USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 455 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 8 CYS SG : rot -9:sc= -2.5! USER MOD Set 1.2: A 9 ASN : amide:sc= 0.412 X(o=-2.1,f=-2.5) USER MOD Single : A 18 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.3!) USER MOD Single : A 20 SER OG : rot 12:sc= -0.383 USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= -0.284 (180deg=-1.66) USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= 0.241 (180deg=-0.203) USER MOD Single : A 38 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 39 MET CE :methyl -117:sc= -0.357 (180deg=-2.22!) USER MOD Single : A 46 THR OG1 : rot -79:sc= 0.63 USER MOD Single : A 48 SER OG : rot -157:sc= 0.731 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -28:sc= 0.752 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0.363 (180deg=0.362) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.561 -13.212 -1.634 1.00 0.00 N ATOM 51 CA GLU A 4 -7.791 -12.190 -0.624 1.00 0.00 C ATOM 52 C GLU A 4 -6.488 -11.632 -0.090 1.00 0.00 C ATOM 53 O GLU A 4 -5.829 -12.239 0.756 1.00 0.00 O ATOM 54 CB GLU A 4 -8.623 -12.750 0.520 1.00 0.00 C ATOM 55 CG GLU A 4 -10.066 -12.988 0.140 1.00 0.00 C ATOM 56 CD GLU A 4 -10.809 -13.779 1.190 1.00 0.00 C ATOM 57 OE1 GLU A 4 -11.264 -13.175 2.185 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.921 -15.014 1.039 1.00 0.00 O ATOM 0 HA GLU A 4 -8.338 -11.376 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.182 -13.688 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.584 -12.059 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.563 -12.030 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.107 -13.521 -0.810 1.00 0.00 H new ATOM 65 N VAL A 5 -6.126 -10.476 -0.603 1.00 0.00 N ATOM 66 CA VAL A 5 -4.931 -9.785 -0.164 1.00 0.00 C ATOM 67 C VAL A 5 -5.252 -8.935 1.054 1.00 0.00 C ATOM 68 O VAL A 5 -6.136 -8.078 1.008 1.00 0.00 O ATOM 69 CB VAL A 5 -4.353 -8.882 -1.272 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.992 -8.350 -0.863 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.262 -9.628 -2.595 1.00 0.00 C ATOM 0 H VAL A 5 -6.648 -9.990 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.184 -10.539 0.085 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.030 -8.039 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.597 -7.714 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.089 -7.769 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.311 -9.184 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.851 -8.967 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.613 -10.496 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.257 -9.956 -2.897 1.00 0.00 H new ATOM 81 N ARG A 6 -4.563 -9.198 2.149 1.00 0.00 N ATOM 82 CA ARG A 6 -4.773 -8.460 3.379 1.00 0.00 C ATOM 83 C ARG A 6 -3.457 -7.871 3.859 1.00 0.00 C ATOM 84 O ARG A 6 -2.390 -8.403 3.554 1.00 0.00 O ATOM 85 CB ARG A 6 -5.376 -9.376 4.442 1.00 0.00 C ATOM 86 CG ARG A 6 -6.668 -10.019 4.012 1.00 0.00 C ATOM 87 CD ARG A 6 -7.083 -11.118 4.963 1.00 0.00 C ATOM 88 NE ARG A 6 -8.261 -11.845 4.487 1.00 0.00 N ATOM 89 CZ ARG A 6 -8.474 -13.142 4.711 1.00 0.00 C ATOM 90 NH1 ARG A 6 -7.596 -13.853 5.406 1.00 0.00 N ATOM 91 NH2 ARG A 6 -9.557 -13.737 4.228 1.00 0.00 N ATOM 0 H ARG A 6 -3.848 -9.923 2.211 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.471 -7.643 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.656 -10.155 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.550 -8.800 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.453 -9.264 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.555 -10.428 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.256 -11.816 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.294 -10.688 5.942 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.960 -11.329 3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.754 -13.408 5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.763 -14.845 5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.232 -13.202 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.714 -14.730 4.403 1.00 0.00 H new ATOM 105 N ASP A 7 -3.538 -6.773 4.597 1.00 0.00 N ATOM 106 CA ASP A 7 -2.346 -6.079 5.083 1.00 0.00 C ATOM 107 C ASP A 7 -1.644 -6.889 6.172 1.00 0.00 C ATOM 108 O ASP A 7 -2.033 -8.022 6.473 1.00 0.00 O ATOM 109 CB ASP A 7 -2.719 -4.690 5.623 1.00 0.00 C ATOM 110 CG ASP A 7 -3.114 -4.704 7.088 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.193 -5.229 7.417 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.331 -4.195 7.921 1.00 0.00 O ATOM 0 H ASP A 7 -4.418 -6.340 4.875 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.660 -5.964 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.873 -4.016 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.544 -4.288 5.035 1.00 0.00 H new ATOM 117 N CYS A 8 -0.616 -6.293 6.767 1.00 0.00 N ATOM 118 CA CYS A 8 0.152 -6.933 7.828 1.00 0.00 C ATOM 119 C CYS A 8 -0.745 -7.367 8.990 1.00 0.00 C ATOM 120 O CYS A 8 -0.453 -8.354 9.670 1.00 0.00 O ATOM 121 CB CYS A 8 1.231 -5.975 8.326 1.00 0.00 C ATOM 122 SG CYS A 8 0.599 -4.351 8.810 1.00 0.00 S ATOM 0 H CYS A 8 -0.293 -5.356 6.528 1.00 0.00 H new ATOM 0 HA CYS A 8 0.617 -7.830 7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.738 -6.426 9.179 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.978 -5.845 7.543 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.645 -4.244 8.448 1.00 0.00 H new ATOM 128 N ASN A 9 -1.827 -6.630 9.215 1.00 0.00 N ATOM 129 CA ASN A 9 -2.775 -6.953 10.260 1.00 0.00 C ATOM 130 C ASN A 9 -3.771 -7.991 9.768 1.00 0.00 C ATOM 131 O ASN A 9 -3.908 -9.066 10.354 1.00 0.00 O ATOM 132 CB ASN A 9 -3.516 -5.692 10.699 1.00 0.00 C ATOM 133 CG ASN A 9 -2.617 -4.678 11.380 1.00 0.00 C ATOM 134 OD1 ASN A 9 -2.437 -4.702 12.599 1.00 0.00 O ATOM 135 ND2 ASN A 9 -2.053 -3.772 10.600 1.00 0.00 N ATOM 0 H ASN A 9 -2.066 -5.797 8.678 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.231 -7.364 11.110 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.980 -5.229 9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.321 -5.970 11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.444 -3.060 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.227 -3.785 9.595 1.00 0.00 H new ATOM 142 N GLY A 10 -4.453 -7.670 8.679 1.00 0.00 N ATOM 143 CA GLY A 10 -5.435 -8.581 8.129 1.00 0.00 C ATOM 144 C GLY A 10 -6.618 -7.874 7.493 1.00 0.00 C ATOM 145 O GLY A 10 -7.675 -8.478 7.301 1.00 0.00 O ATOM 0 H GLY A 10 -4.344 -6.795 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.955 -9.215 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.795 -9.238 8.921 1.00 0.00 H new ATOM 149 N ALA A 11 -6.452 -6.602 7.160 1.00 0.00 N ATOM 150 CA ALA A 11 -7.501 -5.849 6.496 