USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 CYS SG : rot 91:sc= 0.684 USER MOD Set 1.2: A 11 MET CE :methyl -164:sc= -0.879 (180deg=-1.69) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.41) USER MOD Single : A 5 THR OG1 : rot -126:sc= 1.23 USER MOD Single : A 12 ASN : amide:sc= 0.636 K(o=0.64,f=-0.038) USER MOD Single : A 13 MET CE :methyl -146:sc= -2.97 (180deg=-6.93!) USER MOD Single : A 25 TYR OH : rot -164:sc= 0.169 USER MOD Single : A 36 CYS SG : rot -45:sc= -0.385 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= -0.0497 (180deg=-0.405) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= 1.07 (180deg=0.566) USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.243 USER MOD Single : A 68 SER OG : rot -80:sc= 0.211 USER MOD Single : A 72 CYS SG : rot 156:sc= -0.486 USER MOD Single : A 73 GLN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 160:sc= -0.1 (180deg=-0.514) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -2:sc= -0.111 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 91 THR OG1 : rot 171:sc= 1.01 USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0013 USER MOD Single : A 94 CYS SG : rot -159:sc= -0.947 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00515 USER MOD Single : A 99 TYR OH : rot -137:sc= 0.0141 USER MOD Single : A 100 HIS : no HE2:sc= -0.033 K(o=-0.033,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.439 13.038 5.377 1.00 0.00 N ATOM 2 CA GLY A 1 14.377 11.889 4.464 1.00 0.00 C ATOM 3 C GLY A 1 14.988 12.281 3.141 1.00 0.00 C ATOM 4 O GLY A 1 16.186 12.562 3.096 1.00 0.00 O ATOM 0 H1 GLY A 1 14.020 12.777 6.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.431 13.317 5.517 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.910 13.835 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.912 11.040 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.343 11.575 4.323 1.00 0.00 H new ATOM 8 N GLY A 2 14.171 12.357 2.094 1.00 0.00 N ATOM 9 CA GLY A 2 14.402 13.247 0.974 1.00 0.00 C ATOM 10 C GLY A 2 13.584 14.500 1.262 1.00 0.00 C ATOM 11 O GLY A 2 13.990 15.337 2.068 1.00 0.00 O ATOM 0 H GLY A 2 13.324 11.795 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.461 13.486 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.092 12.785 0.037 1.00 0.00 H new ATOM 15 N HIS A 3 12.386 14.586 0.691 1.00 0.00 N ATOM 16 CA HIS A 3 11.509 15.755 0.716 1.00 0.00 C ATOM 17 C HIS A 3 10.043 15.308 0.797 1.00 0.00 C ATOM 18 O HIS A 3 9.762 14.118 0.624 1.00 0.00 O ATOM 19 CB HIS A 3 11.810 16.619 -0.525 1.00 0.00 C ATOM 20 CG HIS A 3 12.034 15.908 -1.839 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.149 15.177 -2.177 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.246 15.992 -2.955 1.00 0.00 C ATOM 23 CE1 HIS A 3 13.015 14.791 -3.452 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.880 15.283 -3.980 1.00 0.00 N ATOM 0 H HIS A 3 11.980 13.806 0.174 1.00 0.00 H new ATOM 0 HA HIS A 3 11.693 16.365 1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.982 17.315 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.697 17.215 -0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.303 16.513 -3.030 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.721 14.170 -3.983 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.548 15.163 -4.937 1.00 0.00 H new ATOM 32 N PRO A 4 9.103 16.214 1.126 1.00 0.00 N ATOM 33 CA PRO A 4 7.678 15.967 0.953 1.00 0.00 C ATOM 34 C PRO A 4 7.376 15.871 -0.538 1.00 0.00 C ATOM 35 O PRO A 4 7.851 16.703 -1.314 1.00 0.00 O ATOM 36 CB PRO A 4 6.938 17.157 1.574 1.00 0.00 C ATOM 37 CG PRO A 4 7.996 18.264 1.644 1.00 0.00 C ATOM 38 CD PRO A 4 9.345 17.561 1.612 1.00 0.00 C ATOM 0 HA PRO A 4 7.365 15.038 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.086 17.458 0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.551 16.913 2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.895 18.953 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.885 18.852 2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.041 18.089 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.794 17.539 2.605 1.00 0.00 H new ATOM 46 N THR A 5 6.560 14.887 -0.910 1.00 0.00 N ATOM 47 CA THR A 5 6.143 14.620 -2.280 1.00 0.00 C ATOM 48 C THR A 5 4.661 14.217 -2.245 1.00 0.00 C ATOM 49 O THR A 5 4.112 13.996 -1.162 1.00 0.00 O ATOM 50 CB THR A 5 7.059 13.538 -2.894 1.00 0.00 C ATOM 51 OG1 THR A 5 6.849 12.301 -2.244 1.00 0.00 O ATOM 52 CG2 THR A 5 8.549 13.880 -2.771 1.00 0.00 C ATOM 0 H THR A 5 6.158 14.232 -0.240 1.00 0.00 H new ATOM 0 HA THR A 5 6.239 15.499 -2.918 1.00 0.00 H new ATOM 0 HB THR A 5 6.800 13.484 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.706 11.949 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.143 13.084 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.751 14.818 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.813 13.981 -1.718 1.00 0.00 H new ATOM 60 N GLU A 6 3.997 14.091 -3.394 1.00 0.00 N ATOM 61 CA GLU A 6 2.594 13.672 -3.477 1.00 0.00 C ATOM 62 C GLU A 6 2.386 12.189 -3.123 1.00 0.00 C ATOM 63 O GLU A 6 1.244 11.742 -3.078 1.00 0.00 O ATOM 64 CB GLU A 6 2.007 14.037 -4.850 1.00 0.00 C ATOM 65 CG GLU A 6 2.722 13.381 -6.039 1.00 0.00 C ATOM 66 CD GLU A 6 2.213 13.917 -7.374 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.541 15.086 -7.682 1.00 0.00 O ATOM 68 OE2 GLU A 6 1.565 13.212 -8.170 1.00 0.00 O ATOM 0 H GLU A 6 4.420 14.278 -4.303 1.00 0.00 H new ATOM 0 HA GLU A 6 2.043 14.225 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.956 13.750 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.044 15.120 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.795 13.559 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.575 12.302 -6.001 1.00 0.00 H new ATOM 75 N VAL A 7 3.462 11.446 -2.840 1.00 0.00 N ATOM 76 CA VAL A 7 3.463 9.994 -2.744 1.00 0.00 C ATOM 77 C VAL A 7 3.594 9.609 -1.279 1.00 0.00 C ATOM 78 O VAL A 7 4.696 9.559 -0.726 1.00 0.00 O ATOM 79 CB VAL A 7 4.599 9.412 -3.605 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.443 7.892 -3.719 1.00 0.00 C ATOM 81 CG2 VAL A 7 4.617 10.084 -4.981 1.00 0.00 C ATOM 0 H VAL A 7 4.380 11.857 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 7 2.531 9.579 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 7 5.557 9.615 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.251 7.488 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.482 7.447 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.485 7.658 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.425 9.664 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.665 9.911 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.774 11.156 -4.860 1.00 0.00 H new ATOM 91 N LEU A 8 2.469 9.413 -0.609 1.00 0.00 N ATOM 92 CA LEU A 8 2.447 9.023 0.789 1.00 0.00 C ATOM 93 C LEU A 8 2.812 7.540 0.869 1.00 0.00 C ATOM 94 O LEU A 8 2.158 6.721 0.222 1.00 0.00 O ATOM 95 CB LEU A 8 1.034 9.254 1.342 1.00 0.00 C ATOM 96 CG LEU A 8 0.989 10.023 2.661 1.00 0.00 C ATOM 97 CD1 LEU A 8 -0.478 10.088 3.086 1.00 0.00 C ATOM 98 CD2 LEU A 8 1.840 9.347 3.738 1.00 0.00 C ATOM 0 H LEU A 8 1.543 9.521 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 8 3.156 9.608 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.451 9.798 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.550 8.288 1.482 1.00 0.00 H new ATOM 0 HG LEU A 8 1.403 11.023 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.560 10.631 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.057 10.603 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.865 9.077 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.783 9.923 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.468 8.338 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.877 9.298 3.405 1.00 0.00 H new ATOM 110 N CYS A 9 3.816 7.162 1.661 1.00 0.00 N ATOM 111 CA CYS A 9 4.074 5.762 1.973 1.00 0.00 C ATOM 112 C CYS A 9 3.308 5.441 3.248 1.00 0.00 C ATOM 113 O CYS A 9 3.523 6.102 4.271 1.00 0.00 O ATOM 114 CB CYS A 9 5.575 5.530 2.176 1.00 0.00 C ATOM 115 SG CYS A 9 5.920 3.771 2.475 1.00 0.00 S ATOM 0 H CYS A 9 4.466 7.814 2.099 1.00 0.00 H new ATOM 0 HA CYS A 9 3.751 5.116 1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.122 5.868 1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.929 6.123 3.019 1.00 0.00 H new ATOM 0 HG CYS A 9 6.147 3.175 1.342 1.00 0.00 H new ATOM 121 N LEU A 10 2.442 4.428 3.219 1.00 0.00 N ATOM 122 CA LEU A 10 1.728 3.955 4.388 1.00 0.00 C ATOM 123 C LEU A 10 2.000 2.469 4.586 1.00 0.00 C ATOM 124 O LEU A 10 1.601 1.615 3.791 1.00 0.00 O ATOM 125 CB LEU A 10 0.239 4.295 4.379 1.00 0.00 C ATOM 126 CG LEU A 10 -0.278 5.244 3.286 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.628 4.461 2.012 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.485 5.967 3.857 1.00 0.00 C ATOM 0 H LEU A 10 2.219 3.911 2.368 1.00 0.00 H new ATOM 0 HA LEU A 10 2.113 4.495 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.316 3.360 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.009 4.733 5.346 1.00 0.00 H new ATOM 0 HG LEU A 10 0.485 5.968 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.992 5.150 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.261 3.949 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.402 3.727 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.885 6.654 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.250 5.240 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.188 6.528 4.743 1.00 0.00 H new ATOM 140 N MET A 11 2.729 2.155 5.649 1.00 0.00 N ATOM 141 CA MET A 11 3.098 0.792 6.002 1.00 0.00 C ATOM 142 C MET A 11 1.971 0.142 6.799 1.00 0.00 C ATOM 143 O MET A 11 1.091 0.826 7.331 1.00 0.00 O ATOM 144 CB MET A 11 4.405 0.810 6.809 1.00 0.00 C ATOM 145 CG MET A 11 5.604 1.237 5.944 1.00 0.00 C ATOM 146 SD MET A 11 6.557 2.643 6.580 1.00 0.00 S ATOM 147 CE MET A 11 5.298 3.939 6.508 1.00 0.00 C ATOM 0 H MET A 11 3.086 2.853 6.301 1.00 0.00 H new ATOM 0 HA MET A 11 3.257 0.205 5.097 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.303 1.494 7.652 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.590 -0.181 7.223 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.274 0.384 5.835 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.241 1.486 4.947 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.776 4.915 6.589 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.763 3.874 5.561 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.595 3.810 7.331 1.00 0.00 H new ATOM 157 N ASN A 12 2.050 -1.184 6.947 1.00 0.00 N ATOM 158 CA ASN A 12 1.204 -2.023 7.803 1.00 0.00 C ATOM 159 C ASN A 12 -0.234 -2.139 7.294 1.00 0.00 C ATOM 160 O ASN A 12 -1.129 -2.551 8.043 1.00 0.00 O ATOM 161 CB ASN A 12 1.202 -1.544 9.266 1.00 0.00 C ATOM 162 CG ASN A 12 2.566 -1.327 9.905 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.568 -1.956 9.570 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.625 -0.418 10.860 1.00 0.00 N ATOM 0 H ASN A 12 2.747 -1.733 6.443 1.00 0.00 H new ATOM 0 HA ASN A 12 1.652 -3.016 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.646 -0.608 9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.656 -2.273 9.864 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.510 -0.230 11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.786 0.096 11.127 1.00 0.00 H new ATOM 171 N MET A 13 -0.485 -1.754 6.039 1.00 0.00 N ATOM 172 CA MET A 13 -1.804 -1.868 5.439 1.00 0.00 C ATOM 173 C MET A 13 -2.207 -3.343 5.415 1.00 0.00 C ATOM 174 O MET A 13 -3.194 -3.706 6.052 1.00 0.00 O ATOM 175 CB MET A 13 -1.817 -1.236 4.036 1.00 0.00 C ATOM 176 CG MET A 13 -2.987 -0.276 3.810 1.00 0.00 C ATOM 177 SD MET A 13 -2.492 1.465 3.758 1.00 0.00 S ATOM 178 CE MET A 13 -1.725 1.551 5.387 1.00 0.00 C ATOM 0 H MET A 13 0.221 -1.357 5.419 1.00 0.00 H new ATOM 0 HA MET A 13 -2.536 -1.320 6.032 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.881 -0.699 3.879 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.858 -2.029 3.289 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.482 -0.533 2.874 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.719 -0.414 4.606 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.890 2.540 5.815 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.167 0.796 6.037 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.654 1.369 5.295 1.00 0.00 H new ATOM 188 N VAL A 14 -1.406 -4.183 4.757 1.00 0.00 N ATOM 189 CA VAL A 14 -1.797 -5.517 4.303 1.00 0.00 C ATOM 190 C VAL A 14 -0.853 -6.595 4.836 1.00 0.00 C ATOM 191 O VAL A 14 0.275 -6.298 5.254 1.00 0.00 O ATOM 192 CB VAL A 14 -1.859 -5.549 2.757 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.013 -4.689 2.230 