USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 982 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 92 CYS SG : rot 17:sc= 1.04 USER MOD Set 1.2: A 103 CYS SG : rot -10:sc= 1.04 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0132 (180deg=-0.164) USER MOD Single : A 15 GLN : amide:sc= 0.352 K(o=0.35,f=-0.25) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00678 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.255 (180deg=-1.06) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= -1.08 (180deg=-1.08) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -151:sc= -1.91 (180deg=-4.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-5.5!) USER MOD Single : A 61 GLN : amide:sc= 0.877 K(o=0.88,f=-0.074) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0.0766 K(o=0.077,f=-1.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 67:sc= 0.0482 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -165:sc= -5.93! (180deg=-7.15!) USER MOD Single : A 78 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 89 ASN : amide:sc= -0.0863 X(o=-0.086,f=0) USER MOD Single : A 90 TYR OH : rot -9:sc= 1.17 USER MOD Single : A 95 THR OG1 : rot -52:sc= 0.866 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.446 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 86:sc= 1.27 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-3.7!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.58) USER MOD Single : A 121 SER OG : rot 22:sc= 0.0224 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.630 9.146 14.611 1.00 0.00 N ATOM 2 CA GLY A 1 3.052 10.356 13.929 1.00 0.00 C ATOM 3 C GLY A 1 4.174 11.070 14.656 1.00 0.00 C ATOM 4 O GLY A 1 4.108 12.278 14.881 1.00 0.00 O ATOM 0 H1 GLY A 1 1.862 8.695 14.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.434 8.490 14.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.292 9.385 15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.379 10.105 12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.201 11.030 13.830 1.00 0.00 H new ATOM 8 N SER A 2 5.208 10.320 15.026 1.00 0.00 N ATOM 9 CA SER A 2 6.348 10.888 15.737 1.00 0.00 C ATOM 10 C SER A 2 7.434 11.326 14.760 1.00 0.00 C ATOM 11 O SER A 2 7.483 10.863 13.620 1.00 0.00 O ATOM 12 CB SER A 2 6.917 9.869 16.727 1.00 0.00 C ATOM 13 OG SER A 2 7.537 8.791 16.049 1.00 0.00 O ATOM 0 H SER A 2 5.280 9.319 14.845 1.00 0.00 H new ATOM 0 HA SER A 2 6.003 11.764 16.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.641 10.357 17.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.118 9.491 17.364 1.00 0.00 H new ATOM 0 HG SER A 2 7.894 8.155 16.703 1.00 0.00 H new ATOM 19 N SER A 3 8.305 12.221 15.215 1.00 0.00 N ATOM 20 CA SER A 3 9.390 12.725 14.381 1.00 0.00 C ATOM 21 C SER A 3 10.743 12.253 14.905 1.00 0.00 C ATOM 22 O SER A 3 11.174 12.647 15.987 1.00 0.00 O ATOM 23 CB SER A 3 9.354 14.254 14.332 1.00 0.00 C ATOM 24 OG SER A 3 8.549 14.711 13.259 1.00 0.00 O ATOM 0 H SER A 3 8.281 12.612 16.157 1.00 0.00 H new ATOM 0 HA SER A 3 9.254 12.332 13.373 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.965 14.642 15.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.367 14.641 14.222 1.00 0.00 H new ATOM 0 HG SER A 3 8.541 15.691 13.250 1.00 0.00 H new ATOM 30 N GLY A 4 11.408 11.405 14.126 1.00 0.00 N ATOM 31 CA GLY A 4 12.705 10.892 14.527 1.00 0.00 C ATOM 32 C GLY A 4 13.053 9.589 13.834 1.00 0.00 C ATOM 33 O GLY A 4 13.424 8.612 14.484 1.00 0.00 O ATOM 0 H GLY A 4 11.072 11.064 13.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.471 11.635 14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.714 10.740 15.606 1.00 0.00 H new ATOM 37 N SER A 5 12.930 9.574 12.511 1.00 0.00 N ATOM 38 CA SER A 5 13.229 8.379 11.729 1.00 0.00 C ATOM 39 C SER A 5 14.365 8.644 10.745 1.00 0.00 C ATOM 40 O SER A 5 14.280 9.545 9.911 1.00 0.00 O ATOM 41 CB SER A 5 11.983 7.913 10.974 1.00 0.00 C ATOM 42 OG SER A 5 10.946 7.558 11.873 1.00 0.00 O ATOM 0 H SER A 5 12.626 10.375 11.958 1.00 0.00 H new ATOM 0 HA SER A 5 13.543 7.594 12.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.638 8.706 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.233 7.058 10.346 1.00 0.00 H new ATOM 0 HG SER A 5 10.160 7.265 11.366 1.00 0.00 H new ATOM 48 N SER A 6 15.427 7.852 10.850 1.00 0.00 N ATOM 49 CA SER A 6 16.582 8.002 9.972 1.00 0.00 C ATOM 50 C SER A 6 16.817 6.730 9.163 1.00 0.00 C ATOM 51 O SER A 6 16.394 5.644 9.554 1.00 0.00 O ATOM 52 CB SER A 6 17.830 8.338 10.790 1.00 0.00 C ATOM 53 OG SER A 6 18.116 7.315 11.728 1.00 0.00 O ATOM 0 H SER A 6 15.512 7.100 11.534 1.00 0.00 H new ATOM 0 HA SER A 6 16.379 8.820 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.681 8.472 10.122 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.683 9.283 11.312 1.00 0.00 H new ATOM 0 HG SER A 6 18.919 7.553 12.237 1.00 0.00 H new ATOM 59 N GLY A 7 17.498 6.875 8.029 1.00 0.00 N ATOM 60 CA GLY A 7 17.779 5.732 7.181 1.00 0.00 C ATOM 61 C GLY A 7 16.517 5.050 6.690 1.00 0.00 C ATOM 62 O GLY A 7 16.283 3.877 6.983 1.00 0.00 O ATOM 0 H GLY A 7 17.860 7.764 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.370 6.056 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.385 5.014 7.733 1.00 0.00 H new ATOM 66 N ILE A 8 15.701 5.786 5.943 1.00 0.00 N ATOM 67 CA ILE A 8 14.457 5.245 5.412 1.00 0.00 C ATOM 68 C ILE A 8 14.681 4.577 4.059 1.00 0.00 C ATOM 69 O ILE A 8 15.546 4.990 3.286 1.00 0.00 O ATOM 70 CB ILE A 8 13.386 6.342 5.258 1.00 0.00 C ATOM 71 CG1 ILE A 8 12.035 5.720 4.901 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.808 7.350 4.199 1.00 0.00 C ATOM 73 CD1 ILE A 8 10.866 6.660 5.099 1.00 0.00 C ATOM 0 H ILE A 8 15.879 6.758 5.692 1.00 0.00 H new ATOM 0 HA ILE A 8 14.105 4.502 6.128 1.00 0.00 H new ATOM 0 HB ILE A 8 13.284 6.865 6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.057 5.395 3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.882 4.829 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.041 8.118 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 8 14.750 7.813 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.935 6.842 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.941 6.152 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 8 10.818 6.966 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.996 7.540 4.469 1.00 0.00 H new ATOM 85 N LEU A 9 13.895 3.544 3.779 1.00 0.00 N ATOM 86 CA LEU A 9 14.005 2.818 2.518 1.00 0.00 C ATOM 87 C LEU A 9 12.823 3.129 1.606 1.00 0.00 C ATOM 88 O LEU A 9 12.999 3.608 0.485 1.00 0.00 O ATOM 89 CB LEU A 9 14.082 1.313 2.778 1.00 0.00 C ATOM 90 CG LEU A 9 15.275 0.835 3.606 1.00 0.00 C ATOM 91 CD1 LEU A 9 15.255 -0.679 3.747 1.00 0.00 C ATOM 92 CD2 LEU A 9 16.581 1.296 2.975 1.00 0.00 C ATOM 0 H LEU A 9 13.174 3.190 4.408 1.00 0.00 H new ATOM 0 HA LEU A 9 14.919 3.141 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.167 1.005 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.103 0.799 1.817 1.00 0.00 H new ATOM 0 HG LEU A 9 15.201 1.273 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.112 -1.001 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.335 -0.986 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.304 -1.137 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.419 0.947 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.663 0.887 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.597 2.385 2.927 1.00 0.00 H new ATOM 104 N PHE A 10 11.618 2.855 2.093 1.00 0.00 N ATOM 105 CA PHE A 10 10.406 3.106 1.322 1.00 0.00 C ATOM 106 C PHE A 10 10.537 4.387 0.504 1.00 0.00 C ATOM 107 O PHE A 10 10.405 5.491 1.034 1.00 0.00 O ATOM 108 CB PHE A 10 9.195 3.203 2.253 1.00 0.00 C ATOM 109 CG PHE A 10 7.928 2.674 1.645 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.833 1.349 1.252 1.00 0.00 C ATOM 111 CD2 PHE A 10 6.831 3.501 1.468 1.00 0.00 C ATOM 112 CE1 PHE A 10 6.669 0.859 0.692 1.00 0.00 C ATOM 113 CE2 PHE A 10 5.663 3.017 0.908 1.00 0.00 C ATOM 114 CZ PHE A 10 5.582 1.694 0.521 1.00 0.00 C ATOM 0 H PHE A 10 11.454 2.459 3.019 1.00 0.00 H new ATOM 0 HA PHE A 10 10.262 2.271 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.406 2.652 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.046 4.245 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.679 0.691 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.889 4.536 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.609 -0.176 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.815 3.673 0.774 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.670 1.313 0.085 1.00 0.00 H new ATOM 124 N ILE A 11 10.799 4.232 -0.789 1.00 0.00 N ATOM 125 CA ILE A 11 10.948 5.375 -1.681 1.00 0.00 C ATOM 126 C ILE A 11 9.605 6.047 -1.942 1.00 0.00 C ATOM 127 O ILE A 11 9.318 7.114 -1.400 1.00 0.00 O ATOM 128 CB ILE A 11 11.573 4.962 -3.026 1.00 0.00 C ATOM 129 CG1 ILE A 11 13.038 4.565 -2.833 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.455 6.095 -4.035 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.864 5.624 -2.136 1.00 0.00 C ATOM 0 H ILE A 11 10.913 3.326 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 11 11.613 6.080 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 11 11.030 4.099 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.083 3.642 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.480 4.353 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.901 5.788 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.403 6.335 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.976 6.975 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.891 5.275 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.850 6.542 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.447 5.819 -1.148 1.00 0.00 H new ATOM 143 N GLU A 12 8.784 5.414 -2.774 1.00 0.00 N ATOM 144 CA GLU A 12 7.470 5.951 -3.106 1.00 0.00 C ATOM 145 C GLU A 12 6.394 5.354 -2.202 1.00 0.00 C ATOM 146 O GLU A 12 6.590 4.300 -1.597 1.00 0.00 O ATOM 147 CB GLU A 12 7.134 5.669 -4.572 1.00 0.00 C ATOM 148 CG GLU A 12 6.226 6.712 -5.200 1.00 0.00 C ATOM 149 CD GLU A 12 6.942 8.020 -5.475 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.876 8.355 -4.717 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.570 8.708 -6.448 1.00 0.00 O ATOM 0 H GLU A 12 9.006 4.529 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 12 7.496 7.029 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.060 5.614 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.656 4.692 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.821 6.321 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.380 6.897 -4.538 1.00 0.00 H new ATOM 158 N LYS A 13 5.257 6.037 -2.115 1.00 0.00 N ATOM 159 CA LYS A 13 4.149 5.576 -1.287 1.00 0.00 C ATOM 160 C LYS A 13 2.852 5.532 -2.089 1.00 0.00 C ATOM 161 O LYS A 13 2.643 6.312 -3.018 1.00 0.00 O ATOM 162 CB LYS A 13 3.979 6.490 -0.072 1.00 0.00 C ATOM 163 CG LYS A 13 5.166 6.469 0.876 1.00 0.00 C ATOM 164 CD LYS A 13 5.104 7.613 1.873 1.00 0.00 C ATOM 165 CE LYS A 13 5.466 8.940 1.223 1.00 0.00 C ATOM 166 NZ LYS A 13 6.916 9.019 0.896 1.00 0.00 N ATOM 0 H LYS A 13 5.079 6.912 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 13 4.379 4.567 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.818 7.512 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.084 6.192 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.188 5.520 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.091 6.534 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.101 7.675 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.786 7.414 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.881 9.070 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.200 9.757 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.170 10.004 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.474 8.688 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.119 8.420 0.070 1.00 0.00 H new ATOM 180 N PRO A 14 1.960 4.601 -1.722 1.00 0.00 N ATOM 181 CA PRO A 14 0.667 4.435 -2.393 1.00 0.00 C ATOM 182 C PRO A 14 -0.283 5.595 -2.116 1.00 0.00 C ATOM 183 O PRO A 14 -1.112 5.527 -1.209 1.00 0.00 O ATOM 184 CB PRO A 14 0.118 3.139 -1.792 1.00 0.00 C ATOM 185 CG PRO A 14 0.777 3.031 -0.460 1.00 0.00 C ATOM 186 CD PRO A 14 2.143 3.638 -0.623 1.00 0.00 C ATOM 0 HA PRO A 14 0.772 4.406 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.967 3.176 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.353 2.280 -2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.204 3.559 0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.848 1.991 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.476 4.130 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.891 2.884 -0.870 1.00 0.00 H new ATOM 194 N GLN A 15 -0.157 6.659 -2.903 1.00 0.00 N ATOM 195 CA GLN A 15 -1.005 7.834 -2.741 1.00 0.00 C ATOM 196 C GLN A 15 -2.480 7.457 -2.832 1.00 0.00 C ATOM 197 O GLN A 15 -2.988 7.151 -3.910 1.00 0.00 O ATOM 198 CB GLN A 15 -0.668 8.882 -3.803 1.00 0.00 C ATOM 199 CG GLN A 15 0.725 9.472 -3.654 1.00 0.00 C ATOM 200 CD GLN A 15 1.112 9.700 -2.206 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.665 10.658 -1.575 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.946 8.817 -1.670 1.00 0.00 N ATOM 0 H GLN A 15 0.524 6.731 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.816 8.254 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.758 8.429 -4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.402 9.687 -3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.450 8.804 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.774 10.419 -4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.292 8.038 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.240 8.918 -0.699 1.00 0.00 H new ATOM 211 N GLY A 16 -3.163 7.481 -1.692 1.00 0.00 N ATOM 212 CA GLY A 16 -4.573 7.139 -1.665 1.00 0.00 C ATOM 213 C GLY A 16 -5.392 7.978 -2.627 1.00 0.00 C ATOM 214 O GLY A 16 -4.948 9.036 -3.070 1.00 0.00 O ATOM 0 H GLY A 16 -2.765 7.731 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.693 6.085 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.957 7.273 -0.654 1.00 0.00 H new ATOM 218 N GLY A 17 -6.591 7.503 -2.951 1.00 0.00 N ATOM 219 CA GLY A 17 -7.453 8.228 -3.866 1.00 0.00 C ATOM 220 C GLY A 17 -8.913 7.851 -3.708 1.00 0.00 C ATOM 221 O GLY A 17 -9.319 7.331 -2.669 1.00 0.00 O ATOM 0 H GLY A 17 -6.980 6.630 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.337 9.299 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.139 8.030 -4.891 1.00 0.00 H new ATOM 225 N THR A 18 -9.706 8.117 -4.742 1.00 0.00 N ATOM 226 CA THR A 18 -11.129 7.805 -4.712 1.00 0.00 C ATOM 227 C THR A 18 -11.571 7.131 -6.006 1.00 0.00 C ATOM 228 O THR A 18 -11.518 7.731 -7.080 1.00 0.00 O ATOM 229 CB THR A 18 -11.977 9.072 -4.491 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.551 9.745 -3.301 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.453 8.723 -4.382 1.00 0.00 C ATOM 0 H THR A 18 -9.386 8.548 -5.610 1.00 0.00 H new ATOM 0 HA THR A 18 -11.286 7.122 -3.877 1.00 0.00 H new ATOM 0 HB THR A 18 -11.838 9.730 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.094 10.550 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 18 -14.032 9.634 -4.226 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.781 8.237 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.606 