1.00 0.00 C ATOM 151 C ALA A 11 -7.466 -6.116 4.996 1.00 0.00 C ATOM 152 O ALA A 11 -6.398 -6.126 4.388 1.00 0.00 O ATOM 153 CB ALA A 11 -7.353 -4.365 6.784 1.00 0.00 C ATOM 0 H ALA A 11 -5.600 -6.071 7.340 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.467 -6.174 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.147 -3.815 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.420 -4.194 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.385 -4.019 6.422 1.00 0.00 H new ATOM 159 N LEU A 12 -8.634 -6.334 4.413 1.00 0.00 N ATOM 160 CA LEU A 12 -8.735 -6.721 3.010 1.00 0.00 C ATOM 161 C LEU A 12 -8.534 -5.543 2.066 1.00 0.00 C ATOM 162 O LEU A 12 -9.082 -4.457 2.271 1.00 0.00 O ATOM 163 CB LEU A 12 -10.085 -7.386 2.752 1.00 0.00 C ATOM 164 CG LEU A 12 -10.141 -8.868 3.117 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.581 -9.329 3.285 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.452 -9.691 2.043 1.00 0.00 C ATOM 0 H LEU A 12 -9.531 -6.250 4.891 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.932 -7.430 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.851 -6.856 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.335 -7.275 1.697 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.623 -9.010 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.596 -10.387 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.057 -8.754 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.123 -9.177 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.496 -10.747 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.955 -9.537 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.410 -9.381 1.959 1.00 0.00 H new ATOM 178 N LEU A 13 -7.748 -5.781 1.027 1.00 0.00 N ATOM 179 CA LEU A 13 -7.453 -4.773 0.022 1.00 0.00 C ATOM 180 C LEU A 13 -8.084 -5.143 -1.313 1.00 0.00 C ATOM 181 O LEU A 13 -8.520 -6.280 -1.513 1.00 0.00 O ATOM 182 CB LEU A 13 -5.940 -4.637 -0.149 1.00 0.00 C ATOM 183 CG LEU A 13 -5.183 -4.209 1.105 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.686 -4.382 0.904 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.514 -2.765 1.455 1.00 0.00 C ATOM 0 H LEU A 13 -7.297 -6.680 0.857 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.870 -3.823 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.541 -5.593 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.743 -3.912 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.494 -4.844 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.160 -4.073 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.465 -5.429 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.358 -3.769 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.967 -2.473 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.228 -2.115 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.585 -2.671 1.637 1.00 0.00 H new ATOM 197 N ALA A 14 -8.118 -4.181 -2.225 1.00 0.00 N ATOM 198 CA ALA A 14 -8.678 -4.389 -3.554 1.00 0.00 C ATOM 199 C ALA A 14 -8.135 -3.346 -4.525 1.00 0.00 C ATOM 200 O ALA A 14 -7.338 -2.492 -4.138 1.00 0.00 O ATOM 201 CB ALA A 14 -10.200 -4.332 -3.503 1.00 0.00 C ATOM 0 H ALA A 14 -7.760 -3.239 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.383 -5.377 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.604 -4.489 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.571 -5.110 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.515 -3.356 -3.134 1.00 0.00 H new ATOM 207 N ASP A 15 -8.557 -3.425 -5.782 1.00 0.00 N ATOM 208 CA ASP A 15 -8.156 -2.444 -6.789 1.00 0.00 C ATOM 209 C ASP A 15 -8.706 -1.067 -6.434 1.00 0.00 C ATOM 210 O ASP A 15 -9.918 -0.878 -6.341 1.00 0.00 O ATOM 211 CB ASP A 15 -8.653 -2.862 -8.177 1.00 0.00 C ATOM 212 CG ASP A 15 -8.227 -1.896 -9.271 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.865 -0.832 -9.421 1.00 0.00 O ATOM 214 OD2 ASP A 15 -7.256 -2.197 -9.991 1.00 0.00 O ATOM 0 H ASP A 15 -9.176 -4.157 -6.130 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.067 -2.398 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.274 -3.857 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.741 -2.931 -8.163 1.00 0.00 H new ATOM 219 N GLY A 16 -7.811 -0.121 -6.216 1.00 0.00 N ATOM 220 CA GLY A 16 -8.216 1.227 -5.878 1.00 0.00 C ATOM 221 C GLY A 16 -8.117 1.499 -4.391 1.00 0.00 C ATOM 222 O GLY A 16 -8.567 2.542 -3.912 1.00 0.00 O ATOM 0 H GLY A 16 -6.802 -0.262 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.591 1.938 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.242 1.390 -6.208 1.00 0.00 H new ATOM 226 N ASP A 17 -7.525 0.565 -3.655 1.00 0.00 N ATOM 227 CA ASP A 17 -7.387 0.703 -2.208 1.00 0.00 C ATOM 228 C ASP A 17 -6.097 1.430 -1.864 1.00 0.00 C ATOM 229 O ASP A 17 -5.286 1.711 -2.743 1.00 0.00 O ATOM 230 CB ASP A 17 -7.399 -0.662 -1.524 1.00 0.00 C ATOM 231 CG ASP A 17 -8.136 -0.621 -0.201 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.629 0.006 0.751 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.248 -1.187 -0.122 1.00 0.00 O ATOM 0 H ASP A 17 -7.133 -0.296 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.236 1.284 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.870 -1.393 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.374 -0.995 -1.359 1.00 0.00 H new ATOM 238 N ASN A 18 -5.903 1.728 -0.592 1.00 0.00 N ATOM 239 CA ASN A 18 -4.730 2.471 -0.161 1.00 0.00 C ATOM 240 C ASN A 18 -4.083 1.836 1.054 1.00 0.00 C ATOM 241 O ASN A 18 -4.758 1.370 1.974 1.00 0.00 O ATOM 242 CB ASN A 18 -5.074 3.934 0.133 1.00 0.00 C ATOM 243 CG ASN A 18 -6.306 4.105 0.992 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.235 4.121 2.217 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.442 4.249 0.342 1.00 0.00 N ATOM 0 H ASN A 18 -6.541 1.468 0.160 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.016 2.441 -0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.226 4.405 0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.223 4.460 -0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.312 4.381 0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.452 4.229 -0.678 1.00 0.00 H new ATOM 252 N VAL A 19 -2.762 1.820 1.041 1.00 0.00 N ATOM 253 CA VAL A 19 -1.981 1.279 2.138 1.00 0.00 C ATOM 254 C VAL A 19 -0.878 2.253 2.529 1.00 0.00 C ATOM 255 O VAL A 19 -0.696 3.288 1.888 1.00 0.00 O ATOM 256 CB VAL A 19 -1.353 -0.089 1.786 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.434 -1.118 1.514 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.416 0.027 0.593 1.00 0.00 C ATOM 0 H VAL A 19 -2.201 2.182 0.270 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.663 1.132 2.975 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.767 -0.419 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.972 -2.074 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.058 -1.233 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.050 -0.787 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.011 -0.951 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.972 0.387 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.386 0.728 0.827 1.00 0.00 H new ATOM 268 N SER A 20 -0.158 1.933 3.588 1.00 0.00 N ATOM 269 CA SER A 20 0.946 2.757 4.043 1.00 0.00 C ATOM 270 C SER A 20 1.994 1.909 4.767 1.00 0.00 C ATOM 271 O SER A 20 1.670 0.887 5.371 1.00 0.00 O ATOM 272 CB SER A 20 0.423 3.886 4.937 1.00 0.00 C ATOM 273 OG SER A 20 -0.252 4.865 4.169 1.00 0.00 O ATOM 0 H SER A 20 -0.320 1.100 4.154 1.00 0.00 H new ATOM 0 HA SER A 20 1.433 3.206 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.253 3.477 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.254 4.346 5.472 1.00 0.00 H new ATOM 0 HG SER A 20 -0.412 4.519 3.266 1.00 0.00 H new ATOM 279 N LEU A 21 3.251 2.332 4.663 1.00 0.00 N ATOM 280 CA LEU A 21 4.387 1.613 5.244 1.00 0.00 C ATOM 281 C LEU A 21 4.276 1.487 6.762 1.00 0.00 C ATOM 282 O LEU A 21 4.059 2.482 7.459 1.00 0.00 O ATOM 283 CB LEU A 21 5.689 2.342 4.893 1.00 0.00 C ATOM 284 CG LEU A 21 6.351 1.947 3.569 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.823 0.511 3.636 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.406 2.142 2.394 1.00 0.00 C ATOM 0 H LEU A 21 3.514 3.186 4.172 1.00 0.00 H new ATOM 0 HA LEU A 21 4.386 0.607 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.486 3.413 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.404 2.172 5.698 1.00 0.00 H new ATOM 0 HG LEU A 21 7.210 2.599 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.292 0.238 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.546 0.403 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.971 -0.144 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.908 1.852 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.519 1.524 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.112 3.190 2.333 1.00 0.00 H new ATOM 298 N ILE A 22 4.450 0.265 7.271 1.00 0.00 N ATOM 299 CA ILE A 22 4.412 0.026 8.714 1.00 0.00 C ATOM 300 C ILE A 22 5.807 0.142 9.312 1.00 0.00 C ATOM 301 O ILE A 22 5.976 0.175 10.529 1.00 0.00 O ATOM 302 CB ILE A 22 3.853 -1.369 9.066 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.805 -2.469 8.586 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.474 -1.548 8.459 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.406 -3.861 9.019 1.00 0.00 C ATOM 0 H ILE A 22 4.618 -0.569 6.708 1.00 0.00 H new ATOM 0 HA ILE A 22 3.749 0.784 9.131 1.00 0.00 H new ATOM 0 HB ILE A 22 3.767 -1.447 10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.858 -2.440 7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.807 -2.257 8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.090 -2.536 8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.802 -0.785 8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.538 -1.452 7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.130 -4.582 8.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.381 -3.910 10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.418 -4.096 8.623 1.00 0.00 H new ATOM 317 N LYS A 23 6.798 0.194 8.438 1.00 0.00 N ATOM 318 CA LYS A 23 8.192 0.282 8.835 1.00 0.00 C ATOM 319 C LYS A 23 8.999 0.892 7.702 1.00 0.00 C ATOM 320 O LYS A 23 8.448 1.203 6.645 1.00 0.00 O ATOM 321 CB LYS A 23 8.748 -1.104 9.192 1.00 0.00 C ATOM 322 CG LYS A 23 8.360 -2.188 8.203 1.00 0.00 C ATOM 323 CD LYS A 23 9.334 -3.363 8.201 1.00 0.00 C ATOM 324 CE LYS A 23 9.281 -4.193 9.479 1.00 0.00 C ATOM 325 NZ LYS A 23 9.986 -3.541 10.618 1.00 0.00 N ATOM 0 H LYS A 23 6.657 0.176 7.428 1.00 0.00 H new ATOM 0 HA LYS A 23 8.267 0.914 9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.835 -1.047 9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.393 -1.384 10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.360 -2.551 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.312 -1.760 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.114 -4.006 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.347 -2.986 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.240 -4.366 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.727 -5.170 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.494 -4.261 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.664 -2.842 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.292 -3.064 11.228 1.00 0.00 H new ATOM 339 N ASP A 24 10.290 1.072 7.921 1.00 0.00 N ATOM 340 CA ASP A 24 11.165 1.618 6.892 1.00 0.00 C ATOM 341 C ASP A 24 11.771 0.482 6.070 1.00 0.00 C ATOM 342 O ASP A 24 12.428 -0.406 6.616 1.00 0.00 O ATOM 343 CB ASP A 24 12.287 2.452 7.519 1.00 0.00 C ATOM 344 CG ASP A 24 11.836 3.256 8.721 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.038 4.197 8.560 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.284 2.946 9.843 1.00 0.00 O ATOM 0 H ASP A 24 10.757 0.849 8.800 1.00 0.00 H new ATOM 0 HA ASP A 24 10.572 2.263 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.099 1.789 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.690 3.131 6.767 1.00 0.00 H new ATOM 351 N LEU A 25 11.538 0.506 4.765 1.00 0.00 N ATOM 352 CA LEU A 25 12.041 -0.534 3.867 1.00 0.00 C ATOM 353 C LEU A 25 13.009 0.068 2.857 1.00 0.00 C ATOM 354 O LEU A 25 12.665 1.008 2.144 1.00 0.00 O ATOM 355 CB LEU A 25 10.891 -1.229 3.115 1.00 0.00 C ATOM 356 CG LEU A 25 10.048 -2.235 3.914 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.910 -3.348 4.494 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.278 -1.549 5.018 1.00 0.00 C ATOM 0 H LEU A 25 11.001 1.237 4.299 1.00 0.00 H new ATOM 0 HA LEU A 25 12.557 -1.276 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.224 -0.459 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.313 -1.748 2.254 1.00 0.00 H new ATOM 0 HG LEU A 25 9.336 -2.679 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.281 -4.041 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.408 -3.882 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.658 -2.919 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.691 -2.287 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.975 -1.062 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.611 -0.803 4.587 1.00 0.00 H new ATOM 511 N LYS A 35 10.550 5.124 4.113 1.00 0.00 N ATOM 512 CA LYS A 35 10.328 5.294 5.536 1.00 0.00 C ATOM 513 C LYS A 35 8.929 4.870 5.939 1.00 0.00 C ATOM 514 O LYS A 35 8.024 4.767 5.111 1.00 0.00 O ATOM 515 CB LYS A 35 10.557 6.750 5.933 1.00 0.00 C ATOM 516 CG LYS A 35 12.023 7.123 6.099 1.00 0.00 C ATOM 517 CD LYS A 35 12.600 6.563 7.390 1.00 0.00 C ATOM 518 CE LYS A 35 11.847 7.071 8.614 1.00 0.00 C ATOM 519 NZ LYS A 35 12.318 6.420 9.862 