USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 454 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 23 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.21) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -119:sc= 1.25 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.517 K(o=1.8,f=-0.094!) USER MOD Single : A 21 GLN : amide:sc= -0.0648 X(o=-0.065,f=-0.17) USER MOD Single : A 24 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.518 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.37) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.721 K(o=0.72,f=-0.86) USER MOD Single : A 56 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.19) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.921 (180deg=0.904) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 147:sc= 0.839 USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.538 2.270 -0.618 1.00 0.00 N ATOM 9 CA ALA A 12 1.886 3.683 -0.720 1.00 0.00 C ATOM 10 C ALA A 12 2.020 4.319 0.658 1.00 0.00 C ATOM 11 O ALA A 12 2.941 5.096 0.906 1.00 0.00 O ATOM 12 CB ALA A 12 0.851 4.425 -1.552 1.00 0.00 C ATOM 0 HA ALA A 12 2.853 3.757 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.125 5.478 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.813 3.996 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.128 4.334 -1.081 1.00 0.00 H new ATOM 18 N PRO A 13 1.095 3.983 1.550 1.00 0.00 N ATOM 19 CA PRO A 13 1.119 4.506 2.911 1.00 0.00 C ATOM 20 C PRO A 13 2.445 4.200 3.595 1.00 0.00 C ATOM 21 O PRO A 13 2.996 5.041 4.306 1.00 0.00 O ATOM 22 CB PRO A 13 -0.059 3.809 3.600 1.00 0.00 C ATOM 23 CG PRO A 13 -1.001 3.486 2.490 1.00 0.00 C ATOM 24 CD PRO A 13 -0.127 3.107 1.324 1.00 0.00 C ATOM 0 HA PRO A 13 1.028 5.592 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.263 2.908 4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.526 4.458 4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.667 2.668 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.631 4.342 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.124 2.046 1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.608 3.316 0.368 1.00 0.00 H new ATOM 32 N GLY A 14 2.954 2.993 3.376 1.00 0.00 N ATOM 33 CA GLY A 14 4.213 2.571 3.979 1.00 0.00 C ATOM 34 C GLY A 14 5.394 3.304 3.355 1.00 0.00 C ATOM 35 O GLY A 14 6.327 3.703 4.052 1.00 0.00 O ATOM 0 H GLY A 14 2.514 2.288 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.188 2.763 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.339 1.496 3.850 1.00 0.00 H new ATOM 39 N ILE A 15 5.349 3.475 2.039 1.00 0.00 N ATOM 40 CA ILE A 15 6.397 4.193 1.323 1.00 0.00 C ATOM 41 C ILE A 15 6.458 5.653 1.756 1.00 0.00 C ATOM 42 O ILE A 15 7.539 6.205 1.959 1.00 0.00 O ATOM 43 CB ILE A 15 6.188 4.127 -0.200 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.402 2.699 -0.707 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.127 5.092 -0.908 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.930 2.477 -2.126 1.00 0.00 C ATOM 0 H ILE A 15 4.597 3.126 1.445 1.00 0.00 H new ATOM 0 HA ILE A 15 7.339 3.704 1.571 1.00 0.00 H new ATOM 0 HB ILE A 15 5.162 4.421 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.463 2.457 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.878 2.007 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.966 5.033 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.929 6.108 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.160 4.828 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.115 1.442 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.862 2.686 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.472 3.143 -2.798 1.00 0.00 H new ATOM 58 N ILE A 16 5.292 6.274 1.893 1.00 0.00 N ATOM 59 CA ILE A 16 5.212 7.684 2.252 1.00 0.00 C ATOM 60 C ILE A 16 5.644 7.910 3.695 1.00 0.00 C ATOM 61 O ILE A 16 6.404 8.834 3.990 1.00 0.00 O ATOM 62 CB ILE A 16 3.789 8.237 2.060 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.425 8.273 0.573 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.669 9.623 2.674 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.959 8.524 0.309 1.00 0.00 C ATOM 0 H ILE A 16 4.387 5.822 1.760 1.00 0.00 H new ATOM 0 HA ILE A 16 5.890 8.216 1.585 1.00 0.00 H new ATOM 0 HB ILE A 16 3.089 7.575 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.011 9.051 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.710 7.325 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.656 9.999 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.887 9.568 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.378 10.297 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.780 8.535 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.366 7.733 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.672 9.485 0.735 1.00 0.00 H new ATOM 77 N LEU A 17 5.156 7.062 4.594 1.00 0.00 N ATOM 78 CA LEU A 17 5.520 7.145 6.003 1.00 0.00 C ATOM 79 C LEU A 17 7.025 7.006 6.193 1.00 0.00 C ATOM 80 O LEU A 17 7.642 7.782 6.922 1.00 0.00 O ATOM 81 CB LEU A 17 4.779 6.069 6.807 1.00 0.00 C ATOM 82 CG LEU A 17 5.083 6.051 8.310 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.652 7.365 8.945 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.365 4.876 8.960 1.00 0.00 C ATOM 0 H LEU A 17 4.506 6.308 4.371 1.00 0.00 H new ATOM 0 HA LEU A 17 5.225 8.128 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.707 6.211 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.027 5.092 6.391 1.00 0.00 H new ATOM 0 HG LEU A 17 6.156 5.934 8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.872 7.343 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.194 8.189 8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.581 7.506 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.581 4.863 10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.290 4.977 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.709 3.945 8.509 1.00 0.00 H new ATOM 96 N ARG A 18 7.610 6.012 5.534 1.00 0.00 N ATOM 97 CA ARG A 18 9.053 5.811 5.574 1.00 0.00 C ATOM 98 C ARG A 18 9.793 6.996 4.967 1.00 0.00 C ATOM 99 O ARG A 18 10.803 7.451 5.503 1.00 0.00 O ATOM 100 CB ARG A 18 9.469 4.501 4.922 1.00 0.00 C ATOM 101 CG ARG A 18 10.964 4.228 4.931 1.00 0.00 C ATOM 102 CD ARG A 18 11.351 2.911 4.362 1.00 0.00 C ATOM 103 NE ARG A 18 12.784 2.678 4.301 1.00 0.00 N ATOM 104 CZ ARG A 18 13.358 1.560 3.815 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.626 0.556 3.383 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.677 1.487 3.807 1.00 0.00 N ATOM 0 H ARG A 18 7.106 5.332 4.965 1.00 0.00 H new ATOM 0 HA ARG A 18 9.337 5.744 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.962 3.681 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.120 4.499 3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.468 