USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 LYS NZ :NH3+ -145:sc= 0.33 (180deg=-0.108) USER MOD Set 1.2: A 100 THR OG1 : rot -170:sc= 0.315 USER MOD Set 2.1: A 87 THR OG1 : rot 100:sc= 0.898 USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 1.01 USER MOD Set 3.1: A 82 THR OG1 : rot -100:sc= 1.05 USER MOD Set 3.2: A 101 GLN : amide:sc= 0.927 X(o=2,f=2.1) USER MOD Set 4.1: A 75 SER OG : rot -102:sc= 1.1 USER MOD Set 4.2: A 77 SER OG : rot 180:sc= 0.11 USER MOD Set 4.3: A 79 MET CE :methyl -173:sc= -0.6 (180deg=-0.607) USER MOD Set 5.1: A 74 GLN : amide:sc= -0.702 K(o=-0.091,f=-6.3!) USER MOD Set 5.2: A 105 HIS : no HE2:sc= 0.611 K(o=-0.091,f=-3.6!) USER MOD Set 6.1: A 34 LYS NZ :NH3+ 138:sc= 1.13 (180deg=-1.54!) USER MOD Set 6.2: A 37 GLN : amide:sc= 0.443 K(o=1.6,f=-2.8) USER MOD Set 7.1: A 25 TYR OH : rot -13:sc= 0.991 USER MOD Set 7.2: A 29 MET CE :methyl 179:sc= -0.0386 (180deg=-0.0389) USER MOD Set 8.1: A 17 ASN : amide:sc= 0.508 X(o=1.5,f=1.5) USER MOD Set 8.2: A 20 SER OG : rot 101:sc= 0.996 USER MOD Single : A 1 LYS N :NH3+ -157:sc= -0.0852 (180deg=-0.972) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.406 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0459) USER MOD Single : A 11 GLN : amide:sc= -0.0085 X(o=-0.0085,f=0) USER MOD Single : A 12 HIS : no HE2:sc= -0.47 K(o=-0.47,f=-2.6!) USER MOD Single : A 13 MET CE :methyl -154:sc= 0 (180deg=-0.0879) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 87:sc= 0.725 USER MOD Single : A 21 SER OG : rot 180:sc= 0.128 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 52:sc= 0.118 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 27 ASN : amide:sc= 0.394 K(o=0.39,f=-6.4!) USER MOD Single : A 30 MET CE :methyl -149:sc= 0 (180deg=-0.218) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.837 K(o=0.84,f=-0.87) USER MOD Single : A 45 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 48 HIS : no HE2:sc= 0.0222 K(o=0.022,f=-2.8!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0184 (180deg=-0.309) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0906 K(o=-0.091,f=-0.97) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0.718 (180deg=0.694) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0857) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0941 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0003) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 90 SER OG : rot 144:sc= 1.77 USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= -0.116 (180deg=-1.07) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 97 TYR OH : rot 28:sc= 1.23 USER MOD Single : A 99 THR OG1 : rot 84:sc= 1.04 USER MOD Single : A 104 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.074) USER MOD Single : A 113 LYS NZ :NH3+ 170:sc=-0.00436 (180deg=-0.11) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 119 HIS : no HE2:sc= 0.585 K(o=0.58,f=-2.8!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.947 -7.909 9.568 1.00 0.00 N ATOM 2 CA LYS A 1 -14.483 -8.628 10.771 1.00 0.00 C ATOM 3 C LYS A 1 -13.095 -9.250 10.569 1.00 0.00 C ATOM 4 O LYS A 1 -12.348 -9.403 11.534 1.00 0.00 O ATOM 5 CB LYS A 1 -15.499 -9.680 11.242 1.00 0.00 C ATOM 6 CG LYS A 1 -16.819 -9.077 11.755 1.00 0.00 C ATOM 7 CD LYS A 1 -17.893 -8.931 10.668 1.00 0.00 C ATOM 8 CE LYS A 1 -19.168 -8.330 11.273 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.230 -8.186 10.262 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.659 -7.201 9.840 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.141 -7.433 9.115 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.369 -8.586 8.900 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.395 -7.883 11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.716 -10.358 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.050 -10.277 12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.208 -9.705 12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.617 -8.097 12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.525 -8.293 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -18.112 -9.904 10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.521 -8.966 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -18.942 -7.356 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -21.078 -7.777 10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.901 -7.560 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -20.462 -9.120 9.867 1.00 0.00 H new ATOM 25 N GLU A 2 -12.736 -9.589 9.325 1.00 0.00 N ATOM 26 CA GLU A 2 -11.386 -9.983 8.972 1.00 0.00 C ATOM 27 C GLU A 2 -10.376 -8.961 9.500 1.00 0.00 C ATOM 28 O GLU A 2 -10.623 -7.757 9.453 1.00 0.00 O ATOM 29 CB GLU A 2 -11.268 -10.170 7.449 1.00 0.00 C ATOM 30 CG GLU A 2 -9.813 -10.249 6.957 1.00 0.00 C ATOM 31 CD GLU A 2 -9.727 -10.733 5.514 1.00 0.00 C ATOM 32 OE1 GLU A 2 -9.824 -11.965 5.324 1.00 0.00 O ATOM 33 OE2 GLU A 2 -9.564 -9.866 4.629 1.00 0.00 O ATOM 0 H GLU A 2 -13.385 -9.595 8.538 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.158 -10.940 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.792 -11.081 7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.769 -9.342 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.348 -9.266 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.248 -10.923 7.601 1.00 0.00 H new ATOM 40 N SER A 3 -9.225 -9.456 9.957 1.00 0.00 N ATOM 41 CA SER A 3 -8.070 -8.644 10.295 1.00 0.00 C ATOM 42 C SER A 3 -6.939 -9.031 9.343 1.00 0.00 C ATOM 43 O SER A 3 -7.145 -9.800 8.405 1.00 0.00 O ATOM 44 CB SER A 3 -7.702 -8.839 11.771 1.00 0.00 C ATOM 45 OG SER A 3 -6.657 -7.953 12.135 1.00 0.00 O ATOM 0 H SER A 3 -9.073 -10.454 10.103 1.00 0.00 H new ATOM 0 HA SER A 3 -8.279 -7.581 10.174 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.575 -8.660 12.398 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.392 -9.870 11.943 1.00 0.00 H new ATOM 0 HG SER A 3 -6.431 -8.084 13.079 1.00 0.00 H new ATOM 51 N ALA A 4 -5.755 -8.476 9.581 1.00 0.00 N ATOM 52 CA ALA A 4 -4.571 -8.536 8.739 1.00 0.00 C ATOM 53 C ALA A 4 -4.853 -7.934 7.370 1.00 0.00 C ATOM 54 O ALA A 4 -4.454 -6.816 7.068 1.00 0.00 O ATOM 55 CB ALA A 4 -4.047 -9.973 8.582 1.00 0.00 C ATOM 0 H ALA A 4 -5.589 -7.934 10.429 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.797 -7.951 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.162 -9.970 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.788 -10.375 9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.819 -10.594 8.128 1.00 0.00 H new ATOM 61 N ALA A 5 -5.552 -8.705 6.549 1.00 0.00 N ATOM 62 CA ALA A 5 -5.683 -8.477 5.127 1.00 0.00 C ATOM 63 C ALA A 5 -6.722 -7.421 4.805 1.00 0.00 C ATOM 64 O ALA A 5 -6.457 -6.542 3.997 1.00 0.00 O ATOM 65 CB ALA A 5 -6.001 -9.788 4.422 1.00 0.00 C ATOM 0 H ALA A 5 -6.057 -9.531 6.870 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.730 -8.095 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.099 -9.611 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.196 -10.501 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.936 -10.192 4.810 1.00 0.00 H new ATOM 71 N ALA A 6 -7.900 -7.474 5.427 1.00 0.00 N ATOM 72 CA ALA A 6 -8.898 -6.428 5.237 1.00 0.00 C ATOM 73 C ALA A 6 -8.315 -5.092 5.688 1.00 0.00 C ATOM 74 O ALA A 6 -8.439 -4.084 4.996 1.00 0.00 O ATOM 75 CB ALA A 6 -10.179 -6.745 6.013 1.00 0.00 C ATOM 0 H ALA A 6 -8.182 -8.223 6.060 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.158 -6.373 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.907 -5.949 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.593 -7.690 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.951 -6.821 7.076 1.00 0.00 H new ATOM 81 N LYS A 7 -7.648 -5.111 6.846 1.00 0.00 N ATOM 82 CA LYS A 7 -6.998 -3.932 7.391 1.00 0.00 C ATOM 83 C LYS A 7 -5.945 -3.415 6.409 1.00 0.00 C ATOM 84 O LYS A 7 -5.971 -2.249 6.017 1.00 0.00 O ATOM 85 CB LYS A 7 -6.380 -4.282 8.749 1.00 0.00 C ATOM 86 CG LYS A 7 -7.443 -4.279 9.854 1.00 0.00 C ATOM 87 CD LYS A 7 -6.845 -4.544 11.244 1.00 0.00 C ATOM 88 CE LYS A 7 -5.772 -3.532 11.676 1.00 0.00 C ATOM 89 NZ LYS A 7 -6.241 -2.139 11.567 1.00 0.00 N ATOM 0 H LYS A 7 -7.548 -5.945 7.425 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.728 -3.136 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.908 -5.263 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.596 -3.564 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.955 -3.317 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.194 -5.038 9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.649 -4.539 11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.410 -5.543 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.478 -3.735 12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.883 -3.663 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.523 -1.499 11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.400 -1.904 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.131 -2.030 12.094 1.00 0.00 H new ATOM 103 N PHE A 8 -5.030 -4.301 6.009 1.00 0.00 N ATOM 104 CA PHE A 8 -3.997 -4.012 5.032 1.00 0.00 C ATOM 105 C PHE A 8 -4.620 -3.382 3.788 1.00 0.00 C ATOM 106 O PHE A 8 -4.272 -2.267 3.428 1.00 0.00 O ATOM 107 CB PHE A 8 -3.233 -5.298 4.690 1.00 0.00 C ATOM 108 CG PHE A 8 -2.088 -5.103 3.718 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.029 -4.233 4.042 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.091 -5.770 2.480 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.004 -3.995 3.112 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.028 -5.585 1.581 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.008 -4.668 1.880 1.00 0.00 C ATOM 0 H PHE A 8 -4.992 -5.256 6.367 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.286 -3.298 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.843 -5.731 5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.932 -6.021 4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.005 -3.748 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.910 -6.424 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.786 -3.296 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.995 -6.148 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.775 -4.480 1.161 1.00 0.00 H new ATOM 123 N GLU A 9 -5.572 -4.075 3.162 1.00 0.00 N ATOM 124 CA GLU A 9 -6.284 -3.634 1.975 1.00 0.00 C ATOM 125 C GLU A 9 -6.835 -2.223 2.180 1.00 0.00 C ATOM 126 O GLU A 9 -6.614 -1.361 1.338 1.00 0.00 O ATOM 127 CB GLU A 9 -7.393 -4.647 1.639 1.00 0.00 C ATOM 128 CG GLU A 9 -8.029 -4.439 0.254 1.00 0.00 C ATOM 129 CD GLU A 9 -7.149 -4.893 -0.914 1.00 0.00 C ATOM 130 OE1 GLU A 9 -5.999 -5.314 -0.661 1.00 0.00 O ATOM 131 OE2 GLU A 9 -7.660 -4.832 -2.053 1.00 0.00 O ATOM 0 H GLU A 9 -5.876 -4.994 3.485 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.600 -3.589 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.979 -5.654 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.172 -4.583 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.974 -4.981 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.263 -3.382 0.129 1.00 0.00 H new ATOM 138 N ARG A 10 -7.523 -1.973 3.300 1.00 0.00 N ATOM 139 CA ARG A 10 -8.091 -0.663 3.598 1.00 0.00 C ATOM 140 C ARG A 10 -7.064 0.454 3.400 1.00 0.00 C ATOM 141 O ARG A 10 -7.361 1.458 2.759 1.00 0.00 O ATOM 142 CB ARG A 10 -8.647 -0.636 5.033 1.00 0.00 C ATOM 143 CG ARG A 10 -9.688 0.472 5.246 1.00 0.00 C ATOM 144 CD ARG A 10 -11.036 0.209 4.558 1.00 0.00 C ATOM 145 NE ARG A 10 -11.730 -0.960 5.123 1.00 0.00 N ATOM 146 CZ ARG A 10 -11.719 -2.211 4.638 1.00 0.00 C ATOM 147 NH1 ARG A 10 -10.971 -2.536 3.578 1.00 0.00 N ATOM 148 NH2 ARG A 10 -12.466 -3.148 5.230 1.00 0.00 N ATOM 0 H ARG A 10 -7.699 -2.674 4.020 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.908 -0.487 2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.099 -1.601 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.824 -0.495 5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.857 0.596 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.281 1.413 4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.671 1.089 4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.873 0.052 3.492 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.275 -0.803 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.395 -1.827 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.976 -3.493 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.036 -2.908 6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.466 -4.103 4.871 1.00 0.00 H new ATOM 162 N GLN A 11 -5.868 0.283 3.965 1.00 0.00 N ATOM 163 CA GLN A 11 -4.817 1.291 3.884 1.00 0.00 C ATOM 164 C GLN A 11 -3.981 1.160 2.603 1.00 0.00 C ATOM 165 O GLN A 11 -3.360 2.129 2.177 1.00 0.00 O ATOM 166 CB GLN A 11 -3.969 1.265 5.162 1.00 0.00 C ATOM 167 CG GLN A 11 -3.193 -0.044 5.366 1.00 0.00 C ATOM 168 CD GLN A 11 -2.320 -0.014 6.614 1.00 0.00 C ATOM 169 OE1 GLN A 11 -1.120 -0.262 6.552 1.00 0.00 O ATOM 170 NE2 GLN A 11 -2.914 0.265 7.771 1.00 0.00 N ATOM 0 H GLN A 11 -5.604 -0.553 4.487 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.284 2.274 3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.262 2.095 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.619 1.428 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.897 -0.873 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.568 -0.232 4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.913 0.468 7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.370 0.276 8.634 1.00 0.00 H new ATOM 179 N HIS A 12 -3.931 -0.030 2.001 1.00 0.00 N ATOM 180 CA HIS A 12 -3.025 -0.357 0.909 1.00 0.00 C ATOM 181 C HIS A 12 -3.663 -0.145 -0.463 1.00 0.00 C ATOM 182 O HIS A 12 -2.947 0.017 -1.445 1.00 0.00 O ATOM 183 CB HIS A 12 -2.531 -1.804 1.046 1.00 0.00 C ATOM 184 CG HIS A 12 -1.481 -2.189 0.031 1.00 0.00 C ATOM 185 ND1 HIS A 12 -0.398 -1.417 -0.344 1.00 0.00 N ATOM 186 CD2 HIS A 12 -1.452 -3.342 -0.704 1.00 0.00 C ATOM 187 CE1 HIS A 12 0.302 -2.109 -1.260 1.00 0.00 C ATOM 188 NE2 HIS A 12 -0.320 -3.280 -1.494 1.00 0.00 N ATOM 0 H HIS A 12 -4.535 -0.807 2.269 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.178 0.326 0.978 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.124 -1.946 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.381 -2.479 0.949 