USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0271) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -110:sc= 0.0628 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0569 (180deg=-0.37) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -0.857 (180deg=-2.24!) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0342) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.0101 (180deg=-0.283) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -0.112 (180deg=-0.179) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0.0364 (180deg=0.00452) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= -0.0026 (180deg=-0.0788) USER MOD Single : A 101 HTS O1 : rot 171:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.774 -3.358 14.006 1.00 0.00 N ATOM 2 CA GLY A 1 -17.618 -3.255 12.529 1.00 0.00 C ATOM 3 C GLY A 1 -16.321 -2.581 12.129 1.00 0.00 C ATOM 4 O GLY A 1 -16.172 -1.368 12.278 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.676 -3.826 14.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.989 -3.915 14.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.766 -2.405 14.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.655 -4.253 12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.457 -2.695 12.116 1.00 0.00 H new ATOM 10 N SER A 2 -15.381 -3.368 11.619 1.00 0.00 N ATOM 11 CA SER A 2 -14.088 -2.841 11.196 1.00 0.00 C ATOM 12 C SER A 2 -13.924 -2.955 9.683 1.00 0.00 C ATOM 13 O SER A 2 -14.320 -3.951 9.079 1.00 0.00 O ATOM 14 CB SER A 2 -12.955 -3.587 11.901 1.00 0.00 C ATOM 15 OG SER A 2 -13.110 -3.537 13.309 1.00 0.00 O ATOM 0 H SER A 2 -15.489 -4.374 11.488 1.00 0.00 H new ATOM 0 HA SER A 2 -14.045 -1.787 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.938 -4.626 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.997 -3.148 11.622 1.00 0.00 H new ATOM 0 HG SER A 2 -12.374 -4.023 13.737 1.00 0.00 H new ATOM 21 N ARG A 3 -13.338 -1.927 9.079 1.00 0.00 N ATOM 22 CA ARG A 3 -13.121 -1.911 7.637 1.00 0.00 C ATOM 23 C ARG A 3 -11.874 -1.105 7.284 1.00 0.00 C ATOM 24 O ARG A 3 -10.964 -1.606 6.624 1.00 0.00 O ATOM 25 CB ARG A 3 -14.344 -1.330 6.924 1.00 0.00 C ATOM 26 CG ARG A 3 -14.997 -2.298 5.949 1.00 0.00 C ATOM 27 CD ARG A 3 -14.322 -2.259 4.587 1.00 0.00 C ATOM 28 NE ARG A 3 -15.294 -2.205 3.497 1.00 0.00 N ATOM 29 CZ ARG A 3 -16.057 -1.147 3.236 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.966 -0.054 3.983 1.00 0.00 N ATOM 31 NH2 ARG A 3 -16.915 -1.181 2.225 1.00 0.00 N ATOM 0 H ARG A 3 -13.005 -1.094 9.565 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.971 -2.938 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.079 -1.027 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.047 -0.430 6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.948 -3.310 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.053 -2.049 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.666 -1.390 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.693 -3.141 4.469 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.393 -3.027 2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.308 -0.022 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.554 0.754 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.990 -2.018 1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.500 -0.370 2.025 1.00 0.00 H new ATOM 45 N VAL A 4 -11.840 0.148 7.727 1.00 0.00 N ATOM 46 CA VAL A 4 -10.706 1.025 7.455 1.00 0.00 C ATOM 47 C VAL A 4 -9.578 0.792 8.456 1.00 0.00 C ATOM 48 O VAL A 4 -8.401 0.933 8.122 1.00 0.00 O ATOM 49 CB VAL A 4 -11.119 2.507 7.504 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.984 3.395 7.018 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.376 2.738 6.679 1.00 0.00 C ATOM 0 H VAL A 4 -12.584 0.579 8.276 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.354 0.785 6.452 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.337 2.770 8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.295 4.439 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.111 3.251 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.731 3.133 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.653 3.791 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.188 2.458 5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.189 2.131 7.077 1.00 0.00 H new ATOM 61 N LYS A 5 -9.944 0.434 9.682 1.00 0.00 N ATOM 62 CA LYS A 5 -8.963 0.180 10.730 1.00 0.00 C ATOM 63 C LYS A 5 -7.992 -0.921 10.313 1.00 0.00 C ATOM 64 O LYS A 5 -6.816 -0.896 10.675 1.00 0.00 O ATOM 65 CB LYS A 5 -9.664 -0.209 12.032 1.00 0.00 C ATOM 66 CG LYS A 5 -8.772 -0.104 13.259 1.00 0.00 C ATOM 67 CD LYS A 5 -9.591 -0.018 14.538 1.00 0.00 C ATOM 68 CE LYS A 5 -9.528 -1.316 15.327 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.084 -2.463 14.557 1.00 0.00 N ATOM 0 H LYS A 5 -10.914 0.313 9.974 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.396 1.097 10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.535 0.431 12.171 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.030 -1.232 11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.112 -0.970 13.306 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.136 0.777 13.173 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.221 0.802 15.154 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.628 0.210 14.293 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.493 -1.527 15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.082 -1.202 16.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.116 -3.306 15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.045 -2.231 14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.479 -2.654 13.733 1.00 0.00 H new ATOM 83 N ALA A 6 -8.495 -1.884 9.548 1.00 0.00 N ATOM 84 CA ALA A 6 -7.676 -2.993 9.078 1.00 0.00 C ATOM 85 C ALA A 6 -6.867 -2.597 7.847 1.00 0.00 C ATOM 86 O ALA A 6 -5.812 -3.169 7.577 1.00 0.00 O ATOM 87 CB ALA A 6 -8.550 -4.201 8.771 1.00 0.00 C ATOM 0 H ALA A 6 -9.467 -1.918 9.241 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.976 -3.256 9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.925 -5.023 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.079 -4.507 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.273 -3.940 7.998 1.00 0.00 H new ATOM 93 N LEU A 7 -7.369 -1.619 7.101 1.00 0.00 N ATOM 94 CA LEU A 7 -6.693 -1.147 5.897 1.00 0.00 C ATOM 95 C LEU A 7 -5.335 -0.538 6.234 1.00 0.00 C ATOM 96 O LEU A 7 -4.407 -0.580 5.425 1.00 0.00 O ATOM 97 CB LEU A 7 -7.561 -0.114 5.177 1.00 0.00 C ATOM 98 CG LEU A 7 -7.473 -0.143 3.650 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.408 0.891 3.043 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.043 0.097 3.196 1.00 0.00 C ATOM 0 H LEU A 7 -8.243 -1.137 7.309 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.532 -2.003 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.600 -0.269 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.278 0.880 5.523 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.782 -1.129 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.332 0.856 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.433 0.675 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.129 1.884 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.998 0.073 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.707 1.071 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.397 -0.681 3.603 1.00 0.00 H new ATOM 112 N GLU A 8 -5.226 0.032 7.429 1.00 0.00 N ATOM 113 CA GLU A 8 -3.983 0.655 7.871 1.00 0.00 C ATOM 114 C GLU A 8 -2.919 -0.393 8.182 1.00 0.00 C ATOM 115 O GLU A 8 -1.728 -0.161 7.976 1.00 0.00 O ATOM 116 CB GLU A 8 -4.235 1.523 9.105 1.00 0.00 C ATOM 117 CG GLU A 8 -4.902 2.852 8.788 1.00 0.00 C ATOM 118 CD GLU A 8 -5.286 3.622 10.037 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.372 3.350 10.591 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.502 4.498 10.459 1.00 0.00 O ATOM 0 H GLU A 8 -5.984 0.076 8.110 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.616 1.282 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.860 0.970 9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.286 1.713 9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.227 3.459 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.794 2.673 8.187 1.00 0.00 H new ATOM 127 N GLU A 9 -3.354 -1.544 8.685 1.00 0.00 N ATOM 128 CA GLU A 9 -2.435 -2.626 9.029 1.00 0.00 C ATOM 129 C GLU A 9 -1.965 -3.378 