5.015 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.326 4.287 5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.893 2.123 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.939 2.829 3.356 1.00 0.00 H new ATOM 0 HE ARG A 18 13.399 3.413 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.608 0.617 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.076 -0.283 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.233 2.265 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.139 0.653 3.445 1.00 0.00 H new ATOM 120 N TYR A 19 9.283 7.493 3.844 1.00 0.00 N ATOM 121 CA TYR A 19 9.870 8.651 3.183 1.00 0.00 C ATOM 122 C TYR A 19 9.934 9.848 4.123 1.00 0.00 C ATOM 123 O TYR A 19 10.983 10.477 4.271 1.00 0.00 O ATOM 124 CB TYR A 19 9.073 9.012 1.927 1.00 0.00 C ATOM 125 CG TYR A 19 9.494 10.316 1.286 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.678 10.408 0.569 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.706 11.452 1.400 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.069 11.596 -0.016 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.086 12.644 0.817 1.00 0.00 C ATOM 130 CZ TYR A 19 10.268 12.713 0.109 1.00 0.00 C ATOM 131 OH TYR A 19 10.650 13.899 -0.474 1.00 0.00 O ATOM 0 H TYR A 19 8.463 7.110 3.373 1.00 0.00 H new ATOM 0 HA TYR A 19 10.888 8.389 2.894 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.180 8.209 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.015 9.070 2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.305 9.535 0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.780 11.403 1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.996 11.651 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.461 13.519 0.915 1.00 0.00 H new ATOM 0 HH TYR A 19 10.756 14.585 0.218 1.00 0.00 H new ATOM 141 N LEU A 20 8.808 10.159 4.756 1.00 0.00 N ATOM 142 CA LEU A 20 8.720 11.314 5.641 1.00 0.00 C ATOM 143 C LEU A 20 9.548 11.106 6.901 1.00 0.00 C ATOM 144 O LEU A 20 10.094 12.059 7.461 1.00 0.00 O ATOM 145 CB LEU A 20 7.257 11.592 6.004 1.00 0.00 C ATOM 146 CG LEU A 20 6.376 12.075 4.843 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.922 12.150 5.287 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.865 13.432 4.362 1.00 0.00 C ATOM 0 H LEU A 20 7.942 9.626 4.672 1.00 0.00 H new ATOM 0 HA LEU A 20 9.124 12.177 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.822 10.681 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.232 12.342 6.795 1.00 0.00 H new ATOM 0 HG LEU A 20 6.444 11.367 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.305 12.494 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.587 11.162 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.831 12.848 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.239 13.773 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.810 14.150 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.897 13.347 4.022 1.00 0.00 H new ATOM 160 N GLN A 21 9.640 9.857 7.345 1.00 0.00 N ATOM 161 CA GLN A 21 10.399 9.524 8.545 1.00 0.00 C ATOM 162 C GLN A 21 11.895 9.695 8.315 1.00 0.00 C ATOM 163 O GLN A 21 12.604 10.235 9.163 1.00 0.00 O ATOM 164 CB GLN A 21 10.104 8.087 8.983 1.00 0.00 C ATOM 165 CG GLN A 21 10.798 7.673 10.269 1.00 0.00 C ATOM 166 CD GLN A 21 10.350 8.498 11.460 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.153 8.705 11.674 1.00 0.00 O ATOM 168 NE2 GLN A 21 11.311 8.979 12.241 1.00 0.00 N ATOM 0 H GLN A 21 9.198 9.058 6.891 1.00 0.00 H new ATOM 0 HA GLN A 21 10.090 10.210 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.028 7.972 9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.405 7.407 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.597 6.620 10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.876 7.774 10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.289 8.783 12.026 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.071 9.544 13.055 1.00 0.00 H new ATOM 177 N GLU A 22 12.369 9.230 7.164 1.00 0.00 N ATOM 178 CA GLU A 22 13.793 9.266 6.852 1.00 0.00 C ATOM 179 C GLU A 22 14.242 10.677 6.497 1.00 0.00 C ATOM 180 O GLU A 22 15.351 11.091 6.838 1.00 0.00 O ATOM 181 CB GLU A 22 14.113 8.307 5.703 1.00 0.00 C ATOM 182 CG GLU A 22 14.045 6.833 6.077 1.00 0.00 C ATOM 183 CD GLU A 22 14.367 5.956 4.899 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.506 6.473 3.817 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.585 4.784 5.099 1.00 0.00 O ATOM 0 H GLU A 22 11.787 8.824 6.431 1.00 0.00 H new ATOM 0 HA GLU A 22 14.338 8.948 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.417 8.494 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.112 8.529 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.745 6.628 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.048 6.595 6.449 1.00 0.00 H new ATOM 192 N GLN A 23 13.377 11.414 5.808 1.00 0.00 N ATOM 193 CA GLN A 23 13.685 12.779 5.401 1.00 0.00 C ATOM 194 C GLN A 23 13.549 13.746 6.570 1.00 0.00 C ATOM 195 O GLN A 23 14.341 14.678 6.712 1.00 0.00 O ATOM 196 CB GLN A 23 12.767 13.218 4.256 1.00 0.00 C ATOM 197 CG GLN A 23 12.987 12.462 2.957 1.00 0.00 C ATOM 198 CD GLN A 23 14.406 12.604 2.438 1.00 0.00 C ATOM 199 OE1 GLN A 23 14.954 13.708 2.386 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.007 11.486 2.048 1.00 0.00 N ATOM 0 H GLN A 23 12.455 11.087 5.519 1.00 0.00 H new ATOM 0 HA GLN A 23 14.719 12.796 5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.730 13.090 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.916 14.282 4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.764 11.406 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.289 12.828 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.515 10.595 2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.961 11.519 1.688 1.00 0.00 H new ATOM 209 N ASN A 24 12.539 13.520 7.403 1.00 0.00 N ATOM 210 CA ASN A 24 12.298 14.371 8.563 1.00 0.00 C ATOM 211 C ASN A 24 12.041 15.813 8.144 1.00 0.00 C ATOM 212 O ASN A 24 12.444 16.751 8.832 1.00 0.00 O ATOM 213 CB ASN A 24 13.451 14.308 9.547 1.00 0.00 C ATOM 214 CG ASN A 24 13.085 14.749 10.937 1.00 0.00 C ATOM 215 OD1 ASN A 24 11.934 14.620 11.368 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.037 15.343 11.610 1.00 0.00 N ATOM 0 H ASN A 24 11.874 12.754 7.297 1.00 0.00 H new ATOM 0 HA ASN A 24 11.405 13.992 9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.827 13.286 9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.265 14.933 9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.845 15.726 12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.971 15.423 11.209 1.00 0.00 H new ATOM 223 N ARG A 25 11.369 15.984 7.011 1.00 0.00 N ATOM 224 CA ARG A 25 11.077 17.312 6.484 1.00 0.00 C ATOM 225 C ARG A 25 9.650 17.396 5.959 