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -0.170 -0.488 0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.174 -4.145 -0.673 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.216 -1.779 -1.732 1.00 0.00 H new ATOM 197 N MET A 13 -4.991 -0.192 -0.567 1.00 0.00 N ATOM 198 CA MET A 13 -5.697 -0.196 -1.839 1.00 0.00 C ATOM 199 C MET A 13 -6.651 0.989 -1.916 1.00 0.00 C ATOM 200 O MET A 13 -7.421 1.245 -0.992 1.00 0.00 O ATOM 201 CB MET A 13 -6.384 -1.558 -2.009 1.00 0.00 C ATOM 202 CG MET A 13 -7.189 -1.697 -3.304 1.00 0.00 C ATOM 203 SD MET A 13 -8.900 -1.119 -3.195 1.00 0.00 S ATOM 204 CE MET A 13 -9.506 -1.746 -4.771 1.00 0.00 C ATOM 0 H MET A 13 -5.610 -0.229 0.243 1.00 0.00 H new ATOM 0 HA MET A 13 -5.008 -0.071 -2.674 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.626 -2.341 -1.980 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.049 -1.726 -1.161 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.682 -1.142 -4.093 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.192 -2.745 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.346 -1.137 -5.106 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.707 -1.702 -5.512 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.832 -2.779 -4.650 1.00 0.00 H new ATOM 214 N ASP A 14 -6.576 1.713 -3.033 1.00 0.00 N ATOM 215 CA ASP A 14 -7.513 2.738 -3.445 1.00 0.00 C ATOM 216 C ASP A 14 -7.955 2.375 -4.867 1.00 0.00 C ATOM 217 O ASP A 14 -7.441 1.427 -5.461 1.00 0.00 O ATOM 218 CB ASP A 14 -6.814 4.110 -3.377 1.00 0.00 C ATOM 219 CG ASP A 14 -7.714 5.285 -3.765 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.935 5.175 -3.522 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.167 6.274 -4.300 1.00 0.00 O ATOM 0 H ASP A 14 -5.818 1.588 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.389 2.797 -2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.443 4.268 -2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.946 4.097 -4.036 1.00 0.00 H new ATOM 226 N SER A 15 -8.894 3.126 -5.436 1.00 0.00 N ATOM 227 CA SER A 15 -9.278 2.974 -6.824 1.00 0.00 C ATOM 228 C SER A 15 -9.939 4.272 -7.280 1.00 0.00 C ATOM 229 O SER A 15 -10.362 5.088 -6.463 1.00 0.00 O ATOM 230 CB SER A 15 -10.196 1.754 -6.981 1.00 0.00 C ATOM 231 OG SER A 15 -11.291 1.834 -6.086 1.00 0.00 O ATOM 0 H SER A 15 -9.407 3.856 -4.942 1.00 0.00 H new ATOM 0 HA SER A 15 -8.409 2.792 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.561 1.697 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.631 0.841 -6.792 1.00 0.00 H new ATOM 0 HG SER A 15 -11.866 1.049 -6.202 1.00 0.00 H new ATOM 237 N GLY A 16 -9.974 4.491 -8.595 1.00 0.00 N ATOM 238 CA GLY A 16 -10.657 5.602 -9.254 1.00 0.00 C ATOM 239 C GLY A 16 -9.946 6.951 -9.126 1.00 0.00 C ATOM 240 O GLY A 16 -9.792 7.662 -10.115 1.00 0.00 O ATOM 0 H GLY A 16 -9.507 3.872 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.772 5.365 -10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.660 5.694 -8.837 1.00 0.00 H new ATOM 244 N ASN A 17 -9.415 7.251 -7.946 1.00 0.00 N ATOM 245 CA ASN A 17 -8.521 8.382 -7.712 1.00 0.00 C ATOM 246 C ASN A 17 -7.099 7.906 -7.986 1.00 0.00 C ATOM 247 O ASN A 17 -6.808 6.731 -7.762 1.00 0.00 O ATOM 248 CB ASN A 17 -8.659 8.892 -6.272 1.00 0.00 C ATOM 249 CG ASN A 17 -9.022 10.371 -6.201 1.00 0.00 C ATOM 250 OD1 ASN A 17 -10.129 10.718 -5.809 1.00 0.00 O ATOM 251 ND2 ASN A 17 -8.114 11.274 -6.564 1.00 0.00 N ATOM 0 H ASN A 17 -9.598 6.703 -7.105 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.775 9.212 -8.371 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.423 8.310 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.721 8.727 -5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.337 12.268 -6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.196 10.972 -6.889 1.00 0.00 H new ATOM 258 N SER A 18 -6.247 8.798 -8.502 1.00 0.00 N ATOM 259 CA SER A 18 -4.902 8.549 -9.020 1.00 0.00 C ATOM 260 C SER A 18 -4.539 9.640 -10.035 1.00 0.00 C ATOM 261 O SER A 18 -3.541 10.333 -9.815 1.00 0.00 O ATOM 262 CB SER A 18 -4.733 7.136 -9.583 1.00 0.00 C ATOM 263 OG SER A 18 -3.548 7.031 -10.339 1.00 0.00 O ATOM 0 H SER A 18 -6.500 9.784 -8.573 1.00 0.00 H new ATOM 0 HA SER A 18 -4.198 8.600 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.712 6.415 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.590 6.885 -10.207 1.00 0.00 H new ATOM 0 HG SER A 18 -2.800 6.807 -9.746 1.00 0.00 H new ATOM 269 N PRO A 19 -5.325 9.845 -11.115 1.00 0.00 N ATOM 270 CA PRO A 19 -5.181 11.017 -11.968 1.00 0.00 C ATOM 271 C PRO A 19 -5.665 12.238 -11.179 1.00 0.00 C ATOM 272 O PRO A 19 -6.759 12.757 -11.395 1.00 0.00 O ATOM 273 CB PRO A 19 -6.032 10.732 -13.210 1.00 0.00 C ATOM 274 CG PRO A 19 -7.144 9.841 -12.662 1.00 0.00 C ATOM 275 CD PRO A 19 -6.421 9.011 -11.601 1.00 0.00 C ATOM 0 HA PRO A 19 -4.155 11.222 -12.275 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.427 11.648 -13.648 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.457 10.229 -13.987 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.957 10.427 -12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.579 9.213 -13.439 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.096 8.742 -10.789 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.045 8.080 -12.024 1.00 0.00 H new ATOM 283 N SER A 20 -4.850 12.662 -10.217 1.00 0.00 N ATOM 284 CA SER A 20 -5.143 13.629 -9.203 1.00 0.00 C ATOM 285 C SER A 20 -3.790 14.131 -8.695 1.00 0.00 C ATOM 286 O SER A 20 -2.745 13.637 -9.118 1.00 0.00 O ATOM 287 CB SER A 20 -5.983 12.941 -8.118 1.00 0.00 C ATOM 288 OG SER A 20 -5.692 11.555 -7.954 1.00 0.00 O ATOM 0 H SER A 20 -3.900 12.301 -10.134 1.00 0.00 H new ATOM 0 HA SER A 20 -5.723 14.481 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.820 13.451 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.039 13.054 -8.364 1.00 0.00 H new ATOM 0 HG SER A 20 -5.113 11.433 -7.173 1.00 0.00 H new ATOM 294 N SER A 21 -3.826 15.132 -7.825 1.00 0.00 N ATOM 295 CA SER A 21 -2.706 15.897 -7.348 1.00 0.00 C ATOM 296 C SER A 21 -1.599 15.059 -6.719 1.00 0.00 C ATOM 297 O SER A 21 -1.755 13.882 -6.398 1.00 0.00 O ATOM 298 CB SER A 21 -3.268 16.887 -6.316 1.00 0.00 C ATOM 299 OG SER A 21 -4.545 17.336 -6.743 1.00 0.00 O ATOM 0 H SER A 21 -4.705 15.444 -7.412 1.00 0.00 H new ATOM 0 HA SER A 21 -2.234 16.391 -8.197 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.346 16.408 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.592 17.734 -6.202 1.00 0.00 H new ATOM 0 HG SER A 21 -4.907 17.966 -6.086 1.00 0.00 H new ATOM 305 N SER A 22 -0.489 15.748 -6.484 1.00 0.00 N ATOM 306 CA SER A 22 0.637 15.272 -5.695 1.00 0.00 C ATOM 307 C SER A 22 0.260 15.336 -4.204 1.00 0.00 C ATOM 308 O SER A 22 -0.880 15.033 -3.867 1.00 0.00 O ATOM 309 CB SER A 22 1.879 16.096 -6.069 1.00 0.00 C ATOM 310 OG SER A 22 1.945 16.223 -7.477 1.00 0.00 O ATOM 0 H SER A 22 -0.345 16.688 -6.852 1.00 0.00 H new ATOM 0 HA SER A 22 0.879 14.230 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.830 17.081 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.779 15.610 -5.693 1.00 0.00 H new ATOM 0 HG SER A 22 2.735 16.749 -7.721 1.00 0.00 H new ATOM 316 N SER A 23 1.186 15.750 -3.323 1.00 0.00 N ATOM 317 CA SER A 23 1.065 15.773 -1.858 1.00 0.00 C ATOM 318 C SER A 23 -0.381 15.805 -1.342 1.00 0.00 C ATOM 319 O SER A 23 -0.823 14.883 -0.656 1.00 0.00 O ATOM 320 CB SER A 23 1.874 16.967 -1.318 1.00 0.00 C ATOM 321 OG SER A 23 1.729 17.078 0.082 1.00 0.00 O ATOM 0 H SER A 23 2.093 16.098 -3.634 1.00 0.00 H new ATOM 0 HA SER A 23 1.468 14.832 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.927 16.843 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.538 17.887 -1.797 1.00 0.00 H new ATOM 0 HG SER A 23 1.935 16.217 0.502 1.00 0.00 H new ATOM 327 N ASN A 24 -1.129 16.851 -1.709 1.00 0.00 N ATOM 328 CA ASN A 24 -2.489 17.090 -1.237 1.00 0.00 C ATOM 329 C ASN A 24 -3.406 15.877 -1.375 1.00 0.00 C ATOM 330 O ASN A 24 -4.215 15.640 -0.486 1.00 0.00 O ATOM 331 CB ASN A 24 -3.108 18.304 -1.942 1.00 0.00 C ATOM 332 CG ASN A 24 -2.397 19.604 -1.581 1.00 0.00 C ATOM 333 OD1 ASN A 24 -2.188 19.899 -0.410 1.00 0.00 O ATOM 334 ND2 ASN A 24 -1.999 20.389 -2.578 1.00 0.00 N ATOM 0 H ASN A 24 -0.796 17.567 -2.355 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.401 17.294 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.065 18.156 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.161 18.381 -1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.507 21.260 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.185 20.120 -3.544 1.00 0.00 H new ATOM 341 N TYR A 25 -3.283 15.105 -2.457 1.00 0.00 N ATOM 342 CA TYR A 25 -4.016 13.857 -2.635 1.00 0.00 C ATOM 343 C TYR A 25 -3.819 12.973 -1.407 1.00 0.00 C ATOM 344 O TYR A 25 -4.773 12.482 -0.809 1.00 0.00 O ATOM 345 CB TYR A 25 -3.470 13.156 -3.889 1.00 0.00 C ATOM 346 CG TYR A 25 -4.031 11.801 -4.296 1.00 0.00 C ATOM 347 CD1 TYR A 25 -5.294 11.340 -3.872 1.00 0.00 C ATOM 348 CD2 TYR A 25 -3.253 10.991 -5.145 1.00 0.00 C ATOM 349 CE1 TYR A 25 -5.730 10.048 -4.223 1.00 0.00 C ATOM 350 CE2 TYR A 25 -3.687 9.702 -5.492 1.00 0.00 C ATOM 351 CZ TYR A 25 -4.903 9.210 -4.993 1.00 0.00 C ATOM 352 OH TYR A 25 -5.256 7.923 -5.274 1.00 0.00 O ATOM 0 H TYR A 25 -2.667 15.333 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.082 14.051 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.613 13.834 -4.730 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.395 13.037 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.929 11.979 -3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.316 11.364 -5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.700 9.700 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.084 9.088 -6.144 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.010 7.659 -4.706 1.00 0.00 H new ATOM 362 N CYS A 26 -2.561 12.774 -1.028 1.00 0.00 N ATOM 363 CA CYS A 26 -2.223 11.794 -0.006 1.00 0.00 C ATOM 364 C CYS A 26 -2.405 12.367 1.395 1.00 0.00 C ATOM 365 O CYS A 26 -2.853 11.666 2.299 1.00 0.00 O ATOM 366 CB CYS A 26 -0.848 11.182 -0.247 1.00 0.00 C ATOM 367 SG CYS A 26 -0.816 9.480 0.353 1.00 0.00 S ATOM 0 H CYS A 26 -1.762 13.277 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.927 10.966 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.612 11.206 -1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.085 11.770 0.262 1.00 0.00 H new ATOM 372 N ASN A 27 -2.124 13.660 1.573 1.00 0.00 N ATOM 373 CA ASN A 27 -2.487 14.378 2.791 1.00 0.00 C ATOM 374 C ASN A 27 -3.997 14.261 3.026 1.00 0.00 C ATOM 375 O ASN A 27 -4.436 13.959 4.135 1.00 0.00 O ATOM 376 CB ASN A 27 -2.050 15.851 2.703 1.00 0.00 C ATOM 377 CG ASN A 27 -0.992 16.199 3.743 1.00 0.00 C ATOM 378 OD1 ASN A 27 0.167 16.410 3.403 1.00 0.00 O ATOM 379 ND2 ASN A 27 -1.373 16.266 5.018 1.00 0.00 N ATOM 0 H ASN A 27 -1.642 14.233 0.881 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.967 13.931 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.658 16.053 1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.919 16.495 2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.693 16.498 5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.345 16.085 5.270 1.00 0.00 H new ATOM 386 N LEU A 28 -4.795 14.480 1.974 1.00 0.00 N ATOM 387 CA LEU A 28 -6.238 14.300 2.023 1.00 0.00 C ATOM 388 C LEU A 28 -6.574 12.862 2.407 1.00 0.00 C ATOM 389 O LEU A 28 -7.372 12.659 3.317 1.00 0.00 O ATOM 390 CB LEU A 28 -6.887 14.707 0.690 1.00 0.00 C ATOM 391 CG LEU A 28 -8.386 14.375 0.612 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.203 15.148 1.654 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.903 14.713 -0.791 1.00 0.00 C ATOM 0 H LEU A 28 -4.450 14.788 1.065 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.651 14.955 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.752 15.778 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.368 14.204 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.505 13.312 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.256 14.882 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.851 14.894 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.084 16.219 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.966 14.480 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.752 15.774 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.359 14.126 -1.531 1.00 0.00 H new ATOM 405 N MET A 29 -5.983 11.866 1.738 1.00 0.00 N ATOM 406 CA MET A 29 -6.203 10.469 2.103 1.00 0.00 C ATOM 407 C MET A 29 -5.951 10.257 3.597 1.00 0.00 C ATOM 408 O MET A 29 -6.811 9.721 4.284 1.00 0.00 O ATOM 409 CB MET A 29 -5.337 9.522 1.264 1.00 0.00 C ATOM 410 CG MET A 29 -5.794 9.471 -0.198 1.00 0.00 C ATOM 411 SD MET A 29 -4.573 8.771 -1.335 1.00 0.00 S ATOM 412 CE MET A 29 -5.386 7.210 -1.728 1.00 0.00 C ATOM 0 H MET A 29 -5.354 12.003 0.947 1.00 0.00 H new ATOM 0 HA MET A 29 -7.245 10.232 1.890 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.297 9.847 1.308 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.376 8.520 1.691 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.710 8.883 -0.260 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.041 10.481 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.776 6.651 -2.438 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.510 6.625 -0.817 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.363 7.409 -2.167 1.00 0.00 H new ATOM 422 N MET A 30 -4.799 10.691 4.111 1.00 0.00 N ATOM 423 CA MET A 30 -4.462 10.563 5.526 1.00 0.00 C ATOM 424 C MET A 30 -5.529 11.214 6.414 1.00 0.00 C ATOM 425 O MET A 30 -5.998 10.601 7.375 1.00 0.00 O ATOM 426 CB MET A 30 -3.083 11.179 5.791 1.00 0.00 C ATOM 427 CG MET A 30 -1.900 10.341 5.292 1.00 0.00 C ATOM 428 SD MET A 30 -1.577 8.794 6.186 1.00 0.00 S ATOM 429 CE MET A 30 -2.313 7.577 5.070 1.00 0.00 C ATOM 0 H MET A 30 -4.073 11.142 3.555 1.00 0.00 H new ATOM 0 HA MET A 30 -4.430 9.503 5.778 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.041 12.160 5.317 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.971 11.338 6.864 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.069 10.101 4.242 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.001 10.956 5.337 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.692 6.735 5.649 