USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 405 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 48 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 11 LYS NZ :NH3+ -109:sc= -3.08! (180deg=-4.71!) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.05 K(o=-5.1,f=-6.8!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0722 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 91:sc= 1.29 USER MOD Single : A 36 GLN : amide:sc= -0.0315 K(o=-0.032,f=-1.8!) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.155 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00716 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 2.130 2.395 -6.285 1.00 42.04 N ATOM 43 CA VAL A 3 2.797 2.264 -7.575 1.00 64.22 C ATOM 44 C VAL A 3 2.355 3.361 -8.537 1.00 73.40 C ATOM 45 O VAL A 3 3.065 3.693 -9.485 1.00 75.13 O ATOM 46 CB VAL A 3 2.517 0.891 -8.215 1.00 52.10 C ATOM 47 CG1 VAL A 3 3.306 0.732 -9.506 1.00 0.14 C ATOM 48 CG2 VAL A 3 2.845 -0.228 -7.239 1.00 33.44 C ATOM 0 HA VAL A 3 3.867 2.358 -7.389 1.00 64.22 H new ATOM 0 HB VAL A 3 1.456 0.832 -8.457 1.00 52.10 H new ATOM 0 HG11 VAL A 3 3.095 -0.244 -9.943 1.00 0.14 H new ATOM 0 HG12 VAL A 3 3.017 1.514 -10.208 1.00 0.14 H new ATOM 0 HG13 VAL A 3 4.372 0.812 -9.293 1.00 0.14 H new ATOM 0 HG21 VAL A 3 2.641 -1.191 -7.708 1.00 33.44 H new ATOM 0 HG22 VAL A 3 3.898 -0.174 -6.964 1.00 33.44 H new ATOM 0 HG23 VAL A 3 2.231 -0.123 -6.345 1.00 33.44 H new ATOM 58 N GLY A 4 1.175 3.921 -8.285 1.00 63.42 N ATOM 59 CA GLY A 4 0.658 4.975 -9.137 1.00 53.15 C ATOM 60 C GLY A 4 -0.723 4.659 -9.678 1.00 64.40 C ATOM 61 O GLY A 4 -1.250 5.387 -10.519 1.00 30.10 O ATOM 0 H GLY A 4 0.569 3.663 -7.506 1.00 63.42 H new ATOM 0 HA2 GLY A 4 0.619 5.907 -8.574 1.00 53.15 H new ATOM 0 HA3 GLY A 4 1.343 5.134 -9.970 1.00 53.15 H new ATOM 65 N PHE A 5 -1.309 3.568 -9.196 1.00 14.00 N ATOM 66 CA PHE A 5 -2.636 3.155 -9.638 1.00 71.22 C ATOM 67 C PHE A 5 -3.665 4.249 -9.368 1.00 43.24 C ATOM 68 O PHE A 5 -4.738 4.270 -9.971 1.00 41.43 O ATOM 69 CB PHE A 5 -3.053 1.863 -8.933 1.00 23.45 C ATOM 70 CG PHE A 5 -2.808 1.883 -7.451 1.00 1.12 C ATOM 71 CD1 PHE A 5 -3.647 2.592 -6.606 1.00 42.24 C ATOM 72 CD2 PHE A 5 -1.738 1.194 -6.902 1.00 74.54 C ATOM 73 CE1 PHE A 5 -3.425 2.613 -5.242 1.00 64.22 C ATOM 74 CE2 PHE A 5 -1.512 1.210 -5.539 1.00 44.12 C ATOM 75 CZ PHE A 5 -2.355 1.922 -4.708 1.00 61.42 C ATOM 0 H PHE A 5 -0.886 2.954 -8.500 1.00 14.00 H new ATOM 0 HA PHE A 5 -2.594 2.977 -10.713 1.00 71.22 H new ATOM 0 HB2 PHE A 5 -4.113 1.685 -9.116 1.00 23.45 H new ATOM 0 HB3 PHE A 5 -2.509 1.027 -9.372 1.00 23.45 H new ATOM 0 HD1 PHE A 5 -4.485 3.135 -7.018 1.00 42.24 H new ATOM 0 HD2 PHE A 5 -1.073 0.638 -7.547 1.00 74.54 H new ATOM 0 HE1 PHE A 5 -4.087 3.169 -4.595 1.00 64.22 H new ATOM 0 HE2 PHE A 5 -0.677 0.666 -5.123 1.00 44.12 H new ATOM 0 HZ PHE A 5 -2.178 1.938 -3.643 1.00 61.42 H new ATOM 85 N PHE A 6 -3.329 5.157 -8.457 1.00 60.35 N ATOM 86 CA PHE A 6 -4.223 6.254 -8.106 1.00 30.34 C ATOM 87 C PHE A 6 -4.551 7.102 -9.331 1.00 1.44 C ATOM 88 O PHE A 6 -5.635 7.678 -9.430 1.00 21.31 O ATOM 89 CB PHE A 6 -3.590 7.127 -7.020 1.00 53.34 C ATOM 90 CG PHE A 6 -4.410 8.337 -6.671 1.00 22.41 C ATOM 91 CD1 PHE A 6 -5.706 8.199 -6.201 1.00 1.32 C ATOM 92 CD2 PHE A 6 -3.884 9.611 -6.813 1.00 71.40 C ATOM 93 CE1 PHE A 6 -6.463 9.310 -5.878 1.00 4.01 C ATOM 94 CE2 PHE A 6 -4.636 10.725 -6.491 1.00 62.13 C ATOM 95 CZ PHE A 6 -5.927 10.575 -6.024 1.00 60.54 C ATOM 0 H PHE A 6 -2.445 5.154 -7.949 1.00 60.35 H new ATOM 0 HA PHE A 6 -5.150 5.827 -7.724 1.00 30.34 H new ATOM 0 HB2 PHE A 6 -3.442 6.527 -6.122 1.00 53.34 H new ATOM 0 HB3 PHE A 6 -2.604 7.450 -7.353 1.00 53.34 H new ATOM 0 HD1 PHE A 6 -6.130 7.212 -6.086 1.00 1.32 H new ATOM 0 HD2 PHE A 6 -2.876 9.735 -7.179 1.00 71.40 H new ATOM 0 HE1 PHE A 6 -7.472 9.189 -5.512 1.00 4.01 H new ATOM 0 HE2 PHE A 6 -4.214 11.713 -6.605 1.00 62.13 H new ATOM 0 HZ PHE A 6 -6.516 11.445 -5.773 1.00 60.54 H new ATOM 105 N LYS A 7 -3.606 7.176 -10.262 1.00 1.43 N ATOM 106 CA LYS A 7 -3.792 7.953 -11.481 1.00 50.43 C ATOM 107 C LYS A 7 -4.984 7.435 -12.280 1.00 1.41 C ATOM 108 O LYS A 7 -5.509 8.130 -13.150 1.00 62.04 O ATOM 109 CB LYS A 7 -2.527 7.902 -12.341 1.00 72.13 C ATOM 110 CG LYS A 7 -2.554 8.859 -13.521 1.00 33.43 C ATOM 111 CD LYS A 7 -2.086 10.248 -13.122 1.00 41.25 C ATOM 112 CE LYS A 7 -0.613 10.252 -12.743 1.00 11.52 C ATOM 113 NZ LYS A 7 0.246 10.742 -13.857 1.00 35.51 N ATOM 0 H LYS A 7 -2.703 6.707 -10.195 1.00 1.43 H new ATOM 0 HA LYS A 7 -3.989 8.987 -11.197 1.00 50.43 H new ATOM 0 HB2 LYS A 7 -1.664 8.133 -11.717 1.00 72.13 H new ATOM 0 HB3 LYS A 7 -2.390 6.886 -12.711 1.00 72.13 H new ATOM 0 HG2 LYS A 7 -1.917 8.474 -14.318 1.00 33.43 H new ATOM 0 HG3 LYS A 7 -3.566 8.916 -13.922 1.00 33.43 H new ATOM 0 HD2 LYS A 7 -2.252 10.940 -13.947 1.00 41.25 H new ATOM 0 HD3 LYS A 7 -2.680 10.606 -12.281 1.00 41.25 H new ATOM 0 HE2 LYS A 7 -0.465 10.883 -11.866 1.00 11.52 H new ATOM 0 HE3 LYS A 7 -0.307 9.243 -12.465 1.00 11.52 H new ATOM 0 HZ1 LYS A 7 1.242 10.729 -13.559 1.00 35.51 H new ATOM 0 HZ2 LYS A 7 0.125 10.125 -14.686 1.00 35.51 H new ATOM 0 HZ3 LYS A 7 -0.029 11.714 -14.105 1.00 35.51 H new ATOM 127 N ARG A 8 -5.407 6.212 -11.977 1.00 42.41 N ATOM 128 CA ARG A 8 -6.537 5.602 -12.667 1.00 10.22 C ATOM 129 C ARG A 8 -7.735 6.547 -12.690 1.00 3.52 C ATOM 130 O ARG A 8 -8.446 6.639 -13.689 1.00 14.11 O ATOM 131 CB ARG A 8 -6.925 4.286 -11.990 1.00 11.53 C ATOM 132 CG ARG A 8 -7.841 3.415 -12.833 1.00 33.31 C ATOM 133 CD ARG A 8 -9.289 3.868 -12.732 1.00 74.21 C ATOM 134 NE ARG A 8 -10.215 2.739 -12.691 1.00 24.44 N ATOM 135 CZ ARG A 8 -10.366 1.951 -11.632 1.00 23.22 C ATOM 136 NH1 ARG A 8 -9.657 2.168 -10.533 1.00 4.42 N ATOM 137 NH2 ARG A 8 -11.228 0.943 -11.671 1.00 21.02 N ATOM 0 H ARG A 8 -4.984 5.624 -11.258 1.00 42.41 H new ATOM 0 HA ARG A 8 -6.236 5.399 -13.695 1.00 10.22 H new ATOM 0 HB2 