USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 436 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 10 ASN : amide:sc= 0.00467 K(o=0.0047,f=-3.5) USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= -0.0713 (180deg=-0.382) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.153) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.793 F(o=-1.5,f=-0.79) USER MOD Single : A 29 HIS : no HD1:sc= 0.125 K(o=0.13,f=-3.4) USER MOD Single : A 31 THR OG1 : rot -90:sc= 0.0791 USER MOD Single : A 42 ASN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.385 X(o=-0.39,f=-0.7) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0623) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 0.949 0.145 -3.849 1.00 13.53 N ATOM 19 CA LYS A 2 0.220 -0.333 -5.018 1.00 11.55 C ATOM 20 C LYS A 2 1.153 -0.492 -6.213 1.00 44.33 C ATOM 21 O LYS A 2 2.133 0.241 -6.351 1.00 40.34 O ATOM 22 CB LYS A 2 -0.914 0.634 -5.367 1.00 71.24 C ATOM 23 CG LYS A 2 -1.937 0.798 -4.257 1.00 12.51 C ATOM 24 CD LYS A 2 -2.625 -0.517 -3.932 1.00 63.25 C ATOM 25 CE LYS A 2 -3.998 -0.292 -3.319 1.00 1.04 C ATOM 26 NZ LYS A 2 -4.959 0.277 -4.304 1.00 33.44 N ATOM 0 HA LYS A 2 -0.203 -1.308 -4.778 1.00 11.55 H new ATOM 0 HB2 LYS A 2 -0.489 1.609 -5.604 1.00 71.24 H new ATOM 0 HB3 LYS A 2 -1.419 0.279 -6.265 1.00 71.24 H new ATOM 0 HG2 LYS A 2 -1.446 1.183 -3.363 1.00 12.51 H new ATOM 0 HG3 LYS A 2 -2.682 1.536 -4.554 1.00 12.51 H new ATOM 0 HD2 LYS A 2 -2.724 -1.111 -4.841 1.00 63.25 H new ATOM 0 HD3 LYS A 2 -2.007 -1.091 -3.242 1.00 63.25 H new ATOM 0 HE2 LYS A 2 -4.385 -1.237 -2.938 1.00 1.04 H new ATOM 0 HE3 LYS A 2 -3.909 0.382 -2.467 1.00 1.04 H new ATOM 0 HZ1 LYS A 2 -5.932 0.091 -3.987 1.00 33.44 H new ATOM 0 HZ2 LYS A 2 -4.811 1.303 -4.381 1.00 33.44 H new ATOM 0 HZ3 LYS A 2 -4.807 -0.165 -5.233 1.00 33.44 H new ATOM 40 N LYS A 3 0.843 -1.453 -7.077 1.00 0.24 N ATOM 41 CA LYS A 3 1.652 -1.707 -8.263 1.00 11.02 C ATOM 42 C LYS A 3 0.781 -1.762 -9.514 1.00 10.32 C ATOM 43 O LYS A 3 -0.221 -2.475 -9.554 1.00 1.42 O ATOM 44 CB LYS A 3 2.423 -3.020 -8.108 1.00 2.43 C ATOM 45 CG LYS A 3 3.203 -3.117 -6.808 1.00 34.24 C ATOM 46 CD LYS A 3 4.441 -3.984 -6.964 1.00 0.45 C ATOM 47 CE LYS A 3 4.125 -5.454 -6.735 1.00 41.21 C ATOM 48 NZ LYS A 3 5.305 -6.201 -6.219 1.00 23.01 N ATOM 0 H LYS A 3 0.036 -2.069 -6.978 1.00 0.24 H new ATOM 0 HA LYS A 3 2.361 -0.886 -8.371 1.00 11.02 H new ATOM 0 HB2 LYS A 3 1.722 -3.852 -8.164 1.00 2.43 H new ATOM 0 HB3 LYS A 3 3.113 -3.128 -8.945 1.00 2.43 H new ATOM 0 HG2 LYS A 3 3.496 -2.119 -6.483 1.00 34.24 H new ATOM 0 HG3 LYS A 