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.133 8.037 4.519 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.558 7.224 4.368 1.00 0.00 H new ATOM 439 N CYS A 31 -5.903 12.455 6.093 1.00 0.00 N ATOM 440 CA CYS A 31 -6.918 13.201 6.830 1.00 0.00 C ATOM 441 C CYS A 31 -8.255 12.454 6.846 1.00 0.00 C ATOM 442 O CYS A 31 -8.818 12.209 7.907 1.00 0.00 O ATOM 443 CB CYS A 31 -7.082 14.597 6.226 1.00 0.00 C ATOM 444 SG CYS A 31 -8.413 15.443 7.110 1.00 0.00 S ATOM 0 H CYS A 31 -5.505 12.971 5.308 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.587 13.301 7.864 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.152 15.159 6.311 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.316 14.526 5.164 1.00 0.00 H new ATOM 0 HG CYS A 31 -8.572 16.635 6.617 1.00 0.00 H new ATOM 450 N CYS A 32 -8.749 12.065 5.670 1.00 0.00 N ATOM 451 CA CYS A 32 -10.009 11.347 5.503 1.00 0.00 C ATOM 452 C CYS A 32 -9.982 10.008 6.243 1.00 0.00 C ATOM 453 O CYS A 32 -10.901 9.676 6.986 1.00 0.00 O ATOM 454 CB CYS A 32 -10.275 11.134 4.011 1.00 0.00 C ATOM 455 SG CYS A 32 -11.783 10.154 3.830 1.00 0.00 S ATOM 0 H CYS A 32 -8.271 12.246 4.787 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.815 11.942 5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.384 12.093 3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.433 10.622 3.546 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.028 9.963 2.568 1.00 0.00 H new ATOM 461 N ARG A 33 -8.896 9.252 6.056 1.00 0.00 N ATOM 462 CA ARG A 33 -8.640 7.999 6.753 1.00 0.00 C ATOM 463 C ARG A 33 -8.521 8.238 8.265 1.00 0.00 C ATOM 464 O ARG A 33 -8.731 7.319 9.054 1.00 0.00 O ATOM 465 CB ARG A 33 -7.366 7.360 6.175 1.00 0.00 C ATOM 466 CG ARG A 33 -7.265 5.846 6.412 1.00 0.00 C ATOM 467 CD ARG A 33 -8.138 5.037 5.442 1.00 0.00 C ATOM 468 NE ARG A 33 -7.720 5.229 4.044 1.00 0.00 N ATOM 469 CZ ARG A 33 -8.264 4.598 2.994 1.00 0.00 C ATOM 470 NH1 ARG A 33 -9.279 3.747 3.172 1.00 0.00 N ATOM 471 NH2 ARG A 33 -7.788 4.819 1.765 1.00 0.00 N ATOM 0 H ARG A 33 -8.157 9.504 5.400 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.474 7.313 6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.329 7.553 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.496 7.846 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.226 5.534 6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.563 5.622 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.081 3.979 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.180 5.336 5.555 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.963 5.888 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.642 3.576 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.690 3.269 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.012 5.467 1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.200 4.340 0.965 1.00 0.00 H new ATOM 485 N LYS A 34 -8.179 9.468 8.663 1.00 0.00 N ATOM 486 CA LYS A 34 -8.135 9.936 10.039 1.00 0.00 C ATOM 487 C LYS A 34 -6.923 9.327 10.749 1.00 0.00 C ATOM 488 O LYS A 34 -6.968 8.996 11.932 1.00 0.00 O ATOM 489 CB LYS A 34 -9.502 9.697 10.718 1.00 0.00 C ATOM 490 CG LYS A 34 -10.014 10.908 11.515 1.00 0.00 C ATOM 491 CD LYS A 34 -9.205 11.279 12.766 1.00 0.00 C ATOM 492 CE LYS A 34 -9.538 10.421 13.994 1.00 0.00 C ATOM 493 NZ LYS A 34 -9.067 9.031 13.862 1.00 0.00 N ATOM 0 H LYS A 34 -7.914 10.194 7.997 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.983 11.014 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.236 9.438 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.421 8.840 11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.036 11.772 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.043 10.711 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.143 11.181 12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.385 12.327 13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.087 10.870 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.617 10.421 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.653 8.718 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.868 8.415 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.347 8.978 13.113 1.00 0.00 H new ATOM 507 N MET A 35 -5.809 9.223 10.014 1.00 0.00 N ATOM 508 CA MET A 35 -4.578 8.584 10.474 1.00 0.00 C ATOM 509 C MET A 35 -3.526 9.626 10.879 1.00 0.00 C ATOM 510 O MET A 35 -2.326 9.348 10.862 1.00 0.00 O ATOM 511 CB MET A 35 -4.089 7.621 9.381 1.00 0.00 C ATOM 512 CG MET A 35 -5.065 6.448 9.207 1.00 0.00 C ATOM 513 SD MET A 35 -5.229 5.353 10.644 1.00 0.00 S ATOM 514 CE MET A 35 -6.561 4.275 10.079 1.00 0.00 C ATOM 0 H MET A 35 -5.741 9.589 9.064 1.00 0.00 H new ATOM 0 HA MET A 35 -4.769 8.004 11.377 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.987 8.157 8.438 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.101 7.242 9.641 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.049 6.849 8.963 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.743 5.853 8.353 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.786 3.539 10.851 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.451 4.871 9.876 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.252 3.762 9.168 1.00 0.00 H new ATOM 524 N THR A 36 -3.991 10.817 11.267 1.00 0.00 N ATOM 525 CA THR A 36 -3.197 11.947 11.728 1.00 0.00 C ATOM 526 C THR A 36 -3.654 12.393 13.125 1.00 0.00 C ATOM 527 O THR A 36 -3.412 13.530 13.531 1.00 0.00 O ATOM 528 CB THR A 36 -3.355 13.074 10.697 1.00 0.00 C ATOM 529 OG1 THR A 36 -4.727 13.196 10.363 1.00 0.00 O ATOM 530 CG2 THR A 36 -2.573 12.739 9.426 1.00 0.00 C ATOM 0 H THR A 36 -4.990 11.025 11.266 1.00 0.00 H new ATOM 0 HA THR A 36 -2.146 11.671 11.815 1.00 0.00 H new ATOM 0 HB THR A 36 -2.976 14.004 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.841 13.914 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.692 13.545 8.702 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.517 12.623 9.669 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.952 11.810 9.000 1.00 0.00 H new ATOM 538 N GLN A 37 -4.342 11.516 13.862 1.00 0.00 N ATOM 539 CA GLN A 37 -4.906 11.840 15.164 1.00 0.00 C ATOM 540 C GLN A 37 -3.788 12.034 16.194 1.00 0.00 C ATOM 541 O GLN A 37 -3.428 11.105 16.917 1.00 0.00 O ATOM 542 CB GLN A 37 -5.904 10.747 15.575 1.00 0.00 C ATOM 543 CG GLN A 37 -6.674 11.134 16.847 1.00 0.00 C ATOM 544 CD GLN A 37 -7.717 10.094 17.249 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.892 9.074 16.591 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.440 10.353 18.335 1.00 0.00 N ATOM 0 H GLN A 37 -4.521 10.557 13.565 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.451 12.782 15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.608 10.572 14.762 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.371 9.811 15.742 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.968 11.269 17.666 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.167 12.094 16.690 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.275 11.209 18.865 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.159 9.696 18.637 1.00 0.00 H new ATOM 555 N GLY A 38 -3.227 13.242 16.271 1.00 0.00 N ATOM 556 CA GLY A 38 -2.218 13.591 17.264 1.00 0.00 C ATOM 557 C GLY A 38 -0.840 13.108 16.820 1.00 0.00 C ATOM 558 O GLY A 38 0.105 13.889 16.769 1.00 0.00 O ATOM 0 H GLY A 38 -3.464 14.008 15.641 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.201 14.671 17.410 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.475 13.144 18.224 1.00 0.00 H new ATOM 562 N LYS A 39 -0.730 11.819 16.500 1.00 0.00 N ATOM 563 CA LYS A 39 0.421 11.246 15.824 1.00 0.00 C ATOM 564 C LYS A 39 -0.002 10.868 14.406 1.00 0.00 C ATOM 565 O LYS A 39 -1.195 10.801 14.106 1.00 0.00 O ATOM 566 CB LYS A 39 0.991 10.076 16.628 1.00 0.00 C ATOM 567 CG LYS A 39 1.453 10.577 18.003 1.00 0.00 C ATOM 568 CD LYS A 39 2.231 9.495 18.760 1.00 0.00 C ATOM 569 CE LYS A 39 2.711 10.052 20.106 1.00 0.00 C ATOM 570 NZ LYS A 39 3.496 9.055 20.854 1.00 0.00 N ATOM 0 H LYS A 39 -1.456 11.134 16.710 1.00 0.00 H new ATOM 0 HA LYS A 39 1.235 11.968 15.751 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.235 9.300 16.747 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.828 9.626 16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.081 11.459 17.878 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.587 10.883 18.590 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.597 8.623 18.921 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.084 9.164 18.167 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.317 10.942 19.937 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.851 10.360 20.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.805 9.464 21.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.909 8.216 21.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.329 8.780 20.296 1.00 0.00 H new ATOM 584 N CYS A 40 0.982 10.670 13.528 1.00 0.00 N ATOM 585 CA CYS A 40 0.787 10.570 12.088 1.00 0.00 C ATOM 586 C CYS A 40 1.571 9.359 11.598 1.00 0.00 C ATOM 587 O CYS A 40 2.762 9.251 11.889 1.00 0.00 O ATOM 588 CB CYS A 40 1.269 11.879 11.444 1.00 0.00 C ATOM 589 SG CYS A 40 0.350 13.342 12.006 1.00 0.00 S ATOM 0 H CYS A 40 1.958 10.573 13.809 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.260 10.433 11.818 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.327 12.016 11.667 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.179 11.797 10.361 1.00 0.00 H new ATOM 594 N LYS A 41 0.907 8.421 10.914 1.00 0.00 N ATOM 595 CA LYS A 41 1.559 7.197 10.452 1.00 0.00 C ATOM 596 C LYS A 41 2.723 7.553 9.515 1.00 0.00 C ATOM 597 O LYS A 41 2.563 8.429 8.669 1.00 0.00 O ATOM 598 CB LYS A 41 0.545 6.282 9.750 1.00 0.00 C ATOM 599 CG LYS A 41 -0.233 5.378 10.720 1.00 0.00 C ATOM 600 CD LYS A 41 -1.005 6.154 11.793 1.00 0.00 C ATOM 601 CE LYS A 41 -1.904 5.207 12.594 1.00 0.00 C ATOM 602 NZ LYS A 41 -2.726 5.947 13.566 1.00 0.00 N ATOM 0 H LYS A 41 -0.081 8.489 10.670 1.00 0.00 H new ATOM 0 HA LYS A 41 1.957 6.656 11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.161 6.896 9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.069 5.659 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.933 4.766 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.464 4.696 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.306 6.655 12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.610 6.931 11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.551 4.653 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.290 4.474 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.324 5.280 14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.106 6.455 14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.329 6.629 13.063 1.00 0.00 H new ATOM 616 N PRO A 42 3.889 6.898 9.638 1.00 0.00 N ATOM 617 CA PRO A 42 5.105 7.319 8.960 1.00 0.00 C ATOM 618 C PRO A 42 4.999 7.225 7.435 1.00 0.00 C ATOM 619 O PRO A 42 5.223 8.215 6.739 1.00 0.00 O ATOM 620 CB PRO A 42 6.223 6.432 9.526 1.00 0.00 C ATOM 621 CG PRO A 42 5.497 5.201 10.069 1.00 0.00 C ATOM 622 CD PRO A 42 4.150 5.768 10.516 1.00 0.00 C ATOM 0 HA PRO A 42 5.306 8.375 9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.943 6.160 8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.777 6.945 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.378 4.432 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.039 4.746 10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.363 5.018 10.434 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.184 6.082 11.559 1.00 0.00 H new ATOM 630 N VAL A 43 4.677 6.034 6.925 1.00 0.00 N ATOM 631 CA VAL A 43 4.674 5.697 5.511 1.00 0.00 C ATOM 632 C VAL A 43 3.389 4.933 5.183 1.00 0.00 C ATOM 633 O VAL A 43 2.825 4.288 6.068 1.00 0.00 O ATOM 634 CB VAL A 43 5.949 4.882 5.217 1.00 0.00 C ATOM 635 CG1 VAL A 43 5.906 3.467 5.812 1.00 0.00 C ATOM 636 CG2 VAL A 43 6.268 4.796 3.719 1.00 0.00 C ATOM 0 H VAL A 43 4.401 5.250 7.516 1.00 0.00 H new ATOM 0 HA VAL A 43 4.686 6.584 4.878 1.00 0.00 H new ATOM 0 HB VAL A 43 6.748 5.436 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.831 2.943 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.796 3.531 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.060 2.922 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.176 4.210 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.439 4.317 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.416 5.800 3.320 1.00 0.00 H new ATOM 646 N ASN A 44 2.938 4.982 3.926 1.00 0.00 N ATOM 647 CA ASN A 44 1.823 4.181 3.432 1.00 0.00 C ATOM 648 C ASN A 44 1.978 3.995 1.921 1.00 0.00 C ATOM 649 O ASN A 44 2.758 4.715 1.303 1.00 0.00 O ATOM 650 CB ASN A 44 0.491 4.858 3.784 1.00 0.00 C ATOM 651 CG ASN A 44 -0.678 3.917 3.518 1.00 0.00 C ATOM 652 OD1 ASN A 44 -0.917 2.994 4.288 1.00 0.00 O ATOM 653 ND2 ASN A 44 -1.391 4.104 2.415 1.00 0.00 N ATOM 0 H ASN A 44 3.346 5.590 3.215 1.00 0.00 H new ATOM 0 HA ASN A 44 1.826 3.200 3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.494 5.155 4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.373 5.768 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.159 3.471 2.191 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.171 4.880 1.791 1.00 0.00 H new ATOM 660 N THR A 45 1.254 3.052 1.312 1.00 0.00 N ATOM 661 CA THR A 45 1.361 2.770 -0.113 1.00 0.00 C ATOM 662 C THR A 45 -0.021 2.455 -0.672 1.00 0.00 C ATOM 663 O THR A 45 -0.512 1.355 -0.441 1.00 0.00 O ATOM 664 CB THR A 45 2.336 1.599 -0.330 1.00 0.00 C ATOM 665 OG1 THR A 45 3.521 1.782 0.421 1.00 0.00 O ATOM 666 CG2 THR A 45 2.682 1.436 -1.814 1.00 0.00 C ATOM 0 H THR A 45 0.577 2.464 1.799 1.00 0.00 H new ATOM 0 HA THR A 45 1.751 3.640 -0.642 1.00 0.00 H new ATOM 0 HB THR A 45 1.839 0.692 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.106 2.419 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.372 0.601 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.772 1.240 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.149 2.350 -2.181 1.00 0.00 H new ATOM 674 N PHE A 46 -0.639 3.392 -1.402 1.00 0.00 N ATOM 675 CA PHE A 46 -1.963 3.196 -1.984 1.00 0.00 C ATOM 676 C PHE A 46 -1.840 2.697 -3.428 1.00 0.00 C ATOM 677 O PHE A 46 -1.342 3.419 -4.287 1.00 0.00 O ATOM 678 CB PHE A 46 -2.768 4.498 -1.931 1.00 0.00 C ATOM 