1.00 0.00 C ATOM 226 O ARG A 25 9.085 16.399 5.508 1.00 0.00 O ATOM 227 CB ARG A 25 12.086 17.747 5.432 1.00 0.00 C ATOM 228 CG ARG A 25 13.510 17.910 5.939 1.00 0.00 C ATOM 229 CD ARG A 25 13.707 19.068 6.849 1.00 0.00 C ATOM 230 NE ARG A 25 15.090 19.310 7.226 1.00 0.00 N ATOM 231 CZ ARG A 25 15.719 18.708 8.253 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.087 17.858 9.030 1.00 0.00 N ATOM 233 NH2 ARG A 25 16.986 19.014 8.474 1.00 0.00 N ATOM 0 H ARG A 25 11.015 15.217 6.439 1.00 0.00 H new ATOM 0 HA ARG A 25 11.167 18.013 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.085 17.015 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.758 18.694 5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.804 16.999 6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.177 18.017 5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.313 19.963 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.120 18.907 7.753 1.00 0.00 H new ATOM 0 HE ARG A 25 15.621 19.983 6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.104 17.645 8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.579 17.411 9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.460 19.689 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.490 18.575 9.244 1.00 0.00 H new ATOM 247 N PRO A 26 9.073 18.590 6.017 1.00 0.00 N ATOM 248 CA PRO A 26 7.727 18.818 5.503 1.00 0.00 C ATOM 249 C PRO A 26 7.710 18.797 3.980 1.00 0.00 C ATOM 250 O PRO A 26 8.546 19.425 3.331 1.00 0.00 O ATOM 251 CB PRO A 26 7.338 20.188 6.066 1.00 0.00 C ATOM 252 CG PRO A 26 8.634 20.903 6.233 1.00 0.00 C ATOM 253 CD PRO A 26 9.629 19.842 6.623 1.00 0.00 C ATOM 0 HA PRO A 26 7.023 18.042 5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.674 20.723 5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.812 20.092 7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.931 21.399 5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.561 21.674 7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.624 20.065 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.719 19.757 7.706 1.00 0.00 H new ATOM 261 N TYR A 27 6.752 18.071 3.414 1.00 0.00 N ATOM 262 CA TYR A 27 6.570 18.035 1.968 1.00 0.00 C ATOM 263 C TYR A 27 5.104 18.210 1.593 1.00 0.00 C ATOM 264 O TYR A 27 4.217 17.655 2.239 1.00 0.00 O ATOM 265 CB TYR A 27 7.105 16.722 1.393 1.00 0.00 C ATOM 266 CG TYR A 27 8.602 16.555 1.539 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.473 17.109 0.612 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.140 15.841 2.599 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.840 16.959 0.739 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.505 15.685 2.737 1.00 0.00 C ATOM 271 CZ TYR A 27 11.353 16.246 1.803 1.00 0.00 C ATOM 272 OH TYR A 27 12.714 16.093 1.934 1.00 0.00 O ATOM 0 H TYR A 27 6.088 17.499 3.936 1.00 0.00 H new ATOM 0 HA TYR A 27 7.133 18.865 1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.606 15.889 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.844 16.666 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.075 17.667 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.479 15.399 3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.504 17.398 0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.907 15.128 3.570 1.00 0.00 H new ATOM 0 HH TYR A 27 13.169 16.870 1.547 1.00 0.00 H new ATOM 282 N SER A 28 4.856 18.986 0.543 1.00 0.00 N ATOM 283 CA SER A 28 3.499 19.213 0.061 1.00 0.00 C ATOM 284 C SER A 28 2.925 17.956 -0.579 1.00 0.00 C ATOM 285 O SER A 28 3.652 17.003 -0.861 1.00 0.00 O ATOM 286 CB SER A 28 3.480 20.363 -0.926 1.00 0.00 C ATOM 287 OG SER A 28 4.037 20.007 -2.161 1.00 0.00 O ATOM 0 H SER A 28 5.579 19.469 0.009 1.00 0.00 H new ATOM 0 HA SER A 28 2.874 19.470 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.453 20.696 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.031 21.206 -0.510 1.00 0.00 H new ATOM 0 HG SER A 28 4.004 20.775 -2.768 1.00 0.00 H new ATOM 293 N ALA A 29 1.616 17.958 -0.807 1.00 0.00 N ATOM 294 CA ALA A 29 0.961 16.873 -1.530 1.00 0.00 C ATOM 295 C ALA A 29 1.614 16.644 -2.887 1.00 0.00 C ATOM 296 O ALA A 29 1.706 15.511 -3.359 1.00 0.00 O ATOM 297 CB ALA A 29 -0.523 17.167 -1.694 1.00 0.00 C ATOM 0 H ALA A 29 0.986 18.700 -0.501 1.00 0.00 H new ATOM 0 HA ALA A 29 1.074 15.960 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.998 16.349 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.984 17.269 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.651 18.094 -2.253 1.00 0.00 H new ATOM 303 N GLN A 30 2.066 17.727 -3.512 1.00 0.00 N ATOM 304 CA GLN A 30 2.723 17.644 -4.810 1.00 0.00 C ATOM 305 C GLN A 30 4.163 17.168 -4.668 1.00 0.00 C ATOM 306 O GLN A 30 4.666 16.424 -5.510 1.00 0.00 O ATOM 307 CB GLN A 30 2.696 19.004 -5.513 1.00 0.00 C ATOM 308 CG GLN A 30 1.311 19.451 -5.950 1.00 0.00 C ATOM 309 CD GLN A 30 1.324 20.821 -6.600 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.363 21.485 -6.662 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.167 21.255 -7.086 1.00 0.00 N ATOM 0 H GLN A 30 1.989 18.673 -3.139 1.00 0.00 H new ATOM 0 HA GLN A 30 2.176 16.918 -5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.114 19.755 -4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.345 18.961 -6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.902 18.723 -6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.648 19.469 -5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.667 20.673 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.113 22.171 -7.532 1.00 0.00 H new ATOM 320 N ASP A 31 4.822 17.601 -3.599 1.00 0.00 N ATOM 321 CA ASP A 31 6.186 17.171 -3.313 1.00 0.00 C ATOM 322 C ASP A 31 6.261 15.660 -3.139 1.00 0.00 C ATOM 323 O ASP A 31 7.101 14.996 -3.746 1.00 0.00 O ATOM 324 CB ASP A 31 6.718 17.873 -2.061 1.00 0.00 C ATOM 325 CG ASP A 31 6.986 19.361 -2.240 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.084 19.796 -3.363 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.935 20.074 -1.267 1.00 0.00 O ATOM 0 H ASP A 31 4.433 18.250 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 31 6.809 17.447 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.000 17.740 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.642 17.385 -1.750 1.00 0.00 H new ATOM 332 N VAL A 32 5.379 15.121 -2.304 1.00 0.00 N ATOM 333 CA VAL A 32 5.398 13.699 -1.982 1.00 0.00 C ATOM 334 C VAL A 32 5.100 12.851 -3.212 1.00 0.00 C ATOM 335 O VAL A 32 5.793 11.871 -3.485 1.00 0.00 O ATOM 336 CB VAL A 32 4.384 13.356 -0.875 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.287 11.849 -0.689 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.773 14.029 0.433 1.00 0.00 C ATOM 0 H VAL A 32 4.641 15.648 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 32 6.402 