1.00 0.00 N ATOM 0 HA LYS A 35 11.039 4.655 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.112 7.396 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.034 6.947 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.594 6.745 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.126 8.208 6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.559 5.474 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.651 6.841 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.975 8.150 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.780 6.885 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.171 7.063 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.783 5.542 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.330 6.198 9.777 1.00 0.00 H new ATOM 533 N ARG A 36 8.777 4.619 7.221 1.00 0.00 N ATOM 534 CA ARG A 36 7.487 4.317 7.805 1.00 0.00 C ATOM 535 C ARG A 36 6.543 5.498 7.621 1.00 0.00 C ATOM 536 O ARG A 36 6.949 6.653 7.759 1.00 0.00 O ATOM 537 CB ARG A 36 7.670 4.010 9.289 1.00 0.00 C ATOM 538 CG ARG A 36 6.403 3.545 9.977 1.00 0.00 C ATOM 539 CD ARG A 36 6.677 3.120 11.406 1.00 0.00 C ATOM 540 NE ARG A 36 5.447 2.734 12.095 1.00 0.00 N ATOM 541 CZ ARG A 36 5.189 3.006 13.370 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.121 3.552 14.144 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.006 2.688 13.880 1.00 0.00 N ATOM 0 H ARG A 36 9.547 4.618 7.890 1.00 0.00 H new ATOM 0 HA ARG A 36 7.053 3.449 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.436 3.242 9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.039 4.903 9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.666 4.348 9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.971 2.711 9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.376 2.283 11.410 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.156 3.938 11.945 1.00 0.00 H new ATOM 0 HE ARG A 36 4.742 2.223 11.563 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.042 3.765 13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.916 3.758 15.122 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.302 2.238 13.294 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.800 2.893 14.858 1.00 0.00 H new ATOM 557 N GLY A 37 5.293 5.216 7.290 1.00 0.00 N ATOM 558 CA GLY A 37 4.330 6.281 7.096 1.00 0.00 C ATOM 559 C GLY A 37 4.145 6.641 5.636 1.00 0.00 C ATOM 560 O GLY A 37 3.204 7.358 5.289 1.00 0.00 O ATOM 0 H GLY A 37 4.928 4.273 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.371 5.979 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.655 7.164 7.646 1.00 0.00 H new ATOM 564 N THR A 38 5.046 6.156 4.783 1.00 0.00 N ATOM 565 CA THR A 38 4.936 6.376 3.346 1.00 0.00 C ATOM 566 C THR A 38 3.617 5.813 2.830 1.00 0.00 C ATOM 567 O THR A 38 3.350 4.617 2.962 1.00 0.00 O ATOM 568 CB THR A 38 6.104 5.719 2.583 1.00 0.00 C ATOM 569 OG1 THR A 38 7.350 6.223 3.078 1.00 0.00 O ATOM 570 CG2 THR A 38 6.007 5.989 1.088 1.00 0.00 C ATOM 0 H THR A 38 5.859 5.609 5.064 1.00 0.00 H new ATOM 0 HA THR A 38 4.973 7.452 3.173 1.00 0.00 H new ATOM 0 HB THR A 38 6.049 4.642 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.601 5.734 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.844 5.513 0.577 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.070 5.584 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.037 7.064 0.910 1.00 0.00 H new ATOM 578 N MET A 39 2.790 6.677 2.267 1.00 0.00 N ATOM 579 CA MET A 39 1.481 6.267 1.809 1.00 0.00 C ATOM 580 C MET A 39 1.546 5.759 0.385 1.00 0.00 C ATOM 581 O MET A 39 2.038 6.442 -0.517 1.00 0.00 O ATOM 582 CB MET A 39 0.476 7.414 1.916 1.00 0.00 C ATOM 583 CG MET A 39 -0.958 6.968 1.680 1.00 0.00 C ATOM 584 SD MET A 39 -2.162 8.129 2.341 1.00 0.00 S ATOM 585 CE MET A 39 -3.515 7.013 2.693 1.00 0.00 C ATOM 0 H MET A 39 3.004 7.663 2.118 1.00 0.00 H new ATOM 0 HA MET A 39 1.143 5.455 2.453 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.552 7.866 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.735 8.186 1.191 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.125 6.847 0.610 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.111 5.991 2.139 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.376 7.280 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.212 5.991 2.467 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.783 7.087 3.747 1.00 0.00 H new ATOM 595 N ILE A 40 1.070 4.544 0.208 1.00 0.00 N ATOM 596 CA ILE A 40 0.931 3.949 -1.107 1.00 0.00 C ATOM 597 C ILE A 40 -0.549 3.740 -1.393 1.00 0.00 C ATOM 598 O ILE A 40 -1.128 2.718 -1.027 1.00 0.00 O ATOM 599 CB ILE A 40 1.676 2.599 -1.215 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.145 2.765 -0.824 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.563 2.032 -2.624 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.953 1.489 -0.943 1.00 0.00 C ATOM 0 H ILE A 40 0.768 3.940 0.972 1.00 0.00 H new ATOM 0 HA ILE A 40 1.375 4.625 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 40 1.210 1.896 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.596 3.531 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.200 3.126 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.094 1.082 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.513 1.875 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.001 2.733 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.985 1.683 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.527 0.727 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.929 1.138 -1.975 1.00 0.00 H new ATOM 614 N ARG A 41 -1.172 4.729 -2.003 1.00 0.00 N ATOM 615 CA ARG A 41 -2.602 4.670 -2.249 1.00 0.00 C ATOM 616 C ARG A 41 -2.885 4.466 -3.729 1.00 0.00 C ATOM 617 O ARG A 41 -2.113 4.895 -4.581 1.00 0.00 O ATOM 618 CB ARG A 41 -3.288 5.928 -1.702 1.00 0.00 C ATOM 619 CG ARG A 41 -2.761 7.240 -2.253 1.00 0.00 C ATOM 620 CD ARG A 41 -3.670 7.777 -3.339 1.00 0.00 C ATOM 621 NE ARG A 41 -3.269 9.105 -3.791 1.00 0.00 N ATOM 622 CZ ARG A 41 -3.990 10.207 -3.591 1.00 0.00 C ATOM 623 NH1 ARG A 41 -5.109 10.151 -2.869 1.00 0.00 N ATOM 624 NH2 ARG A 41 -3.581 11.367 -4.091 1.00 0.00 N ATOM 0 H ARG A 41 -0.716 5.578 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.017 3.812 -1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.355 5.864 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.182 5.938 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.680 7.970 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.758 7.094 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.665 7.091 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.694 7.816 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.384 9.195 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.414 9.264 -2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.660 10.996 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.715 11.414 -4.628 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.133 12.211 -3.938 1.00 0.00 H new ATOM 638 N GLY A 42 -3.989 3.798 -4.027 1.00 0.00 N ATOM 639 CA GLY A 42 -4.283 3.438 -5.394 1.00 0.00 C ATOM 640 C GLY A 42 -3.628 2.125 -5.768 1.00 0.00 C ATOM 641 O GLY A 42 -3.059 1.989 -6.853 1.00 0.00 O ATOM 0 H GLY A 42 -4.686 3.500 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.362 3.360 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.934 4.225 -6.063 1.00 0.00 H new ATOM 645 N ILE A 43 -3.697 1.164 -4.854 1.00 0.00 N ATOM 646 CA ILE A 43 -3.093 -0.144 -5.062 1.00 0.00 C ATOM 647 C ILE A 43 -4.105 -1.091 -5.683 1.00 0.00 C ATOM 648 O ILE A 43 -5.307 -0.856 -5.611 1.00 0.00 O ATOM 649 CB ILE A 43 -2.552 -0.755 -3.735 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.686 -1.168 -2.782 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.633 0.233 -3.038 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.125 -2.614 -2.919 1.00 0.00 C ATOM 0 H ILE A 43 -4.169 1.269 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.248 -0.009 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.995 -1.654 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.363 -0.995 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.546 -0.522 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.262 -0.206 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.792 0.470 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.185 1.145 -2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.927 -2.819 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.482 -2.791 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.281 -3.272 -2.712 1.00 0.00 H new ATOM 664 N ARG A 44 -3.620 -2.154 -6.292 1.00 0.00 N ATOM 665 CA ARG A 44 -4.492 -3.165 -6.860 1.00 0.00 C ATOM 666 C ARG A 44 -3.923 -4.552 -6.627 1.00 0.00 C ATOM 667 O ARG A 44 -2.732 -4.706 -6.347 1.00 0.00 O ATOM 668 CB ARG A 44 -4.709 -2.915 -8.352 1.00 0.00 C ATOM 669 CG ARG A 44 -3.434 -2.636 -9.125 1.00 0.00 C ATOM 670 CD ARG A 44 -3.745 -2.291 -10.569 1.00 0.00 C ATOM 671 NE ARG A 44 -2.573 -1.791 -11.281 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.592 -0.743 -12.099 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.709 -0.042 -12.271 1.00 0.00 N ATOM 674 NH2 ARG A 44 -1.482 -0.383 -12.727 1.00 0.00 N ATOM 0 H ARG A 44 -2.624 -2.341 -6.407 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.459 -3.103 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.202 -3.784 -8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.387 -2.070 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.893 -1.813 -8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.782 -3.509 -9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.127 -3.176 -11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.534 -1.540 -10.599 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.686 -2.275 -11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.559 -0.307 -11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.716 0.761 -12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.620 -0.909 -12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.489 0.420 -13.356 1.00 0.00 H new ATOM 688 N LEU A 45 -4.782 -5.553 -6.739 1.00 0.00 N ATOM 689 CA LEU A 45 -4.393 -6.929 -6.480 1.00 0.00 C ATOM 690 C LEU A 45 -3.662 -7.506 -7.686 1.00 0.00 C ATOM 691 O LEU A 45 -3.866 -7.058 -8.814 1.00 0.00 O ATOM 692 CB LEU A 45 -5.631 -7.770 -6.150 1.00 0.00 C ATOM 693 CG LEU A 45 -6.538 -7.201 -5.051 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.614 -8.207 -4.674 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.732 -6.792 -3.828 1.00 0.00 C ATOM 0 H LEU A 45 -5.759 -5.436 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.718 -6.951 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.221 -7.890 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.304 -8.765 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.022 -6.307 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.248 -7.786 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.221 -8.436 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.146 -9.121 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.403 -6.393 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.208 -7.661 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.007 -6.028 -4.109 1.00 0.00 H new ATOM 707 N THR A 46 -2.813 -8.491 -7.444 1.00 0.00 N ATOM 708 CA THR A 46 -1.994 -9.070 -8.498 1.00 0.00 C ATOM 709 C THR A 46 -2.267 -10.567 -8.626 1.00 0.00 C ATOM 710 O THR A 46 -3.316 -11.053 -8.197 1.00 0.00 O ATOM 711 CB THR A 46 -0.496 -8.841 -8.202 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.159 -9.385 -6.915 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.150 -7.359 -8.239 1.00 0.00 C ATOM 0 H THR A 46 -2.672 -8.908 -6.524 1.00 0.00 H new ATOM 0 HA THR A 46 -2.252 -8.580 -9.437 1.00 0.00 H new ATOM 0 HB THR A 46 0.082 -9.349 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.448 -8.766 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.911 -7.228 -8.027 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.375 -6.957 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.738 -6.829 -7.489 1.00 0.00 H new ATOM 721 N ASP A 47 -1.327 -11.298 -9.223 1.00 0.00 N ATOM 722 CA ASP A 47 -1.398 -12.756 -9.253 1.00 0.00 C ATOM 723 C ASP A 47 -1.123 -13.300 -7.861 1.00 0.00 C ATOM 724 O ASP A 47 -1.360 -14.472 -7.566 1.00 0.00 O ATOM 725 CB ASP A 47 -0.376 -13.349 -10.232 1.00 0.00 C ATOM 726 CG ASP A 47 -0.646 -12.993 -11.678 1.00 0.00 C ATOM 727 OD1 ASP A 47 -1.535 -13.620 -12.295 1.00 0.00 O ATOM 728 OD2 ASP A 47 0.047 -12.103 -12.213 1.00 0.00 O ATOM 0 H ASP A 47 -0.510 -10.905 -9.691 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.397 -13.039 -9.586 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.620 -13.000 -9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.373 -14.434 -10.128 1.00 0.00 H new ATOM 733 N SER A 48 -0.602 -12.432 -7.013 1.00 0.00 N ATOM 734 CA SER A 48 -0.238 -12.788 -5.667 1.00 0.00 C ATOM 735 C SER A 48 -1.285 -12.334 -4.664 1.00 0.00 C ATOM 736 O SER A 48 -1.947 -11.313 -4.849 1.00 0.00 O ATOM 737 CB SER A 48 1.097 -12.142 -5.331 1.00 0.00 C ATOM 738 OG SER A 48 2.153 -12.699 -6.094 1.00 0.00 O ATOM 0 H SER A 48 -0.421 -11.456 -7.247 1.00 0.00 H new ATOM 0 HA SER A 48 -0.166 -13.874 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.040 -11.069 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.307 -12.271 -4.269 1.00 0.00 H new ATOM 0 HG SER A 48 3.003 -12.558 -5.628 1.00 0.00 H new ATOM 744 N GLU A 49 -1.415 -13.105 -3.601 1.00 0.00 N ATOM 745 CA GLU A 49 -2.243 -12.730 -2.468 1.00 