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.513 -5.136 2.129 1.00 0.00 C ATOM 0 H VAL A 14 -0.442 -3.947 4.519 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.788 -5.736 4.702 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.053 -6.579 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.031 -4.732 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.957 -5.066 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.873 -3.657 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.593 -5.170 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.261 -4.123 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.267 -5.823 2.457 1.00 0.00 H new ATOM 204 N LEU A 15 -1.304 -7.845 4.774 1.00 0.00 N ATOM 205 CA LEU A 15 -0.546 -9.067 5.025 1.00 0.00 C ATOM 206 C LEU A 15 -0.202 -9.736 3.687 1.00 0.00 C ATOM 207 O LEU A 15 -0.857 -9.464 2.681 1.00 0.00 O ATOM 208 CB LEU A 15 -1.402 -10.041 5.855 1.00 0.00 C ATOM 209 CG LEU A 15 -1.967 -9.500 7.174 1.00 0.00 C ATOM 210 CD1 LEU A 15 -2.831 -10.591 7.813 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.851 -9.045 8.125 1.00 0.00 C ATOM 0 H LEU A 15 -2.274 -8.044 4.531 1.00 0.00 H new ATOM 0 HA LEU A 15 0.367 -8.819 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.236 -10.374 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.799 -10.921 6.077 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.576 -8.619 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.242 -10.225 8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.646 -10.852 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.221 -11.474 8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.291 -8.668 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.199 -9.889 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.269 -8.254 7.651 1.00 0.00 H new ATOM 223 N PRO A 16 0.756 -10.677 3.647 1.00 0.00 N ATOM 224 CA PRO A 16 1.036 -11.476 2.453 1.00 0.00 C ATOM 225 C PRO A 16 -0.016 -12.569 2.193 1.00 0.00 C ATOM 226 O PRO A 16 0.184 -13.389 1.302 1.00 0.00 O ATOM 227 CB PRO A 16 2.422 -12.084 2.704 1.00 0.00 C ATOM 228 CG PRO A 16 2.472 -12.223 4.225 1.00 0.00 C ATOM 229 CD PRO A 16 1.712 -10.989 4.701 1.00 0.00 C ATOM 0 HA PRO A 16 1.004 -10.856 1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.535 -13.048 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.218 -11.439 2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.999 -13.145 4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.497 -12.236 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.203 -11.184 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.391 -10.154 4.872 1.00 0.00 H new ATOM 237 N GLU A 17 -1.099 -12.638 2.971 1.00 0.00 N ATOM 238 CA GLU A 17 -2.078 -13.725 2.946 1.00 0.00 C ATOM 239 C GLU A 17 -3.486 -13.206 2.634 1.00 0.00 C ATOM 240 O GLU A 17 -4.464 -13.916 2.825 1.00 0.00 O ATOM 241 CB GLU A 17 -1.977 -14.573 4.225 1.00 0.00 C ATOM 242 CG GLU A 17 -2.222 -13.802 5.529 1.00 0.00 C ATOM 243 CD GLU A 17 -1.901 -14.658 6.759 1.00 0.00 C ATOM 244 OE1 GLU A 17 -0.806 -15.273 6.797 1.00 0.00 O ATOM 245 OE2 GLU A 17 -2.698 -14.690 7.728 1.00 0.00 O ATOM 0 H GLU A 17 -1.325 -11.917 3.656 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.844 -14.401 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.697 -15.389 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.986 -15.025 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.608 -12.902 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.262 -13.479 5.571 1.00 0.00 H new ATOM 252 N GLU A 18 -3.597 -11.969 2.141 1.00 0.00 N ATOM 253 CA GLU A 18 -4.869 -11.317 1.822 1.00 0.00 C ATOM 254 C GLU A 18 -4.770 -10.521 0.510 1.00 0.00 C ATOM 255 O GLU A 18 -5.498 -9.557 0.275 1.00 0.00 O ATOM 256 CB GLU A 18 -5.320 -10.492 3.035 1.00 0.00 C ATOM 257 CG GLU A 18 -4.391 -9.315 3.370 1.00 0.00 C ATOM 258 CD GLU A 18 -4.624 -8.687 4.750 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.132 -9.328 5.693 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.116 -7.566 4.964 1.00 0.00 O ATOM 0 H GLU A 18 -2.786 -11.381 1.949 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.646 -12.058 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.323 -10.108 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.386 -11.148 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.358 -9.657 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.515 -8.544 2.609 1.00 0.00 H new ATOM 267 N LEU A 19 -3.830 -10.906 -0.354 1.00 0.00 N ATOM 268 CA LEU A 19 -3.504 -10.263 -1.627 1.00 0.00 C ATOM 269 C LEU A 19 -3.386 -11.322 -2.729 1.00 0.00 C ATOM 270 O LEU A 19 -2.461 -11.267 -3.547 1.00 0.00 O ATOM 271 CB LEU A 19 -2.182 -9.492 -1.489 1.00 0.00 C ATOM 272 CG LEU A 19 -2.152 -8.356 -0.461 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.693 -7.942 -0.209 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.968 -7.164 -0.976 1.00 0.00 C ATOM 0 H LEU A 19 -3.243 -11.721 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.297 -9.565 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.398 -10.204 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.928 -9.076 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.594 -8.695 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.665 -7.134 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.133 -8.796 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.245 -7.602 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.942 -6.360 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.542 -6.810 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.000 -7.473 -1.140 1.00 0.00 H new ATOM 286 N LEU A 20 -4.242 -12.347 -2.681 1.00 0.00 N ATOM 287 CA LEU A 20 -4.198 -13.497 -3.578 1.00 0.00 C ATOM 288 C LEU A 20 -5.427 -13.536 -4.491 1.00 0.00 C ATOM 289 O LEU A 20 -5.464 -14.363 -5.402 1.00 0.00 O ATOM 290 CB LEU A 20 -4.075 -14.828 -2.809 1.00 0.00 C ATOM 291 CG LEU A 20 -2.875 -15.057 -1.870 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.548 -14.501 -2.406 1.00 0.00 C ATOM 293 CD2 LEU A 20 -3.112 -14.529 -0.451 1.00 0.00 C ATOM 0 H LEU A 20 -5.000 -12.398 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.305 -13.378 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.981 -14.946 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.070 -15.631 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.787 -16.143 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.753 -14.702 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.310 -14.981 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.638 -13.425 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.230 -14.721 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.301 -13.456 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.974 -15.034 -0.014 1.00 0.00 H new ATOM 305 N ASP A 21 -6.408 -12.645 -4.307 1.00 0.00 N ATOM 306 CA ASP A 21 -7.592 -12.564 -5.158 1.00 0.00 C ATOM 307 C ASP A 21 -7.649 -11.208 -5.838 1.00 0.00 C ATOM 308 O ASP A 21 -7.576 -10.168 -5.182 1.00 0.00 O ATOM 309 CB ASP A 21 -8.887 -12.834 -4.376 1.00 0.00 C ATOM 310 CG ASP A 21 -9.442 -14.240 -4.591 1.00 0.00 C ATOM 311 OD1 ASP A 21 -9.298 -14.798 -5.712 1.00 0.00 O ATOM 312 OD2 ASP A 21 -10.116 -14.732 -3.662 1.00 0.00 O ATOM 0 H ASP A 21 -6.399 -11.955 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.510 -13.343 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.699 -12.684 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.641 -12.104 -4.672 1.00 0.00 H new ATOM 317 N ASP A 22 -7.789 -11.222 -7.164 1.00 0.00 N ATOM 318 CA ASP A 22 -7.867 -10.016 -7.989 1.00 0.00 C ATOM 319 C ASP A 22 -9.261 -9.377 -7.911 1.00 0.00 C ATOM 320 O ASP A 22 -9.445 -8.259 -8.386 1.00 0.00 O ATOM 321 CB ASP A 22 -7.548 -10.353 -9.457 1.00 0.00 C ATOM 322 CG ASP A 22 -6.053 -10.441 -9.774 1.00 0.00 C ATOM 323 OD1 ASP A 22 -5.447 -11.513 -9.528 1.00 0.00 O ATOM 324 OD2 ASP A 22 -5.504 -9.490 -10.379 1.00 0.00 O ATOM 0 H ASP A 22 -7.852 -12.085 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.134 -9.306 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.017 -11.304 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.999 -9.595 -10.098 1.00 0.00 H new ATOM 329 N GLU A 23 -10.262 -10.077 -7.365 1.00 0.00 N ATOM 330 CA GLU A 23 -11.602 -9.543 -7.133 1.00 0.00 C ATOM 331 C GLU A 23 -11.555 -8.606 -5.924 1.00 0.00 C ATOM 332 O GLU A 23 -11.844 -7.421 -6.067 1.00 0.00 O ATOM 333 CB GLU A 23 -12.614 -10.694 -6.950 1.00 0.00 C ATOM 334 CG GLU A 23 -12.857 -11.422 -8.285 1.00 0.00 C ATOM 335 CD GLU A 23 -13.769 -12.663 -8.225 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.568 -12.827 -7.270 1.00 0.00 O ATOM 337 OE2 GLU A 23 -13.629 -13.518 -9.140 1.00 0.00 O ATOM 0 H GLU A 23 -10.158 -11.047 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.938 -8.969 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.240 -11.399 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.556 -10.300 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.290 -10.712 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.892 -11.725 -8.691 1.00 0.00 H new ATOM 344 N GLU A 24 -11.149 -9.125 -4.759 1.00 0.00 N ATOM 345 CA GLU A 24 -11.099 -8.427 -3.479 1.00 0.00 C ATOM 346 C GLU A 24 -10.178 -7.204 -3.552 1.00 0.00 C ATOM 347 O GLU A 24 -10.474 -6.167 -2.959 1.00 0.00 O ATOM 348 CB GLU A 24 -10.673 -9.479 -2.428 1.00 0.00 C ATOM 349 CG GLU A 24 -10.051 -8.924 -1.144 1.00 0.00 C ATOM 350 CD GLU A 24 -9.674 -10.001 -0.111 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.019 -11.199 -0.290 1.00 0.00 O ATOM 352 OE2 GLU A 24 -9.017 -9.646 0.890 1.00 0.00 O ATOM 0 H GLU A 24 -10.832 -10.092 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.067 -8.012 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.548 -10.071 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.958 -10.159 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.158 -8.355 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.752 -8.226 -0.686 1.00 0.00 H new ATOM 359 N TYR A 25 -9.076 -7.323 -4.292 1.00 0.00 N ATOM 360 CA TYR A 25 -8.086 -6.280 -4.481 1.00 0.00 C ATOM 361 C TYR A 25 -8.715 -4.958 -4.955 1.00 0.00 C ATOM 362 O TYR A 25 -8.401 -3.908 -4.397 1.00 0.00 O ATOM 363 CB TYR A 25 -7.037 -6.824 -5.462 1.00 0.00 C ATOM 364 CG TYR A 25 -5.871 -5.903 -5.741 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.003 -4.898 -6.717 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.654 -6.061 -5.050 1.00 0.00 C ATOM 367 CE1 TYR A 25 -4.931 -4.039 -7.000 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.577 -5.201 -5.328 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.710 -4.187 -6.305 1.00 0.00 C ATOM 370 OH TYR A 25 -2.656 -3.372 -6.592 1.00 0.00 O ATOM 0 H TYR A 25 -8.846 -8.182 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.611 -6.031 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.650 -7.764 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.531 -7.053 -6.406 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.935 -4.787 -7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.548 -6.840 -4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.039 -3.267 -7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.645 -5.315 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.834 -3.759 -6.225 1.00 0.00 H new ATOM 380 N GLU A 26 -9.577 -4.982 -5.978 1.00 0.00 N ATOM 381 CA GLU A 26 -10.113 -3.779 -6.605 1.00 0.00 C ATOM 382 C GLU A 26 -11.140 -3.114 -5.683 1.00 0.00 C ATOM 383 O GLU A 26 -11.200 -1.886 -5.607 1.00 0.00 O ATOM 384 CB GLU A 26 -10.752 -4.168 -7.952 1.00 0.00 C ATOM 385 CG GLU A 26 -9.900 -3.817 -9.195 1.00 0.00 C ATOM 386 CD GLU A 26 -9.722 -2.311 -9.470 1.00 0.00 C ATOM 387 OE1 GLU A 26 -8.893 -1.666 -8.795 1.00 0.00 O ATOM 388 OE2 GLU A 26 -10.301 -1.775 -10.447 1.00 0.00 O ATOM 0 H GLU A 26 -9.922 -5.847 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.312 -3.061 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.945 -5.241 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.718 -3.671 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.914 -4.267 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.358 -4.277 -10.070 1.00 0.00 H new ATOM 395 N GLU A 27 -11.923 -3.923 -4.964 1.00 0.00 N ATOM 396 CA GLU A 27 -12.889 -3.443 -3.989 1.00 0.00 C ATOM 397 C GLU A 27 -12.166 -2.661 -2.904 1.00 0.00 C ATOM 398 O GLU A 27 -12.572 -1.551 -2.571 1.00 0.00 O ATOM 399 CB GLU A 27 -13.671 -4.600 -3.352 1.00 0.00 C ATOM 400 CG GLU A 27 -14.328 -5.549 -4.354 1.00 0.00 C ATOM 401 CD GLU A 27 -15.315 -4.893 -5.319 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.913 -3.843 -4.994 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.580 -5.512 -6.376 1.00 0.00 O ATOM 0 H GLU A 27 -11.899 -4.939 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.601 -2.800 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.995 -5.173 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.443 -4.186 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.546 -6.037 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.849 -6.331 -3.802 1.00 0.00 H new ATOM 410 N ILE A 28 -11.096 -3.242 -2.352 1.00 0.00 N ATOM 411 CA ILE A 28 -10.307 -2.621 -1.299 1.00 0.00 C ATOM 412 C ILE A 28 -9.669 -1.338 -1.838 1.00 0.00 C ATOM 413 O ILE A 28 -9.659 -0.334 -1.128 1.00 0.00 O ATOM 414 CB ILE A 28 -9.296 -3.651 -0.743 1.00 0.00 C ATOM 415 CG1 ILE A 28 -10.074 -4.722 0.065 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.244 -2.977 0.160 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.203 -5.889 0.548 1.00 0.00 C ATOM 0 H ILE A 28 -10.756 -4.163 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.929 -2.321 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.768 -4.112 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.538 -4.246 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.881 -5.115 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.549 -3.729 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.696 -2.231 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.742 -2.494 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.818 -6.596 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.760 -6.392 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.412 -5.509 1.194 1.00 0.00 H new ATOM 429 N VAL A 29 -9.157 -1.327 -3.072 1.00 0.00 N ATOM 430 CA VAL A 29 -8.605 -0.110 -3.656 1.00 0.00 C ATOM 431 C VAL A 29 -9.657 1.005 -3.639 1.00 0.00 C ATOM 432 O VAL A 29 -9.327 2.115 -3.219 1.00 0.00 O ATOM 433 CB VAL A 29 -8.021 -0.404 -5.052 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.759 0.869 -5.873 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.681 -1.149 -4.927 1.00 0.00 C ATOM 0 H VAL A 29 -9.115 -2.145 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.771 0.252 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.770 -1.008 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.348 0.597 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.694 1.411 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.048 1.503 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.282 -1.349 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.974 -0.535 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.836 -2.091 -4.402 1.00 0.00 H new ATOM 445 N GLU A 30 -10.896 0.761 -4.080 1.00 0.00 N ATOM 446 CA GLU A 30 -11.888 1.833 -4.148 1.00 0.00 C ATOM 447 C GLU A 30 -12.445 2.213 -2.783 1.00 0.00 C ATOM 448 O GLU A 30 -12.780 3.383 -2.564 1.00 0.00 O ATOM 449 CB GLU A 30 -13.037 1.491 -5.113 1.00 0.00 C ATOM 450 CG GLU A 30 -12.574 1.324 -6.567 1.00 0.00 C ATOM 451 CD GLU A 30 -13.458 2.089 -7.559 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.542 1.589 -7.948 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.045 3.190 -7.996 1.00 0.00 O ATOM 0 H GLU A 30 -11.229 -0.152 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.355 2.701 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.518 0.570 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.789 2.278 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.545 1.673 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.576 0.265 -6.826 1.00 0.00 H new ATOM 460 N ASP A 31 -12.533 1.261 -1.862 1.00 0.00 N ATOM 461 CA ASP A 31 -12.986 1.537 -0.503 1.00 0.00 C ATOM 462 C ASP A 31 -11.965 2.401 0.240 1.00 0.00 C ATOM 463 O ASP A 31 -12.309 3.393 0.894 1.00 0.00 O ATOM 464 CB ASP A 31 -13.226 0.249 0.283 1.00 0.00 C ATOM 465 CG ASP A 31 -13.645 0.600 1.714 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.737 1.189 1.910 1.00 0.00 O ATOM 467 OD2 ASP A 31 -12.871 0.305 2.653 1.00 0.00 O ATOM 0 H ASP A 31 -12.295 0.284 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.931 2.075 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.001 -0.346 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.320 -0.357 0.295 1.00 0.00 H new ATOM 472 N VAL A 32 -10.687 2.042 0.123 1.00 0.00 N ATOM 473 CA VAL A 32 -9.627 2.728 0.850 1.00 0.00 C ATOM 474 C VAL A 32 -9.442 4.084 0.203 1.00 0.00 C ATOM 475 O VAL A 32 -9.355 5.065 0.936 1.00 0.00 O ATOM 476 CB VAL A 32 -8.314 1.920 0.845 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.181 2.717 1.517 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.466 0.590 1.597 1.00 0.00 C ATOM 0 H VAL A 32 -10.363 1.278 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.905 2.840 1.898 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.073 1.723 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.264 2.128 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.022 3.650 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.454 2.938 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.521 0.048 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.744 0.787 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.241 -0.011 1.121 1.00 0.00 H new ATOM 488 N ARG A 33 -9.464 4.177 -1.135 1.00 0.00 N ATOM 489 CA ARG A 33 -9.341 5.450 -1.829 1.00 0.00 C ATOM 490 C ARG A 33 -10.365 6.438 -1.304 1.00 0.00 C ATOM 491 O ARG A 33 -10.083 7.633 -1.315 1.00 0.00 O ATOM 492 CB ARG A 33 -9.493 5.231 -3.343 1.00 0.00 C ATOM 493 CG ARG A 33 -9.307 6.518 -4.161 1.00 0.00 C ATOM 494 CD ARG A 33 -10.510 6.861 -5.035 1.00 0.00 C ATOM 495 NE ARG A 33 -11.765 7.026 -4.269 1.00 0.00 N ATOM 496 CZ ARG A 33 -12.979 6.675 -4.714 1.00 0.00 C ATOM 497 NH1 ARG A 33 -13.101 6.053 -5.883 1.00 0.00 N ATOM 498 NH2 ARG A 33 -14.079 6.948 -4.017 1.00 0.00 N ATOM 0 H ARG A 33 -9.567 3.373 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.353 5.871 -1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.764 4.490 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.481 4.818 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.114 7.347 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.426 6.413 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.303 7.781 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.647 6.074 -5.777 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.702 7.436 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.271 5.844 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.024 5.785 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.009 7.435 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.992 6.671 -4.376 1.00 0.00 H new ATOM 512 N ASP A 34 -11.541 6.009 -0.844 1.00 0.00 N ATOM 513 CA ASP A 34 -12.472 6.963 -0.253 1.00 0.00 C ATOM 514 C ASP A 34 -12.041 7.448 1.107 1.00 0.00 C ATOM 515 O ASP A 34 -12.273 8.611 1.439 1.00 0.00 O ATOM 516 CB ASP A 34 -13.874 6.405 -0.095 1.00 0.00 C ATOM 517 CG ASP A 34 -14.848 7.541 -0.395 1.00 0.00 C ATOM 518 OD1 ASP A 34 -14.740 8.113 -1.502 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.621 7.941 0.512 1.00 0.00 O ATOM 0 H ASP A 34 -11.862 5.041 -0.868 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.473 7.790 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.035 5.570 -0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.025 6.025 0.915 1.00 0.00 H new ATOM 524 N GLU A 35 -11.440 6.576 1.915 1.00 0.00 N ATOM 525 CA GLU A 35 -11.054 6.971 3.258 1.00 0.00 C ATOM 526 C GLU A 35 -10.006 8.087 3.111 1.00 0.00 C ATOM 527 O GLU A 35 -10.082 9.125 3.773 1.00 0.00 O ATOM 528 CB GLU A 35 -10.566 5.778 4.129 1.00 0.00 C ATOM 529 CG GLU A 35 -9.053 5.497 4.252 1.00 0.00 C ATOM 530 CD GLU A 35 -8.788 4.495 5.381 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.604 4.940 6.544 1.00 0.00 O ATOM 532 OE2 GLU A 35 -8.841 3.275 5.105 1.00 0.00 O ATOM 0 H GLU A 35 -11.216 5.613 1.666 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.920 7.343 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.953 5.929 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.036 4.875 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.672 5.103 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.518 6.426 4.448 1.00 0.00 H new ATOM 539 N CYS A 36 -9.061 7.909 2.178 1.00 0.00 N ATOM 540 CA CYS A 36 -8.037 8.886 1.879 1.00 0.00 C ATOM 541 C CYS A 36 -8.503 10.044 0.971 1.00 0.00 C ATOM 542 O CYS A 36 -7.899 11.120 1.021 1.00 0.00 O ATOM 543 CB CYS A 36 -6.723 8.189 1.467 1.00 0.00 C ATOM 544 SG CYS A 36 -6.872 6.641 0.543 1.00 0.00 S ATOM 0 H CYS A 36 -8.996 7.065 1.608 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.812 9.422 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.142 8.888 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.147 7.991 2.371 1.00 0.00 H new ATOM 0 HG CYS A 36 -7.775 5.889 1.099 1.00 0.00 H new ATOM 550 N SER A 37 -9.630 9.911 0.252 1.00 0.00 N ATOM 551 CA SER A 37 -10.314 10.983 -0.497 1.00 0.00 C ATOM 552 C SER A 37 -10.588 12.184 0.408 1.00 0.00 C ATOM 553 O SER A 37 -10.596 13.336 -0.036 1.00 0.00 O ATOM 554 CB SER A 37 -11.646 10.435 -1.064 1.00 0.00 C ATOM 555 OG SER A 37 -12.355 11.343 -1.881 1.00 0.00 O ATOM 0 H SER A 37 -10.112 9.015 0.172 1.00 0.00 H new ATOM 0 HA SER A 37 -9.672 11.311 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.437 9.534 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.285 10.139 -0.232 1.00 0.00 H new ATOM 0 HG SER A 37 -13.180 10.921 -2.199 1.00 0.00 H new ATOM 561 N LYS A 38 -10.775 11.941 1.707 1.00 0.00 N ATOM 562 CA LYS A 38 -11.098 12.979 2.678 1.00 0.00 C ATOM 563 C LYS A 38 -10.026 14.065 2.749 1.00 0.00 C ATOM 564 O LYS A 38 -10.350 15.195 3.116 1.00 0.00 O ATOM 565 CB LYS A 38 -11.327 12.315 4.037 1.00 0.00 C ATOM 566 CG LYS A 38 -12.566 11.414 3.972 1.00 0.00 C ATOM 567 CD LYS A 38 -12.810 10.694 5.298 1.00 0.00 C ATOM 568 CE LYS A 38 -14.307 10.737 5.599 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.596 10.393 6.999 1.00 0.00 N ATOM 0 H LYS A 38 -10.705 11.008 2.114 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.007 13.491 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.453 11.727 4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.459 13.076 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.440 12.014 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.441 10.679 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.464 9.662 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.248 11.173 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.692 11.734 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.830 10.044 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.622 10.434 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.252 9.432 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.118 11.069 7.628 1.00 0.00 H new ATOM 583 N TYR A 39 -8.802 13.788 2.299 1.00 0.00 N ATOM 584 CA TYR A 39 -7.667 14.696 2.349 1.00 0.00 C ATOM 585 C TYR A 39 -7.099 14.836 0.934 1.00 0.00 C ATOM 586 O TYR A 39 -5.916 14.606 0.688 1.00 0.00 O ATOM 587 CB TYR A 39 -6.647 14.165 3.355 1.00 0.00 C ATOM 588 CG TYR A 39 -7.209 13.816 4.725 1.00 0.00 C ATOM 589 CD1 TYR A 39 -7.849 12.577 4.925 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.134 14.737 5.789 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.485 12.291 6.142 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.728 14.434 7.029 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.435 13.222 7.199 1.00 0.00 C ATOM 594 OH TYR A 39 -9.141 12.985 8.336 1.00 0.00 O ATOM 0 H TYR A 39 -8.570 12.890 1.875 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.958 15.690 2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.176 13.276 2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.863 14.911 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.850 11.841 4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.620 15.677 5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.013 11.357 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.643 15.129 7.852 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.000 13.721 8.968 1.00 0.00 H new ATOM 604 N GLY A 40 -7.985 15.149 -0.008 1.00 0.00 N ATOM 605 CA GLY A 40 -7.662 15.686 -1.317 1.00 0.00 C ATOM 606 C GLY A 40 -8.316 14.862 -2.399 1.00 0.00 C ATOM 607 O GLY A 40 -9.543 14.809 -2.503 1.00 0.00 O ATOM 0 H GLY A 40 -8.988 15.028 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.998 16.721 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.581 15.692 -1.458 1.00 0.00 H new ATOM 611 N LEU A 41 -7.485 14.233 -3.221 1.00 0.00 N ATOM 612 CA LEU A 41 -7.876 13.374 -4.318 1.00 0.00 C ATOM 613 C LEU A 41 -6.710 12.428 -4.528 1.00 0.00 C ATOM 614 O LEU A 41 -5.600 12.847 -4.866 1.00 0.00 O ATOM 615 CB LEU A 41 -8.204 14.238 -5.538 1.00 