3 2.563 -3.531 -6.029 1.00 34.24 H new ATOM 0 HD2 LYS A 3 4.856 -3.851 -7.963 1.00 0.45 H new ATOM 0 HD3 LYS A 3 5.204 -3.660 -6.257 1.00 0.45 H new ATOM 0 HE2 LYS A 3 3.301 -5.542 -6.027 1.00 41.21 H new ATOM 0 HE3 LYS A 3 3.791 -5.904 -7.670 1.00 41.21 H new ATOM 0 HZ1 LYS A 3 5.049 -7.199 -6.076 1.00 23.01 H new ATOM 0 HZ2 LYS A 3 6.083 -6.138 -6.906 1.00 23.01 H new ATOM 0 HZ3 LYS A 3 5.608 -5.788 -5.314 1.00 23.01 H new ATOM 62 N GLY A 4 1.171 -1.004 -10.535 1.00 20.41 N ATOM 63 CA GLY A 4 0.415 -0.983 -11.774 1.00 3.24 C ATOM 64 C GLY A 4 1.176 -0.321 -12.905 1.00 40.04 C ATOM 65 O GLY A 4 2.242 0.258 -12.693 1.00 10.02 O ATOM 0 H GLY A 4 1.996 -0.405 -10.526 1.00 20.41 H new ATOM 0 HA2 GLY A 4 0.162 -2.004 -12.059 1.00 3.24 H new ATOM 0 HA3 GLY A 4 -0.525 -0.454 -11.614 1.00 3.24 H new ATOM 69 N THR A 5 0.629 -0.407 -14.114 1.00 70.01 N ATOM 70 CA THR A 5 1.264 0.185 -15.284 1.00 41.54 C ATOM 71 C THR A 5 0.895 1.658 -15.424 1.00 20.11 C ATOM 72 O THR A 5 -0.218 2.064 -15.088 1.00 44.00 O ATOM 73 CB THR A 5 0.867 -0.556 -16.575 1.00 21.12 C ATOM 74 OG1 THR A 5 -0.550 -0.756 -16.609 1.00 34.14 O ATOM 75 CG2 THR A 5 1.576 -1.899 -16.667 1.00 42.23 C ATOM 0 H THR A 5 -0.253 -0.881 -14.308 1.00 70.01 H new ATOM 0 HA THR A 5 2.340 0.095 -15.138 1.00 41.54 H new ATOM 0 HB THR A 5 1.168 0.055 -17.426 1.00 21.12 H new ATOM 0 HG1 THR A 5 -0.794 -1.226 -17.433 1.00 34.14 H new ATOM 0 HG21 THR A 5 1.280 -2.404 -17.586 1.00 42.23 H new ATOM 0 HG22 THR A 5 2.655 -1.742 -16.670 1.00 42.23 H new ATOM 0 HG23 THR A 5 1.302 -2.515 -15.810 1.00 42.23 H new ATOM 83 N VAL A 6 1.835 2.454 -15.922 1.00 44.33 N ATOM 84 CA VAL A 6 1.608 3.882 -16.108 1.00 41.51 C ATOM 85 C VAL A 6 0.962 4.165 -17.460 1.00 32.23 C ATOM 86 O VAL A 6 1.252 3.495 -18.451 1.00 52.13 O ATOM 87 CB VAL A 6 2.923 4.678 -16.004 1.00 13.32 C ATOM 88 CG1 VAL A 6 3.529 4.891 -17.383 1.00 11.55 C ATOM 89 CG2 VAL A 6 2.686 6.009 -15.305 1.00 73.41 C ATOM 0 H VAL A 6 2.762 2.134 -16.204 1.00 44.33 H new ATOM 0 HA VAL A 6 0.934 4.201 -15.313 1.00 41.51 H new ATOM 0 HB VAL A 6 3.630 4.101 -15.408 1.00 13.32 H new ATOM 0 HG11 VAL A 6 4.457 5.455 -17.289 1.00 11.55 H new ATOM 0 HG12 VAL A 6 3.736 3.925 -17.843 1.00 11.55 H new ATOM 0 HG13 VAL A 6 2.828 5.446 -18.007 1.00 11.55 H new ATOM 0 HG21 VAL A 6 3.625 6.558 -15.240 1.00 73.41 H new ATOM 0 HG22 VAL A 6 1.962 6.594 -15.872 1.00 73.41 H new ATOM 0 HG23 VAL A 6 2.301 5.829 -14.301 1.00 73.41 H new ATOM 99 N LYS A 7 0.084 5.162 -17.493 1.00 32.53 N ATOM 100 CA LYS A 7 -0.604 5.536 -18.723 1.00 21.41 C ATOM 101 C LYS A 7 0.064 6.743 -19.374 1.00 34.22 C ATOM 102 O LYS A 7 0.041 6.892 -20.596 1.00 3.05 O ATOM 103 CB LYS A 7 -2.075 5.846 -18.435 1.00 45.01 C ATOM 104 CG LYS A 7 -2.937 5.914 -19.683 1.00 53.13 C ATOM 105 CD LYS A 7 -3.319 4.527 -20.174 1.00 10.54 C ATOM 106 CE LYS A 7 -4.274 3.839 -19.210 1.00 63.13 C ATOM 107 NZ LYS A 7 -5.208 2.920 -19.917 1.00 71.14 N ATOM 0 H LYS A 7 -0.168 5.726 -16.681 1.00 32.53 H new ATOM 0 HA LYS A 7 -0.545 4.695 -19.413 1.00 21.41 H new ATOM 0 HB2 LYS A 7 -2.475 5.082 -17.768 1.00 45.01 H new ATOM 0 HB3 LYS A 7 -2.141 6.797 -17.906 1.00 45.01 H new ATOM 0 HG2 LYS A 7 -3.840 6.487 -19.472 1.00 53.13 H new ATOM 0 HG3 LYS A 7 -2.399 6.444 -20.469 1.00 53.13 H new ATOM 0 HD2 LYS A 7 -3.784 4.603 -21.157 1.00 10.54 H new ATOM 0 HD3 LYS A 7 -2.421 3.921 -20.292 1.00 10.54 H new ATOM 0 HE2 LYS A 7 -3.702 3.278 -18.471 1.00 63.13 H new ATOM 0 HE3 LYS A 7 -4.846 4.591 -18.667 1.00 63.13 H new ATOM 0 HZ1 LYS A 7 -5.842 2.471 -19.226 1.00 71.14 H new ATOM 0 HZ2 LYS A 7 -5.772 3.459 -20.605 1.00 71.14 H new ATOM 0 HZ3 LYS A 7 -4.663 2.187 -20.415 1.00 71.14 H new ATOM 121 N TRP A 8 0.657 7.600 -18.551 1.00 60.20 N ATOM 122 CA TRP A 8 1.332 8.793 -19.048 1.00 3.31 C ATOM 123 C TRP A 8 2.023 9.540 -17.912 1.00 40.45 C ATOM 124 O TRP A 8 1.461 9.700 -16.829 1.00 32.33 O ATOM 125 CB TRP A 8 0.333 9.715 -19.748 1.00 51.52 C ATOM 126 CG TRP A 8 -0.481 10.540 -18.798 1.00 34.04 C ATOM 127 CD1 TRP A 8 -0.105 11.706 -18.195 1.00 13.22 C ATOM 128 CD2 TRP A 8 -1.809 10.259 -18.340 1.00 4.21 C ATOM 129 NE1 TRP A 8 -1.119 12.167 -17.390 1.00 1.43 N ATOM 130 CE2 TRP A 8 -2.175 11.298 -17.462 1.00 50.20 C ATOM 131 CE3 TRP A 8 -2.724 9.233 -18.588 1.00 21.34 C ATOM 132 CZ2 TRP A 8 -3.416 11.337 -16.832 1.00 50.01 C ATOM 133 CZ3 TRP A 8 -3.955 9.273 -17.961 1.00 70.44 C ATOM 134 CH2 TRP A 8 -4.293 10.319 -17.093 1.00 4.03 C ATOM 0 H TRP A 8 0.684 7.491 -17.537 1.00 60.20 H new ATOM 0 HA TRP A 8 2.090 8.479 -19.766 1.00 3.31 H new ATOM 0 HB2 TRP A 8 0.873 10.379 -20.423 1.00 51.52 H new ATOM 0 HB3 TRP A 8 -0.337 9.113 -20.362 1.00 51.52 H new ATOM 0 HD1 TRP A 8 0.849 12.194 -18.331 1.00 13.22 H new ATOM 0 HE1 TRP A 8 -1.090 13.019 -16.830 1.00 1.43 H new ATOM 0 HE3 TRP A 8 -2.474 8.423 -19.258 1.00 21.34 H new ATOM 0 HZ2 TRP A 8 -3.677 12.142 -16.161 1.00 50.01 H new ATOM 0 HZ3 TRP A 8 -4.669 8.484 -18.144 1.00 70.44 H new ATOM 0 HH2 TRP A 8 -5.264 10.322 -16.621 1.00 4.03 H new ATOM 145 N PHE A 9 3.245 9.997 -18.167 1.00 54.33 N ATOM 146 CA PHE A 9 4.012 10.727 -17.165 1.00 43.53 C ATOM 147 C PHE A 9 4.733 11.917 -17.793 1.00 25.31 C ATOM 148 