.863 -1.652 1.00 25.00 C ATOM 1892 OG SER A 126 -22.603 10.730 -2.237 1.00 25.00 O ATOM 0 H SER A 126 -18.945 10.533 -0.909 1.00 25.00 H new ATOM 0 HA SER A 126 -20.603 9.067 -2.666 1.00 25.00 H new ATOM 0 HB2 SER A 126 -21.347 10.472 -0.635 1.00 25.00 H new ATOM 0 HB3 SER A 126 -21.059 11.915 -1.586 1.00 25.00 H new ATOM 0 HG SER A 126 -23.264 11.214 -1.699 1.00 25.00 H new ATOM 1898 N PRO A 127 -19.498 12.021 -3.915 1.00 25.00 N ATOM 1899 CA PRO A 127 -19.825 12.685 -5.194 1.00 25.00 C ATOM 1900 C PRO A 127 -19.063 11.951 -6.317 1.00 25.00 C ATOM 1901 O PRO A 127 -18.072 11.297 -6.094 1.00 25.00 O ATOM 1902 CB PRO A 127 -19.227 14.035 -4.991 1.00 25.00 C ATOM 1903 CG PRO A 127 -18.062 13.812 -4.120 1.00 25.00 C ATOM 1904 CD PRO A 127 -18.448 12.753 -3.202 1.00 25.00 C ATOM 0 HA PRO A 127 -20.883 12.703 -5.454 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -18.930 14.481 -5.940 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -19.941 14.717 -4.528 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -17.188 13.524 -4.703 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -17.799 14.721 -3.579 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.604 12.106 -2.963 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -18.816 13.158 -2.259 1.00 25.00 H new ATOM 1912 N ALA A 128 -19.541 12.154 -7.555 1.00 25.00 N ATOM 1913 CA ALA A 128 -18.914 11.548 -8.767 1.00 25.00 C ATOM 1914 C ALA A 128 -17.395 11.811 -8.890 1.00 25.00 C ATOM 1915 O ALA A 128 -16.596 11.149 -9.493 1.00 25.00 O ATOM 1916 CB ALA A 128 -19.620 11.866 -10.089 1.00 25.00 C ATOM 0 H ALA A 128 -20.358 12.731 -7.755 1.00 25.00 H new ATOM 0 HA ALA A 128 -19.052 10.482 -8.589 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -19.091 11.382 -10.910 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -20.645 11.498 -10.051 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -19.627 12.944 -10.248 1.00 25.00 H new ATOM 1922 N SER A 129 -17.037 12.925 -8.263 1.00 25.00 N ATOM 1923 CA SER A 129 -15.649 13.373 -8.092 1.00 25.00 C ATOM 1924 C SER A 129 -14.652 12.628 -7.233 1.00 25.00 C ATOM 1925 O SER A 129 -13.503 13.029 -7.126 1.00 25.00 O ATOM 1926 CB SER A 129 -15.729 14.754 -7.416 1.00 25.00 C ATOM 1927 OG SER A 129 -16.797 15.510 -7.987 1.00 25.00 O ATOM 0 H SER A 129 -17.716 13.562 -7.847 1.00 25.00 H new ATOM 0 HA SER A 129 -15.264 13.260 -9.106 1.00 25.00 H new ATOM 0 HB2 SER A 129 -15.887 14.636 -6.344 1.00 25.00 H new ATOM 0 HB3 SER A 129 -14.786 15.286 -7.542 1.00 25.00 H new ATOM 0 HG SER A 129 -16.845 16.387 -7.553 1.00 25.00 H new ATOM 1933 N ARG A 130 -15.081 11.498 -6.676 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.194 10.591 -5.870 1.00 25.00 C ATOM 1935 C ARG A 130 -12.920 10.005 -6.454 1.00 25.00 C ATOM 1936 O ARG A 130 -12.160 9.252 -5.822 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.034 9.416 -5.372 1.00 25.00 C ATOM 1938 CG ARG A 130 -15.502 8.520 -6.481 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.448 7.393 -6.013 1.00 25.00 C ATOM 1940 NE ARG A 130 -16.892 6.669 -7.212 1.00 25.00 N ATOM 1941 CZ ARG A 130 -17.918 5.816 -7.279 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -18.568 5.315 -6.280 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -18.339 5.562 -8.502 1.00 25.00 N ATOM 0 H ARG A 130 -16.042 11.166 -6.756 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.814 11.286 -5.121 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -14.448 8.832 -4.663 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -15.900 9.798 -4.831 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -16.013 9.123 -7.232 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -14.634 8.075 -6.967 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.934 6.720 -5.326 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -17.302 7.806 -5.476 1.00 25.00 H new ATOM 0 HE ARG A 130 -16.369 6.833 -8.072 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -18.309 5.566 -5.326 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -19.340 4.669 -6.446 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -17.885 6.006 -9.300 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -19.119 4.921 -8.650 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.535 10.395 -7.667 1.00 25.00 N ATOM 1958 CA ASN A 131 -11.353 9.885 -8.355 1.00 25.00 C ATOM 1959 C ASN A 131 -9.965 10.336 -7.978 1.00 25.00 C ATOM 1960 O ASN A 131 -9.791 11.479 -7.437 1.00 25.00 O ATOM 1961 CB ASN A 131 -11.495 10.141 -9.844 1.00 25.00 C ATOM 1962 CG ASN A 131 -12.759 9.534 -10.451 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.083 8.355 -10.398 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.517 10.366 -11.054 1.00 25.00 N ATOM 0 H ASN A 131 -13.048 11.090 -8.210 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.375 8.846 -8.025 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -11.498 11.217 -10.021 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -10.624 9.735 -10.359 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.384 10.046 -11.486 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.256 11.351 -11.104 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.022 9.381 -8.005 1.00 25.00 N ATOM 1972 CA LEU A 132 -7.712 9.561 -7.384 1.00 25.00 C ATOM 1973 C LEU A 132 -6.952 10.603 -8.247 1.00 25.00 C ATOM 1974 O LEU A 132 -6.290 11.522 -7.769 1.00 25.00 O ATOM 1975 CB LEU A 132 -6.869 8.260 -7.315 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.880 7.505 -5.990 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -8.153 6.766 -5.592 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -5.709 6.535 -6.104 1.00 75.00 C ATOM 0 H LEU A 132 -9.149 8.474 -8.454 1.00 25.00 H new ATOM 0 HA LEU A 132 -7.862 9.880 -6.353 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -7.222 7.584 -8.094 