0.00 C ATOM 616 CG LEU A 41 -8.633 13.533 -6.842 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.645 12.518 -7.411 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.971 12.823 -6.668 1.00 0.00 C ATOM 0 H LEU A 41 -6.472 14.316 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.776 12.791 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.001 14.925 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.326 14.844 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.691 14.354 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.052 12.087 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.700 13.015 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.476 11.726 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.248 12.335 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.886 12.075 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.736 13.550 -6.397 1.00 0.00 H new ATOM 630 N VAL A 42 -6.966 11.163 -4.241 1.00 0.00 N ATOM 631 CA VAL A 42 -6.043 10.055 -4.376 1.00 0.00 C ATOM 632 C VAL A 42 -5.985 9.687 -5.852 1.00 0.00 C ATOM 633 O VAL A 42 -6.991 9.293 -6.447 1.00 0.00 O ATOM 634 CB VAL A 42 -6.559 8.902 -3.514 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.823 7.590 -3.811 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.474 9.224 -2.019 1.00 0.00 C ATOM 0 H VAL A 42 -7.876 10.868 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.036 10.303 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.609 8.771 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.221 6.798 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.965 7.322 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.759 7.716 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.850 8.379 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.436 9.416 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.075 10.107 -1.802 1.00 0.00 H new ATOM 646 N LYS A 43 -4.813 9.849 -6.459 1.00 0.00 N ATOM 647 CA LYS A 43 -4.603 9.561 -7.865 1.00 0.00 C ATOM 648 C LYS A 43 -4.680 8.050 -8.099 1.00 0.00 C ATOM 649 O LYS A 43 -5.501 7.612 -8.902 1.00 0.00 O ATOM 650 CB LYS A 43 -3.271 10.175 -8.308 1.00 0.00 C ATOM 651 CG LYS A 43 -3.166 10.337 -9.818 1.00 0.00 C ATOM 652 CD LYS A 43 -3.648 11.727 -10.250 1.00 0.00 C ATOM 653 CE LYS A 43 -3.543 11.862 -11.767 1.00 0.00 C ATOM 654 NZ LYS A 43 -2.158 11.663 -12.241 1.00 0.00 N ATOM 0 H LYS A 43 -3.978 10.187 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.385 10.011 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.150 11.149 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.453 9.546 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.133 10.191 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.762 9.570 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.680 11.879 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.048 12.497 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.198 11.133 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.892 12.849 -12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.931 12.378 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.500 11.757 -11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.066 10.713 -12.655 1.00 0.00 H new ATOM 668 N SER A 44 -3.841 7.255 -7.425 1.00 0.00 N ATOM 669 CA SER A 44 -3.884 5.799 -7.485 1.00 0.00 C ATOM 670 C SER A 44 -3.109 5.210 -6.296 1.00 0.00 C ATOM 671 O SER A 44 -2.368 5.924 -5.609 1.00 0.00 O ATOM 672 CB SER A 44 -3.333 5.314 -8.841 1.00 0.00 C ATOM 673 OG SER A 44 -4.179 4.315 -9.386 1.00 0.00 O ATOM 0 H SER A 44 -3.106 7.615 -6.816 1.00 0.00 H new ATOM 0 HA SER A 44 -4.914 5.451 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.258 6.153 -9.532 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.326 4.917 -8.711 1.00 0.00 H new ATOM 0 HG SER A 44 -3.820 4.016 -10.247 1.00 0.00 H new ATOM 679 N ILE A 45 -3.283 3.910 -6.044 1.00 0.00 N ATOM 680 CA ILE A 45 -2.814 3.201 -4.857 1.00 0.00 C ATOM 681 C ILE A 45 -1.988 2.016 -5.340 1.00 0.00 C ATOM 682 O ILE A 45 -2.511 1.074 -5.937 1.00 0.00 O ATOM 683 CB ILE A 45 -4.007 2.773 -3.970 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.724 4.001 -3.380 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.553 1.900 -2.792 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.149 3.696 -2.912 1.00 0.00 C ATOM 0 H ILE A 45 -3.777 3.298 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.194 3.842 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.679 2.208 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.145 4.383 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.755 4.791 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.419 1.619 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.068 1.001 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.850 2.459 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.600 4.601 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.741 3.342 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.122 2.927 -2.140 1.00 0.00 H new ATOM 698 N GLU A 46 -0.685 2.073 -5.094 1.00 0.00 N ATOM 699 CA GLU A 46 0.238 0.987 -5.387 1.00 0.00 C ATOM 700 C GLU A 46 0.219 -0.032 -4.254 1.00 0.00 C ATOM 701 O GLU A 46 0.456 0.308 -3.090 1.00 0.00 O ATOM 702 CB GLU A 46 1.675 1.496 -5.590 1.00 0.00 C ATOM 703 CG GLU A 46 2.074 1.496 -7.067 1.00 0.00 C ATOM 704 CD GLU A 46 1.909 0.125 -7.747 1.00 0.00 C ATOM 705 OE1 GLU A 46 1.939 -0.934 -7.075 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.741 0.114 -8.991 1.00 0.00 O ATOM 0 H GLU A 46 -0.234 2.888 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.090 0.520 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.763 2.506 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.366 0.869 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.470 2.231 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.113 1.814 -7.155 1.00 0.00 H new ATOM 713 N ILE A 47 -0.045 -1.288 -4.606 1.00 0.00 N ATOM 714 CA ILE A 47 -0.061 -2.443 -3.720 1.00 0.00 C ATOM 715 C ILE A 47 0.658 -3.550 -4.495 1.00 0.00 C ATOM 716 O ILE A 47 0.021 -4.293 -5.231 1.00 0.00 O ATOM 717 CB ILE A 47 -1.501 -2.841 -3.285 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.420 -1.620 -3.072 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.408 -3.783 -2.066 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.750 -1.923 -2.382 1.00 0.00 C ATOM 0 H ILE A 47 -0.265 -1.538 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 47 0.442 -2.233 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.988 -3.386 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.882 -0.879 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.626 -1.166 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.411 -4.070 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.844 -4.675 -2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.903 -3.270 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.324 -1.002 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.316 -2.638 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.560 -2.345 -1.395 1.00 0.00 H new ATOM 732 N PRO A 48 1.998 -3.636 -4.444 1.00 0.00 N ATOM 733 CA PRO A 48 2.767 -4.502 -5.343 1.00 0.00 C ATOM 734 C PRO A 48 2.568 -6.015 -5.111 1.00 0.00 C ATOM 735 O PRO A 48 2.848 -6.797 -6.017 1.00 0.00 O ATOM 736 CB PRO A 48 4.221 -4.057 -5.166 1.00 0.00 C ATOM 737 CG PRO A 48 4.253 -3.435 -3.773 1.00 0.00 C ATOM 738 CD PRO A 48 2.892 -2.758 -3.707 1.00 0.00 C ATOM 0 HA PRO A 48 2.421 -4.387 -6.370 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.908 -4.900 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.514 -3.337 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.375 -4.186 -2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.070 -2.723 -3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.562 -2.635 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.924 -1.764 -4.152 1.00 0.00 H new ATOM 746 N ARG A 49 1.994 -6.423 -3.967 1.00 0.00 N ATOM 747 CA ARG A 49 1.570 -7.786 -3.578 1.00 0.00 C ATOM 748 C ARG A 49 2.678 -8.863 -3.526 1.00 0.00 C ATOM 749 O ARG A 49 3.766 -8.630 -4.050 1.00 0.00 O ATOM 750 CB ARG A 49 0.249 -8.219 -4.270 1.00 0.00 C ATOM 751 CG ARG A 49 -0.124 -7.699 -5.668 1.00 0.00 C ATOM 752 CD ARG A 49 -1.641 -7.758 -5.900 1.00 0.00 C ATOM 753 NE ARG A 49 -2.134 -8.990 -6.536 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.105 -9.250 -7.850 1.00 0.00 C ATOM 755 NH1 ARG A 49 -1.482 -8.460 -8.711 1.00 0.00 N ATOM 756 NH2 ARG A 49 -2.726 -10.300 -8.351 1.00 0.00 N ATOM 0 H ARG A 49 1.796 -5.753 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 49 1.330 -7.701 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.262 -9.307 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.566 -7.945 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.223 -6.672 -5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.385 -8.293 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.143 -7.639 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.930 -6.909 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.531 -9.705 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.003 -7.622 -8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.481 -8.689 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.240 -10.930 -7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.693 -10.482 -9.354 1.00 0.00 H new ATOM 770 N PRO A 50 2.479 -10.006 -2.827 1.00 0.00 N ATOM 771 CA PRO A 50 3.398 -11.152 -2.855 1.00 0.00 C ATOM 772 C PRO A 50 3.434 -11.770 -4.253 1.00 0.00 C ATOM 773 O PRO A 50 2.709 -11.341 -5.155 1.00 0.00 O ATOM 774 CB PRO A 50 2.884 -12.131 -1.788 1.00 0.00 C ATOM 775 CG PRO A 50 1.396 -11.819 -1.712 1.00 0.00 C ATOM 776 CD PRO A 50 1.348 -10.322 -1.964 1.00 0.00 C ATOM 0 HA PRO A 50 4.426 -10.865 -2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.063 -13.167 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.377 -11.975 -0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.829 -12.373 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.978 -12.078 -0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.408 -10.039 -2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.410 -9.770 -1.026 1.00 0.00 H new ATOM 784 N VAL A 51 4.266 -12.794 -4.428 1.00 0.00 N ATOM 785 CA VAL A 51 4.224 -13.639 -5.619 1.00 0.00 C ATOM 786 C VAL A 51 4.180 -15.089 -5.154 1.00 0.00 C ATOM 787 O VAL A 51 5.131 -15.562 -4.544 1.00 0.00 O ATOM 788 CB VAL A 51 5.405 -13.361 -6.576 1.00 0.00 C ATOM 789 CG1 VAL A 51 5.154 -14.026 -7.938 1.00 0.00 C ATOM 790 CG2 VAL A 51 5.654 -11.859 -6.802 1.00 0.00 C ATOM 0 H VAL A 51 4.983 -13.060 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 51 3.332 -13.413 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 51 6.290 -13.781 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.994 -13.822 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.051 -15.103 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.240 -13.625 -8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.495 -11.728 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.763 -11.404 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.880 -11.380 -5.849 1.00 0.00 H new ATOM 800 N ASP A 52 3.080 -15.780 -5.437 1.00 0.00 N ATOM 801 CA ASP A 52 2.820 -17.194 -5.178 1.00 0.00 C ATOM 802 C ASP A 52 3.009 -17.620 -3.718 1.00 0.00 C ATOM 803 O ASP A 52 3.327 -18.775 -3.429 1.00 0.00 O ATOM 804 CB ASP A 52 3.595 -18.029 -6.201 1.00 0.00 C ATOM 805 CG ASP A 52 3.041 -19.443 -6.370 1.00 0.00 C ATOM 806 OD1 ASP A 52 1.808 -19.603 -6.520 1.00 0.00 O ATOM 807 OD2 ASP A 52 3.859 -20.378 -6.499 1.00 0.00 O ATOM 0 H ASP A 52 2.284 -15.331 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 52 1.756 -17.385 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.575 -17.521 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.639 -18.089 -5.894 1.00 0.00 H new ATOM 812 N GLY A 53 2.788 -16.672 -2.800 1.00 0.00 N ATOM 813 CA GLY A 53 2.924 -16.835 -1.350 1.00 0.00 C ATOM 814 C GLY A 53 4.278 -16.367 -0.813 1.00 0.00 C ATOM 815 O GLY A 53 4.468 -16.272 0.405 1.00 0.00 O ATOM 0 H GLY A 53 2.497 -15.730 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.131 -16.277 -0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.783 -17.885 -1.095 1.00 0.00 H new ATOM 819 N VAL A 54 5.219 -16.041 -1.697 1.00 0.00 N ATOM 820 CA VAL A 54 6.593 -15.694 -1.365 1.00 0.00 C ATOM 821 C VAL A 54 6.678 -14.184 -1.112 1.00 0.00 C ATOM 822 O VAL A 54 5.998 -13.393 -1.778 1.00 0.00 O ATOM 823 CB VAL A 54 7.494 -16.149 -2.534 1.00 0.00 C ATOM 824 CG1 VAL A 54 8.975 -15.869 -2.269 1.00 0.00 C ATOM 825 CG2 VAL A 54 7.323 -17.651 -2.832 1.00 0.00 C ATOM 0 H VAL A 54 5.035 -16.011 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 54 6.931 -16.194 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 54 7.174 -15.566 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.567 -16.207 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.123 -14.799 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.291 -16.402 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.973 -17.934 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.589 -18.230 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.286 -17.853 -3.099 1.00 0.00 H new ATOM 835 N GLU A 55 7.555 -13.775 -0.194 1.00 0.00 N ATOM 836 CA GLU A 55 7.875 -12.379 0.079 1.00 0.00 C ATOM 837 C GLU A 55 8.573 -11.710 -1.112 1.00 0.00 C ATOM 838 O GLU A 55 9.391 -12.319 -1.802 1.00 0.00 O ATOM 839 CB GLU A 55 8.738 -12.294 1.349 1.00 0.00 C ATOM 840 CG GLU A 55 10.179 -12.760 1.097 1.00 0.00 C ATOM 841 CD GLU A 55 10.977 -13.085 2.360 1.00 0.00 C ATOM 842 OE1 GLU A 55 10.462 -13.826 3.223 1.00 0.00 O ATOM 843 OE2 GLU A 55 12.165 -12.680 2.419 1.00 0.00 O ATOM 0 H GLU A 55 8.075 -14.426 0.395 1.00 0.00 H new ATOM 0 HA GLU A 55 6.944 -11.835 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.748 -11.267 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.291 -12.906 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.154 -13.646 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.705 -11.984 0.541 1.00 0.00 H new ATOM 850 N VAL A 56 8.295 -10.427 -1.303 1.00 0.00 N ATOM 851 CA VAL A 56 8.949 -9.535 -2.263 1.00 0.00 C ATOM 852 C VAL A 56 9.285 -8.199 -1.586 1.00 0.00 C ATOM 853 O VAL A 56 8.583 -7.812 -0.643 1.00 0.00 O ATOM 854 CB VAL A 56 8.050 -9.276 -3.499 1.00 0.00 C ATOM 855 CG1 VAL A 56 8.591 -9.928 -4.780 1.00 0.00 C ATOM 856 CG2 VAL A 56 6.598 -9.728 -3.336 1.00 0.00 C ATOM 0 H VAL A 56 7.570 -9.952 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 56 9.864 -10.020 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 56 8.071 -8.190 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.919 -9.711 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.581 -9.529 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.658 -11.007 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.044 -9.508 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.570 -10.801 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.144 -9.198 -2.499 1.00 0.00 H new ATOM 866 N PRO A 57 10.279 -7.440 -2.089 1.00 0.00 N ATOM 867 CA PRO A 57 10.508 -6.082 -1.645 1.00 0.00 C ATOM 868 C PRO A 57 9.346 -5.205 -2.122 1.00 0.00 C ATOM 869 O PRO A 57 8.950 -5.224 -3.295 1.00 0.00 O ATOM 870 CB PRO A 57 11.859 -5.664 -2.220 1.00 0.00 C ATOM 871 CG PRO A 57 11.942 -6.468 -3.507 1.00 0.00 C ATOM 872 CD PRO A 57 11.215 -7.769 -3.156 1.00 0.00 C ATOM 0 HA PRO A 57 10.543 -5.981 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.903 -4.592 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.678 -5.902 -1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.462 -5.950 -4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.975 -6.651 -3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.690 -8.167 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.921 -8.534 -2.832 1.00 0.00 H new ATOM 880 N GLY A 58 8.770 -4.466 -1.183 1.00 0.00 N ATOM 881 CA GLY A 58 7.606 -3.614 -1.333 1.00 0.00 C ATOM 882 C GLY A 58 6.384 -4.186 -0.620 1.00 0.00 C ATOM 883 O GLY A 58 5.389 -3.475 -0.460 1.00 0.00 O ATOM 0 H GLY A 58 9.133 -4.448 -0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.828 -2.624 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.382 -3.489 -2.392 1.00 0.00 H new ATOM 887 N CYS A 59 6.417 -5.446 -0.174 1.00 0.00 N ATOM 888 CA CYS A 59 5.223 -6.105 0.325 1.00 0.00 C ATOM 889 C CYS A 59 4.856 -5.594 1.727 1.00 0.00 C ATOM 890 O CYS A 59 5.704 -5.494 2.616 1.00 0.00 O ATOM 891 CB CYS A 59 5.396 -7.632 0.230 1.00 0.00 C ATOM 892 SG CYS A 59 3.775 -8.449 0.235 1.00 0.00 S ATOM 0 H CYS A 59 7.259 -6.022 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 59 4.366 -5.852 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.937 -7.888 -0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.994 -7.990 1.068 1.00 0.00 H new ATOM 0 HG CYS A 59 3.938 -9.736 0.152 1.00 0.00 H new ATOM 898 N GLY A 60 3.587 -5.222 1.918 1.00 0.00 N ATOM 899 CA GLY A 60 3.041 -4.643 3.146 1.00 0.00 C ATOM 900 C GLY A 60 3.074 -3.112 3.166 1.00 0.00 C ATOM 901 O GLY A 60 2.425 -2.489 4.013 1.00 0.00 O ATOM 0 H GLY A 60 2.882 -5.321 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.011 -4.978 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.604 -5.022 3.999 1.00 0.00 H new ATOM 905 N LYS A 61 3.819 -2.493 2.246 1.00 0.00 N ATOM 906 CA LYS A 61 3.887 -1.048 2.081 1.00 0.00 C ATOM 907 C LYS A 61 2.920 -0.713 0.967 1.00 0.00 C ATOM 908 O LYS A 61 3.019 -1.286 -0.120 1.00 0.00 O ATOM 909 CB LYS A 61 5.308 -0.575 1.718 1.00 0.00 C ATOM 910 CG LYS A 61 6.388 -1.008 2.716 1.00 0.00 C ATOM 911 CD LYS A 61 7.037 -2.339 2.308 1.00 0.00 C ATOM 912 CE LYS A 61 7.977 -2.777 3.428 1.00 0.00 C ATOM 913 NZ LYS A 61 8.138 -4.242 3.471 1.00 0.00 N ATOM 0 H LYS A 61 4.404 -3.000 1.582 1.00 0.00 H new ATOM 0 HA LYS A 61 3.631 -0.544 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.566 -0.959 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.310 0.513 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.154 -0.235 2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.948 -1.107 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.273 -3.097 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.587 -2.223 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.951 -2.309 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.590 -2.426 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.355 -4.539 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.257 -4.697 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.916 -4.524 2.841 1.00 0.00 H new ATOM 927 N ILE A 62 1.953 0.150 1.238 1.00 0.00 N ATOM 928 CA ILE A 62 1.138 0.745 0.202 1.00 0.00 C ATOM 929 C ILE A 62 1.732 2.129 -0.035 1.00 0.00 C ATOM 930 O ILE A 62 2.269 2.761 0.883 1.00 0.00 O ATOM 931 CB ILE A 62 -0.339 0.741 0.635 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.982 -0.655 0.524 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.185 1.655 -0.260 1.00 0.00 C ATOM 934 CD1 ILE A 62 -0.250 -1.866 1.093 1.00 0.00 C ATOM 0 H ILE A 62 1.715 0.454 2.182 1.00 0.00 H new ATOM 0 HA ILE A 62 1.145 0.194 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.329 1.081 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.957 -0.605 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.161 -0.849 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.223 1.630 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.808 2.676 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.126 1.310 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.847 -2.763 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.714 -1.975 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.094 -1.727 2.163 1.00 0.00 H new ATOM 946 N PHE A 63 1.631 2.603 -1.270 1.00 0.00 N ATOM 947 CA PHE A 63 2.035 3.942 -1.656 1.00 0.00 C ATOM 948 C PHE A 63 0.823 4.575 -2.322 1.00 0.00 C ATOM 949 O PHE A 63 0.227 3.966 -3.212 1.00 0.00 O ATOM 950 CB PHE A 63 3.261 3.883 -2.573 1.00 0.00 C ATOM 951 CG PHE A 63 4.365 2.973 -2.066 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.267 1.585 -2.276 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.468 3.496 -1.368 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.241 0.720 -1.762 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.467 2.629 -0.887 1.00 0.00 C ATOM 956 CZ PHE A 63 6.354 1.241 -1.079 1.00 0.00 C ATOM 0 H PHE A 63 1.258 2.054 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 63 2.340 4.546 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.948 3.543 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.661 4.890 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.436 1.184 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.548 4.560 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.137 -0.347 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.324 3.032 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.119 0.578 -0.703 1.00 0.00 H new ATOM 966 N VAL A 64 0.418 5.757 -1.874 1.00 0.00 N ATOM 967 CA VAL A 64 -0.788 6.418 -2.345 1.00 0.00 C ATOM 968 C VAL A 64 -0.378 7.771 -2.909 1.00 0.00 C ATOM 969 O VAL A 64 0.254 8.587 -2.232 1.00 0.00 O ATOM 970 CB VAL A 64 -1.864 6.429 -1.241 1.00 0.00 C ATOM 971 CG1 VAL A 64 -1.450 7.173 0.027 1.00 0.00 C ATOM 972 CG2 VAL A 64 -3.172 7.026 -1.758 1.00 0.00 C ATOM 0 H VAL A 64 0.925 6.288 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.276 5.881 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.000 5.382 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.262 7.134 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.562 6.704 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.230 8.213 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.914 7.022 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.999 8.050 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.537 6.432 -2.596 1.00 0.00 H new ATOM 982 N GLU A 65 -0.668 7.951 -4.190 1.00 0.00 N ATOM 983 CA GLU A 65 -0.361 9.135 -4.968 1.00 0.00 C ATOM 984 C GLU A 65 -1.538 10.111 -4.815 1.00 0.00 C ATOM 985 O GLU A 65 -2.682 9.657 -4.698 1.00 0.00 O ATOM 986 CB GLU A 65 -0.223 8.641 -6.414 1.00 0.00 C ATOM 987 CG GLU A 65 0.499 9.608 -7.364 1.00 0.00 C ATOM 988 CD GLU A 65 1.972 9.237 -7.561 1.00 0.00 C ATOM 989 OE1 GLU A 65 2.564 8.682 -6.618 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.498 9.533 -8.661 1.00 0.00 O ATOM 0 H GLU A 65 -1.148 7.237 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 65 0.547 9.650 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.314 7.692 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.219 8.441 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.006 9.609 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.432 10.621 -6.968 1.00 0.00 H new ATOM 997 N PHE A 66 -1.310 11.425 -4.898 1.00 0.00 N ATOM 998 CA PHE A 66 -2.356 12.454 -4.839 1.00 0.00 C ATOM 999 C PHE A 66 -2.166 13.479 -5.962 1.00 0.00 C ATOM 1000 O PHE A 66 -1.075 13.601 -6.513 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.325 13.165 -3.474 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.861 12.369 -2.298 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -2.012 11.506 -1.581 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -4.192 12.541 -1.873 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.481 10.859 -0.426 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.664 11.886 -0.723 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.804 11.045 0.003 1.00 0.00 C ATOM 0 H PHE A 66 -0.373 11.813 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.323 11.968 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.295 13.448 -3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.899 14.088 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.000 11.341 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.855 13.181 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.820 10.215 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.684 12.029 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.161 10.542 0.890 1.00 0.00 H new ATOM 1017 N THR A 67 -3.195 14.272 -6.275 1.00 0.00 N ATOM 1018 CA THR A 67 -3.087 15.334 -7.280 1.00 0.00 C ATOM 1019 C THR A 67 -2.261 16.544 -6.814 1.00 0.00 C ATOM 1020 O THR A 67 -2.015 17.433 -7.636 1.00 0.00 O ATOM 1021 CB THR A 67 -4.480 15.767 -7.765 1.00 0.00 C ATOM 1022 OG1 THR A 67 -5.368 15.883 -6.673 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.029 14.751 -8.766 1.00 0.00 C ATOM 0 H THR A 67 -4.117 14.198 -5.844 1.00 0.00 H new ATOM 0 HA THR A 67 -2.536 14.906 -8.117 1.00 0.00 H new ATOM 0 HB THR A 67 -4.388 16.738 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.198 16.311 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.016 15.068 -9.102 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.358 14.685 -9.