13.472 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 32 3.406 13.730 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.566 11.625 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.962 11.387 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.263 11.453 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.045 13.775 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.761 13.685 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.792 15.110 0.294 1.00 0.00 H new ATOM 348 N PHE A 33 4.064 13.234 -3.950 1.00 0.00 N ATOM 349 CA PHE A 33 3.698 12.536 -5.177 1.00 0.00 C ATOM 350 C PHE A 33 4.834 12.574 -6.192 1.00 0.00 C ATOM 351 O PHE A 33 5.305 11.533 -6.651 1.00 0.00 O ATOM 352 CB PHE A 33 2.432 13.145 -5.781 1.00 0.00 C ATOM 353 CG PHE A 33 2.166 12.712 -7.195 1.00 0.00 C ATOM 354 CD1 PHE A 33 1.970 11.373 -7.501 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.113 13.642 -8.222 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.725 10.974 -8.801 1.00 0.00 C ATOM 357 CE2 PHE A 33 1.868 13.246 -9.522 1.00 0.00 C ATOM 358 CZ PHE A 33 1.675 11.910 -9.811 1.00 0.00 C ATOM 0 H PHE A 33 3.462 14.025 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 33 3.503 11.494 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.578 12.873 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.514 14.232 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.009 10.634 -6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.265 14.688 -8.003 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.573 9.929 -9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.827 13.981 -10.312 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.485 11.599 -10.828 1.00 0.00 H new ATOM 368 N GLY A 34 5.270 13.780 -6.538 1.00 0.00 N ATOM 369 CA GLY A 34 6.268 13.962 -7.586 1.00 0.00 C ATOM 370 C GLY A 34 7.538 13.179 -7.279 1.00 0.00 C ATOM 371 O GLY A 34 8.118 12.549 -8.162 1.00 0.00 O ATOM 0 H GLY A 34 4.948 14.647 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.859 13.636 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.506 15.021 -7.686 1.00 0.00 H new ATOM 375 N ASN A 35 7.966 13.225 -6.021 1.00 0.00 N ATOM 376 CA ASN A 35 9.212 12.588 -5.613 1.00 0.00 C ATOM 377 C ASN A 35 9.093 11.070 -5.648 1.00 0.00 C ATOM 378 O ASN A 35 10.002 10.376 -6.102 1.00 0.00 O ATOM 379 CB ASN A 35 9.645 13.050 -4.234 1.00 0.00 C ATOM 380 CG ASN A 35 10.174 14.457 -4.204 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.581 15.010 -5.232 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.245 15.008 -3.020 1.00 0.00 N ATOM 0 H ASN A 35 7.467 13.697 -5.267 1.00 0.00 H new ATOM 0 HA ASN A 35 9.977 12.889 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.797 12.976 -3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.414 12.374 -3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.651 15.938 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.894 14.508 -2.203 1.00 0.00 H new ATOM 389 N LEU A 36 7.966 10.560 -5.164 1.00 0.00 N ATOM 390 CA LEU A 36 7.749 9.120 -5.085 1.00 0.00 C ATOM 391 C LEU A 36 7.232 8.566 -6.406 1.00 0.00 C ATOM 392 O LEU A 36 7.178 7.353 -6.604 1.00 0.00 O ATOM 393 CB LEU A 36 6.769 8.793 -3.949 1.00 0.00 C ATOM 394 CG LEU A 36 7.240 9.196 -2.546 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.166 8.859 -1.520 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.542 8.481 -2.220 1.00 0.00 C ATOM 0 H LEU A 36 7.188 11.123 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 36 8.707 8.645 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.821 9.290 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.574 7.721 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 36 7.416 10.271 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.508 9.148 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.251 9.400 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.969 7.787 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.875 8.769 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.383 7.403 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.302 8.758 -2.950 1.00 0.00 H new ATOM 408 N GLN A 37 6.851 9.465 -7.308 1.00 0.00 N ATOM 409 CA GLN A 37 6.474 9.077 -8.663 1.00 0.00 C ATOM 410 C GLN A 37 7.682 8.598 -9.455 1.00 0.00 C ATOM 411 O GLN A 37 7.593 7.641 -10.226 1.00 0.00 O ATOM 412 CB GLN A 37 5.810 10.249 -9.391 1.00 0.00 C ATOM 413 CG GLN A 37 5.349 9.925 -10.801 1.00 0.00 C ATOM 414 CD GLN A 37 4.771 11.134 -11.514 1.00 0.00 C ATOM 415 OE1 GLN A 37 4.871 12.264 -11.028 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.160 10.903 -12.668 1.00 0.00 N ATOM 0 H GLN A 37 6.795 10.467 -7.125 1.00 0.00 H new ATOM 0 HA GLN A 37 5.764 8.254 -8.586 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.952 10.585 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.513 11.081 -9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.190 9.536 -11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.598 9.136 -10.762 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.101 9.952 -13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.749 11.676 -13.191 1.00 0.00 H new ATOM 425 N LYS A 38 8.814 9.268 -9.263 1.00 0.00 N ATOM 426 CA LYS A 38 10.028 8.949 -10.004 1.00 0.00 C ATOM 427 C LYS A 38 10.794 7.811 -9.342 1.00 0.00 C ATOM 428 O LYS A 38 11.493 7.049 -10.011 1.00 0.00 O ATOM 429 CB LYS A 38 10.922 10.184 -10.124 1.00 0.00 C ATOM 430 CG LYS A 38 10.317 11.322 -10.937 1.00 0.00 C ATOM 431 CD LYS A 38 11.262 12.512 -11.012 1.00 0.00 C ATOM 432 CE LYS A 38 10.648 13.658 -11.803 1.00 0.00 C ATOM 433 NZ LYS A 38 11.558 14.833 -11.876 1.00 0.00 N ATOM 0 H LYS A 38 8.915 10.036 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 38 9.734 8.626 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.151 10.550 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.867 9.890 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.090 10.972 -11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.374 11.632 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.503 12.851 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.199 12.206 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.413 13.318 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.707 13.956 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.103 15.591 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.762 15.174 -10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.446 14.556 -12.341 1.00 0.00 H new ATOM 447 N GLU A 39 10.659 7.701 -8.025 1.00 0.00 N ATOM 448 CA GLU A 39 11.434 6.736 -7.254 1.00 0.00 C ATOM 449 C GLU A 39 10.727 5.388 -7.187 1.00 0.00 C ATOM 450 O GLU A 39 11.346 4.341 -7.374 1.00 0.00 O ATOM 451 CB GLU A 39 11.693 7.264 -5.841 1.00 0.00 C ATOM 452 CG GLU A 39 12.624 8.467 -5.780 1.00 0.00 C