USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=4 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 19 TYR OH : rot -126:sc= 1.4 USER MOD Set 1.2: A 35 ASN : amide:sc= 0.637 K(o=2,f=-0.35) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.16) USER MOD Single : A 24 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.2) USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.578 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.216 K(o=-0.22,f=-1) 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= -0.0687 X(o=-0.069,f=-0.23) USER MOD Single : A 56 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 146:sc= 0.805 USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.309 2.390 -0.503 1.00 0.00 N ATOM 9 CA ALA A 12 1.711 3.787 -0.619 1.00 0.00 C ATOM 10 C ALA A 12 1.875 4.428 0.753 1.00 0.00 C ATOM 11 O ALA A 12 2.821 5.179 0.988 1.00 0.00 O ATOM 12 CB ALA A 12 0.701 4.561 -1.452 1.00 0.00 C ATOM 0 HA ALA A 12 2.678 3.820 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.015 5.602 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.641 4.125 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.278 4.512 -0.975 1.00 0.00 H new ATOM 18 N PRO A 13 0.947 4.129 1.656 1.00 0.00 N ATOM 19 CA PRO A 13 1.003 4.653 3.015 1.00 0.00 C ATOM 20 C PRO A 13 2.322 4.299 3.689 1.00 0.00 C ATOM 21 O PRO A 13 2.906 5.115 4.402 1.00 0.00 O ATOM 22 CB PRO A 13 -0.196 4.006 3.716 1.00 0.00 C ATOM 23 CG PRO A 13 -1.155 3.711 2.614 1.00 0.00 C ATOM 24 CD PRO A 13 -0.304 3.290 1.445 1.00 0.00 C ATOM 0 HA PRO A 13 0.955 5.741 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.095 3.098 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.634 4.677 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.850 2.921 2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.753 4.588 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.088 2.222 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.785 3.505 0.491 1.00 0.00 H new ATOM 32 N GLY A 14 2.787 3.075 3.461 1.00 0.00 N ATOM 33 CA GLY A 14 4.032 2.604 4.056 1.00 0.00 C ATOM 34 C GLY A 14 5.235 3.301 3.436 1.00 0.00 C ATOM 35 O GLY A 14 6.188 3.653 4.132 1.00 0.00 O ATOM 0 H GLY A 14 2.319 2.390 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.017 2.786 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.120 1.527 3.916 1.00 0.00 H new ATOM 39 N ILE A 15 5.188 3.498 2.123 1.00 0.00 N ATOM 40 CA ILE A 15 6.258 4.187 1.412 1.00 0.00 C ATOM 41 C ILE A 15 6.367 5.640 1.855 1.00 0.00 C ATOM 42 O ILE A 15 7.462 6.138 2.118 1.00 0.00 O ATOM 43 CB ILE A 15 6.046 4.139 -0.112 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.222 2.710 -0.631 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.009 5.085 -0.814 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.746 2.513 -2.052 1.00 0.00 C ATOM 0 H ILE A 15 4.419 3.189 1.529 1.00 0.00 H new ATOM 0 HA ILE A 15 7.184 3.666 1.657 1.00 0.00 H new ATOM 0 HB ILE A 15 5.028 4.462 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.276 2.439 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.679 2.027 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.845 5.038 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.838 6.103 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.035 4.792 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.904 1.476 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.684 2.751 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.306 3.169 -2.718 1.00 0.00 H new ATOM 58 N ILE A 16 5.227 6.316 1.935 1.00 0.00 N ATOM 59 CA ILE A 16 5.197 7.732 2.285 1.00 0.00 C ATOM 60 C ILE A 16 5.606 7.949 3.736 1.00 0.00 C ATOM 61 O ILE A 16 6.378 8.858 4.043 1.00 0.00 O ATOM 62 CB ILE A 16 3.802 8.341 2.058 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.477 8.388 0.562 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.723 9.732 2.668 1.00 0.00 C ATOM 65 CD1 ILE A 16 2.031 8.714 0.263 1.00 0.00 C ATOM 0 H ILE A 16 4.309 5.906 1.762 1.00 0.00 H new ATOM 0 HA ILE A 16 5.911 8.232 1.631 1.00 0.00 H new ATOM 0 HB ILE A 16 3.063 7.709 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.114 9.132 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.723 7.424 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.730 10.148 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.912 9.671 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.470 10.376 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.877 8.729 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.387 7.957 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.785 9.691 0.679 1.00 0.00 H new ATOM 77 N LEU A 17 5.085 7.110 4.625 1.00 0.00 N ATOM 78 CA LEU A 17 5.439 7.175 6.038 1.00 0.00 C ATOM 79 C LEU A 17 6.941 7.022 6.237 1.00 0.00 C ATOM 80 O LEU A 17 7.571 7.829 6.919 1.00 0.00 O ATOM 81 CB LEU A 17 4.683 6.095 6.823 1.00 0.00 C ATOM 82 CG LEU A 17 4.969 6.063 8.329 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.532 7.372 8.972 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.243 4.884 8.960 1.00 0.00 C ATOM 0 H LEU A 17 4.416 6.377 4.392 1.00 0.00 H new ATOM 0 HA LEU A 17 5.149 8.156 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.613 6.243 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.931 5.121 6.401 1.00 0.00 H new ATOM 0 HG LEU A 17 6.040 5.944 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.739 7.339 10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.080 8.199 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.463 7.516 8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.447 4.862 10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.170 4.988 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.591 3.957 8.505 1.00 0.00 H new ATOM 96 N ARG A 18 7.509 5.980 5.639 1.00 0.00 N ATOM 97 CA ARG A 18 8.940 5.724 5.742 1.00 0.00 C ATOM 98 C ARG A 18 9.746 6.818 5.053 1.00 0.00 C ATOM 99 O ARG A 18 10.850 7.154 5.485 1.00 0.00 O ATOM 100 CB ARG A 18 9.316 4.344 5.221 1.00 0.00 C ATOM 101 CG ARG A 18 8.842 3.185 6.083 1.00 0.00 C ATOM 102 CD ARG A 18 9.110 1.843 5.506 1.00 0.00 C ATOM 103 NE ARG A 18 8.638 0.733 6.317 1.00 0.00 N ATOM 104 CZ ARG A 18 8.662 -0.559 5.936 1.00 0.00 C ATOM 105 NH1 ARG A 18 9.096 -0.904 4.744 1.00 0.00 N ATOM 106 NH2 ARG A 18 8.214 -1.469 6.781 1.00 0.00 N ATOM 0 H ARG A 18 6.999 5.298 5.077 1.00 0.00 H new ATOM 0 HA ARG A 18 9.192 5.740 6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.904 4.225 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.401 4.289 5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.325 3.251 7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.770 3.288 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.642 1.784 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.184 1.735 