O PHE A 9 5.797 11.765 -18.392 1.00 40.23 O ATOM 149 CB PHE A 9 5.026 9.799 -16.492 1.00 54.43 C ATOM 150 CG PHE A 9 6.002 10.519 -15.606 1.00 52.35 C ATOM 151 CD1 PHE A 9 5.661 10.855 -14.306 1.00 72.31 C ATOM 152 CD2 PHE A 9 7.260 10.861 -16.074 1.00 44.24 C ATOM 153 CE1 PHE A 9 6.557 11.517 -13.488 1.00 71.12 C ATOM 154 CE2 PHE A 9 8.161 11.523 -15.261 1.00 73.10 C ATOM 155 CZ PHE A 9 7.808 11.852 -13.967 1.00 1.32 C ATOM 0 H PHE A 9 3.725 9.875 -19.059 1.00 54.33 H new ATOM 0 HA PHE A 9 3.317 11.101 -16.413 1.00 43.53 H new ATOM 0 HB2 PHE A 9 4.490 9.056 -15.901 1.00 54.43 H new ATOM 0 HB3 PHE A 9 5.577 9.257 -17.261 1.00 54.43 H new ATOM 0 HD1 PHE A 9 4.683 10.597 -13.927 1.00 72.31 H new ATOM 0 HD2 PHE A 9 7.540 10.608 -17.086 1.00 44.24 H new ATOM 0 HE1 PHE A 9 6.279 11.772 -12.476 1.00 71.12 H new ATOM 0 HE2 PHE A 9 9.140 11.783 -15.637 1.00 73.10 H new ATOM 0 HZ PHE A 9 8.510 12.371 -13.330 1.00 1.32 H new ATOM 165 N ASN A 10 4.145 13.100 -17.651 1.00 4.14 N ATOM 166 CA ASN A 10 4.730 14.316 -18.204 1.00 64.12 C ATOM 167 C ASN A 10 6.046 14.652 -17.508 1.00 52.34 C ATOM 168 O ASN A 10 6.072 14.937 -16.312 1.00 15.15 O ATOM 169 CB ASN A 10 3.754 15.485 -18.066 1.00 13.50 C ATOM 170 CG ASN A 10 3.960 16.541 -19.135 1.00 62.45 C ATOM 171 OD1 ASN A 10 5.086 16.793 -19.565 1.00 10.22 O ATOM 172 ND2 ASN A 10 2.871 17.163 -19.571 1.00 33.24 N ATOM 0 H ASN A 10 3.264 13.243 -17.158 1.00 4.14 H new ATOM 0 HA ASN A 10 4.932 14.144 -19.261 1.00 64.12 H new ATOM 0 HB2 ASN A 10 2.732 15.110 -18.122 1.00 13.50 H new ATOM 0 HB3 ASN A 10 3.873 15.940 -17.083 1.00 13.50 H new ATOM 0 HD21 ASN A 10 2.948 17.882 -20.291 1.00 33.24 H new ATOM 0 HD22 ASN A 10 1.958 16.922 -19.186 1.00 33.24 H new ATOM 179 N ALA A 11 7.136 14.618 -18.267 1.00 62.45 N ATOM 180 CA ALA A 11 8.455 14.921 -17.725 1.00 54.21 C ATOM 181 C ALA A 11 8.749 16.415 -17.801 1.00 52.54 C ATOM 182 O ALA A 11 9.544 16.941 -17.023 1.00 63.33 O ATOM 183 CB ALA A 11 9.524 14.132 -18.465 1.00 44.23 C ATOM 0 H ALA A 11 7.132 14.384 -19.260 1.00 62.45 H new ATOM 0 HA ALA A 11 8.465 14.628 -16.675 1.00 54.21 H new ATOM 0 HB1 ALA A 11 10.504 14.368 -18.050 1.00 44.23 H new ATOM 0 HB2 ALA A 11 9.331 13.065 -18.354 1.00 44.23 H new ATOM 0 HB3 ALA A 11 9.505 14.396 -19.522 1.00 44.23 H new ATOM 189 N GLU A 12 8.102 17.094 -18.744 1.00 64.14 N ATOM 190 CA GLU A 12 8.297 18.528 -18.922 1.00 42.01 C ATOM 191 C GLU A 12 7.690 19.308 -17.759 1.00 64.22 C ATOM 192 O GLU A 12 8.272 20.280 -17.278 1.00 1.24 O ATOM 193 CB GLU A 12 7.674 18.990 -20.241 1.00 11.32 C ATOM 194 CG GLU A 12 7.825 