ATOM 453 CD GLU A 39 12.820 8.935 -4.365 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.243 8.349 -3.481 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.632 9.804 -4.156 1.00 0.00 O ATOM 0 H GLU A 39 10.020 8.269 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 39 12.389 6.595 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.740 7.534 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.117 6.461 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.588 8.206 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.213 9.279 -6.380 1.00 0.00 H new ATOM 462 N HIS A 40 9.426 5.421 -6.921 1.00 0.00 N ATOM 463 CA HIS A 40 8.662 4.203 -6.675 1.00 0.00 C ATOM 464 C HIS A 40 7.617 3.980 -7.760 1.00 0.00 C ATOM 465 O HIS A 40 7.333 2.844 -8.137 1.00 0.00 O ATOM 466 CB HIS A 40 7.988 4.255 -5.300 1.00 0.00 C ATOM 467 CG HIS A 40 8.954 4.292 -4.157 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.522 5.464 -3.701 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.454 3.304 -3.379 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.329 5.193 -2.690 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.305 3.890 -2.475 1.00 0.00 N ATOM 0 H HIS A 40 8.877 6.279 -6.870 1.00 0.00 H new ATOM 0 HA HIS A 40 9.360 3.366 -6.694 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.348 5.136 -5.252 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.341 3.385 -5.189 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.226 2.251 -3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.909 5.914 -2.134 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.833 3.399 -1.754 1.00 0.00 H new ATOM 479 N GLY A 41 7.048 5.072 -8.259 1.00 0.00 N ATOM 480 CA GLY A 41 6.068 5.002 -9.336 1.00 0.00 C ATOM 481 C GLY A 41 4.647 4.981 -8.788 1.00 0.00 C ATOM 482 O GLY A 41 3.754 4.365 -9.371 1.00 0.00 O ATOM 0 H GLY A 41 7.249 6.018 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.192 5.858 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.243 4.107 -9.933 1.00 0.00 H new ATOM 486 N LEU A 42 4.442 5.657 -7.663 1.00 0.00 N ATOM 487 CA LEU A 42 3.126 5.728 -7.040 1.00 0.00 C ATOM 488 C LEU A 42 2.200 6.658 -7.813 1.00 0.00 C ATOM 489 O LEU A 42 2.634 7.681 -8.343 1.00 0.00 O ATOM 490 CB LEU A 42 3.253 6.191 -5.584 1.00 0.00 C ATOM 491 CG LEU A 42 4.028 5.241 -4.662 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.144 5.844 -3.268 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.322 3.894 -4.609 1.00 0.00 C ATOM 0 H LEU A 42 5.172 6.164 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 42 2.689 4.729 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.743 7.165 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.252 6.332 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 42 5.034 5.095 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.696 5.162 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.672 6.796 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.147 6.006 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.873 3.220 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.311 4.028 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.275 3.468 -5.611 1.00 0.00 H new ATOM 505 N GLY A 43 0.923 6.299 -7.874 1.00 0.00 N ATOM 506 CA GLY A 43 -0.065 7.097 -8.589 1.00 0.00 C ATOM 507 C GLY A 43 -0.493 8.308 -7.770 1.00 0.00 C ATOM 508 O GLY A 43 -0.269 8.360 -6.560 1.00 0.00 O ATOM 0 H GLY A 43 0.547 5.458 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.351 7.427 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.936 6.483 -8.817 1.00 0.00 H new ATOM 512 N LYS A 44 -1.109 9.278 -8.435 1.00 0.00 N ATOM 513 CA LYS A 44 -1.521 10.514 -7.780 1.00 0.00 C ATOM 514 C LYS A 44 -2.592 10.250 -6.730 1.00 0.00 C ATOM 515 O LYS A 44 -2.485 10.707 -5.591 1.00 0.00 O ATOM 516 CB LYS A 44 -2.032 11.522 -8.811 1.00 0.00 C ATOM 517 CG LYS A 44 -2.397 12.883 -8.232 1.00 0.00 C ATOM 518 CD LYS A 44 -2.766 13.869 -9.331 1.00 0.00 C ATOM 519 CE LYS A 44 -3.153 15.223 -8.752 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.539 16.192 -9.814 1.00 0.00 N ATOM 0 H LYS A 44 -1.335 9.233 -9.429 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.648 10.933 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.268 11.659 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.909 11.104 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.233 12.775 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.557 13.273 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.924 13.990 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.595 13.471 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.983 15.097 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.317 15.625 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.795 17.101 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.739 16.333 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.353 15.820 -10.344 1.00 0.00 H new ATOM 534 N ALA A 45 -3.625 9.510 -7.118 1.00 0.00 N ATOM 535 CA ALA A 45 -4.694 9.143 -6.198 1.00 0.00 C ATOM 536 C ALA A 45 -4.172 8.259 -5.072 1.00 0.00 C ATOM 537 O ALA A 45 -4.615 8.368 -3.929 1.00 0.00 O ATOM 538 CB ALA A 45 -5.821 8.446 -6.945 1.00 0.00 C ATOM 0 H ALA A 45 -3.744 9.152 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.084 10.058 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.611 8.178 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.222 9.116 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.438 7.544 -7.422 1.00 0.00 H new ATOM 544 N ALA A 46 -3.229 7.384 -5.403 1.00 0.00 N ATOM 545 CA ALA A 46 -2.634 6.489 -4.418 1.00 0.00 C ATOM 546 C ALA A 46 -1.912 7.272 -3.329 1.00 0.00 C ATOM 547 O ALA A 46 -2.058 6.982 -2.142 1.00 0.00 O ATOM 548 CB ALA A 46 -1.682 5.514 -5.095 1.00 0.00 C ATOM 0 H ALA A 46 -2.860 7.275 -6.348 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.437 5.923 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.246 4.852 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.229 4.921 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.888 6.069 -5.596 1.00 0.00 H new ATOM 554 N VAL A 47 -1.131 8.265 -3.739 1.00 0.00 N ATOM 555 CA VAL A 47 -0.365 9.076 -2.801 1.00 0.00 C ATOM 556 C VAL A 47 -1.279 9.951 -1.954 1.00 0.00 C ATOM 557 O VAL A 47 -1.139 10.011 -0.733 1.00 0.00 O ATOM 558 CB VAL A 47 0.656 9.971 -3.529 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.257 10.986 -2.568 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.751 9.125 -4.162 1.00 0.00 C ATOM 0 H VAL A 47 -1.012 8.528 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 47 0.171 8.383 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 47 0.136 10.511 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.976 11.609 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.465 