7.784 1.00 0.00 C ATOM 130 O GLU A 9 -0.947 -4.070 7.814 1.00 0.00 O ATOM 131 CB GLU A 9 -3.104 -3.595 10.011 1.00 0.00 C ATOM 132 CG GLU A 9 -4.219 -4.426 9.397 1.00 0.00 C ATOM 133 CD GLU A 9 -4.281 -5.830 9.967 1.00 0.00 C ATOM 134 OE1 GLU A 9 -4.715 -5.980 11.129 1.00 0.00 O ATOM 135 OE2 GLU A 9 -3.895 -6.778 9.253 1.00 0.00 O ATOM 0 H GLU A 9 -4.336 -1.752 8.864 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.559 -2.183 9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.346 -4.265 10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.508 -3.026 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.174 -3.927 9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.074 -4.482 8.318 1.00 0.00 H new ATOM 142 N LYS A 10 -2.718 -3.250 6.696 1.00 0.00 N ATOM 143 CA LYS A 10 -2.388 -3.927 5.446 1.00 0.00 C ATOM 144 C LYS A 10 -1.148 -3.321 4.793 1.00 0.00 C ATOM 145 O LYS A 10 -0.261 -4.042 4.336 1.00 0.00 O ATOM 146 CB LYS A 10 -3.575 -3.852 4.482 1.00 0.00 C ATOM 147 CG LYS A 10 -4.249 -5.194 4.241 1.00 0.00 C ATOM 148 CD LYS A 10 -4.951 -5.699 5.492 1.00 0.00 C ATOM 149 CE LYS A 10 -4.174 -6.827 6.152 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.076 -7.887 6.681 1.00 0.00 N ATOM 0 H LYS A 10 -3.564 -2.682 6.655 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.171 -4.970 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.310 -3.151 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.233 -3.450 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.972 -5.099 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.505 -5.923 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.072 -4.878 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.951 -6.048 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.485 -7.264 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.570 -6.425 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.065 -7.865 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.045 -7.720 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.749 -8.818 6.351 1.00 0.00 H new ATOM 164 N VAL A 11 -1.098 -1.994 4.743 1.00 0.00 N ATOM 165 CA VAL A 11 0.027 -1.292 4.133 1.00 0.00 C ATOM 166 C VAL A 11 1.233 -1.250 5.061 1.00 0.00 C ATOM 167 O VAL A 11 2.373 -1.207 4.608 1.00 0.00 O ATOM 168 CB VAL A 11 -0.351 0.148 3.735 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.771 0.797 2.938 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.653 0.162 2.946 1.00 0.00 C ATOM 0 H VAL A 11 -1.823 -1.382 5.117 1.00 0.00 H new ATOM 0 HA VAL A 11 0.288 -1.853 3.236 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.499 0.728 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.484 1.813 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.678 0.825 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.956 0.218 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.903 1.188 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.537 -0.435 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.453 -0.257 3.557 1.00 0.00 H new ATOM 180 N LYS A 12 0.973 -1.260 6.358 1.00 0.00 N ATOM 181 CA LYS A 12 2.041 -1.225 7.354 1.00 0.00 C ATOM 182 C LYS A 12 2.901 -2.475 7.244 1.00 0.00 C ATOM 183 O LYS A 12 4.119 -2.423 7.420 1.00 0.00 O ATOM 184 CB LYS A 12 1.453 -1.106 8.762 1.00 0.00 C ATOM 185 CG LYS A 12 1.965 0.100 9.535 1.00 0.00 C ATOM 186 CD LYS A 12 2.610 -0.309 10.850 1.00 0.00 C ATOM 187 CE LYS A 12 1.568 -0.730 11.874 1.00 0.00 C ATOM 188 NZ LYS A 12 0.689 0.405 12.271 1.00 0.00 N ATOM 0 H LYS A 12 0.032 -1.292 6.750 1.00 0.00 H new ATOM 0 HA LYS A 12 2.666 -0.352 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.367 -1.046 8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.686 -2.012 9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.690 0.642 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.139 0.784 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.304 -1.131 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.194 0.523 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.958 -1.534 11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.067 -1.129 12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.234 0.190 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.259 1.270 12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.041 0.549 11.545 1.00 0.00 H new ATOM 202 N ALA A 13 2.261 -3.594 6.926 1.00 0.00 N ATOM 203 CA ALA A 13 2.969 -4.857 6.761 1.00 0.00 C ATOM 204 C ALA A 13 3.589 -4.918 5.371 1.00 0.00 C ATOM 205 O ALA A 13 4.595 -5.590 5.145 1.00 0.00 O ATOM 206 CB ALA A 13 2.025 -6.029 6.979 1.00 0.00 C ATOM 0 H ALA A 13 1.254 -3.652 6.777 1.00 0.00 H new ATOM 0 HA ALA A 13 3.763 -4.920 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.570 -6.964 6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.614 -5.983 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.213 -5.982 6.254 1.00 0.00 H new ATOM 212 N LEU A 14 2.967 -4.192 4.449 1.00 0.00 N ATOM 213 CA LEU A 14 3.417 -4.118 3.070 1.00 0.00 C ATOM 214 C LEU A 14 4.794 -3.461 2.980 1.00 0.00 C ATOM 215 O LEU A 14 5.546 -3.696 2.035 1.00 0.00 O ATOM 216 CB LEU A 14 2.392 -3.321 2.261 1.00 0.00 C ATOM 217 CG LEU A 14 2.349 -3.622 0.764 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.046 -3.114 0.164 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.540 -3.002 0.055 1.00 0.00 C ATOM 0 H LEU A 14 2.133 -3.637 4.641 1.00 0.00 H new ATOM 0 HA LEU A 14 3.505 -5.126 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.403 -3.508 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.599 -2.259 2.393 1.00 0.00 H new ATOM 0 HG LEU A 14 2.399 -4.702 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.027 -3.334 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.205 -3.607 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.972 -2.037 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.488 -3.229 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.525 -1.921 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.462 -3.410 0.469 1.00 0.00 H new ATOM 231 N GLU A 15 5.113 -2.632 3.970 1.00 0.00 N ATOM 232 CA GLU A 15 6.390 -1.931 4.012 1.00 0.00 C ATOM 233 C GLU A 15 7.507 -2.859 4.478 1.00 0.00 C ATOM 234 O GLU A 15 8.588 -2.888 3.889 1.00 0.00 O ATOM 235 CB GLU A 15 6.286 -0.713 4.936 1.00 0.00 C ATOM 236 CG GLU A 15 7.616 -0.025 5.202 1.00 0.00 C ATOM 237 CD GLU A 15 7.467 1.221 6.053 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.580 2.046 5.749 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.240 1.373 7.023 1.00 0.00 O ATOM 0 H GLU A 15 4.499 -2.429 4.759 1.00 0.00 H new ATOM 0 HA GLU A 15 6.633 -1.594 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.597 0.008 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.854 -1.026 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.289 -0.723 5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.080 0.241 4.252 1.00 0.00 H new ATOM 246 N GLU A 16 7.242 -3.619 5.536 1.00 0.00 N ATOM 247 CA GLU A 16 8.228 -4.549 6.076 1.00 0.00 C ATOM 248 C GLU A 16 8.777 -5.459 4.979 1.00 0.00 C ATOM 249 O GLU A 16 9.903 -5.947 5.069 1.00 0.00 O ATOM 250 CB GLU A 16 7.607 -5.392 7.192 1.00 0.00 C ATOM 251 CG GLU A 16 6.953 -4.565 8.286 1.00 0.00 C ATOM 252 CD GLU A 16 7.173 -5.149 9.668 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.228 -4.861 10.272 1.00 0.00 O ATOM 254 OE2 GLU A 16 6.293 -5.895 10.145 1.00 0.00 O ATOM 0 H GLU A 16 6.353 -3.609 6.036 1.00 0.00 H new ATOM 0 HA GLU A 16 9.053 -3.967 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.863 -6.061 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.380 -6.019 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.351 -3.551 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.883 -4.493 8.092 1.00 0.00 H new ATOM 261 N LYS A 17 7.972 -5.680 3.944 1.00 0.00 N ATOM 262 CA LYS A 17 8.373 -6.530 2.829 1.00 0.00 C ATOM 263 C LYS A 17 9.355 -5.804 1.914 1.00 0.00 C ATOM 264 O LYS A 17 10.399 -6.348 1.551 1.00 0.00 O ATOM 265 CB LYS A 17 7.144 -6.970 2.033 1.00 0.00 C ATOM 266 CG LYS A 17 7.245 -8.386 1.490 1.00 0.00 C ATOM 267 CD LYS A 17 6.410 -9.358 2.308 1.00 0.00 C ATOM 268 CE LYS A 17 7.125 -10.687 2.494 1.00 0.00 C ATOM 269 NZ LYS A 17 7.148 -11.486 1.238 1.00 0.00 N ATOM 0 H LYS A 17 7.037 -5.282 3.855 1.00 0.00 H new ATOM 0 HA LYS A 17 8.870 -7.411 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.263 -6.896 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.994 -6.281 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.912 -8.403 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.287 -8.706 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.192 -8.921 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.454 -9.524 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.147 -10.506 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.630 -11.259 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.644 -12.384 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.173 -11.681 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.643 -10.952 0.496 1.00 0.00 H new ATOM 283 N VAL A 18 9.013 -4.575 1.541 1.00 0.00 N ATOM 284 CA VAL A 18 9.864 -3.775 0.664 1.00 0.00 C ATOM 285 C VAL A 18 11.125 -3.320 1.386 1.00 0.00 C ATOM 286 O VAL A 18 12.240 -3.574 0.932 1.00 0.00 O ATOM 287 CB VAL A 18 9.128 -2.534 0.135 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.850 -1.959 -1.074 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.683 -2.864 -0.205 1.00 0.00 C ATOM 0 H VAL A 18 8.153 -4.110 1.832 1.00 0.00 H new ATOM 0 HA VAL A 18 10.132 -4.417 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 18 9.124 -1.780 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.314 -1.081 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.864 -1.675 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.891 -2.709 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.183 -1.970 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.657 -3.639 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.171 -3.220 0.689 1.00 0.00 H new ATOM 299 N LYS A 19 10.942 -2.639 2.511 1.00 0.00 N ATOM 300 CA LYS A 19 12.067 -2.143 3.293 1.00 0.00 C ATOM 301 C LYS A 19 13.040 -3.268 3.647 1.00 0.00 C ATOM 302 O LYS A 19 14.202 -3.015 3.964 1.00 0.00 O ATOM 303 CB LYS A 19 11.567 -1.466 4.570 1.00 0.00 C ATOM 304 CG LYS A 19 11.073 -0.045 4.351 1.00 0.00 C ATOM 305 CD LYS A 19 11.783 0.948 5.260 1.00 0.00 C ATOM 306 CE LYS A 19 12.261 2.169 4.490 1.00 0.00 C ATOM 307 NZ LYS A 19 13.510 2.735 5.068 1.00 0.00 N ATOM 0 H LYS A 19 10.026 -2.418 2.902 1.00 0.00 H new ATOM 0 HA LYS A 19 12.600 -1.414 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.759 -2.062 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.373 -1.453 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.231 0.238 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.999 -0.001 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.107 1.261 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.634 0.462 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.434 1.897 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.481 2.930 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.803 3.566 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.339 3.018 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.262 2.017 5.040 1.00 0.00 H new ATOM 321 N ALA A 20 12.559 -4.507 3.594 1.00 0.00 N ATOM 322 CA ALA A 20 13.390 -5.661 3.910 1.00 0.00 C ATOM 323 C ALA A 20 14.060 -6.230 2.663 1.00 0.00 C ATOM 324 O ALA A 20 15.010 -7.006 2.761 1.00 0.00 O ATOM 325 CB ALA A 20 12.557 -6.733 4.597 1.00 0.00 C ATOM 0 H ALA A 20 11.599 -4.736 3.335 1.00 0.00 H new ATOM 0 HA ALA A 20 14.178 -5.330 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.188 -7.591 4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.137 -6.332 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.749 -7.045 3.936 1.00 0.00 H new ATOM 331 N LEU A 21 13.563 -5.846 1.489 1.00 0.00 N ATOM 332 CA LEU A 21 14.125 -6.331 0.234 1.00 0.00 C ATOM 333 C LEU A 21 15.051 -5.289 -0.390 1.00 0.00 C ATOM 334 O LEU A 21 16.079 -5.630 -0.975 1.00 0.00 O ATOM 335 CB LEU A 21 13.005 -6.715 -0.743 1.00 0.00 C ATOM 336 CG LEU A 21 12.376 -5.558 -1.522 1.00 0.00 C ATOM 337 CD1 LEU A 21 13.223 -5.205 -2.733 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.960 -5.913 -1.949 1.00 0.00 C ATOM 0 H LEU A 21 12.777 -5.204 1.382 1.00 0.00 H new ATOM 0 HA LEU A 21 14.717 -7.221 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.403 -7.435 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.219 -7.222 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 21 12.333 -4.687 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.759 -4.380 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.220 -4.909 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.299 -6.072 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.527 -5.079 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.983 -6.798 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.354 -6.117 -1.066 1.00 0.00 H new ATOM 350 N GLY A 22 14.682 -4.019 -0.258 1.00 0.00 N ATOM 351 CA GLY A 22 15.493 -2.950 -0.810 1.00 0.00 C ATOM 352 C GLY A 22 14.784 -2.184 -1.911 1.00 0.00 C ATOM 353 O GLY A 22 13.565 -2.018 -1.873 1.00 0.00 O ATOM 0 H GLY A 22 13.836 -3.711 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.768 -2.260 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.419 -3.369 -1.203 1.00 0.00 H new ATOM 357 N GLY A 23 15.550 -1.719 -2.892 1.00 0.00 N ATOM 358 CA GLY A 23 14.973 -0.972 -3.994 1.00 0.00 C ATOM 359 C GLY A 23 15.701 -1.211 -5.303 1.00 0.00 C ATOM 360 O GLY A 23 16.872 -1.589 -5.309 1.00 0.00 O ATOM 0 H GLY A 23 16.561 -1.846 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.926 -1.251 -4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.996 0.092 -3.759 1.00 0.00 H new ATOM 364 N GLY A 24 15.006 -0.990 -6.414 1.00 0.00 N ATOM 365 CA GLY A 24 15.610 -1.189 -7.718 1.00 0.00 C ATOM 366 C GLY A 24 14.648 -1.800 -8.718 1.00 0.00 C ATOM 367 O GLY A 24 14.049 -2.843 -8.457 1.00 0.00 O ATOM 0 H GLY A 24 14.036 -0.677 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.966 -0.232 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.482 -1.835 -7.616 1.00 0.00 H new ATOM 371 N GLY A 25 14.499 -1.148 -9.867 1.00 0.00 N ATOM 372 CA GLY A 25 13.603 -1.648 -10.893 1.00 0.00 C ATOM 373 C GLY A 25 12.150 -1.614 -10.461 1.00 0.00 C ATOM 374 O GLY A 25 11.662 -0.592 -9.979 1.00 0.00 O ATOM 0 H GLY A 25 14.983 -0.282 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.724 -1.053 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.880 -2.672 -11.145 1.00 0.00 H new ATOM 378 N ARG A 26 11.456 -2.734 -10.636 1.00 0.00 N ATOM 379 CA ARG A 26 10.048 -2.831 -10.263 1.00 0.00 C ATOM 380 C ARG A 26 9.834 -2.411 -8.810 1.00 0.00 C ATOM 381 O ARG A 26 8.757 -1.945 -8.442 1.00 0.00 O ATOM 382 CB ARG A 26 9.531 -4.258 -10.478 1.00 0.00 C ATOM 383 CG ARG A 26 10.014 -5.251 -9.432 1.00 0.00 C ATOM 384 CD ARG A 26 11.516 -5.458 -9.519 1.00 0.00 C ATOM 385 NE ARG A 26 11.934 -6.728 -8.932 1.00 0.00 N ATOM 386 CZ ARG A 26 11.933 -7.888 -9.587 1.00 0.00 C ATOM 387 NH1 ARG A 26 11.520 -7.947 -10.847 1.00 0.00 N ATOM 388 NH2 ARG A 26 12.344 -8.992 -8.979 1.00 0.00 N ATOM 0 H ARG A 26 11.846 -3.588 -11.034 1.00 0.00 H new ATOM 0 HA ARG A 26 9.486 -2.151 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.441 -4.244 -10.476 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.843 -4.603 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.751 -4.891 -8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.505 -6.205 -9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.826 -5.423 -10.564 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.024 -4.640 -9.009 1.00 0.00 H new ATOM 0 HE ARG A 26 12.246 -6.727 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.201 -7.101 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.522 -8.838 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.661 -8.953 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.343 -9.880 -9.480 1.00 0.00 H new ATOM 402 N ILE A 27 10.863 -2.588 -7.988 1.00 0.00 N ATOM 403 CA ILE A 27 10.782 -2.238 -6.577 1.00 0.00 C ATOM 404 C ILE A 27 10.698 -0.727 -6.381 1.00 0.00 C ATOM 405 O ILE A 27 10.116 -0.253 -5.407 1.00 0.00 O ATOM 406 CB ILE A 27 11.988 -2.784 -5.788 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.158 -4.282 -6.044 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.814 -2.515 -4.300 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.576 -4.772 -5.847 1.00 0.00 C ATOM 0 H ILE A 27 11.763 -2.972 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 27 9.871 -2.698 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 27 12.887 -2.271 -6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.496 -4.834 