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -5.836 8.511 -7.555 1.00 25.00 H new ATOM 0 HG LEU A 132 -6.810 8.240 -5.188 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -8.005 6.280 -4.628 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -8.977 7.475 -5.518 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -8.388 6.014 -6.345 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.636 5.944 -5.191 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -5.867 5.872 -6.954 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -4.785 7.095 -6.248 1.00 75.00 H new ATOM 1990 N SER A 133 -7.318 10.699 -9.529 1.00 25.00 N ATOM 1991 CA SER A 133 -6.914 11.709 -10.421 1.00 25.00 C ATOM 1992 C SER A 133 -7.910 12.898 -10.386 1.00 25.00 C ATOM 1993 O SER A 133 -9.089 12.738 -10.647 1.00 25.00 O ATOM 1994 CB SER A 133 -6.775 10.996 -11.745 1.00 25.00 C ATOM 1995 OG SER A 133 -6.476 11.962 -12.755 1.00 25.00 O ATOM 0 H SER A 133 -7.940 10.018 -9.965 1.00 25.00 H new ATOM 0 HA SER A 133 -5.967 12.188 -10.172 1.00 25.00 H new ATOM 0 HB2 SER A 133 -5.984 10.248 -11.691 1.00 25.00 H new ATOM 0 HB3 SER A 133 -7.697 10.467 -11.988 1.00 25.00 H new ATOM 0 HG SER A 133 -5.704 12.498 -12.477 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.366 14.074 -10.190 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.049 15.297 -10.448 1.00 25.00 C ATOM 2003 C HIS A 134 -7.342 16.319 -11.399 1.00 25.00 C ATOM 2004 O HIS A 134 -6.118 16.332 -11.462 1.00 25.00 O ATOM 2005 CB HIS A 134 -8.284 16.073 -9.164 1.00 25.00 C ATOM 2006 CG HIS A 134 -9.445 15.594 -8.365 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -10.233 16.479 -7.650 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -10.028 14.387 -8.290 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -11.264 15.780 -7.135 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -11.181 14.512 -7.514 1.00 25.00 N ATOM 0 H HIS A 134 -6.416 14.200 -9.839 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.956 14.940 -10.937 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.386 16.016 -8.549 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -8.436 17.124 -9.410 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.668 13.479 -8.750 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -12.041 16.191 -6.508 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -11.838 13.767 -7.282 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.120 17.187 -12.039 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.546 18.309 -12.764 1.00 25.00 C ATOM 2020 C HIS A 135 -7.195 19.404 -11.755 1.00 25.00 C ATOM 2021 O HIS A 135 -8.133 19.710 -11.032 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.544 18.894 -13.816 1.00 25.00 C ATOM 2023 CG HIS A 135 -8.922 17.908 -14.887 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.227 17.772 -16.074 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -9.825 16.873 -14.861 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -8.745 16.765 -16.748 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.674 16.216 -16.040 1.00 25.00 N ATOM 0 H HIS A 135 -9.138 17.134 -12.069 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.662 17.959 -13.298 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.446 19.228 -13.304 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.097 19.773 -14.281 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -10.514 16.631 -14.065 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -8.441 16.450 -17.735 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -10.219 15.402 -16.326 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.014 19.934 -11.652 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.683 20.963 -10.678 1.00 25.00 C ATOM 2037 C ILE A 136 -5.126 22.132 -11.477 1.00 25.00 C ATOM 2038 O ILE A 136 -4.233 21.964 -12.331 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.596 20.476 -9.619 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -5.165 19.321 -8.776 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.028 21.627 -8.807 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -6.350 19.620 -7.876 1.00 25.00 C ATOM 0 H ILE A 136 -5.230 19.667 -12.247 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.571 21.228 -10.104 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.732 20.077 -10.151 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.455 18.520 -9.457 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.360 18.933 -8.152 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.292 21.245 -8.100 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.551 22.343 -9.476 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -4.833 22.120 -8.262 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -6.641 18.714 -7.345 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -6.075 20.390 -7.156 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -7.186 19.971 -8.480 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.637 23.344 -11.263 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.151 24.515 -11.913 1.00 25.00 C ATOM 2056 C TYR A 137 -3.878 25.110 -11.244 1.00 25.00 C ATOM 2057 O TYR A 137 -3.876 25.310 -9.984 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.231 25.610 -11.775 1.00 25.00 C ATOM 2059 CG TYR A 137 -5.852 26.857 -12.487 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -5.269 27.927 -11.802 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -5.880 26.907 -13.930 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -4.832 29.095 -12.498 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.383 28.052 -14.675 1.00 25.00 C ATOM 2064 CZ TYR A 137 -4.889 29.135 -13.938 1.00 25.00 C ATOM 2065 OH TYR A 137 -4.506 30.319 -14.455 1.00 25.00 O ATOM 0 H TYR A 137 -6.410 23.520 -10.621 1.00 25.00 H new ATOM 0 HA TYR A 137 -4.917 24.231 -12.939 