8.047 -3.540 1.00 0.00 H new ATOM 239 N VAL A 19 -12.009 5.881 -5.897 1.00 0.00 N ATOM 240 CA VAL A 19 -12.463 5.126 -7.059 1.00 0.00 C ATOM 241 C VAL A 19 -13.968 4.890 -7.007 1.00 0.00 C ATOM 242 O VAL A 19 -14.538 4.670 -5.938 1.00 0.00 O ATOM 243 CB VAL A 19 -11.745 3.767 -7.161 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.078 2.895 -5.959 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.115 3.065 -8.458 1.00 0.00 C ATOM 0 H VAL A 19 -12.059 5.370 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.222 5.723 -7.938 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.669 3.944 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.562 1.939 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.757 3.396 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.154 2.724 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.599 2.107 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.192 2.899 -8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.820 3.685 -9.304 1.00 0.00 H new ATOM 255 N LYS A 20 -14.609 4.937 -8.170 1.00 0.00 N ATOM 256 CA LYS A 20 -16.049 4.726 -8.260 1.00 0.00 C ATOM 257 C LYS A 20 -16.397 3.253 -8.069 1.00 0.00 C ATOM 258 O LYS A 20 -15.569 2.374 -8.308 1.00 0.00 O ATOM 259 CB LYS A 20 -16.573 5.214 -9.613 1.00 0.00 C ATOM 260 CG LYS A 20 -18.077 5.425 -9.642 1.00 0.00 C ATOM 261 CD LYS A 20 -18.488 6.625 -8.805 1.00 0.00 C ATOM 262 CE LYS A 20 -18.113 7.933 -9.484 1.00 0.00 C ATOM 263 NZ LYS A 20 -19.206 8.436 -10.362 1.00 0.00 N ATOM 0 H LYS A 20 -14.153 5.120 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.525 5.299 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.078 6.151 -9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.301 4.490 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.405 5.569 -10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.578 4.532 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.564 6.599 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.008 6.570 -7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.882 8.682 -8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.209 7.789 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.911 9.329 -10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.410 7.733 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.061 8.598 -9.793 1.00 0.00 H new ATOM 277 N VAL A 21 -17.627 2.991 -7.638 1.00 0.00 N ATOM 278 CA VAL A 21 -18.085 1.625 -7.418 1.00 0.00 C ATOM 279 C VAL A 21 -18.104 0.835 -8.722 1.00 0.00 C ATOM 280 O VAL A 21 -18.767 1.221 -9.684 1.00 0.00 O ATOM 281 CB VAL A 21 -19.492 1.598 -6.793 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.066 0.190 -6.829 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.453 2.130 -5.369 1.00 0.00 C ATOM 0 H VAL A 21 -18.324 3.707 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.380 1.163 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.143 2.245 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.061 0.191 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.132 -0.150 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.417 -0.482 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.456 2.104 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.787 1.511 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.088 3.157 -5.374 1.00 0.00 H new ATOM 293 N GLY A 22 -17.373 -0.276 -8.746 1.00 0.00 N ATOM 294 CA GLY A 22 -17.321 -1.103 -9.937 1.00 0.00 C ATOM 295 C GLY A 22 -16.120 -0.791 -10.808 1.00 0.00 C ATOM 296 O GLY A 22 -15.766 -1.571 -11.690 1.00 0.00 O ATOM 0 H GLY A 22 -16.817 -0.617 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.291 -2.153 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.233 -0.958 -10.516 1.00 0.00 H new ATOM 300 N GLU A 23 -15.494 0.355 -10.560 1.00 0.00 N ATOM 301 CA GLU A 23 -14.328 0.770 -11.331 1.00 0.00 C ATOM 302 C GLU A 23 -13.087 -0.009 -10.903 1.00 0.00 C ATOM 303 O GLU A 23 -13.166 -0.916 -10.074 1.00 0.00 O ATOM 304 CB GLU A 23 -14.084 2.271 -11.162 1.00 0.00 C ATOM 305 CG GLU A 23 -14.704 3.116 -12.262 1.00 0.00 C ATOM 306 CD GLU A 23 -14.534 2.500 -13.637 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.376 2.288 -14.054 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.560 2.230 -14.297 1.00 0.00 O ATOM 0 H GLU A 23 -15.774 1.012 -9.832 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.525 0.557 -12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.486 2.590 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.010 2.455 -11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.766 3.250 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.250 4.107 -12.253 1.00 0.00 H new ATOM 315 N ASP A 24 -11.943 0.351 -11.474 1.00 0.00 N ATOM 316 CA ASP A 24 -10.686 -0.313 -11.152 1.00 0.00 C ATOM 317 C ASP A 24 -9.591 0.708 -10.861 1.00 0.00 C ATOM 318 O ASP A 24 -9.269 1.545 -11.705 1.00 0.00 O ATOM 319 CB ASP A 24 -10.257 -1.225 -12.303 1.00 0.00 C ATOM 320 CG ASP A 24 -9.884 -0.448 -13.550 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.713 0.365 -14.012 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.765 -0.652 -14.065 1.00 0.00 O ATOM 0 H ASP A 24 -11.860 1.099 -12.162 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.841 -0.917 -10.258 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.406 -1.828 -11.987 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.068 -1.915 -12.537 1.00 0.00 H new ATOM 327 N ILE A 25 -9.023 0.635 -9.662 1.00 0.00 N ATOM 328 CA ILE A 25 -7.965 1.553 -9.260 1.00 0.00 C ATOM 329 C ILE A 25 -6.687 0.799 -8.908 1.00 0.00 C ATOM 330 O ILE A 25 -6.728 -0.373 -8.530 1.00 0.00 O ATOM 331 CB ILE A 25 -8.391 2.410 -8.054 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.246 3.328 -7.623 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.826 1.520 -6.899 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.704 4.537 -6.836 1.00 0.00 C ATOM 0 H ILE A 25 -9.278 -0.051 -8.952 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.775 2.207 -10.111 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.238 3.030 -8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.541 2.757 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.707 3.664 -8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.124 2.140 -6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.669 0.904 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.997 0.877 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.840 5.143 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.386 5.131 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.217 4.210 -5.932 1.00 0.00 H new ATOM 346 N THR A 26 -5.552 1.478 -9.032 1.00 0.00 N ATOM 347 CA THR A 26 -4.261 0.874 -8.726 1.00 0.00 C ATOM 348 C THR A 26 -3.361 1.849 -7.977 1.00 0.00 C ATOM 349 O THR A 26 -3.337 3.043 -8.277 1.00 0.00 O ATOM 350 CB THR A 26 -3.542 0.409 -10.006 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.475 -0.218 -10.893 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.420 -0.563 -9.673 1.00 0.00 C ATOM 0 H THR A 26 -5.500 2.448 -9.343 1.00 0.00 H new ATOM 0 HA THR A 26 -4.459 0.008 -8.094 1.00 0.00 H new ATOM 0 HB THR A 26 -3.112 1.284 -10.492 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.010 -0.509 -11.705 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.927 -0.878 -10.592 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.696 -0.073 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.833 -1.435 -9.166 1.00 0.00 H new ATOM 360 N PHE A 27 -2.622 1.333 -7.001 1.00 0.00 N ATOM 361 CA PHE A 27 -1.719 2.160 -6.207 1.00 0.00 C ATOM 362 C PHE A 27 -0.263 1.812 -6.502 1.00 0.00 C ATOM 363 O PHE A 27 0.051 0.686 -6.890 1.00 0.00 O ATOM 364 CB PHE A 27 -2.006 1.979 -4.715 1.00 0.00 C ATOM 365 CG PHE A 27 -3.425 2.293 -4.336 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.802 3.590 -4.026 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.382 1.292 -4.289 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.107 3.882 -3.676 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.689 1.578 -3.940 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.052 2.875 -3.634 1.00 0.00 C ATOM 0 H PHE A 27 -2.630 0.347 -6.740 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.888 3.202 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.782 0.951 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.335 2.620 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.068 4.382 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.104 0.276 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.388 4.897 -3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.425 0.788 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.072 3.102 -3.362 1.00 0.00 H new ATOM 380 N ILE A 28 0.621 2.786 -6.315 1.00 0.00 N ATOM 381 CA ILE A 28 2.044 2.583 -6.560 1.00 0.00 C ATOM 382 C ILE A 28 2.845 2.686 -5.266 1.00 0.00 C ATOM 383 O ILE A 28 2.643 3.603 -4.471 1.00 0.00 O ATOM 384 CB ILE A 28 2.592 3.606 -7.573 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.904 3.433 -8.928 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.099 3.455 -7.715 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.035 2.038 -9.499 1.00 0.00 C ATOM 0 H ILE A 28 0.377 3.723 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 28 2.153 1.580 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 28 2.380 4.610 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.847 3.676 -8.823 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.327 4.147 -9.635 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.472 4.185 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.574 3.623 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.333 2.449 -8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.523 1.989 -10.460 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.089 1.799 -9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.587 1.320 -8.812 1.00 0.00 H new ATOM 399 N ALA A 29 3.756 1.740 -5.064 1.00 0.00 N ATOM 400 CA ALA A 29 4.590 1.726 -3.869 1.00 0.00 C ATOM 401 C ALA A 29 5.989 1.208 -4.182 1.00 0.00 C ATOM 402 O ALA A 29 6.166 0.042 -4.537 1.00 0.00 O ATOM 403 CB ALA A 29 3.943 0.880 -2.782 1.00 0.00 C ATOM 0 H ALA A 29 3.935 0.973 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 29 4.682 2.751 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.577 0.879 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.968 1.296 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.820 -0.142 -3.141 1.00 0.00 H new ATOM 409 N LYS A 30 6.982 2.081 -4.050 1.00 0.00 N ATOM 410 CA LYS A 30 8.367 1.712 -4.318 1.00 0.00 C ATOM 411 C LYS A 30 9.162 1.602 -3.021 1.00 0.00 C ATOM 412 O LYS A 30 8.847 2.261 -2.030 1.00 0.00 O ATOM 413 CB LYS A 30 9.020 2.740 -5.244 1.00 0.00 C ATOM 414 CG LYS A 30 8.874 2.410 -6.719 1.00 0.00 C ATOM 415 CD LYS A 30 8.848 3.668 -7.572 1.00 0.00 C ATOM 416 CE LYS A 30 7.435 4.209 -7.725 1.00 0.00 C ATOM 417 NZ LYS A 30 7.373 5.330 -8.703 1.00 0.00 N ATOM 0 H LYS A 30 6.853 3.050 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 30 8.369 0.738 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.580 3.719 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.080 2.815 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.700 1.773 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.956 1.843 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.483 4.429 -7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.264 3.450 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.772 3.407 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.070 4.551 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.393 5.671 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.986 6.106 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.697 4.997 -9.634 1.00 0.00 H new ATOM 431 N VAL A 31 10.196 0.766 -3.035 1.00 0.00 N ATOM 432 CA VAL A 31 11.037 0.572 -1.860 1.00 0.00 C ATOM 433 C VAL A 31 12.508 0.466 -2.249 1.00 0.00 C ATOM 434 O VAL A 31 12.865 -0.262 -3.176 1.00 0.00 O ATOM 435 CB VAL A 31 10.631 -0.692 -1.081 1.00 0.00 C ATOM 436 CG1 VAL A 31 10.725 -1.922 -1.971 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.498 -0.855 0.159 1.00 0.00 C ATOM 0 H VAL A 31 10.471 0.213 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 31 10.895 1.444 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 31 9.595 -0.583 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.434 -2.805 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.059 -1.805 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.750 -2.039 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.197 -1.754 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.543 -0.942 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.375 0.014 0.806 1.00 0.00 H new ATOM 447 N LYS A 32 13.357 1.197 -1.535 1.00 0.00 N ATOM 448 CA LYS A 32 14.790 1.184 -1.804 1.00 0.00 C ATOM 449 C LYS A 32 15.433 -0.093 -1.271 1.00 0.00 C ATOM 450 O LYS A 32 15.392 -0.366 -0.072 1.00 0.00 O ATOM 451 CB LYS A 32 15.459 2.406 -1.170 1.00 0.00 C ATOM 452 CG LYS A 32 16.824 2.724 -1.755 1.00 0.00 C ATOM 453 CD LYS A 32 16.706 3.474 -3.072 1.00 0.00 C ATOM 454 CE LYS A 32 17.877 3.171 -3.993 1.00 0.00 C ATOM 455 NZ LYS A 32 19.011 4.112 -3.777 1.00 0.00 N ATOM 0 H LYS A 32 13.078 1.806 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 32 14.932 1.218 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.809 3.272 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.563 2.238 -0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.395 3.322 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.379 1.799 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.773 3.200 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.662 4.546 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.216 2.149 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.548 3.231 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.789 3.872 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.695 5.085 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.342 4.037 -2.794 1.00 0.00 H new ATOM 469 N ALA A 33 16.026 -0.871 -2.170 1.00 0.00 N ATOM 470 CA ALA A 33 16.680 -2.117 -1.790 1.00 0.00 C ATOM 471 C ALA A 33 18.167 -2.081 -2.125 1.00 0.00 C ATOM 472 O ALA A 33 18.577 -1.453 -3.101 1.00 0.00 O ATOM 473 CB ALA A 33 16.010 -3.296 -2.479 1.00 0.00 C ATOM 0 H ALA A 33 16.067 -0.660 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 33 16.580 -2.236 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.509 -4.220 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.961 -3.341 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.079 -3.173 -3.560 1.00 0.00 H new ATOM 479 N GLU A 34 18.970 -2.757 -1.309 1.00 0.00 N ATOM 480 CA GLU A 34 20.412 -2.800 -1.519 1.00 0.00 C ATOM 481 C GLU A 34 20.915 -4.241 -1.548 1.00 0.00 C ATOM 482 O GLU A 34 21.943 -4.563 -0.953 1.00 0.00 O ATOM 483 CB GLU A 34 21.134 -2.019 -0.420 1.00 0.00 C ATOM 484 CG GLU A 34 20.585 -0.618 -0.208 1.00 0.00 C ATOM 485 CD GLU A 34 21.238 0.094 0.961 1.00 0.00 C ATOM 486 OE1 GLU A 34 22.444 0.402 0.868 1.00 0.00 O ATOM 487 OE2 GLU A 34 20.543 0.343 1.968 1.00 0.00 O ATOM 0 H GLU A 34 18.646 -3.282 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 34 20.626 -2.339 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.062 -2.574 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.193 -1.951 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.735 -0.032 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.510 -0.675 -0.039 1.00 0.00 H new ATOM 494 N ASP A 35 20.182 -5.103 -2.244 1.00 0.00 N ATOM 495 CA ASP A 35 20.552 -6.509 -2.352 1.00 0.00 C ATOM 496 C ASP A 35 19.696 -7.218 -3.397 1.00 0.00 C ATOM 497 O ASP A 35 18.619 -6.742 -3.759 1.00 0.00 O ATOM 498 CB ASP A 35 20.405 -7.203 -0.997 1.00 0.00 C ATOM 499 CG ASP A 35 21.252 -8.456 -0.893 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.265 -8.549 -1.617 1.00 0.00 O ATOM 501 OD2 ASP A 35 20.901 -9.344 -0.088 1.00 0.00 O ATOM 0 H ASP A 35 19.328 -4.852 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 35 21.594 -6.562 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.688 -6.510 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 35 19.358 -7.461 -0.836 1.00 0.00 H new ATOM 506 N LEU A 36 20.181 -8.358 -3.877 1.00 0.00 N ATOM 507 CA LEU A 36 19.461 -9.133 -4.882 1.00 0.00 C ATOM 508 C LEU A 36 19.056 -10.496 -4.330 1.00 0.00 C ATOM 509 O LEU A 36 18.050 -11.072 -4.747 1.00 0.00 O ATOM 510 CB LEU A 36 20.324 -9.311 -6.132 1.00 0.00 C ATOM 511 CG LEU A 36 21.146 -8.095 -6.560 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.752 -8.318 -7.936 1.00 0.00 C ATOM 513 CD2 LEU A 36 20.286 -6.840 -6.550 1.00 0.00 C ATOM 0 H LEU A 36 21.070 -8.766 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 36 18.556 -8.586 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 36 21.006 -10.144 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.674 -9.595 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 36 21.959 -7.960 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.333 -7.442 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.402 -9.193 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.956 -8.480 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.887 -5.984 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.452 -6.965 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.901 -6.671 -5.544 1.00 0.00 H new ATOM 525 N LEU A 37 19.844 -11.006 -3.390 1.00 0.00 N ATOM 526 CA LEU A 37 19.567 -12.301 -2.779 1.00 0.00 C ATOM 527 C LEU A 37 18.342 -12.224 -1.873 1.00 0.00 C ATOM 528 O LEU A 37 17.643 -13.218 -1.672 1.00 0.00 O ATOM 529 CB LEU A 37 20.779 -12.778 -1.977 1.00 0.00 C ATOM 530 CG LEU A 37 22.011 -13.169 -2.793 1.00 0.00 C ATOM 531 CD1 LEU A 37 22.277 -12.143 -3.883 1.00 0.00 C ATOM 532 CD2 LEU A 37 23.226 -13.316 -1.888 1.00 0.00 C ATOM 0 H LEU A 37 20.680 -10.542 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 37 19.363 -13.015 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.064 -11.988 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.478 -13.637 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 37 21.818 -14.131 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.158 -12.438 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.415 -12.087 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.449 -11.167 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.094 -13.595 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 37 23.421 -12.369 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.034 -14.090 -1.144 1.00 0.00 H new ATOM 544 N ARG A 38 18.086 -11.038 -1.331 1.00 0.00 N ATOM 545 CA ARG A 38 16.945 -10.832 -0.447 1.00 0.00 C ATOM 546 C ARG A 38 15.893 -9.951 -1.115 1.00 0.00 C ATOM 547 O ARG A 38 16.220 -8.958 -1.765 1.00 0.00 O ATOM 548 CB ARG A 38 17.399 -10.195 0.867 1.00 0.00 C ATOM 549 CG ARG A 38 18.709 -10.756 1.395 1.00 0.00 C ATOM 550 CD ARG A 38 18.489 -12.032 2.192 1.00 0.00 C ATOM 551 NE ARG A 38 19.716 -12.813 2.326 1.00 0.00 N ATOM 552 CZ ARG A 38 19.925 -13.692 3.299 1.00 0.00 C ATOM 553 NH1 ARG A 38 18.993 -13.903 4.218 1.00 0.00 N ATOM 554 NH2 ARG A 38 21.068 -14.364 3.353 1.00 0.00 N ATOM 0 H ARG A 38 18.653 -10.205 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 38 16.500 -11.804 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.506 -9.120 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.623 -10.339 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.382 -10.958 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.197 -10.012 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.110 -11.780 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.726 -12.637 1.703 1.00 0.00 H new ATOM 0 HE ARG A 38 20.453 -12.676 1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.113 -13.389 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.156 -14.579 4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.787 -14.205 2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 38 21.228 -15.039 4.101 1.00 0.00 H new ATOM 568 N LYS A 39 14.627 -10.322 -0.951 1.00 0.00 N ATOM 569 CA LYS A 39 13.526 -9.567 -1.536 1.00 0.00 C ATOM 570 C LYS A 39 12.498 -9.191 -0.473 1.00 0.00 C ATOM 571 O LYS A 39 12.002 -10.037 0.271 1.00 0.00 O ATOM 572 CB LYS A 39 12.855 -10.381 -2.645 1.00 0.00 C ATOM 573 CG LYS A 39 11.500 -9.836 -3.064 1.00 0.00 C ATOM 574 CD LYS A 39 10.744 -10.829 -3.930 1.00 0.00 C ATOM 575 CE LYS A 39 11.340 -10.918 -5.327 1.00 0.00 C ATOM 576 NZ LYS A 39 10.576 -11.854 -6.197 1.00 0.00 N ATOM 0 H LYS A 39 14.339 -11.142 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 39 13.933 -8.650 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.512 -10.406 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.735 -11.410 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.911 -9.602 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.635 -8.903 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.766 -11.813 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.698 -10.531 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.351 -9.927 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.376 -11.249 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.013 -11.887 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.587 -12.805 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.593 -11.525 -6.283 1.00 0.00 H new ATOM 590 N PRO A 40 12.169 -7.893 -0.400 1.00 0.00 N ATOM 591 CA PRO A 40 11.196 -7.377 0.567 1.00 0.00 C ATOM 592 C PRO A 40 9.772 -7.821 0.250 1.00 0.00 C ATOM 593 O PRO A 40 9.482 -8.269 -0.860 1.00 0.00 O ATOM 594 CB PRO A 40 11.327 -5.858 0.426 1.00 0.00 C ATOM 595 CG PRO A 40 11.838 -5.650 -0.958 1.00 0.00 C ATOM 596 CD PRO A 40 12.721 -6.829 -1.255 1.00 0.00 C ATOM 0 HA PRO A 40 11.390 -7.743 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.367 -5.362 0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.013 -5.449 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.017 -5.588 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.396 -4.716 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.685 -7.102 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.764 -6.621 -1.015 1.00 0.00 H new ATOM 604 N THR A 41 8.885 -7.694 1.232 1.00 0.00 N ATOM 605 CA THR A 41 7.491 -8.083 1.058 1.00 0.00 C ATOM 606 C THR A 41 6.550 -6.995 1.562 1.00 0.00 C ATOM 607 O THR A 41 6.786 -6.393 2.610 1.00 0.00 O ATOM 608 CB THR A 41 7.178 -9.398 1.795 1.00 0.00 C ATOM 609 OG1 THR A 41 8.016 -10.449 1.299 1.00 0.00 O ATOM 610 CG2 THR A 41 5.717 -9.783 1.620 1.00 0.00 C ATOM 0 H THR A 41 9.107 -7.325 2.156 1.00 0.00 H new ATOM 0 HA THR A 41 7.335 -8.229 -0.011 1.00 0.00 H new ATOM 0 HB THR A 41 7.373 -9.248 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.812 -11.282 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.520 -10.715 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.082 -8.995 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.500 -9.915 0.560 1.00 0.00 H new ATOM 618 N ILE A 42 5.482 -6.748 0.810 1.00 0.00 N ATOM 619 CA ILE A 42 4.504 -5.734 1.183 1.00 0.00 C ATOM 620 C ILE A 42 3.139 -6.358 1.451 1.00 0.00 C ATOM 621 O ILE A 42 2.634 -7.142 0.647 1.00 0.00 O ATOM 622 CB ILE A 42 4.360 -4.661 0.087 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.379 -3.574 0.532 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.899 -5.296 -1.217 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.521 -2.280 -0.238 1.00 0.00 C ATOM 0 H ILE A 42 5.273 -7.236 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 42 4.870 -5.263 2.095 1.00 0.00 H new ATOM 0 HB ILE A 42 5.333 -4.199 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.361 -3.946 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.528 -3.374 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.802 -4.526 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.630 -6.037 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.934 -5.780 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.795 -1.556 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.528 -1.885 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.343 -2.465 -1.297 1.00 0.00 H new ATOM 637 N LYS A 43 2.544 -6.003 2.585 1.00 0.00 N ATOM 638 CA LYS A 43 1.235 -6.526 2.959 1.00 0.00 C ATOM 639 C LYS A 43 0.204 -5.404 3.036 1.00 0.00 C ATOM 640 O LYS A 43 0.344 -4.472 3.827 1.00 0.00 O ATOM 641 CB LYS A 43 1.318 -7.250 4.304 1.00 0.00 C ATOM 642 CG LYS A 43 0.065 -8.036 4.650 1.00 0.00 C ATOM 643 CD LYS A 43 0.144 -9.465 4.139 1.00 0.00 C ATOM 644 CE LYS A 43 0.834 -10.378 5.142 1.00 0.00 C ATOM 645 NZ LYS A 43 0.108 -10.422 6.441 1.00 0.00 N ATOM 0 H LYS A 43 2.948 -5.355 3.261 1.00 0.00 H new ATOM 0 HA LYS A 43 0.920 -7.233 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.170 -7.929 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.507 -6.519 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.075 -8.042 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.806 -7.542 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.861 -9.837 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.686 -9.485 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.903 -11.385 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.854 -10.031 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.294 -11.330 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.435 -9.643 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.913 -10.323 6.271 1.00 0.00 H new ATOM 659 N TRP A 44 -0.832 -5.502 2.210 1.00 0.00 N ATOM 660 CA TRP A 44 -1.888 -4.496 2.186 1.00 0.00 C ATOM 661 C TRP A 44 -2.996 -4.847 3.173 1.00 0.00 C ATOM 662 O TRP A 44 -3.515 -5.963 3.167 1.00 0.00 O ATOM 663 CB TRP A 44 -2.466 -4.368 0.776 1.00 0.00 C ATOM 664 CG TRP A 44 -1.420 -4.165 -0.279 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.571 -5.108 -0.783 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.111 -2.941 -0.955 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.246 -4.545 -1.733 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.065 -3.217 -1.858 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.618 -1.641 -0.888 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.482 -2.238 -2.684 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -1.074 -0.671 -1.709 1.00 0.00 C ATOM 672 CH2 TRP A 44 -0.034 -0.974 -2.597 1.00 0.00 C ATOM 0 H TRP A 44 -0.963 -6.267 1.549 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.453 -3.541 2.481 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.038 -5.266 0.543 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.164 -3.531 0.752 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.546 -6.144 -0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.968 -5.037 -2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.420 -1.398 -0.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.285 -2.468 -3.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.457 0.338 -1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.369 -0.194 -3.226 1.00 0.00 H new ATOM 683 N PHE A 45 -3.354 -3.887 4.019 1.00 0.00 N ATOM 684 CA PHE A 45 -4.401 -4.095 5.013 1.00 0.00 C ATOM 685 C PHE A 45 -5.508 -3.055 4.863 1.00 0.00 C ATOM 686 O PHE A 45 -5.288 -1.970 4.324 1.00 0.00 O ATOM 687 CB PHE A 45 -3.814 -4.031 6.424 1.00 0.00 C ATOM 688 CG PHE A 45 -3.048 -5.264 6.811 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.714 -6.413 7.209 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.663 -5.275 6.777 1.00 0.00 C ATOM 691 CE1 PHE A 45 -3.013 -7.549 7.566 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.957 -6.409 7.132 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.632 -7.547 7.528 1.00 0.00 C ATOM 0 H PHE A 45 -2.935 -2.957 4.036 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.831 -5.083 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.155 -3.166 6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.622 -3.876 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.794 -6.420 7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.129 -4.388 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.544 -8.437 7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.123 -6.405 7.100 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.082 -8.433 7.807 1.00 0.00 H new ATOM 703 N LYS A 46 -6.699 -3.395 5.343 1.00 0.00 N ATOM 704 CA LYS A 46 -7.842 -2.492 5.265 1.00 0.00 C ATOM 705 C LYS A 46 -8.585 -2.439 6.596 1.00 0.00 C ATOM 706 O LYS A 46 -8.697 -3.444 7.296 1.00 0.00 O ATOM 707 CB LYS A 46 -8.795 -2.939 4.154 1.00 0.00 C ATOM 708 CG LYS A 46 -10.093 -2.152 4.114 1.00 0.00 C ATOM 709 CD LYS A 46 -9.845 -0.681 3.822 1.00 0.00 C ATOM 710 CE LYS A 46 -11.085 0.157 4.092 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.495 0.096 5.522 1.00 0.00 N ATOM 0 H LYS A 46 -6.898 -4.290 5.790 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.470 -1.493 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.291 -2.841 3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.025 -3.996 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.749 -2.570 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.610 -2.252 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.020 -0.321 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.543 -0.561 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.891 1.193 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.904 -0.194 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.372 0.638 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.656 -0.895 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.744 0.501 6.116 1.00 0.00 H new ATOM 725 N GLY A 47 -9.093 -1.258 6.938 1.00 0.00 N ATOM 726 CA GLY A 47 -9.820 -1.096 8.183 1.00 0.00 C ATOM 727 C GLY A 47 -8.942 -1.309 9.400 1.00 0.00 C ATOM 728 O GLY A 47 -7.864 -0.723 9.507 1.00 0.00 O ATOM 0 H GLY A 47 -9.014 -0.411 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.251 -0.096 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.650 -1.802 8.210 1.00 0.00 H new ATOM 732 N LYS A 48 -9.402 -2.148 10.321 1.00 0.00 N ATOM 733 CA LYS A 48 -8.652 -2.437 11.537 1.00 0.00 C ATOM 734 C LYS A 48 -7.984 -3.806 11.453 1.00 0.00 C ATOM 735 O LYS A 48 -6.773 -3.928 11.635 1.00 0.00 O ATOM 736 CB LYS A 48 -9.576 -2.383 12.756 1.00 0.00 C ATOM 737 CG LYS A 48 -8.881 -2.731 14.061 1.00 0.00 C ATOM 738 CD LYS A 48 -9.611 -2.141 15.256 1.00 0.00 C ATOM 739 CE LYS A 48 -9.156 -0.717 15.540 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.241 0.102 16.146 1.00 0.00 N ATOM 0 H LYS A 48 -10.292 -2.641 10.248 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.876 -1.679 11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.001 -1.382 12.836 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.408 -3.071 12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.825 -3.814 14.