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.843 -4.506 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.674 -2.907 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.736 -1.441 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.907 -3.005 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.622 -5.843 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.241 -4.247 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.888 -4.580 -4.820 1.00 0.00 H new ATOM 421 N GLU A 28 11.292 0.026 -7.303 1.00 0.00 N ATOM 422 CA GLU A 28 11.289 1.483 -7.218 1.00 0.00 C ATOM 423 C GLU A 28 9.873 2.048 -7.324 1.00 0.00 C ATOM 424 O GLU A 28 9.423 2.779 -6.443 1.00 0.00 O ATOM 425 CB GLU A 28 12.170 2.082 -8.318 1.00 0.00 C ATOM 426 CG GLU A 28 13.618 2.276 -7.899 1.00 0.00 C ATOM 427 CD GLU A 28 14.312 3.366 -8.691 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.727 4.460 -8.834 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.440 3.126 -9.169 1.00 0.00 O ATOM 0 H GLU A 28 11.781 -0.348 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 28 11.692 1.757 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.137 1.432 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.756 3.044 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.656 2.523 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.158 1.338 -8.027 1.00 0.00 H new ATOM 436 N GLU A 29 9.178 1.709 -8.406 1.00 0.00 N ATOM 437 CA GLU A 29 7.815 2.191 -8.624 1.00 0.00 C ATOM 438 C GLU A 29 6.907 1.831 -7.450 1.00 0.00 C ATOM 439 O GLU A 29 5.914 2.510 -7.190 1.00 0.00 O ATOM 440 CB GLU A 29 7.245 1.606 -9.920 1.00 0.00 C ATOM 441 CG GLU A 29 5.783 1.955 -10.162 1.00 0.00 C ATOM 442 CD GLU A 29 5.548 2.586 -11.519 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.962 1.987 -12.534 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.950 3.682 -11.570 1.00 0.00 O ATOM 0 H GLU A 29 9.534 1.103 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 29 7.854 3.277 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.838 1.965 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.350 0.521 -9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.179 1.051 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.444 2.639 -9.384 1.00 0.00 H new ATOM 451 N LEU A 30 7.250 0.754 -6.753 1.00 0.00 N ATOM 452 CA LEU A 30 6.462 0.295 -5.616 1.00 0.00 C ATOM 453 C LEU A 30 6.785 1.082 -4.348 1.00 0.00 C ATOM 454 O LEU A 30 5.994 1.109 -3.409 1.00 0.00 O ATOM 455 CB LEU A 30 6.700 -1.197 -5.380 1.00 0.00 C ATOM 456 CG LEU A 30 6.349 -2.094 -6.567 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.874 -3.504 -6.345 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.847 -2.111 -6.795 1.00 0.00 C ATOM 0 H LEU A 30 8.070 0.182 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 30 5.411 0.463 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.749 -1.348 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.114 -1.513 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 30 6.827 -1.688 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.614 -4.128 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.958 -3.475 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.427 -3.921 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.615 -2.754 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.348 -2.492 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.499 -1.099 -7.001 1.00 0.00 H new ATOM 470 N LYS A 31 7.957 1.710 -4.319 1.00 0.00 N ATOM 471 CA LYS A 31 8.382 2.483 -3.156 1.00 0.00 C ATOM 472 C LYS A 31 7.636 3.811 -3.057 1.00 0.00 C ATOM 473 O LYS A 31 7.045 4.122 -2.026 1.00 0.00 O ATOM 474 CB LYS A 31 9.890 2.734 -3.216 1.00 0.00 C ATOM 475 CG LYS A 31 10.416 3.577 -2.065 1.00 0.00 C ATOM 476 CD LYS A 31 11.723 3.026 -1.518 1.00 0.00 C ATOM 477 CE LYS A 31 12.726 4.135 -1.238 1.00 0.00 C ATOM 478 NZ LYS A 31 13.260 4.064 0.149 1.00 0.00 N ATOM 0 H LYS A 31 8.629 1.699 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 31 8.144 1.901 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.409 1.775 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.130 3.230 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.566 4.602 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.673 3.610 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.528 2.471 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.149 2.322 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.550 4.067 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.250 5.103 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.940 4.837 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.477 4.155 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.737 3.151 0.291 1.00 0.00 H new ATOM 492 N LYS A 32 7.680 4.598 -4.127 1.00 0.00 N ATOM 493 CA LYS A 32 7.018 5.900 -4.152 1.00 0.00 C ATOM 494 C LYS A 32 5.536 5.789 -3.796 1.00 0.00 C ATOM 495 O LYS A 32 5.043 6.504 -2.924 1.00 0.00 O ATOM 496 CB LYS A 32 7.172 6.542 -5.533 1.00 0.00 C ATOM 497 CG LYS A 32 8.416 7.404 -5.669 1.00 0.00 C ATOM 498 CD LYS A 32 8.186 8.570 -6.617 1.00 0.00 C ATOM 499 CE LYS A 32 9.478 9.005 -7.288 1.00 0.00 C ATOM 500 NZ LYS A 32 9.842 8.115 -8.425 1.00 0.00 N ATOM 0 H LYS A 32 8.168 4.358 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 32 7.497 6.527 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.200 5.757 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.293 7.152 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.706 7.783 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.243 6.795 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.458 8.285 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.760 9.409 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.373 10.029 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.285 9.006 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.729 8.446 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.967 7.143 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.084 8.134 -9.137 1.00 0.00 H new ATOM 514 N LYS A 33 4.834 4.900 -4.486 1.00 0.00 N ATOM 515 CA LYS A 33 3.405 4.699 -4.258 1.00 0.00 C ATOM 516 C LYS A 33 3.125 4.108 -2.876 1.00 0.00 C ATOM 517 O LYS A 33 2.032 4.266 -2.339 1.00 0.00 O ATOM 518 CB LYS A 33 2.818 3.793 -5.342 1.00 0.00 C ATOM 519 CG LYS A 33 1.510 4.306 -5.921 1.00 0.00 C ATOM 520 CD LYS A 33 0.607 3.162 -6.356 1.00 0.00 C ATOM 521 CE LYS A 33 0.147 2.333 -5.169 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.339 3.187 -4.049 1.00 0.00 N ATOM 0 H LYS A 33 5.231 4.303 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 33 2.927 5.677 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.545 3.686 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.656 2.799 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.995 4.915 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.717 4.952 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.261 3.562 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.140 2.525 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.650 1.659 -5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.971 1.711 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.161 2.736 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.419 3.303 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.615 4.120 -4.418 1.00 0.00 H new ATOM 536 N CYS A 34 4.106 3.405 -2.318 1.00 0.00 N ATOM 537 CA CYS A 34 3.950 2.774 -1.008 1.00 0.00 C ATOM 538 C CYS A 34 3.668 3.796 0.092 1.00 0.00 C ATOM 539 O CYS A 34 2.665 3.701 0.801 1.00 0.00 O ATOM 540 CB CYS A 34 5.220 1.997 -0.653 1.00 0.00 C ATOM 541 SG CYS A 34 4.929 0.259 -0.193 1.00 0.00 S ATOM 0 H CYS A 34 5.018 3.257 -2.751 1.00 0.00 H new ATOM 0 HA CYS A 34 3.096 2.100 -1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.900 2.027 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.721 2.501 0.173 1.00 0.00 H new ATOM 546 N GLU A 35 4.576 4.755 0.248 1.00 0.00 N ATOM 547 CA GLU A 35 4.443 5.778 1.284 1.00 0.00 C ATOM 548 C GLU A 35 3.260 6.707 1.026 1.00 0.00 C ATOM 549 O GLU A 35 2.387 6.854 1.878 1.00 0.00 O ATOM 550 CB GLU A 35 5.733 6.590 1.405 1.00 0.00 C ATOM 551 CG GLU A 35 6.287 7.048 0.071 1.00 0.00 C ATOM 552 CD GLU A 35 6.680 8.513 0.071 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.432 8.924 0.981 1.00 0.00 O ATOM 554 OE2 GLU A 35 6.239 9.247 -0.838 1.00 0.00 O ATOM 0 H GLU A 35 5.412 4.846 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 