679 CG PHE A 46 -3.099 4.993 -0.536 1.00 0.00 C ATOM 680 CD1 PHE A 46 -4.076 4.326 0.227 1.00 0.00 C ATOM 681 CD2 PHE A 46 -2.522 6.179 -0.044 1.00 0.00 C ATOM 682 CE1 PHE A 46 -4.475 4.842 1.472 1.00 0.00 C ATOM 683 CE2 PHE A 46 -2.953 6.714 1.183 1.00 0.00 C ATOM 684 CZ PHE A 46 -3.935 6.053 1.936 1.00 0.00 C ATOM 0 H PHE A 46 -0.231 4.305 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.492 2.442 -1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.208 5.275 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.699 4.354 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.520 3.415 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.748 6.678 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.197 4.308 2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.527 7.637 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.275 6.474 2.870 1.00 0.00 H new ATOM 694 N VAL A 47 -2.300 1.478 -3.704 1.00 0.00 N ATOM 695 CA VAL A 47 -2.408 0.896 -5.036 1.00 0.00 C ATOM 696 C VAL A 47 -3.648 1.469 -5.731 1.00 0.00 C ATOM 697 O VAL A 47 -4.658 1.684 -5.065 1.00 0.00 O ATOM 698 CB VAL A 47 -2.521 -0.637 -4.896 1.00 0.00 C ATOM 699 CG1 VAL A 47 -2.665 -1.331 -6.255 1.00 0.00 C ATOM 700 CG2 VAL A 47 -1.311 -1.240 -4.170 1.00 0.00 C ATOM 0 H VAL A 47 -2.621 0.844 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.529 1.135 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.421 -0.810 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.741 -2.408 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.563 -0.969 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.793 -1.110 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.433 -2.320 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.403 -1.016 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.236 -0.812 -3.170 1.00 0.00 H new ATOM 710 N HIS A 48 -3.593 1.684 -7.052 1.00 0.00 N ATOM 711 CA HIS A 48 -4.745 2.018 -7.893 1.00 0.00 C ATOM 712 C HIS A 48 -4.995 0.848 -8.851 1.00 0.00 C ATOM 713 O HIS A 48 -4.527 0.871 -9.984 1.00 0.00 O ATOM 714 CB HIS A 48 -4.450 3.326 -8.645 1.00 0.00 C ATOM 715 CG HIS A 48 -5.528 3.743 -9.620 1.00 0.00 C ATOM 716 ND1 HIS A 48 -6.637 4.518 -9.334 1.00 0.00 N ATOM 717 CD2 HIS A 48 -5.528 3.493 -10.964 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.299 4.724 -10.488 1.00 0.00 C ATOM 719 NE2 HIS A 48 -6.649 4.100 -11.487 1.00 0.00 N ATOM 0 H HIS A 48 -2.721 1.628 -7.578 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.644 2.173 -7.297 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.307 4.125 -7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.510 3.216 -9.186 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.905 4.870 -8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.789 2.927 -11.512 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.207 5.299 -10.595 1.00 0.00 H new ATOM 728 N GLU A 49 -5.718 -0.183 -8.400 1.00 0.00 N ATOM 729 CA GLU A 49 -6.197 -1.297 -9.219 1.00 0.00 C ATOM 730 C GLU A 49 -7.566 -1.743 -8.683 1.00 0.00 C ATOM 731 O GLU A 49 -8.184 -1.005 -7.918 1.00 0.00 O ATOM 732 CB GLU A 49 -5.189 -2.459 -9.205 1.00 0.00 C ATOM 733 CG GLU A 49 -3.788 -2.115 -9.729 1.00 0.00 C ATOM 734 CD GLU A 49 -3.750 -1.661 -11.188 1.00 0.00 C ATOM 735 OE1 GLU A 49 -4.641 -2.098 -11.949 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.809 -0.906 -11.520 1.00 0.00 O ATOM 0 H GLU A 49 -5.994 -0.266 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.300 -0.976 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.097 -2.827 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.593 -3.276 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.364 -1.328 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.147 -2.990 -9.617 1.00 0.00 H new ATOM 743 N SER A 50 -8.044 -2.935 -9.064 1.00 0.00 N ATOM 744 CA SER A 50 -9.314 -3.499 -8.627 1.00 0.00 C ATOM 745 C SER A 50 -9.090 -4.704 -7.704 1.00 0.00 C ATOM 746 O SER A 50 -8.116 -5.445 -7.846 1.00 0.00 O ATOM 747 CB SER A 50 -10.124 -3.892 -9.867 1.00 0.00 C ATOM 748 OG SER A 50 -9.357 -4.751 -10.690 1.00 0.00 O ATOM 0 H SER A 50 -7.537 -3.546 -9.704 1.00 0.00 H new ATOM 0 HA SER A 50 -9.868 -2.757 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.047 -4.389 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.409 -2.999 -10.424 1.00 0.00 H new ATOM 0 HG SER A 50 -9.880 -5.000 -11.480 1.00 0.00 H new ATOM 754 N LEU A 51 -10.019 -4.914 -6.767 1.00 0.00 N ATOM 755 CA LEU A 51 -9.963 -5.986 -5.777 1.00 0.00 C ATOM 756 C LEU A 51 -9.706 -7.344 -6.439 1.00 0.00 C ATOM 757 O LEU A 51 -8.831 -8.100 -6.020 1.00 0.00 O ATOM 758 CB LEU A 51 -11.277 -5.983 -4.980 1.00 0.00 C ATOM 759 CG LEU A 51 -11.331 -7.011 -3.836 1.00 0.00 C ATOM 760 CD1 LEU A 51 -10.297 -6.698 -2.749 1.00 0.00 C ATOM 761 CD2 LEU A 51 -12.732 -6.995 -3.214 1.00 0.00 C ATOM 0 H LEU A 51 -10.849 -4.328 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.129 -5.813 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.433 -4.987 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.103 -6.176 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.104 -7.993 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.364 -7.444 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.297 -6.717 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.494 -5.710 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.778 -7.721 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.945 -6.000 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.470 -7.252 -3.973 1.00 0.00 H new ATOM 773 N ALA A 52 -10.469 -7.653 -7.492 1.00 0.00 N ATOM 774 CA ALA A 52 -10.332 -8.901 -8.225 1.00 0.00 C ATOM 775 C ALA A 52 -8.905 -9.089 -8.743 1.00 0.00 C ATOM 776 O ALA A 52 -8.333 -10.171 -8.606 1.00 0.00 O ATOM 777 CB ALA A 52 -11.345 -8.941 -9.372 1.00 0.00 C ATOM 0 H ALA A 52 -11.198 -7.039 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.538 -9.728 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.239 -9.878 -9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.355 -8.869 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.164 -8.105 -10.047 1.00 0.00 H new ATOM 783 N ASP A 53 -8.322 -8.032 -9.319 1.00 0.00 N ATOM 784 CA ASP A 53 -6.953 -8.090 -9.813 1.00 0.00 C ATOM 785 C ASP A 53 -6.038 -8.378 -8.624 1.00 0.00 C ATOM 786 O ASP A 53 -5.220 -9.290 -8.692 1.00 0.00 O ATOM 787 CB ASP A 53 -6.570 -6.790 -10.543 1.00 0.00 C ATOM 788 CG ASP A 53 -5.102 -6.413 -10.348 1.00 0.00 C ATOM 789 OD1 ASP A 53 -4.273 -6.915 -11.138 1.00 0.00 O ATOM 790 OD2 ASP A 53 -4.838 -5.640 -9.403 1.00 0.00 O ATOM 0 H ASP A 53 -8.780 -7.131 -9.452 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.848 -8.887 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.773 -6.903 -11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.200 -5.977 -10.183 1.00 0.00 H new ATOM 795 N VAL A 54 -6.198 -7.621 -7.533 1.00 0.00 N ATOM 796 CA VAL A 54 -5.380 -7.782 -6.337 1.00 0.00 C ATOM 797 C VAL A 54 -5.428 -9.236 -5.848 1.00 0.00 C ATOM 798 O VAL A 54 -4.398 -9.796 -5.474 1.00 0.00 O ATOM 799 CB VAL A 54 -5.792 -6.761 -5.259 1.00 0.00 C ATOM 800 CG1 VAL A 54 -5.108 -7.041 -3.916 1.00 0.00 C ATOM 801 CG2 VAL A 54 -5.425 -5.337 -5.702 1.00 0.00 C ATOM 0 H VAL A 54 -6.898 -6.883 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.338 -7.571 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.871 -6.854 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.426 -6.298 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.385 -8.036 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.026 -6.988 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.723 -4.628 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.349 -5.271 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.943 -5.100 -6.631 1.00 0.00 H new ATOM 811 N LYS A 55 -6.602 -9.871 -5.863 1.00 0.00 N ATOM 812 CA LYS A 55 -6.727 -11.266 -5.471 1.00 0.00 C ATOM 813 C LYS A 55 -6.057 -12.210 -6.474 1.00 0.00 C ATOM 814 O LYS A 55 -5.293 -13.088 -6.074 1.00 0.00 O ATOM 815 CB LYS A 55 -8.206 -11.615 -5.250 1.00 0.00 C ATOM 816 CG LYS A 55 -8.616 -11.528 -3.775 1.00 0.00 C ATOM 817 CD LYS A 55 -8.453 -10.112 -3.205 1.00 0.00 C ATOM 818 CE LYS A 55 -8.984 -10.016 -1.771 1.00 0.00 C ATOM 819 NZ LYS A 55 -8.305 -10.959 -0.868 1.00 0.00 N ATOM 0 H LYS A 55 -7.480 -9.434 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.196 -11.405 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.827 -10.938 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.397 -12.623 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.655 -11.842 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.013 -12.223 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.400 -9.831 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.984 -9.401 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.849 -8.999 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.055 -10.217 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.500 -10.696 0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.654 -11.922 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.280 -10.926 -1.039 1.00 0.00 H new ATOM 833 N ALA A 56 -6.321 -12.052 -7.774 1.00 0.00 N ATOM 834 CA ALA A 56 -5.658 -12.873 -8.785 1.00 0.00 C ATOM 835 C ALA A 56 -4.137 -12.823 -8.591 1.00 0.00 C ATOM 836 O ALA A 56 -3.458 -13.847 -8.574 1.00 0.00 O ATOM 837 CB ALA A 56 -6.059 -12.398 -10.184 1.00 0.00 C ATOM 0 H ALA A 56 -6.982 -11.370 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.974 -13.910 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.562 -13.014 -10.934 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.139 -12.484 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.762 -11.357 -10.314 1.00 0.00 H new ATOM 843 N VAL A 57 -3.630 -11.610 -8.394 1.00 0.00 N ATOM 844 CA VAL A 57 -2.250 -11.293 -8.071 1.00 0.00 C ATOM 845 C VAL A 57 -1.789 -11.978 -6.785 1.00 0.00 C ATOM 846 O VAL A 57 -0.744 -12.628 -6.786 1.00 0.00 O ATOM 847 CB VAL A 57 -2.151 -9.759 -8.050 1.00 0.00 C ATOM 848 CG1 VAL A 57 -0.919 -9.242 -7.319 1.00 0.00 C ATOM 849 CG2 VAL A 57 -2.152 -9.230 -9.491 1.00 0.00 C ATOM 0 H VAL A 57 -4.210 -10.774 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.560 -11.684 -8.818 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.018 -9.393 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.912 -8.152 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.941 -9.582 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.021 -9.621 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.082 -8.142 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.300 -9.643 -10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.075 -9.529 -9.988 1.00 0.00 H new ATOM 859 N CYS A 58 -2.556 -11.877 -5.695 1.00 0.00 N ATOM 860 CA CYS A 58 -2.247 -12.605 -4.466 1.00 0.00 C ATOM 861 C CYS A 58 -1.982 -14.077 -4.759 1.00 0.00 C ATOM 862 O CYS A 58 -1.030 -14.666 -4.249 1.00 0.00 O ATOM 863 CB CYS A 58 -3.386 -12.491 -3.453 1.00 0.00 C ATOM 864 SG CYS A 58 -3.084 -13.456 -1.959 1.00 0.00 S ATOM 0 H CYS A 58 -3.394 -11.298 -5.641 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.350 -12.154 -4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.524 -11.444 -3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.314 -12.826 -3.916 1.00 0.00 H new ATOM 869 N SER A 59 -2.805 -14.654 -5.634 1.00 0.00 N ATOM 870 CA SER A 59 -2.736 -16.063 -5.986 1.00 0.00 C ATOM 871 C SER A 59 -1.792 -16.325 -7.163 1.00 0.00 C ATOM 872 O SER A 59 -2.000 -17.288 -7.897 1.00 0.00 O ATOM 873 CB SER A 59 -4.154 -16.570 -6.262 1.00 0.00 C ATOM 874 OG SER A 59 -4.965 -16.368 -5.116 1.00 0.00 O ATOM 0 H SER A 59 -3.544 -14.147 -6.121 1.00 0.00 H new ATOM 0 HA SER A 59 -2.312 -16.617 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.579 -16.044 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.128 -17.629 -6.519 1.00 0.00 H new ATOM 0 HG SER A 59 -5.872 -16.692 -5.296 1.00 0.00 H new ATOM 880 N GLN A 60 -0.748 -15.504 -7.332 1.00 0.00 N ATOM 881 CA GLN A 60 0.330 -15.792 -8.272 1.00 0.00 C ATOM 882 C GLN A 60 1.320 -16.769 -7.633 1.00 0.00 C ATOM 883 O GLN A 60 1.130 -17.979 -7.718 1.00 0.00 O ATOM 884 CB GLN A 60 1.003 -14.493 -8.747 1.00 0.00 C ATOM 885 CG GLN A 60 0.078 -13.723 -9.696 1.00 0.00 C ATOM 886 CD GLN A 60 -0.026 -14.340 -11.088 1.00 0.00 C ATOM 887 OE1 GLN A 60 0.891 -15.003 -11.564 1.00 0.00 O ATOM 888 NE2 GLN A 60 -1.146 -14.114 -11.768 1.00 0.00 N ATOM 0 H GLN A 60 -0.632 -14.628 -6.822 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.079 -16.269 -9.163 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.251 -13.870 -7.888 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.940 -14.726 -9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.918 -13.672 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.439 -12.699 -9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.893 -13.560 -11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.258 -14.495 -12.708 1.00 0.00 H new ATOM 897 N LYS A 61 2.393 -16.257 -7.021 1.00 0.00 N ATOM 898 CA LYS A 61 3.502 -17.101 -6.576 1.00 0.00 C ATOM 899 C LYS A 61 4.396 -16.387 -5.567 1.00 0.00 C ATOM 900 O LYS A 61 5.179 -15.516 -5.940 1.00 0.00 O ATOM 901 CB LYS A 61 4.336 -17.514 -7.794 1.00 0.00 C ATOM 902 CG LYS A 61 5.540 -18.408 -7.463 1.00 0.00 C ATOM 903 CD LYS A 61 6.423 -18.559 -8.707 1.00 0.00 C ATOM 904 CE LYS A 61 7.665 -19.395 -8.386 1.00 0.00 C ATOM 905 NZ LYS A 61 8.588 -19.441 -9.532 1.00 0.00 N ATOM 0 H LYS A 61 2.515 -15.264 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 61 3.082 -17.977 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.692 -18.039 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.693 -16.615 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.116 -17.973 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.198 -19.387 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.855 -19.033 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.723 -17.575 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.176 -18.973 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.365 -20.408 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.420 -20.014 -9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.105 -19.866 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.892 -18.476 -9.772 