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.176 25.239 -12.171 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -6.392 25.830 -10.720 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -5.147 27.870 -10.730 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.284 26.066 -14.474 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -4.460 29.946 -11.947 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.394 28.067 -15.755 1.00 25.00 H new ATOM 0 HH TYR A 137 -4.565 30.284 -15.433 1.00 25.00 H new ATOM 2075 N ILE A 138 -2.839 25.322 -12.049 1.00 25.00 N ATOM 2076 CA ILE A 138 -1.523 25.908 -11.779 1.00 25.00 C ATOM 2077 C ILE A 138 -1.562 27.302 -12.370 1.00 25.00 C ATOM 2078 O ILE A 138 -1.782 27.415 -13.575 1.00 25.00 O ATOM 2079 CB ILE A 138 -0.334 25.020 -12.432 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.386 23.509 -12.059 1.00 25.00 C ATOM 2081 CG2 ILE A 138 1.043 25.727 -12.142 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.188 23.254 -10.568 1.00 25.00 C ATOM 0 H ILE A 138 -2.907 25.053 -13.031 1.00 25.00 H new ATOM 0 HA ILE A 138 -1.315 25.938 -10.709 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.475 24.986 -13.512 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.347 23.098 -12.367 1.00 25.00 H new ATOM 0 HG13 ILE A 138 0.383 22.976 -12.618 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.852 25.140 -12.576 1.00 25.00 H new ATOM 0 HG22 ILE A 138 1.041 26.723 -12.584 1.00 25.00 H new ATOM 0 HG23 ILE A 138 1.191 25.808 -11.065 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.235 22.183 -10.373 1.00 25.00 H new ATOM 0 HD12 ILE A 138 0.785 23.637 -10.259 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -0.972 23.760 -10.005 1.00 25.00 H new ATOM 2094 N PRO A 139 -1.444 28.316 -11.524 1.00 25.00 N ATOM 2095 CA PRO A 139 -1.381 29.611 -12.223 1.00 25.00 C ATOM 2096 C PRO A 139 -0.144 29.859 -13.026 1.00 25.00 C ATOM 2097 O PRO A 139 0.836 29.232 -12.760 1.00 25.00 O ATOM 2098 CB PRO A 139 -1.537 30.621 -11.090 1.00 25.00 C ATOM 2099 CG PRO A 139 -0.910 30.029 -10.013 1.00 25.00 C ATOM 2100 CD PRO A 139 -1.305 28.522 -10.108 1.00 25.00 C ATOM 0 HA PRO A 139 -2.152 29.669 -12.992 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -1.076 31.576 -11.343 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -2.587 30.821 -10.878 1.00 25.00 H new ATOM 0 HG2 PRO A 139 0.171 30.159 -10.063 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -1.241 30.467 -9.071 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -0.539 27.876 -9.679 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -2.233 28.313 -9.576 1.00 25.00 H new ATOM 2108 N GLU A 140 -0.207 30.746 -13.980 1.00 25.00 N ATOM 2109 CA GLU A 140 0.880 30.920 -14.962 1.00 25.00 C ATOM 2110 C GLU A 140 1.476 32.283 -14.808 1.00 25.00 C ATOM 2111 O GLU A 140 2.142 32.838 -15.694 1.00 25.00 O ATOM 2112 CB GLU A 140 0.320 30.668 -16.396 1.00 25.00 C ATOM 2113 CG GLU A 140 1.367 30.143 -17.385 1.00 25.00 C ATOM 2114 CD GLU A 140 0.880 29.517 -18.673 1.00 25.00 C ATOM 2115 OE1 GLU A 140 1.339 28.408 -18.988 1.00 25.00 O ATOM 2116 OE2 GLU A 140 0.165 30.146 -19.487 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.998 31.375 -14.117 1.00 25.00 H new ATOM 0 HA GLU A 140 1.678 30.197 -14.790 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -0.500 29.952 -16.335 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -0.097 31.598 -16.782 1.00 25.00 H new ATOM 0 HG2 GLU A 140 2.025 30.972 -17.645 1.00 25.00 H new ATOM 0 HG3 GLU A 140 1.976 29.404 -16.865 1.00 25.00 H new ATOM 2123 N ASP A 141 1.032 32.937 -13.708 1.00 25.00 N ATOM 2124 CA ASP A 141 1.358 34.386 -13.484 1.00 25.00 C ATOM 2125 C ASP A 141 2.754 34.712 -13.015 1.00 25.00 C ATOM 2126 O ASP A 141 3.137 35.904 -12.944 1.00 25.00 O ATOM 2127 CB ASP A 141 0.385 34.973 -12.479 1.00 25.00 C ATOM 2128 CG ASP A 141 0.608 34.491 -11.069 1.00 25.00 C ATOM 2129 OD1 ASP A 141 0.922 33.322 -10.882 1.00 50.00 O ATOM 2130 OD2 ASP A 141 0.482 35.271 -10.146 1.00 50.00 O1- ATOM 0 H ASP A 141 0.464 32.510 -12.976 1.00 25.00 H new ATOM 0 HA ASP A 141 1.277 34.823 -14.479 1.00 25.00 H new ATOM 0 HB2 ASP A 141 0.466 36.060 -12.499 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -0.632 34.724 -12.782 1.00 25.00 H new ATOM 2135 N ARG A 142 3.521 33.715 -12.672 1.00 25.00 N ATOM 2136 CA ARG A 142 4.913 33.880 -12.214 1.00 25.00 C ATOM 2137 C ARG A 142 5.632 32.632 -12.734 1.00 25.00 C ATOM 2138 O ARG A 142 5.017 31.694 -13.175 1.00 25.00 O ATOM 2139 CB ARG A 142 4.896 33.827 -10.688 1.00 25.00 C ATOM 2140 CG ARG A 142 4.253 35.009 -9.953 1.00 25.00 C ATOM 2141 CD ARG A 142 3.943 34.622 -8.523 1.00 25.00 C ATOM 2142 NE ARG A 142 3.369 35.728 -7.746 1.00 25.00 N ATOM 2143 CZ ARG A 142 4.050 36.757 -7.157 1.00 25.00 C ATOM 2144 NH1 ARG A 142 3.365 37.805 -6.695 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 5.354 36.837 -7.046 1.00 25.00 N ATOM 0 H ARG A 142 3.212 32.743 -12.696 1.00 25.00 H new ATOM 0 HA ARG A 142 5.380 34.806 -12.550 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.375 32.918 -10.387 1.00 25.00 H new ATOM 0 HB3 ARG A 142 5.925 33.733 -10.342 1.00 25.00 H new ATOM 0 HG2 ARG A 142 4.925 35.867 -9.969 1.00 25.00 H new ATOM 0 HG3 ARG A 142 3.338 35.311 -10.463 1.00 25.00 H new ATOM 0 HD2 ARG A 142 3.247 33.783 -8.521 1.00 25.00 H new ATOM 0 HD3 ARG A 142 4.857 34.279 -8.038 1.00 25.00 H new ATOM 0 HE ARG A 142 2.355 35.729 -7.634 1.00 25.00 H new ATOM 0 HH11 ARG A 142 2.349 37.830 -6.784 1.00 25.00 H new ATOM 0 HH12 ARG A 142 3.857 38.581 -6.253 1.00 25.00 H new ATOM 0 HH21 ARG A 142 5.944 36.092 -7.416 1.00 25.00 H new ATOM 0 HH22 ARG A 142 5.778 37.644 -6.590 1.00 25.00 H new ATOM 2159 N LEU A 143 6.946 32.661 -12.614 1.00 25.00 N ATOM 2160 CA LEU A 143 7.816 31.501 -12.640 1.00 25.00 C ATOM 2161 C LEU A 143 8.316 