ARG A 8 -6.019 3.726 -11.756 1.00 11.53 H new ATOM 0 HB3 ARG A 8 -7.417 4.506 -11.043 1.00 11.53 H new ATOM 0 HG2 ARG A 8 -7.520 3.449 -13.874 1.00 33.31 H new ATOM 0 HG3 ARG A 8 -7.760 2.378 -12.508 1.00 33.31 H new ATOM 0 HD2 ARG A 8 -9.417 4.475 -11.835 1.00 74.21 H new ATOM 0 HD3 ARG A 8 -9.530 4.504 -13.584 1.00 74.21 H new ATOM 0 HE ARG A 8 -10.776 2.545 -13.520 1.00 24.44 H new ATOM 0 HH11 ARG A 8 -8.993 2.942 -10.499 1.00 4.42 H new ATOM 0 HH12 ARG A 8 -9.775 1.561 -9.722 1.00 4.42 H new ATOM 0 HH21 ARG A 8 -11.775 0.772 -12.515 1.00 21.02 H new ATOM 0 HH22 ARG A 8 -11.343 0.339 -10.857 1.00 21.02 H new ATOM 151 N ASN A 9 -7.950 7.248 -11.581 1.00 35.10 N ATOM 152 CA ASN A 9 -9.062 8.185 -11.473 1.00 55.45 C ATOM 153 C ASN A 9 -8.723 9.511 -12.147 1.00 52.43 C ATOM 154 O ASN A 9 -9.547 10.088 -12.859 1.00 30.40 O ATOM 155 CB ASN A 9 -9.416 8.423 -10.004 1.00 32.11 C ATOM 156 CG ASN A 9 -10.180 7.261 -9.398 1.00 3.21 C ATOM 157 OD1 ASN A 9 -10.107 6.134 -9.887 1.00 31.32 O ATOM 158 ND2 ASN A 9 -10.917 7.532 -8.327 1.00 53.35 N ATOM 0 H ASN A 9 -7.369 7.185 -10.745 1.00 35.10 H new ATOM 0 HA ASN A 9 -9.922 7.749 -11.981 1.00 55.45 H new ATOM 0 HB2 ASN A 9 -8.501 8.589 -9.435 1.00 32.11 H new ATOM 0 HB3 ASN A 9 -10.013 9.331 -9.919 1.00 32.11 H new ATOM 0 HD21 ASN A 9 -11.452 6.791 -7.875 1.00 53.35 H new ATOM 0 HD22 ASN A 9 -10.948 8.482 -7.956 1.00 53.35 H new ATOM 165 N LEU A 10 -7.505 9.990 -11.919 1.00 12.13 N ATOM 166 CA LEU A 10 -7.055 11.248 -12.504 1.00 14.40 C ATOM 167 C LEU A 10 -7.138 11.201 -14.026 1.00 51.23 C ATOM 168 O LEU A 10 -7.401 12.213 -14.677 1.00 11.04 O ATOM 169 CB LEU A 10 -5.621 11.552 -12.069 1.00 24.20 C ATOM 170 CG LEU A 10 -5.020 12.854 -12.598 1.00 40.55 C ATOM 171 CD1 LEU A 10 -6.047 13.975 -12.547 1.00 5.42 C ATOM 172 CD2 LEU A 10 -3.777 13.230 -11.805 1.00 11.12 C ATOM 0 H LEU A 10 -6.811 9.526 -11.333 1.00 12.13 H new ATOM 0 HA LEU A 10 -7.712 12.041 -12.147 1.00 14.40 H new ATOM 0 HB2 LEU A 10 -5.591 11.578 -10.980 1.00 24.20 H new ATOM 0 HB3 LEU A 10 -4.984 10.726 -12.386 1.00 24.20 H new ATOM 0 HG LEU A 10 -4.730 12.701 -13.638 1.00 40.55 H new ATOM 0 HD11 LEU A 10 -5.601 14.894 -12.927 1.00 5.42 H new ATOM 0 HD12 LEU A 10 -6.908 13.708 -13.160 1.00 5.42 H new ATOM 0 HD13 LEU A 10 -6.369 14.127 -11.517 1.00 5.42 H new ATOM 0 HD21 LEU A 10 -3.363 14.159 -12.196 1.00 11.12 H new ATOM 0 HD22 LEU A 10 -4.041 13.364 -10.756 1.00 11.12 H new ATOM 0 HD23 LEU A 10 -3.035 12.437 -11.894 1.00 11.12 H new ATOM 184 N LYS A 11 -6.914 10.019 -14.589 1.00 62.24 N ATOM 185 CA LYS A 11 -6.966 9.837 -16.035 1.00 51.02 C ATOM 186 C LYS A 11 -8.345 9.355 -16.474 1.00 14.45 C ATOM 187 O LYS A 11 -8.714 9.481 -17.641 1.00 21.42 O ATOM 188 CB LYS A 11 -5.899 8.836 -16.483 1.00 44.00 C ATOM 189 CG LYS A 11 -5.008 9.355 -17.599 1.00 31.13 C ATOM 190 CD LYS A 11 -4.390 10.696 -17.241 1.00 0.03 C ATOM 191 CE LYS A 11 -3.352 10.555 -16.138 1.00 33.13 C ATOM 192 NZ LYS A 11 -2.314 9.544 -16.479 1.00 61.42 N ATOM 0 H LYS A 11 -6.694 9.172 -14.065 1.00 62.24 H new ATOM 0 HA LYS A 11 -6.771 10.801 -16.504 1.00 51.02 H new ATOM 0 HB2 LYS A 11 -5.278 8.572 -15.627 1.00 44.00 H new ATOM 0 HB3 LYS A 11 -6.388 7.921 -16.816 1.00 44.00 H new ATOM 0 HG2 LYS A 11 -4.218 8.632 -17.801 1.00 31.13 H new ATOM 0 HG3 LYS A 11 -5.591 9.455 -18.515 1.00 31.13 H new ATOM 0 HD2 LYS A 11 -3.925 11.131 -18.126 1.00 0.03 H new ATOM 0 HD3 LYS A 11 -5.172 11.384 -16.920 1.00 0.03 H new ATOM 0 HE2 LYS A 11 -2.876 11.519 -15.962 1.00 33.13 H new ATOM 0 HE3 LYS A 11 -3.846 10.269 -15.209 1.00 33.13 H new ATOM 0 HZ1 LYS A 11 -2.440 8.702 -15.881 1.00 61.42 H new ATOM 0 HZ2 LYS A 11 -2.406 9.275 -17.479 1.00 61.42 H new ATOM 0 HZ3 LYS A 11 -1.370 9.947 -16.315 1.00 61.42 H new ATOM 206 N GLU A 12 -9.103 8.806 -15.529 1.00 52.14 N ATOM 207 CA GLU A 12 -10.442 8.307 -15.820 1.00 31.11 C ATOM 208 C GLU A 12 -11.251 9.340 -16.599 1.00 42.10 C ATOM 209 O GLU A 12 -12.125 8.991 -17.393 1.00 0.51 O ATOM 210 CB GLU A 12 -11.169 7.947 -14.522 1.00 40.14 C ATOM 211 CG GLU A 12 -11.954 9.102 -13.924 1.00 51.21 C ATOM 212 CD GLU A 12 -13.369 9.187 -14.462 1.00 72.45 C ATOM 213 OE1 GLU A 12 -14.019 8.128 -14.593 1.00 11.52 O ATOM 214 OE2 GLU A 12 -13.826 10.312 -14.753 1.00 74.13 O ATOM 0 H GLU A 12 -8.813 8.696 -14.557 1.00 52.14 H new ATOM 0 HA GLU A 12 -10.343 7.411 -16.433 1.00 31.11 H new ATOM 0 HB2 GLU A 12 -11.849 7.117 -14.715 1.00 40.14 H new ATOM 0 HB3 GLU A 12 -10.439 7.598 -13.791 1.00 40.14 H new ATOM 0 HG2 GLU A 12 -11.988 8.991 -12.840 1.00 51.21 H new ATOM 0 HG3 GLU A 12 -11.433 10.037 -14.133 1.00 51.21 H new ATOM 221 N LYS A 13 -10.953 10.614 -16.366 1.00 32.11 N ATOM 222 CA LYS A 13 -11.650 11.700 -17.045 1.00 33.31 C ATOM 223 C LYS A 13 -11.146 11.860 -18.475 1.00 65.14 C ATOM 224 O LYS A 13 -11.922 12.136 -19.390 1.00 73.21 O ATOM 225 CB LYS A 13 -11.465 13.011 -16.278 1.00 32.34 C ATOM 226 CG LYS A 13 -10.022 13.479 -16.213 1.00 2.01 C ATOM 227 CD LYS A 13 -9.717 14.167 -14.893 1.00 34.03 C ATOM 228 CE LYS A 13 -8.762 15.335 -15.080 1.00 45.13 C ATOM 229 NZ LYS A 13 -9.404 16.637 -14.747 1.00 71.41 N ATOM 0 H LYS A 13 -10.233 10.920 -15.712 1.00 32.11 H new ATOM 0 HA LYS A 13 -12.711 11.452 -17.078 1.00 33.31 H new ATOM 0 HB2 LYS A 13 -12.069 13.786 -16.750 1.00 32.34 H new ATOM 0 HB3 LYS A 13 -11.843 12.885 -15.264 1.00 32.34 H new ATOM 0 HG2 LYS A 13 -9.356 12.626 -16.342 1.00 2.01 H new ATOM 0 HG3 LYS A 13 -9.824 14.165 -17.036 1.00 2.01 H new ATOM 0 HD2 LYS A 13 -10.645 14.523 -14.444 1.00 34.03 H new ATOM 0 HD3 LYS A 13 -9.282 13.448 -14.199 1.00 34.03 H new ATOM 0 HE2 LYS A 13 -7.885 15.191 -14.449 1.00 45.13 H new ATOM 0 HE3 LYS A 13 -8.412 15.356 -16.112 1.00 45.13 H new ATOM 0 HZ1 LYS A 13 -8.720 17.407 -14.888 1.00 71.41 H new ATOM 0 HZ2 LYS A 13 -10.226 16.787 -15.366 1.00 71.41 H new ATOM 0 HZ3 LYS A 13 -9.715 16.627 -13.755 1.00 71.41 H new ATOM 243 N ILE A 14 -9.842 