1.00 0.00 H new ATOM 919 N LYS A 62 4.315 -16.809 -4.307 1.00 0.00 N ATOM 920 CA LYS A 62 5.229 -16.429 -3.246 1.00 0.00 C ATOM 921 C LYS A 62 6.655 -16.879 -3.578 1.00 0.00 C ATOM 922 O LYS A 62 6.849 -17.976 -4.099 1.00 0.00 O ATOM 923 CB LYS A 62 4.749 -17.113 -1.960 1.00 0.00 C ATOM 924 CG LYS A 62 3.973 -16.157 -1.052 1.00 0.00 C ATOM 925 CD LYS A 62 3.492 -16.926 0.183 1.00 0.00 C ATOM 926 CE LYS A 62 2.748 -15.983 1.130 1.00 0.00 C ATOM 927 NZ LYS A 62 2.222 -16.696 2.306 1.00 0.00 N ATOM 0 H LYS A 62 3.584 -17.447 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 62 5.242 -15.346 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.116 -17.962 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.608 -17.509 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.608 -15.323 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.123 -15.735 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.836 -17.743 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.343 -17.374 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.421 -15.190 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.926 -15.505 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.681 -16.035 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.601 -17.469 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.012 -17.088 2.857 1.00 0.00 H new ATOM 941 N VAL A 63 7.646 -16.051 -3.234 1.00 0.00 N ATOM 942 CA VAL A 63 9.056 -16.403 -3.239 1.00 0.00 C ATOM 943 C VAL A 63 9.675 -15.891 -1.935 1.00 0.00 C ATOM 944 O VAL A 63 9.138 -14.978 -1.305 1.00 0.00 O ATOM 945 CB VAL A 63 9.768 -15.831 -4.482 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.237 -16.480 -5.767 1.00 0.00 C ATOM 947 CG2 VAL A 63 9.643 -14.307 -4.614 1.00 0.00 C ATOM 0 H VAL A 63 7.477 -15.090 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 63 9.175 -17.485 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 63 10.823 -16.067 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.756 -16.059 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.410 -17.556 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.168 -16.287 -5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.167 -13.975 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.590 -14.033 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.082 -13.829 -3.739 1.00 0.00 H new ATOM 957 N THR A 64 10.794 -16.479 -1.512 1.00 0.00 N ATOM 958 CA THR A 64 11.531 -16.037 -0.344 1.00 0.00 C ATOM 959 C THR A 64 11.988 -14.593 -0.552 1.00 0.00 C ATOM 960 O THR A 64 12.705 -14.310 -1.511 1.00 0.00 O ATOM 961 CB THR A 64 12.726 -16.976 -0.135 1.00 0.00 C ATOM 962 OG1 THR A 64 12.377 -18.286 -0.544 1.00 0.00 O ATOM 963 CG2 THR A 64 13.168 -16.987 1.331 1.00 0.00 C ATOM 0 H THR A 64 11.213 -17.283 -1.980 1.00 0.00 H new ATOM 0 HA THR A 64 10.902 -16.068 0.546 1.00 0.00 H new ATOM 0 HB THR A 64 13.559 -16.614 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.142 -18.885 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.016 -17.661 1.450 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.459 -15.980 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.343 -17.328 1.957 1.00 0.00 H new ATOM 971 N CYS A 65 11.580 -13.670 0.320 1.00 0.00 N ATOM 972 CA CYS A 65 12.001 -12.287 0.199 1.00 0.00 C ATOM 973 C CYS A 65 13.493 -12.185 0.501 1.00 0.00 C ATOM 974 O CYS A 65 14.023 -12.988 1.274 1.00 0.00 O ATOM 975 CB CYS A 65 11.241 -11.430 1.209 1.00 0.00 C ATOM 976 SG CYS A 65 9.438 -11.503 1.154 1.00 0.00 S ATOM 0 H CYS A 65 10.963 -13.860 1.110 1.00 0.00 H new ATOM 0 HA CYS A 65 11.797 -11.938 -0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 65 11.561 -11.721 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.542 -10.392 1.067 1.00 0.00 H new ATOM 981 N LYS A 66 14.152 -11.140 -0.012 1.00 0.00 N ATOM 982 CA LYS A 66 15.518 -10.771 0.362 1.00 0.00 C ATOM 983 C LYS A 66 15.503 -10.106 1.746 1.00 0.00 C ATOM 984 O LYS A 66 15.882 -8.952 1.923 1.00 0.00 O ATOM 985 CB LYS A 66 16.132 -9.864 -0.709 1.00 0.00 C ATOM 986 CG LYS A 66 16.385 -10.629 -2.014 1.00 0.00 C ATOM 987 CD LYS A 66 17.039 -9.700 -3.046 1.00 0.00 C ATOM 988 CE LYS A 66 17.427 -10.447 -4.329 1.00 0.00 C ATOM 989 NZ LYS A 66 18.515 -11.413 -4.097 1.00 0.00 N ATOM 0 H LYS A 66 13.743 -10.518 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 66 16.143 -11.662 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.465 -9.024 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 66 17.070 -9.449 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 66 17.030 -11.487 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.445 -11.018 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.352 -8.891 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.927 -9.243 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.555 -10.970 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.736 -9.728 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.862 -11.771 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.293 -10.944 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.159 -12.206 -3.526 1.00 0.00 H new ATOM 1003 N ASP A 67 15.018 -10.877 2.713 1.00 0.00 N ATOM 1004 CA ASP A 67 14.779 -10.557 4.103 1.00 0.00 C ATOM 1005 C ASP A 67 14.961 -11.836 4.935 1.00 0.00 C ATOM 1006 O ASP A 67 15.418 -11.771 6.071 1.00 0.00 O ATOM 1007 CB ASP A 67 13.383 -9.931 4.237 1.00 0.00 C ATOM 1008 CG ASP A 67 12.426 -10.659 5.181 1.00 0.00 C ATOM 1009 OD1 ASP A 67 11.919 -11.736 4.788 1.00 0.00 O ATOM 1010 OD2 ASP A 67 12.213 -10.117 6.284 1.00 0.00 O ATOM 0 H ASP A 67 14.757 -11.843 2.514 1.00 0.00 H new ATOM 0 HA ASP A 67 15.490 -9.822 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.496 -8.903 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.927 -9.886 3.248 1.00 0.00 H new ATOM 1015 N GLY A 68 14.618 -13.003 4.368 1.00 0.00 N ATOM 1016 CA GLY A 68 14.861 -14.291 5.000 1.00 0.00 C ATOM 1017 C GLY A 68 14.023 -14.492 6.262 1.00 0.00 C ATOM 1018 O GLY A 68 14.453 -15.185 7.180 1.00 0.00 O ATOM 0 H GLY A 68 14.164 -13.071 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.639 -15.088 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.918 -14.374 5.253 1.00 0.00 H new ATOM 1022 N GLN A 69 12.822 -13.905 6.294 1.00 0.00 N ATOM 1023 CA GLN A 69 11.865 -14.053 7.382 1.00 0.00 C ATOM 1024 C GLN A 69 10.515 -14.485 6.815 1.00 0.00 C ATOM 1025 O GLN A 69 9.941 -15.469 7.272 1.00 0.00 O ATOM 1026 CB GLN A 69 11.750 -12.737 8.154 1.00 0.00 C ATOM 1027 CG GLN A 69 11.009 -12.919 9.484 1.00 0.00 C ATOM 1028 CD GLN A 69 10.855 -11.594 10.221 1.00 0.00 C ATOM 1029 OE1 GLN A 69 9.746 -11.106 10.408 1.00 0.00 O ATOM 1030 NE2 GLN A 69 11.964 -10.996 10.644 1.00 0.00 N ATOM 0 H GLN A 69 12.486 -13.301 5.544 1.00 0.00 H new ATOM 0 HA GLN A 69 12.207 -14.821 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.747 -12.339 8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.225 -12.002 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.025 -13.350 9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.553 -13.625 10.112 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.873 -11.427 10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.906 -10.106 11.139 1.00 0.00 H new ATOM 1039 N THR A 70 10.007 -13.736 5.830 1.00 0.00 N ATOM 1040 CA THR A 70 8.737 -14.018 5.181 1.00 0.00 C ATOM 1041 C THR A 70 8.952 -14.364 3.714 1.00 0.00 C ATOM 1042 O THR A 70 10.078 -14.378 3.209 1.00 0.00 O ATOM 1043 CB THR A 70 7.761 -12.850 5.382 1.00 0.00 C ATOM 1044 OG1 THR A 70 6.474 -13.188 4.899 1.00 0.00 O ATOM 1045 CG2 THR A 70 8.215 -11.535 4.744 1.00 0.00 C ATOM 0 H THR A 70 10.477 -12.909 5.462 1.00 0.00 H new ATOM 0 HA THR A 70 8.281 -14.893 5.645 1.00 0.00 H new ATOM 0 HB THR A 70 7.733 -12.680 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.864 -12.433 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.469 -10.763 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.169 -11.232 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.330 -11.673 3.669 1.00 0.00 H new ATOM 1053 N ASN A 71 7.837 -14.645 3.043 1.00 0.00 N ATOM 1054 CA ASN A 71 7.781 -14.918 1.629 1.00 0.00 C ATOM 1055 C ASN A 71 6.817 -13.912 1.033 1.00 0.00 C ATOM 1056 O ASN A 71 5.757 -13.652 1.603 1.00 0.00 O ATOM 1057 CB ASN A 71 7.302 -16.346 1.342 1.00 0.00 C ATOM 1058 CG ASN A 71 8.389 -17.391 1.563 1.00 0.00 C ATOM 1059 OD1 ASN A 71 8.891 -17.979 0.613 1.00 0.00 O ATOM 1060 ND2 ASN A 71 8.751 -17.648 2.816 1.00 0.00 N ATOM 0 H ASN A 71 6.923 -14.688 3.494 1.00 0.00 H new ATOM 0 HA ASN A 71 8.775 -14.833 1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.450 -16.574 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.951 -16.406 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.465 -18.351 3.007 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.315 -17.142 3.587 1.00 0.00 H new ATOM 1067 N CYS A 72 7.204 -13.341 -0.098 1.00 0.00 N ATOM 1068 CA CYS A 72 6.458 -12.328 -0.811 1.00 0.00 C ATOM 1069 C CYS A 72 6.354 -12.763 -2.259 1.00 0.00 C ATOM 1070 O CYS A 72 7.313 -13.274 -2.827 1.00 0.00 O ATOM 1071 CB CYS A 72 7.082 -10.934 -0.667 1.00 0.00 C ATOM 1072 SG CYS A 72 8.890 -10.818 -0.737 1.00 0.00 S ATOM 0 H CYS A 72 8.081 -13.584 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 72 5.461 -12.236 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.673 -10.299 -1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.754 -10.515 0.284 1.00 0.00 H new ATOM 1077 N TYR A 73 5.161 -12.629 -2.831 1.00 0.00 N ATOM 1078 CA TYR A 73 4.893 -12.917 -4.219 1.00 0.00 C ATOM 1079 C TYR A 73 5.131 -11.661 -5.043 1.00 0.00 C ATOM 1080 O TYR A 73 4.821 -10.545 -4.618 1.00 0.00 O ATOM 1081 CB TYR A 73 3.468 -13.467 -4.394 1.00 0.00 C ATOM 1082 CG TYR A 73 2.366 -12.483 -4.087 1.00 0.00 C ATOM 1083 CD1 TYR A 73 1.950 -12.273 -2.761 1.00 0.00 C ATOM 1084 CD2 TYR A 73 1.881 -11.657 -5.111 1.00 0.00 C ATOM 1085 CE1 TYR A 73 1.105 -11.194 -2.459 1.00 0.00 C ATOM 1086 CE2 TYR A 73 1.007 -10.607 -4.807 1.00 0.00 C ATOM 1087 CZ TYR A 73 0.574 -10.407 -3.488 1.00 0.00 C ATOM 1088 OH TYR A 73 -0.345 -9.443 -3.198 1.00 0.00 O ATOM 0 H TYR A 73 4.338 -12.308 -2.320 1.00 0.00 H new ATOM 0 HA TYR A 73 5.572 -13.692 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.351 -13.813 -5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.348 -14.338 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.279 -12.939 -1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.182 -11.831 -6.134 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.864 -10.970 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.665 -9.948 -5.591 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.612 -8.987 -4.023 1.00 0.00 H new ATOM 1098 N GLN A 74 5.715 -11.863 -6.221 1.00 0.00 N ATOM 1099 CA GLN A 74 5.818 -10.846 -7.244 1.00 0.00 C ATOM 1100 C GLN A 74 4.469 -10.666 -7.923 1.00 0.00 C ATOM 1101 O GLN A 74 3.759 -11.633 -8.195 1.00 0.00 O ATOM 1102 CB GLN A 74 6.929 -11.239 -8.222 1.00 0.00 C ATOM 1103 CG GLN A 74 6.846 -10.724 -9.668 1.00 0.00 C ATOM 1104 CD GLN A 74 7.078 -9.221 -9.782 1.00 0.00 C ATOM 1105 OE1 GLN A 74 6.731 -8.460 -8.885 1.00 0.00 O ATOM 1106 NE2 GLN A 74 7.684 -8.784 -10.882 1.00 0.00 N ATOM 0 H GLN A 74 6.134 -12.754 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 74 6.085 -9.882 -6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.876 -10.899 -7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.969 -12.328 -8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.584 -11.247 -10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.866 -10.966 -10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.960 -9.444 -11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.873 -7.789 -10.999 1.00 0.00 H new ATOM 1115 N SER A 75 4.157 -9.419 -8.249 1.00 0.00 N ATOM 1116 CA SER A 75 3.022 -9.106 -9.098 1.00 0.00 C ATOM 1117 C SER A 75 3.408 -9.418 -10.537 1.00 0.00 C ATOM 1118 O SER A 75 4.273 -8.753 -11.107 1.00 0.00 O ATOM 1119 CB SER A 75 2.599 -7.645 -8.947 1.00 0.00 C ATOM 1120 OG SER A 75 1.306 -7.468 -9.484 1.00 0.00 O ATOM 0 H SER A 75 4.681 -8.603 -7.934 1.00 0.00 H new ATOM 0 HA SER A 75 2.165 -9.711 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.609 -7.360 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.309 -6.996 -9.460 1.00 0.00 H new ATOM 0 HG SER A 75 1.373 -7.045 -10.365 1.00 0.00 H new ATOM 1126 N LYS A 76 2.765 -10.429 -11.123 1.00 0.00 N ATOM 1127 CA LYS A 76 2.888 -10.737 -12.539 1.00 0.00 C ATOM 1128 C LYS A 76 2.658 -9.483 -13.374 1.00 0.00 C ATOM 1129 O LYS A 76 3.380 -9.236 -14.336 1.00 0.00 O ATOM 1130 CB LYS A 76 1.896 -11.856 -12.887 1.00 0.00 C ATOM 1131 CG LYS A 76 1.955 -12.328 -14.348 1.00 0.00 C ATOM 1132 CD LYS A 76 3.318 -12.892 -14.780 1.00 0.00 C ATOM 1133 CE LYS A 76 3.755 -14.076 -13.909 1.00 0.00 C ATOM 1134 NZ LYS A 76 4.951 -14.735 -14.461 1.00 0.00 N ATOM 0 H LYS A 76 2.140 -11.059 -10.620 1.00 0.00 H new ATOM 0 HA LYS A 76 3.895 -11.086 -12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.086 -12.709 -12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.886 -11.509 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.194 -13.094 -14.500 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.700 -11.491 -14.998 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.265 -13.209 -15.822 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.070 -12.105 -14.724 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.963 -13.728 -12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.941 -14.797 -13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.222 -15.532 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.743 -15.087 -15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.734 -14.052 -14.507 1.00 0.00 H new ATOM 1148 N SER A 77 1.659 -8.689 -12.994 1.00 0.00 N ATOM 1149 CA SER A 77 1.348 -7.440 -13.638 1.00 0.00 C ATOM 1150 C SER A 77 2.045 -6.289 -12.921 1.00 0.00 C ATOM 1151 O SER A 77 2.319 -6.347 -11.724 1.00 0.00 O ATOM 1152 CB SER A 77 -0.172 -7.251 -13.580 1.00 0.00 C ATOM 1153 OG SER A 77 -0.661 -7.746 -12.340 1.00 0.00 O ATOM 0 H SER A 77 1.039 -8.911 -12.215 1.00 0.00 H new ATOM 0 HA SER A 77 1.693 -7.451 -14.672 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.423 -6.196 -13.688 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.647 -7.778 -14.408 1.00 0.00 H new ATOM 0 HG SER A 77 -1.633 -7.625 -12.300 1.00 0.00 H new ATOM 1159 N THR A 78 2.314 -5.222 -13.661 1.00 0.00 N ATOM 1160 CA THR A 78 2.655 -3.933 -13.087 1.00 0.00 C ATOM 1161 C THR A 78 1.367 -3.318 -12.523 1.00 0.00 C ATOM 1162 O THR A 78 0.267 -3.720 -12.903 1.00 0.00 O ATOM 1163 CB THR A 78 3.254 -3.075 -14.209 1.00 0.00 C ATOM 1164 OG1 THR A 78 2.416 -3.151 -15.346 1.00 0.00 O ATOM 1165 CG2 THR A 78 4.628 -3.613 -14.623 1.00 0.00 C ATOM 0 H THR A 78 2.301 -5.229 -14.681 1.00 0.00 H new ATOM 0 HA THR A 78 3.383 -4.010 -12.279 1.00 0.00 H new ATOM 0 HB THR A 78 3.346 -2.052 -13.845 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.792 -2.603 -16.067 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.037 -2.992 -15.420 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.300 -3.592 -13.765 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.525 -4.638 -14.979 1.00 0.00 H new ATOM 1173 N MET A 79 1.496 -2.357 -11.607 1.00 0.00 N ATOM 1174 CA MET A 79 0.393 -1.563 -11.096 1.00 0.00 C ATOM 1175 C MET A 79 0.876 -0.128 -10.953 1.00 0.00 C ATOM 1176 O MET A 79 2.088 0.092 -10.880 1.00 0.00 O ATOM 1177 CB MET A 79 -0.038 -2.059 -9.709 1.00 0.00 C ATOM 1178 CG MET A 79 -0.409 -3.541 -9.683 1.00 0.00 C ATOM 1179 SD MET A 79 -1.111 -4.052 -8.098 1.00 0.00 S ATOM 1180 CE MET A 79 -1.645 -5.707 -8.544 1.00 0.00 C ATOM 0 H MET A 79 2.395 -2.108 -11.194 1.00 0.00 H new ATOM 0 HA MET A 79 -0.451 -1.641 -11.781 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.771 -1.882 -9.000 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.892 -1.472 -9.371 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.126 -3.746 -10.477 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.479 -4.138 -9.893 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.217 -6.138 -7.723 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.270 -5.660 -9.436 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.773 -6.329 -8.744 1.00 0.00 H new ATOM 1190 N ARG A 80 -0.059 0.828 -10.882 1.00 0.00 N ATOM 1191 CA ARG A 80 0.268 2.169 -10.430 1.00 0.00 C ATOM 1192 C ARG A 80 0.079 2.190 -8.919 1.00 0.00 C ATOM 1193 O ARG A 80 -1.032 1.955 -8.433 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.566 3.261 -11.114 1.00 0.00 C ATOM 1195 CG ARG A 80 -0.060 4.635 -10.631 1.00 0.00 C ATOM 1196 CD ARG A 80 -0.170 5.722 -11.702 1.00 0.00 C ATOM 1197 NE ARG A 80 -1.560 6.056 -12.005 1.00 0.00 N ATOM 1198 CZ ARG A 80 -1.985 6.711 -13.094 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -1.210 6.865 -14.175 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -3.214 7.230 -13.058 1.00 0.00 N ATOM 0 H ARG A 80 -1.038 0.691 -11.132 1.00 0.00 H new ATOM 0 HA ARG A 80 1.299 2.398 -10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.476 3.184 -12.198 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.622 3.139 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.631 4.938 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.980 4.544 -10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.352 6.617 -11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.328 5.386 -12.611 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.267 5.766 -11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.266 6.478 -14.185 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.563 7.369 -14.988 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.790 7.120 -12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.578 7.737 -13.865 1.00 0.00 H new ATOM 1214 N ILE A 81 1.159 2.462 -8.186 1.00 0.00 N ATOM 1215 CA ILE A 81 1.109 2.704 -6.765 1.00 0.00 C ATOM 1216 C ILE A 81 1.452 4.160 -6.480 1.00 0.00 C ATOM 1217 O ILE A 81 2.218 4.778 -7.218 1.00 0.00 O ATOM 1218 CB ILE A 81 2.047 1.743 -6.031 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.531 1.933 -6.380 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.605 0.296 -6.267 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.444 1.139 -5.445 1.00 0.00 C ATOM 0 H ILE A 81 2.099 2.519 -8.578 1.00 0.00 H new ATOM 0 HA ILE A 81 0.100 2.519 -6.397 1.00 0.00 H new ATOM 0 HB ILE A 81 1.968 1.981 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.705 1.619 -7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.785 2.991 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.278 -0.381 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.590 0.160 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.632 0.077 -7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.484 1.302 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.290 1.471 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.209 0.077 -5.522 1.00 0.00 H new ATOM 1233 N THR A 82 0.883 4.664 -5.388 1.00 0.00 N ATOM 1234 CA THR A 82 1.049 5.988 -4.825 1.00 0.00 C ATOM 1235 C THR A 82 1.668 5.773 -3.440 1.00 0.00 C ATOM 1236 O THR A 82 0.951 5.544 -2.462 1.00 0.00 O ATOM 1237 CB THR A 82 -0.343 6.646 -4.775 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.962 6.581 -6.047 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.318 8.090 -4.269 1.00 0.00 C ATOM 0 H THR A 82 0.239 4.102 -4.831 1.00 0.00 H new ATOM 0 HA THR A 82 1.696 6.649 -5.402 1.00 0.00 H new ATOM 0 HB THR A 82 -0.926 6.078 -4.050 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.865 7.443 -6.502 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.332 8.490 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.091 8.115 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.305 8.695 -4.927 1.00 0.00 H new ATOM 1247 N ASP A 83 3.004 5.763 -3.373 1.00 0.00 N ATOM 1248 CA ASP A 83 3.761 5.521 -2.158 1.00 0.00 C ATOM 1249 C ASP A 83 3.977 6.825 -1.411 1.00 0.00 C ATOM 1250 O ASP A 83 4.602 7.727 -1.961 1.00 0.00 O ATOM 1251 CB ASP A 83 5.102 4.858 -2.470 1.00 0.00 C ATOM 1252 CG ASP A 83 5.760 4.420 -1.169 1.00 0.00 C ATOM 1253 OD1 ASP A 83 6.506 5.251 -0.607 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.478 3.277 -0.749 1.00 0.00 O ATOM 0 H ASP A 83 3.596 5.928 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 83 3.188 4.841 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.953 3.998 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.750 5.554 -3.003 1.00 0.00 H new ATOM 1259 N CYS A 84 3.465 6.934 -0.186 1.00 0.00 N ATOM 1260 CA CYS A 84 3.449 8.168 0.562 1.00 0.00 C ATOM 1261 C CYS A 84 4.255 8.063 1.844 1.00 0.00 C ATOM 1262 O CYS A 84 4.345 6.987 2.433 1.00 0.00 O ATOM 1263 CB CYS A 84 2.016 8.554 0.886 1.00 0.00 C ATOM 1264 SG CYS A 84 0.885 8.671 -0.504 1.00 0.00 S ATOM 0 H CYS A 84 3.046 6.149 0.313 1.00 0.00 H new ATOM 0 HA CYS A 84 3.910 8.937 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.617 7.824 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.029 9.516 1.397 1.00 0.00 H new ATOM 1269 N ARG A 85 4.833 9.188 2.271 1.00 0.00 N ATOM 1270 CA ARG A 85 5.764 9.252 3.386 1.00 0.00 C ATOM 1271 C ARG A 85 5.629 10.602 4.065 1.00 0.00 C ATOM 1272 O ARG A 85 5.449 11.606 3.387 1.00 0.00 O ATOM 1273 CB ARG A 85 7.218 9.088 2.904 1.00 0.00 C ATOM 1274 CG ARG A 85 7.490 9.649 1.496 1.00 0.00 C ATOM 1275 CD ARG A 85 7.606 8.550 0.431 1.00 0.00 C ATOM 1276 NE ARG A 85 9.001 8.108 0.297 1.00 0.00 N ATOM 1277 CZ ARG A 85 9.474 7.345 -0.697 1.00 0.00 C ATOM 1278 NH1 ARG A 85 8.635 6.728 -1.536 1.00 0.00 N ATOM 1279 NH2 ARG A 85 10.794 7.202 -0.844 1.00 0.00 N ATOM 0 H ARG A 85 4.659 10.095 1.838 1.00 0.00 H new ATOM 0 HA ARG A 85 5.529 8.443 4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.881 9.584 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.474 8.029 2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.687 10.332 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.412 10.231 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.975 7.704 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.243 8.924 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 85 9.660 8.405 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.627 6.837 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.003 6.149 -2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.432 7.672 -0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.163 6.623 -1.598 1.00 0.00 H new ATOM 1293 N GLU A 86 5.761 10.652 5.387 1.00 0.00 N ATOM 1294 CA GLU A 86 5.921 11.908 6.090 1.00 0.00 C ATOM 1295 C GLU A 86 7.081 12.718 5.468 1.00 0.00 C ATOM 1296 O GLU A 86 8.233 12.297 5.542 1.00 0.00 O ATOM 1297 CB GLU A 86 6.048 11.618 7.603 1.00 0.00 C ATOM 1298 CG GLU A 86 7.401 11.117 8.148 1.00 0.00 C ATOM 1299 CD GLU A 86 7.797 9.706 7.707 1.00 0.00 C ATOM 1300 OE1 GLU A 86 8.070 9.515 6.503 1.00 0.00 O ATOM 1301 OE2 GLU A 86 7.844 8.833 8.601 1.00 0.00 O ATOM 0 H GLU A 86 5.759 9.830 5.990 1.00 0.00 H new ATOM 0 HA GLU A 86 5.047 12.550 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.794 12.533 8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.292 10.877 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.181 11.811 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.369 11.145 9.237 1.00 0.00 H new ATOM 1308 N THR A 87 6.797 13.847 4.798 1.00 0.00 N ATOM 1309 CA THR A 87 7.823 14.799 4.369 1.00 0.00 C ATOM 1310 C THR A 87 8.906 14.980 5.449 1.00 0.00 C ATOM 1311 O THR A 87 8.590 14.995 6.641 1.00 0.00 O ATOM 1312 CB THR A 87 7.204 16.173 4.030 1.00 0.00 C ATOM 1313 OG1 THR A 87 6.737 16.839 5.183 1.00 0.00 O ATOM 1314 CG2 THR A 87 6.043 16.134 3.038 1.00 0.00 C ATOM 0 H THR A 87 5.849 14.121 4.541 1.00 0.00 H new ATOM 0 HA THR A 87 8.284 14.386 3.472 1.00 0.00 H new ATOM 0 HB THR A 87 8.034 16.705 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.392 17.513 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.678 17.146 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.384 15.706 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.238 15.522 3.444 1.00 0.00 H new ATOM 1322 N GLY A 88 10.169 15.163 5.046 1.00 0.00 N ATOM 1323 CA GLY A 88 11.275 15.443 5.959 1.00 0.00 C ATOM 1324 C GLY A 88 11.133 16.844 6.561 1.00 0.00 C ATOM 1325 O GLY A 88 11.877 17.754 6.208 1.00 0.00 O ATOM 0 H GLY A 88 10.451 15.120 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.294 14.699 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.223 15.364 5.426 1.00 0.00 H new ATOM 1329 N SER A 89 10.154 16.995 7.453 1.00 0.00 N ATOM 1330 CA SER A 89 9.642 18.250 7.993 1.00 0.00 C ATOM 1331 C SER A 89 8.329 17.994 8.740 1.00 0.00 C ATOM 1332 O SER A 89 8.042 18.662 9.730 1.00 0.00 O ATOM 1333 CB SER A 89 9.404 19.269 6.867 1.00 0.00 C ATOM 1334 OG SER A 89 8.720 18.677 5.772 1.00 0.00 O ATOM 0 H SER A 89 9.666 16.188 7.842 1.00 0.00 H new ATOM 0 HA SER A 89 10.382 18.658 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.824 20.109 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.359 19.670 6.528 1.00 0.00 H new ATOM 0 HG SER A 89 8.581 19.348 5.072 1.00 0.00 H new ATOM 1340 N SER A 90 7.534 17.043 8.239 1.00 0.00 N ATOM 1341 CA SER A 90 6.244 16.638 8.769 1.00 0.00 C ATOM 1342 C SER A 90 6.316 16.394 10.277 1.00 0.00 C ATOM 1343 O SER A 90 7.072 15.527 10.716 1.00 0.00 O ATOM 1344 CB SER A 90 5.834 15.349 8.058 1.00 0.00 C ATOM 1345 OG SER A 90 4.498 14.988 8.343 1.00 0.00 O ATOM 0 H SER A 90 7.794 16.511 7.408 1.00 0.00 H new ATOM 0 HA SER A 90 5.515 17.430 8.599 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.954 15.475 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.500 14.541 8.360 1.00 0.00 H new ATOM 0 HG SER A 90 4.090 14.589 7.546 1.00 0.00 H new ATOM 1351 N LYS A 91 5.532 17.131 11.068 1.00 0.00 N ATOM 1352 CA LYS A 91 5.480 16.968 12.513 1.00 0.00 C ATOM 1353 C LYS A 91 4.223 17.642 13.059 1.00 0.00 C ATOM 1354 O LYS A 91 4.016 18.829 12.818 1.00 0.00 O ATOM 1355 CB LYS A 91 6.766 17.512 13.158 1.00 0.00 C ATOM 1356 CG LYS A 91 6.996 19.014 12.932 1.00 0.00 C ATOM 1357 CD LYS A 91 8.457 19.444 13.137 1.00 0.00 C ATOM 1358 CE LYS A 91 8.973 19.271 14.573 1.00 0.00 C ATOM 1359 NZ LYS A 91 9.387 17.887 14.862 1.00 0.00 N ATOM 0 H LYS A 91 4.913 17.861 10.716 1.00 0.00 H new ATOM 0 HA LYS A 91 5.423 15.909 12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.732 17.318 14.230 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.619 16.961 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.687 19.273 11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.360 19.578 13.614 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.091 18.867 12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.559 20.491 12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.818 19.941 14.735 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.193 19.567 15.