20.480 -20.496 1.00 44.53 C ATOM 195 CD GLU A 12 7.247 20.905 -21.832 1.00 40.12 C ATOM 196 OE1 GLU A 12 6.039 20.682 -22.054 1.00 72.21 O ATOM 197 OE2 GLU A 12 8.004 21.461 -22.656 1.00 14.34 O ATOM 0 H GLU A 12 7.439 16.674 -19.396 1.00 64.14 H new ATOM 0 HA GLU A 12 9.369 18.723 -18.947 1.00 42.01 H new ATOM 0 HB2 GLU A 12 8.134 18.441 -21.062 1.00 11.32 H new ATOM 0 HB3 GLU A 12 6.614 18.735 -20.241 1.00 11.32 H new ATOM 0 HG2 GLU A 12 7.330 21.033 -19.698 1.00 44.53 H new ATOM 0 HG3 GLU A 12 8.882 20.746 -20.460 1.00 44.53 H new ATOM 204 N LYS A 13 6.516 18.874 -17.313 1.00 4.44 N ATOM 205 CA LYS A 13 5.829 19.529 -16.206 1.00 40.41 C ATOM 206 C LYS A 13 6.294 18.966 -14.867 1.00 12.11 C ATOM 207 O LYS A 13 6.453 19.703 -13.894 1.00 62.44 O ATOM 208 CB LYS A 13 4.315 19.357 -16.346 1.00 12.41 C ATOM 209 CG LYS A 13 3.682 20.319 -17.337 1.00 64.11 C ATOM 210 CD LYS A 13 2.186 20.451 -17.109 1.00 30.03 C ATOM 211 CE LYS A 13 1.648 21.755 -17.677 1.00 44.32 C ATOM 212 NZ LYS A 13 2.042 21.944 -19.101 1.00 23.01 N ATOM 0 H LYS A 13 6.020 18.071 -17.701 1.00 4.44 H new ATOM 0 HA LYS A 13 6.073 20.591 -16.237 1.00 40.41 H new ATOM 0 HB2 LYS A 13 4.101 18.335 -16.658 1.00 12.41 H new ATOM 0 HB3 LYS A 13 3.850 19.496 -15.370 1.00 12.41 H new ATOM 0 HG2 LYS A 13 4.152 21.298 -17.246 1.00 64.11 H new ATOM 0 HG3 LYS A 13 3.867 19.970 -18.353 1.00 64.11 H new ATOM 0 HD2 LYS A 13 1.671 19.611 -17.574 1.00 30.03 H new ATOM 0 HD3 LYS A 13 1.974 20.403 -16.041 1.00 30.03 H new ATOM 0 HE2 LYS A 13 0.561 21.765 -17.596 1.00 44.32 H new ATOM 0 HE3 LYS A 13 2.019 22.590 -17.083 1.00 44.32 H new ATOM 0 HZ1 LYS A 13 1.509 22.740 -19.506 1.00 23.01 H new ATOM 0 HZ2 LYS A 13 3.061 22.146 -19.155 1.00 23.01 H new ATOM 0 HZ3 LYS A 13 1.831 21.078 -19.637 1.00 23.01 H new ATOM 226 N GLY A 14 6.511 17.655 -14.825 1.00 21.03 N ATOM 227 CA GLY A 14 6.957 17.016 -13.600 1.00 51.03 C ATOM 228 C GLY A 14 5.827 16.329 -12.860 1.00 15.31 C ATOM 229 O GLY A 14 5.806 16.305 -11.629 1.00 71.41 O ATOM 0 H GLY A 14 6.386 17.024 -15.617 1.00 21.03 H new ATOM 0 HA2 GLY A 14 7.730 16.285 -13.836 1.00 51.03 H new ATOM 0 HA3 GLY A 14 7.412 17.763 -12.949 1.00 51.03 H new ATOM 233 N TYR A 15 4.883 15.772 -13.610 1.00 71.32 N ATOM 234 CA TYR A 15 3.741 15.085 -13.017 1.00 64.14 C ATOM 235 C TYR A 15 3.293 13.918 -13.892 1.00 52.44 C ATOM 236 O TYR A 15 3.733 13.778 -15.033 1.00 34.23 O ATOM 237 CB TYR A 15 2.581 16.061 -12.815 1.00 62.10 C ATOM 238 CG TYR A 15 1.822 16.370 -14.085 1.00 53.43 C ATOM 239 CD1 TYR A 15 2.450 16.985 -15.162 1.00 32.53 C ATOM 240 CD2 TYR A 15 