11.684 -18.661 1.00 3.00 N ATOM 244 CA ILE A 14 -9.235 11.807 -19.981 1.00 31.33 C ATOM 245 C ILE A 14 -9.902 10.869 -20.981 1.00 64.14 C ATOM 246 O ILE A 14 -10.213 11.264 -22.104 1.00 44.14 O ATOM 247 CB ILE A 14 -7.726 11.504 -19.937 1.00 23.32 C ATOM 248 CG1 ILE A 14 -6.944 12.753 -19.524 1.00 34.34 C ATOM 249 CG2 ILE A 14 -7.248 10.997 -21.289 1.00 62.32 C ATOM 250 CD1 ILE A 14 -7.167 13.155 -18.083 1.00 2.44 C ATOM 0 H ILE A 14 -9.186 11.456 -17.914 1.00 3.00 H new ATOM 0 HA ILE A 14 -9.380 12.839 -20.301 1.00 31.33 H new ATOM 0 HB ILE A 14 -7.549 10.725 -19.195 1.00 23.32 H new ATOM 0 HG12 ILE A 14 -5.880 12.575 -19.683 1.00 34.34 H new ATOM 0 HG13 ILE A 14 -7.229 13.581 -20.172 1.00 34.34 H new ATOM 0 HG21 ILE A 14 -6.179 10.787 -21.242 1.00 62.32 H new ATOM 0 HG22 ILE A 14 -7.786 10.085 -21.546 1.00 62.32 H new ATOM 0 HG23 ILE A 14 -7.436 11.755 -22.049 1.00 62.32 H new ATOM 0 HD11 ILE A 14 -6.582 14.047 -17.860 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -8.225 13.365 -17.923 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -6.855 12.343 -17.426 1.00 2.44 H new ATOM 262 N GLU A 15 -10.119 9.625 -20.565 1.00 11.42 N ATOM 263 CA GLU A 15 -10.750 8.632 -21.425 1.00 72.42 C ATOM 264 C GLU A 15 -12.027 9.186 -22.051 1.00 62.21 C ATOM 265 O GLU A 15 -12.524 8.656 -23.044 1.00 53.13 O ATOM 266 CB GLU A 15 -11.068 7.364 -20.630 1.00 21.33 C ATOM 267 CG GLU A 15 -12.356 7.455 -19.828 1.00 64.22 C ATOM 268 CD GLU A 15 -13.547 6.883 -20.571 1.00 70.44 C ATOM 269 OE1 GLU A 15 -13.429 5.762 -21.110 1.00 42.41 O ATOM 270 OE2 GLU A 15 -14.598 7.556 -20.614 1.00 32.22 O ATOM 0 H GLU A 15 -9.867 9.282 -19.638 1.00 11.42 H new ATOM 0 HA GLU A 15 -10.051 8.386 -22.224 1.00 72.42 H new ATOM 0 HB2 GLU A 15 -11.137 6.522 -21.318 1.00 21.33 H new ATOM 0 HB3 GLU A 15 -10.241 7.154 -19.951 1.00 21.33 H new ATOM 0 HG2 GLU A 15 -12.231 6.923 -18.885 1.00 64.22 H new ATOM 0 HG3 GLU A 15 -12.553 8.498 -19.581 1.00 64.22 H new ATOM 277 N ALA A 16 -12.552 10.255 -21.462 1.00 4.21 N ATOM 278 CA ALA A 16 -13.769 10.882 -21.962 1.00 2.54 C ATOM 279 C ALA A 16 -13.572 12.382 -22.160 1.00 71.40 C ATOM 280 O ALA A 16 -14.377 13.042 -22.815 1.00 71.25 O ATOM 281 CB ALA A 16 -14.926 10.621 -21.009 1.00 53.53 C ATOM 0 H ALA A 16 -12.154 10.705 -20.638 1.00 4.21 H new ATOM 0 HA ALA A 16 -14.004 10.442 -22.931 1.00 2.54 H new ATOM 0 HB1 ALA A 16 -15.829 11.095 -21.394 1.00 53.53 H new ATOM 0 HB2 ALA A 16 -15.089 9.547 -20.921 1.00 53.53 H new ATOM 0 HB3 ALA A 16 -14.690 11.034 -20.028 1.00 53.53 H new ATOM 287 N GLY A 17 -12.496 12.914 -21.588 1.00 60.43 N ATOM 288 CA GLY A 17 -12.214 14.332 -21.714 1.00 21.45 C ATOM 289 C GLY A 17 -11.508 14.670 -23.012 1.00 34.12 C ATOM 290 O GLY A 17 -12.095 14.568 -24.089 1.00 42.44 O ATOM 0 H GLY A 17 -11.815 12.389 -21.040 1.00 60.43 H new ATOM 0 HA2 GLY A 17 -13.148 14.891 -21.656 1.00 21.45 H new ATOM 0 HA3 GLY A 17 -11.597 14.653 -20.874 1.00 21.45 H new ATOM 294 N ARG A 18 -10.247 15.075 -22.910 1.00 23.14 N ATOM 295 CA ARG A 18 -9.461 15.432 -24.085 1.00 15.31 C ATOM 296 C ARG A 18 -7.972 15.222 -23.828 1.00 51.12 C ATOM 297 O ARG A 18 -7.130 15.909 -24.404 1.00 5.21 O ATOM 298 CB ARG A 18 -9.722 16.888 -24.475 1.00 51.32 C ATOM 299 CG ARG A 18 -9.395 17.882 -23.373 1.00 5.30 C ATOM 300 CD ARG A 18 -9.364 19.308 -23.900 1.00 10.41 C ATOM 301 NE ARG A 18 -8.113 19.987 -23.571 1.00 15.05 N ATOM 302 CZ ARG A 18 -7.792 20.380 -22.343 1.00 63.20 C ATOM 303 NH1 ARG A 18 -8.624 20.162 -21.334 1.00 51.22 N ATOM 304 NH2 ARG A 18 -6.635 20.991 -22.123 1.00 1.44 N ATOM 0 H ARG A 18 -9.747 15.164 -22.025 1.00 23.14 H new ATOM 0 HA ARG A 18 -9.765 14.782 -24.906 1.00 15.31 H new ATOM 0 HB2 ARG A 18 -9.131 17.130 -25.358 1.00 51.32 H new ATOM 0 HB3 ARG A 18 -10.770 16.998 -24.753 1.00 51.32 H new ATOM 0 HG2 ARG A 18 -10.137 17.803 -22.578 1.00 5.30 H new ATOM 0 HG3 ARG A 18 -8.429 17.634 -22.933 1.00 5.30 H new ATOM 0 HD2 ARG A 18 -9.497 19.297 -24.982 1.00 10.41 H new ATOM 0 HD3 ARG A 18 -10.201 19.867 -23.481 1.00 10.41 H new ATOM 0 HE ARG A 18 -7.450 20.169 -24.325 1.00 15.05 H new ATOM 0 HH11 ARG A 18 -9.514 19.691 -21.499 1.00 51.22 H new ATOM 0 HH12 ARG A 18 -8.374 20.465 -20.393 1.00 51.22 H new ATOM 0 HH21 ARG A 18 -5.992 21.159 -22.897 1.00 1.44 H new ATOM 0 HH22 ARG A 18 -6.389 21.293 -21.180 1.00 1.44 H new ATOM 318 N GLY A 19 -7.655 14.267 -22.959 1.00 15.22 N ATOM 319 CA GLY A 19 -6.268 13.984 -22.640 1.00 52.15 C ATOM 320 C GLY A 19 -5.498 15.229 -22.246 1.00 71.30 C ATOM 321 O GLY A 19 -6.070 16.314 -22.141 1.00 23.14 O ATOM 0 H GLY A 19 -8.334 13.684 -22.470 1.00 15.22 H new ATOM 0 HA2 GLY A 19 -6.226 13.261 -21.825 1.00 52.15 H new ATOM 0 HA3 GLY A 19 -5.787 13.521 -23.502 1.00 52.15 H new ATOM 325 N VAL A 20 -4.197 15.073 -22.026 1.00 24.54 N ATOM 326 CA VAL A 20 -3.347 16.193 -21.640 1.00 23.44 C ATOM 327 C VAL A 20 -2.734 16.864 -22.863 1.00 45.22 C ATOM 328 O VAL A 20 -2.976 18.038 -23.145 1.00 4.15 O ATOM 329 CB VAL A 20 -2.217 15.741 -20.695 1.00 61.44 C ATOM 330 CG1 VAL A 20 -1.000 16.641 -20.849 1.00 34.21 C ATOM 331 CG2 VAL A 20 -2.702 15.727 -19.254 1.00 23.34 C ATOM 0 H VAL A 20 -3.708 14.182 -22.108 1.00 24.54 H new ATOM 0 HA VAL A 20 -3.983 16.908 -21.118 1.00 23.44 H new ATOM 0 HB VAL A 20 -1.924 14.726 -20.965 1.00 61.44 H new ATOM 0 HG11 VAL A 20 -0.212 16.307 -20.174 1.00 34.21 H new ATOM 0 HG12 VAL A 20 -0.641 16.594 -21.877 1.00 34.21 H new ATOM 0 HG13 VAL A 20 -1.274 17.668 -20.607 1.00 34.21 H new ATOM 0 HG21 VAL A 20 -1.891 15.405 -18.600 1.00 23.34 H new ATOM 0 HG22 VAL A 20 -3.023 16.729 -18.968 1.00 23.34 H new ATOM 0 HG23 VAL A 20 -3.540 15.037 -19.159 1.00 23.34 H new ATOM 341 N PRO A 21 -1.920 16.103 -23.610 1.00 42.42 N ATOM 342 CA PRO A 21 -1.255 16.604 -24.817 1.00 73.43 C ATOM 343 C PRO A 21 -2.236 16.849 -25.959 1.00 64.44 C ATOM 344 O PRO A 21 -2.173 17.876 -26.634 1.00 30.52 O ATOM 345 CB PRO A 21 -0.283 15.478 -25.179 1.00 51.13 C ATOM 346 CG PRO A 21 -0.888 14.251 -24.589 1.00 45.03 C ATOM 347 CD PRO A 21 -1.586 14.696 -23.334 1.00 72.13 C ATOM 0 HA PRO A 21 -0.771 17.566 -24.647 1.00 73.43 H new ATOM 0 HB2 PRO A 21 -0.171 15.384 -26.259 1.00 51.13 H new ATOM 0 HB3 PRO A 21 0.710 15.666 -24.770 1.00 51.13 H new ATOM 0 HG2 PRO A 21 -1.590 13.789 -25.283 1.00 45.03 H new ATOM 0 HG3 PRO A 21 -0.123 13.507 -24.367 1.00 45.03 H new ATOM 0 HD2 PRO A 21 -2.479 14.102 -23.139 1.00 72.13 H new ATOM 0 HD3 PRO A 21 -0.942 14.600 -22.460 1.00 72.13 H new ATOM 355 N ASN A 22 -3.141 15.899 -26.170 1.00 61.41 N ATOM 356 CA ASN A 22 -4.135 16.012 -27.231 1.00 62.14 C ATOM 357 C ASN A 22 -3.518 16.606 -28.494 1.00 4.54 C ATOM 358 O ASN A 22 -3.464 17.825 -28.657 1.00 33.33 O ATOM 359 CB ASN A 22 -5.309 16.876 -26.768 1.00 52.54 C ATOM 360 CG ASN A 22 -4.872 18.265 -26.342 1.00 74.30 C ATOM 361 OD1 ASN A 22 -4.303 18.445 -25.265 1.00 52.14 O ATOM 362 ND2 ASN A 22 -5.138 19.254 -27.187 1.00 60.02 N ATOM 0 H ASN A 22 -3.207 15.042 -25.620 1.00 61.41 H new ATOM 0 HA ASN A 22 -4.499 15.011 -27.462 1.00 62.14 H new ATOM 0 HB2 ASN A 22 -6.036 16.959 -27.575 1.00 52.54 H new ATOM 0 HB3 ASN A 22 -5.812 16.385 -25.935 1.00 52.54 H new ATOM 0 HD21 ASN A 22 -4.869 20.210 -26.954 1.00 60.02 H new ATOM 0 HD22 ASN A 22 -5.612 19.058 -28.069 1.00 60.02 H new ATOM 369 N GLY A 23 -3.052 15.736 -29.385 1.00 14.30 N ATOM 370 CA GLY A 23 -2.446 16.194 -30.621 1.00 64.33 C ATOM 371 C GLY A 23 -1.121 15.512 -30.904 1.00 55.21 C ATOM 372 O GLY A 23 -0.211 16.120 -31.467 1.00 4.53 O ATOM 0 H GLY A 23 -3.083 14.723 -29.273 1.00 14.30 H new ATOM 0 HA2 GLY A 23 -3.131 16.009 -31.449 1.00 64.33 H new ATOM 0 HA3 GLY A 23 -2.293 17.272 -30.570 1.00 64.33 H new ATOM 376 N ILE A 24 -1.013 14.247 -30.512 1.00 14.20 N ATOM 377 CA ILE A 24 0.209 13.483 -30.726 1.00 44.43 C ATOM 378 C ILE A 24 -0.101 12.083 -31.243 1.00 22.42 C ATOM 379 O ILE A 24 -1.232 11.602 -31.165 1.00 65.33 O ATOM 380 CB ILE A 24 1.036 13.370 -29.432 1.00 23.31 C ATOM 381 CG1 ILE A 24 0.124 13.467 -28.208 1.00 34.13 C ATOM 382 CG2 ILE A 24 2.105 14.451 -29.390 1.00 4.34 C ATOM 383 CD1 ILE A 24 0.733 12.883 -26.952 1.00 52.41 C ATOM 0 H ILE A 24 -1.757 13.730 -30.044 1.00 14.20 H new ATOM 0 HA ILE A 24 0.791 14.022 -31.473 1.00 44.43 H new ATOM 0 HB ILE A 24 1.530 12.398 -29.418 1.00 23.31 H new ATOM 0 HG12 ILE A 24 -0.121 14.514 -28.030 1.00 34.13 H new ATOM 0 HG13 ILE A 24 -0.813 12.952 -28.421 1.00 34.13 H new ATOM 0 HG21 ILE A 24 2.681 14.358 -28.469 1.00 4.34 H new ATOM 0 HG22 ILE A 24 2.770 14.339 -30.247 1.00 4.34 H new ATOM 0 HG23 ILE A 24 1.632 15.432 -29.424 1.00 4.34 H new ATOM 0 HD11 ILE A 24 0.031 12.987 -26.125 1.00 52.41 H new ATOM 0 HD12 ILE A 24 0.953 11.827 -27.111 1.00 52.41 H new ATOM 0 HD13 ILE A 24 1.655 13.414 -26.714 1.00 52.41 H new ATOM 395 N PRO A 25 0.927 11.410 -31.782 1.00 33.33 N ATOM 396 CA PRO A 25 0.789 10.053 -32.320 1.00 24.04 C ATOM 397 C PRO A 25 0.557 9.016 -31.226 1.00 10.44 C ATOM 398 O PRO A 25 0.590 7.813 -31.481 1.00 3.04 O ATOM 399 CB PRO A 25 2.133 9.808 -33.012 1.00 13.15 C ATOM 400 CG PRO A 25 3.091 10.705 -32.307 1.00 12.30 C ATOM 401 CD PRO A 25 2.302 11.921 -31.907 1.00 11.31 C ATOM 0 HA PRO A 25 -0.071 9.963 -32.984 1.00 24.04 H new ATOM 0 HB2 PRO A 25 2.435 8.764 -32.931 1.00 13.15 H new ATOM 0 HB3 PRO A 25 2.080 10.043 -34.075 1.00 13.15 H new ATOM 0 HG2 PRO A 25 3.517 10.212 -31.433 1.00 12.30 H new ATOM 0 HG3 PRO A 25 3.923 10.976 -32.957 1.00 12.30 H new ATOM 0 HD2 PRO A 25 2.661 12.342 -30.968 1.00 11.31 H new ATOM 0 HD3 PRO A 25 2.371 12.709 -32.657 1.00 11.31 H new ATOM 409 N ALA A 26 0.321 9.492 -30.007 1.00 61.41 N ATOM 410 CA ALA A 26 0.081 8.606 -28.875 1.00 35.40 C ATOM 411 C ALA A 26 -1.092 7.670 -29.149 1.00 53.43 C ATOM 412 O ALA A 26 -1.221 6.621 -28.520 1.00 11.25 O ATOM 413 CB ALA A 26 -0.173 9.418 -27.614 1.00 35.12 C ATOM 0 H ALA A 26 0.291 10.486 -29.779 1.00 61.41 H new ATOM 0 HA ALA A 26 0.972 7.996 -28.728 1.00 35.40 H new ATOM 0 HB1 ALA A 26 -0.351 8.743 -26.776 1.00 35.12 H new ATOM 0 HB2 ALA A 26 0.696 10.040 -27.401 1.00 35.12 H new ATOM 0 HB3 ALA A 26 -1.047 10.053 -27.760 1.00 35.12 H new ATOM 419 N GLU A 27 -1.945 8.059 -30.092 1.00 61.35 N ATOM 420 CA GLU A 27 -3.108 7.254 -30.448 1.00 11.31 C ATOM 421 C GLU A 27 -2.696 5.828 -30.802 1.00 2.41 C ATOM 422 O GLU A 27 -3.375 4.867 -30.441 1.00 61.24 O ATOM 423 CB GLU A 27 -3.854 7.888 -31.624 1.00 11.11 C ATOM 424 CG GLU A 27 -2.936 8.417 -32.713 1.00 72.43 C ATOM 425 CD GLU A 27 -3.402 8.035 -34.105 1.00 34.21 C ATOM 426 OE1 GLU A 27 -4.627 8.060 -34.349 1.00 3.21 O ATOM 427 OE2 GLU A 27 -2.542 7.711 -34.950 1.00 62.11 O ATOM 0 H GLU A 27 -1.853 8.925 -30.622 1.00 61.35 H new ATOM 0 HA GLU A 27 -3.771 7.218 -29.583 1.00 11.31 H new ATOM 0 HB2 GLU A 27 -4.528 7.149 -32.056 1.00 11.11 H new ATOM 0 HB3 GLU A 27 -4.472 8.705 -31.253 1.00 11.11 H new ATOM 0 HG2 GLU A 27 -2.878 9.503 -32.638 1.00 72.43 H new ATOM 0 HG3 GLU A 27 -1.929 8.032 -32.553 1.00 72.43 H new ATOM 434 N ASP A 28 -1.579 5.700 -31.510 1.00 54.44 N ATOM 435 CA ASP A 28 -1.075 4.393 -31.914 1.00 33.35 C ATOM 436 C ASP A 28 -0.592 3.600 -30.703 1.00 73.21 C ATOM 437 O ASP A 28 -0.629 2.369 -30.700 1.00 14.44 O ATOM 438 CB ASP A 28 0.063 4.550 -32.923 1.00 11.20 C ATOM 439 CG ASP A 28 -0.193 5.669 -33.914 1.00 23.21 C ATOM 440 OD1 ASP A 28 -1.113 5.526 -34.746 1.00 71.21 O ATOM 441 OD2 ASP A 28 0.527 6.687 -33.857 1.00 10.53 O ATOM 0 H ASP A 28 -1.005 6.486 -31.816 1.00 54.44 H new ATOM 0 HA ASP A 28 -1.892 3.845 -32.383 1.00 33.35 H new ATOM 0 HB2 ASP A 28 0.993 4.746 -32.390 1.00 11.20 H new ATOM 0 HB3 ASP A 28 0.197 3.613 -33.464 1.00 11.20 H new ATOM 446 N SER A 29 -0.138 4.313 -29.678 1.00 14.15 N ATOM 447 CA SER A 29 0.357 3.676 -28.463 1.00 11.01 C ATOM 448 C SER A 29 -0.800 3.208 -27.585 1.00 5.13 C ATOM 449 O SER A 29 -0.762 2.114 -27.023 1.00 11.14 O ATOM 450 CB