5.354 1.00 0.00 H new ATOM 0 HE ARG A 18 8.262 0.948 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.421 -0.189 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.108 -1.887 4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.862 -1.186 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.220 -2.455 6.519 1.00 0.00 H new ATOM 120 N TYR A 19 9.190 7.371 3.981 1.00 0.00 N ATOM 121 CA TYR A 19 9.825 8.475 3.271 1.00 0.00 C ATOM 122 C TYR A 19 9.933 9.710 4.157 1.00 0.00 C ATOM 123 O TYR A 19 10.991 10.331 4.247 1.00 0.00 O ATOM 124 CB TYR A 19 9.047 8.809 1.997 1.00 0.00 C ATOM 125 CG TYR A 19 9.539 10.051 1.286 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.736 10.043 0.584 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.804 11.226 1.318 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.191 11.174 -0.066 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.249 12.363 0.671 1.00 0.00 C ATOM 130 CZ TYR A 19 10.443 12.333 -0.020 1.00 0.00 C ATOM 131 OH TYR A 19 10.889 13.462 -0.668 1.00 0.00 O ATOM 0 H TYR A 19 8.299 7.072 3.584 1.00 0.00 H new ATOM 0 HA TYR A 19 10.833 8.161 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.108 7.962 1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.995 8.939 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.322 9.137 0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.869 11.253 1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.126 11.151 -0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.665 13.271 0.706 1.00 0.00 H new ATOM 0 HH TYR A 19 10.918 14.211 -0.037 1.00 0.00 H new ATOM 141 N LEU A 20 8.829 10.061 4.810 1.00 0.00 N ATOM 142 CA LEU A 20 8.784 11.250 5.652 1.00 0.00 C ATOM 143 C LEU A 20 9.711 11.111 6.853 1.00 0.00 C ATOM 144 O LEU A 20 10.314 12.087 7.300 1.00 0.00 O ATOM 145 CB LEU A 20 7.346 11.516 6.116 1.00 0.00 C ATOM 146 CG LEU A 20 6.379 11.974 5.016 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.957 12.022 5.558 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.806 13.341 4.501 1.00 0.00 C ATOM 0 H LEU A 20 7.954 9.538 4.772 1.00 0.00 H new ATOM 0 HA LEU A 20 9.128 12.097 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.952 10.605 6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.368 12.275 6.898 1.00 0.00 H new ATOM 0 HG LEU A 20 6.405 11.264 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.278 12.348 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.665 11.030 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.909 12.723 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.119 13.666 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.790 14.060 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.815 13.277 4.094 1.00 0.00 H new ATOM 160 N GLN A 21 9.821 9.893 7.371 1.00 0.00 N ATOM 161 CA GLN A 21 10.716 9.612 8.487 1.00 0.00 C ATOM 162 C GLN A 21 12.171 9.596 8.035 1.00 0.00 C ATOM 163 O GLN A 21 13.059 10.053 8.755 1.00 0.00 O ATOM 164 CB GLN A 21 10.362 8.270 9.134 1.00 0.00 C ATOM 165 CG GLN A 21 9.060 8.280 9.915 1.00 0.00 C ATOM 166 CD GLN A 21 8.713 6.917 10.482 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.400 5.926 10.215 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.643 6.857 11.266 1.00 0.00 N ATOM 0 H GLN A 21 9.300 9.083 7.035 1.00 0.00 H new ATOM 0 HA GLN A 21 10.590 10.408 9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.300 7.509 8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.171 7.977 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.134 9.001 10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.252 8.616 9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.105 7.701 11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.359 5.966 11.675 1.00 0.00 H new ATOM 177 N GLU A 22 12.409 9.069 6.839 1.00 0.00 N ATOM 178 CA GLU A 22 13.755 9.001 6.285 1.00 0.00 C ATOM 179 C GLU A 22 14.319 10.393 6.032 1.00 0.00 C ATOM 180 O GLU A 22 15.477 10.670 6.338 1.00 0.00 O ATOM 181 CB GLU A 22 13.762 8.187 4.990 1.00 0.00 C ATOM 182 CG GLU A 22 15.136 8.025 4.356 1.00 0.00 C ATOM 183 CD GLU A 22 15.070 7.170 3.121 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.001 6.719 2.789 1.00 0.00 O ATOM 185 OE2 GLU A 22 16.067 7.061 2.446 1.00 0.00 O ATOM 0 H GLU A 22 11.685 8.682 6.234 1.00 0.00 H new ATOM 0 HA GLU A 22 14.391 8.505 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.351 7.198 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.098 8.666 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.539 9.005 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.820 7.576 5.076 1.00 0.00 H new ATOM 192 N GLN A 23 13.491 11.267 5.469 1.00 0.00 N ATOM 193 CA GLN A 23 13.917 12.620 5.133 1.00 0.00 C ATOM 194 C GLN A 23 13.822 13.544 6.340 1.00 0.00 C ATOM 195 O GLN A 23 14.625 14.464 6.494 1.00 0.00 O ATOM 196 CB GLN A 23 13.071 13.179 3.985 1.00 0.00 C ATOM 197 CG GLN A 23 13.201 12.408 2.683 1.00 0.00 C ATOM 198 CD GLN A 23 14.634 12.343 2.190 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.332 13.359 2.134 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.078 11.146 1.824 1.00 0.00 N ATOM 0 H GLN A 23 12.520 11.062 5.236 1.00 0.00 H new ATOM 0 HA GLN A 23 14.959 12.570 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.024 13.183 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.356 14.216 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.822 11.396 2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.579 12.878 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.465 10.333 1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.032 11.039 1.479 1.00 0.00 H new ATOM 209 N ASN A 24 12.834 13.294 7.194 1.00 0.00 N ATOM 210 CA ASN A 24 12.600 14.135 8.361 1.00 0.00 C ATOM 211 C ASN A 24 12.277 15.566 7.953 1.00 0.00 C ATOM 212 O ASN A 24 12.656 16.517 8.636 1.00 0.00 O ATOM 213 CB ASN A 24 13.786 14.114 9.308 1.00 0.00 C ATOM 214 CG ASN A 24 13.448 14.530 10.712 1.00 0.00 C ATOM 215 OD1 ASN A 24 12.316 14.351 11.178 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.396 15.157 11.360 1.00 0.00 N ATOM 0 H ASN A 24 12.183 12.515 7.099 1.00 0.00 H new ATOM 0 HA ASN A 24 11.738 13.723 8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.205 13.108 9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.561 14.775 8.920 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.218 15.525 12.295 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.313 15.278 10.931 1.00 0.00 H new ATOM 223 N ARG A 25 11.575 15.714 6.834 1.00 0.00 N ATOM 224 CA ARG A 25 11.241 17.031 6.307 1.00 0.00 C ATOM 225 C ARG A 25 9.805 17.074 5.799 1.00 0.00 C ATOM 226 O ARG A 25 9.269 16.066 5.340 1.00 0.00 O ATOM 227 CB ARG A 25 12.223 17.488 5.239 1.00 0.00 C ATOM 228 CG ARG A 25 13.648 17.693 5.726 1.00 0.00 