31.472 -11.203 1.00 25.00 C ATOM 2162 O LEU A 143 8.775 32.554 -10.739 1.00 25.00 O ATOM 2163 CB LEU A 143 8.961 31.535 -13.692 1.00 25.00 C ATOM 2164 CG LEU A 143 10.124 32.514 -13.761 1.00 25.00 C ATOM 2165 CD1 LEU A 143 11.198 31.951 -14.710 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.695 33.937 -14.170 1.00 50.00 C ATOM 0 H LEU A 143 7.459 33.534 -12.490 1.00 25.00 H new ATOM 0 HA LEU A 143 7.294 30.600 -12.961 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.419 30.547 -13.650 1.00 25.00 H new ATOM 0 HB3 LEU A 143 8.462 31.614 -14.658 1.00 25.00 H new ATOM 0 HG LEU A 143 10.538 32.617 -12.758 1.00 25.00 H new ATOM 0 HD11 LEU A 143 12.035 32.647 -14.765 1.00 50.00 H new ATOM 0 HD12 LEU A 143 11.549 30.990 -14.333 1.00 50.00 H new ATOM 0 HD13 LEU A 143 10.771 31.817 -15.704 1.00 50.00 H new ATOM 0 HD21 LEU A 143 10.570 34.586 -14.201 1.00 50.00 H new ATOM 0 HD22 LEU A 143 9.230 33.908 -15.156 1.00 50.00 H new ATOM 0 HD23 LEU A 143 8.981 34.325 -13.443 1.00 50.00 H new ATOM 2178 N GLY A 144 8.278 30.345 -10.553 1.00 25.00 N ATOM 2179 CA GLY A 144 8.935 30.237 -9.253 1.00 25.00 C ATOM 2180 C GLY A 144 8.887 28.851 -8.665 1.00 25.00 C ATOM 2181 O GLY A 144 8.234 27.922 -9.121 1.00 25.00 O ATOM 0 H GLY A 144 7.814 29.497 -10.880 1.00 25.00 H new ATOM 0 HA2 GLY A 144 9.976 30.543 -9.355 1.00 25.00 H new ATOM 0 HA3 GLY A 144 8.465 30.933 -8.559 1.00 25.00 H new ATOM 2185 N TYR A 145 9.728 28.654 -7.679 1.00 25.00 N ATOM 2186 CA TYR A 145 9.863 27.366 -6.910 1.00 25.00 C ATOM 2187 C TYR A 145 8.817 27.264 -5.837 1.00 25.00 C ATOM 2188 O TYR A 145 8.474 28.242 -5.169 1.00 25.00 O ATOM 2189 CB TYR A 145 11.282 27.320 -6.285 1.00 25.00 C ATOM 2190 CG TYR A 145 11.362 26.830 -4.835 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.588 27.741 -3.780 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.236 25.462 -4.502 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.624 27.313 -2.425 1.00 25.00 C ATOM 2194 CE2 TYR A 145 11.270 25.055 -3.133 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.396 25.973 -2.139 1.00 25.00 C ATOM 2196 OH TYR A 145 11.194 25.437 -0.892 1.00 25.00 O ATOM 0 H TYR A 145 10.368 29.379 -7.354 1.00 25.00 H new ATOM 0 HA TYR A 145 9.720 26.523 -7.585 1.00 25.00 H new ATOM 0 HB2 TYR A 145 11.908 26.674 -6.901 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.711 28.321 -6.334 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.737 28.786 -4.008 1.00 50.00 H new ATOM 0 HD2 TYR A 145 11.114 24.725 -5.282 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.825 28.018 -1.632 1.00 25.00 H new ATOM 0 HE2 TYR A 145 11.195 24.006 -2.885 1.00 25.00 H new ATOM 0 HH TYR A 145 11.056 24.470 -0.970 1.00 25.00 H new ATOM 2206 N HIS A 146 8.299 26.062 -5.706 1.00 25.00 N ATOM 2207 CA HIS A 146 7.111 25.713 -4.855 1.00 25.00 C ATOM 2208 C HIS A 146 7.289 24.243 -4.521 1.00 25.00 C ATOM 2209 O HIS A 146 7.963 23.532 -5.248 1.00 25.00 O ATOM 2210 CB HIS A 146 5.816 25.918 -5.656 1.00 25.00 C ATOM 2211 CG HIS A 146 5.618 27.321 -6.159 1.00 25.00 C ATOM 2212 ND1 HIS A 146 5.659 27.835 -7.433 1.00 25.00 N flip ATOM 2213 CD2 HIS A 146 5.236 28.361 -5.345 1.00 25.00 C flip ATOM 2214 CE1 HIS A 146 5.218 29.113 -7.357 1.00 25.00 C flip ATOM 2215 NE2 HIS A 146 4.998 29.406 -6.111 1.00 25.00 N flip ATOM 0 H HIS A 146 8.684 25.252 -6.193 1.00 25.00 H new ATOM 0 HA HIS A 146 7.044 26.334 -3.961 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.816 25.236 -6.506 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.967 25.646 -5.029 1.00 25.00 H new ATOM 0 HD2 HIS A 146 5.147 28.327 -4.269 1.00 25.00 H new ATOM 0 HE1 HIS A 146 5.073 29.779 -8.195 1.00 25.00 H new ATOM 0 HE2 HIS A 146 4.685 30.316 -5.773 1.00 25.00 H new ATOM 2223 N VAL A 147 6.642 23.759 -3.473 1.00 25.00 N ATOM 2224 CA VAL A 147 6.583 22.346 -3.079 1.00 25.00 C ATOM 2225 C VAL A 147 5.126 21.817 -2.944 1.00 25.00 C ATOM 2226 O VAL A 147 4.380 22.571 -2.319 1.00 25.00 O ATOM 2227 CB VAL A 147 7.376 22.119 -1.792 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.506 20.610 -1.564 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.722 22.766 -1.889 1.00 50.00 C ATOM 0 H VAL A 147 6.117 24.362 -2.840 1.00 25.00 H new ATOM 0 HA VAL A 147 7.042 21.770 -3.882 1.00 25.00 H new ATOM 0 HB VAL A 147 6.857 22.570 -0.946 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.070 20.427 -0.649 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.513 20.169 -1.473 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.028 20.158 -2.408 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.275 22.596 -0.965 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.273 22.337 -2.726 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.600 23.838 -2.047 1.00 50.00 H new ATOM 2239 N ILE A 148 4.826 20.660 -3.471 1.00 25.00 N ATOM 2240 CA ILE A 148 3.486 20.077 -3.297 1.00 25.00 C ATOM 2241 C ILE A 148 3.656 18.843 -2.346 1.00 25.00 C ATOM 2242 O ILE A 148 4.528 18.002 -2.549 1.00 25.00 O ATOM 2243 CB ILE A 148 2.896 19.531 -4.650 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.701 20.657 -5.652 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.558 18.685 -4.483 1.00 25.00 C ATOM 2246 CD1 ILE A 148 1.895 20.332 -6.884 1.00 25.00 C ATOM 0 H ILE A 148 5.471 20.093 -4.022 1.00 25.00 H new ATOM 0 HA ILE A 148 2.816 20.845 -2.911 1.00 25.00 H new ATOM 0 HB ILE A 148 3.641 18.833 -5.033 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.219 21.490 -5.139 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.684 21.004 -5.970 1.00 25.00 H new ATOM 0 HG21 ILE A 148 1.217 18.346 -5.461 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.751 17.821 -3.846 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.788 19.308 -4.027 1.00 25.00 H new ATOM 0 HD11 ILE A 148 1.828 21.216 -7.519 