SER A 29 1.247 4.644 -27.681 1.00 21.32 C ATOM 451 OG SER A 29 1.751 5.666 -28.522 1.00 41.42 O ATOM 0 H SER A 29 -0.103 5.332 -29.664 1.00 14.15 H new ATOM 0 HA SER A 29 0.946 2.805 -28.752 1.00 11.01 H new ATOM 0 HB2 SER A 29 0.677 5.088 -26.865 1.00 21.32 H new ATOM 0 HB3 SER A 29 2.076 4.098 -27.231 1.00 21.32 H new ATOM 0 HG SER A 29 2.315 6.272 -27.998 1.00 41.42 H new ATOM 457 N GLU A 30 -1.826 4.046 -27.472 1.00 63.33 N ATOM 458 CA GLU A 30 -2.993 3.718 -26.662 1.00 1.42 C ATOM 459 C GLU A 30 -3.664 2.443 -27.164 1.00 43.12 C ATOM 460 O GLU A 30 -4.272 1.704 -26.390 1.00 43.15 O ATOM 461 CB GLU A 30 -3.994 4.875 -26.679 1.00 52.31 C ATOM 462 CG GLU A 30 -4.208 5.516 -25.318 1.00 24.10 C ATOM 463 CD GLU A 30 -5.674 5.733 -24.999 1.00 11.00 C ATOM 464 OE1 GLU A 30 -6.462 5.938 -25.946 1.00 14.33 O ATOM 465 OE2 GLU A 30 -6.033 5.698 -23.804 1.00 13.04 O ATOM 0 H GLU A 30 -1.872 4.956 -27.931 1.00 63.33 H new ATOM 0 HA GLU A 30 -2.657 3.552 -25.638 1.00 1.42 H new ATOM 0 HB2 GLU A 30 -3.646 5.635 -27.378 1.00 52.31 H new ATOM 0 HB3 GLU A 30 -4.951 4.511 -27.054 1.00 52.31 H new ATOM 0 HG2 GLU A 30 -3.762 4.885 -24.549 1.00 24.10 H new ATOM 0 HG3 GLU A 30 -3.688 6.473 -25.286 1.00 24.10 H new ATOM 472 N GLN A 31 -3.548 2.194 -28.465 1.00 33.45 N ATOM 473 CA GLN A 31 -4.145 1.009 -29.070 1.00 64.14 C ATOM 474 C GLN A 31 -3.729 -0.253 -28.322 1.00 22.21 C ATOM 475 O GLN A 31 -4.549 -1.137 -28.070 1.00 61.00 O ATOM 476 CB GLN A 31 -3.737 0.902 -30.541 1.00 25.13 C ATOM 477 CG GLN A 31 -3.878 -0.500 -31.111 1.00 22.22 C ATOM 478 CD GLN A 31 -4.332 -0.499 -32.557 1.00 73.11 C ATOM 479 OE1 GLN A 31 -5.525 -0.605 -32.845 1.00 63.12 O ATOM 480 NE2 GLN A 31 -3.382 -0.379 -33.476 1.00 43.25 N ATOM 0 H GLN A 31 -3.047 2.796 -29.119 1.00 33.45 H new ATOM 0 HA GLN A 31 -5.229 1.106 -29.006 1.00 64.14 H new ATOM 0 HB2 GLN A 31 -4.347 1.587 -31.129 1.00 25.13 H new ATOM 0 HB3 GLN A 31 -2.702 1.226 -30.647 1.00 25.13 H new ATOM 0 HG2 GLN A 31 -2.921 -1.017 -31.035 1.00 22.22 H new ATOM 0 HG3 GLN A 31 -4.593 -1.062 -30.510 1.00 22.22 H new ATOM 0 HE21 GLN A 31 -2.406 -0.294 -33.192 1.00 43.25 H new ATOM 0 HE22 GLN A 31 -3.628 -0.372 -34.466 1.00 43.25 H new ATOM 489 N LEU A 32 -2.451 -0.331 -27.969 1.00 25.50 N ATOM 490 CA LEU A 32 -1.925 -1.486 -27.249 1.00 21.31 C ATOM 491 C LEU A 32 -2.065 -1.298 -25.742 1.00 4.03 C ATOM 492 O LEU A 32 -2.271 -2.260 -25.003 1.00 10.04 O ATOM 493 CB LEU A 32 -0.456 -1.713 -27.612 1.00 75.51 C ATOM 494 CG LEU A 32 -0.186 -2.221 -29.029 1.00 12.20 C ATOM 495 CD1 LEU A 32 0.415 -1.117 -29.886 1.00 20.35 C ATOM 496 CD2 LEU A 32 0.733 -3.433 -28.995 1.00 42.01 C ATOM 0 H LEU A 32 -1.760 0.392 -28.169 1.00 25.50 H new ATOM 0 HA LEU A 32 -2.505 -2.361 -27.543 1.00 21.31 H new ATOM 0 HB2 LEU A 32 0.081 -0.774 -27.476 1.00 75.51 H new ATOM 0 HB3 LEU A 32 -0.034 -2.427 -26.905 1.00 75.51 H new ATOM 0 HG LEU A 32 -1.135 -2.522 -29.474 1.00 12.20 H new ATOM 0 HD11 LEU A 32 0.600 -1.497 -30.891 1.00 20.35 H new ATOM 0 HD12 LEU A 32 -0.279 -0.278 -29.937 1.00 20.35 H new ATOM 0 HD13 LEU A 32 1.355 -0.784 -29.445 1.00 20.35 H new ATOM 0 HD21 LEU A 32 0.914 -3.781 -30.012 1.00 42.01 H new ATOM 0 HD22 LEU A 32 1.680 -3.158 -28.531 1.00 42.01 H new ATOM 0 HD23 LEU A 32 0.264 -4.229 -28.417 1.00 42.01 H new ATOM 508 N ALA A 33 -1.953 -0.052 -25.293 1.00 43.14 N ATOM 509 CA ALA A 33 -2.071 0.263 -23.875 1.00 42.22 C ATOM 510 C ALA A 33 -3.451 -0.107 -23.344 1.00 32.44 C ATOM 511 O ALA A 33 -3.578 -0.663 -22.252 1.00 50.05 O ATOM 512 CB ALA A 33 -1.790 1.740 -23.637 1.00 73.44 C ATOM 0 H ALA A 33 -1.781 0.756 -25.891 1.00 43.14 H new ATOM 0 HA ALA A 33 -1.332 -0.328 -23.334 1.00 42.22 H new ATOM 0 HB1 ALA A 33 -1.882 1.961 -22.574 1.00 73.44 H new ATOM 0 HB2 ALA A 33 -0.780 1.977 -23.971 1.00 73.44 H new ATOM 0 HB3 ALA A 33 -2.507 2.341 -24.196 1.00 73.44 H new ATOM 518 N SER A 34 -4.483 0.204 -24.121 1.00 50.52 N ATOM 519 CA SER A 34 -5.855 -0.092 -23.726 1.00 50.11 C ATOM 520 C SER A 34 -6.037 -1.585 -23.472 1.00 24.23 C ATOM 521 O SER A 34 -6.668 -1.988 -22.496 1.00 10.13 O ATOM 522 CB SER A 34 -6.832 0.375 -24.807 1.00 43.30 C ATOM 523 OG SER A 34 -6.586 1.724 -25.168 1.00 33.51 O ATOM 0 H SER A 34 -4.395 0.661 -25.029 1.00 50.52 H new ATOM 0 HA SER A 34 -6.064 0.445 -22.801 1.00 50.11 H new ATOM 0 HB2 SER A 34 -6.739 -0.263 -25.686 1.00 43.30 H new ATOM 0 HB3 SER A 34 -7.855 0.273 -24.446 1.00 43.30 H new ATOM 0 HG SER A 34 -5.956 1.752 -25.918 1.00 33.51 H new ATOM 529 N GLY A 35 -5.477 -2.403 -24.359 1.00 13.32 N ATOM 530 CA GLY A 35 -5.588 -3.842 -24.214 1.00 32.41 C ATOM 531 C GLY A 35 -4.717 -4.381 -23.097 1.00 31.53 C ATOM 532 O GLY A 35 -5.020 -5.421 -22.512 1.00 73.11 O ATOM 0 H GLY A 35 -4.949 -2.094 -25.175 1.00 13.32 H new ATOM 0 HA2 GLY A 35 -6.628 -4.105 -24.019 1.00 32.41 H new ATOM 0 HA3 GLY A 35 -5.308 -4.321 -25.152 1.00 32.41 H new ATOM 536 N GLN A 36 -3.631 -3.674 -22.801 1.00 15.00 N ATOM 537 CA GLN A 36 -2.713 -4.090 -21.748 1.00 3.31 C ATOM 538 C GLN A 36 -3.265 -3.733 -20.372 1.00 4.43 C ATOM 539 O GLN A 36 -2.877 -4.324 -19.365 1.00 24.20 O ATOM 540 CB GLN A 36 -1.345 -3.435 -21.948 1.00 2.05 C ATOM 541 CG GLN A 36 -0.529 -4.060 -23.067 1.00 64.23 C ATOM 542 CD GLN A 36 0.170 -5.335 -22.638 1.00 62.22 C ATOM 543 OE1 GLN A 36 0.277 -5.628 -21.447 1.00 11.31 O ATOM 544 NE2 GLN A 36 0.651 -6.103 -23.609 1.00 50.34 N ATOM 0 H GLN A 36 -3.366 -2.811 -23.275 1.00 15.00 H new ATOM 0 HA GLN A 36 -2.602 -5.173 -21.804 1.00 3.31 H new ATOM 0 HB2 GLN A 36 -1.486 -2.375 -22.161 1.00 2.05 H new ATOM 0 HB3 GLN A 36 -0.781 -3.501 -21.018 1.00 2.05 H new ATOM 0 HG2 GLN A 36 -1.183 -4.276 -23.912 1.00 64.23 H new ATOM 0 HG3 GLN A 36 0.214 -3.342 -23.414 1.00 64.23 H new ATOM 0 HE21 GLN A 36 0.540 -5.822 -24.583 1.00 50.34 H new ATOM 0 HE22 GLN A 36 1.131 -6.973 -23.380 1.00 50.34 H new ATOM 553 N GLU A 37 -4.171 -2.761 -20.337 1.00 13.00 N ATOM 554 CA GLU A 37 -4.775 -2.325 -19.083 1.00 40.13 C ATOM 555 C GLU A 37 -5.595 -3.448 -18.455 1.00 10.13 C ATOM 556 O GLU A 37 -5.943 -3.392 -17.276 1.00 2.44 O ATOM 557 CB GLU A 37 -5.662 -1.100 -19.317 1.00 70.35 C ATOM 558 CG GLU A 37 -7.077 -1.447 -19.748 1.00 72.34 C ATOM 559 CD GLU A 37 -8.039 -1.531 -18.579 1.00 70.22 C ATOM 560 OE1 GLU A 37 -7.583 -1.386 -17.425 1.00 74.34 O ATOM 561 OE2 GLU A 37 -9.246 -1.742 -18.817 1.00 55.24 O ATOM 0 H GLU A 37 -4.503 -2.261 -21.162 1.00 13.00 H new ATOM 0 HA GLU A 37 -3.972 -2.057 -18.396 1.00 40.13 H new ATOM 0 HB2 GLU A 37 -5.704 -0.512 -18.400 1.00 70.35 H new ATOM 0 HB3 GLU A 37 -5.203 -0.470 -20.079 1.00 70.35 H new ATOM 0 HG2 GLU A 37 -7.433 -0.696 -20.453 1.00 72.34 H new ATOM 0 HG3 GLU A 37 -7.068 -2.401 -20.276 1.00 72.34 H new ATOM 568 N ALA A 38 -5.901 -4.467 -19.251 1.00 44.35 N ATOM 569 CA ALA A 38 -6.678 -5.603 -18.774 1.00 31.41 C ATOM 570 C ALA A 38 -6.053 -6.208 -17.521 1.00 73.43 C ATOM 571 O ALA A 38 -6.693 -6.979 -16.807 1.00 12.34 O ATOM 572 CB ALA A 38 -6.800 -6.656 -19.866 1.00 51.41 C ATOM 0 H ALA A 38 -5.622 -4.529 -20.230 1.00 44.35 H new ATOM 0 HA ALA A 38 -7.675 -5.246 -18.516 1.00 31.41 H new ATOM 0 HB1 ALA A 38 -7.383 -7.499 -19.495 1.00 51.41 H new ATOM 0 HB2 ALA A 38 -7.298 -6.224 -20.734 1.00 51.41 H new ATOM 0 HB3 ALA A 38 -5.806 -7.000 -20.152 1.00 51.41 H new ATOM 578 N GLY A 39 -4.798 -5.855 -17.261 1.00 52.33 N ATOM 579 CA GLY A 39 -4.108 -6.373 -16.095 1.00 22.02 C ATOM 580 C GLY A 39 -5.039 -6.588 -14.918 1.00 62.21 C ATOM 581 O GLY A 39 -5.545 -5.629 -14.335 1.00 75.34 O ATOM 0 H GLY A 39 -4.247 -5.219 -17.838 1.00 52.33 H new ATOM 0 HA2 GLY A 39 -3.627 -7.317 -16.351 1.00 22.02 H new ATOM 0 HA3 GLY A 39 -3.317 -5.680 -15.807 1.00 22.02 H new ATOM 585 N ASP A 40 -5.266 -7.849 -14.569 1.00 32.53 N ATOM 586 CA ASP A 40 -6.144 -8.188 -13.454 1.00 45.20 C ATOM 587 C ASP A 40 -5.760 -7.403 -12.203 1.00 61.41 C ATOM 588 O ASP A 40 -6.597 -6.781 -11.550 1.00 35.24 O ATOM 589 CB ASP A 40 -6.084 -9.689 -13.168 1.00 31.11 C ATOM 590 CG ASP A 40 -7.138 -10.466 -13.932 1.00 63.33 C ATOM 591 OD1 ASP A 40 -8.338 -10.273 -13.650 1.00 15.31 O ATOM 592 OD2 ASP A 40 -6.762 -11.269 -14.812 1.00 45.35 O ATOM 0 H ASP A 40 -4.855 -8.654 -15.042 1.00 32.53 H new ATOM 0 HA ASP A 40 -7.163 -7.920 -13.731 1.00 45.20 H new ATOM 0 HB2 ASP A 40 -5.096 -10.067 -13.431 1.00 31.11 H new ATOM 0 HB3 ASP A 40 -6.216 -9.858 -12.099 1.00 31.11 H new ATOM 597 N PRO A 41 -4.464 -7.433 -11.860 1.00 24.31 N ATOM 598 CA PRO A 41 -3.939 -6.731 -10.685 1.00 15.11 C ATOM 599 C PRO A 41 -3.960 -5.216 -10.858 1.00 63.02 C ATOM 600 O PRO A 41 -4.230 -4.710 -11.946 1.00 44.53 O ATOM 601 CB PRO A 41 -2.499 -7.238 -10.582 1.00 21.13 C ATOM 602 CG PRO A 41 -2.140 -7.644 -11.969 1.00 70.34 C ATOM 603 CD PRO A 41 -3.410 -8.155 -12.593 1.00 4.41 C ATOM 0 HA PRO A 41 -4.537 -6.924 -9.794 1.00 15.11 H new ATOM 0 HB2 PRO A 41 -1.831 -6.460 -10.212 1.00 21.13 H new ATOM 0 HB3 PRO A 41 -2.424 -8.078 -9.892 1.00 21.13 H new ATOM 0 HG2 PRO A 41 -1.741 -6.800 -12.532 1.00 70.34 H new ATOM 0 HG3 PRO A 41 -1.370 -8.416 -11.963 1.00 70.34 H new ATOM 0 HD2 PRO A 41 -3.446 -7.943 -13.662 1.00 4.41 H new ATOM 0 HD3 PRO A 41 -3.508 -9.235 -12.478 1.00 4.41 H new ATOM 611 N GLY A 42 -3.672 -4.497 -9.777 1.00 64.23 N ATOM 612 CA GLY A 42 -3.662 -3.047 -9.832 1.00 31.03 C ATOM 613 C GLY A 42 -2.338 -2.494 -10.321 1.00 12.12 C ATOM 614 O GLY A 42 -2.248 -1.326 -10.701 1.00 54.13 O ATOM 0 H GLY A 42 -3.446 -4.893 -8.865 1.00 64.23 H new ATOM 0 HA2 GLY A 42 -4.460 -2.706 -10.491 1.00 31.03 H new ATOM 0 HA3 GLY A 42 -3.875 -2.647 -8.840 1.00 31.03 H new ATOM 618 N CYS A 43 -1.308 -3.333 -10.310 1.00 13.44 N ATOM 619 CA CYS A 43 0.019 -2.920 -10.753 1.00 54.02 C ATOM 620 C CYS A 43 -0.016 -2.444 -12.202 1.00 20.50 C ATOM 621 O CYS A 43 0.891 -1.748 -12.660 1.00 61.42 O ATOM 622 CB CYS A 43 1.010 -4.075 -10.606 1.00 43.03 C ATOM 623 SG CYS A 43 0.640 -5.503 -11.651 1.00 60.25 S ATOM 0 H CYS A 43 -1.366 -4.303 -9.999 1.00 13.44 H new ATOM 0 HA CYS A 43 0.344 -2.090 -10.125 1.00 54.02 H new ATOM 0 HB2 CYS A 43 2.010 -3.714 -10.844 1.00 43.03 H new ATOM 0 HB3 CYS A 43 1.026 -4.395 -9.564 1.00 43.03 H new ATOM 0 HG CYS A 43 1.535 -6.426 -11.457 1.00 60.25 H new ATOM 629 N LEU A 44 -1.067 -2.826 -12.919 1.00 52.32 N ATOM 630 CA LEU A 44 -1.220 -2.440 -14.318 1.00 2.23 C ATOM 631 C LEU A 44 -1.941 -1.101 -14.438 1.00 35.44 C ATOM 632 O LEU A 44 -1.879 -0.440 -15.474 1.00 61.34 O ATOM 633 CB LEU A 44 -1.989 -3.517 -15.084 1.00 33.44 C ATOM 634 CG LEU A 44 -1.359 -3.988 -16.395 1.00 55.32 C ATOM 635 CD1 LEU A 44 -1.200 -2.822 -17.359 1.00 24.03 C ATOM 636 CD2 LEU A 44 -0.016 -4.654 -16.133 1.00 55.43 C ATOM 0 H LEU A 44 -1.826 -3.402 -12.555 1.00 52.32 H new ATOM 0 HA LEU A 44 -0.225 -2.336 -14.751 1.00 2.23 H new ATOM 0 HB2 LEU A 44 -2.111 -4.382 -14.431 1.00 33.44 H new ATOM 0 HB3 LEU A 44 -2.988 -3.138 -15.300 1.00 33.44 H new ATOM 0 HG LEU A 44 -2.022 -4.723 -16.852 1.00 55.32 H new ATOM 0 HD11 LEU A 44 -0.750 -3.176 -18.287 1.00 24.03 H new ATOM 0 HD12 LEU A 44 -2.178 -2.390 -17.572 1.00 24.03 H new ATOM 0 HD13 LEU A 44 -0.558 -2.064 -16.910 1.00 24.03 H new ATOM 0 HD21 LEU A 44 0.417 -4.983 -17.077 1.00 55.43 H new ATOM 0 HD22 LEU A 44 0.656 -3.942 -15.654 1.00 55.43 H new ATOM 0 HD23 LEU A 44 -0.158 -5.515 -15.480 1.00 55.43 H new ATOM 648 N LYS A 45 -2.625 -0.706 -13.369 1.00 73.02 N ATOM 649 CA LYS A 45 -3.357 0.555 -13.352 1.00 5.32 C ATOM 650 C LYS A 45 -2.421 1.731 -13.615 1.00 64.55 C ATOM 651 O LYS A 45 -2.717 2.626 -14.407 1.00 31.21 O ATOM 652 CB LYS A 45 -4.060 0.742 -12.006 1.00 12.14 C ATOM 653 CG LYS A 45 -5.520 1.142 -12.133 1.00 2.53 C ATOM 654 CD LYS A 45 -6.441 -0.057 -11.991 1.00 35.21 C ATOM 655 CE LYS A 45 -6.649 -0.761 -13.323 1.00 64.51 C ATOM 656 NZ LYS A 45 -8.092 -0.884 -13.667 1.00 52.44 N ATOM 0 H LYS A 45 -2.688 -1.241 -12.503 1.00 73.02 H new ATOM 0 HA LYS A 