0.00 C ATOM 746 C GLU A 49 -1.368 -12.011 -1.460 1.00 0.00 C ATOM 747 O GLU A 49 -1.842 -11.342 -0.545 1.00 0.00 O ATOM 748 CB GLU A 49 -2.843 -13.968 -1.809 1.00 0.00 C ATOM 749 CG GLU A 49 -3.431 -14.961 -2.789 1.00 0.00 C ATOM 750 CD GLU A 49 -3.915 -16.225 -2.109 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.391 -16.140 -0.956 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.827 -17.310 -2.725 1.00 0.00 O ATOM 0 H GLU A 49 -0.951 -14.007 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.055 -12.088 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.071 -14.465 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.621 -13.656 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.262 -14.496 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.680 -15.218 -3.536 1.00 0.00 H new ATOM 759 N ASP A 50 -0.072 -12.187 -1.648 1.00 0.00 N ATOM 760 CA ASP A 50 0.935 -11.663 -0.744 1.00 0.00 C ATOM 761 C ASP A 50 1.452 -10.323 -1.246 1.00 0.00 C ATOM 762 O ASP A 50 2.087 -9.570 -0.510 1.00 0.00 O ATOM 763 CB ASP A 50 2.092 -12.658 -0.651 1.00 0.00 C ATOM 764 CG ASP A 50 1.659 -14.026 -0.171 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.217 -14.844 -1.012 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.763 -14.300 1.042 1.00 0.00 O ATOM 0 H ASP A 50 0.314 -12.702 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 50 0.491 -11.518 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.561 -12.754 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.849 -12.264 0.027 1.00 0.00 H new ATOM 771 N GLU A 51 1.158 -10.029 -2.504 1.00 0.00 N ATOM 772 CA GLU A 51 1.660 -8.826 -3.150 1.00 0.00 C ATOM 773 C GLU A 51 0.533 -7.998 -3.739 1.00 0.00 C ATOM 774 O GLU A 51 -0.486 -8.526 -4.185 1.00 0.00 O ATOM 775 CB GLU A 51 2.633 -9.164 -4.279 1.00 0.00 C ATOM 776 CG GLU A 51 4.058 -9.466 -3.841 1.00 0.00 C ATOM 777 CD GLU A 51 4.253 -10.882 -3.346 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.870 -11.828 -4.068 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.818 -11.054 -2.244 1.00 0.00 O ATOM 0 H GLU A 51 0.570 -10.611 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 51 2.172 -8.256 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.247 -10.026 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.655 -8.329 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.732 -9.287 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.341 -8.771 -3.050 1.00 0.00 H new ATOM 786 N ILE A 52 0.747 -6.700 -3.750 1.00 0.00 N ATOM 787 CA ILE A 52 -0.132 -5.765 -4.423 1.00 0.00 C ATOM 788 C ILE A 52 0.699 -4.811 -5.260 1.00 0.00 C ATOM 789 O ILE A 52 1.898 -4.673 -5.041 1.00 0.00 O ATOM 790 CB ILE A 52 -1.004 -4.961 -3.431 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.161 -4.376 -2.290 1.00 0.00 C ATOM 792 CG2 ILE A 52 -2.120 -5.826 -2.880 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.426 -3.013 -2.590 1.00 0.00 C ATOM 0 H ILE A 52 1.543 -6.259 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.807 -6.341 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.447 -4.128 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.780 -4.304 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.651 -5.067 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.723 -5.243 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.748 -6.175 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.693 -6.683 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.007 -2.671 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.073 -3.080 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.379 -2.306 -2.788 1.00 0.00 H new ATOM 805 N GLU A 53 0.075 -4.164 -6.216 1.00 0.00 N ATOM 806 CA GLU A 53 0.764 -3.183 -7.027 1.00 0.00 C ATOM 807 C GLU A 53 0.153 -1.816 -6.784 1.00 0.00 C ATOM 808 O GLU A 53 -1.049 -1.629 -6.962 1.00 0.00 O ATOM 809 CB GLU A 53 0.662 -3.562 -8.497 1.00 0.00 C ATOM 810 CG GLU A 53 1.387 -2.611 -9.439 1.00 0.00 C ATOM 811 CD GLU A 53 1.095 -2.896 -10.898 1.00 0.00 C ATOM 812 OE1 GLU A 53 1.797 -3.733 -11.502 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.164 -2.283 -11.455 1.00 0.00 O ATOM 0 H GLU A 53 -0.908 -4.298 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 53 1.819 -3.154 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.066 -4.566 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.390 -3.602 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.096 -1.586 -9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.461 -2.684 -9.267 1.00 0.00 H new ATOM 820 N GLY A 54 0.970 -0.870 -6.365 1.00 0.00 N ATOM 821 CA GLY A 54 0.454 0.433 -6.018 1.00 0.00 C ATOM 822 C GLY A 54 1.262 1.557 -6.615 1.00 0.00 C ATOM 823 O GLY A 54 1.944 1.380 -7.625 1.00 0.00 O ATOM 0 H GLY A 54 1.979 -0.979 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.578 0.513 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.441 0.537 -4.933 1.00 0.00 H new ATOM 827 N ARG A 55 1.189 2.718 -5.992 1.00 0.00 N ATOM 828 CA ARG A 55 1.902 3.885 -6.468 1.00 0.00 C ATOM 829 C ARG A 55 2.272 4.776 -5.293 1.00 0.00 C ATOM 830 O ARG A 55 1.567 4.815 -4.285 1.00 0.00 O ATOM 831 CB ARG A 55 1.037 4.654 -7.469 1.00 0.00 C ATOM 832 CG ARG A 55 -0.112 5.412 -6.829 1.00 0.00 C ATOM 833 CD ARG A 55 -1.213 5.701 -7.829 1.00 0.00 C ATOM 834 NE ARG A 55 -1.993 4.501 -8.142 1.00 0.00 N ATOM 835 CZ ARG A 55 -2.793 4.385 -9.201 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.851 5.354 -10.105 1.00 0.00 N ATOM 837 NH2 ARG A 55 -3.514 3.282 -9.363 1.00 0.00 N ATOM 0 H ARG A 55 0.638 2.877 -5.148 1.00 0.00 H new ATOM 0 HA ARG A 55 2.816 3.568 -6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.666 5.358 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.635 3.954 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.516 4.831 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.257 6.349 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.874 6.470 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.777 6.100 -8.745 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.919 3.704 -7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.282 6.193 -9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.465 5.261 -10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.454 2.528 -8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.128 3.188 -10.172 1.00 0.00 H new ATOM 918 N LYS A 60 5.561 5.201 -9.068 1.00 0.00 N ATOM 919 CA LYS A 60 4.231 4.717 -9.393 1.00 0.00 C ATOM 920 C LYS A 60 4.313 3.391 -10.128 1.00 0.00 C ATOM 921 O LYS A 60 5.284 3.121 -10.834 1.00 0.00 O ATOM 922 CB LYS A 60 3.437 5.755 -10.196 1.00 0.00 C ATOM 923 CG LYS A 60 4.221 6.382 -11.326 1.00 0.00 C ATOM 924 CD LYS A 60 4.299 5.479 -12.542 1.00 0.00 C ATOM 925 CE LYS A 60 5.582 5.728 -13.305 1.00 0.00 C ATOM 926 