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.381 19.526 -7.434 1.00 25.00 H new ATOM 0 HD13 ILE A 148 0.893 20.019 -6.591 1.00 25.00 H new ATOM 2258 N LEU A 149 2.801 18.825 -1.326 1.00 25.00 N ATOM 2259 CA LEU A 149 2.932 17.862 -0.222 1.00 25.00 C ATOM 2260 C LEU A 149 1.563 17.162 -0.198 1.00 25.00 C ATOM 2261 O LEU A 149 0.580 17.856 -0.428 1.00 25.00 O ATOM 2262 CB LEU A 149 3.226 18.616 1.093 1.00 25.00 C ATOM 2263 CG LEU A 149 4.467 19.497 1.169 1.00 25.00 C ATOM 2264 CD1 LEU A 149 4.150 20.936 0.905 1.00 50.00 C ATOM 2265 CD2 LEU A 149 5.183 19.376 2.527 1.00 50.00 C ATOM 0 H LEU A 149 2.010 19.463 -1.236 1.00 25.00 H new ATOM 0 HA LEU A 149 3.749 17.150 -0.343 1.00 25.00 H new ATOM 0 HB2 LEU A 149 2.362 19.242 1.315 1.00 25.00 H new ATOM 0 HB3 LEU A 149 3.297 17.876 1.890 1.00 25.00 H new ATOM 0 HG LEU A 149 5.135 19.134 0.388 1.00 25.00 H new ATOM 0 HD11 LEU A 149 5.063 21.527 0.969 1.00 50.00 H new ATOM 0 HD12 LEU A 149 3.722 21.037 -0.092 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.434 21.293 1.645 1.00 50.00 H new ATOM 0 HD21 LEU A 149 6.061 20.022 2.534 1.00 50.00 H new ATOM 0 HD22 LEU A 149 4.504 19.678 3.324 1.00 50.00 H new ATOM 0 HD23 LEU A 149 5.491 18.343 2.685 1.00 50.00 H new ATOM 2277 N ALA A 150 1.530 15.883 0.078 1.00 25.00 N ATOM 2278 CA ALA A 150 0.245 15.135 0.108 1.00 25.00 C ATOM 2279 C ALA A 150 0.348 14.230 1.349 1.00 25.00 C ATOM 2280 O ALA A 150 1.429 13.787 1.812 1.00 25.00 O ATOM 2281 CB ALA A 150 0.022 14.302 -1.189 1.00 25.00 C ATOM 0 H ALA A 150 2.355 15.320 0.287 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.611 15.808 0.159 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -0.928 13.773 -1.123 1.00 25.00 H new ATOM 0 HB2 ALA A 150 0.007 14.969 -2.051 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.832 13.581 -1.302 1.00 25.00 H new ATOM 2287 N VAL A 151 -0.812 13.921 1.873 1.00 25.00 N ATOM 2288 CA VAL A 151 -0.931 13.015 3.038 1.00 25.00 C ATOM 2289 C VAL A 151 -1.979 12.017 2.714 1.00 25.00 C ATOM 2290 O VAL A 151 -3.012 12.414 2.134 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.298 13.842 4.347 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.398 12.865 5.533 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.277 14.904 4.719 1.00 50.00 C ATOM 0 H VAL A 151 -1.703 14.274 1.525 1.00 25.00 H new ATOM 0 HA VAL A 151 0.013 12.509 3.239 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.237 14.352 4.131 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -1.649 13.417 6.439 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.174 12.126 5.331 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -0.442 12.359 5.670 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.602 15.421 5.622 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.689 14.433 4.899 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.184 15.621 3.903 1.00 50.00 H new ATOM 2303 N TRP A 152 -1.771 10.714 2.990 1.00 25.00 N ATOM 2304 CA TRP A 152 -2.719 9.644 2.595 1.00 25.00 C ATOM 2305 C TRP A 152 -3.010 8.712 3.810 1.00 25.00 C ATOM 2306 O TRP A 152 -2.077 8.099 4.342 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.143 8.884 1.444 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.114 8.408 0.440 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.116 7.558 0.639 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.211 8.791 -0.962 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -4.762 7.250 -0.479 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.269 8.000 -1.529 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.587 9.762 -1.770 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.757 8.234 -2.835 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -3.093 10.027 -3.085 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -4.194 9.239 -3.596 1.00 25.00 C ATOM 0 H TRP A 152 -0.949 10.372 3.489 1.00 25.00 H new ATOM 0 HA TRP A 152 -3.668 10.080 2.283 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -1.412 9.519 0.943 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -1.602 8.023 1.836 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -4.377 7.160 1.608 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.511 6.562 -0.552 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -1.730 10.305 -1.400 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.561 7.633 -3.233 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -2.656 10.808 -3.689 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -4.580 9.440 -4.585 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.268 8.574 4.111 1.00 25.00 N ATOM 2328 CA ASP A 153 -4.654 7.768 5.317 1.00 25.00 C ATOM 2329 C ASP A 153 -5.254 6.401 4.954 1.00 25.00 C ATOM 2330 O ASP A 153 -6.024 6.318 3.994 1.00 25.00 O ATOM 2331 CB ASP A 153 -5.684 8.575 6.118 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.067 9.726 6.779 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -4.418 9.506 7.818 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -5.061 10.864 6.264 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.044 8.976 3.586 1.00 25.00 H new ATOM 0 HA ASP A 153 -3.752 7.574 5.897 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.476 8.918 5.453 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.151 7.932 6.865 1.00 25.00 H new ATOM 2339 N VAL A 154 -4.937 5.385 5.778 1.00 25.00 N ATOM 2340 CA VAL A 154 -5.510 4.075 5.638 1.00 25.00 C ATOM 2341 C VAL A 154 -6.660 3.867 6.625 1.00 25.00 C ATOM 2342 O VAL A 154 -6.647 4.264 7.778 1.00 25.00 O ATOM 2343 CB VAL A 154 -4.471 2.972 5.903 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.018 1.528 5.634 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -3.276 3.225 5.007 1.00 50.00 C ATOM 0 H VAL A 154 -4.276 5.470 6.551 1.00 25.00 H new ATOM 0 HA VAL A 154 -5.872 4.009 4.612 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.205 