45 -4.104 0.523 -14.145 1.00 5.32 H new ATOM 0 HB2 LYS A 45 -3.994 -0.187 -11.439 1.00 12.14 H new ATOM 0 HB3 LYS A 45 -3.532 1.504 -11.432 1.00 12.14 H new ATOM 0 HG2 LYS A 45 -5.763 1.881 -11.370 1.00 2.53 H new ATOM 0 HG3 LYS A 45 -5.685 1.616 -13.100 1.00 2.53 H new ATOM 0 HD2 LYS A 45 -6.020 -0.757 -11.270 1.00 35.21 H new ATOM 0 HD3 LYS A 45 -7.404 0.267 -11.595 1.00 35.21 H new ATOM 0 HE2 LYS A 45 -6.134 -0.209 -14.109 1.00 64.51 H new ATOM 0 HE3 LYS A 45 -6.200 -1.753 -13.283 1.00 64.51 H new ATOM 0 HZ1 LYS A 45 -8.191 -1.369 -14.582 1.00 52.44 H new ATOM 0 HZ2 LYS A 45 -8.579 -1.432 -12.930 1.00 52.44 H new ATOM 0 HZ3 LYS A 45 -8.516 0.064 -13.730 1.00 52.44 H new ATOM 670 N PRO A 46 -1.262 1.729 -12.939 1.00 54.10 N ATOM 671 CA PRO A 46 -0.259 2.788 -13.086 1.00 22.54 C ATOM 672 C PRO A 46 0.424 2.754 -14.449 1.00 2.15 C ATOM 673 O PRO A 46 1.005 3.747 -14.888 1.00 11.50 O ATOM 674 CB PRO A 46 0.748 2.478 -11.975 1.00 62.21 C ATOM 675 CG PRO A 46 0.605 1.015 -11.731 1.00 13.22 C ATOM 676 CD PRO A 46 -0.843 0.694 -11.979 1.00 71.14 C ATOM 0 HA PRO A 46 -0.701 3.782 -13.015 1.00 22.54 H new ATOM 0 HB2 PRO A 46 1.764 2.731 -12.279 1.00 62.21 H new ATOM 0 HB3 PRO A 46 0.533 3.052 -11.074 1.00 62.21 H new ATOM 0 HG2 PRO A 46 1.251 0.443 -12.397 1.00 13.22 H new ATOM 0 HG3 PRO A 46 0.892 0.759 -10.711 1.00 13.22 H new ATOM 0 HD2 PRO A 46 -0.968 -0.308 -12.389 1.00 71.14 H new ATOM 0 HD3 PRO A 46 -1.428 0.738 -11.060 1.00 71.14 H new ATOM 684 N LEU A 47 0.351 1.607 -15.114 1.00 32.53 N ATOM 685 CA LEU A 47 0.962 1.444 -16.428 1.00 70.23 C ATOM 686 C LEU A 47 -0.005 1.856 -17.533 1.00 52.53 C ATOM 687 O LEU A 47 0.412 2.263 -18.618 1.00 61.34 O ATOM 688 CB LEU A 47 1.399 -0.008 -16.633 1.00 50.32 C ATOM 689 CG LEU A 47 1.772 -0.401 -18.063 1.00 40.10 C ATOM 690 CD1 LEU A 47 3.018 0.345 -18.514 1.00 23.02 C ATOM 691 CD2 LEU A 47 1.982 -1.905 -18.165 1.00 41.30 C ATOM 0 H LEU A 47 -0.126 0.776 -14.765 1.00 32.53 H new ATOM 0 HA LEU A 47 1.838 2.091 -16.477 1.00 70.23 H new ATOM 0 HB2 LEU A 47 2.256 -0.203 -15.989 1.00 50.32 H new ATOM 0 HB3 LEU A 47 0.593 -0.660 -16.297 1.00 50.32 H new ATOM 0 HG LEU A 47 0.949 -0.124 -18.722 1.00 40.10 H new ATOM 0 HD11 LEU A 47 3.268 0.052 -19.534 1.00 23.02 H new ATOM 0 HD12 LEU A 47 2.832 1.418 -18.480 1.00 23.02 H new ATOM 0 HD13 LEU A 47 3.849 0.100 -17.852 1.00 23.02 H new ATOM 0 HD21 LEU A 47 2.247 -2.167 -19.189 1.00 41.30 H new ATOM 0 HD22 LEU A 47 2.786 -2.206 -17.494 1.00 41.30 H new ATOM 0 HD23 LEU A 47 1.063 -2.420 -17.885 1.00 41.30 H new ATOM 703 N HIS A 48 -1.300 1.752 -17.249 1.00 64.44 N ATOM 704 CA HIS A 48 -2.327 2.117 -18.218 1.00 62.24 C ATOM 705 C HIS A 48 -2.620 3.613 -18.162 1.00 21.03 C ATOM 706 O HIS A 48 -2.765 4.266 -19.195 1.00 22.53 O ATOM 707 CB HIS A 48 -3.608 1.324 -17.958 1.00 50.02 C ATOM 708 CG HIS A 48 -4.810 1.883 -18.655 1.00 71.24 C ATOM 709 ND1 HIS A 48 -4.824 2.195 -19.998 1.00 61.35 N ATOM 710 CD2 HIS A 48 -6.044 2.184 -18.188 1.00 72.21 C ATOM 711 CE1 HIS A 48 -6.014 2.665 -20.327 1.00 1.12 C ATOM 712 NE2 HIS A 48 -6.773 2.668 -19.246 1.00 53.41 N ATOM 0 H HIS A 48 -1.662 1.418 -16.356 1.00 64.44 H new ATOM 0 HA HIS A 48 -1.955 1.875 -19.213 1.00 62.24 H new ATOM 0 HB2 HIS A 48 -3.459 0.293 -18.279 1.00 50.02 H new ATOM 0 HB3 HIS A 48 -3.799 1.299 -16.885 1.00 50.02 H new ATOM 0 HD2 HIS A 48 -6.391 2.066 -17.172 1.00 72.21 H new ATOM 0 HE1 HIS A 48 -6.315 2.991 -21.312 1.00 1.12 H new ATOM 0 HE2 HIS A 48 -7.743 2.979 -19.204 1.00 53.41 H new ATOM 720 N GLU A 49 -2.706 4.149 -16.948 1.00 74.31 N ATOM 721 CA GLU A 49 -2.984 5.568 -16.758 1.00 61.51 C ATOM 722 C GLU A 49 -1.996 6.425 -17.543 1.00 45.11 C ATOM 723 O GLU A 49 -2.373 7.422 -18.159 1.00 10.20 O ATOM 724 CB GLU A 49 -2.921 5.928 -15.272 1.00 61.14 C ATOM 725 CG GLU A 49 -1.721 5.335 -14.553 1.00 34.44 C ATOM 726 CD GLU A 49 -0.651 6.367 -14.254 1.00 34.44 C ATOM 727 OE1 GLU A 49 -0.313 7.150 -15.165 1.00 44.23 O ATOM 728 OE2 GLU A 49 -0.153 6.391 -13.109 1.00 62.21 O ATOM 0 H GLU A 49 -2.587 3.622 -16.082 1.00 74.31 H new ATOM 0 HA GLU A 49 -3.988 5.769 -17.131 1.00 61.51 H new ATOM 0 HB2 GLU A 49 -2.895 7.013 -15.170 1.00 61.14 H new ATOM 0 HB3 GLU A 49 -3.833 5.584 -14.784 1.00 61.14 H new ATOM 0 HG2 GLU A 49 -2.051 4.878 -13.620 1.00 34.44 H new ATOM 0 HG3 GLU A 49 -1.293 4.540 -15.163 1.00 34.44 H new ATOM 735 N LYS A 50 -0.727 6.030 -17.516 1.00 11.31 N ATOM 736 CA LYS A 50 0.317 6.760 -18.224 1.00 44.44 C ATOM 737 C LYS A 50 -0.047 6.942 -19.694 1.00 72.04 C ATOM 738 O LYS A 50 0.115 8.026 -20.254 1.00 52.34 O ATOM 739 CB LYS A 50 1.653 6.023 -18.107 1.00 2.04 C ATOM 740 CG LYS A 50 2.514 6.121 -19.354 1.00 42.20 C ATOM 741 CD LYS A 50 2.893 7.561 -19.659 1.00 35.14 C ATOM 742 CE LYS A 50 4.228 7.931 -19.032 1.00 63.31 C ATOM 743 NZ LYS A 50 4.709 9.261 -19.497 1.00 5.23 N ATOM 0 H LYS A 50 -0.397 5.208 -17.011 1.00 11.31 H new ATOM 0 HA LYS A 50 0.410 7.745 -17.766 1.00 44.44 H new ATOM 0 HB2 LYS A 50 2.208 6.427 -17.260 1.00 2.04 H new ATOM 0 HB3 LYS A 50 1.461 4.972 -17.890 1.00 2.04 H new ATOM 0 HG2 LYS A 50 3.418 5.526 -19.221 1.00 42.20 H new ATOM 0 HG3 LYS A 50 1.976 5.698 -20.203 1.00 42.20 H new ATOM 0 HD2 LYS A 50 2.945 7.704 -20.738 1.00 35.14 H new ATOM 0 HD3 LYS A 50 2.117 8.229 -19.286 1.00 35.14 H new ATOM 0 HE2 LYS A 50 4.130 7.940 -17.946 1.00 63.31 H new ATOM 0 HE3 LYS A 50 4.969 7.170 -19.279 1.00 63.31 H new ATOM 0 HZ1 LYS A 50 5.621 9.477 -19.047 1.00 5.23 H new ATOM 0 HZ2 LYS A 50 4.827 9.246 -20.530 1.00 5.23 H new ATOM 0 HZ3 LYS A 50 4.015 9.991 -19.239 1.00 5.23 H new ATOM 757 N ASP A 51 -0.541 5.875 -20.313 1.00 0.12 N ATOM 758 CA ASP A 51 -0.931 5.918 -21.717 1.00 71.23 C ATOM 759 C ASP A 51 -2.279 6.612 -21.886 1.00 42.31 C ATOM 760 O ASP A 51 -2.627 7.056 -22.980 1.00 70.12 O ATOM 761 CB ASP A 51 -0.997 4.503 -22.294 1.00 21.43 C ATOM 762 CG ASP A 51 0.152 3.632 -21.825 1.00 5.44 C ATOM 763 OD1 ASP A 51 