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.105 13.774 -8.288 1.00 0.00 H new ATOM 1031 N SER A 68 -1.827 16.618 -5.543 1.00 0.00 N ATOM 1032 CA SER A 68 -0.750 17.531 -5.185 1.00 0.00 C ATOM 1033 C SER A 68 0.026 17.087 -3.951 1.00 0.00 C ATOM 1034 O SER A 68 -0.514 16.441 -3.047 1.00 0.00 O ATOM 1035 CB SER A 68 -1.276 18.960 -4.994 1.00 0.00 C ATOM 1036 OG SER A 68 -2.026 19.073 -3.802 1.00 0.00 O ATOM 0 H SER A 68 -2.201 16.067 -4.770 1.00 0.00 H new ATOM 0 HA SER A 68 -0.053 17.515 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.439 19.658 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.897 19.239 -5.845 1.00 0.00 H new ATOM 0 HG SER A 68 -2.933 18.735 -3.953 1.00 0.00 H new ATOM 1042 N VAL A 69 1.261 17.585 -3.859 1.00 0.00 N ATOM 1043 CA VAL A 69 2.129 17.543 -2.682 1.00 0.00 C ATOM 1044 C VAL A 69 1.494 18.242 -1.470 1.00 0.00 C ATOM 1045 O VAL A 69 1.946 18.059 -0.342 1.00 0.00 O ATOM 1046 CB VAL A 69 3.498 18.178 -3.034 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.543 17.988 -1.922 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.071 17.584 -4.327 1.00 0.00 C ATOM 0 H VAL A 69 1.706 18.054 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 69 2.273 16.500 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 69 3.302 19.243 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.482 18.452 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.186 18.453 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.703 16.923 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.032 18.050 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.208 16.510 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.381 17.770 -5.150 1.00 0.00 H new ATOM 1058 N PHE A 70 0.467 19.068 -1.659 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.126 19.844 -0.580 1.00 0.00 C ATOM 1060 C PHE A 70 -1.323 19.139 0.043 1.00 0.00 C ATOM 1061 O PHE A 70 -1.689 19.485 1.165 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.514 21.212 -1.135 1.00 0.00 C ATOM 1063 CG PHE A 70 0.652 22.176 -1.133 1.00 0.00 C ATOM 1064 CD1 PHE A 70 0.971 22.869 0.048 1.00 0.00 C ATOM 1065 CD2 PHE A 70 1.463 22.327 -2.272 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.079 23.734 0.084 1.00 0.00 C ATOM 1067 CE2 PHE A 70 2.565 23.198 -2.233 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.871 23.910 -1.062 1.00 0.00 C ATOM 0 H PHE A 70 0.025 19.216 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 70 0.603 19.959 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.888 21.098 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.328 21.627 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.363 22.736 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.240 21.776 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.321 24.263 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.182 23.321 -3.111 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.711 24.589 -1.043 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.920 18.167 -0.648 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.040 17.386 -0.129 1.00 0.00 C ATOM 1080 C ASP A 71 -2.528 16.221 0.708 1.00 0.00 C ATOM 1081 O ASP A 71 -3.022 15.969 1.811 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.912 16.887 -1.289 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.886 17.978 -1.734 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -5.703 18.422 -0.897 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.777 18.452 -2.890 1.00 0.00 O ATOM 0 H ASP A 71 -1.637 17.899 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.651 18.021 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.280 16.592 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.466 16.001 -0.980 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.472 15.547 0.242 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.906 14.427 0.982 1.00 0.00 C ATOM 1092 C CYS A 72 -0.367 14.889 2.343 1.00 0.00 C ATOM 1093 O CYS A 72 -0.444 14.163 3.328 1.00 0.00 O ATOM 1094 CB CYS A 72 0.194 13.773 0.149 1.00 0.00 C ATOM 1095 SG CYS A 72 1.453 15.003 -0.252 1.00 0.00 S ATOM 0 H CYS A 72 -0.999 15.759 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.688 13.692 1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.641 12.946 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.227 13.355 -0.766 1.00 0.00 H new ATOM 0 HG CYS A 72 2.585 14.406 -0.483 1.00 0.00 H new ATOM 1101 N GLN A 73 0.124 16.128 2.419 1.00 0.00 N ATOM 1102 CA GLN A 73 0.561 16.781 3.640 1.00 0.00 C ATOM 1103 C GLN A 73 -0.574 16.998 4.649 1.00 0.00 C ATOM 1104 O GLN A 73 -0.279 17.307 5.803 1.00 0.00 O ATOM 1105 CB GLN A 73 1.221 18.116 3.260 1.00 0.00 C ATOM 1106 CG GLN A 73 2.693 17.920 2.885 1.00 0.00 C ATOM 1107 CD GLN A 73 3.365 19.260 2.616 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.720 19.994 3.533 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.527 19.623 1.362 1.00 0.00 N ATOM 0 H GLN A 73 0.229 16.721 1.596 1.00 0.00 H new ATOM 0 HA GLN A 73 1.274 16.127 4.142 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.686 18.563 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.145 18.813 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.213 17.403 3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.767 17.287 2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.228 19.004 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.952 20.524 1.143 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.847 16.861 4.271 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.988 16.892 5.177 1.00 0.00 C ATOM 1120 C LYS A 74 -3.355 15.457 5.542 1.00 0.00 C ATOM 1121 O LYS A 74 -3.605 15.167 6.707 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.161 17.633 4.513 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.702 18.911 3.796 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.826 19.888 3.439 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.353 20.847 2.337 1.00 0.00 C ATOM 1126 NZ LYS A 74 -3.285 21.776 2.766 1.00 0.00 N ATOM 0 H LYS A 74 -2.116 16.722 3.297 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.741 17.431 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.649 16.971 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.903 17.888 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.980 19.426 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.180 18.630 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.705 19.338 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.123 20.453 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.993 20.262 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.205 21.428 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.019 22.390 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.629 22.360 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.455 21.231 3.076 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.324 14.547 4.565 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.558 13.124 4.769 1.00 0.00 C ATOM 1142 C ALA A 75 -2.629 12.548 5.837 1.00 0.00 C ATOM 1143 O ALA A 75 -3.095 11.930 6.795 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.347 12.391 3.437 1.00 0.00 C ATOM 0 H ALA A 75 -3.131 14.788 3.593 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.581 12.986 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.520 11.324 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.046 12.777 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.326 12.551 3.092 1.00 0.00 H new ATOM 1150 N MET A 76 -1.318 12.748 5.663 1.00 0.00 N ATOM 1151 CA MET A 76 -0.283 11.980 6.352 1.00 0.00 C ATOM 1152 C MET A 76 -0.364 12.091 7.866 1.00 0.00 C ATOM 1153 O MET A 76 -0.023 11.143 8.572 1.00 0.00 O ATOM 1154 CB MET A 76 1.106 12.379 5.814 1.00 0.00 C ATOM 1155 CG MET A 76 1.829 13.568 6.460 1.00 0.00 C ATOM 1156 SD MET A 76 2.711 13.190 8.009 1.00 0.00 S ATOM 1157 CE MET A 76 3.998 12.043 7.433 1.00 0.00 C ATOM 0 H MET A 76 -0.945 13.457 5.032 1.00 0.00 H new ATOM 0 HA MET A 76 -0.454 10.925 6.136 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.757 11.509 5.900 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.000 12.594 4.751 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.544 13.972 5.743 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.099 14.353 6.658 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.807 12.007 8.163 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.571 11.047 7.315 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.389 12.386 6.475 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.824 13.256 8.314 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.016 13.662 9.690 1.00 0.00 C ATOM 1169 C GLN A 77 -2.461 13.406 10.123 1.00 0.00 C ATOM 1170 O GLN A 77 -2.691 12.938 11.238 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.609 15.134 9.869 1.00 0.00 C ATOM 1172 CG GLN A 77 -0.972 16.027 8.671 1.00 0.00 C ATOM 1173 CD GLN A 77 -0.696 17.490 8.947 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -1.624 18.285 9.084 1.00 0.00 O ATOM 1175 NE2 GLN A 77 0.564 17.868 9.016 1.00 0.00 N ATOM 0 H GLN A 77 -1.092 13.996 7.665 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.374 13.064 10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.091 15.528 10.764 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.467 15.186 10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.403 15.710 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.027 15.897 8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.309 17.182 8.898 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.794 18.847 9.188 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.443 13.670 9.255 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.856 13.556 9.592 1.00 0.00 C ATOM 1186 C GLY A 78 -5.252 12.128 9.947 1.00 0.00 C ATOM 1187 O GLY A 78 -6.199 11.925 10.708 1.00 0.00 O ATOM 0 H GLY A 78 -3.274 13.970 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.081 14.213 10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.457 13.899 8.750 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.500 11.158 9.422 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.738 9.726 9.505 1.00 0.00 C ATOM 1193 C LEU A 79 -3.510 9.015 10.095 1.00 0.00 C ATOM 1194 O LEU A 79 -3.314 7.814 9.860 1.00 0.00 O ATOM 1195 CB LEU A 79 -5.091 9.206 8.099 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.369 9.801 7.478 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.543 9.242 6.063 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.613 9.466 8.310 1.00 0.00 C ATOM 0 H LEU A 79 -3.654 11.373 8.894 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.574 9.516 10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.253 9.412 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.201 8.123 8.147 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.263 10.886 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.446 9.658 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.679 9.513 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.628 8.156 6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.494 9.903 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.732 8.384 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.499 9.873 9.315 1.00 0.00 H new ATOM 1210 N THR A 80 -2.658 9.724 10.842 1.00 0.00 N ATOM 1211 CA THR A 80 -1.576 9.100 11.589 1.00 0.00 C ATOM 1212 C THR A 80 -2.161 8.051 12.534 1.00 0.00 C ATOM 1213 O THR A 80 -3.074 8.345 13.313 1.00 0.00 O ATOM 1214 CB THR A 80 -0.789 10.160 12.371 1.00 0.00 C ATOM 1215 OG1 THR A 80 -0.146 11.052 11.498 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.255 9.570 13.321 1.00 0.00 C ATOM 0 H THR A 80 -2.703 10.738 10.942 1.00 0.00 H new ATOM 0 HA THR A 80 -0.887 8.613 10.899 1.00 0.00 H new ATOM 0 HB THR A 80 -1.531 10.682 12.975 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.315 10.782 10.571 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.772 10.377 13.840 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.238 8.927 14.050 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.976 8.984 12.751 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.642 6.824 12.474 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.029 5.754 13.376 1.00 0.00 C ATOM 1226 C GLY A 81 -3.421 5.207 13.087 1.00 0.00 C ATOM 1227 O GLY A 81 -3.899 4.376 13.857 1.00 0.00 O ATOM 0 H GLY A 81 -0.936 6.549 11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.304 4.944 13.302 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.994 6.121 14.402 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.094 5.642 12.011 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.398 5.112 11.641 1.00 0.00 C ATOM 1233 C ARG A 82 -5.275 3.641 11.240 1.00 0.00 C ATOM 1234 O ARG A 82 -4.214 3.024 11.358 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.060 6.002 10.561 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.559 6.237 10.820 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.479 5.773 9.680 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.893 6.001 10.021 1.00 0.00 N ATOM 1239 CZ ARG A 82 -10.939 5.582 9.297 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.789 5.028 