3.014 6.959 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.235 0.798 5.840 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -5.873 1.336 6.282 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -5.327 1.444 4.592 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -2.524 2.454 5.177 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -3.592 3.200 3.964 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -2.851 4.203 5.234 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.735 3.311 6.131 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.932 3.132 6.975 1.00 25.00 C ATOM 2357 C ALA A 155 -8.871 1.863 7.756 1.00 25.00 C ATOM 2358 O ALA A 155 -9.444 1.776 8.847 1.00 25.00 O ATOM 2359 CB ALA A 155 -10.178 3.122 6.123 1.00 25.00 C ATOM 0 H ALA A 155 -7.827 2.974 5.173 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.962 3.969 7.672 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -11.053 2.989 6.759 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.260 4.067 5.587 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.122 2.302 5.407 1.00 25.00 H new ATOM 2365 N ASP A 156 -8.269 0.858 7.133 1.00 25.00 N ATOM 2366 CA ASP A 156 -8.326 -0.490 7.748 1.00 25.00 C ATOM 2367 C ASP A 156 -7.394 -0.554 9.006 1.00 25.00 C ATOM 2368 O ASP A 156 -7.463 -1.516 9.802 1.00 25.00 O ATOM 2369 CB ASP A 156 -7.880 -1.507 6.705 1.00 25.00 C ATOM 2370 CG ASP A 156 -8.978 -1.847 5.648 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -10.162 -1.737 5.979 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -8.629 -2.316 4.550 1.00 25.00 O1- ATOM 0 H ASP A 156 -7.759 0.925 6.252 1.00 25.00 H new ATOM 0 HA ASP A 156 -9.343 -0.710 8.074 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -6.999 -1.123 6.190 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -7.579 -2.424 7.211 1.00 25.00 H new ATOM 2377 N THR A 157 -6.470 0.411 9.097 1.00 25.00 N ATOM 2378 CA THR A 157 -5.380 0.391 10.156 1.00 25.00 C ATOM 2379 C THR A 157 -5.065 1.815 10.575 1.00 25.00 C ATOM 2380 O THR A 157 -5.596 2.747 9.969 1.00 25.00 O ATOM 2381 CB THR A 157 -3.986 -0.263 9.685 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.474 0.555 8.618 1.00 25.00 O ATOM 2383 CG2 THR A 157 -4.142 -1.713 9.136 1.00 25.00 C ATOM 0 H THR A 157 -6.431 1.217 8.473 1.00 25.00 H new ATOM 0 HA THR A 157 -5.782 -0.225 10.961 1.00 25.00 H new ATOM 0 HB THR A 157 -3.327 -0.311 10.552 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.945 0.001 8.006 1.00 25.00 H new ATOM 0 HG21 THR A 157 -3.166 -2.095 8.836 1.00 25.00 H new ATOM 0 HG22 THR A 157 -4.560 -2.353 9.913 1.00 25.00 H new ATOM 0 HG23 THR A 157 -4.809 -1.706 8.274 1.00 25.00 H new ATOM 2391 N GLU A 158 -4.131 2.028 11.522 1.00 25.00 N ATOM 2392 CA GLU A 158 -3.684 3.358 11.950 1.00 25.00 C ATOM 2393 C GLU A 158 -2.501 3.906 11.041 1.00 25.00 C ATOM 2394 O GLU A 158 -1.834 4.897 11.346 1.00 25.00 O ATOM 2395 CB GLU A 158 -3.290 3.305 13.416 1.00 25.00 C ATOM 2396 CG GLU A 158 -3.665 4.531 14.169 1.00 25.00 C ATOM 2397 CD GLU A 158 -3.218 4.433 15.590 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -2.776 5.553 15.978 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -3.364 3.388 16.311 1.00 25.00 O1- ATOM 0 H GLU A 158 -3.663 1.268 12.015 1.00 25.00 H new ATOM 0 HA GLU A 158 -4.508 4.061 11.830 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -3.764 2.441 13.882 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -2.213 3.156 13.491 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -3.213 5.405 13.700 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -4.745 4.671 14.131 1.00 25.00 H new ATOM 2406 N ASN A 159 -2.233 3.241 9.968 1.00 25.00 N ATOM 2407 CA ASN A 159 -1.165 3.666 9.060 1.00 25.00 C ATOM 2408 C ASN A 159 -1.604 4.915 8.264 1.00 25.00 C ATOM 2409 O ASN A 159 -2.827 5.171 7.982 1.00 25.00 O ATOM 2410 CB ASN A 159 -0.795 2.537 8.097 1.00 25.00 C ATOM 2411 CG ASN A 159 -0.171 1.332 8.797 1.00 25.00 C ATOM 2412 OD1 ASN A 159 0.427 1.462 9.874 1.00 25.00 O ATOM 2413 ND2 ASN A 159 -0.314 0.149 8.243 1.00 25.00 N ATOM 0 H ASN A 159 -2.727 2.397 9.678 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.288 3.916 9.657 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -1.689 2.216 7.562 1.00 25.00 H new ATOM 0 HB3 ASN A 159 -0.097 2.918 7.351 1.00 25.00 H new ATOM 0 HD21 ASN A 159 0.070 -0.678 8.700 1.00 25.00 H new ATOM 0 HD22 ASN A 159 -0.809 0.058 7.356 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.609 5.713 7.910 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.779 6.921 7.102 1.00 25.00 C ATOM 2422 C ALA A 160 0.564 7.045 6.381 1.00 25.00 C ATOM 2423 O ALA A 160 1.560 6.572 6.904 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.096 8.191 8.038 1.00 25.00 C ATOM 0 H ALA A 160 0.360 5.540 8.179 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.617 6.874 6.406 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.219 9.079 7.417 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.013 8.010 8.598 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.271 8.346 8.733 1.00 25.00 H new ATOM 2430 N PHE A 161 0.650 7.761 5.309 1.00 25.00 N ATOM 2431 CA PHE A 161 1.972 8.062 4.706 1.00 25.00 C ATOM 2432 C PHE A 161 1.861 9.472 4.129 1.00 25.00 C ATOM 2433 O PHE A 161 0.783 10.079 4.219 1.00 25.00 O ATOM 2434 CB PHE A 161 2.404 7.083 3.643 1.00 25.00 C ATOM 2435 CG PHE A 161 3.908 6.903 3.495 1.00 25.00 C ATOM 2436 CD1 PHE A 161 4.592 7.262 2.368 1.00 50.00 C ATOM 2437 CD2 PHE A 161 4.662 6.476 4.569 1.00 50.00 C ATOM 2438 CE1 PHE A 161 5.952 7.078 2.202 1.00 25.00 C ATOM 2439 CE2 PHE A 161 6.071 6.316 4.489 1.00 25.00 C ATOM 2440 CZ PHE A 161 6.752 6.595 3.339 1.00 25.00 C ATOM 0 H PHE A 161 -0.148 8.158 4.814 1.00 25.00 H new ATOM 0 HA PHE A 161 2.741 7.981 5.474 1.00 25.00 H new ATOM 0 HB2 PHE A 161 1.959 