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.857 -2.359 14.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.685 -2.150 15.069 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.435 -2.762 16.134 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.298 -0.737 16.212 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.824 -0.250 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.891 1.065 16.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.050 0.143 15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.541 -0.329 17.044 1.00 0.00 H new ATOM 754 N TRP A 49 -8.781 -4.831 11.174 1.00 0.00 N ATOM 755 CA TRP A 49 -8.265 -6.191 11.063 1.00 0.00 C ATOM 756 C TRP A 49 -8.376 -6.700 9.630 1.00 0.00 C ATOM 757 O TRP A 49 -7.535 -7.472 9.170 1.00 0.00 O ATOM 758 CB TRP A 49 -9.024 -7.124 12.009 1.00 0.00 C ATOM 759 CG TRP A 49 -9.358 -6.491 13.326 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.451 -5.725 13.613 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.591 -6.569 14.533 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.410 -5.322 14.926 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.280 -5.827 15.512 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.392 -7.195 14.882 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -8.807 -5.695 16.815 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -6.923 -7.063 16.176 1.00 0.00 C ATOM 767 CH2 TRP A 49 -7.630 -6.318 17.129 1.00 0.00 C ATOM 0 H TRP A 49 -9.786 -4.747 11.021 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.212 -6.178 11.343 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.946 -7.448 11.526 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.425 -8.017 12.185 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.233 -5.473 12.912 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.108 -4.741 15.389 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.841 -7.772 14.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.350 -5.121 17.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.997 -7.542 16.457 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.238 -6.234 18.132 1.00 0.00 H new ATOM 778 N MET A 50 -9.417 -6.263 8.930 1.00 0.00 N ATOM 779 CA MET A 50 -9.635 -6.675 7.548 1.00 0.00 C ATOM 780 C MET A 50 -8.328 -6.654 6.762 1.00 0.00 C ATOM 781 O MET A 50 -7.689 -5.610 6.631 1.00 0.00 O ATOM 782 CB MET A 50 -10.662 -5.761 6.877 1.00 0.00 C ATOM 783 CG MET A 50 -11.415 -6.426 5.736 1.00 0.00 C ATOM 784 SD MET A 50 -12.117 -5.235 4.579 1.00 0.00 S ATOM 785 CE MET A 50 -11.048 -5.470 3.161 1.00 0.00 C ATOM 0 H MET A 50 -10.123 -5.624 9.296 1.00 0.00 H new ATOM 0 HA MET A 50 -10.018 -7.696 7.555 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.378 -5.422 7.625 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.154 -4.874 6.498 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.739 -7.093 5.200 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.214 -7.044 6.145 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.982 -4.540 2.597 1.00 0.00 H new ATOM 0 HE2 MET A 50 -10.053 -5.760 3.499 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.457 -6.253 2.523 1.00 0.00 H new ATOM 795 N ASP A 51 -7.938 -7.812 6.241 1.00 0.00 N ATOM 796 CA ASP A 51 -6.707 -7.925 5.467 1.00 0.00 C ATOM 797 C ASP A 51 -7.013 -8.175 3.994 1.00 0.00 C ATOM 798 O ASP A 51 -7.788 -9.070 3.652 1.00 0.00 O ATOM 799 CB ASP A 51 -5.835 -9.055 6.018 1.00 0.00 C ATOM 800 CG ASP A 51 -4.656 -9.368 5.119 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.756 -8.510 5.000 1.00 0.00 O ATOM 802 OD2 ASP A 51 -4.633 -10.471 4.534 1.00 0.00 O ATOM 0 H ASP A 51 -8.456 -8.685 6.340 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.165 -6.983 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.470 -8.779 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.442 -9.952 6.141 1.00 0.00 H new ATOM 807 N LEU A 52 -6.401 -7.379 3.125 1.00 0.00 N ATOM 808 CA LEU A 52 -6.608 -7.512 1.687 1.00 0.00 C ATOM 809 C LEU A 52 -5.807 -8.684 1.128 1.00 0.00 C ATOM 810 O LEU A 52 -6.234 -9.344 0.180 1.00 0.00 O ATOM 811 CB LEU A 52 -6.209 -6.220 0.972 1.00 0.00 C ATOM 812 CG LEU A 52 -6.704 -4.921 1.608 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.091 -3.717 0.910 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.223 -4.850 1.564 1.00 0.00 C ATOM 0 H LEU A 52 -5.757 -6.634 3.391 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.667 -7.703 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.121 -6.181 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.581 -6.265 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.390 -4.908 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.455 -2.802 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.005 -3.761 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.373 -3.724 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.557 -3.919 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.559 -4.887 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.643 -5.694 2.112 1.00 0.00 H new ATOM 826 N ALA A 53 -4.646 -8.938 1.722 1.00 0.00 N ATOM 827 CA ALA A 53 -3.788 -10.033 1.286 1.00 0.00 C ATOM 828 C ALA A 53 -4.599 -11.300 1.037 1.00 0.00 C ATOM 829 O ALA A 53 -4.275 -12.091 0.151 1.00 0.00 O ATOM 830 CB ALA A 53 -2.701 -10.294 2.318 1.00 0.00 C ATOM 0 H ALA A 53 -4.278 -8.400 2.507 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.319 -9.743 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.068 -11.114 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.096 -9.396 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.160 -10.559 3.271 1.00 0.00 H new ATOM 836 N SER A 54 -5.653 -11.487 1.824 1.00 0.00 N ATOM 837 CA SER A 54 -6.508 -12.661 1.691 1.00 0.00 C ATOM 838 C SER A 54 -7.671 -12.381 0.744 1.00 0.00 C ATOM 839 O SER A 54 -8.280 -13.303 0.200 1.00 0.00 O ATOM 840 CB SER A 54 -7.041 -13.088 3.060 1.00 0.00 C ATOM 841 OG SER A 54 -7.933 -14.182 2.941 1.00 0.00 O ATOM 0 H SER A 54 -5.936 -10.841 2.561 1.00 0.00 H new ATOM 0 HA SER A 54 -5.909 -13.471 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.209 -13.362 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.551 -12.249 3.533 1.00 0.00 H new ATOM 0 HG SER A 54 -8.258 -14.437 3.830 1.00 0.00 H new ATOM 847 N LYS A 55 -7.975 -11.102 0.551 1.00 0.00 N ATOM 848 CA LYS A 55 -9.064 -10.698 -0.330 1.00 0.00 C ATOM 849 C LYS A 55 -8.642 -10.790 -1.793 1.00 0.00 C ATOM 850 O LYS A 55 -9.477 -10.966 -2.680 1.00 0.00 O ATOM 851 CB LYS A 55 -9.507 -9.270 -0.005 1.00 0.00 C ATOM 852 CG LYS A 55 -10.082 -9.115 1.392 1.00 0.00 C ATOM 853 CD LYS A 55 -11.426 -9.810 1.523 1.00 0.00 C ATOM 854 CE LYS A 55 -12.139 -9.409 2.806 1.00 0.00 C ATOM 855 NZ LYS A 55 -13.443 -10.111 2.958 1.00 0.00 N ATOM 0 H LYS A 55 -7.482 -10.327 0.994 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.901 -11.377 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.654 -8.600 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.254 -8.956 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.385 -9.529 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.195 -8.056 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.051 -9.561 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.281 -10.890 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.503 -9.636 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.304 -8.332 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.898 -9.811 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.060 -9.875 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.283 -11.138 2.982 1.00 0.00 H new ATOM 869 N ALA A 56 -7.341 -10.671 -2.038 1.00 0.00 N ATOM 870 CA ALA A 56 -6.809 -10.745 -3.393 1.00 0.00 C ATOM 871 C ALA A 56 -7.220 -12.046 -4.075 1.00 0.00 C ATOM 872 O ALA A 56 -6.743 -13.122 -3.717 1.00 0.00 O ATOM 873 CB ALA A 56 -5.293 -10.613 -3.373 1.00 0.00 C ATOM 0 H ALA A 56 -6.636 -10.523 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.227 -9.918 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.909 -10.670 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.017 -9.654 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.865 -11.420 -2.778 1.00 0.00 H new ATOM 879 N GLY A 57 -8.108 -11.939 -5.058 1.00 0.00 N ATOM 880 CA GLY A 57 -8.568 -13.115 -5.773 1.00 0.00 C ATOM 881 C GLY A 57 -9.214 -12.770 -7.101 1.00 0.00 C ATOM 882 O GLY A 57 -8.645 -13.028 -8.162 1.00 0.00 O ATOM 0 H GLY A 57 -8.517 -11.059 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.725 -13.784 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.284 -13.656 -5.154 1.00 0.00 H new ATOM 886 N LYS A 58 -10.406 -12.186 -7.043 1.00 0.00 N ATOM 887 CA LYS A 58 -11.131 -11.806 -8.250 1.00 0.00 C ATOM 888 C LYS A 58 -11.415 -10.307 -8.264 1.00 0.00 C ATOM 889 O LYS A 58 -11.099 -9.615 -9.232 1.00 0.00 O ATOM 890 CB LYS A 58 -12.445 -12.585 -8.347 1.00 0.00 C ATOM 891 CG LYS A 58 -12.893 -12.845 -9.775 1.00 0.00 C ATOM 892 CD LYS A 58 -14.405 -12.968 -9.871 1.00 0.00 C ATOM 893 CE LYS A 58 -14.889 -14.310 -9.346 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.187 -14.710 -9.957 1.00 0.00 N ATOM 0 H LYS A 58 -10.891 -11.965 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.507 -12.049 -9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.331 -13.539 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.225 -12.031 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.551 -12.034 -10.418 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.428 -13.760 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.873 -12.164 -9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.716 -12.849 -10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.139 -15.073 -9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.998 -14.258 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.483 -15.630 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.909 -13.995 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.077 -14.785 -10.988 1.00 0.00 H new ATOM 908 N HIS A 59 -12.011 -9.812 -7.185 1.00 0.00 N ATOM 909 CA HIS A 59 -12.336 -8.394 -7.073 1.00 0.00 C ATOM 910 C HIS A 59 -11.093 -7.578 -6.730 1.00 0.00 C ATOM 911 O HIS A 59 -11.099 -6.350 -6.823 1.00 0.00 O ATOM 912 CB HIS A 59 -13.412 -8.178 -6.009 1.00 0.00 C ATOM 913 CG HIS A 59 -14.809 -8.283 -6.539 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.644 -7.196 -6.681 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.515 -9.357 -6.965 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.805 -7.595 -7.169 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.752 -8.902 -7.351 1.00 0.00 N ATOM 0 H HIS A 59 -12.279 -10.371 -6.375 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.717 -8.056 -8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.278 -8.912 -5.214 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.275 -7.194 -5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.170 -10.380 -6.996 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.653 -6.961 -7.383 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.508 -9.480 -7.719 1.00 0.00 H new ATOM 926 N LEU A 60 -10.029 -8.268 -6.332 1.00 0.00 N ATOM 927 CA LEU A 60 -8.779 -7.608 -5.975 1.00 0.00 C ATOM 928 C LEU A 60 -7.579 -8.417 -6.456 1.00 0.00 C ATOM 929 O LEU A 60 -7.601 -9.647 -6.438 1.00 0.00 O ATOM 930 CB LEU A 60 -8.700 -7.408 -4.460 1.00 0.00 C ATOM 931 CG LEU A 60 -7.351 -6.938 -3.914 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.303 -5.420 -3.844 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.089 -7.546 -2.544 1.00 0.00 C ATOM 0 H LEU A 60 -10.008 -9.284 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.757 -6.635 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.460 -6.682 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.957 -8.350 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.568 -7.274 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.336 -5.104 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.444 -5.005 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.095 -5.061 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.125 -7.201 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.876 -7.241 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.079 -8.633 -2.624 1.00 0.00 H new ATOM 945 N GLN A 61 -6.532 -7.717 -6.882 1.00 0.00 N ATOM 946 CA GLN A 61 -5.322 -8.371 -7.366 1.00 0.00 C ATOM 947 C GLN A 61 -4.090 -7.521 -7.074 1.00 0.00 C ATOM 948 O GLN A 61 -4.013 -6.360 -7.479 1.00 0.00 O ATOM 949 CB GLN A 61 -5.428 -8.638 -8.868 1.00 0.00 C ATOM 950 CG GLN A 61 -6.570 -9.569 -9.242 1.00 0.00 C ATOM 951 CD GLN A 61 -6.201 -11.032 -9.098 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.826 -11.688 -10.070 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.306 -11.552 -7.880 1.00 0.00 N ATOM 0 H GLN A 61 -6.498 -6.698 -6.902 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.218 -9.321 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.558 -7.689 -9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.490 -9.068 -9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.432 -9.352 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.871 -9.374 -10.271 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.621 -10.971 -7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.071 -12.532 -7.722 1.00 0.00 H new ATOM 962 N LEU A 62 -3.128 -8.105 -6.368 1.00 0.00 N ATOM 963 CA LEU A 62 -1.899 -7.402 -6.020 1.00 0.00 C ATOM 964 C LEU A 62 -0.835 -7.600 -7.096 1.00 0.00 C ATOM 965 O LEU A 62 -0.932 -8.510 -7.919 1.00 0.00 O ATOM 966 CB LEU A 62 -1.372 -7.890 -4.670 1.00 0.00 C ATOM 967 CG LEU A 62 -2.405 -8.003 -3.548 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.767 -8.576 -2.292 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.029 -6.646 -3.259 1.00 0.00 C ATOM 0 H LEU A 62 -3.176 -9.064 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.126 -6.338 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.913 -8.868 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.583 -7.212 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.194 -8.682 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.517 -8.649 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.368 -9.567 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.959 -7.923 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.762 -6.746 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.251 -5.945 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.522 -6.273 -4.157 1.00 0.00 H new ATOM 981 N LYS A 63 0.181 -6.744 -7.081 1.00 0.00 N ATOM 982 CA LYS A 63 1.265 -6.826 -8.052 1.00 0.00 C ATOM 983 C LYS A 63 2.600 -6.467 -7.409 1.00 0.00 C ATOM 984 O LYS A 63 2.660 -5.630 -6.509 1.00 0.00 O ATOM 985 CB LYS A 63 0.990 -5.895 -9.235 1.00 0.00 C ATOM 986 CG LYS A 63 1.425 -6.467 -10.574 1.00 0.00 C ATOM 987 CD LYS A 63 0.300 -7.240 -11.241 1.00 0.00 C ATOM 988 CE LYS A 63 0.454 -7.252 -12.755 1.00 0.00 C ATOM 989 NZ LYS A 63 -0.059 -5.998 -13.374 1.00 0.00 N ATOM 0 H LYS A 63 0.276 -5.985 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 