35 4.255 5.260 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.546 7.463 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.485 5.988 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.157 6.443 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.541 6.876 -0.705 1.00 0.00 H new ATOM 561 N GLU A 36 3.235 7.338 -0.144 1.00 0.00 N ATOM 562 CA GLU A 36 2.156 8.256 -0.497 1.00 0.00 C ATOM 563 C GLU A 36 0.789 7.644 -0.207 1.00 0.00 C ATOM 564 O GLU A 36 -0.181 8.354 0.060 1.00 0.00 O ATOM 565 CB GLU A 36 2.251 8.640 -1.975 1.00 0.00 C ATOM 566 CG GLU A 36 1.334 9.788 -2.365 1.00 0.00 C ATOM 567 CD GLU A 36 1.076 9.847 -3.858 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.054 9.968 -4.625 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.104 9.773 -4.260 1.00 0.00 O ATOM 0 H GLU A 36 3.949 7.231 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 36 2.265 9.150 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.281 8.914 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.009 7.769 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.385 9.684 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.777 10.729 -2.039 1.00 0.00 H new ATOM 576 N LEU A 37 0.723 6.321 -0.273 1.00 0.00 N ATOM 577 CA LEU A 37 -0.516 5.591 -0.033 1.00 0.00 C ATOM 578 C LEU A 37 -0.938 5.672 1.434 1.00 0.00 C ATOM 579 O LEU A 37 -2.124 5.784 1.740 1.00 0.00 O ATOM 580 CB LEU A 37 -0.336 4.130 -0.455 1.00 0.00 C ATOM 581 CG LEU A 37 -1.458 3.172 -0.043 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.826 3.799 -0.281 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.333 1.856 -0.799 1.00 0.00 C ATOM 0 H LEU A 37 1.522 5.726 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.307 6.049 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.235 4.095 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.601 3.764 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.361 2.972 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.605 3.098 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.914 4.713 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.939 4.035 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.137 1.185 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.401 2.044 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.371 1.396 -0.572 1.00 0.00 H new ATOM 595 N LYS A 38 0.037 5.607 2.334 1.00 0.00 N ATOM 596 CA LYS A 38 -0.242 5.664 3.768 1.00 0.00 C ATOM 597 C LYS A 38 -0.792 7.030 4.175 1.00 0.00 C ATOM 598 O LYS A 38 -1.889 7.127 4.727 1.00 0.00 O ATOM 599 CB LYS A 38 1.028 5.353 4.565 1.00 0.00 C ATOM 600 CG LYS A 38 1.012 3.981 5.221 1.00 0.00 C ATOM 601 CD LYS A 38 2.386 3.332 5.189 1.00 0.00 C ATOM 602 CE LYS A 38 3.328 3.969 6.198 1.00 0.00 C ATOM 603 NZ LYS A 38 3.017 3.548 7.592 1.00 0.00 N ATOM 0 H LYS A 38 1.025 5.515 2.099 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.001 4.914 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.890 5.419 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.160 6.113 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.677 4.074 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.294 3.340 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.291 2.267 5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.809 3.422 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.356 3.697 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.260 5.054 6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.760 3.893 8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.100 3.946 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.974 2.510 7.640 1.00 0.00 H new ATOM 617 N LYS A 39 -0.022 8.080 3.908 1.00 0.00 N ATOM 618 CA LYS A 39 -0.423 9.441 4.251 1.00 0.00 C ATOM 619 C LYS A 39 -1.815 9.765 3.714 1.00 0.00 C ATOM 620 O LYS A 39 -2.529 10.592 4.278 1.00 0.00 O ATOM 621 CB LYS A 39 0.590 10.445 3.701 1.00 0.00 C ATOM 622 CG LYS A 39 0.714 10.412 2.186 1.00 0.00 C ATOM 623 CD LYS A 39 1.956 11.149 1.713 1.00 0.00 C ATOM 624 CE LYS A 39 1.902 12.623 2.081 1.00 0.00 C ATOM 625 NZ LYS A 39 2.699 13.460 1.143 1.00 0.00 N ATOM 0 H LYS A 39 0.888 8.014 3.453 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.452 9.514 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.301 11.449 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.566 10.243 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.752 9.377 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.171 10.863 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.842 10.694 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.052 11.046 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.865 12.960 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.277 12.758 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.636 14.458 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.693 13.156 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.326 13.352 0.178 1.00 0.00 H new ATOM 639 N LYS A 40 -2.191 9.111 2.620 1.00 0.00 N ATOM 640 CA LYS A 40 -3.496 9.336 2.009 1.00 0.00 C ATOM 641 C LYS A 40 -4.618 8.793 2.890 1.00 0.00 C ATOM 642 O LYS A 40 -5.751 9.267 2.829 1.00 0.00 O ATOM 643 CB LYS A 40 -3.554 8.684 0.627 1.00 0.00 C ATOM 644 CG LYS A 40 -4.798 9.045 -0.166 1.00 0.00 C ATOM 645 CD LYS A 40 -4.665 8.640 -1.625 1.00 0.00 C ATOM 646 CE LYS A 40 -5.606 9.438 -2.513 1.00 0.00 C ATOM 647 NZ LYS A 40 -7.030 9.068 -2.287 1.00 0.00 N ATOM 0 H LYS A 40 -1.612 8.422 2.139 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.636 10.412 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.673 8.980 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.510 7.601 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.666 8.552 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.974 10.119 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.637 8.792 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.879 7.576 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.472 10.502 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.349 9.269 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.648 9.773 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.215 8.131 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.224 9.041 -1.266 1.00 0.00 H new ATOM 661 N ILE A 41 -4.297 7.798 3.711 1.00 0.00 N ATOM 662 CA ILE A 41 -5.283 7.200 4.606 1.00 0.00 C ATOM 663 C ILE A 41 -5.521 8.091 5.819 1.00 0.00 C ATOM 664 O ILE A 41 -6.637 8.179 6.330 1.00 0.00 O ATOM 665 CB ILE A 41 -4.840 5.805 5.087 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.245 5.001 3.927 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.014 5.064 5.709 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.898 3.573 4.291 1.00 0.00 C ATOM 0 H ILE A 41 -3.365 7.389 3.776 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.208 7.098 4.038 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.068 5.928 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.955 4.993 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.346 5.504 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.687 4.080 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.392 5.630 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.806 4.950 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.482 3.066 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.164 3.571 5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.798 3.052 4.618 1.00 0.00 H new ATOM 680 N GLU A 42 -4.462 8.756 6.273 1.00 0.00 N ATOM 681 CA GLU A 42 -4.555 9.647 7.423 1.00 0.00 C ATOM 682 C GLU A 42 -5.399 10.870 7.088 1.00 0.00 C ATOM 683 O GLU A 42 -6.052 11.445 7.959 1.00 0.00 O ATOM 684 CB GLU A 42 -3.159 10.081 7.874 1.00 0.00 C ATOM 685 CG GLU A 42 -2.505 9.111 8.843 1.00 0.00 C ATOM 686 CD GLU A 42 -1.574 9.804 9.819 1.00 0.00 C ATOM 687 OE1 GLU A 42 -0.409 10.063 9.447 1.00 0.00 O ATOM 688 OE2 GLU A 42 -2.008 10.087 10.955 1.00 0.00 O ATOM 0 H GLU A 42 -3.531 8.694 5.862 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.036 9.105 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.521 10.192 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.227 11.062 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.278 8.580 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.946 8.363 8.281 1.00 0.00 H new ATOM 695 N GLU A 43 -5.385 11.262 5.817 1.00 0.00 N ATOM 696 CA GLU A 43 -6.153 12.413 5.364 1.00 0.00 C ATOM 697 C GLU A 43 -7.623 