C ATOM 229 CD ARG A 25 13.827 18.863 6.623 1.00 0.00 C ATOM 230 NE ARG A 25 15.207 19.142 6.985 1.00 0.00 N ATOM 231 CZ ARG A 25 15.858 18.568 8.016 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.250 17.716 8.810 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.120 18.904 8.221 1.00 0.00 N ATOM 0 H ARG A 25 11.226 14.936 6.274 1.00 0.00 H new ATOM 0 HA ARG A 25 11.324 17.737 7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.232 16.752 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.863 18.423 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.972 16.795 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.301 17.810 4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.407 19.744 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.252 18.697 7.534 1.00 0.00 H new ATOM 0 HE ARG A 25 15.718 19.819 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.271 17.480 8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.757 17.291 9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.574 19.580 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.640 18.487 8.993 1.00 0.00 H new ATOM 247 N PRO A 26 9.187 18.246 5.886 1.00 0.00 N ATOM 248 CA PRO A 26 7.827 18.433 5.396 1.00 0.00 C ATOM 249 C PRO A 26 7.788 18.461 3.874 1.00 0.00 C ATOM 250 O PRO A 26 8.654 19.058 3.233 1.00 0.00 O ATOM 251 CB PRO A 26 7.388 19.767 6.009 1.00 0.00 C ATOM 252 CG PRO A 26 8.655 20.536 6.171 1.00 0.00 C ATOM 253 CD PRO A 26 9.703 19.509 6.508 1.00 0.00 C ATOM 0 HA PRO A 26 7.161 17.617 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.686 20.290 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.888 19.619 6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.909 21.072 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.565 21.280 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.677 19.785 6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.825 19.402 7.586 1.00 0.00 H new ATOM 261 N TYR A 27 6.780 17.813 3.300 1.00 0.00 N ATOM 262 CA TYR A 27 6.572 17.843 1.858 1.00 0.00 C ATOM 263 C TYR A 27 5.107 18.087 1.518 1.00 0.00 C ATOM 264 O TYR A 27 4.211 17.554 2.172 1.00 0.00 O ATOM 265 CB TYR A 27 7.048 16.536 1.220 1.00 0.00 C ATOM 266 CG TYR A 27 8.541 16.314 1.319 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.401 16.822 0.356 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.086 15.595 2.373 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.765 16.622 0.441 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.449 15.389 2.469 1.00 0.00 C ATOM 271 CZ TYR A 27 11.285 15.905 1.499 1.00 0.00 C ATOM 272 OH TYR A 27 12.644 15.702 1.587 1.00 0.00 O ATOM 0 H TYR A 27 6.093 17.260 3.813 1.00 0.00 H new ATOM 0 HA TYR A 27 7.159 18.668 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.534 15.702 1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.758 16.529 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.997 17.383 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.433 15.189 3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.421 17.025 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.857 14.828 3.297 1.00 0.00 H new ATOM 0 HH TYR A 27 12.954 15.947 2.484 1.00 0.00 H new ATOM 282 N SER A 28 4.870 18.896 0.491 1.00 0.00 N ATOM 283 CA SER A 28 3.514 19.176 0.033 1.00 0.00 C ATOM 284 C SER A 28 2.885 17.946 -0.610 1.00 0.00 C ATOM 285 O SER A 28 3.578 16.985 -0.943 1.00 0.00 O ATOM 286 CB SER A 28 3.522 20.336 -0.943 1.00 0.00 C ATOM 287 OG SER A 28 4.054 19.974 -2.188 1.00 0.00 O ATOM 0 H SER A 28 5.600 19.370 -0.041 1.00 0.00 H new ATOM 0 HA SER A 28 2.911 19.446 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.505 20.703 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.105 21.157 -0.525 1.00 0.00 H new ATOM 0 HG SER A 28 4.040 20.749 -2.788 1.00 0.00 H new ATOM 293 N ALA A 29 1.567 17.983 -0.782 1.00 0.00 N ATOM 294 CA ALA A 29 0.858 16.928 -1.495 1.00 0.00 C ATOM 295 C ALA A 29 1.471 16.685 -2.869 1.00 0.00 C ATOM 296 O ALA A 29 1.487 15.556 -3.361 1.00 0.00 O ATOM 297 CB ALA A 29 -0.618 17.274 -1.623 1.00 0.00 C ATOM 0 H ALA A 29 0.969 18.733 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 29 0.953 16.008 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.134 16.476 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.053 17.385 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.726 18.209 -2.173 1.00 0.00 H new ATOM 303 N GLN A 30 1.973 17.749 -3.484 1.00 0.00 N ATOM 304 CA GLN A 30 2.579 17.656 -4.807 1.00 0.00 C ATOM 305 C GLN A 30 4.015 17.151 -4.720 1.00 0.00 C ATOM 306 O GLN A 30 4.464 16.379 -5.566 1.00 0.00 O ATOM 307 CB GLN A 30 2.551 19.016 -5.507 1.00 0.00 C ATOM 308 CG GLN A 30 1.159 19.490 -5.891 1.00 0.00 C ATOM 309 CD GLN A 30 1.175 20.849 -6.564 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.223 21.492 -6.670 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.011 21.296 -7.020 1.00 0.00 N ATOM 0 H GLN A 30 1.972 18.688 -3.087 1.00 0.00 H new ATOM 0 HA GLN A 30 1.996 16.942 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.008 19.758 -4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.165 18.962 -6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.702 18.761 -6.561 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.535 19.537 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.831 20.730 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.042 22.205 -7.480 1.00 0.00 H new ATOM 320 N ASP A 31 4.731 17.595 -3.692 1.00 0.00 N ATOM 321 CA ASP A 31 6.125 17.211 -3.507 1.00 0.00 C ATOM 322 C ASP A 31 6.255 15.714 -3.254 1.00 0.00 C ATOM 323 O ASP A 31 7.139 15.056 -3.802 1.00 0.00 O ATOM 324 CB ASP A 31 6.749 17.996 -2.352 1.00 0.00 C ATOM 325 CG ASP A 31 7.020 19.461 -2.660 1.00 0.00 C ATOM 326 OD1 ASP A 31 6.982 19.823 -3.813 1.00 0.00 O ATOM 327 OD2 ASP A 31 7.106 20.236 -1.737 1.00 0.00 O ATOM 0 H ASP A 31 4.368 18.222 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 31 6.661 17.449 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.087 17.936 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.687 17.518 -2.069 1.00 0.00 H new ATOM 332 N VAL A 32 5.368 15.181 -2.420 1.00 0.00 N ATOM 333 CA VAL A 32 5.397 13.765 -2.073 1.00 0.00 C ATOM 334 C VAL A 32 5.177 12.893 -3.302 1.00 0.00 C ATOM 335 O VAL A 32 5.915 11.934 -3.535 1.00 0.00 O ATOM 336 CB VAL A 32 4.333 13.421 -1.014 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.245 11.915 -0.818 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.650 14.111 0.305 1.00 0.00 C ATOM 0 H VAL A 32 4.619 15.709 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 32 6.385 13.563 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 32 3.367 13.781 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.488 11.689 