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.215 17.897 15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.606 17.380 15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.633 17.406 13.974 1.00 0.00 H new ATOM 1373 N TYR A 92 3.372 16.893 13.771 1.00 0.00 N ATOM 1374 CA TYR A 92 2.140 17.417 14.351 1.00 0.00 C ATOM 1375 C TYR A 92 2.382 18.735 15.101 1.00 0.00 C ATOM 1376 O TYR A 92 3.337 18.810 15.874 1.00 0.00 O ATOM 1377 CB TYR A 92 1.485 16.374 15.266 1.00 0.00 C ATOM 1378 CG TYR A 92 -0.013 16.557 15.423 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -0.893 16.159 14.399 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -0.523 17.190 16.572 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -2.274 16.384 14.531 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -1.903 17.420 16.699 1.00 0.00 C ATOM 1383 CZ TYR A 92 -2.780 17.004 15.682 1.00 0.00 C ATOM 1384 OH TYR A 92 -4.125 17.179 15.819 1.00 0.00 O ATOM 0 H TYR A 92 3.524 15.902 13.959 1.00 0.00 H new ATOM 0 HA TYR A 92 1.454 17.632 13.532 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.681 15.379 14.867 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.953 16.421 16.249 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.507 15.680 13.511 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.149 17.500 17.359 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.947 16.078 13.744 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.290 17.916 17.577 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.312 17.623 16.673 1.00 0.00 H new ATOM 1394 N PRO A 93 1.562 19.781 14.896 1.00 0.00 N ATOM 1395 CA PRO A 93 0.344 19.818 14.088 1.00 0.00 C ATOM 1396 C PRO A 93 0.613 19.782 12.579 1.00 0.00 C ATOM 1397 O PRO A 93 -0.233 19.332 11.809 1.00 0.00 O ATOM 1398 CB PRO A 93 -0.354 21.122 14.486 1.00 0.00 C ATOM 1399 CG PRO A 93 0.802 22.035 14.890 1.00 0.00 C ATOM 1400 CD PRO A 93 1.774 21.060 15.553 1.00 0.00 C ATOM 0 HA PRO A 93 -0.265 18.934 14.277 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.926 21.541 13.658 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.052 20.969 15.309 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.249 22.531 14.028 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.480 22.818 15.577 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.805 21.394 15.435 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.584 20.986 16.624 1.00 0.00 H new ATOM 1408 N ASN A 94 1.793 20.227 12.146 1.00 0.00 N ATOM 1409 CA ASN A 94 2.144 20.357 10.738 1.00 0.00 C ATOM 1410 C ASN A 94 2.552 18.995 10.165 1.00 0.00 C ATOM 1411 O ASN A 94 3.681 18.827 9.706 1.00 0.00 O ATOM 1412 CB ASN A 94 3.283 21.381 10.583 1.00 0.00 C ATOM 1413 CG ASN A 94 2.909 22.791 11.033 1.00 0.00 C ATOM 1414 OD1 ASN A 94 1.741 23.119 11.217 1.00 0.00 O ATOM 1415 ND2 ASN A 94 3.907 23.649 11.223 1.00 0.00 N ATOM 0 H ASN A 94 2.542 20.511 12.777 1.00 0.00 H new ATOM 0 HA ASN A 94 1.277 20.711 10.180 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.144 21.042 11.159 1.00 0.00 H new ATOM 0 HB3 ASN A 94 3.591 21.413 9.538 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.709 24.602 11.528 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.870 23.354 11.064 1.00 0.00 H new ATOM 1422 N CYS A 95 1.643 18.014 10.175 1.00 0.00 N ATOM 1423 CA CYS A 95 1.881 16.757 9.470 1.00 0.00 C ATOM 1424 C CYS A 95 1.583 16.952 7.988 1.00 0.00 C ATOM 1425 O CYS A 95 0.461 17.274 7.600 1.00 0.00 O ATOM 1426 CB CYS A 95 1.060 15.589 10.011 1.00 0.00 C ATOM 1427 SG CYS A 95 1.594 14.966 11.619 1.00 0.00 S ATOM 0 H CYS A 95 0.747 18.068 10.659 1.00 0.00 H new ATOM 0 HA CYS A 95 2.927 16.496 9.628 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.018 15.900 10.086 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.098 14.772 9.290 1.00 0.00 H new ATOM 1432 N ALA A 96 2.599 16.722 7.166 1.00 0.00 N ATOM 1433 CA ALA A 96 2.541 16.795 5.715 1.00 0.00 C ATOM 1434 C ALA A 96 3.025 15.465 5.143 1.00 0.00 C ATOM 1435 O ALA A 96 3.807 14.768 5.793 1.00 0.00 O ATOM 1436 CB ALA A 96 3.390 17.968 5.226 1.00 0.00 C ATOM 0 H ALA A 96 3.525 16.469 7.509 1.00 0.00 H new ATOM 0 HA ALA A 96 1.520 16.967 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.345 18.021 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.007 18.896 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.424 17.825 5.540 1.00 0.00 H new ATOM 1442 N TYR A 97 2.549 15.083 3.957 1.00 0.00 N ATOM 1443 CA TYR A 97 2.783 13.754 3.414 1.00 0.00 C ATOM 1444 C TYR A 97 3.279 13.834 1.969 1.00 0.00 C ATOM 1445 O TYR A 97 2.527 14.156 1.053 1.00 0.00 O ATOM 1446 CB TYR A 97 1.498 12.916 3.572 1.00 0.00 C ATOM 1447 CG TYR A 97 1.697 11.554 4.201 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.343 11.447 5.443 1.00 0.00 C ATOM 1449 CD2 TYR A 97 1.113 10.412 3.626 1.00 0.00 C ATOM 1450 CE1 TYR A 97 2.537 10.187 6.030 1.00 0.00 C ATOM 1451 CE2 TYR A 97 1.299 9.151 4.216 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.016 9.036 5.417 1.00 0.00 C ATOM 1453 OH TYR A 97 2.120 7.828 6.031 1.00 0.00 O ATOM 0 H TYR A 97 1.993 15.687 3.352 1.00 0.00 H new ATOM 0 HA TYR A 97 3.576 13.254 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.787 13.479 4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.045 12.783 2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.691 12.336 5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.520 10.504 2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.088 10.102 6.955 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.890 8.269 3.745 1.00 0.00 H new ATOM 0 HH TYR A 97 2.154 7.956 7.002 1.00 0.00 H new ATOM 1463 N LYS A 98 4.564 13.528 1.771 1.00 0.00 N ATOM 1464 CA LYS A 98 5.147 13.337 0.463 1.00 0.00 C ATOM 1465 C LYS A 98 4.453 12.153 -0.209 1.00 0.00 C ATOM 1466 O LYS A 98 4.050 11.219 0.480 1.00 0.00 O ATOM 1467 CB LYS A 98 6.676 13.178 0.569 1.00 0.00 C ATOM 1468 CG LYS A 98 7.348 12.669 -0.715 1.00 0.00 C ATOM 1469 CD LYS A 98 8.872 12.708 -0.546 1.00 0.00 C ATOM 1470 CE LYS A 98 9.603 12.141 -1.769 1.00 0.00 C ATOM 1471 NZ LYS A 98 9.331 10.705 -1.966 1.00 0.00 N ATOM 0 H LYS A 98 5.229 13.407 2.534 1.00 0.00 H new ATOM 0 HA LYS A 98 4.989 14.214 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.112 14.140 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.903 12.488 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.021 11.652 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.050 13.285 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.191 13.737 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.153 12.138 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.299 12.692 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.676 12.293 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.183 10.238 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.068 10.274 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.550 10.589 -2.643 1.00 0.00 H new ATOM 1485 N THR A 99 4.311 12.192 -1.538 1.00 0.00 N ATOM 1486 CA THR A 99 3.757 11.108 -2.330 1.00 0.00 C ATOM 1487 C THR A 99 4.615 10.865 -3.570 1.00 0.00 C ATOM 1488 O THR A 99 5.138 11.813 -4.154 1.00 0.00 O ATOM 1489 CB THR A 99 2.292 11.406 -2.657 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.679 10.259 -3.204 1.00 0.00 O ATOM 1491 CG2 THR A 99 2.094 12.565 -3.633 1.00 0.00 C ATOM 0 H THR A 99 4.586 12.999 -2.098 1.00 0.00 H new ATOM 0 HA THR A 99 3.774 10.179 -1.760 1.00 0.00 H new ATOM 0 HB THR A 99 1.834 11.696 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.382 9.670 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.029 12.712 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.519 13.475 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.593 12.337 -4.575 1.00 0.00 H new ATOM 1499 N THR A 100 4.750 9.591 -3.941 1.00 0.00 N ATOM 1500 CA THR A 100 5.528 9.085 -5.053 1.00 0.00 C ATOM 1501 C THR A 100 4.614 8.172 -5.874 1.00 0.00 C ATOM 1502 O THR A 100 4.365 7.038 -5.462 1.00 0.00 O ATOM 1503 CB THR A 100 6.718 8.287 -4.494 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.476 9.082 -3.599 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.622 7.798 -5.629 1.00 0.00 C ATOM 0 H THR A 100 4.283 8.841 -3.432 1.00 0.00 H new ATOM 0 HA THR A 100 5.908 9.892 -5.680 1.00 0.00 H new ATOM 0 HB THR A 100 6.320 7.425 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.310 8.619 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.458 7.236 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.050 7.155 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.003 8.654 -6.186 1.00 0.00 H new ATOM 1513 N GLN A 101 4.116 8.642 -7.024 1.00 0.00 N ATOM 1514 CA GLN A 101 3.399 7.778 -7.957 1.00 0.00 C ATOM 1515 C GLN A 101 4.390 7.084 -8.880 1.00 0.00 C ATOM 1516 O GLN A 101 5.235 7.748 -9.476 1.00 0.00 O ATOM 1517 CB GLN A 101 2.317 8.538 -8.738 1.00 0.00 C ATOM 1518 CG GLN A 101 1.298 9.140 -7.759 1.00 0.00 C ATOM 1519 CD GLN A 101 -0.110 9.295 -8.340 1.00 0.00 C ATOM 1520 OE1 GLN A 101 -1.045 8.676 -7.842 1.00 0.00 O ATOM 1521 NE2 GLN A 101 -0.295 10.115 -9.369 1.00 0.00 N ATOM 0 H GLN A 101 4.198 9.613 -7.326 1.00 0.00 H new ATOM 0 HA GLN A 101 2.871 7.017 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.773 9.328 -9.335 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.815 7.864 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.246 8.509 -6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.655 10.117 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.497 10.620 -9.768 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.229 10.240 -9.760 1.00 0.00 H new ATOM 1530 N VAL A 102 4.289 5.757 -8.992 1.00 0.00 N ATOM 1531 CA VAL A 102 5.134 4.970 -9.871 1.00 0.00 C ATOM 1532 C VAL A 102 4.329 3.797 -10.429 1.00 0.00 C ATOM 1533 O VAL A 102 3.463 3.250 -9.743 1.00 0.00 O ATOM 1534 CB VAL A 102 6.427 4.556 -9.143 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.164 3.739 -7.873 1.00 0.00 C ATOM 1536 CG2 VAL A 102 7.370 3.772 -10.064 1.00 0.00 C ATOM 0 H VAL A 102 3.612 5.202 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 102 5.458 5.563 -10.727 1.00 0.00 H new ATOM 0 HB VAL A 102 6.904 5.491 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.113 3.478 -7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.567 4.329 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.624 2.828 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.271 3.498 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.869 2.869 -10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.641 4.391 -10.919 1.00 0.00 H new ATOM 1546 N GLU A 103 4.605 3.457 -11.692 1.00 0.00 N ATOM 1547 CA GLU A 103 3.978 2.390 -12.451 1.00 0.00 C ATOM 1548 C GLU A 103 5.016 1.297 -12.660 1.00 0.00 C ATOM 1549 O GLU A 103 5.953 1.523 -13.420 1.00 0.00 O ATOM 1550 CB GLU A 103 3.507 2.936 -13.806 1.00 0.00 C ATOM 1551 CG GLU A 103 2.426 4.009 -13.632 1.00 0.00 C ATOM 1552 CD GLU A 103 1.924 4.582 -14.957 1.00 0.00 C ATOM 1553 OE1 GLU A 103 2.200 3.956 -16.003 1.00 0.00 O ATOM 1554 OE2 GLU A 103 1.257 5.640 -14.894 1.00 0.00 O ATOM 0 H GLU A 103 5.313 3.952 -12.235 1.00 0.00 H new ATOM 0 HA GLU A 103 3.114 1.991 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.356 3.357 -14.345 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.117 2.119 -14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.584 3.582 -13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.823 4.819 -13.021 1.00 0.00 H new ATOM 1561 N LYS A 104 4.874 0.138 -12.007 1.00 0.00 N ATOM 1562 CA LYS A 104 5.780 -0.989 -12.178 1.00 0.00 C ATOM 1563 C LYS A 104 5.276 -2.147 -11.330 1.00 0.00 C ATOM 1564 O LYS A 104 4.166 -2.097 -10.804 1.00 0.00 O ATOM 1565 CB LYS A 104 7.251 -0.634 -11.856 1.00 0.00 C ATOM 1566 CG LYS A 104 8.138 -0.662 -13.113 1.00 0.00 C ATOM 1567 CD LYS A 104 8.388 -2.092 -13.618 1.00 0.00 C ATOM 1568 CE LYS A 104 9.277 -2.106 -14.866 1.00 0.00 C ATOM 1569 NZ LYS A 104 8.607 -1.488 -16.026 1.00 0.00 N ATOM 0 H LYS A 104 4.121 -0.039 -11.342 1.00 0.00 H new ATOM 0 HA LYS A 104 5.783 -1.277 -13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.294 0.357 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.641 -1.338 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.665 -0.078 -13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.093 -0.185 -12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.859 -2.679 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.435 -2.569 -13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.205 -1.574 -14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.547 -3.134 -15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.174 -1.652 -16.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.665 -1.911 -16.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.509 -0.465 -15.866 1.00 0.00 H new ATOM 1583 N HIS A 105 6.077 -3.203 -11.225 1.00 0.00 N ATOM 1584 CA HIS A 105 5.715 -4.370 -10.444 1.00 0.00 C ATOM 1585 C HIS A 105 5.807 -4.044 -8.964 1.00 0.00 C ATOM 1586 O HIS A 105 6.632 -3.228 -8.549 1.00 0.00 O ATOM 1587 CB HIS A 105 6.615 -5.560 -10.770 1.00 0.00 C ATOM 1588 CG HIS A 105 6.538 -6.006 -12.205 1.00 0.00 C ATOM 1589 ND1 HIS A 105 5.617 -6.898 -12.723 1.00 0.00 N ATOM 1590 CD2 HIS A 105 7.408 -5.660 -13.200 1.00 0.00 C ATOM 1591 CE1 HIS A 105 5.917 -7.077 -14.022 1.00 0.00 C ATOM 1592 NE2 HIS A 105 6.997 -6.335 -14.332 1.00 0.00 N ATOM 0 H HIS A 105 6.989 -3.269 -11.678 1.00 0.00 H new ATOM 0 HA HIS A 105 4.691 -4.644 -10.698 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.647 -5.298 -10.536 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.344 -6.396 -10.125 1.00 0.00 H new ATOM 0 HD1 HIS A 105 4.851 -7.339 -12.214 1.00 0.00 H new ATOM 0 HD2 HIS A 105 8.251 -4.990 -13.117 1.00 0.00 H new ATOM 0 HE1 HIS A 105 5.378 -7.714 -14.707 1.00 0.00 H new ATOM 1601 N ILE A 106 4.967 -4.723 -8.189 1.00 0.00 N ATOM 1602 CA ILE A 106 5.040 -4.741 -6.737 1.00 0.00 C ATOM 1603 C ILE A 106 5.300 -6.153 -6.233 1.00 0.00 C ATOM 1604 O ILE A 106 4.891 -7.132 -6.857 1.00 0.00 O ATOM 1605 CB ILE A 106 3.794 -4.108 -6.106 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.495 -4.884 -6.385 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.675 -2.671 -6.614 1.00 0.00 C ATOM 1608 CD1 ILE A 106 1.340 -4.383 -5.515 1.00 0.00 C ATOM 0 H ILE A 106 4.203 -5.286 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 106 5.885 -4.127 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 106 3.922 -4.135 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.229 -4.782 -7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.658 -5.946 -6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.794 -2.202 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.564 -2.109 -6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.582 -2.676 -7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.440 -4.955 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.596 -4.509 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.160 -3.328 -5.721 1.00 0.00 H new ATOM 1620 N ILE A 107 6.017 -6.228 -5.116 1.00 0.00 N ATOM 1621 CA ILE A 107 6.373 -7.435 -4.407 1.00 0.00 C ATOM 1622 C ILE A 107 5.662 -7.286 -3.066 1.00 0.00 C ATOM 1623 O ILE A 107 5.811 -6.271 -2.375 1.00 0.00 O ATOM 1624 CB ILE A 107 7.905 -7.557 -4.305 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.602 -7.821 -5.654 1.00 0.00 C ATOM 1626 CG2 ILE A 107 8.282 -8.745 -3.410 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.570 -6.658 -6.645 1.00 0.00 C ATOM 0 H ILE A 107 6.383 -5.392 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 107 6.068 -8.359 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 107 8.234 -6.597 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.642 -8.084 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 107 8.135 -8.688 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.367 -8.822 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.869 -8.595 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.878 -9.664 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.087 -6.946 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.535 -6.405 -6.876 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.065 -5.792 -6.206 1.00 0.00 H new ATOM 1639 N VAL A 108 4.823 -8.267 -2.747 1.00 0.00 N ATOM 1640 CA VAL A 108 3.839 -8.167 -1.678 1.00 0.00 C ATOM 1641 C VAL A 108 3.740 -9.530 -0.997 1.00 0.00 C ATOM 1642 O VAL A 108 4.002 -10.535 -1.641 1.00 0.00 O ATOM 1643 CB VAL A 108 2.482 -7.704 -2.266 1.00 0.00 C ATOM 1644 CG1 VAL A 108 2.170 -6.244 -1.933 1.00 0.00 C ATOM 1645 CG2 VAL A 108 2.423 -7.810 -3.799 1.00 0.00 C ATOM 0 H VAL A 108 4.809 -9.165 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 108 4.134 -7.428 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 108 1.756 -8.376 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.209 -5.969 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.128 -6.119 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.950 -5.603 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.448 -7.471 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.203 -7.187 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.576 -8.847 -4.098 1.00 0.00 H new ATOM 1655 N ALA A 109 3.398 -9.598 0.291 1.00 0.00 N ATOM 1656 CA ALA A 109 3.198 -10.854 1.002 1.00 0.00 C ATOM 1657 C ALA A 109 1.714 -11.170 1.076 1.00 0.00 C ATOM 1658 O ALA A 109 0.902 -10.265 1.298 1.00 0.00 O ATOM 1659 CB ALA A 109 3.813 -10.806 2.401 1.00 0.00 C ATOM 0 H ALA A 109 3.252 -8.773 0.872 1.00 0.00 H new ATOM 0 HA ALA A 109 3.704 -11.647 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.646 -11.758 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.884 -10.620 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.348 -10.005 2.976 1.00 0.00 H new ATOM 1665 N CYS A 110 1.383 -12.454 0.893 1.00 0.00 N ATOM 1666 CA CYS A 110 0.044 -12.980 1.126 1.00 0.00 C ATOM 1667 C CYS A 110 0.073 -13.857 2.371 1.00 0.00 C ATOM 1668 O CYS A 110 1.143 -14.178 2.885 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.572 -13.680 -0.098 1.00 0.00 C ATOM 1670 SG CYS A 110 -1.438 -12.498 -1.156 1.00 0.00 S ATOM 0 H CYS A 110 2.048 -13.159 0.576 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.630 -12.141 1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.212 -14.178 -0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.266 -14.453 0.232 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.106 -14.183 2.891 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.257 -14.806 4.197 1.00 0.00 C ATOM 1677 C GLY A 111 -1.437 -16.315 4.104 1.00 0.00 C ATOM 1678 O GLY A 111 -1.341 -16.903 3.027 1.00 0.00 O ATOM 0 H GLY A 111 -1.991 -14.020 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.380 -14.584 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.117 -14.371 4.707 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.710 -16.935 5.254 1.00 0.00 N ATOM 1683 CA GLY A 112 -2.194 -18.300 5.298 1.00 0.00 C ATOM 1684 C GLY A 112 -3.607 -18.311 4.720 1.00 0.00 C ATOM 1685 O GLY A 112 -4.226 -17.259 4.576 1.00 0.00 O ATOM 0 H GLY A 112 -1.600 -16.501 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.541 -18.956 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.197 -18.672 6.323 1.00 0.00 H new ATOM 1689 N LYS A 113 -4.100 -19.499 4.371 1.00 0.00 N ATOM 1690 CA LYS A 113 -5.352 -19.663 3.643 1.00 0.00 C ATOM 1691 C LYS A 113 -6.510 -18.882 4.291 1.00 0.00 C ATOM 1692 O LYS A 113 -6.618 -18.880 5.518 1.00 0.00 O ATOM 1693 CB LYS A 113 -5.677 -21.161 3.513 1.00 0.00 C ATOM 1694 CG LYS A 113 -5.971 -21.836 4.862 1.00 0.00 C ATOM 1695 CD LYS A 113 -6.183 -23.343 4.670 1.00 0.00 C ATOM 1696 CE LYS A 113 -6.518 -24.043 5.994 1.00 0.00 C ATOM 1697 NZ LYS A 113 -7.810 -23.592 6.547 1.00 0.00 N ATOM 0 H LYS A 113 -3.635 -20.381 4.589 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.228 -19.241 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.539 -21.284 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.839 -21.668 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.144 -21.663 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.859 -21.392 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.990 -23.509 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.283 -23.785 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.548 -25.121 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.726 -23.848 6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.079 -24.204 7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.722 -22.610 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.541 -23.644 5.809 1.00 0.00 H new ATOM 1711 N PRO A 114 -7.414 -18.266 3.508 1.00 0.00 N ATOM 1712 CA PRO A 114 -7.416 -18.197 2.051 1.00 0.00 C ATOM 1713 C PRO A 114 -6.402 -17.164 1.543 1.00 0.00 C ATOM 1714 O PRO A 114 -5.897 -16.350 2.308 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.845 -17.787 1.684 1.00 0.00 C ATOM 1716 CG PRO A 114 -9.280 -16.929 2.872 1.00 0.00 C ATOM 1717 CD PRO A 114 -8.580 -17.595 4.057 1.00 0.00 C ATOM 0 HA PRO A 114 -7.129 -19.145 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.875 -17.226 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.492 -18.655 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.971 -15.890 2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -10.363 -16.928 2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -8.289 -16.856 4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.242 -18.305 4.552 1.00 0.00 H new ATOM 1725 N SER A 115 -6.100 -17.194 0.243 1.00 0.00 N ATOM 1726 CA SER A 115 -5.158 -16.288 -0.393 1.00 0.00 C ATOM 1727 C SER A 115 -5.603 -14.826 -0.251 1.00 0.00 C ATOM 1728 O SER A 115 -6.436 -14.360 -1.028 1.00 0.00 O ATOM 1729 CB SER A 115 -5.033 -16.690 -1.869 1.00 0.00 C ATOM 1730 OG SER A 115 -4.978 -18.102 -1.973 1.00 0.00 O ATOM 0 H SER A 115 -6.515 -17.864 -0.404 1.00 0.00 H new ATOM 0 HA SER A 115 -4.187 -16.364 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.882 -16.306 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.136 -16.248 -2.302 1.00 0.00 H new ATOM 0 HG SER A 115 -4.900 -18.358 -2.916 1.00 0.00 H new ATOM 1736 N VAL A 116 -5.041 -14.098 0.719 1.00 0.00 N ATOM 1737 CA VAL A 116 -5.318 -12.685 0.947 1.00 0.00 C ATOM 1738 C VAL A 116 -3.992 -11.923 1.098 1.00 0.00 C ATOM 1739 O VAL A 116 -3.055 -12.497 1.656 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.229 -12.521 2.179 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.584 -13.208 1.973 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.596 -13.047 3.477 1.00 0.00 C ATOM 0 H VAL A 116 -4.367 -14.487 1.379 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.849 -12.263 0.094 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.372 -11.446 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.200 -13.072 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.087 -12.769 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.429 -14.273 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.290 -12.901 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.377 -14.109 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.672 -12.504 3.677 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.893 -10.673 0.600 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.704 -9.830 0.695 1.00 0.00 C ATOM 1754 C PRO A 117 -2.569 -9.271 2.108 1.00 0.00 C ATOM 1755 O PRO A 117 -3.580 -9.011 2.758 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.922 -8.718 -0.333 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.436 -8.524 -0.292 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.948 -9.953 -0.101 1.00 0.00 C ATOM 0 HA PRO A 117 -1.783 -10.377 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.388 -7.806 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.577 -9.009 -1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.739 -7.871 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.813 -8.077 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.874 -9.961 0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -5.166 -10.420 -1.061 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.337 -9.093 2.597 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.111 -8.819 4.009 1.00 0.00 C ATOM 1768 C VAL A 118 0.192 -8.060 4.322 1.00 0.00 C ATOM 1769 O VAL A 118 0.340 -7.577 5.444 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.347 -10.128 4.801 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.756 -11.340 4.090 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -0.788 -10.200 6.213 1.00 0.00 C ATOM 0 H VAL A 118 -0.488 -9.135 2.033 1.00 0.00 H new ATOM 0 HA VAL A 118 -1.840 -8.086 4.354 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.435 -10.132 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.945 -12.236 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.219 -11.448 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.319 -11.204 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.026 -11.170 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.294 -10.071 6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.231 -9.411 6.820 1.00 0.00 H new ATOM 1782 N HIS A 119 1.120 -7.887 3.370 1.00 0.00 N ATOM 1783 CA HIS A 119 2.261 -6.984 3.577 1.00 0.00 C ATOM 1784 C HIS A 119 2.739 -6.381 2.263 1.00 0.00 C ATOM 1785 O HIS A 119 2.783 -7.081 1.259 1.00 0.00 O ATOM 1786 CB HIS A 119 3.417 -7.713 4.280 1.00 0.00 C ATOM 1787 CG HIS A 119 4.302 -6.829 5.127 1.00 0.00 C ATOM 1788 ND1 HIS A 119 5.217 -5.891 4.678 1.00 0.00 N ATOM 1789 CD2 HIS A 119 4.409 -6.901 6.488 1.00 0.00 C ATOM 1790 CE1 HIS A 119 5.860 -5.401 5.753 1.00 0.00 C ATOM 1791 NE2 HIS A 119 5.385 -5.999 6.861 1.00 0.00 N ATOM 0 H HIS A 119 1.105 -8.352 2.463 1.00 0.00 H new ATOM 0 HA HIS A 119 1.921 -6.171 4.218 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.002 -8.499 4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 119 4.032 -8.202 3.525 1.00 0.00 H new ATOM 0 HD1 HIS A 119 5.375 -5.621 3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 119 3.839 -7.541 7.145 1.00 0.00 H new ATOM 0 HE1 HIS A 119 6.634 -4.648 5.731 1.00 0.00 H new ATOM 1800 N PHE A 120 3.128 -5.103 2.272 1.00 0.00 N ATOM 1801 CA PHE A 120 3.839 -4.487 1.160 1.00 0.00 C ATOM 1802 C PHE A 120 5.316 -4.736 1.422 1.00 0.00 C ATOM 1803 O PHE A 120 5.825 -4.286 2.446 1.00 0.00 O ATOM 1804 CB PHE A 120 3.538 -2.984 1.073 1.00 0.00 C ATOM 1805 CG PHE A 120 4.306 -2.252 -0.019 1.00 0.00 C ATOM 1806 CD1 PHE A 120 4.218 -2.678 -1.359 1.00 0.00 C ATOM 1807 CD2 PHE A 120 5.116 -1.147 0.303 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.960 -2.026 -2.360 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.839 -0.481 -0.702 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.771 -0.927 -2.033 1.00 0.00 C ATOM 0 H PHE A 120 2.956 -4.470 3.053 1.00 0.00 H new ATOM 0 HA PHE A 120 3.527 -4.913 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.470 -2.849 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.768 -2.523 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.578 -3.509 -1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.182 -0.809 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.906 -2.371 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.448 0.375 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.341 -0.426 -2.802 1.00 0.00 H new ATOM 1820 N ASP A 121 5.979 -5.512 0.565 1.00 0.00 N ATOM 1821 CA ASP A 121 7.419 -5.706 0.672 1.00 0.00 C ATOM 1822 C ASP A 121 8.127 -4.531 0.002 1.00 0.00 C ATOM 1823 O ASP A 121 8.862 -3.805 0.667 1.00 0.00 O ATOM 1824 CB ASP A 121 7.838 -7.047 0.065 1.00 0.00 C ATOM 1825 CG ASP A 121 9.332 -7.300 0.236 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.707 -7.783 1.327 1.00 0.00 O ATOM 1827 OD2 ASP A 121 10.071 -7.014 -0.731 1.00 0.00 O ATOM 0 H ASP A 121 5.541 -6.014 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 121 7.709 -5.737 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.276 -7.852 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.585 -7.062 -0.995 1.00 0.00 H new ATOM 1832 N ALA A 122 7.908 -4.341 -1.304 1.00 0.00 N ATOM 1833 CA ALA A 122 8.563 -3.281 -2.066 1.00 0.00 C ATOM 1834 C ALA A 122 7.969 -3.178 -3.470 1.00 0.00 C ATOM 1835 O ALA A 122 7.174 -4.021 -3.882 1.00 0.00 O ATOM 1836 CB ALA A 122 10.068 -3.569 -2.175 1.00 0.00 C ATOM 0 H ALA A 122 7.274 -4.917 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 122 8.404 -2.338 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.550 -2.774 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.503 -3.615 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.220 -4.522 -2.681 1.00 0.00 H new ATOM 1842 N SER A 123 8.362 -2.142 -4.211 1.00 0.00 N ATOM 1843 CA SER A 123 8.156 -2.035 -5.645 1.00 0.00 C ATOM 1844 C SER A 123 9.232 -2.878 -6.346 1.00 0.00 C ATOM 1845 O SER A 123 10.078 -3.475 -5.680 1.00 0.00 O ATOM 1846 CB SER A 123 8.265 -0.549 -6.010 1.00 0.00 C ATOM 1847 OG SER A 123 9.250 0.070 -5.198 1.00 0.00 O ATOM 0 H SER A 123 8.845 -1.336 -3.815 1.00 0.00 H new ATOM 0 HA SER A 123 7.180 -2.405 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.527 -0.441 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.302 -0.058 -5.869 1.00 0.00 H new ATOM 0 HG SER A 123 9.319 1.019 -5.434 1.00 0.00 H new ATOM 1853 N VAL A 124 9.217 -2.927 -7.684 1.00 0.00 N ATOM 1854 CA VAL A 124 10.259 -3.580 -8.474 1.00 0.00 C ATOM 1855 C VAL A 124 11.674 -3.281 -7.950 1.00 0.00 C ATOM 1856 O VAL A 124 11.929 -2.105 -7.606 1.00 0.00 O ATOM 1857 CB VAL A 124 10.101 -3.202 -9.959 1.00 0.00 C ATOM 1858 CG1 VAL A 124 10.414 -1.723 -10.229 1.00 0.00 C ATOM 1859 CG2 VAL A 124 10.983 -4.085 -10.850 1.00 0.00 C ATOM 1860 OXT VAL A 124 12.481 -4.235 -7.925 1.00 0.00 O ATOM 0 H VAL A 124 8.476 -2.511 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 124 10.132 -4.658 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 124 9.053 -3.371 -10.205 1.00 0.00 H new ATOM 0 HG11 VAL A 124 10.287 -1.512 -11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.735 -1.096 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.442 -1.510 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.851 -3.796 -11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.028 -3.958 -10.567 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.697 -5.129 -10.724 1.00 0.00 H new TER 1870 VAL A 124