12.043 5.193 1.00 0.00 C ATOM 698 O GLU A 43 -8.513 12.874 5.374 1.00 0.00 O ATOM 699 CB GLU A 43 -5.578 12.954 4.046 1.00 0.00 C ATOM 700 CG GLU A 43 -5.932 12.128 2.817 1.00 0.00 C ATOM 701 CD GLU A 43 -6.691 12.930 1.776 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.743 13.507 2.124 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.235 12.980 0.615 1.00 0.00 O ATOM 0 H GLU A 43 -4.849 10.798 5.084 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.082 13.195 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.936 13.973 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.493 13.007 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.018 11.735 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.534 11.271 3.120 1.00 0.00 H new ATOM 710 N LEU A 44 -7.862 10.786 4.843 1.00 0.00 N ATOM 711 CA LEU A 44 -9.214 10.282 4.642 1.00 0.00 C ATOM 712 C LEU A 44 -10.044 10.431 5.913 1.00 0.00 C ATOM 713 O LEU A 44 -9.509 10.711 6.986 1.00 0.00 O ATOM 714 CB LEU A 44 -9.166 8.811 4.214 1.00 0.00 C ATOM 715 CG LEU A 44 -9.231 8.573 2.704 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.071 7.094 2.392 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.540 9.102 2.136 1.00 0.00 C ATOM 0 H LEU A 44 -7.130 10.092 4.691 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.686 10.869 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.247 8.367 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.996 8.284 4.685 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.410 9.114 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.120 6.942 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.108 6.746 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.871 6.532 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.568 8.924 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.376 8.589 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.614 10.172 2.329 1.00 0.00 H new ATOM 729 N GLY A 45 -11.353 10.241 5.785 1.00 0.00 N ATOM 730 CA GLY A 45 -12.235 10.359 6.932 1.00 0.00 C ATOM 731 C GLY A 45 -13.402 9.393 6.865 1.00 0.00 C ATOM 732 O GLY A 45 -13.712 8.714 7.844 1.00 0.00 O ATOM 0 H GLY A 45 -11.819 10.008 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.667 10.176 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.614 11.379 6.992 1.00 0.00 H new ATOM 736 N GLY A 46 -14.050 9.332 5.706 1.00 0.00 N ATOM 737 CA GLY A 46 -15.181 8.439 5.536 1.00 0.00 C ATOM 738 C GLY A 46 -15.977 8.745 4.282 1.00 0.00 C ATOM 739 O GLY A 46 -15.606 9.620 3.501 1.00 0.00 O ATOM 0 H GLY A 46 -13.812 9.885 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.825 7.410 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.834 8.515 6.405 1.00 0.00 H new ATOM 743 N GLY A 47 -17.075 8.022 4.090 1.00 0.00 N ATOM 744 CA GLY A 47 -17.909 8.236 2.921 1.00 0.00 C ATOM 745 C GLY A 47 -17.796 7.109 1.914 1.00 0.00 C ATOM 746 O GLY A 47 -18.100 5.957 2.223 1.00 0.00 O ATOM 0 H GLY A 47 -17.403 7.292 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.948 8.337 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.627 9.175 2.444 1.00 0.00 H new ATOM 750 N GLY A 48 -17.358 7.441 0.703 1.00 0.00 N ATOM 751 CA GLY A 48 -17.214 6.437 -0.335 1.00 0.00 C ATOM 752 C GLY A 48 -15.865 6.503 -1.028 1.00 0.00 C ATOM 753 O GLY A 48 -15.701 5.974 -2.128 1.00 0.00 O ATOM 0 H GLY A 48 -17.100 8.387 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.346 5.447 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -18.005 6.568 -1.074 1.00 0.00 H new ATOM 757 N GLU A 49 -14.898 7.153 -0.386 1.00 0.00 N ATOM 758 CA GLU A 49 -13.561 7.282 -0.951 1.00 0.00 C ATOM 759 C GLU A 49 -12.637 6.189 -0.420 1.00 0.00 C ATOM 760 O GLU A 49 -11.662 5.817 -1.072 1.00 0.00 O ATOM 761 CB GLU A 49 -12.978 8.659 -0.629 1.00 0.00 C ATOM 762 CG GLU A 49 -11.618 8.907 -1.261 1.00 0.00 C ATOM 763 CD GLU A 49 -11.480 10.312 -1.814 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.505 10.890 -2.230 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.345 10.833 -1.831 1.00 0.00 O ATOM 0 H GLU A 49 -15.016 7.597 0.524 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.640 7.173 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.673 9.427 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.891 8.764 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.839 8.735 -0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.458 8.187 -2.064 1.00 0.00 H new ATOM 772 N VAL A 50 -12.949 5.680 0.768 1.00 0.00 N ATOM 773 CA VAL A 50 -12.148 4.631 1.391 1.00 0.00 C ATOM 774 C VAL A 50 -11.957 3.446 0.448 1.00 0.00 C ATOM 775 O VAL A 50 -10.943 2.752 0.505 1.00 0.00 O ATOM 776 CB VAL A 50 -12.796 4.138 2.700 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.145 3.488 2.424 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.870 3.175 3.427 1.00 0.00 C ATOM 0 H VAL A 50 -13.753 5.978 1.320 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.174 5.066 1.617 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.963 5.001 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.584 3.148 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.809 4.214 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.009 2.637 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.346 2.839 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.666 2.315 2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.934 3.680 3.665 1.00 0.00 H new ATOM 788 N LYS A 51 -12.939 3.222 -0.418 1.00 0.00 N ATOM 789 CA LYS A 51 -12.880 2.121 -1.373 1.00 0.00 C ATOM 790 C LYS A 51 -11.783 2.353 -2.409 1.00 0.00 C ATOM 791 O LYS A 51 -11.091 1.419 -2.813 1.00 0.00 O ATOM 792 CB LYS A 51 -14.231 1.953 -2.072 1.00 0.00 C ATOM 793 CG LYS A 51 -15.128 0.917 -1.415 1.00 0.00 C ATOM 794 CD LYS A 51 -15.894 0.103 -2.448 1.00 0.00 C ATOM 795 CE LYS A 51 -17.392 0.147 -2.194 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.860 -1.037 -1.422 1.00 0.00 N ATOM 0 H LYS A 51 -13.785 3.788 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.646 1.209 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.747 2.913 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.061 1.669 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.524 0.250 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.832 1.415 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.682 0.487 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.550 -0.931 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.641 1.057 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.920 0.191 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.887 -0.969 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.646 -1.905 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.375 -1.066 -0.502 1.00 0.00 H new ATOM 810 N LYS A 52 -11.631 3.604 -2.834 1.00 0.00 N ATOM 811 CA LYS A 52 -10.619 3.956 -3.824 1.00 0.00 C ATOM 812 C LYS A 52 -9.219 3.620 -3.318 1.00 0.00 C ATOM 813 O LYS A 52 -8.484 2.867 -3.956 1.00 0.00 O ATOM 814 CB LYS A 52 -10.713 5.448 -4.163 1.00 0.00 C ATOM 815 CG LYS A 52 -9.568 5.955 -5.023 1.00 0.00 C ATOM 816 CD LYS A 52 -9.572 5.307 -6.398 1.00 0.00 C ATOM 817 CE LYS A 52 -8.803 6.140 -7.411 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.715 6.913 -8.300 1.00 0.00 N ATOM 0 H LYS A 52 -12.195 4.389 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.804 3.371 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.654 5.635 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.740 6.021 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.644 7.037 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.620 5.749 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.130 4.313 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.600 5.178 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.138 6.827 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.174 5.487 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.153 7.468 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.332 6.257 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.298 7.555 -7.726 1.00 0.00 H new ATOM 832 N VAL A 53 -8.856 4.183 -2.170 1.00 0.00 N ATOM 833 CA VAL A 53 -7.543 3.941 -1.580 1.00 0.00 C ATOM 834 C VAL A 53 -7.302 2.453 -1.357 1.00 0.00 C ATOM 835 O VAL A 53 -6.158 1.998 -1.332 1.00 0.00 O ATOM 836 CB VAL A 53 -7.384 4.682 -0.239 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.951 4.585 0.260 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.810 