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.973 11.441 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.211 11.534 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.888 13.856 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.625 13.781 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.665 15.191 0.156 1.00 0.00 H new ATOM 348 N PHE A 33 4.159 13.229 -4.085 1.00 0.00 N ATOM 349 CA PHE A 33 3.886 12.524 -5.333 1.00 0.00 C ATOM 350 C PHE A 33 5.063 12.631 -6.294 1.00 0.00 C ATOM 351 O PHE A 33 5.568 11.622 -6.787 1.00 0.00 O ATOM 352 CB PHE A 33 2.618 13.072 -5.991 1.00 0.00 C ATOM 353 CG PHE A 33 2.431 12.624 -7.412 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.075 11.316 -7.701 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.612 13.510 -8.464 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.903 10.902 -9.009 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.438 13.100 -9.772 1.00 0.00 C ATOM 358 CZ PHE A 33 2.084 11.795 -10.043 1.00 0.00 C ATOM 0 H PHE A 33 3.508 13.986 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 33 3.735 11.471 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.753 12.762 -5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.647 14.161 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.930 10.612 -6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.892 14.532 -8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.627 9.879 -9.220 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.579 13.801 -10.581 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.949 11.473 -11.065 1.00 0.00 H new ATOM 368 N GLY A 34 5.497 13.859 -6.556 1.00 0.00 N ATOM 369 CA GLY A 34 6.518 14.112 -7.566 1.00 0.00 C ATOM 370 C GLY A 34 7.771 13.288 -7.302 1.00 0.00 C ATOM 371 O GLY A 34 8.358 12.722 -8.223 1.00 0.00 O ATOM 0 H GLY A 34 5.157 14.696 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.124 13.872 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.772 15.172 -7.573 1.00 0.00 H new ATOM 375 N ASN A 35 8.174 13.222 -6.038 1.00 0.00 N ATOM 376 CA ASN A 35 9.394 12.518 -5.658 1.00 0.00 C ATOM 377 C ASN A 35 9.194 11.008 -5.702 1.00 0.00 C ATOM 378 O ASN A 35 10.062 10.272 -6.170 1.00 0.00 O ATOM 379 CB ASN A 35 9.875 12.944 -4.282 1.00 0.00 C ATOM 380 CG ASN A 35 10.435 14.338 -4.243 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.847 14.893 -5.268 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.528 14.875 -3.053 1.00 0.00 N ATOM 0 H ASN A 35 7.673 13.648 -5.258 1.00 0.00 H new ATOM 0 HA ASN A 35 10.161 12.786 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.045 12.876 -3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.639 12.245 -3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.956 15.794 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.172 14.375 -2.239 1.00 0.00 H new ATOM 389 N LEU A 36 8.046 10.554 -5.212 1.00 0.00 N ATOM 390 CA LEU A 36 7.761 9.127 -5.126 1.00 0.00 C ATOM 391 C LEU A 36 7.178 8.601 -6.431 1.00 0.00 C ATOM 392 O LEU A 36 6.915 7.406 -6.567 1.00 0.00 O ATOM 393 CB LEU A 36 6.803 8.847 -3.961 1.00 0.00 C ATOM 394 CG LEU A 36 7.328 9.239 -2.575 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.272 8.953 -1.516 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.609 8.474 -2.280 1.00 0.00 C ATOM 0 H LEU A 36 7.297 11.155 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 36 8.701 8.605 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.870 9.381 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.566 7.783 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 36 7.547 10.307 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.655 9.235 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.373 9.529 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.032 7.890 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.981 8.754 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.406 7.403 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.359 8.716 -3.033 1.00 0.00 H new ATOM 408 N GLN A 37 6.979 9.500 -7.388 1.00 0.00 N ATOM 409 CA GLN A 37 6.585 9.109 -8.737 1.00 0.00 C ATOM 410 C GLN A 37 7.743 8.458 -9.481 1.00 0.00 C ATOM 411 O GLN A 37 7.549 7.518 -10.252 1.00 0.00 O ATOM 412 CB GLN A 37 6.084 10.324 -9.522 1.00 0.00 C ATOM 413 CG GLN A 37 5.607 10.003 -10.928 1.00 0.00 C ATOM 414 CD GLN A 37 5.155 11.238 -11.683 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.240 12.359 -11.174 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.667 11.041 -12.902 1.00 0.00 N ATOM 0 H GLN A 37 7.084 10.506 -7.255 1.00 0.00 H new ATOM 0 HA GLN A 37 5.778 8.381 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.266 10.787 -8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.886 11.060 -9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.412 9.518 -11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.783 9.291 -10.875 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.615 10.097 -13.284 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.344 11.834 -13.456 1.00 0.00 H new ATOM 425 N LYS A 38 8.949 8.963 -9.246 1.00 0.00 N ATOM 426 CA LYS A 38 10.132 8.488 -9.955 1.00 0.00 C ATOM 427 C LYS A 38 10.848 7.401 -9.164 1.00 0.00 C ATOM 428 O LYS A 38 11.484 6.518 -9.739 1.00 0.00 O ATOM 429 CB LYS A 38 11.087 9.647 -10.242 1.00 0.00 C ATOM 430 CG LYS A 38 10.528 10.705 -11.183 1.00 0.00 C ATOM 431 CD LYS A 38 11.544 11.807 -11.444 1.00 0.00 C ATOM 432 CE LYS A 38 10.978 12.878 -12.365 1.00 0.00 C ATOM 433 NZ LYS A 38 11.945 13.986 -12.591 1.00 0.00 N ATOM 0 H LYS A 38 9.134 9.703 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 38 9.803 8.060 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.355 10.123 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.006 9.247 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.242 10.240 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.624 11.136 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.843 12.259 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.441 11.378 -11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.711 12.429 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.061 13.279 -11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.520 14.694 -13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.181 14.432 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.811 13.608 -13.026 1.00 0.00 H new ATOM 447 N GLU A 39 10.742 7.472 -7.842 1.00 0.00 N ATOM 448 CA GLU A 39 11.466 6.559 -6.965 1.00 0.00 C ATOM 449 C GLU A 39 10.741 5.224 -6.840 1.00 0.00 C ATOM 450 O GLU A 39 11.364 4.164 -6.871 1.00 0.00 O ATOM 451 CB GLU A 39 11.658 7.183 -5.582 1.00 0.00 C ATOM 452 CG GLU A 39 12.628 8.357 -5.550 1.00 0.00 C ATOM 453 CD GLU A 39 12.742 8.934 -4.168 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.064 