NZ LYS A 60 5.673 4.917 -14.546 1.00 0.00 N ATOM 0 HA LYS A 60 3.692 4.554 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.545 5.280 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.098 6.541 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.756 7.327 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.229 6.612 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.250 4.435 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.442 5.658 -13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.650 6.786 -13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.433 5.500 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.569 5.124 -15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.636 3.906 -14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.877 5.152 -15.173 1.00 0.00 H new ATOM 940 N GLY A 61 3.303 2.563 -9.933 1.00 0.00 N ATOM 941 CA GLY A 61 3.259 1.271 -10.582 1.00 0.00 C ATOM 942 C GLY A 61 4.329 0.330 -10.078 1.00 0.00 C ATOM 943 O GLY A 61 5.071 -0.254 -10.866 1.00 0.00 O ATOM 0 H GLY A 61 2.505 2.764 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.279 0.821 -10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.375 1.405 -11.657 1.00 0.00 H new ATOM 947 N LEU A 62 4.428 0.185 -8.764 1.00 0.00 N ATOM 948 CA LEU A 62 5.398 -0.724 -8.191 1.00 0.00 C ATOM 949 C LEU A 62 4.685 -1.858 -7.464 1.00 0.00 C ATOM 950 O LEU A 62 3.709 -1.637 -6.739 1.00 0.00 O ATOM 951 CB LEU A 62 6.374 0.009 -7.255 1.00 0.00 C ATOM 952 CG LEU A 62 5.874 0.317 -5.841 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.025 0.815 -4.981 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.756 1.349 -5.852 1.00 0.00 C ATOM 0 H LEU A 62 3.852 0.682 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 62 5.990 -1.148 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.280 -0.591 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.657 0.950 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 62 5.474 -0.606 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.661 1.032 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.799 0.049 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.441 1.722 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.428 1.541 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.120 2.275 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.918 0.971 -6.437 1.00 0.00 H new ATOM 966 N VAL A 63 5.160 -3.069 -7.685 1.00 0.00 N ATOM 967 CA VAL A 63 4.582 -4.248 -7.064 1.00 0.00 C ATOM 968 C VAL A 63 5.314 -4.555 -5.767 1.00 0.00 C ATOM 969 O VAL A 63 6.532 -4.742 -5.763 1.00 0.00 O ATOM 970 CB VAL A 63 4.657 -5.479 -7.994 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.953 -6.675 -7.369 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.064 -5.161 -9.358 1.00 0.00 C ATOM 0 H VAL A 63 5.953 -3.264 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 63 3.532 -4.036 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 63 5.708 -5.736 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.019 -7.529 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.430 -6.923 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.905 -6.430 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.127 -6.042 -9.997 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.020 -4.871 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.619 -4.342 -9.814 1.00 0.00 H new ATOM 982 N LEU A 64 4.578 -4.594 -4.673 1.00 0.00 N ATOM 983 CA LEU A 64 5.179 -4.847 -3.370 1.00 0.00 C ATOM 984 C LEU A 64 4.400 -5.867 -2.570 1.00 0.00 C ATOM 985 O LEU A 64 3.179 -5.964 -2.673 1.00 0.00 O ATOM 986 CB LEU A 64 5.300 -3.561 -2.553 1.00 0.00 C ATOM 987 CG LEU A 64 6.500 -2.691 -2.903 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.351 -1.306 -2.296 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.779 -3.362 -2.420 1.00 0.00 C ATOM 0 H LEU A 64 3.568 -4.455 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 64 6.174 -5.246 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.392 -2.974 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.355 -3.823 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 64 6.553 -2.576 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.218 -0.699 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.448 -0.834 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.280 -1.390 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.635 -2.737 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.734 -3.497 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.885 -4.334 -2.902 1.00 0.00 H new ATOM 1001 N ARG A 65 5.131 -6.634 -1.780 1.00 0.00 N ATOM 1002 CA ARG A 65 4.533 -7.525 -0.810 1.00 0.00 C ATOM 1003 C ARG A 65 3.828 -6.718 0.271 1.00 0.00 C ATOM 1004 O ARG A 65 4.404 -5.799 0.854 1.00 0.00 O ATOM 1005 CB ARG A 65 5.602 -8.422 -0.189 1.00 0.00 C ATOM 1006 CG ARG A 65 6.876 -7.681 0.176 1.00 0.00 C ATOM 1007 CD ARG A 65 7.822 -8.553 0.987 1.00 0.00 C ATOM 1008 NE ARG A 65 8.764 -9.281 0.134 1.00 0.00 N ATOM 1009 CZ ARG A 65 9.161 -10.540 0.333 1.00 0.00 C ATOM 1010 NH1 ARG A 65 8.612 -11.286 1.283 1.00 0.00 N ATOM 1011 NH2 ARG A 65 10.097 -11.061 -0.451 1.00 0.00 N ATOM 0 H ARG A 65 6.151 -6.655 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 65 3.800 -8.155 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.195 -8.892 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.844 -9.223 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.377 -7.349 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.626 -6.787 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.376 -7.931 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.244 -9.264 1.577 1.00 0.00 H new ATOM 0 HE ARG A 65 9.146 -8.789 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.876 -10.899 1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.926 -12.246 1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.507 -10.500 -1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.407 -12.022 -0.306 1.00 0.00 H new ATOM 1025 N THR A 66 2.593 -7.078 0.550 1.00 0.00 N ATOM 1026 CA THR A 66 1.768 -6.333 1.484 1.00 0.00 C ATOM 1027 C THR A 66 2.008 -6.806 2.921 1.00 0.00 C ATOM 1028 O THR A 66 1.158 -6.643 3.798 1.00 0.00 O ATOM 1029 CB THR A 66 0.273 -6.472 1.109 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.539 -5.674 1.975 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.173 -7.928 1.173 1.00 0.00 C ATOM 0 H THR A 66 2.132 -7.890 0.140 1.00 0.00 H new ATOM 0 HA THR A 66 2.046 -5.281 1.423 1.00 0.00 H new ATOM 0 HB THR A 66 0.151 -6.118 0.085 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.098 -5.584 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.227 -7.998 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.419 -8.521 