63 1.320 -7.854 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.077 -5.675 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.505 -4.949 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.750 -5.658 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.283 -7.124 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.289 -8.264 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.658 -6.793 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.505 -7.380 -13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.082 -8.107 -13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.064 -6.045 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.069 -5.888 -13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.469 -5.184 -12.999 1.00 0.00 H new ATOM 1003 N GLU A 64 3.669 -7.104 -7.877 1.00 0.00 N ATOM 1004 CA GLU A 64 5.003 -6.849 -7.346 1.00 0.00 C ATOM 1005 C GLU A 64 6.068 -7.096 -8.411 1.00 0.00 C ATOM 1006 O GLU A 64 6.010 -8.080 -9.148 1.00 0.00 O ATOM 1007 CB GLU A 64 5.269 -7.736 -6.128 1.00 0.00 C ATOM 1008 CG GLU A 64 6.745 -7.916 -5.817 1.00 0.00 C ATOM 1009 CD GLU A 64 7.418 -8.917 -6.736 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.780 -9.936 -7.072 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.582 -8.680 -7.120 1.00 0.00 O ATOM 0 H GLU A 64 3.637 -7.800 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 64 5.052 -5.803 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.773 -7.303 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.820 -8.715 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.250 -6.954 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.857 -8.245 -4.784 1.00 0.00 H new ATOM 1018 N THR A 65 7.042 -6.194 -8.485 1.00 0.00 N ATOM 1019 CA THR A 65 8.120 -6.311 -9.460 1.00 0.00 C ATOM 1020 C THR A 65 9.431 -5.774 -8.897 1.00 0.00 C ATOM 1021 O THR A 65 9.434 -4.941 -7.990 1.00 0.00 O ATOM 1022 CB THR A 65 7.786 -5.557 -10.761 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.726 -5.903 -11.783 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.805 -4.053 -10.535 1.00 0.00 C ATOM 0 H THR A 65 7.107 -5.374 -7.881 1.00 0.00 H new ATOM 0 HA THR A 65 8.231 -7.372 -9.683 1.00 0.00 H new ATOM 0 HB THR A 65 6.784 -5.848 -11.076 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.505 -5.421 -12.607 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.566 -3.542 -11.468 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.067 -3.790 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.796 -3.748 -10.198 1.00 0.00 H new ATOM 1032 N PHE A 66 10.544 -6.255 -9.440 1.00 0.00 N ATOM 1033 CA PHE A 66 11.862 -5.823 -8.992 1.00 0.00 C ATOM 1034 C PHE A 66 12.663 -5.230 -10.148 1.00 0.00 C ATOM 1035 O PHE A 66 12.574 -5.699 -11.282 1.00 0.00 O ATOM 1036 CB PHE A 66 12.626 -6.998 -8.377 1.00 0.00 C ATOM 1037 CG PHE A 66 14.088 -6.721 -8.172 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.504 -5.753 -7.273 1.00 0.00 C ATOM 1039 CD2 PHE A 66 15.046 -7.430 -8.879 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.848 -5.496 -7.082 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.392 -7.178 -8.692 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.794 -6.209 -7.793 1.00 0.00 C ATOM 0 H PHE A 66 10.559 -6.945 -10.191 1.00 0.00 H new ATOM 0 HA PHE A 66 11.725 -5.051 -8.235 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.175 -7.252 -7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.517 -7.870 -9.022 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.769 -5.192 -6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.737 -8.188 -9.584 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.159 -4.739 -6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.129 -7.738 -9.248 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.845 -6.009 -7.646 1.00 0.00 H new ATOM 1052 N GLU A 67 13.444 -4.196 -9.850 1.00 0.00 N ATOM 1053 CA GLU A 67 14.259 -3.539 -10.865 1.00 0.00 C ATOM 1054 C GLU A 67 15.727 -3.511 -10.449 1.00 0.00 C ATOM 1055 O GLU A 67 16.164 -2.608 -9.736 1.00 0.00 O ATOM 1056 CB GLU A 67 13.759 -2.113 -11.107 1.00 0.00 C ATOM 1057 CG GLU A 67 12.628 -2.028 -12.118 1.00 0.00 C ATOM 1058 CD GLU A 67 12.578 -0.689 -12.826 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.907 0.231 -12.313 1.00 0.00 O ATOM 1060 OE2 GLU A 67 13.211 -0.560 -13.895 1.00 0.00 O ATOM 0 H GLU A 67 13.529 -3.796 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 67 14.172 -4.109 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.422 -1.690 -10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.591 -1.499 -11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.746 -2.821 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.679 -2.202 -11.611 1.00 0.00 H new ATOM 1067 N ARG A 68 16.482 -4.507 -10.900 1.00 0.00 N ATOM 1068 CA ARG A 68 17.901 -4.599 -10.575 1.00 0.00 C ATOM 1069 C ARG A 68 18.663 -3.397 -11.124 1.00 0.00 C ATOM 1070 O ARG A 68 19.699 -3.006 -10.585 1.00 0.00 O ATOM 1071 CB ARG A 68 18.492 -5.892 -11.137 1.00 0.00 C ATOM 1072 CG ARG A 68 17.852 -6.338 -12.441 1.00 0.00 C ATOM 1073 CD ARG A 68 16.696 -7.295 -12.196 1.00 0.00 C ATOM 1074 NE ARG A 68 15.668 -7.188 -13.227 1.00 0.00 N ATOM 1075 CZ ARG A 68 14.729 -8.106 -13.428 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.689 -9.194 -12.671 1.00 0.00 N ATOM 1077 NH2 ARG A 68 13.828 -7.937 -14.387 1.00 0.00 N ATOM 0 H ARG A 68 16.135 -5.262 -11.492 1.00 0.00 H new ATOM 0 HA ARG A 68 18.000 -4.605 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.561 -5.754 -11.296 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.379 -6.685 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.494 -5.466 -12.989 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.601 -6.823 -13.068 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.073 -8.317 -12.165 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.254 -7.088 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 68 15.671 -6.363 -13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.380 -9.327 -11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.967 -9.898 -12.827 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.856 -7.101 -14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.108 -8.643 -14.540 1.00 0.00 H new ATOM 1091 N HIS A 69 18.144 -2.815 -12.201 1.00 0.00 N ATOM 1092 CA HIS A 69 18.776 -1.657 -12.823 1.00 0.00 C ATOM 1093 C HIS A 69 19.093 -0.586 -11.784 1.00 0.00 C ATOM 1094 O HIS A 69 20.154 0.037 -11.823 1.00 0.00 O ATOM 1095 CB HIS A 69 17.869 -1.077 -13.909 1.00 0.00 C ATOM 1096 CG HIS A 69 17.238 -2.118 -14.782 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.021 -2.701 -14.498 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.662 -2.680 -15.938 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.724 -3.577 -15.441 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.704 -3.583 -16.327 1.00 0.00 N ATOM 0 H HIS A 69 17.288 -3.126 -12.661 1.00 0.00 H new ATOM 0 HA HIS A 69 19.711 -1.985 -13.277 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.084 -0.486 -13.438 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.450 -0.397 -14.531 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.583 -2.459 -16.458 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.832 -4.185 -15.481 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.743 -4.164 -17.164 1.00 0.00 H new ATOM 1109 N SER A 70 18.165 -0.377 -10.855 1.00 0.00 N ATOM 1110 CA SER A 70 18.344 0.622 -9.808 1.00 0.00 C ATOM 1111 C SER A 70 18.220 -0.012 -8.425 1.00 0.00 C ATOM 1112 O SER A 70 18.292 0.675 -7.407 1.00 0.00 O ATOM 1113 CB SER A 70 17.314 1.743 -9.961 1.00 0.00 C ATOM 1114 OG SER A 70 17.587 2.533 -11.106 1.00 0.00 O ATOM 0 H SER A 70 17.282 -0.886 -10.806 1.00 0.00 H new ATOM 0 HA SER A 70 19.345 1.042 -9.908 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.315 1.315 -10.040 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.321 2.372 -9.071 1.00 0.00 H new ATOM 0 HG SER A 70 16.914 3.241 -11.183 1.00 0.00 H new ATOM 1120 N ARG A 71 18.033 -1.328 -8.400 1.00 0.00 N ATOM 1121 CA ARG A 71 17.897 -2.056 -7.144 1.00 0.00 C ATOM 1122 C ARG A 71 16.711 -1.534 -6.338 1.00 0.00 C ATOM 1123 O ARG A 71 16.850 -1.178 -5.168 1.00 0.00 O ATOM 1124 CB ARG A 71 19.180 -1.935 -6.319 1.00 0.00 C ATOM 1125 CG ARG A 71 20.376 -2.632 -6.948 1.00 0.00 C ATOM 1126 CD ARG A 71 21.352 -3.126 -5.891 1.00 0.00 C ATOM 1127 NE ARG A 71 22.726 -3.154 -6.385 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.391 -2.070 -6.769 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.812 -0.879 -6.716 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.639 -2.177 -7.208 1.00 0.00 N ATOM 0 H ARG A 71 17.972 -1.911 -9.235 1.00 0.00 H new ATOM 0 HA ARG A 71 17.721 -3.106 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.416 -0.880 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.006 -2.354 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.033 -3.474 -7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.886 -1.944 -7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.295 -2.480 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.062 -4.126 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 71 23.201 -4.055 -6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.853 -0.793 -6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.325 -0.049 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.088 -3.092 -7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.149 -1.344 -7.503 1.00 0.00 H new ATOM 1144 N VAL A 72 15.544 -1.491 -6.973 1.00 0.00 N ATOM 1145 CA VAL A 72 14.333 -1.013 -6.316 1.00 0.00 C ATOM 1146 C VAL A 72 13.123 -1.846 -6.722 1.00 0.00 C ATOM 1147 O VAL A 72 12.978 -2.224 -7.885 1.00 0.00 O ATOM 1148 CB VAL A 72 14.060 0.466 -6.649 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.735 0.912 -6.051 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.200 1.342 -6.152 1.00 0.00 C ATOM 0 H VAL A 72 15.412 -1.781 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 72 14.495 -1.112 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 72 13.996 0.571 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.559 1.959 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.928 0.303 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.766 0.794 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.991 2.384 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.297 1.234 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.130 1.037 -6.632 1.00 0.00 H new ATOM 1160 N TYR A 73 12.255 -2.128 -5.757 1.00 0.00 N ATOM 1161 CA TYR A 73 11.057 -2.919 -6.013 1.00 0.00 C ATOM 1162 C TYR A 73 9.830 -2.021 -6.144 1.00 0.00 C ATOM 1163 O TYR A 73 9.724 -0.992 -5.477 1.00 0.00 O ATOM 1164 CB TYR A 73 10.841 -3.935 -4.890 1.00 0.00 C ATOM 1165 CG TYR A 73 11.950 -4.956 -4.776 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.215 -4.590 -4.334 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.733 -6.287 -5.111 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.232 -5.520 -4.229 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.743 -7.224 -5.008 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.991 -6.835 -4.567 1.00 0.00 C ATOM 1171 OH TYR A 73 15.000 -7.764 -4.462 1.00 0.00 O ATOM 0 H TYR A 73 12.359 -1.821 -4.790 1.00 0.00 H new ATOM 0 HA TYR A 73 11.198 -3.452 -6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.749 -3.403 -3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.897 -4.453 -5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.407 -3.561 -4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.758 -6.594 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.210 -5.218 -3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.557 -8.255 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 73 15.231 -7.891 -3.518 1.00 0.00 H new ATOM 1181 N THR A 74 8.904 -2.419 -7.011 1.00 0.00 N ATOM 1182 CA THR A 74 7.684 -1.652 -7.232 1.00 0.00 C ATOM 1183 C THR A 74 6.446 -2.518 -7.030 1.00 0.00 C ATOM 1184 O THR A 74 6.146 -3.390 -7.846 1.00 0.00 O ATOM 1185 CB THR A 74 7.649 -1.049 -8.649 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.768 -0.175 -8.838 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.356 -0.281 -8.878 1.00 0.00 C ATOM 0 H THR A 74 8.976 -3.268 -7.572 1.00 0.00 H new ATOM 0 HA THR A 74 7.682 -0.844 -6.501 1.00 0.00 H new ATOM 0 HB THR A 74 7.701 -1.866 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.739 0.203 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.354 0.136 -9.885 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.507 -0.955 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.279 0.527 -8.151 1.00 0.00 H new ATOM 1195 N PHE A 75 5.730 -2.272 -5.938 1.00 0.00 N ATOM 1196 CA PHE A 75 4.523 -3.030 -5.628 1.00 0.00 C ATOM 1197 C PHE A 75 3.273 -2.220 -5.957 1.00 0.00 C ATOM 1198 O PHE A 75 3.228 -1.011 -5.736 1.00 0.00 O ATOM 1199 CB PHE A 75 4.511 -3.430 -4.151 1.00 0.00 C ATOM 1200 CG PHE A 75 5.872 -3.766 -3.610 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.597 -4.825 -4.130 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.425 -3.021 -2.581 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.849 -5.136 -3.635 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.677 -3.327 -2.082 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.390 -4.387 -2.609 1.00 0.00 C ATOM 0 H PHE A 75 5.964 -1.554 -5.253 1.00 0.00 H new ATOM 0 HA PHE A 75 4.523 -3.931 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.087 -2.614 -3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.855 -4.290 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.179 -5.415 -4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.872 -2.192 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.404 -5.964 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.098 -2.738 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.368 -4.629 -2.219 1.00 0.00 H new ATOM 1215 N GLU A 76 2.259 -2.897 -6.488 1.00 0.00 N ATOM 1216 CA GLU A 76 1.008 -2.241 -6.849 1.00 0.00 C ATOM 1217 C GLU A 76 -0.190 -3.016 -6.309 1.00 0.00 C ATOM 1218 O GLU A 76 -0.067 -4.179 -5.926 1.00 0.00 O ATOM 1219 CB GLU A 76 0.898 -2.105 -8.369 1.00 0.00 C ATOM 1220 CG GLU A 76 2.163 -1.577 -9.026 1.00 0.00 C ATOM 1221 CD GLU A 76 2.328 -2.068 -10.452 1.00 0.00 C ATOM 1222 OE1 GLU A 76 2.679 -3.252 -10.634 1.00 0.00 O ATOM 1223 OE2 GLU A 76 2.106 -1.268 -11.384 1.00 0.00 O ATOM 0 H GLU A 76 2.280 -3.899 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 76 1.007 -1.247 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.656 -3.078 -8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.069 -1.438 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.143 -0.487 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.028 -1.883 -8.438 1.00 0.00 H new ATOM 1230 N MET A 77 -1.347 -2.363 -6.281 1.00 0.00 N ATOM 1231 CA MET A 77 -2.567 -2.991 -5.788 1.00 0.00 C ATOM 1232 C MET A 77 -3.739 -2.710 -6.723 1.00 0.00 C ATOM 1233 O MET A 77 -4.355 -1.647 -6.657 1.00 0.00 O ATOM 1234 CB MET A 77 -2.891 -2.490 -4.380 1.00 0.00 C ATOM 1235 CG MET A 77 -4.135 -3.125 -3.780 1.00 0.00 C ATOM 1236 SD MET A 77 -4.303 -2.792 -2.016 1.00 0.00 S ATOM 1237 CE MET A 77 -4.317 -1.001 -2.009 1.00 0.00 C ATOM 0 H MET A 77 -1.465 -1.399 -6.594 1.00 0.00 H new ATOM 0 HA