8.461 -3.288 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.587 9.774 -3.964 1.00 0.00 O ATOM 0 H GLU A 39 10.161 8.153 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 39 12.444 6.376 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.690 7.518 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.014 6.414 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.610 8.029 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.291 9.129 -6.242 1.00 0.00 H new ATOM 462 N HIS A 40 9.421 5.285 -6.700 1.00 0.00 N ATOM 463 CA HIS A 40 8.624 4.094 -6.431 1.00 0.00 C ATOM 464 C HIS A 40 7.572 3.880 -7.511 1.00 0.00 C ATOM 465 O HIS A 40 7.269 2.745 -7.880 1.00 0.00 O ATOM 466 CB HIS A 40 7.952 4.192 -5.057 1.00 0.00 C ATOM 467 CG HIS A 40 8.917 4.177 -3.914 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.465 5.328 -3.386 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.434 3.151 -3.196 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.277 5.010 -2.392 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.275 3.696 -2.257 1.00 0.00 N ATOM 0 H HIS A 40 8.880 6.147 -6.768 1.00 0.00 H new ATOM 0 HA HIS A 40 9.298 3.238 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.365 5.110 -5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.255 3.362 -4.943 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.224 2.101 -3.336 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.845 5.706 -1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.812 3.171 -1.567 1.00 0.00 H new ATOM 479 N GLY A 41 7.017 4.978 -8.015 1.00 0.00 N ATOM 480 CA GLY A 41 6.057 4.916 -9.111 1.00 0.00 C ATOM 481 C GLY A 41 4.627 5.024 -8.598 1.00 0.00 C ATOM 482 O GLY A 41 3.702 4.460 -9.182 1.00 0.00 O ATOM 0 H GLY A 41 7.216 5.921 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.255 5.723 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.181 3.979 -9.654 1.00 0.00 H new ATOM 486 N LEU A 42 4.451 5.754 -7.502 1.00 0.00 N ATOM 487 CA LEU A 42 3.135 5.926 -6.898 1.00 0.00 C ATOM 488 C LEU A 42 2.281 6.897 -7.705 1.00 0.00 C ATOM 489 O LEU A 42 2.781 7.894 -8.224 1.00 0.00 O ATOM 490 CB LEU A 42 3.275 6.416 -5.451 1.00 0.00 C ATOM 491 CG LEU A 42 3.959 5.432 -4.493 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.076 6.050 -3.106 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.164 4.135 -4.441 1.00 0.00 C ATOM 0 H LEU A 42 5.205 6.237 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 42 2.634 4.958 -6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.839 7.349 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.282 6.645 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 42 4.964 5.212 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.563 5.344 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.668 6.964 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.081 6.285 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.651 3.437 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.154 4.341 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.117 3.697 -5.438 1.00 0.00 H new ATOM 505 N GLY A 43 0.991 6.598 -7.807 1.00 0.00 N ATOM 506 CA GLY A 43 0.078 7.405 -8.606 1.00 0.00 C ATOM 507 C GLY A 43 -0.465 8.581 -7.804 1.00 0.00 C ATOM 508 O GLY A 43 -0.240 8.679 -6.598 1.00 0.00 O ATOM 0 H GLY A 43 0.554 5.801 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.595 7.774 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.749 6.786 -8.954 1.00 0.00 H new ATOM 512 N LYS A 44 -1.181 9.472 -8.481 1.00 0.00 N ATOM 513 CA LYS A 44 -1.709 10.673 -7.845 1.00 0.00 C ATOM 514 C LYS A 44 -2.755 10.326 -6.793 1.00 0.00 C ATOM 515 O LYS A 44 -2.712 10.830 -5.671 1.00 0.00 O ATOM 516 CB LYS A 44 -2.308 11.614 -8.891 1.00 0.00 C ATOM 517 CG LYS A 44 -1.284 12.272 -9.807 1.00 0.00 C ATOM 518 CD LYS A 44 -1.954 13.187 -10.820 1.00 0.00 C ATOM 519 CE LYS A 44 -0.934 13.817 -11.758 1.00 0.00 C ATOM 520 NZ LYS A 44 -1.579 14.694 -12.772 1.00 0.00 N ATOM 0 H LYS A 44 -1.409 9.385 -9.471 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.881 11.178 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.017 11.055 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.873 12.393 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.574 12.845 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.714 11.504 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.682 12.620 -11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.503 13.970 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.218 14.399 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.371 13.032 -12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.850 15.103 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.243 14.134 -13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.095 15.459 -12.292 1.00 0.00 H new ATOM 534 N ALA A 45 -3.694 9.462 -7.162 1.00 0.00 N ATOM 535 CA ALA A 45 -4.731 9.016 -6.239 1.00 0.00 C ATOM 536 C ALA A 45 -4.137 8.210 -5.092 1.00 0.00 C ATOM 537 O ALA A 45 -4.584 8.315 -3.950 1.00 0.00 O ATOM 538 CB ALA A 45 -5.781 8.199 -6.977 1.00 0.00 C ATOM 0 H ALA A 45 -3.758 9.056 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.209 9.899 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.548 7.873 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.237 8.811 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.311 7.327 -7.431 1.00 0.00 H new ATOM 544 N ALA A 46 -3.126 7.404 -5.402 1.00 0.00 N ATOM 545 CA ALA A 46 -2.481 6.564 -4.400 1.00 0.00 C ATOM 546 C ALA A 46 -1.801 7.408 -3.330 1.00 0.00 C ATOM 547 O ALA A 46 -1.936 7.140 -2.135 1.00 0.00 O ATOM 548 CB ALA A 46 -1.478 5.629 -5.060 1.00 0.00 C ATOM 0 H ALA A 46 -2.736 7.315 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.251 5.965 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.004 5.008 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.993 4.992 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.717 6.216 -5.574 1.00 0.00 H new ATOM 554 N VAL A 47 -1.069 8.429 -3.763 1.00 0.00 N ATOM 555 CA VAL A 47 -0.313 9.274 -2.847 1.00 0.00 C ATOM 556 C VAL A 47 -1.240 10.129 -1.994 1.00 0.00 C ATOM 557 O VAL A 47 -1.113 10.170 -0.770 1.00 0.00 O ATOM 558 CB VAL A 47 0.665 10.192 -3.602 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.246 11.239 -2.664 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.779 9.374 -4.240 1.00 0.00 C ATOM 0 H VAL A 47 -0.983 8.691 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 47 0.256 8.605 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 47 0.116 10.704 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.935 11.879 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.440 11.845 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.780 10.744 