11.614 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.761 10.463 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.463 9.774 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.267 8.558 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.308 8.436 -4.881 1.00 0.00 H new ATOM 570 N VAL A 48 -2.215 10.629 -2.609 1.00 0.00 N ATOM 571 CA VAL A 48 -3.107 11.560 -1.927 1.00 0.00 C ATOM 572 C VAL A 48 -3.981 10.839 -0.910 1.00 0.00 C ATOM 573 O VAL A 48 -4.151 11.305 0.217 1.00 0.00 O ATOM 574 CB VAL A 48 -4.008 12.312 -2.925 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.086 13.091 -2.185 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.179 13.245 -3.793 1.00 0.00 C ATOM 0 H VAL A 48 -2.376 10.551 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.474 12.281 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.492 11.580 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.714 13.617 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.699 12.402 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.618 13.813 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.832 13.768 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.668 13.971 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.442 12.666 -4.349 1.00 0.00 H new ATOM 586 N LYS A 49 -4.535 9.701 -1.314 1.00 0.00 N ATOM 587 CA LYS A 49 -5.371 8.899 -0.428 1.00 0.00 C ATOM 588 C LYS A 49 -4.556 8.316 0.719 1.00 0.00 C ATOM 589 O LYS A 49 -5.027 8.244 1.855 1.00 0.00 O ATOM 590 CB LYS A 49 -6.057 7.778 -1.208 1.00 0.00 C ATOM 591 CG LYS A 49 -7.158 8.250 -2.149 1.00 0.00 C ATOM 592 CD LYS A 49 -7.778 7.083 -2.905 1.00 0.00 C ATOM 593 CE LYS A 49 -8.853 7.557 -3.871 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.485 6.424 -4.600 1.00 0.00 N ATOM 0 H LYS A 49 -4.420 9.313 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.133 9.554 -0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.305 7.242 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.481 7.066 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.929 8.768 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.749 8.970 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.002 6.550 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.209 6.376 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.618 8.106 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.415 8.251 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.212 6.790 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.760 5.914 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.925 5.774 -3.917 1.00 0.00 H new ATOM 608 N ALA A 50 -3.331 7.900 0.417 1.00 0.00 N ATOM 609 CA ALA A 50 -2.430 7.367 1.432 1.00 0.00 C ATOM 610 C ALA A 50 -2.033 8.441 2.436 1.00 0.00 C ATOM 611 O ALA A 50 -1.905 8.172 3.630 1.00 0.00 O ATOM 612 CB ALA A 50 -1.195 6.762 0.779 1.00 0.00 C ATOM 0 H ALA A 50 -2.939 7.922 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.959 6.583 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.532 6.368 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.495 5.954 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.672 7.529 0.208 1.00 0.00 H new ATOM 618 N LEU A 51 -1.837 9.660 1.944 1.00 0.00 N ATOM 619 CA LEU A 51 -1.502 10.788 2.803 1.00 0.00 C ATOM 620 C LEU A 51 -2.612 11.063 3.809 1.00 0.00 C ATOM 621 O LEU A 51 -2.352 11.257 4.997 1.00 0.00 O ATOM 622 CB LEU A 51 -1.229 12.037 1.956 1.00 0.00 C ATOM 623 CG LEU A 51 0.121 12.049 1.227 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.154 13.181 0.208 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.245 12.204 2.240 1.00 0.00 C ATOM 0 H LEU A 51 -1.905 9.891 0.953 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.600 10.533 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.024 12.136 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.283 12.913 2.602 1.00 0.00 H new ATOM 0 HG LEU A 51 0.255 11.107 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.116 13.181 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.645 13.039 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.014 14.134 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.204 12.212 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.118 13.140 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.220 11.371 2.942 1.00 0.00 H new ATOM 637 N ASP A 52 -3.850 11.079 3.327 1.00 0.00 N ATOM 638 CA ASP A 52 -5.003 11.319 4.187 1.00 0.00 C ATOM 639 C ASP A 52 -5.247 10.142 5.124 1.00 0.00 C ATOM 640 O ASP A 52 -5.664 10.324 6.268 1.00 0.00 O ATOM 641 CB ASP A 52 -6.253 11.588 3.344 1.00 0.00 C ATOM 642 CG ASP A 52 -6.284 12.960 2.684 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.524 13.807 3.086 1.00 0.00 O ATOM 644 OD2 ASP A 52 -6.949 13.102 1.685 1.00 0.00 O ATOM 0 H ASP A 52 -4.081 10.929 2.345 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.789 12.199 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.325 10.824 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.133 11.483 3.978 1.00 0.00 H new ATOM 649 N GLN A 53 -4.986 8.936 4.630 1.00 0.00 N ATOM 650 CA GLN A 53 -5.125 7.733 5.441 1.00 0.00 C ATOM 651 C GLN A 53 -4.140 7.734 6.603 1.00 0.00 C ATOM 652 O GLN A 53 -4.515 7.470 7.747 1.00 0.00 O ATOM 653 CB GLN A 53 -4.908 6.482 4.583 1.00 0.00 C ATOM 654 CG GLN A 53 -4.999 5.176 5.354 1.00 0.00 C ATOM 655 CD GLN A 53 -4.743 3.967 4.474 1.00 0.00 C ATOM 656 OE1 GLN A 53 -4.772 4.059 3.244 1.00 0.00 O ATOM 657 NE2 GLN A 53 -4.497 2.822 5.101 1.00 0.00 N ATOM 0 H GLN A 53 -4.677 8.766 3.673 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.137 7.722 5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.648 6.471 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.928 6.545 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.277 5.188 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.988 5.091 5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.483 2.792 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.322 1.973 4.563 1.00 0.00 H new ATOM 666 N LEU A 54 -2.881 8.034 6.306 1.00 0.00 N ATOM 667 CA LEU A 54 -1.839 8.062 7.325 1.00 0.00 C ATOM 668 C LEU A 54 -2.159 9.080 8.413 1.00 0.00 C ATOM 669 O LEU A 54 -2.017 8.798 9.603 1.00 0.00 O ATOM 670 CB LEU A 54 -0.480 8.374 6.686 1.00 0.00 C ATOM 671 CG LEU A 54 0.096 7.260 5.802 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.288 7.783 5.013 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.502 6.080 6.671 1.00 0.00 C ATOM 0 H LEU A 54 -2.557 8.262 5.366 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.794 7.077 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.578 9.279 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.235 8.593 7.479 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.664 6.929 