1.314 3.956 -22.151 1.00 51.00 O ATOM 764 OD2 ASP A 51 -0.109 2.628 -21.130 1.00 52.22 O ATOM 0 H ASP A 51 -0.681 4.970 -19.864 1.00 0.12 H new ATOM 0 HA ASP A 51 -0.178 6.489 -22.260 1.00 71.23 H new ATOM 0 HB2 ASP A 51 -1.941 4.040 -22.006 1.00 21.43 H new ATOM 0 HB3 ASP A 51 -0.987 4.557 -23.383 1.00 21.43 H new ATOM 769 N SER A 52 -3.033 6.702 -20.795 1.00 73.24 N ATOM 770 CA SER A 52 -4.345 7.338 -20.824 1.00 32.23 C ATOM 771 C SER A 52 -4.214 8.845 -21.018 1.00 10.44 C ATOM 772 O SER A 52 -4.996 9.458 -21.743 1.00 51.43 O ATOM 773 CB SER A 52 -5.106 7.043 -19.530 1.00 33.13 C ATOM 774 OG SER A 52 -5.728 5.770 -19.582 1.00 45.41 O ATOM 0 H SER A 52 -2.758 6.343 -19.881 1.00 73.24 H new ATOM 0 HA SER A 52 -4.902 6.928 -21.667 1.00 32.23 H new ATOM 0 HB2 SER A 52 -4.420 7.081 -18.684 1.00 33.13 H new ATOM 0 HB3 SER A 52 -5.860 7.813 -19.364 1.00 33.13 H new ATOM 0 HG SER A 52 -6.206 5.605 -18.743 1.00 45.41 H new ATOM 780 N GLU A 53 -3.219 9.436 -20.363 1.00 30.44 N ATOM 781 CA GLU A 53 -2.986 10.872 -20.462 1.00 64.41 C ATOM 782 C GLU A 53 -2.720 11.281 -21.908 1.00 70.31 C ATOM 783 O GLU A 53 -3.176 12.330 -22.361 1.00 53.32 O ATOM 784 CB GLU A 53 -1.805 11.281 -19.580 1.00 3.14 C ATOM 785 CG GLU A 53 -2.001 12.617 -18.882 1.00 23.53 C ATOM 786 CD GLU A 53 -1.326 12.670 -17.525 1.00 1.32 C ATOM 787 OE1 GLU A 53 -0.642 11.689 -17.164 1.00 13.43 O ATOM 788 OE2 GLU A 53 -1.481 13.692 -16.824 1.00 53.24 O ATOM 0 H GLU A 53 -2.562 8.943 -19.759 1.00 30.44 H new ATOM 0 HA GLU A 53 -3.884 11.385 -20.116 1.00 64.41 H new ATOM 0 HB2 GLU A 53 -1.639 10.509 -18.829 1.00 3.14 H new ATOM 0 HB3 GLU A 53 -0.904 11.329 -20.192 1.00 3.14 H new ATOM 0 HG2 GLU A 53 -1.605 13.414 -19.512 1.00 23.53 H new ATOM 0 HG3 GLU A 53 -3.068 12.807 -18.761 1.00 23.53 H new ATOM 795 N SER A 54 -1.978 10.444 -22.627 1.00 13.11 N ATOM 796 CA SER A 54 -1.648 10.720 -24.020 1.00 65.10 C ATOM 797 C SER A 54 -2.769 10.259 -24.946 1.00 62.22 C ATOM 798 O SER A 54 -2.878 10.716 -26.083 1.00 62.01 O ATOM 799 CB SER A 54 -0.338 10.027 -24.402 1.00 41.41 C ATOM 800 OG SER A 54 0.472 9.803 -23.261 1.00 41.32 O ATOM 0 H SER A 54 -1.594 9.570 -22.268 1.00 13.11 H new ATOM 0 HA SER A 54 -1.528 11.797 -24.133 1.00 65.10 H new ATOM 0 HB2 SER A 54 -0.555 9.077 -24.890 1.00 41.41 H new ATOM 0 HB3 SER A 54 0.204 10.639 -25.122 1.00 41.41 H new ATOM 0 HG SER A 54 1.302 9.358 -23.531 1.00 41.32 H new ATOM 806 N GLY A 55 -3.601 9.349 -24.450 1.00 34.53 N ATOM 807 CA GLY A 55 -4.704 8.840 -25.245 1.00 23.53 C ATOM 808 C GLY A 55 -5.636 9.939 -25.714 1.00 32.42 C ATOM 809 O GLY A 55 -6.536 9.698 -26.517 1.00 34.20 O ATOM 0 H GLY A 55 -3.531 8.955 -23.512 1.00 34.53 H new ATOM 0 HA2 GLY A 55 -4.309 8.309 -26.111 1.00 23.53 H new ATOM 0 HA3 GLY A 55 -5.268 8.116 -24.657 1.00 23.53 H new ATOM 813 N GLY A 56 -5.422 11.150 -25.210 1.00 4.24 N ATOM 814 CA GLY A 56 -6.259 12.272 -25.592 1.00 73.21 C ATOM 815 C GLY A 56 -6.496 12.335 -27.088 1.00 41.20 C ATOM 816 O GLY A 56 -7.563 12.750 -27.538 1.00 32.02 O ATOM 0 H GLY A 56 -4.683 11.374 -24.543 1.00 4.24 H new ATOM 0 HA2 GLY A 56 -7.217 12.198 -25.078 1.00 73.21 H new ATOM 0 HA3 GLY A 56 -5.791 13.199 -25.262 1.00 73.21 H new ATOM 820 N GLY A 57 -5.496 11.924 -27.862 1.00 21.21 N ATOM 821 CA GLY A 57 -5.620 11.945 -29.308 1.00 5.53 C ATOM 822 C GLY A 57 -6.765 11.086 -29.805 1.00 12.44 C ATOM 823 O GLY A 57 -7.493 11.476 -30.718 1.00 12.12 O ATOM 0 H GLY A 57 -4.602 11.577 -27.514 1.00 21.21 H new ATOM 0 HA2 GLY A 57 -5.769 12.972 -29.642 1.00 5.53 H new ATOM 0 HA3 GLY A 57 -4.689 11.597 -29.754 1.00 5.53 H new ATOM 827 N LYS A 58 -6.926 9.912 -29.204 1.00 1.11 N ATOM 828 CA LYS A 58 -7.991 8.994 -29.590 1.00 63.11 C ATOM 829 C LYS A 58 -9.293 9.339 -28.875 1.00 1.13 C ATOM 830 O LYS A 58 -10.381 9.112 -29.403 1.00 54.32 O ATOM 831 CB LYS A 58 -7.589 7.552 -29.273 1.00 23.25 C ATOM 832 CG LYS A 58 -8.616 6.523 -29.712 1.00 14.23 C ATOM 833 CD LYS A 58 -9.021 5.614 -28.564 1.00 20.14 C ATOM 834 CE LYS A 58 -9.752 6.383 -27.474 1.00 4.51 C ATOM 835 NZ LYS A 58 -10.522 5.478 -26.577 1.00 1.22 N ATOM 0 H LYS A 58 -6.332 9.574 -28.447 1.00 1.11 H new ATOM 0 HA LYS A 58 -8.150 9.093 -30.664 1.00 63.11 H new ATOM 0 HB2 LYS A 58 -6.638 7.334 -29.759 1.00 23.25 H new ATOM 0 HB3 LYS A 58 -7.428 7.457 -28.199 1.00 23.25 H new ATOM 0 HG2 LYS A 58 -9.497 7.031 -30.103 1.00 14.23 H new ATOM 0 HG3 LYS A 58 -8.207 5.923 -30.525 1.00 14.23 H new ATOM 0 HD2 LYS A 58 -9.661 4.816 -28.939 1.00 20.14 H new ATOM 0 HD3 LYS A 58 -8.134 5.140 -28.144 1.00 20.14 H new ATOM 0 HE2 LYS A 58 -9.032 6.951 -26.885 1.00 4.51 H new ATOM 0 HE3 LYS A 58 -10.430 7.104 -27.931 1.00 4.51 H new ATOM 0 HZ1 LYS A 58 -11.005 6.041 -25.848 1.00 1.22 H new ATOM 0 HZ2 LYS A 58 -11.227 4.954 -27.134 1.00 1.22 H new ATOM 0 HZ3 LYS A 58 -9.872 4.806 -26.121 1.00 1.22 H new ATOM 849 N ASP A 59 -9.174 9.889 -27.672 1.00 4.54 N ATOM 850 CA ASP A 59 -10.342 10.268 -26.885 1.00 4.50 C ATOM 851 C ASP A 59 -11.028 11.491 -27.486 1.00 11.11 C ATOM 852 O ASP A 59 -12.255 11.565 -27.536 1.00 31.14 O ATOM 853 CB ASP A 59 -9.937 10.555 -25.438 1.00 34.01 C ATOM 854 CG ASP A 59 -10.782 11.643 -24.806 1.00 11.55 C ATOM 855 OD1 ASP A 59 -12.024 11.507 -24.807 1.00 2.53 O ATOM 856 OD2 ASP A 59 -10.202 12.631 -24.309 1.00 23.14 O ATOM 0 H ASP A 59 -8.280 10.083 -27.220 1.00 4.54 H new ATOM 0 HA ASP A 59 -11.045 9.435 -26.899 1.00 4.50 H new ATOM 0 HB2 ASP A 59 -10.027 9.641 -24.850 1.00 34.01 H new ATOM 0 HB3 ASP A 59 -8.888 10.850 -25.409 1.00 34.01 H new ATOM 861 N GLY A 60 -10.227 12.450 -27.941 1.00 22.31 N ATOM 862 CA GLY A 60 -10.775 13.657 -28.531 1.00 71.22 C ATOM 863 C GLY A 60 -11.375 13.411 -29.902 1.00 3.34 C ATOM 864 O GLY A 60 -11.073 12.408 -30.548 1.00 4.21 O ATOM 0 H GLY A 60 -9.208 12.412 -27.911 1.00 22.31 H new ATOM 0 HA2 GLY A 60 -11.540 14.066 -27.871 1.00 71.22 H new ATOM 0 HA3 GLY A 60 -9.989 14.408 -28.611 1.00 71.22 H new