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.461 10.039 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.325 8.836 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.349 8.660 -4.943 1.00 0.00 H new ATOM 570 N VAL A 48 -2.175 10.812 -2.647 1.00 0.00 N ATOM 571 CA VAL A 48 -3.078 11.727 -1.958 1.00 0.00 C ATOM 572 C VAL A 48 -3.947 10.988 -0.949 1.00 0.00 C ATOM 573 O VAL A 48 -4.122 11.440 0.183 1.00 0.00 O ATOM 574 CB VAL A 48 -3.986 12.479 -2.950 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.066 13.249 -2.204 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.163 13.420 -3.816 1.00 0.00 C ATOM 0 H VAL A 48 -2.327 10.749 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.453 12.449 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.469 11.748 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.698 13.774 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.674 12.554 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.600 13.971 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.820 13.943 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.654 14.146 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.425 12.846 -4.377 1.00 0.00 H new ATOM 586 N LYS A 49 -4.488 9.848 -1.365 1.00 0.00 N ATOM 587 CA LYS A 49 -5.294 9.014 -0.480 1.00 0.00 C ATOM 588 C LYS A 49 -4.469 8.499 0.692 1.00 0.00 C ATOM 589 O LYS A 49 -4.925 8.508 1.835 1.00 0.00 O ATOM 590 CB LYS A 49 -5.900 7.842 -1.253 1.00 0.00 C ATOM 591 CG LYS A 49 -6.798 6.936 -0.421 1.00 0.00 C ATOM 592 CD LYS A 49 -7.424 5.842 -1.273 1.00 0.00 C ATOM 593 CE LYS A 49 -8.293 4.917 -0.435 1.00 0.00 C ATOM 594 NZ LYS A 49 -8.895 3.828 -1.253 1.00 0.00 N ATOM 0 H LYS A 49 -4.383 9.480 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.101 9.630 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.477 8.235 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.092 7.244 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.217 6.485 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.584 7.530 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.025 6.293 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.639 5.264 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.694 4.481 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.086 5.495 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.480 3.220 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.488 4.242 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.139 3.260 -1.686 1.00 0.00 H new ATOM 608 N ALA A 50 -3.254 8.048 0.401 1.00 0.00 N ATOM 609 CA ALA A 50 -2.368 7.514 1.428 1.00 0.00 C ATOM 610 C ALA A 50 -1.972 8.592 2.429 1.00 0.00 C ATOM 611 O ALA A 50 -1.842 8.325 3.624 1.00 0.00 O ATOM 612 CB ALA A 50 -1.132 6.895 0.793 1.00 0.00 C ATOM 0 H ALA A 50 -2.860 8.042 -0.540 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.909 6.738 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.481 6.501 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.432 6.086 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.597 7.654 0.223 1.00 0.00 H new ATOM 618 N LEU A 51 -1.780 9.809 1.934 1.00 0.00 N ATOM 619 CA LEU A 51 -1.444 10.940 2.791 1.00 0.00 C ATOM 620 C LEU A 51 -2.549 11.214 3.803 1.00 0.00 C ATOM 621 O LEU A 51 -2.283 11.418 4.987 1.00 0.00 O ATOM 622 CB LEU A 51 -1.177 12.189 1.940 1.00 0.00 C ATOM 623 CG LEU A 51 0.168 12.203 1.204 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.194 13.333 0.184 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.297 12.360 2.211 1.00 0.00 C ATOM 0 H LEU A 51 -1.851 10.038 0.943 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.539 10.688 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.976 12.286 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.229 13.066 2.585 1.00 0.00 H new ATOM 0 HG LEU A 51 0.301 11.261 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.153 13.334 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.608 13.188 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.055 14.286 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.253 12.370 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.172 13.296 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.277 11.527 2.913 1.00 0.00 H new ATOM 637 N ASP A 52 -3.790 11.215 3.328 1.00 0.00 N ATOM 638 CA ASP A 52 -4.943 11.406 4.201 1.00 0.00 C ATOM 639 C ASP A 52 -5.158 10.199 5.104 1.00 0.00 C ATOM 640 O ASP A 52 -5.592 10.336 6.247 1.00 0.00 O ATOM 641 CB ASP A 52 -6.202 11.675 3.373 1.00 0.00 C ATOM 642 CG ASP A 52 -6.266 13.067 2.760 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.497 13.908 3.159 1.00 0.00 O ATOM 644 OD2 ASP A 52 -6.970 13.236 1.793 1.00 0.00 O ATOM 0 H ASP A 52 -4.023 11.086 2.343 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.743 12.271 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.261 10.936 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.077 11.530 4.007 1.00 0.00 H new ATOM 649 N GLN A 53 -4.851 9.015 4.583 1.00 0.00 N ATOM 650 CA GLN A 53 -5.020 7.780 5.338 1.00 0.00 C ATOM 651 C GLN A 53 -4.064 7.723 6.522 1.00 0.00 C ATOM 652 O GLN A 53 -4.442 7.310 7.619 1.00 0.00 O ATOM 653 CB GLN A 53 -4.795 6.564 4.434 1.00 0.00 C ATOM 654 CG GLN A 53 -5.057 5.229 5.109 1.00 0.00 C ATOM 655 CD GLN A 53 -6.502 5.074 5.545 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.429 5.379 4.789 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.703 4.603 6.771 1.00 0.00 N ATOM 0 H GLN A 53 -4.484 8.886 3.640 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.042 7.761 5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.442 6.650 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.767 6.580 4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.799 4.422 4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.406 5.130 5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.907 4.363 7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.653 4.481 7.121 1.00 0.00 H new ATOM 666 N LEU A 54 -2.823 8.139 6.295 1.00 0.00 N ATOM 667 CA LEU A 54 -1.817 8.165 7.351 1.00 0.00 C ATOM 668 C LEU A 54 -2.190 9.160 8.443 1.00 0.00 C ATOM 669 O LEU A 54 -2.018 8.887 9.630 1.00 0.00 O ATOM 670 CB LEU A 54 -0.442 8.507 6.765 1.00 0.00 C ATOM 671 CG LEU A 54 0.189 7.410 5.897 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.403 7.960 5.162 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.577 6.228 6.772 1.00 0.00 C ATOM 0 H LEU A 54 -2.489 8.463 5.388 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.773 7.173 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.535 9.413 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.238 8.735 7.585 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.535 7.073 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.844 