0.476 16.048 -14.209 1.00 71.43 C ATOM 241 CE1 TYR A 15 1.759 17.270 -16.324 1.00 24.23 C ATOM 242 CE2 TYR A 15 -0.222 16.328 -15.368 1.00 71.32 C ATOM 243 CZ TYR A 15 0.424 16.939 -16.422 1.00 51.33 C ATOM 244 OH TYR A 15 -0.267 17.220 -17.579 1.00 1.53 O ATOM 0 H TYR A 15 4.886 15.783 -14.630 1.00 71.32 H new ATOM 0 HA TYR A 15 4.049 14.692 -12.048 1.00 64.14 H new ATOM 0 HB2 TYR A 15 1.891 15.645 -12.081 1.00 62.10 H new ATOM 0 HB3 TYR A 15 2.968 16.991 -12.397 1.00 62.10 H new ATOM 0 HD1 TYR A 15 3.496 17.244 -15.089 1.00 32.53 H new ATOM 0 HD2 TYR A 15 -0.033 15.571 -13.385 1.00 71.43 H new ATOM 0 HE1 TYR A 15 2.262 17.749 -17.151 1.00 24.23 H new ATOM 0 HE2 TYR A 15 -1.268 16.070 -15.448 1.00 71.32 H new ATOM 0 HH TYR A 15 -1.196 16.922 -17.486 1.00 1.53 H new ATOM 254 N GLY A 16 2.412 13.083 -13.349 1.00 4.44 N ATOM 255 CA GLY A 16 1.917 11.940 -14.092 1.00 64.23 C ATOM 256 C GLY A 16 0.813 11.205 -13.359 1.00 55.50 C ATOM 257 O GLY A 16 0.462 11.561 -12.234 1.00 34.34 O ATOM 0 H GLY A 16 2.032 13.178 -12.407 1.00 4.44 H new ATOM 0 HA2 GLY A 16 1.546 12.274 -15.061 1.00 64.23 H new ATOM 0 HA3 GLY A 16 2.740 11.252 -14.286 1.00 64.23 H new ATOM 261 N PHE A 17 0.261 10.179 -13.998 1.00 0.00 N ATOM 262 CA PHE A 17 -0.813 9.394 -13.400 1.00 41.23 C ATOM 263 C PHE A 17 -0.645 7.911 -13.719 1.00 1.44 C ATOM 264 O PHE A 17 -0.521 7.526 -14.881 1.00 75.45 O ATOM 265 CB PHE A 17 -2.172 9.884 -13.903 1.00 53.50 C ATOM 266 CG PHE A 17 -2.811 10.905 -13.005 1.00 32.21 C ATOM 267 CD1 PHE A 17 -2.341 12.208 -12.970 1.00 23.44 C ATOM 268 CD2 PHE A 17 -3.883 10.561 -12.196 1.00 44.42 C ATOM 269 CE1 PHE A 17 -2.926 13.148 -12.143 1.00 53.14 C ATOM 270 CE2 PHE A 17 -4.473 11.498 -11.368 1.00 64.22 C ATOM 271 CZ PHE A 17 -3.994 12.793 -11.343 1.00 13.13 C ATOM 0 H PHE A 17 0.540 9.872 -14.930 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.765 9.523 -12.319 1.00 41.23 H new ATOM 0 HB2 PHE A 17 -2.049 10.313 -14.898 1.00 53.50 H new ATOM 0 HB3 PHE A 17 -2.842 9.030 -14.004 1.00 53.50 H new ATOM 0 HD1 PHE A 17 -1.508 12.492 -13.596 1.00 23.44 H new ATOM 0 HD2 PHE A 17 -4.262 9.550 -12.213 1.00 44.42 H new ATOM 0 HE1 PHE A 17 -2.548 14.160 -12.122 1.00 53.14 H new ATOM 0 HE2 PHE A 17 -5.307 11.218 -10.742 1.00 64.22 H new ATOM 0 HZ PHE A 17 -4.454 13.527 -10.698 1.00 13.13 H new ATOM 281 N ILE A 18 -0.641 7.086 -12.678 1.00 24.34 N ATOM 282 CA ILE A 18 -0.488 5.646 -12.846 1.00 33.13 C ATOM 283 C ILE A 18 -1.837 4.938 -12.770 1.00 22.13 C ATOM 284 O ILE A 18 -2.764 5.417 -12.118 1.00 0.32 O ATOM 285 CB ILE A 18 0.452 5.051 -11.781 1.00 