6.113 3.864 1.00 25.00 H new ATOM 0 HB3 PHE A 161 1.998 7.409 2.686 1.00 25.00 H new ATOM 0 HD1 PHE A 161 4.038 7.716 1.560 1.00 50.00 H new ATOM 0 HD2 PHE A 161 4.164 6.256 5.502 1.00 50.00 H new ATOM 0 HE1 PHE A 161 6.421 7.286 1.251 1.00 25.00 H new ATOM 0 HE2 PHE A 161 6.614 5.967 5.355 1.00 25.00 H new ATOM 0 HZ PHE A 161 7.822 6.468 3.267 1.00 25.00 H new ATOM 2450 N TYR A 162 2.970 10.008 3.646 1.00 25.00 N ATOM 2451 CA TYR A 162 3.100 11.402 3.247 1.00 25.00 C ATOM 2452 C TYR A 162 3.896 11.382 1.915 1.00 25.00 C ATOM 2453 O TYR A 162 4.749 10.512 1.796 1.00 25.00 O ATOM 2454 CB TYR A 162 3.840 12.184 4.337 1.00 25.00 C ATOM 2455 CG TYR A 162 5.008 11.472 4.956 1.00 25.00 C ATOM 2456 CD1 TYR A 162 6.347 11.683 4.527 1.00 50.00 C ATOM 2457 CD2 TYR A 162 4.823 10.634 6.064 1.00 50.00 C ATOM 2458 CE1 TYR A 162 7.488 10.977 5.190 1.00 25.00 C ATOM 2459 CE2 TYR A 162 5.908 9.975 6.711 1.00 25.00 C ATOM 2460 CZ TYR A 162 7.238 10.172 6.303 1.00 25.00 C ATOM 2461 OH TYR A 162 8.245 9.478 6.898 1.00 25.00 O ATOM 0 H TYR A 162 3.828 9.472 3.517 1.00 25.00 H new ATOM 0 HA TYR A 162 2.135 11.891 3.112 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.192 13.124 3.911 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.131 12.437 5.125 1.00 25.00 H new ATOM 0 HD1 TYR A 162 6.544 12.363 3.711 1.00 50.00 H new ATOM 0 HD2 TYR A 162 3.822 10.482 6.441 1.00 50.00 H new ATOM 0 HE1 TYR A 162 8.493 11.089 4.812 1.00 25.00 H new ATOM 0 HE2 TYR A 162 5.703 9.308 7.535 1.00 25.00 H new ATOM 0 HH TYR A 162 7.889 8.972 7.658 1.00 25.00 H new ATOM 2471 N GLN A 163 3.705 12.294 0.990 1.00 25.00 N ATOM 2472 CA GLN A 163 4.290 12.287 -0.333 1.00 25.00 C ATOM 2473 C GLN A 163 4.746 13.701 -0.658 1.00 25.00 C ATOM 2474 O GLN A 163 4.105 14.672 -0.199 1.00 25.00 O ATOM 2475 CB GLN A 163 3.249 11.767 -1.359 1.00 25.00 C ATOM 2476 CG GLN A 163 1.986 11.039 -0.796 1.00 25.00 C ATOM 2477 CD GLN A 163 2.337 9.615 -0.355 1.00 25.00 C ATOM 2478 OE1 GLN A 163 3.385 9.072 -0.681 1.00 25.00 O ATOM 2479 NE2 GLN A 163 1.464 9.000 0.464 1.00 25.00 N ATOM 0 H GLN A 163 3.106 13.104 1.148 1.00 25.00 H new ATOM 0 HA GLN A 163 5.152 11.621 -0.377 1.00 25.00 H new ATOM 0 HB2 GLN A 163 2.911 12.615 -1.955 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.758 11.082 -2.038 1.00 25.00 H new ATOM 0 HG2 GLN A 163 1.583 11.598 0.049 1.00 25.00 H new ATOM 0 HG3 GLN A 163 1.207 11.008 -1.558 1.00 25.00 H new ATOM 0 HE21 GLN A 163 0.595 9.466 0.726 1.00 25.00 H new ATOM 0 HE22 GLN A 163 1.671 8.068 0.823 1.00 25.00 H new ATOM 2488 N VAL A 164 5.829 13.879 -1.373 1.00 25.00 N ATOM 2489 CA VAL A 164 6.333 15.269 -1.688 1.00 25.00 C ATOM 2490 C VAL A 164 6.899 15.369 -3.140 1.00 25.00 C ATOM 2491 O VAL A 164 7.561 14.415 -3.578 1.00 25.00 O ATOM 2492 CB VAL A 164 7.403 15.621 -0.630 1.00 25.00 C ATOM 2493 CG1 VAL A 164 8.441 14.479 -0.308 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.033 16.939 -0.882 1.00 75.00 C ATOM 0 H VAL A 164 6.395 13.122 -1.758 1.00 25.00 H new ATOM 0 HA VAL A 164 5.511 15.984 -1.646 1.00 25.00 H new ATOM 0 HB VAL A 164 6.843 15.711 0.301 1.00 25.00 H new ATOM 0 HG11 VAL A 164 9.146 14.830 0.446 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.913 13.603 0.069 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.983 14.213 -1.216 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.777 17.140 -0.111 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.516 16.931 -1.859 1.00 75.00 H new ATOM 0 HG23 VAL A 164 7.270 17.717 -0.861 1.00 75.00 H new ATOM 2504 N ILE A 165 6.733 16.502 -3.811 1.00 25.00 N ATOM 2505 CA ILE A 165 7.334 16.722 -5.097 1.00 25.00 C ATOM 2506 C ILE A 165 7.739 18.176 -5.057 1.00 25.00 C ATOM 2507 O ILE A 165 7.005 19.061 -4.633 1.00 25.00 O ATOM 2508 CB ILE A 165 6.315 16.573 -6.275 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.524 15.229 -6.223 1.00 25.00 C ATOM 2510 CG2 ILE A 165 7.087 16.499 -7.635 1.00 25.00 C ATOM 2511 CD1 ILE A 165 4.457 14.950 -7.326 1.00 25.00 C ATOM 0 H ILE A 165 6.177 17.286 -3.470 1.00 25.00 H new ATOM 0 HA ILE A 165 8.138 16.005 -5.266 1.00 25.00 H new ATOM 0 HB ILE A 165 5.645 17.428 -6.188 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.250 14.416 -6.251 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.023 15.176 -5.256 1.00 25.00 H new ATOM 0 HG21 ILE A 165 6.374 16.395 -8.453 1.00 25.00 H new ATOM 0 HG22 ILE A 165 7.668 17.411 -7.774 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.757 15.639 -7.627 1.00 25.00 H new ATOM 0 HD11 ILE A 165 3.997 13.978 -7.150 1.00 25.00 H new ATOM 0 HD12 ILE A 165 3.691 15.725 -7.295 1.00 25.00 H new ATOM 0 HD13 ILE A 165 4.936 14.952 -8.305 1.00 25.00 H new ATOM 2523 N ASP A 166 8.951 18.425 -5.499 1.00 25.00 N ATOM 2524 CA ASP A 166 9.380 19.804 -5.721 1.00 25.00 C ATOM 2525 C ASP A 166 8.993 20.267 -7.095 1.00 25.00 C ATOM 2526 O ASP A 166 9.096 19.516 -8.074 1.00 25.00 O ATOM 2527 CB ASP A 166 10.902 19.810 -5.513 1.00 25.00 C ATOM 2528 CG ASP A 166 11.497 21.179 -5.608 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.773 21.807 -4.554 1.00 25.00 O ATOM 2530 OD2 ASP A 166 11.702 21.666 -6.716 1.00 25.00 O1- ATOM 0 H ASP A 166 9.651 17.714 -5.711 1.00 25.00 H new ATOM 0 HA ASP A 166 8.898 20.497 -5.031 1.00 25.00 H new ATOM 0 HB2 ASP A 166 11.132 19.387 -4.535 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.368 19.164 -6.257 1.00 25.00 H new ATOM 2535 N VAL A 167 8.448 21.477 -7.251 1.00 25.00 N ATOM 2536 CA VAL A 167 7.961 21.888 -8.605 1.00 25.00 C ATOM 2537 C VAL A 167 8.403 23.293 -8.958 1.00 25.00 C ATOM 2538 O VAL A 167 8.318 24.217 -8.192 1.00 25.00 O ATOM 2539 CB VAL A 167 6.371 21.688 -8.651 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.975 20.215 -8.540 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.641 22.469 -7.574 1.00 50.00 C ATOM 0 H VAL A 167 