7.174 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.097 8.789 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.138 8.311 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.025 5.450 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.296 6.553 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.311 5.833 7.265 1.00 0.00 H new ATOM 685 N ALA A 55 -2.704 10.315 8.034 1.00 0.00 N ATOM 686 CA ALA A 55 -3.187 11.316 8.976 1.00 0.00 C ATOM 687 C ALA A 55 -4.389 10.801 9.758 1.00 0.00 C ATOM 688 O ALA A 55 -4.537 11.087 10.946 1.00 0.00 O ATOM 689 CB ALA A 55 -3.537 12.605 8.248 1.00 0.00 C ATOM 0 H ALA A 55 -2.797 10.581 7.054 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.388 11.523 9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.896 13.342 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.651 12.991 7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.315 12.407 7.511 1.00 0.00 H new ATOM 695 N GLN A 56 -5.244 10.039 9.085 1.00 0.00 N ATOM 696 CA GLN A 56 -6.393 9.419 9.733 1.00 0.00 C ATOM 697 C GLN A 56 -5.954 8.361 10.738 1.00 0.00 C ATOM 698 O GLN A 56 -6.556 8.212 11.800 1.00 0.00 O ATOM 699 CB GLN A 56 -7.321 8.788 8.692 1.00 0.00 C ATOM 700 CG GLN A 56 -8.610 8.225 9.266 1.00 0.00 C ATOM 701 CD GLN A 56 -9.475 9.294 9.905 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.674 10.373 9.339 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.992 9.003 11.094 1.00 0.00 N ATOM 0 H GLN A 56 -5.162 9.836 8.089 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.933 10.201 10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.568 9.538 7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.785 7.989 8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.173 7.732 8.473 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.372 7.463 10.008 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.802 8.099 11.525 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.579 9.684 11.575 1.00 0.00 H new ATOM 712 N GLU A 57 -4.900 7.628 10.394 1.00 0.00 N ATOM 713 CA GLU A 57 -4.329 6.636 11.297 1.00 0.00 C ATOM 714 C GLU A 57 -3.651 7.302 12.488 1.00 0.00 C ATOM 715 O GLU A 57 -3.595 6.735 13.579 1.00 0.00 O ATOM 716 CB GLU A 57 -3.331 5.746 10.554 1.00 0.00 C ATOM 717 CG GLU A 57 -3.965 4.790 9.553 1.00 0.00 C ATOM 718 CD GLU A 57 -4.968 3.890 10.217 1.00 0.00 C ATOM 719 OE1 GLU A 57 -4.631 3.280 11.202 1.00 0.00 O ATOM 720 OE2 GLU A 57 -6.106 3.897 9.808 1.00 0.00 O ATOM 0 H GLU A 57 -4.424 7.703 9.495 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.145 6.017 11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.617 6.381 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.766 5.166 11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.452 5.359 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.189 4.187 9.081 1.00 0.00 H new ATOM 727 N GLY A 58 -3.137 8.508 12.272 1.00 0.00 N ATOM 728 CA GLY A 58 -2.412 9.229 13.311 1.00 0.00 C ATOM 729 C GLY A 58 -0.920 8.933 13.250 1.00 0.00 C ATOM 730 O GLY A 58 -0.225 8.982 14.264 1.00 0.00 O ATOM 0 H GLY A 58 -3.209 9.007 11.385 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.578 10.300 13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.801 8.949 14.290 1.00 0.00 H new ATOM 734 N LYS A 59 -0.432 8.625 12.053 1.00 0.00 N ATOM 735 CA LYS A 59 0.969 8.266 11.865 1.00 0.00 C ATOM 736 C LYS A 59 1.775 9.447 11.342 1.00 0.00 C ATOM 737 O LYS A 59 2.993 9.505 11.515 1.00 0.00 O ATOM 738 CB LYS A 59 1.094 7.079 10.908 1.00 0.00 C ATOM 739 CG LYS A 59 0.426 5.802 11.400 1.00 0.00 C ATOM 740 CD LYS A 59 0.611 4.664 10.407 1.00 0.00 C ATOM 741 CE LYS A 59 -0.047 3.384 10.902 1.00 0.00 C ATOM 742 NZ LYS A 59 0.060 2.282 9.907 1.00 0.00 N ATOM 0 H LYS A 59 -0.987 8.617 11.197 1.00 0.00 H new ATOM 0 HA LYS A 59 1.373 7.982 12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.659 7.355 9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.151 6.878 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.846 5.518 12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.638 5.982 11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.184 4.946 9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.675 4.489 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.419 3.075 11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.098 3.577 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.401 1.429 10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.407 2.566 9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.063 2.080 9.719 1.00 0.00 H new ATOM 756 N ILE A 60 1.090 10.389 10.703 1.00 0.00 N ATOM 757 CA ILE A 60 1.710 11.642 10.291 1.00 0.00 C ATOM 758 C ILE A 60 0.831 12.835 10.646 1.00 0.00 C ATOM 759 O ILE A 60 -0.347 12.676 10.966 1.00 0.00 O ATOM 760 CB ILE A 60 1.998 11.661 8.779 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.689 11.624 7.986 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.891 10.491 8.393 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.872 11.802 6.496 1.00 0.00 C ATOM 0 H ILE A 60 0.103 10.308 10.459 1.00 0.00 H new ATOM 0 HA ILE A 60 2.654 11.717 10.831 1.00 0.00 H new ATOM 0 HB ILE A 60 2.521 12.586 8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.191 10.672 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.028 12.407 8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.085 10.519 7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.835 10.559 8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.394 9.555 8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.099 11.764 6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.341 12.766 6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.506 11.004 6.109 1.00 0.00 H new ATOM 775 N LYS A 61 1.411 14.029 10.589 1.00 0.00 N ATOM 776 CA LYS A 61 0.655 15.258 10.800 1.00 0.00 C ATOM 777 C LYS A 61 0.423 15.994 9.487 1.00 0.00 C ATOM 778 O LYS A 61 1.133 15.773 8.505 1.00 0.00 O ATOM 779 CB LYS A 61 1.381 16.169 11.792 1.00 0.00 C ATOM 780 CG LYS A 61 1.467 15.614 13.207 1.00 0.00 C ATOM 781 CD LYS A 61 2.140 16.601 14.148 1.00 0.00 C ATOM 782 CE LYS A 61 2.109 16.106 15.587 1.00 0.00 C ATOM 783 NZ LYS A 61 2.855 17.010 16.503 1.00 0.00 N ATOM 0 H LYS A 61 2.403 14.172 10.398 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.316 14.986 11.214 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.391 16.354 11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.871 17.132 11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.466 15.386 13.572 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.025 14.678 13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.173 16.756 13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.639 17.567 14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.074 16.025 15.920 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.539 15.105 15.