6.137 -0.379 1.00 0.00 C ATOM 0 H VAL A 53 -9.452 4.810 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.806 4.322 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.033 4.206 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.859 5.115 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.685 3.537 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.280 5.033 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.691 6.645 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.190 6.627 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.855 6.182 -0.686 1.00 0.00 H new ATOM 848 N GLU A 54 -8.384 1.696 -1.199 1.00 0.00 N ATOM 849 CA GLU A 54 -8.283 0.259 -0.982 1.00 0.00 C ATOM 850 C GLU A 54 -7.710 -0.431 -2.216 1.00 0.00 C ATOM 851 O GLU A 54 -6.915 -1.365 -2.106 1.00 0.00 O ATOM 852 CB GLU A 54 -9.657 -0.324 -0.643 1.00 0.00 C ATOM 853 CG GLU A 54 -9.803 -0.722 0.816 1.00 0.00 C ATOM 854 CD GLU A 54 -10.520 -2.047 0.991 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.361 -2.384 0.134 1.00 0.00 O ATOM 856 OE2 GLU A 54 -10.238 -2.747 1.987 1.00 0.00 O ATOM 0 H GLU A 54 -9.339 2.054 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.609 0.084 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.425 0.409 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.837 -1.198 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.815 -0.785 1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.351 0.056 1.348 1.00 0.00 H new ATOM 863 N GLU A 55 -8.116 0.042 -3.388 1.00 0.00 N ATOM 864 CA GLU A 55 -7.643 -0.519 -4.648 1.00 0.00 C ATOM 865 C GLU A 55 -6.183 -0.152 -4.890 1.00 0.00 C ATOM 866 O GLU A 55 -5.451 -0.879 -5.561 1.00 0.00 O ATOM 867 CB GLU A 55 -8.508 -0.019 -5.808 1.00 0.00 C ATOM 868 CG GLU A 55 -8.098 -0.578 -7.159 1.00 0.00 C ATOM 869 CD GLU A 55 -8.238 0.436 -8.277 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.359 0.580 -8.810 1.00 0.00 O ATOM 871 OE2 GLU A 55 -7.228 1.086 -8.620 1.00 0.00 O ATOM 0 H GLU A 55 -8.773 0.815 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.721 -1.605 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.548 -0.284 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.458 1.069 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.063 -0.917 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.709 -1.451 -7.387 1.00 0.00 H new ATOM 878 N GLU A 56 -5.766 0.983 -4.337 1.00 0.00 N ATOM 879 CA GLU A 56 -4.395 1.455 -4.488 1.00 0.00 C ATOM 880 C GLU A 56 -3.424 0.582 -3.697 1.00 0.00 C ATOM 881 O GLU A 56 -2.258 0.445 -4.064 1.00 0.00 O ATOM 882 CB GLU A 56 -4.287 2.909 -4.024 1.00 0.00 C ATOM 883 CG GLU A 56 -4.698 3.919 -5.084 1.00 0.00 C ATOM 884 CD GLU A 56 -3.859 5.179 -5.043 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.383 5.543 -3.947 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.676 5.805 -6.109 1.00 0.00 O ATOM 0 H GLU A 56 -6.361 1.595 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.128 1.393 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.911 3.047 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.259 3.110 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.612 3.461 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.747 4.180 -4.944 1.00 0.00 H new ATOM 893 N VAL A 57 -3.915 -0.004 -2.609 1.00 0.00 N ATOM 894 CA VAL A 57 -3.093 -0.864 -1.766 1.00 0.00 C ATOM 895 C VAL A 57 -3.028 -2.280 -2.324 1.00 0.00 C ATOM 896 O VAL A 57 -2.076 -3.015 -2.067 1.00 0.00 O ATOM 897 CB VAL A 57 -3.636 -0.922 -0.325 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.672 -1.674 0.578 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.897 0.481 0.207 1.00 0.00 C ATOM 0 H VAL A 57 -4.878 0.101 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.092 -0.432 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.583 -1.461 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.072 -1.705 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.544 -2.691 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.708 -1.166 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.280 0.418 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.968 1.050 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.631 0.980 -0.426 1.00 0.00 H new ATOM 909 N LYS A 58 -4.054 -2.657 -3.077 1.00 0.00 N ATOM 910 CA LYS A 58 -4.132 -3.986 -3.669 1.00 0.00 C ATOM 911 C LYS A 58 -3.196 -4.125 -4.869 1.00 0.00 C ATOM 912 O LYS A 58 -2.743 -5.222 -5.186 1.00 0.00 O ATOM 913 CB LYS A 58 -5.569 -4.281 -4.096 1.00 0.00 C ATOM 914 CG LYS A 58 -6.328 -5.161 -3.114 1.00 0.00 C ATOM 915 CD LYS A 58 -6.517 -6.570 -3.656 1.00 0.00 C ATOM 916 CE LYS A 58 -7.764 -7.227 -3.085 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.812 -7.425 -4.125 1.00 0.00 N ATOM 0 H LYS A 58 -4.849 -2.056 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.817 -4.706 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.104 -3.339 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.557 -4.767 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.787 -5.204 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.301 -4.718 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.588 -6.536 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.643 -7.174 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.500 -8.190 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.163 -6.610 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.646 -7.875 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.083 -6.504 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.440 -8.034 -4.881 1.00 0.00 H new ATOM 931 N LYS A 59 -2.933 -3.012 -5.548 1.00 0.00 N ATOM 932 CA LYS A 59 -2.070 -3.020 -6.727 1.00 0.00 C ATOM 933 C LYS A 59 -0.599 -3.185 -6.354 1.00 0.00 C ATOM 934 O LYS A 59 0.141 -3.895 -7.033 1.00 0.00 O ATOM 935 CB LYS A 59 -2.260 -1.727 -7.529 1.00 0.00 C ATOM 936 CG LYS A 59 -1.345 -1.616 -8.740 1.00 0.00 C ATOM 937 CD LYS A 59 -0.218 -0.621 -8.505 1.00 0.00 C ATOM 938 CE LYS A 59 -0.728 0.812 -8.502 1.00 0.00 C ATOM 939 NZ LYS A 59 0.130 1.707 -9.327 1.00 0.00 N ATOM 0 H LYS A 59 -3.304 -2.094 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.358 -3.876 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.296 -1.665 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.084 -0.874 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.924 -2.595 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.927 -1.308 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.267 -0.837 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.538 -0.737 -9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.749 0.835 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.761 1.184 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.168 2.694 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.123 1.602 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.035 1.451 -10.330 1.00 0.00 H new ATOM 953 N LEU A 60 -0.174 -2.518 -5.287 1.00 0.00 N ATOM 954 CA LEU A 60 1.218 -2.591 -4.851 1.00 0.00 C ATOM 955 C LEU A 60 1.511 -3.884 -4.100 1.00 0.00 C ATOM 956 O LEU A 60 2.649 -4.341 -4.064 1.00 0.00 O ATOM 957 CB LEU A 60 1.569 -1.396 -3.971 1.00 0.00 C ATOM 958 CG LEU A 60 3.028 -0.954 -4.065 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.118 0.505 -4.472 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.751 -1.190 -2.749 1.00 0.00 C ATOM 0 H LEU A 60 -0.769 -1.923 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 60 1.836 -2.574 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.929 -0.557 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.343 -1.644 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 60 3.517 -1.555 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.165 0.802 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.644 0.641 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.609 1.122 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.788 -0.868 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.263 -0.621 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.722 -2.251 -2.503 1.00 0.00 H new ATOM 972 N GLU A 61 0.487 -4.465 -3.495 1.00 0.00 N ATOM 973 CA GLU A 61 0.649 -5.702 -2.744 1.00 0.00 C ATOM 974 C GLU A 61 0.887 -6.880 -3.685 1.00 0.00 C ATOM 975 O GLU A 61 1.703 -7.758 -3.406 1.00 0.00 O ATOM 976 CB GLU A 61 -0.588 -5.960 -1.885 1.00 0.00 C ATOM 977 CG GLU A 61 -0.264 -6.453 -0.485 1.00 0.00 C ATOM 978 CD GLU