8.105 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -12.171 5.721 9.760 1.00 0.00 N ATOM 0 H ARG A 82 -3.746 6.366 11.382 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.067 5.140 12.501 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.547 6.963 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.933 5.535 9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.843 5.717 11.735 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.723 7.300 10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.230 6.310 8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.314 4.714 9.483 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.092 6.519 10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.855 4.909 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.607 4.720 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.328 6.149 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.964 5.400 9.204 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.364 3.059 10.753 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.439 1.661 10.355 1.00 0.00 C ATOM 1257 C LYS A 83 -6.908 1.668 8.907 1.00 0.00 C ATOM 1258 O LYS A 83 -7.961 2.230 8.637 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.393 0.888 11.291 1.00 0.00 C ATOM 1260 CG LYS A 83 -6.987 1.031 12.768 1.00 0.00 C ATOM 1261 CD LYS A 83 -7.812 0.143 13.706 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.307 0.358 15.138 1.00 0.00 C ATOM 1263 NZ LYS A 83 -7.691 -0.732 16.055 1.00 0.00 N ATOM 0 H LYS A 83 -7.242 3.561 10.621 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.479 1.151 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.410 1.256 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.396 -0.167 11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.932 0.780 12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.099 2.072 13.071 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.870 0.395 13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.714 -0.905 13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.221 0.448 15.125 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.700 1.301 15.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.322 -0.531 17.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.728 -0.804 16.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.294 -1.630 15.712 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.137 1.103 7.978 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.513 1.050 6.550 1.00 0.00 C ATOM 1279 C PHE A 84 -6.833 -0.392 6.118 1.00 0.00 C ATOM 1280 O PHE A 84 -6.933 -0.715 4.934 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.382 1.655 5.700 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.351 3.167 5.505 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -5.558 4.068 6.566 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.100 3.678 4.218 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -5.510 5.456 6.337 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.044 5.060 3.986 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.242 5.954 5.049 1.00 0.00 C ATOM 0 H PHE A 84 -5.237 0.669 8.184 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.418 1.638 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.434 1.359 6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.425 1.194 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.754 3.693 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.948 2.995 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.680 6.142 7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.849 5.435 2.992 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.189 7.019 4.879 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.009 -1.269 7.101 1.00 0.00 N ATOM 1298 CA ALA A 85 -7.620 -2.585 6.970 1.00 0.00 C ATOM 1299 C ALA A 85 -8.096 -2.975 8.356 1.00 0.00 C ATOM 1300 O ALA A 85 -9.295 -3.035 8.622 1.00 0.00 O ATOM 1301 CB ALA A 85 -6.658 -3.642 6.396 1.00 0.00 C ATOM 0 H ALA A 85 -6.715 -1.070 8.057 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.444 -2.540 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.172 -4.600 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.326 -3.332 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.794 -3.743 7.053 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.141 -3.182 9.265 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.425 -3.613 10.627 1.00 0.00 C ATOM 1309 C ASN A 86 -6.337 -3.175 11.610 1.00 0.00 C ATOM 1310 O ASN A 86 -6.603 -3.040 12.804 1.00 0.00 O ATOM 1311 CB ASN A 86 -7.554 -5.148 10.633 1.00 0.00 C ATOM 1312 CG ASN A 86 -8.492 -5.672 11.710 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.160 -6.679 11.496 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -8.532 -5.069 12.880 1.00 0.00 N ATOM 0 H ASN A 86 -6.148 -3.054 9.072 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.354 -3.145 10.953 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.912 -5.479 9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.567 -5.587 10.776 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.124 -5.438 13.624 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.971 -4.233 13.042 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.106 -2.969 11.137 1.00 0.00 N ATOM 1322 CA ARG A 87 -3.921 -2.772 11.966 1.00 0.00 C ATOM 1323 C ARG A 87 -3.494 -1.308 11.946 1.00 0.00 C ATOM 1324 O ARG A 87 -4.046 -0.508 11.190 1.00 0.00 O ATOM 1325 CB ARG A 87 -2.806 -3.678 11.430 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.186 -5.163 11.469 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.256 -5.984 10.580 1.00 0.00 C ATOM 1328 NE ARG A 87 -2.613 -5.800 9.160 1.00 0.00 N ATOM 1329 CZ ARG A 87 -3.508 -6.533 8.481 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -4.068 -7.598 9.041 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -3.841 -6.179 7.249 1.00 0.00 N ATOM 0 H ARG A 87 -4.903 -2.934 10.138 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.138 -3.033 13.002 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.572 -3.393 10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.902 -3.522 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.134 -5.530 12.494 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.217 -5.288 11.138 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.222 -5.680 10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.325 -7.039 10.846 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.139 -5.053 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.819 -7.864 9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.748 -8.151 8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.418 -5.354 6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.521 -6.731 6.726 1.00 0.00 H new ATOM 1345 N VAL A 88 -2.522 -0.956 12.781 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.108 0.424 12.992 1.00 0.00 C ATOM 1347 C VAL A 88 -1.171 0.831 11.858 1.00 0.00 C ATOM 1348 O VAL A 88 -0.100 0.240 11.657 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.431 0.587 14.371 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -1.274 2.070 14.716 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -2.236 -0.088 15.496 1.00 0.00 C ATOM 0 H VAL A 88 -1.994 -1.630 13.336 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.980 1.078 12.987 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.456 0.105 14.299 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.796 2.168 15.690 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.659 2.557 13.959 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.256 2.543 14.745 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.721 0.053 16.447 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.229 0.358 15.551 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.329 -1.154 15.288 1.00 0.00 H new ATOM 1361 N VAL A 89 -1.592 1.830 11.097 1.00 0.00 N ATOM 1362 CA VAL A 89 -0.826 2.414 10.013 1.00 0.00 C ATOM 1363 C VAL A 89 0.341 3.225 10.586 1.00 0.00 C ATOM 1364 O VAL A 89 0.293 3.729 11.712 1.00 0.00 O ATOM 1365 CB VAL A 89 -1.816 3.243 9.156 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.169 4.091 8.057 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -2.830 2.274 8.513 1.00 0.00 C ATOM 0 H VAL A 89 -2.504 2.268 11.223 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.367 1.664 9.369 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.288 3.954 9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.942 4.633 7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.475 4.802 8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.628 3.442 7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.537 2.838 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.301 1.558 7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.370 1.740 9.295 1.00 0.00 H new ATOM 1377 N VAL A 90 1.387 3.378 9.778 1.00 0.00 N ATOM 1378 CA VAL A 90 2.374 4.435 9.923 1.00 0.00 C ATOM 1379 C VAL A 90 2.415 5.131 8.570 1.00 0.00 C ATOM 1380 O VAL A 90 2.234 4.470 7.545 1.00 0.00 O ATOM 1381 CB VAL A 90 3.749 3.877 10.344 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.732 5.036 10.576 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.670 3.035 11.625 1.00 0.00 C ATOM 0 H VAL A 90 1.572 2.757 8.990 1.00 0.00 H new ATOM 0 HA VAL A 90 2.109 5.135 10.716 1.00 0.00 H new ATOM 0 HB VAL A 90 4.094 3.233 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.702 4.637 10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.842 5.609 9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.350 5.685 11.364 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.663 2.665 11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.292 3.650 12.442 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.999 2.191 11.465 1.00 0.00 H new ATOM 1393 N THR A 91 2.661 6.435 8.560 1.00 0.00 N ATOM 1394 CA THR A 91 2.767 7.286 7.388 1.00 0.00 C ATOM 1395 C THR A 91 4.226 7.763 7.316 1.00 0.00 C ATOM 1396 O THR A 91 4.879 7.937 8.354 1.00 0.00 O ATOM 1397 CB THR A 91 1.724 8.426 7.501 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.528 8.815 8.855 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.347 7.994 6.999 1.00 0.00 C ATOM 0 H THR A 91 2.800 6.956 9.426 1.00 0.00 H new ATOM 0 HA THR A 91 2.539 6.771 6.455 1.00 0.00 H new ATOM 0 HB THR A 91 2.124 9.241 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.977 9.625 8.886 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.353 8.824 7.097 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.417 7.700 5.952 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.007 7.149 7.590 1.00 0.00 H new ATOM 1407 N LYS A 92 4.773 7.906 6.105 1.00 0.00 N ATOM 1408 CA LYS A 92 6.109 8.431 5.820 1.00 0.00 C ATOM 1409 C LYS A 92 6.053 9.154 4.480 1.00 0.00 C ATOM 1410 O LYS A 92 5.384 8.671 3.565 1.00 0.00 O ATOM 1411 CB LYS A 92 7.147 7.294 5.714 1.00 0.00 C ATOM 1412 CG LYS A 92 7.703 6.831 7.069 1.00 0.00 C ATOM 1413 CD LYS A 92 8.681 5.650 6.936 1.00 0.00 C ATOM 1414 CE LYS A 92 10.162 6.053 6.946 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.597 6.742 5.716 1.00 0.00 N ATOM 0 H LYS A 92 4.270 7.646 5.256 1.00 0.00 H new ATOM 0 HA LYS A 92 6.407 9.098 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.689 6.443 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.974 7.628 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.211 7.665 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.876 6.542 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.501 4.951 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.467 5.119 6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.347 6.703 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.771 5.160 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.620 6.924 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.389 6.144 4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.089 7.645 5.626 1.00 0.00 H new ATOM 1429 N TYR A 93 6.812 10.241 4.329 1.00 0.00 N ATOM 1430 CA TYR A 93 7.077 10.792 3.002 1.00 0.00 C ATOM 1431 C TYR A 93 7.887 9.772 2.206 1.00 0.00 C ATOM 1432 O TYR A 93 8.810 9.160 2.754 1.00 0.00 O ATOM 1433 CB TYR A 93 7.811 12.143 3.083 1.00 0.00 C ATOM 1434 CG TYR A 93 6.965 13.228 3.716 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.775 13.605 3.079 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.290 13.793 4.962 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.874 14.489 3.691 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.422 14.731 5.555 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.212 15.094 4.922 1.00 0.00 C ATOM 1440 OH TYR A 93 4.389 16.015 5.486 1.00 0.00 O ATOM 0 H