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.809 16.637 17.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.848 17.068 16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.430 17.959 16.477 1.00 0.00 H new ATOM 797 N GLU A 62 -0.575 16.872 9.474 1.00 0.00 N ATOM 798 CA GLU A 62 -0.938 17.601 8.265 1.00 0.00 C ATOM 799 C GLU A 62 -1.269 19.055 8.579 1.00 0.00 C ATOM 800 O GLU A 62 -1.854 19.359 9.618 1.00 0.00 O ATOM 801 CB GLU A 62 -2.126 16.930 7.571 1.00 0.00 C ATOM 802 CG GLU A 62 -3.420 16.959 8.371 1.00 0.00 C ATOM 803 CD GLU A 62 -4.547 16.318 7.610 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.306 15.822 6.536 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.624 16.224 8.150 1.00 0.00 O ATOM 0 H GLU A 62 -1.147 17.096 10.288 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.080 17.583 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.295 17.420 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.868 15.893 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.276 16.439 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.680 17.990 8.609 1.00 0.00 H new ATOM 915 N LYS A 69 -1.878 21.554 0.619 1.00 0.00 N ATOM 916 CA LYS A 69 -1.643 20.906 1.903 1.00 0.00 C ATOM 917 C LYS A 69 -0.218 20.378 2.002 1.00 0.00 C ATOM 918 O LYS A 69 0.374 19.971 1.003 1.00 0.00 O ATOM 919 CB LYS A 69 -2.642 19.769 2.120 1.00 0.00 C ATOM 920 CG LYS A 69 -4.092 20.219 2.249 1.00 0.00 C ATOM 921 CD LYS A 69 -5.018 19.038 2.494 1.00 0.00 C ATOM 922 CE LYS A 69 -6.466 19.488 2.625 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.383 18.343 2.875 1.00 0.00 N ATOM 0 HA LYS A 69 -1.783 21.654 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.564 19.070 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.362 19.223 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.182 20.931 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.396 20.739 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.929 18.327 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.714 18.517 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.551 20.206 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.770 20.004 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.359 18.692 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.322 17.670 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.110 17.866 3.758 1.00 0.00 H new ATOM 937 N ILE A 70 0.329 20.389 3.212 1.00 0.00 N ATOM 938 CA ILE A 70 1.669 19.867 3.452 1.00 0.00 C ATOM 939 C ILE A 70 1.663 18.819 4.558 1.00 0.00 C ATOM 940 O ILE A 70 1.046 19.011 5.605 1.00 0.00 O ATOM 941 CB ILE A 70 2.654 20.990 3.827 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.846 21.947 2.649 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.987 20.404 4.266 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.774 23.103 2.946 1.00 0.00 C ATOM 0 H ILE A 70 -0.136 20.754 4.043 1.00 0.00 H new ATOM 0 HA ILE A 70 1.997 19.405 2.521 1.00 0.00 H new ATOM 0 HB ILE A 70 2.237 21.553 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.238 21.388 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.874 22.341 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.671 21.211 4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.834 19.763 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.412 19.817 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.860 23.737 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.374 23.687 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.758 22.720 3.214 1.00 0.00 H new ATOM 956 N TYR A 71 2.353 17.709 4.318 1.00 0.00 N ATOM 957 CA TYR A 71 2.350 16.589 5.250 1.00 0.00 C ATOM 958 C TYR A 71 3.752 16.309 5.779 1.00 0.00 C ATOM 959 O TYR A 71 4.742 16.508 5.076 1.00 0.00 O ATOM 960 CB TYR A 71 1.783 15.336 4.578 1.00 0.00 C ATOM 961 CG TYR A 71 0.364 15.497 4.079 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.101 16.137 2.877 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.707 15.005 4.809 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.193 16.288 2.416 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.004 15.149 4.358 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.244 15.791 3.161 1.00 0.00 C ATOM 967 OH TYR A 71 -3.534 15.936 2.705 1.00 0.00 O ATOM 0 H TYR A 71 2.922 17.562 3.484 1.00 0.00 H new ATOM 0 HA TYR A 71 1.714 16.858 6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.424 15.064 3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.817 14.509 5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.922 16.524 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.524 14.501 5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.381 16.791 1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.827 14.761 4.940 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.063 15.153 2.965 1.00 0.00 H new ATOM 977 N PHE A 72 3.827 15.846 7.022 1.00 0.00 N ATOM 978 CA PHE A 72 5.105 15.509 7.638 1.00 0.00 C ATOM 979 C PHE A 72 4.921 14.521 8.782 1.00 0.00 C ATOM 980 O PHE A 72 3.889 14.518 9.454 1.00 0.00 O ATOM 981 CB PHE A 72 5.804 16.773 8.143 1.00 0.00 C ATOM 982 CG PHE A 72 5.036 17.507 9.206 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.061 18.431 8.864 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.290 17.274 10.549 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.355 19.108 9.840 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.585 17.949 11.528 1.00 0.00 C ATOM 987 CZ PHE A 72 3.617 18.866 11.174 1.00 0.00 C ATOM 0 H PHE A 72 3.017 15.695 7.623 1.00 0.00 H new ATOM 0 HA PHE A 72 5.728 15.038 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.784 16.502 8.537 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.973 17.444 7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.851 18.624 7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.047 16.558 10.833 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.599 19.826 9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.792 17.758 12.571 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.065 19.393 11.938 1.00 0.00 H new ATOM 997 N ALA A 73 5.928 13.680 8.998 1.00 0.00 N ATOM 998 CA ALA A 73 5.891 12.702 10.079 1.00 0.00 C ATOM 999 C ALA A 73 6.333 13.321 11.398 1.00 0.00 C ATOM 1000 O ALA A 73 7.213 14.181 11.427 1.00 0.00 O ATOM 1001 CB ALA A 73 6.759 11.500 9.736 1.00 0.00 C ATOM 0 H ALA A 73 6.780 13.657 8.438 1.00 0.00 H new ATOM 0 HA ALA A 73 4.860 12.368 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.721 10.779 10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.390 11.034 8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.789 11.825 9.587 1.00 0.00 H new