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.030 -8.308 2.184 1.00 0.00 H new ATOM 1039 N GLU A 67 3.197 -7.342 3.174 1.00 0.00 N ATOM 1040 CA GLU A 67 3.512 -7.906 4.476 1.00 0.00 C ATOM 1041 C GLU A 67 3.966 -6.809 5.408 1.00 0.00 C ATOM 1042 O GLU A 67 3.892 -6.927 6.630 1.00 0.00 O ATOM 1043 CB GLU A 67 4.606 -8.951 4.335 1.00 0.00 C ATOM 1044 CG GLU A 67 4.367 -9.883 3.173 1.00 0.00 C ATOM 1045 CD GLU A 67 5.326 -11.046 3.163 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.445 -10.889 2.642 1.00 0.00 O ATOM 1047 OE2 GLU A 67 4.976 -12.119 3.689 1.00 0.00 O ATOM 0 H GLU A 67 3.956 -7.397 2.494 1.00 0.00 H new ATOM 0 HA GLU A 67 2.621 -8.379 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.566 -8.452 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.670 -9.532 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.345 -10.259 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.463 -9.328 2.240 1.00 0.00 H new ATOM 1054 N PHE A 68 4.429 -5.737 4.801 1.00 0.00 N ATOM 1055 CA PHE A 68 4.918 -4.591 5.539 1.00 0.00 C ATOM 1056 C PHE A 68 4.072 -3.361 5.247 1.00 0.00 C ATOM 1057 O PHE A 68 4.486 -2.225 5.495 1.00 0.00 O ATOM 1058 CB PHE A 68 6.394 -4.343 5.210 1.00 0.00 C ATOM 1059 CG PHE A 68 6.697 -4.094 3.754 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.423 -2.871 3.163 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.281 -5.084 2.982 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.723 -2.643 1.834 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.581 -4.860 1.654 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.301 -3.639 1.079 1.00 0.00 C ATOM 0 H PHE A 68 4.477 -5.635 3.787 1.00 0.00 H new ATOM 0 HA PHE A 68 4.837 -4.799 6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.739 -3.485 5.788 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.973 -5.205 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.969 -2.086 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.504 -6.043 3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.504 -1.684 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.036 -5.642 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.534 -3.464 0.039 1.00 0.00 H new ATOM 1074 N LEU A 69 2.870 -3.593 4.745 1.00 0.00 N ATOM 1075 CA LEU A 69 1.972 -2.506 4.417 1.00 0.00 C ATOM 1076 C LEU A 69 0.730 -2.582 5.279 1.00 0.00 C ATOM 1077 O LEU A 69 0.265 -3.664 5.634 1.00 0.00 O ATOM 1078 CB LEU A 69 1.585 -2.542 2.938 1.00 0.00 C ATOM 1079 CG LEU A 69 2.753 -2.501 1.948 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.260 -2.752 0.533 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.471 -1.164 2.021 1.00 0.00 C ATOM 0 H LEU A 69 2.497 -4.524 4.557 1.00 0.00 H new ATOM 0 HA LEU A 69 2.489 -1.566 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.007 -3.448 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.928 -1.697 2.732 1.00 0.00 H new ATOM 0 HG LEU A 69 3.456 -3.288 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.103 -2.719 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.786 -3.732 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.536 -1.985 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.297 -1.155 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.774 -0.363 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.858 -1.013 3.029 1.00 0.00 H new ATOM 1093 N LYS A 70 0.220 -1.420 5.619 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.965 -1.303 6.440 1.00 0.00 C ATOM 1095 C LYS A 70 -2.080 -0.687 5.622 1.00 0.00 C ATOM 1096 O LYS A 70 -1.852 0.303 4.931 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.671 -0.408 7.645 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.256 -0.916 8.950 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.775 -1.017 8.902 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.442 -0.040 9.860 1.00 0.00 C ATOM 1101 NZ LYS A 70 -3.280 1.376 9.433 1.00 0.00 N ATOM 0 H LYS A 70 0.617 -0.525 5.333 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.264 -2.292 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.409 -0.310 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.063 0.590 7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.836 -1.896 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.964 -0.249 9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.119 -0.821 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.079 -2.034 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.504 -0.275 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.018 -0.167 10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.722 2.003 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.268 1.602 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.737 1.514 8.509 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.270 -1.265 5.681 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.423 -0.658 5.039 1.00 0.00 C ATOM 1117 C LYS A 71 -4.628 0.736 5.617 1.00 0.00 C ATOM 1118 O LYS A 71 -4.774 0.896 6.832 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.680 -1.499 5.258 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.895 -0.962 4.522 1.00 0.00 C ATOM 1121 CD LYS A 71 -8.182 -1.335 5.235 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.402 -0.821 4.494 1.00 0.00 C ATOM 1123 NZ LYS A 71 -10.637 -0.954 5.308 1.00 0.00 N ATOM 0 H LYS A 71 -3.461 -2.144 6.162 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.241 -0.599 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.487 -2.521 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.899 -1.542 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.823 0.123 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.912 -1.358 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.244 -2.419 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.170 -0.926 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.252 0.226 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.520 -1.372 3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.449 -0.592 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.794 -1.956 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.534 -0.407 6.187 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.614 1.737 4.758 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.695 3.113 5.208 1.00 0.00 C ATOM 1139 C ALA A 72 -6.143 3.571 5.298 1.00 0.00 C ATOM 1140 O ALA A 72 -7.060 2.850 4.894 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.896 4.015 4.283 1.00 0.00 C ATOM 0 H ALA A 72 -4.547 1.624 3.747 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.265 3.176 6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.965 5.046 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.852 3.701 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.297 3.946 3.272 1.00 0.00 H new