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.690 6.985 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.971 8.613 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.059 8.127 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.911 5.289 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.257 6.400 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.371 5.704 7.205 1.00 0.00 H new ATOM 685 N ALA A 55 -2.590 10.267 7.997 1.00 0.00 N ATOM 686 CA ALA A 55 -2.945 11.325 8.935 1.00 0.00 C ATOM 687 C ALA A 55 -4.151 10.934 9.777 1.00 0.00 C ATOM 688 O ALA A 55 -4.232 11.271 10.959 1.00 0.00 O ATOM 689 CB ALA A 55 -3.212 12.624 8.191 1.00 0.00 C ATOM 0 H ALA A 55 -2.702 10.520 7.015 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.102 11.474 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.476 13.404 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.317 12.920 7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.035 12.480 7.491 1.00 0.00 H new ATOM 695 N GLN A 56 -5.089 10.219 9.163 1.00 0.00 N ATOM 696 CA GLN A 56 -6.264 9.725 9.873 1.00 0.00 C ATOM 697 C GLN A 56 -5.891 8.623 10.855 1.00 0.00 C ATOM 698 O GLN A 56 -6.463 8.525 11.940 1.00 0.00 O ATOM 699 CB GLN A 56 -7.307 9.203 8.882 1.00 0.00 C ATOM 700 CG GLN A 56 -8.618 8.781 9.523 1.00 0.00 C ATOM 701 CD GLN A 56 -9.324 9.935 10.209 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.436 11.031 9.654 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.804 9.695 11.425 1.00 0.00 N ATOM 0 H GLN A 56 -5.058 9.969 8.175 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.687 10.558 10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.510 9.978 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.888 8.352 8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.273 8.360 8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.426 7.992 10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.689 8.773 11.846 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.288 10.433 11.937 1.00 0.00 H new ATOM 712 N GLU A 57 -4.927 7.794 10.468 1.00 0.00 N ATOM 713 CA GLU A 57 -4.462 6.707 11.322 1.00 0.00 C ATOM 714 C GLU A 57 -3.580 7.231 12.448 1.00 0.00 C ATOM 715 O GLU A 57 -3.372 6.551 13.453 1.00 0.00 O ATOM 716 CB GLU A 57 -3.700 5.667 10.498 1.00 0.00 C ATOM 717 CG GLU A 57 -4.576 4.831 9.576 1.00 0.00 C ATOM 718 CD GLU A 57 -3.747 3.933 8.700 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.545 3.990 8.793 1.00 0.00 O ATOM 720 OE2 GLU A 57 -4.315 3.113 8.019 1.00 0.00 O ATOM 0 H GLU A 57 -4.452 7.854 9.567 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.338 6.234 11.766 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.946 6.177 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.169 5.001 11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.263 4.229 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.184 5.488 8.954 1.00 0.00 H new ATOM 727 N GLY A 58 -3.065 8.442 12.273 1.00 0.00 N ATOM 728 CA GLY A 58 -2.287 9.102 13.316 1.00 0.00 C ATOM 729 C GLY A 58 -0.800 8.811 13.163 1.00 0.00 C ATOM 730 O GLY A 58 -0.040 8.888 14.128 1.00 0.00 O ATOM 0 H GLY A 58 -3.172 8.988 11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.456 10.178 13.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.627 8.765 14.295 1.00 0.00 H new ATOM 734 N LYS A 59 -0.391 8.476 11.944 1.00 0.00 N ATOM 735 CA LYS A 59 0.998 8.126 11.671 1.00 0.00 C ATOM 736 C LYS A 59 1.792 9.342 11.210 1.00 0.00 C ATOM 737 O LYS A 59 2.985 9.457 11.489 1.00 0.00 O ATOM 738 CB LYS A 59 1.074 7.017 10.620 1.00 0.00 C ATOM 739 CG LYS A 59 0.543 5.669 11.088 1.00 0.00 C ATOM 740 CD LYS A 59 0.468 4.675 9.939 1.00 0.00 C ATOM 741 CE LYS A 59 0.101 3.284 10.433 1.00 0.00 C ATOM 742 NZ LYS A 59 -0.288 2.381 9.316 1.00 0.00 N ATOM 0 H LYS A 59 -1.003 8.439 11.128 1.00 0.00 H new ATOM 0 HA LYS A 59 1.440 7.764 12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.513 7.329 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.112 6.897 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.189 5.274 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.447 5.798 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.271 5.012 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.428 4.639 9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.948 2.854 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.722 3.357 11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.465 1.426 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.152 2.742 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.480 2.344 8.616 1.00 0.00 H new ATOM 756 N ILE A 60 1.124 10.244 10.501 1.00 0.00 N ATOM 757 CA ILE A 60 1.726 11.515 10.114 1.00 0.00 C ATOM 758 C ILE A 60 0.831 12.687 10.495 1.00 0.00 C ATOM 759 O ILE A 60 -0.348 12.508 10.799 1.00 0.00 O ATOM 760 CB ILE A 60 2.011 11.567 8.602 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.702 11.508 7.810 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.936 10.430 8.196 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.881 11.698 6.321 1.00 0.00 C ATOM 0 H ILE A 60 0.163 10.119 10.182 1.00 0.00 H new ATOM 0 HA ILE A 60 2.669 11.594 10.654 1.00 0.00 H new ATOM 0 HB ILE A 60 2.508 12.510 8.374 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.223 10.545 7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.026 12.276 8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.127 10.482 7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.878 10.517 8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.466 9.476 8.435 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.090 11.643 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.331 12.672 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.531 10.915 5.930 1.00 0.00 H new ATOM 775 N LYS A 61 1.399 13.889 10.475 1.00 0.00 N ATOM 776 CA LYS A 61 0.628 15.104 10.703 1.00 0.00 C ATOM 777 C LYS A 61 0.394 15.860 9.401 1.00 0.00 C ATOM 778 O LYS A 61 1.094 15.643 8.412 1.00 0.00 O ATOM 779 CB LYS A 61 1.336 16.007 11.714 1.00 0.00 C ATOM 780 CG LYS A 61 1.437 15.421 13.117 1.00 0.00 C ATOM 781 CD LYS A 61 2.103 16.395 14.077 1.00 0.00 C ATOM 782 CE LYS A 61 2.093 15.863 15.502 1.00 0.00 C ATOM 783 NZ LYS A 61 2.822 16.763 16.437 1.00 0.00 N ATOM 0 H LYS A 61 2.392 14.046 10.303 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.341 14.812 11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.341 16.222 11.350 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.806 16.958 11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.441 15.172 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.006 14.492 13.085 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.131 16.574 13.761 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.586 17.354 14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.063 15.747 15.839 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.548 14.873 15.