MET A 77 -2.403 -4.068 -5.753 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.041 -2.689 -3.728 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.023 -1.408 -4.410 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.016 -2.752 -4.302 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.102 -4.203 -3.941 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.148 -0.640 -0.995 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.529 -0.628 -2.663 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.283 -0.643 -2.365 1.00 0.00 H new ATOM 1247 N GLN A 78 -4.040 -3.669 -7.593 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.137 -3.523 -8.541 1.00 0.00 C ATOM 1249 C GLN A 78 -6.462 -3.940 -7.910 1.00 0.00 C ATOM 1250 O GLN A 78 -6.685 -5.119 -7.636 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.871 -4.358 -9.795 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.285 -3.669 -11.085 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.045 -4.529 -12.310 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.937 -4.713 -13.138 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.835 -5.062 -12.431 1.00 0.00 N ATOM 0 H GLN A 78 -3.539 -4.555 -7.660 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.204 -2.472 -8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.808 -4.595 -9.845 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.405 -5.304 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.342 -3.409 -11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.732 -2.735 -11.187 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.125 -4.883 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.615 -5.650 -13.235 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.336 -2.966 -7.683 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.638 -3.232 -7.085 1.00 0.00 C ATOM 1266 C ILE A 79 -9.741 -3.209 -8.138 1.00 0.00 C ATOM 1267 O ILE A 79 -10.164 -2.143 -8.585 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.972 -2.208 -5.984 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.902 -2.234 -4.892 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.346 -2.494 -5.395 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.415 -1.812 -3.533 1.00 0.00 C ATOM 0 H ILE A 79 -7.166 -1.985 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.584 -4.226 -6.640 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.988 -1.212 -6.426 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.492 -3.242 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.082 -1.577 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.568 -1.762 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.099 -2.430 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.356 -3.495 -4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.602 -1.855 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.798 -0.793 -3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.215 -2.484 -3.221 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.205 -4.392 -8.527 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.261 -4.507 -9.524 1.00 0.00 C ATOM 1285 C ILE A 80 -12.639 -4.471 -8.872 1.00 0.00 C ATOM 1286 O ILE A 80 -12.839 -5.012 -7.785 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.126 -5.807 -10.340 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.650 -6.139 -10.570 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.859 -5.678 -11.667 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.052 -7.012 -9.490 1.00 0.00 C ATOM 0 H ILE A 80 -9.866 -5.284 -8.167 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.156 -3.654 -10.194 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.579 -6.622 -9.775 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.544 -6.641 -11.532 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.082 -5.211 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.754 -6.604 -12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.915 -5.483 -11.482 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.433 -4.854 -12.239 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.004 -7.207 -9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.125 -6.503 -8.529 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.595 -7.956 -9.443 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.589 -3.830 -9.545 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.951 -3.725 -9.034 1.00 0.00 C ATOM 1304 C LYS A 81 -14.953 -3.251 -7.584 1.00 0.00 C ATOM 1305 O LYS A 81 -15.634 -3.826 -6.735 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.664 -5.075 -9.142 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.738 -5.612 -10.561 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.967 -6.482 -10.764 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.744 -7.515 -11.858 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.802 -8.562 -11.856 1.00 0.00 N ATOM 0 H LYS A 81 -13.441 -3.375 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.484 -2.991 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.147 -5.801 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.675 -4.975 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.759 -4.780 -11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.841 -6.191 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.215 -6.987 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.820 -5.854 -11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.726 -7.018 -12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.769 -7.983 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.614 -9.247 -12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.802 -9.053 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.730 -8.118 -12.011 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.188 -2.200 -7.309 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.104 -1.648 -5.962 1.00 0.00 C ATOM 1326 C ALA A 82 -15.493 -1.414 -5.378 1.00 0.00 C ATOM 1327 O ALA A 82 -16.263 -0.599 -5.886 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.309 -0.351 -5.972 1.00 0.00 C ATOM 0 H ALA A 82 -13.618 -1.714 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.589 -2.372 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.254 0.050 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.302 -0.545 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.801 0.372 -6.623 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.808 -2.135 -4.307 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.105 -2.007 -3.652 1.00 0.00 C ATOM 1336 C LYS A 83 -17.078 -0.898 -2.605 1.00 0.00 C ATOM 1337 O LYS A 83 -16.009 -0.463 -2.175 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.502 -3.332 -2.998 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.105 -4.554 -3.808 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.386 -5.841 -3.050 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.723 -7.036 -3.718 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.241 -8.326 -3.185 1.00 0.00 N ATOM 0 H LYS A 83 -15.183 -2.814 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.844 -1.748 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.040 -3.394 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.581 -3.343 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.651 -4.560 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.045 -4.500 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.024 -5.748 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.462 -6.004 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.894 -6.992 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.645 -6.986 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.765 -9.116 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.055 -8.379 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.265 -8.385 -3.354 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.259 -0.447 -2.197 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.370 0.609 -1.198 1.00 0.00 C ATOM 1358 C ASP A 84 -17.674 0.206 0.099 1.00 0.00 C ATOM 1359 O ASP A 84 -17.405 1.046 0.957 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.840 0.928 -0.924 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.443 0.020 0.130 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.573 -1.193 -0.136 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.784 0.523 1.221 1.00 0.00 O ATOM 0 H ASP A 84 -19.153 -0.796 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.880 1.500 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.929 1.965 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.408 0.833 -1.849 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.385 -1.084 0.233 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.722 -1.599 1.426 1.00 0.00 C ATOM 1370 C ASN A 85 -15.211 -1.413 1.330 1.00 0.00 C ATOM 1371 O ASN A 85 -14.504 -1.457 2.338 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.054 -3.080 1.620 1.00 0.00 C ATOM 1373 CG ASN A 85 -16.022 -3.796 2.470 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -15.234 -4.597 1.966 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -16.023 -3.512 3.767 1.00 0.00 N ATOM 0 H ASN A 85 -17.599 -1.792 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.086 -1.037 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -18.034 -3.172 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.119 -3.566 0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.353 -3.964 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -16.694 -2.842 4.142 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.721 -1.204 0.113 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.294 -1.011 -0.115 1.00 0.00 C ATOM 1384 C PHE A 86 -12.837 0.345 0.415 1.00 0.00 C ATOM 1385 O PHE A 86 -11.641 0.598 0.554 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.974 -1.123 -1.607 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.021 -2.531 -2.126 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.162 -3.303 -1.972 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.925 -3.084 -2.769 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.207 -4.599 -2.448 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.965 -4.380 -3.248 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.108 -5.138 -3.088 1.00 0.00 C ATOM 0 H PHE A 86 -15.292 -1.164 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.757 -1.792 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.682 -0.513 -2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.982 -0.710 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.025 -2.887 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.029 -2.495 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.101 -5.191 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.104 -4.799 -3.747 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.143 -6.150 -3.463 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.799 1.214 0.708 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.496 2.544 1.223 1.00 0.00 C ATOM 1404 C ALA A 87 -13.145 2.491 2.706 1.00 0.00 C ATOM 1405 O ALA A 87 -13.592 1.601 3.428 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.673 3.480 0.990 1.00 0.00 C ATOM 0 H ALA A 87 -14.794 1.021 0.598 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.629 2.927 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.434 4.470 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.876 3.550 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.553 3.092 1.502 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.341 3.450 3.154 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.944 3.494 4.549 1.00 0.00 C ATOM 1414 C GLY A 88 -10.481 3.850 4.724 1.00 0.00 C ATOM 1415 O GLY A 88 -9.967 4.740 4.047 1.00 0.00 O ATOM 0 H GLY A 88 -11.957 4.197 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.558 4.225 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.137 2.525 5.009 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.809 3.155 5.636 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.396 3.405 5.899 1.00 0.00 C ATOM 1421 C ASN A 89 -7.549 2.197 5.512 1.00 0.00 C ATOM 1422 O ASN A 89 -7.854 1.065 5.888 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.183 3.739 7.377 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.731 4.034 7.700 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.110 3.341 8.506 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.183 5.066 7.070 1.00 0.00 N ATOM 0 H ASN A 89 -10.220 2.415 6.205 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.083 4.255 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.794 4.601 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.526 2.904 7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.209 5.312 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.736 5.613 6.410 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.483 2.446 4.759 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.592 1.379 4.319 1.00 0.00 C ATOM 1435 C TYR A 90 -4.289 1.396 5.113 1.00 0.00 C ATOM 1436 O TYR A 90 -3.899 2.425 5.666 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.294 1.519 2.825 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.382 0.959 1.937 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.682 1.443 2.008 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.109 -0.054 1.026 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.679 0.933 1.198 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.099 -0.569 0.211 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.383 -0.072 0.301 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.373 -0.581 -0.508 1.00 0.00 O ATOM 0 H TYR A 90 -6.215 3.377 4.441 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.092 0.426 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.150 2.573 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.356 1.011 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.918 2.231 2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.105 -0.446 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.685 1.320 1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.869 -1.356 -0.492 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.242 -0.229 -0.223 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.619 0.250 5.162 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.360 0.131 5.887 1.00 0.00 C ATOM 1456 C ARG A 91 -1.440 -0.886 5.218 1.00 0.00 C ATOM 1457 O ARG A 91 -1.814 -2.044 5.026 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.619 -0.278 7.339 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.421 -0.074 8.252 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.811 -0.196 9.717 1.00 0.00 C ATOM 1461 NE ARG A 91 -2.269 -1.542 10.052 1.00 0.00 N ATOM 1462 CZ ARG A 91 -1.449 -2.551 10.323 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -0.136 -2.367 10.299 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -1.942 -3.747 10.619 1.00 0.00 N ATOM 0 H ARG A 91 -3.927 -0.610 4.708 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.869 1.104 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.461 0.297 7.725 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.911 -1.328 7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.653 -0.810 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.987 0.909 