11.12 C ATOM 286 CG1 ILE A 18 1.805 5.765 -11.808 1.00 61.40 C ATOM 287 CG2 ILE A 18 0.630 3.557 -12.007 1.00 1.14 C ATOM 288 CD1 ILE A 18 2.560 5.678 -10.500 1.00 65.34 C ATOM 0 H ILE A 18 -0.742 7.390 -11.709 1.00 24.34 H new ATOM 0 HA ILE A 18 -0.052 5.488 -13.832 1.00 33.13 H new ATOM 0 HB ILE A 18 0.004 5.199 -10.798 1.00 11.12 H new ATOM 0 HG12 ILE A 18 2.417 5.336 -12.601 1.00 61.40 H new ATOM 0 HG13 ILE A 18 1.648 6.814 -12.059 1.00 61.40 H new ATOM 0 HG21 ILE A 18 1.297 3.151 -11.246 1.00 1.14 H new ATOM 0 HG22 ILE A 18 -0.339 3.061 -11.942 1.00 1.14 H new ATOM 0 HG23 ILE A 18 1.059 3.387 -12.994 1.00 1.14 H new ATOM 0 HD11 ILE A 18 3.509 6.206 -10.592 1.00 65.34 H new ATOM 0 HD12 ILE A 18 1.967 6.133 -9.707 1.00 65.34 H new ATOM 0 HD13 ILE A 18 2.748 4.632 -10.257 1.00 65.34 H new ATOM 300 N GLN A 19 -1.937 3.794 -13.439 1.00 40.01 N ATOM 301 CA GLN A 19 -3.172 3.019 -13.446 1.00 52.30 C ATOM 302 C GLN A 19 -2.964 1.657 -12.793 1.00 21.11 C ATOM 303 O GLN A 19 -2.068 0.905 -13.177 1.00 12.33 O ATOM 304 CB GLN A 19 -3.678 2.839 -14.878 1.00 51.44 C ATOM 305 CG GLN A 19 -3.623 4.112 -15.707 1.00 41.44 C ATOM 306 CD GLN A 19 -4.145 5.321 -14.956 1.00 53.23 C ATOM 307 OE1 GLN A 19 -3.327 6.363 -14.868 1.00 73.12 O flip ATOM 308 NE2 GLN A 19 -5.272 5.319 -14.460 1.00 64.03 N flip ATOM 0 H GLN A 19 -1.178 3.383 -13.983 1.00 40.01 H new ATOM 0 HA GLN A 19 -3.918 3.567 -12.871 1.00 52.30 H new ATOM 0 HB2 GLN A 19 -3.084 2.069 -15.370 1.00 51.44 H new ATOM 0 HB3 GLN A 19 -4.706 2.479 -14.849 1.00 51.44 H new ATOM 0 HG2 GLN A 19 -2.594 4.297 -16.014 1.00 41.44 H new ATOM 0 HG3 GLN A 19 -4.207 3.974 -16.617 1.00 41.44 H new ATOM 0 HE21 GLN A 19 -5.868 4.496 -14.551 1.00 64.03 H new ATOM 0 HE22 GLN A 19 -5.610 6.140 -13.958 1.00 64.03 H new ATOM 385 N ASP A 25 -6.093 5.924 -10.669 1.00 10.41 N ATOM 386 CA ASP A 25 -6.256 7.338 -10.350 1.00 32.03 C ATOM 387 C ASP A 25 -5.346 7.743 -9.194 1.00 72.33 C ATOM 388 O ASP A 25 -5.783 7.827 -8.046 1.00 62.52 O ATOM 389 CB ASP A 25 -7.714 7.638 -9.997 1.00 2.05 C ATOM 390 CG ASP A 25 -8.480 8.238 -11.159 1.00 44.12 C ATOM 391 OD1 ASP A 25 -8.113 9.347 -11.601 1.00 73.01 O ATOM 392 OD2 ASP A 25 -9.446 7.599 -11.627 1.00 3.22 O ATOM 0 HA ASP A 25 -5.976 7.918 -11.229 1.00 32.03 H new ATOM 0 HB2 ASP A 25 -8.204 6.718 -9.679 1.00 2.05 H new ATOM 0 HB3 ASP A 25 -7.746 8.325 -9.151 1.00 2.05 H new ATOM 397 N VAL A 26 -4.078 7.992 -9.506 1.00 31.14 N ATOM 398 CA VAL A 26 -3.106 8.388 -8.494 1.00 30.24 C ATOM 399 C VAL A 26 -2.267 9.568 -8.970 1.00 1.23 C ATOM 400 O VAL A 26 -1.943 9.676 -10.153 1.00 