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.792 16.364 17.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.812 16.853 16.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.373 17.701 16.437 1.00 0.00 H new ATOM 797 N GLU A 62 -0.595 16.748 9.407 1.00 0.00 N ATOM 798 CA GLU A 62 -0.968 17.486 8.207 1.00 0.00 C ATOM 799 C GLU A 62 -1.292 18.938 8.531 1.00 0.00 C ATOM 800 O GLU A 62 -1.752 19.251 9.629 1.00 0.00 O ATOM 801 CB GLU A 62 -2.163 16.821 7.520 1.00 0.00 C ATOM 802 CG GLU A 62 -3.455 16.863 8.325 1.00 0.00 C ATOM 803 CD GLU A 62 -4.577 16.180 7.595 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.340 15.666 6.528 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.644 16.072 8.152 1.00 0.00 O ATOM 0 H GLU A 62 -1.153 16.974 10.231 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.115 17.471 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.332 17.308 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.913 15.781 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.300 16.381 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.727 17.899 8.526 1.00 0.00 H new ATOM 915 N LYS A 69 -1.920 21.487 0.545 1.00 0.00 N ATOM 916 CA LYS A 69 -1.737 20.754 1.792 1.00 0.00 C ATOM 917 C LYS A 69 -0.295 20.291 1.954 1.00 0.00 C ATOM 918 O LYS A 69 0.368 19.940 0.977 1.00 0.00 O ATOM 919 CB LYS A 69 -2.683 19.553 1.851 1.00 0.00 C ATOM 920 CG LYS A 69 -4.158 19.919 1.956 1.00 0.00 C ATOM 921 CD LYS A 69 -5.026 18.680 2.113 1.00 0.00 C ATOM 922 CE LYS A 69 -6.496 19.047 2.263 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.348 17.849 2.486 1.00 0.00 N ATOM 0 HA LYS A 69 -1.972 21.432 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.535 18.945 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.413 18.935 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.310 20.582 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.463 20.468 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.898 18.032 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.700 18.114 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.614 19.737 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.833 19.570 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.341 18.142 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.256 17.202 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.044 17.364 3.354 1.00 0.00 H new ATOM 937 N ILE A 70 0.187 20.294 3.192 1.00 0.00 N ATOM 938 CA ILE A 70 1.536 19.825 3.490 1.00 0.00 C ATOM 939 C ILE A 70 1.515 18.726 4.545 1.00 0.00 C ATOM 940 O ILE A 70 0.833 18.840 5.562 1.00 0.00 O ATOM 941 CB ILE A 70 2.438 20.974 3.977 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.601 22.026 2.877 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.794 20.438 4.411 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.364 23.255 3.317 1.00 0.00 C ATOM 0 H ILE A 70 -0.336 20.616 4.006 1.00 0.00 H new ATOM 0 HA ILE A 70 1.943 19.425 2.561 1.00 0.00 H new ATOM 0 HB ILE A 70 1.965 21.446 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.116 21.575 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.614 22.328 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.419 21.263 4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.660 19.724 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.276 19.942 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.439 23.954 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.840 23.732 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.364 22.966 3.639 1.00 0.00 H new ATOM 956 N TYR A 71 2.269 17.660 4.295 1.00 0.00 N ATOM 957 CA TYR A 71 2.288 16.509 5.189 1.00 0.00 C ATOM 958 C TYR A 71 3.692 16.247 5.719 1.00 0.00 C ATOM 959 O TYR A 71 4.682 16.495 5.032 1.00 0.00 O ATOM 960 CB TYR A 71 1.757 15.265 4.472 1.00 0.00 C ATOM 961 CG TYR A 71 0.339 15.409 3.966 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.074 16.029 2.754 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.732 14.922 4.701 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.218 16.164 2.286 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.029 15.049 4.243 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.268 15.672 3.034 1.00 0.00 C ATOM 967 OH TYR A 71 -3.559 15.800 2.574 1.00 0.00 O ATOM 0 H TYR A 71 2.875 17.570 3.480 1.00 0.00 H new ATOM 0 HA TYR A 71 1.640 16.734 6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.411 15.035 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.805 14.416 5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.894 16.413 2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.549 14.435 5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.406 16.651 1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.851 14.663 4.827 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.087 15.027 2.862 1.00 0.00 H new ATOM 977 N PHE A 72 3.770 15.743 6.946 1.00 0.00 N ATOM 978 CA PHE A 72 5.052 15.417 7.561 1.00 0.00 C ATOM 979 C PHE A 72 4.878 14.434 8.711 1.00 0.00 C ATOM 980 O PHE A 72 3.860 14.447 9.402 1.00 0.00 O ATOM 981 CB PHE A 72 5.747 16.687 8.054 1.00 0.00 C ATOM 982 CG PHE A 72 4.967 17.438 9.096 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.001 18.363 8.728 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.199 17.221 10.446 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.285 19.054 9.685 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.482 17.911 11.406 1.00 0.00 C ATOM 987 CZ PHE A 72 3.525 18.827 11.026 1.00 0.00 C ATOM 0 H PHE A 72 2.960 15.551 7.535 1.00 0.00 H new ATOM 0 HA PHE A 72 5.675 14.944 6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.721 16.421 8.464 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.927 17.345 7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.807 18.545 7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.948 16.505 10.751 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.537 19.773 9.385 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.672 17.732 12.454 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.964 19.366 11.775 1.00 0.00 H new ATOM 997 N ALA A 73 5.877 13.582 8.911 1.00 0.00 N ATOM 998 CA ALA A 73 5.849 12.609 9.996 1.00 0.00 C ATOM 999 C ALA A 73 6.331 13.226 11.302 1.00 0.00 C ATOM 1000 O ALA A 73 7.222 14.074 11.308 1.00 0.00 O ATOM 1001 CB ALA A 73 6.691 11.392 9.638 1.00 0.00 C ATOM 0 H ALA A 73 6.718 13.546 8.335 1.00 0.00 H new ATOM 0 HA ALA A 73 4.816 12.291 10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.660 10.674 10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.295 10.928 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.722 11.701 9.465 1.00 0.00 H new