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.956 0.062 10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.599 0.522 9.943 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.274 -1.717 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.246 -1.449 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.492 -3.143 10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.951 -3.892 10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.311 -4.521 10.827 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.238 -0.446 4.864 1.00 0.00 N ATOM 1479 CA CYS A 92 0.734 -1.317 4.214 1.00 0.00 C ATOM 1480 C CYS A 92 1.971 -1.499 5.088 1.00 0.00 C ATOM 1481 O CYS A 92 2.443 -0.552 5.716 1.00 0.00 O ATOM 1482 CB CYS A 92 1.136 -0.743 2.854 1.00 0.00 C ATOM 1483 SG CYS A 92 2.248 0.680 2.954 1.00 0.00 S ATOM 0 H CYS A 92 0.087 0.509 5.016 1.00 0.00 H new ATOM 0 HA CYS A 92 0.269 -2.292 4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.617 -1.526 2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 92 0.235 -0.450 2.315 1.00 0.00 H new ATOM 0 HG CYS A 92 2.773 0.738 4.142 1.00 0.00 H new ATOM 1489 N GLU A 93 2.488 -2.723 5.125 1.00 0.00 N ATOM 1490 CA GLU A 93 3.668 -3.030 5.925 1.00 0.00 C ATOM 1491 C GLU A 93 4.754 -3.673 5.068 1.00 0.00 C ATOM 1492 O GLU A 93 4.558 -4.749 4.501 1.00 0.00 O ATOM 1493 CB GLU A 93 3.299 -3.959 7.083 1.00 0.00 C ATOM 1494 CG GLU A 93 2.436 -3.296 8.144 1.00 0.00 C ATOM 1495 CD GLU A 93 1.524 -4.280 8.852 1.00 0.00 C ATOM 1496 OE1 GLU A 93 0.411 -4.529 8.344 1.00 0.00 O ATOM 1497 OE2 GLU A 93 1.925 -4.800 9.914 1.00 0.00 O ATOM 0 H GLU A 93 2.109 -3.518 4.611 1.00 0.00 H new ATOM 0 HA GLU A 93 4.055 -2.095 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.771 -4.827 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.214 -4.327 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.078 -2.809 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.833 -2.515 7.681 1.00 0.00 H new ATOM 1504 N VAL A 94 5.901 -3.007 4.978 1.00 0.00 N ATOM 1505 CA VAL A 94 7.019 -3.514 4.191 1.00 0.00 C ATOM 1506 C VAL A 94 8.257 -3.712 5.059 1.00 0.00 C ATOM 1507 O VAL A 94 8.892 -2.747 5.485 1.00 0.00 O ATOM 1508 CB VAL A 94 7.367 -2.561 3.032 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.579 -3.070 2.267 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.173 -2.395 2.104 1.00 0.00 C ATOM 0 H VAL A 94 6.080 -2.116 5.440 1.00 0.00 H new ATOM 0 HA VAL A 94 6.708 -4.475 3.781 1.00 0.00 H new ATOM 0 HB VAL A 94 7.614 -1.585 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.810 -2.384 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.434 -3.134 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.364 -4.058 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.436 -1.719 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.894 -3.365 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.333 -1.982 2.662 1.00 0.00 H new ATOM 1520 N THR A 95 8.595 -4.971 5.319 1.00 0.00 N ATOM 1521 CA THR A 95 9.757 -5.297 6.137 1.00 0.00 C ATOM 1522 C THR A 95 10.893 -5.848 5.283 1.00 0.00 C ATOM 1523 O THR A 95 10.748 -6.883 4.632 1.00 0.00 O ATOM 1524 CB THR A 95 9.404 -6.326 7.228 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.128 -6.017 7.798 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.463 -6.341 8.320 1.00 0.00 C ATOM 0 H THR A 95 8.081 -5.782 4.975 1.00 0.00 H new ATOM 0 HA THR A 95 10.080 -4.371 6.612 1.00 0.00 H new ATOM 0 HB THR A 95 9.366 -7.313 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.114 -5.078 8.078 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.192 -7.075 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.428 -6.605 7.887 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.528 -5.354 8.777 1.00 0.00 H new ATOM 1534 N TYR A 96 12.024 -5.151 5.291 1.00 0.00 N ATOM 1535 CA TYR A 96 13.186 -5.570 4.516 1.00 0.00 C ATOM 1536 C TYR A 96 14.337 -5.972 5.433 1.00 0.00 C ATOM 1537 O TYR A 96 14.423 -5.521 6.575 1.00 0.00 O ATOM 1538 CB TYR A 96 13.633 -4.446 3.580 1.00 0.00 C ATOM 1539 CG TYR A 96 14.718 -4.859 2.612 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.670 -6.090 1.969 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.790 -4.019 2.339 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.660 -6.472 1.084 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.783 -4.392 1.454 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.714 -5.620 0.830 1.00 0.00 C ATOM 1545 OH TYR A 96 17.701 -5.996 -0.052 1.00 0.00 O ATOM 0 H TYR A 96 12.161 -4.293 5.826 1.00 0.00 H new ATOM 0 HA TYR A 96 12.900 -6.437 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.771 -4.090 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.991 -3.608 4.178 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.845 -6.759 2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.848 -3.057 2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.609 -7.433 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.609 -3.726 1.252 1.00 0.00 H new ATOM 0 HH TYR A 96 18.369 -5.282 -0.119 1.00 0.00 H new ATOM 1555 N LYS A 97 15.221 -6.823 4.924 1.00 0.00 N ATOM 1556 CA LYS A 97 16.370 -7.285 5.694 1.00 0.00 C ATOM 1557 C LYS A 97 17.111 -6.111 6.324 1.00 0.00 C ATOM 1558 O LYS A 97 17.475 -6.153 7.499 1.00 0.00 O ATOM 1559 CB LYS A 97 17.321 -8.083 4.799 1.00 0.00 C ATOM 1560 CG LYS A 97 16.612 -8.915 3.745 1.00 0.00 C ATOM 1561 CD LYS A 97 15.385 -9.607 4.314 1.00 0.00 C ATOM 1562 CE LYS A 97 15.106 -10.922 3.602 1.00 0.00 C ATOM 1563 NZ LYS A 97 13.968 -11.657 4.220 1.00 0.00 N ATOM 0 H LYS A 97 15.164 -7.207 3.981 1.00 0.00 H new ATOM 0 HA LYS A 97 16.005 -7.931 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.006 -7.393 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.926 -8.741 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.317 -8.276 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.299 -9.661 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.531 -9.792 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.520 -8.951 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.885 -10.727 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.999 -11.546 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.810 -12.547 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.189 -11.866 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.110 -11.072 4.171 1.00 0.00 H new ATOM 1577 N ASP A 98 17.331 -5.064 5.535 1.00 0.00 N ATOM 1578 CA ASP A 98 18.027 -3.877 6.017 1.00 0.00 C ATOM 1579 C ASP A 98 17.205 -3.161 7.085 1.00 0.00 C ATOM 1580 O ASP A 98 17.559 -3.168 8.264 1.00 0.00 O ATOM 1581 CB ASP A 98 18.318 -2.924 4.856 1.00 0.00 C ATOM 1582 CG ASP A 98 19.421 -3.436 3.950 1.00 0.00 C ATOM 1583 OD1 ASP A 98 19.308 -4.583 3.468 1.00 0.00 O ATOM 1584 OD2 ASP A 98 20.395 -2.689 3.723 1.00 0.00 O ATOM 0 H ASP A 98 17.037 -5.014 4.559 1.00 0.00 H new ATOM 0 HA ASP A 98 18.970 -4.194 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 98 17.409 -2.780 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.600 -1.949 5.252 1.00 0.00 H new ATOM 1589 N LYS A 99 16.107 -2.543 6.664 1.00 0.00 N ATOM 1590 CA LYS A 99 15.234 -1.822 7.582 1.00 0.00 C ATOM 1591 C LYS A 99 13.767 -2.092 7.264 1.00 0.00 C ATOM 1592 O LYS A 99 13.441 -2.645 6.213 1.00 0.00 O ATOM 1593 CB LYS A 99 15.514 -0.319 7.511 1.00 0.00 C ATOM 1594 CG LYS A 99 16.941 0.051 7.874 1.00 0.00 C ATOM 1595 CD LYS A 99 17.175 -0.032 9.373 1.00 0.00 C ATOM 1596 CE LYS A 99 16.799 1.267 10.069 1.00 0.00 C ATOM 1597 NZ LYS A 99 17.335 1.329 11.457 1.00 0.00 N ATOM 0 H LYS A 99 15.800 -2.527 5.691 1.00 0.00 H new ATOM 0 HA LYS A 99 15.440 -2.176 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.301 0.035 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.831 0.202 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.633 -0.616 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.155 1.062 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.589 -0.852 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.223 -0.259 9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.181 2.111 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.714 1.364 10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.057 2.230 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.951 0.539 12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.373 1.262 11.432 1.00 0.00 H new ATOM 1611 N PHE A 100 12.886 -1.698 8.177 1.00 0.00 N ATOM 1612 CA PHE A 100 11.453 -1.898 7.993 1.00 0.00 C ATOM 1613 C PHE A 100 10.711 -0.565 8.018 1.00 0.00 C ATOM 1614 O PHE A 100 10.845 0.215 8.962 1.00 0.00 O ATOM 1615 CB PHE A 100 10.901 -2.823 9.080 1.00 0.00 C ATOM 1616 CG PHE A 100 9.466 -2.550 9.427 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.450 -2.884 8.546 1.00 0.00 C ATOM 1618 CD2 PHE A 100 9.132 -1.959 10.635 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.128 -2.634 8.862 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.811 -1.708 10.958 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.809 -2.045 10.070 1.00 0.00 C ATOM 0 H PHE A 100 13.139 -1.238 9.052 1.00 0.00 H new ATOM 0 HA PHE A 100 11.298 -2.362 7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.996 -3.857 8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.510 -2.719 9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.694 -3.345 7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.912 -1.691 11.332 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.346 -2.899 8.166 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.563 -1.249 11.904 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.777 -1.848 10.320 1.00 0.00 H new ATOM 1631 N ASP A 101 9.928 -0.311 6.975 1.00 0.00 N ATOM 1632 CA ASP A 101 9.164 0.927 6.877 1.00 0.00 C ATOM 1633 C ASP A 101 7.696 0.637 6.578 1.00 0.00 C ATOM 1634 O ASP A 101 7.373 -0.324 5.880 1.00 0.00 O ATOM 1635 CB ASP A 101 9.750 1.829 5.790 1.00 0.00 C ATOM 1636 CG ASP A 101 9.500 3.300 6.060 1.00 0.00 C ATOM 1637 OD1 ASP A 101 9.303 3.662 7.239 1.00 0.00 O ATOM 1638 OD2 ASP A 101 9.501 4.089 5.092 1.00 0.00 O ATOM 0 H ASP A 101 9.806 -0.946 6.186 1.00 0.00 H new ATOM 0 HA ASP A 101 9.227 1.440 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.823 1.654 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.316 1.561 4.827 1.00 0.00 H new ATOM 1643 N SER A 102 6.812 1.474 7.111 1.00 0.00 N ATOM 1644 CA SER A 102 5.378 1.305 6.905 1.00 0.00 C ATOM 1645 C SER A 102 4.688 2.657 6.756 1.00 0.00 C ATOM 1646 O SER A 102 5.252 3.696 7.100 1.00 0.00 O ATOM 1647 CB SER A 102 4.762 0.531 8.072 1.00 0.00 C ATOM 1648 OG SER A 102 5.051 -0.853 7.975 1.00 0.00 O ATOM 0 H SER A 102 7.063 2.276 7.689 1.00 0.00 H new ATOM 0 HA SER A 102 5.232 0.739 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.147 0.921 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.682 0.680 8.082 1.00 0.00 H new ATOM 0 HG SER A 102 5.925 -1.034 8.380 1.00 0.00 H new ATOM 1654 N CYS A 103 3.464 2.635 6.240 1.00 0.00 N ATOM 1655 CA CYS A 103 2.695 3.859 6.043 1.00 0.00 C ATOM 1656 C CYS A 103 1.217 3.545 5.832 1.00 0.00 C ATOM 1657 O CYS A 103 0.858 2.433 5.445 1.00 0.00 O ATOM 1658 CB CYS A 103 3.238 4.641 4.847 1.00 0.00 C ATOM 1659 SG CYS A 103 3.047 3.792 3.262 1.00 0.00 S ATOM 0 H CYS A 103 2.983 1.783 5.951 1.00 0.00 H new ATOM 0 HA CYS A 103 2.794 4.469 6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.730 5.604 4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.296 4.847 5.011 1.00 0.00 H new ATOM 0 HG CYS A 103 2.662 2.568 3.469 1.00 0.00 H new ATOM 1665 N SER A 104 0.365 4.531 6.091 1.00 0.00 N ATOM 1666 CA SER A 104 -1.075 4.358 5.934 1.00 0.00 C ATOM 1667 C SER A 104 -1.646 5.399 4.976 1.00 0.00 C ATOM 1668 O SER A 104 -1.174 6.535 4.922 1.00 0.00 O ATOM 1669 CB SER A 104 -1.772 4.460 7.292 1.00 0.00 C ATOM 1670 OG SER A 104 -1.767 5.795 7.769 1.00 0.00 O ATOM 0 H SER A 104 0.646 5.458 6.410 1.00 0.00 H new ATOM 0 HA SER A 104 -1.254 3.368 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.799 4.106 7.205 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.271 3.812 8.011 1.00 0.00 H new ATOM 0 HG SER A 104 -2.220 5.834 8.637 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.666 5.003 4.222 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.302 5.901 3.265 1.00 0.00 C ATOM 1678 C PHE A 105 -4.818 5.893 3.437 1.00 0.00 C ATOM 1679 O PHE A 105 -5.348 5.249 4.342 1.00 0.00 O ATOM 1680 CB PHE A 105 -2.938 5.497 1.834 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.712 4.021 1.668 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.695 3.380 2.356 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.517 3.275 0.822 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.485 2.022 2.205 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.313 1.917 0.667 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.295 1.290 1.358 1.00 0.00 C ATOM 0 H PHE A 105 -3.070 4.067 4.255 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.937 6.911 3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.736 5.812 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.037 6.031 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.058 3.948 3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.313 3.761 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.689 1.534 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.949 1.347 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.132 0.229 1.237 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.510 6.614 2.562 1.00 0.00 N ATOM 1697 CA ASP A 106 -6.966 6.691 2.616 1.00 0.00 C ATOM 1698 C ASP A 106 -7.574 6.447 1.238 1.00 0.00 C ATOM 1699 O ASP A 106 -7.154 7.046 0.247 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.406 8.056 3.147 1.00 0.00 C ATOM 1701 CG ASP A 106 -6.807 9.205 2.359 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -5.599 9.471 2.526 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -7.547 9.838 1.577 1.00 0.00 O ATOM 0 H ASP A 106 -5.087 7.154 1.807 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.322 5.915 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.493 8.123 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.115 8.146 4.194 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.564 5.563 1.183 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.230 5.238 -0.074 1.00 0.00 C ATOM 1710 C LEU A 107 -10.739 5.425 0.046 1.00 0.00 C ATOM 1711 O LEU A 107 -11.385 4.807 0.891 1.00 0.00 O ATOM 1712 CB LEU A 107 -8.914 3.798 -0.484 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.429 3.363 -1.856 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -10.862 2.863 -1.755 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.331 4.510 -2.851 1.00 0.00 C ATOM 0 H LEU A 107 -8.923 5.059 1.993 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.858 5.917 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.832 3.665 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.331 3.128 0.268 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.805 2.544 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.211 2.558 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.903 2.011 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.500 3.661 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.702 4.182 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.930 