TYR A 93 7.248 10.750 5.098 1.00 0.00 H new ATOM 0 HA TYR A 93 6.130 10.984 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.728 12.020 3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.104 12.454 2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.548 13.208 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.203 13.508 5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.925 14.706 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.684 15.177 6.503 1.00 0.00 H new ATOM 0 HH TYR A 93 4.776 16.326 6.331 1.00 0.00 H new ATOM 1450 N CYS A 94 7.538 9.605 0.935 1.00 0.00 N ATOM 1451 CA CYS A 94 8.228 8.792 -0.052 1.00 0.00 C ATOM 1452 C CYS A 94 8.779 9.731 -1.127 1.00 0.00 C ATOM 1453 O CYS A 94 8.805 10.955 -0.940 1.00 0.00 O ATOM 1454 CB CYS A 94 7.237 7.754 -0.618 1.00 0.00 C ATOM 1455 SG CYS A 94 7.971 6.099 -0.588 1.00 0.00 S ATOM 0 H CYS A 94 6.714 10.063 0.545 1.00 0.00 H new ATOM 0 HA CYS A 94 9.063 8.240 0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.318 7.762 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.966 8.020 -1.640 1.00 0.00 H new ATOM 0 HG CYS A 94 7.351 5.334 -1.437 1.00 0.00 H new ATOM 1461 N ASP A 95 9.190 9.174 -2.262 1.00 0.00 N ATOM 1462 CA ASP A 95 9.640 9.927 -3.421 1.00 0.00 C ATOM 1463 C ASP A 95 8.913 9.352 -4.644 1.00 0.00 C ATOM 1464 O ASP A 95 8.707 8.137 -4.699 1.00 0.00 O ATOM 1465 CB ASP A 95 11.163 9.805 -3.554 1.00 0.00 C ATOM 1466 CG ASP A 95 11.919 10.746 -2.605 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.131 10.403 -1.414 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.326 11.833 -3.067 1.00 0.00 O ATOM 0 H ASP A 95 9.219 8.164 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 95 9.411 10.989 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.460 8.776 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.452 10.023 -4.582 1.00 0.00 H new ATOM 1473 N PRO A 96 8.537 10.183 -5.634 1.00 0.00 N ATOM 1474 CA PRO A 96 7.760 9.748 -6.789 1.00 0.00 C ATOM 1475 C PRO A 96 8.631 9.039 -7.817 1.00 0.00 C ATOM 1476 O PRO A 96 8.103 8.292 -8.634 1.00 0.00 O ATOM 1477 CB PRO A 96 7.163 11.022 -7.392 1.00 0.00 C ATOM 1478 CG PRO A 96 8.198 12.082 -7.029 1.00 0.00 C ATOM 1479 CD PRO A 96 8.724 11.622 -5.675 1.00 0.00 C ATOM 0 HA PRO A 96 6.992 9.034 -6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.032 10.937 -8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.185 11.250 -6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.994 12.135 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.751 13.074 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.776 11.881 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.184 12.108 -4.862 1.00 0.00 H new ATOM 1487 N ASP A 97 9.948 9.271 -7.791 1.00 0.00 N ATOM 1488 CA ASP A 97 10.908 8.590 -8.656 1.00 0.00 C ATOM 1489 C ASP A 97 10.653 7.093 -8.575 1.00 0.00 C ATOM 1490 O ASP A 97 10.358 6.456 -9.584 1.00 0.00 O ATOM 1491 CB ASP A 97 12.344 8.892 -8.207 1.00 0.00 C ATOM 1492 CG ASP A 97 13.382 8.645 -9.303 1.00 0.00 C ATOM 1493 OD1 ASP A 97 13.382 7.554 -9.908 1.00 0.00 O ATOM 1494 OD2 ASP A 97 14.255 9.525 -9.512 1.00 0.00 O ATOM 0 H ASP A 97 10.379 9.946 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 97 10.787 8.941 -9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.406 9.931 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.585 8.275 -7.342 1.00 0.00 H new ATOM 1499 N SER A 98 10.680 6.571 -7.346 1.00 0.00 N ATOM 1500 CA SER A 98 10.561 5.161 -7.067 1.00 0.00 C ATOM 1501 C SER A 98 9.171 4.667 -7.499 1.00 0.00 C ATOM 1502 O SER A 98 9.057 3.591 -8.079 1.00 0.00 O ATOM 1503 CB SER A 98 10.820 4.923 -5.571 1.00 0.00 C ATOM 1504 OG SER A 98 11.926 5.683 -5.088 1.00 0.00 O ATOM 0 H SER A 98 10.788 7.141 -6.507 1.00 0.00 H new ATOM 0 HA SER A 98 11.301 4.593 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.927 5.184 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.008 3.863 -5.401 1.00 0.00 H new ATOM 0 HG SER A 98 12.054 5.503 -4.133 1.00 0.00 H new ATOM 1510 N TYR A 99 8.106 5.431 -7.228 1.00 0.00 N ATOM 1511 CA TYR A 99 6.719 5.023 -7.457 1.00 0.00 C ATOM 1512 C TYR A 99 6.407 4.813 -8.939 1.00 0.00 C ATOM 1513 O TYR A 99 5.708 3.864 -9.291 1.00 0.00 O ATOM 1514 CB TYR A 99 5.786 6.093 -6.874 1.00 0.00 C ATOM 1515 CG TYR A 99 4.298 5.832 -7.046 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.643 6.187 -8.242 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.549 5.306 -5.979 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.259 5.992 -8.385 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.158 5.135 -6.102 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.507 5.461 -7.314 1.00 0.00 C ATOM 1521 OH TYR A 99 0.157 5.308 -7.430 1.00 0.00 O ATOM 0 H TYR A 99 8.188 6.369 -6.835 1.00 0.00 H new ATOM 0 HA TYR A 99 6.564 4.064 -6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.998 6.194 -5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.025 7.050 -7.338 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.210 6.613 -9.056 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.044 5.032 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.770 6.248 -9.314 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.586 4.754 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.278 5.605 -6.604 1.00 0.00 H new ATOM 1531 N HIS A 100 6.939 5.655 -9.833 1.00 0.00 N ATOM 1532 CA HIS A 100 6.830 5.446 -11.271 1.00 0.00 C ATOM 1533 C HIS A 100 7.530 4.165 -11.745 1.00 0.00 C ATOM 1534 O HIS A 100 7.482 3.869 -12.946 1.00 0.00 O ATOM 1535 CB HIS A 100 7.431 6.661 -11.993 1.00 0.00 C ATOM 1536 CG HIS A 100 6.653 7.933 -11.788 1.00 0.00 C ATOM 1537 ND1 HIS A 100 7.042 9.023 -11.048 1.00 0.00 N ATOM 1538 CD2 HIS A 100 5.394 8.178 -12.254 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.048 9.926 -11.090 1.00 0.00 C ATOM 1540 NE2 HIS A 100 5.033 9.467 -11.846 1.00 0.00 N ATOM 0 H HIS A 100 7.455 6.496 -9.575 1.00 0.00 H new ATOM 0 HA HIS A 100 5.773 5.331 -11.509 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.453 6.811 -11.645 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.486 6.447 -13.060 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.928 9.128 -10.554 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.786 7.499 -12.833 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.061 10.883 -10.589 1.00 0.00 H new ATOM 1548 N ARG A 101 8.222 3.437 -10.863 1.00 0.00 N ATOM 1549 CA ARG A 101 9.163 2.358 -11.141 1.00 0.00 C ATOM 1550 C ARG A 101 8.916 1.234 -10.142 1.00 0.00 C ATOM 1551 O ARG A 101 7.923 1.243 -9.423 1.00 0.00 O ATOM 1552 CB ARG A 101 10.602 2.908 -11.057 1.00 0.00 C ATOM 1553 CG ARG A 101 10.758 4.116 -11.984 1.00 0.00 C ATOM 1554 CD ARG A 101 12.200 4.468 -12.331 1.00 0.00 C ATOM 1555 NE ARG A 101 12.414 4.289 -13.771 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.583 4.307 -14.405 1.00 0.00 C ATOM 1557 NH1 ARG A 101 14.719 4.559 -13.769 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.588 4.064 -15.704 1.00 0.00 N ATOM 0 H ARG A 101 8.129 3.603 -9.861 1.00 0.00 H new ATOM 0 HA ARG A 101 9.023 1.958 -12.145 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.830 3.195 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.314 2.131 -11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.213 3.921 -12.908 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.290 4.981 -11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.413 5.498 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.886 3.834 -11.769 1.00 0.00 H new ATOM 0 HE ARG A 101 11.584 4.135 -14.343 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.711 4.746 -12.766 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.600 4.566 -14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.712 3.870 -16.190 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.467 4.070 -16.221 1.00 0.00 H new ATOM 1572 N ARG A 102 9.762 0.205 -10.153 1.00 0.00 N ATOM 1573 CA ARG A 102 9.670 -0.989 -9.320 1.00 0.00 C ATOM 1574 C ARG A 102 10.991 -1.074 -8.563 1.00 0.00 C ATOM 1575 O ARG A 102 11.831 -1.920 -8.876 1.00 0.00 O ATOM 1576 CB ARG A 102 9.374 -2.237 -10.196 1.00 0.00 C ATOM 1577 CG ARG A 102 7.906 -2.573 -10.540 1.00 0.00 C ATOM 1578 CD ARG A 102 7.059 -1.338 -10.807 1.00 0.00 C ATOM 1579 NE ARG A 102 5.776 -1.609 -11.470 1.00 0.00 N ATOM 1580 CZ ARG A 102 4.893 -0.661 -11.804 1.00 0.00 C ATOM 1581 NH1 ARG A 102 5.161 0.627 -11.603 1.00 0.00 N ATOM 1582 NH2 ARG A 102 3.735 -0.984 -12.364 1.00 0.00 N ATOM 0 H ARG A 102 10.570 0.182 -10.775 1.00 0.00 H new ATOM 0 HA ARG A 102 8.846 -0.944 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.914 -2.117 -11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.801 -3.103 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.883 -3.219 -11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.466 -3.137 -9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.865 -0.835 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.633 -0.646 -11.424 1.00 0.00 H new ATOM 0 HE ARG A 102 5.545 -2.578 -11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.051 0.904 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.477 1.337 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.511 -1.963 -12.544 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.069 -0.254 -12.615 1.00 0.00 H new ATOM 1596 N ASP A 103 11.234 -0.153 -7.637 1.00 0.00 N ATOM 1597 CA ASP A 103 12.467 -0.070 -6.843 1.00 0.00 C ATOM 1598 C ASP A 103 12.194 -0.061 -5.336 1.00 0.00 C ATOM 1599 O ASP A 103 12.967 0.498 -4.551 1.00 0.00 O ATOM 1600 CB ASP A 103 13.351 1.125 -7.269 1.00 0.00 C ATOM 1601 CG ASP A 103 14.855 0.791 -7.136 1.00 0.00 C ATOM 1602 OD1 ASP A 103 15.236 -0.403 -7.029 1.00 0.00 O ATOM 1603 OD2 ASP A 103 15.683 1.725 -7.198 1.00 0.00 O ATOM 0 H ASP A 103 10.563 0.580 -7.407 1.00 0.00 H new ATOM 0 HA ASP A 103 13.029 -0.980 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.127 1.396 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.114 1.993 -6.653 1.00 0.00 H new ATOM 1608 N PHE A 104 11.074 -0.664 -4.921 1.00 0.00 N ATOM 1609 CA PHE A 104 10.663 -0.744 -3.522 1.00 0.00 C ATOM 1610 C PHE A 104 11.711 -1.538 -2.722 1.00 0.00 C ATOM 1611 O PHE A 104 12.480 -2.318 -3.305 1.00 0.00 O ATOM 1612 CB PHE A 104 9.274 -1.398 -3.384 1.00 0.00 C ATOM 1613 CG PHE A 104 8.354 -1.272 -4.583 1.00 0.00 C ATOM 1614 CD1 PHE A 104 8.466 -2.224 -5.616 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.432 -0.208 -4.706 1.00 0.00 C ATOM 1616 CE1 PHE A 104 7.701 -2.091 -6.782 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.641 -0.102 -5.862 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.805 -1.023 -6.903 1.00 0.00 C ATOM 0 H PHE A 104 10.420 -1.116 -5.561 1.00 0.00 H new ATOM 0 HA PHE A 104 10.593 0.268 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.414 -2.457 -3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.773 -0.961 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.143 -3.058 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.336 0.521 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.802 -2.809 -7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.909 0.687 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.233 -0.908 -7.812 1.00 0.00 H new ATOM 1628 N TRP A 105 11.695 -1.411 -1.392 1.00 0.00 N ATOM 1629 CA TRP A 105 12.510 -2.205 -0.483 1.00 0.00 C ATOM 1630 C TRP A 105 11.705 -2.512 0.774 1.00 0.00 C ATOM 1631 O TRP A 105 12.308 -2.850 1.814 1.00 0.00 O ATOM 1632 CB TRP A 105 13.853 -1.500 -0.212 1.00 0.00 C ATOM 1633 CG TRP A 105 14.983 -2.403 0.191 1.00 0.00 C ATOM 1634 CD1 TRP A 105 15.242 -3.615 -0.351 1.00 0.00 C ATOM 1635 CD2 TRP A 105 16.048 -2.182 1.169 1.00 0.00 C ATOM 1636 NE1 TRP A 105 16.353 -4.172 0.240 1.00 0.00 N ATOM 1637 CE2 TRP A 105 16.893 -3.333 1.187 1.00 0.00 C ATOM 1638 CE3 TRP A 105 16.389 -1.131 2.047 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 18.017 -3.424 2.019 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 17.519 -1.212 2.887 1.00 0.00 C ATOM 1641 CH2 TRP A 105 18.337 -2.355 2.872 1.00 0.00 C ATOM 0 H TRP A 105 11.100 -0.736 -0.912 1.00 0.00 H new ATOM 0 HA TRP A 105 12.769 -3.163 -0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 105 14.147 -0.957 -1.110 1.00 0.00 H new ATOM 0 HB3 TRP A 105 13.704 -0.760 0.574 1.00 0.00 H new ATOM 0 HD1 TRP A 105 14.661 -4.079 -1.134 1.00 0.00 H new ATOM 0 HE1 TRP A 105 16.729 -5.091 0.005 1.00 0.00 H new ATOM 0 HE3 TRP A 105 15.771 -0.246 2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 18.633 -4.311 2.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 17.757 -0.390 3.546 1.00 0.00 H new ATOM 0 HH2 TRP A 105 19.205 -2.411 3.512 1.00 0.00 H new TER 1652 TRP A 105