8.329 22.169 -6.511 1.00 25.00 H new ATOM 0 HA VAL A 167 8.408 21.257 -9.373 1.00 25.00 H new ATOM 0 HB VAL A 167 6.069 22.076 -9.624 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.889 20.126 -8.576 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.412 19.657 -9.368 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.341 19.810 -7.597 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.569 22.291 -7.659 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.986 22.144 -6.592 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.843 23.533 -7.696 1.00 50.00 H new ATOM 2551 N ASP A 168 8.897 23.382 -10.158 1.00 25.00 N ATOM 2552 CA ASP A 168 9.433 24.560 -10.736 1.00 25.00 C ATOM 2553 C ASP A 168 8.354 24.956 -11.725 1.00 25.00 C ATOM 2554 O ASP A 168 8.201 24.392 -12.777 1.00 25.00 O ATOM 2555 CB ASP A 168 10.731 24.250 -11.421 1.00 25.00 C ATOM 2556 CG ASP A 168 11.350 25.460 -12.111 1.00 25.00 C ATOM 2557 OD1 ASP A 168 12.208 25.307 -13.066 1.00 25.00 O ATOM 2558 OD2 ASP A 168 11.049 26.583 -11.680 1.00 25.00 O1- ATOM 0 H ASP A 168 8.934 22.582 -10.789 1.00 25.00 H new ATOM 0 HA ASP A 168 9.662 25.351 -10.022 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.436 23.857 -10.688 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.567 23.464 -12.158 1.00 25.00 H new ATOM 2563 N LEU A 169 7.452 25.746 -11.222 1.00 25.00 N ATOM 2564 CA LEU A 169 6.250 26.058 -11.945 1.00 25.00 C ATOM 2565 C LEU A 169 6.504 27.362 -12.690 1.00 25.00 C ATOM 2566 O LEU A 169 6.868 28.379 -12.086 1.00 25.00 O ATOM 2567 CB LEU A 169 5.135 26.209 -10.898 1.00 25.00 C ATOM 2568 CG LEU A 169 4.765 24.984 -10.087 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.623 25.296 -9.142 1.00 50.00 C ATOM 2570 CD2 LEU A 169 4.249 23.842 -11.050 1.00 50.00 C ATOM 0 H LEU A 169 7.525 26.190 -10.307 1.00 25.00 H new ATOM 0 HA LEU A 169 5.962 25.293 -12.666 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.430 26.995 -10.203 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.238 26.557 -11.410 1.00 25.00 H new ATOM 0 HG LEU A 169 5.652 24.674 -9.535 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.372 24.404 -8.568 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.922 26.093 -8.461 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.753 25.616 -9.716 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.984 22.963 -10.463 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.372 24.193 -11.594 1.00 50.00 H new ATOM 0 HD23 LEU A 169 5.035 23.581 -11.759 1.00 50.00 H new ATOM 2582 N VAL A 170 6.412 27.263 -14.006 1.00 25.00 N ATOM 2583 CA VAL A 170 6.847 28.389 -14.880 1.00 25.00 C ATOM 2584 C VAL A 170 5.759 28.942 -15.762 1.00 25.00 C ATOM 2585 O VAL A 170 4.750 28.329 -16.065 1.00 25.00 O ATOM 2586 CB VAL A 170 8.152 27.929 -15.584 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.167 27.355 -14.647 1.00 50.00 C ATOM 2588 CG2 VAL A 170 7.913 26.957 -16.708 1.00 50.00 C ATOM 0 H VAL A 170 6.053 26.447 -14.501 1.00 25.00 H new ATOM 0 HA VAL A 170 7.073 29.278 -14.292 1.00 25.00 H new ATOM 0 HB VAL A 170 8.555 28.851 -16.003 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.052 27.055 -15.208 1.00 50.00 H new ATOM 0 HG12 VAL A 170 9.444 28.105 -13.906 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.746 26.486 -14.142 1.00 50.00 H new ATOM 0 HG21 VAL A 170 8.866 26.677 -17.156 1.00 50.00 H new ATOM 0 HG22 VAL A 170 7.419 26.066 -16.320 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.280 27.423 -17.463 1.00 50.00 H new ATOM 2598 N ASN A 171 6.021 30.194 -16.151 1.00 25.00 N ATOM 2599 CA ASN A 171 5.206 30.895 -17.146 1.00 25.00 C ATOM 2600 C ASN A 171 5.671 30.183 -18.439 1.00 25.00 C ATOM 2601 O ASN A 171 6.837 29.813 -18.444 1.00 25.00 O ATOM 2602 CB ASN A 171 5.596 32.370 -17.166 1.00 25.00 C ATOM 2603 CG ASN A 171 4.611 33.181 -17.988 1.00 25.00 C ATOM 2604 OD1 ASN A 171 3.846 32.659 -18.755 1.00 25.00 O ATOM 2605 ND2 ASN A 171 4.573 34.413 -17.754 1.00 25.00 N ATOM 0 H ASN A 171 6.798 30.746 -15.788 1.00 25.00 H new ATOM 0 HA ASN A 171 4.129 30.868 -16.982 1.00 25.00 H new ATOM 0 HB2 ASN A 171 5.629 32.755 -16.147 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.598 32.479 -17.580 1.00 25.00 H new ATOM 0 HD21 ASN A 171 3.880 34.999 -18.219 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.235 34.828 -17.098 1.00 25.00 H new ATOM 2612 N LYS A 172 4.807 29.933 -19.441 1.00 25.00 N ATOM 2613 CA LYS A 172 5.085 29.188 -20.677 1.00 25.00 C ATOM 2614 C LYS A 172 5.913 30.095 -21.623 1.00 25.00 C ATOM 2615 O LYS A 172 6.751 29.642 -22.414 1.00 25.00 O ATOM 2616 CB LYS A 172 3.787 28.685 -21.391 1.00 25.00 C ATOM 2617 CG LYS A 172 2.955 29.760 -21.997 1.00 25.00 C ATOM 2618 CD LYS A 172 1.658 29.210 -22.477 1.00 25.00 C ATOM 2619 CE LYS A 172 0.876 30.226 -23.223 1.00 25.00 C ATOM 2620 NZ LYS A 172 0.348 31.365 -22.346 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 5.705 31.308 -21.510 1.00 25.00 O1- ATOM 0 H LYS A 172 3.843 30.265 -19.405 1.00 25.00 H new ATOM 0 HA LYS A 172 5.648 28.292 -20.415 1.00 25.00 H new ATOM 0 HB2 LYS A 172 4.069 27.978 -22.172 1.00 25.00 H new ATOM 0 HB3 LYS A 172 3.180 28.138 -20.669 1.00 25.00 H new ATOM 0 HG2 LYS A 172 2.774 30.545 -21.263 1.00 25.00 H new ATOM 0 HG3 LYS A 172 3.492 30.218 -22.828 1.00 25.00 H new ATOM 0 HD2 LYS A 172 1.843 28.349 -23.119 1.00 25.00 H new ATOM 0 HD3 LYS A 172 1.076 28.854 -21.627 1.00 25.00 H new ATOM 0 HE2 LYS A 172 1.502 30.646 -24.011 1.00 25.00 H new ATOM 0 HE3 LYS A 172 0.034 29.736 -23.712 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -0.583 31.669 -22.695 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 0.258 31.034 -21.364 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 1.010 32.166 -22.382 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 0.043 0.344 0.706 1.00 0.00 CU