A 61 -1.413 -7.215 0.146 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.844 -8.231 -0.440 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.881 -6.796 1.225 1.00 0.00 O ATOM 0 H GLU A 61 -0.466 -4.101 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 61 1.519 -5.598 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.168 -5.040 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.219 -6.696 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.615 -7.096 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.008 -5.602 0.146 1.00 0.00 H new ATOM 987 N GLU A 62 0.165 -6.887 -4.799 1.00 0.00 N ATOM 988 CA GLU A 62 0.285 -7.949 -5.791 1.00 0.00 C ATOM 989 C GLU A 62 1.553 -7.787 -6.625 1.00 0.00 C ATOM 990 O GLU A 62 2.094 -8.762 -7.148 1.00 0.00 O ATOM 991 CB GLU A 62 -0.945 -7.948 -6.700 1.00 0.00 C ATOM 992 CG GLU A 62 -1.496 -9.335 -6.979 1.00 0.00 C ATOM 993 CD GLU A 62 -2.404 -9.368 -8.193 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.173 -8.403 -8.386 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.344 -10.359 -8.952 1.00 0.00 O ATOM 0 H GLU A 62 -0.514 -6.165 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 62 0.349 -8.902 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.726 -7.342 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.687 -7.472 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.668 -10.027 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.049 -9.685 -6.107 1.00 0.00 H new ATOM 1002 N GLU A 63 2.019 -6.549 -6.751 1.00 0.00 N ATOM 1003 CA GLU A 63 3.218 -6.252 -7.526 1.00 0.00 C ATOM 1004 C GLU A 63 4.450 -6.912 -6.910 1.00 0.00 C ATOM 1005 O GLU A 63 5.127 -7.713 -7.554 1.00 0.00 O ATOM 1006 CB GLU A 63 3.422 -4.737 -7.613 1.00 0.00 C ATOM 1007 CG GLU A 63 3.367 -4.193 -9.031 1.00 0.00 C ATOM 1008 CD GLU A 63 4.734 -4.122 -9.682 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.738 -4.021 -8.946 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.801 -4.166 -10.928 1.00 0.00 O ATOM 0 H GLU A 63 1.582 -5.732 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 63 3.084 -6.656 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.658 -4.242 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.387 -4.483 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.714 -4.825 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.923 -3.198 -9.017 1.00 0.00 H new ATOM 1017 N ILE A 64 4.732 -6.564 -5.659 1.00 0.00 N ATOM 1018 CA ILE A 64 5.880 -7.113 -4.945 1.00 0.00 C ATOM 1019 C ILE A 64 5.890 -8.640 -5.004 1.00 0.00 C ATOM 1020 O ILE A 64 6.945 -9.267 -4.914 1.00 0.00 O ATOM 1021 CB ILE A 64 5.887 -6.668 -3.467 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.719 -5.149 -3.360 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.174 -7.111 -2.783 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.700 -4.643 -1.933 1.00 0.00 C ATOM 0 H ILE A 64 4.179 -5.901 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 64 6.772 -6.728 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 64 5.046 -7.143 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.532 -4.663 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.791 -4.858 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.162 -6.789 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.254 -8.197 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.029 -6.664 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.578 -3.560 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.870 -5.102 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.638 -4.903 -1.442 1.00 0.00 H new ATOM 1036 N LYS A 65 4.709 -9.230 -5.156 1.00 0.00 N ATOM 1037 CA LYS A 65 4.584 -10.681 -5.228 1.00 0.00 C ATOM 1038 C LYS A 65 5.395 -11.237 -6.396 1.00 0.00 C ATOM 1039 O LYS A 65 5.909 -12.353 -6.333 1.00 0.00 O ATOM 1040 CB LYS A 65 3.113 -11.080 -5.370 1.00 0.00 C ATOM 1041 CG LYS A 65 2.580 -11.870 -4.186 1.00 0.00 C ATOM 1042 CD LYS A 65 1.768 -10.992 -3.246 1.00 0.00 C ATOM 1043 CE LYS A 65 2.400 -10.915 -1.865 1.00 0.00 C ATOM 1044 NZ LYS A 65 3.525 -9.939 -1.822 1.00 0.00 N ATOM 0 H LYS A 65 3.825 -8.726 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 65 4.977 -11.104 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.512 -10.180 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.992 -11.673 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.959 -12.691 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.412 -12.315 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.685 -9.989 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.756 -11.387 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.643 -10.629 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.764 -11.901 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.773 -9.738 -0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.351 -10.339 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.238 -9.057 -2.293 1.00 0.00 H new ATOM 1058 N LYS A 66 5.506 -10.448 -7.460 1.00 0.00 N ATOM 1059 CA LYS A 66 6.255 -10.857 -8.642 1.00 0.00 C ATOM 1060 C LYS A 66 7.753 -10.874 -8.354 1.00 0.00 C ATOM 1061 O LYS A 66 8.415 -11.899 -8.516 1.00 0.00 O ATOM 1062 CB LYS A 66 5.958 -9.916 -9.811 1.00 0.00 C ATOM 1063 CG LYS A 66 4.842 -10.408 -10.721 1.00 0.00 C ATOM 1064 CD LYS A 66 5.115 -10.067 -12.178 1.00 0.00 C ATOM 1065 CE LYS A 66 4.077 -9.105 -12.733 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.728 -9.731 -12.814 1.00 0.00 N ATOM 0 H LYS A 66 5.086 -9.521 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 66 5.942 -11.866 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.689 -8.936 -9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.865 -9.785 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.734 -11.487 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.897 -9.961 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.107 -9.624 -12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.118 -10.981 -12.772 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.029 -8.218 -12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.383 -8.773 -13.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.123 -9.170 -13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.816 -10.698 -13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.302 -9.762 -11.866 1.00 0.00 H new ATOM 1080 N LEU A 67 8.280 -9.731 -7.930 1.00 0.00 N ATOM 1081 CA LEU A 67 9.693 -9.607 -7.620 1.00 0.00 C ATOM 1082 C LEU A 67 10.076 -10.502 -6.445 1.00 0.00 C ATOM 1083 O LEU A 67 11.234 -10.969 -6.411 1.00 0.00 O ATOM 1084 CB LEU A 67 10.025 -8.150 -7.301 1.00 0.00 C ATOM 1085 CG LEU A 67 9.199 -7.529 -6.175 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.844 -7.805 -4.825 1.00 0.00 C ATOM 1087 CD2 LEU A 67 9.039 -6.032 -6.395 1.00 0.00 C ATOM 1088 OXT LEU A 67 9.215 -10.726 -5.569 1.00 0.00 O ATOM 0 H LEU A 67 7.743 -8.874 -7.794 1.00 0.00 H new ATOM 0 HA LEU A 67 10.267 -9.927 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.080 -8.084 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.885 -7.556 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 67 8.209 -7.985 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.242 -7.355 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.907 -8.881 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.846 -7.376 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.448 -5.606 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.021 -5.560 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.533 -5.856 -7.344 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 8.044 2.684 3.004 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.826 2.087 2.754 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.759 0.883 2.065 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.930 0.283 1.628 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.151 0.879 1.875 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.209 2.079 2.563 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.658 2.675 3.184 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.150 0.256 1.825 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.892 2.200 2.800 1.00 0.00 H new HETATM 0 H6 HTS A 101 8.089 3.628 3.547 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.173 2.548 2.758 1.00 0.00 H new HETATM 0 H4 HTS A 101 10.069 0.405 1.528 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.887 -0.663 1.088 1.00 0.00 H new