5.350 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.291 4.821 -2.946 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.294 6.280 -0.808 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.727 6.547 -0.798 1.00 0.00 C ATOM 1729 C GLU A 108 -13.416 5.866 -1.977 1.00 0.00 C ATOM 1730 O GLU A 108 -12.776 5.527 -2.973 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.988 8.054 -0.842 1.00 0.00 C ATOM 1732 CG GLU A 108 -13.069 8.698 0.532 1.00 0.00 C ATOM 1733 CD GLU A 108 -14.359 8.369 1.256 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -14.758 7.185 1.248 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -14.970 9.294 1.831 1.00 0.00 O ATOM 0 H GLU A 108 -10.773 6.799 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.139 6.141 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.194 8.535 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.921 8.237 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.224 8.366 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.981 9.779 0.428 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.724 5.667 -1.857 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.501 5.027 -2.912 1.00 0.00 C ATOM 1744 C VAL A 109 -16.782 5.802 -3.198 1.00 0.00 C ATOM 1745 O VAL A 109 -17.584 6.053 -2.298 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.863 3.577 -2.541 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.517 2.872 -3.720 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.627 2.822 -2.076 1.00 0.00 C ATOM 0 H VAL A 109 -15.269 5.940 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.877 5.020 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.578 3.598 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.766 1.849 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.427 3.402 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.828 2.859 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.901 1.799 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.887 2.808 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.206 3.317 -1.201 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.970 6.179 -4.459 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.155 6.926 -4.866 1.00 0.00 C ATOM 1760 C HIS A 110 -19.141 6.021 -5.599 1.00 0.00 C ATOM 1761 O HIS A 110 -18.742 5.137 -6.355 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.762 8.102 -5.760 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.095 9.220 -5.020 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.077 10.520 -5.478 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.423 9.227 -3.845 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.420 11.279 -4.619 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -16.013 10.518 -3.619 1.00 0.00 N ATOM 0 H HIS A 110 -16.317 5.979 -5.217 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.639 7.310 -3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.093 7.745 -6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.654 8.486 -6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.243 8.376 -3.205 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.246 12.340 -4.718 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.480 10.838 -2.810 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.431 6.250 -5.368 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.473 5.454 -6.006 1.00 0.00 C ATOM 1778 C GLU A 111 -21.488 5.686 -7.515 1.00 0.00 C ATOM 1779 O GLU A 111 -21.638 6.817 -7.978 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.841 5.795 -5.413 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.001 5.363 -3.965 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.452 5.166 -3.572 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.149 4.379 -4.246 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.891 5.800 -2.589 1.00 0.00 O ATOM 0 H GLU A 111 -20.778 6.979 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.256 4.402 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.000 6.871 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.617 5.319 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.456 4.433 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.551 6.113 -3.314 1.00 0.00 H new ATOM 1791 N SER A 112 -21.331 4.607 -8.275 1.00 0.00 N ATOM 1792 CA SER A 112 -21.323 4.693 -9.731 1.00 0.00 C ATOM 1793 C SER A 112 -22.714 5.019 -10.264 1.00 0.00 C ATOM 1794 O SER A 112 -23.459 4.129 -10.677 1.00 0.00 O ATOM 1795 CB SER A 112 -20.827 3.379 -10.337 1.00 0.00 C ATOM 1796 OG SER A 112 -20.775 3.457 -11.751 1.00 0.00 O ATOM 0 H SER A 112 -21.208 3.664 -7.907 1.00 0.00 H new ATOM 0 HA SER A 112 -20.646 5.497 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.837 3.145 -9.946 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.488 2.565 -10.039 1.00 0.00 H new ATOM 0 HG SER A 112 -20.454 2.605 -12.114 1.00 0.00 H new ATOM 1802 N THR A 113 -23.060 6.303 -10.252 1.00 0.00 N ATOM 1803 CA THR A 113 -24.362 6.748 -10.733 1.00 0.00 C ATOM 1804 C THR A 113 -24.508 6.504 -12.230 1.00 0.00 C ATOM 1805 O THR A 113 -25.479 5.895 -12.677 1.00 0.00 O ATOM 1806 CB THR A 113 -24.585 8.245 -10.444 1.00 0.00 C ATOM 1807 OG1 THR A 113 -24.416 8.505 -9.046 1.00 0.00 O ATOM 1808 CG2 THR A 113 -25.976 8.679 -10.882 1.00 0.00 C ATOM 0 H THR A 113 -22.456 7.053 -9.914 1.00 0.00 H new ATOM 0 HA THR A 113 -25.113 6.166 -10.198 1.00 0.00 H new ATOM 0 HB THR A 113 -23.849 8.815 -11.010 1.00 0.00 H new ATOM 0 HG1 THR A 113 -24.558 9.459 -8.871 1.00 0.00 H new ATOM 0 HG21 THR A 113 -26.111 9.739 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 113 -26.091 8.507 -11.952 1.00 0.00 H new ATOM 0 HG23 THR A 113 -26.725 8.102 -10.340 1.00 0.00 H new ATOM 1816 N GLY A 114 -23.536 6.982 -13.001 1.00 0.00 N ATOM 1817 CA GLY A 114 -23.576 6.804 -14.441 1.00 0.00 C ATOM 1818 C GLY A 114 -23.657 8.122 -15.186 1.00 0.00 C ATOM 1819 O GLY A 114 -22.633 8.719 -15.519 1.00 0.00 O ATOM 0 H GLY A 114 -22.722 7.489 -12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -22.686 6.263 -14.762 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -24.436 6.188 -14.704 1.00 0.00 H new ATOM 1823 N THR A 115 -24.878 8.577 -15.450 1.00 0.00 N ATOM 1824 CA THR A 115 -25.088 9.830 -16.163 1.00 0.00 C ATOM 1825 C THR A 115 -26.079 10.723 -15.425 1.00 0.00 C ATOM 1826 O THR A 115 -27.078 10.247 -14.885 1.00 0.00 O ATOM 1827 CB THR A 115 -25.605 9.583 -17.593 1.00 0.00 C ATOM 1828 OG1 THR A 115 -24.703 8.723 -18.298 1.00 0.00 O ATOM 1829 CG2 THR A 115 -25.756 10.895 -18.348 1.00 0.00 C ATOM 0 H THR A 115 -25.736 8.096 -15.180 1.00 0.00 H new ATOM 0 HA THR A 115 -24.121 10.330 -16.215 1.00 0.00 H new ATOM 0 HB THR A 115 -26.583 9.106 -17.525 1.00 0.00 H new ATOM 0 HG1 THR A 115 -25.039 8.569 -19.206 1.00 0.00 H new ATOM 0 HG21 THR A 115 -26.122 10.695 -19.355 1.00 0.00 H new ATOM 0 HG22 THR A 115 -26.465 11.536 -17.825 1.00 0.00 H new ATOM 0 HG23 THR A 115 -24.789 11.395 -18.406 1.00 0.00 H new ATOM 1837 N THR A 116 -25.797 12.022 -15.405 1.00 0.00 N ATOM 1838 CA THR A 116 -26.663 12.982 -14.732 1.00 0.00 C ATOM 1839 C THR A 116 -27.229 13.997 -15.718 1.00 0.00 C ATOM 1840 O THR A 116 -26.609 14.330 -16.728 1.00 0.00 O ATOM 1841 CB THR A 116 -25.910 13.731 -13.616 1.00 0.00 C ATOM 1842 OG1 THR A 116 -24.763 14.395 -14.159 1.00 0.00 O ATOM 1843 CG2 THR A 116 -25.476 12.772 -12.518 1.00 0.00 C ATOM 0 H THR A 116 -24.975 12.433 -15.847 1.00 0.00 H new ATOM 0 HA THR A 116 -27.482 12.414 -14.290 1.00 0.00 H new ATOM 0 HB THR A 116 -26.586 14.470 -13.184 1.00 0.00 H new ATOM 0 HG1 THR A 116 -24.291 14.870 -13.444 1.00 0.00 H new ATOM 0 HG21 THR A 116 -24.946 13.324 -11.741 1.00 0.00 H new ATOM 0 HG22 THR A 116 -26.354 12.291 -12.087 1.00 0.00 H new ATOM 0 HG23 THR A 116 -24.816 12.013 -12.938 1.00 0.00 H new ATOM 1851 N PRO A 117 -28.435 14.503 -15.421 1.00 0.00 N ATOM 1852 CA PRO A 117 -29.110 15.490 -16.269 1.00 0.00 C ATOM 1853 C PRO A 117 -28.423 16.851 -16.236 1.00 0.00 C ATOM 1854 O PRO A 117 -28.319 17.479 -15.184 1.00 0.00 O ATOM 1855 CB PRO A 117 -30.510 15.584 -15.657 1.00 0.00 C ATOM 1856 CG PRO A 117 -30.331 15.178 -14.235 1.00 0.00 C ATOM 1857 CD PRO A 117 -29.231 14.152 -14.233 1.00 0.00 C ATOM 0 HA PRO A 117 -29.106 15.195 -17.318 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -30.908 16.596 -15.732 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -31.211 14.927 -16.171 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -30.067 16.035 -13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -31.253 14.762 -13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -28.636 14.203 -13.321 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -29.627 13.139 -14.299 1.00 0.00 H new ATOM 1865 N ASN A 118 -27.955 17.300 -17.396 1.00 0.00 N ATOM 1866 CA ASN A 118 -27.276 18.587 -17.500 1.00 0.00 C ATOM 1867 C ASN A 118 -28.087 19.685 -16.818 1.00 0.00 C ATOM 1868 O ASN A 118 -29.285 19.530 -16.580 1.00 0.00 O ATOM 1869 CB ASN A 118 -27.043 18.947 -18.969 1.00 0.00 C ATOM 1870 CG ASN A 118 -26.286 17.866 -19.716 1.00 0.00 C ATOM 1871 OD1 ASN A 118 -25.449 17.169 -19.142 1.00 0.00 O ATOM 1872 ND2 ASN A 118 -26.578 17.721 -21.003 1.00 0.00 N ATOM 0 H ASN A 118 -28.033 16.792 -18.277 1.00 0.00 H new ATOM 0 HA ASN A 118 -26.313 18.504 -16.996 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -28.004 19.116 -19.456 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -26.487 19.883 -19.027 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -26.101 17.009 -21.557 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -27.279 18.321 -21.438 1.00 0.00 H new ATOM 1879 N ILE A 119 -27.424 20.794 -16.506 1.00 0.00 N ATOM 1880 CA ILE A 119 -28.083 21.919 -15.854 1.00 0.00 C ATOM 1881 C ILE A 119 -28.763 22.826 -16.874 1.00 0.00 C ATOM 1882 O ILE A 119 -28.099 23.466 -17.690 1.00 0.00 O ATOM 1883 CB ILE A 119 -27.087 22.752 -15.026 1.00 0.00 C ATOM 1884 CG1 ILE A 119 -26.542 21.925 -13.860 1.00 0.00 C ATOM 1885 CG2 ILE A 119 -27.752 24.022 -14.517 1.00 0.00 C ATOM 1886 CD1 ILE A 119 -25.334 21.091 -14.223 1.00 0.00 C ATOM 0 H ILE A 119 -26.432 20.937 -16.694 1.00 0.00 H new ATOM 0 HA ILE A 119 -28.836 21.499 -15.187 1.00 0.00 H new ATOM 0 HB ILE A 119 -26.252 23.035 -15.667 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -26.278 22.595 -13.042 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -27.330 21.268 -13.492 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -27.035 24.600 -13.934 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -28.095 24.617 -15.363 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -28.603 23.760 -13.889 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -25.002 20.532 -13.348 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -25.598 20.396 -15.020 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -24.530 21.744 -14.563 1.00 0.00 H new ATOM 1898 N ASP A 120 -30.089 22.876 -16.822 1.00 0.00 N ATOM 1899 CA ASP A 120 -30.859 23.707 -17.740 1.00 0.00 C ATOM 1900 C ASP A 120 -30.186 25.061 -17.943 1.00 0.00 C ATOM 1901 O ASP A 120 -29.712 25.679 -16.990 1.00 0.00 O ATOM 1902 CB ASP A 120 -32.281 23.905 -17.212 1.00 0.00 C ATOM 1903 CG ASP A 120 -33.214 24.477 -18.261 1.00 0.00 C ATOM 1904 OD1 ASP A 120 -33.384 23.833 -19.317 1.00 0.00 O ATOM 1905 OD2 ASP A 120 -33.774 25.569 -18.026 1.00 0.00 O ATOM 0 H ASP A 120 -30.653 22.351 -16.154 1.00 0.00 H new ATOM 0 HA ASP A 120 -30.904 23.196 -18.702 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -32.673 22.949 -16.864 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -32.256 24.572 -16.350 1.00 0.00 H new ATOM 1910 N SER A 121 -30.147 25.515 -19.191 1.00 0.00 N ATOM 1911 CA SER A 121 -29.527 26.793 -19.520 1.00 0.00 C ATOM 1912 C SER A 121 -30.300 27.503 -20.627 1.00 0.00 C ATOM 1913 O SER A 121 -30.955 26.865 -21.450 1.00 0.00 O ATOM 1914 CB SER A 121 -28.074 26.584 -19.952 1.00 0.00 C ATOM 1915 OG SER A 121 -27.213 26.516 -18.828 1.00 0.00 O ATOM 0 H SER A 121 -30.537 25.017 -19.991 1.00 0.00 H new ATOM 0 HA SER A 121 -29.547 27.418 -18.627 1.00 0.00 H new ATOM 0 HB2 SER A 121 -27.992 25.665 -20.533 1.00 0.00 H new ATOM 0 HB3 SER A 121 -27.764 27.401 -20.603 1.00 0.00 H new ATOM 0 HG SER A 121 -27.730 26.261 -18.035 1.00 0.00 H new ATOM 1921 N GLY A 122 -30.219 28.831 -20.640 1.00 0.00 N ATOM 1922 CA GLY A 122 -30.916 29.607 -21.649 1.00 0.00 C ATOM 1923 C GLY A 122 -30.260 30.950 -21.902 1.00 0.00 C ATOM 1924 O GLY A 122 -30.134 31.782 -21.004 1.00 0.00 O ATOM 0 H GLY A 122 -29.683 29.382 -19.970 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -30.949 29.041 -22.580 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -31.948 29.763 -21.334 1.00 0.00 H new ATOM 1928 N PRO A 123 -29.828 31.175 -23.152 1.00 0.00 N ATOM 1929 CA PRO A 123 -29.173 32.425 -23.550 1.00 0.00 C ATOM 1930 C PRO A 123 -30.139 33.605 -23.566 1.00 0.00 C ATOM 1931 O PRO A 123 -31.214 33.531 -24.161 1.00 0.00 O ATOM 1932 CB PRO A 123 -28.669 32.127 -24.964 1.00 0.00 C ATOM 1933 CG PRO A 123 -29.573 31.057 -25.471 1.00 0.00 C ATOM 1934 CD PRO A 123 -29.945 30.227 -24.273 1.00 0.00 C ATOM 0 HA PRO A 123 -28.385 32.712 -22.854 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -28.713 33.015 -25.595 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -27.631 31.795 -24.952 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -30.459 31.485 -25.940 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -29.074 30.450 -26.227 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -30.956 29.828 -24.358 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -29.276 29.375 -24.151 1.00 0.00 H new ATOM 1942 N SER A 124 -29.747 34.693 -22.910 1.00 0.00 N ATOM 1943 CA SER A 124 -30.580 35.888 -22.847 1.00 0.00 C ATOM 1944 C SER A 124 -30.521 36.662 -24.161 1.00 0.00 C ATOM 1945 O SER A 124 -29.444 36.883 -24.716 1.00 0.00 O ATOM 1946 CB SER A 124 -30.133 36.787 -21.692 1.00 0.00 C ATOM 1947 OG SER A 124 -28.834 37.304 -21.922 1.00 0.00 O ATOM 0 H SER A 124 -28.859 34.771 -22.415 1.00 0.00 H new ATOM 0 HA SER A 124 -31.610 35.574 -22.676 1.00 0.00 H new ATOM 0 HB2 SER A 124 -30.839 37.609 -21.572 1.00 0.00 H new ATOM 0 HB3 SER A 124 -30.143 36.220 -20.761 1.00 0.00 H new ATOM 0 HG SER A 124 -28.572 37.876 -21.171 1.00 0.00 H new ATOM 1953 N SER A 125 -31.686 37.071 -24.653 1.00 0.00 N ATOM 1954 CA SER A 125 -31.768 37.817 -25.903 1.00 0.00 C ATOM 1955 C SER A 125 -30.925 39.087 -25.835 1.00 0.00 C ATOM 1956 O SER A 125 -30.777 39.690 -24.773 1.00 0.00 O ATOM 1957 CB SER A 125 -33.223 38.173 -26.214 1.00 0.00 C ATOM 1958 OG SER A 125 -34.012 37.006 -26.367 1.00 0.00 O ATOM 0 H SER A 125 -32.586 36.898 -24.205 1.00 0.00 H new ATOM 0 HA SER A 125 -31.377 37.185 -26.701 1.00 0.00 H new ATOM 0 HB2 SER A 125 -33.630 38.788 -25.411 1.00 0.00 H new ATOM 0 HB3 SER A 125 -33.268 38.768 -27.126 1.00 0.00 H new ATOM 0 HG SER A 125 -34.938 37.260 -26.563 1.00 0.00 H new ATOM 1964 N GLY A 126 -30.375 39.486 -26.977 1.00 0.00 N ATOM 1965 CA GLY A 126 -29.553 40.681 -27.027 1.00 0.00 C ATOM 1966 C GLY A 126 -30.339 41.908 -27.445 1.00 0.00 C ATOM 1967 O GLY A 126 -30.453 42.205 -28.634 1.00 0.00 O ATOM 0 H GLY A 126 -30.484 39.003 -27.869 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -29.109 40.854 -26.047 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -28.731 40.524 -27.726 1.00 0.00 H new TER 1971 GLY A 126