3.45 O ATOM 401 CB VAL A 26 -2.170 7.221 -8.128 1.00 23.22 C ATOM 402 CG1 VAL A 26 -0.866 7.318 -8.905 1.00 40.23 C ATOM 403 CG2 VAL A 26 -1.906 7.199 -6.630 1.00 13.13 C ATOM 0 H VAL A 26 -3.700 7.926 -10.451 1.00 31.14 H new ATOM 0 HA VAL A 26 -3.672 8.681 -7.610 1.00 30.24 H new ATOM 0 HB VAL A 26 -2.660 6.287 -8.402 1.00 23.22 H new ATOM 0 HG11 VAL A 26 -0.218 6.485 -8.633 1.00 40.23 H new ATOM 0 HG12 VAL A 26 -1.076 7.281 -9.974 1.00 40.23 H new ATOM 0 HG13 VAL A 26 -0.369 8.258 -8.665 1.00 40.23 H new ATOM 0 HG21 VAL A 26 -1.243 6.368 -6.390 1.00 13.13 H new ATOM 0 HG22 VAL A 26 -1.437 8.136 -6.329 1.00 13.13 H new ATOM 0 HG23 VAL A 26 -2.849 7.077 -6.096 1.00 13.13 H new ATOM 413 N PHE A 27 -1.917 10.452 -8.041 1.00 34.45 N ATOM 414 CA PHE A 27 -1.116 11.626 -8.365 1.00 24.31 C ATOM 415 C PHE A 27 0.365 11.361 -8.108 1.00 61.14 C ATOM 416 O PHE A 27 0.771 11.079 -6.981 1.00 12.54 O ATOM 417 CB PHE A 27 -1.580 12.830 -7.543 1.00 21.43 C ATOM 418 CG PHE A 27 -1.545 14.124 -8.303 1.00 41.43 C ATOM 419 CD1 PHE A 27 -0.448 14.456 -9.083 1.00 32.15 C ATOM 420 CD2 PHE A 27 -2.609 15.010 -8.240 1.00 21.44 C ATOM 421 CE1 PHE A 27 -0.413 15.647 -9.783 1.00 32.03 C ATOM 422 CE2 PHE A 27 -2.580 16.202 -8.938 1.00 3.11 C ATOM 423 CZ PHE A 27 -1.481 16.521 -9.711 1.00 62.53 C ATOM 0 H PHE A 27 -2.176 10.377 -7.057 1.00 34.45 H new ATOM 0 HA PHE A 27 -1.250 11.845 -9.424 1.00 24.31 H new ATOM 0 HB2 PHE A 27 -2.597 12.651 -7.193 1.00 21.43 H new ATOM 0 HB3 PHE A 27 -0.950 12.920 -6.658 1.00 21.43 H new ATOM 0 HD1 PHE A 27 0.389 13.776 -9.144 1.00 32.15 H new ATOM 0 HD2 PHE A 27 -3.472 14.766 -7.638 1.00 21.44 H new ATOM 0 HE1 PHE A 27 0.448 15.895 -10.386 1.00 32.03 H new ATOM 0 HE2 PHE A 27 -3.416 16.883 -8.879 1.00 3.11 H new ATOM 0 HZ PHE A 27 -1.456 17.452 -10.258 1.00 62.53 H new ATOM 433 N VAL A 28 1.168 11.453 -9.164 1.00 21.42 N ATOM 434 CA VAL A 28 2.604 11.224 -9.054 1.00 71.12 C ATOM 435 C VAL A 28 3.392 12.385 -9.649 1.00 4.22 C ATOM 436 O VAL A 28 3.021 12.936 -10.686 1.00 32.31 O ATOM 437 CB VAL A 28 3.020 9.920 -9.761 1.00 10.03 C ATOM 438 CG1 VAL A 28 1.955 8.850 -9.578 1.00 33.24 C ATOM 439 CG2 VAL A 28 3.283 10.175 -11.237 1.00 51.22 C ATOM 0 H VAL A 28 0.848 11.684 -10.105 1.00 21.42 H new ATOM 0 HA VAL A 28 2.831 11.141 -7.991 1.00 71.12 H new ATOM 0 HB VAL A 28 3.944 9.560 -9.308 1.00 10.03 H new ATOM 0 HG11 VAL A 28 2.266 7.936 -10.084 1.00 33.24 H new ATOM 0 HG12 VAL A 28 1.821 8.648 -8.515 1.00 33.24 H new ATOM 0 HG13 VAL A 28 1.013 9.197 -10.003 1.00 33.24 H new ATOM 0 HG21 VAL A 28 3.576 9.243 -11.721 1.00 51.22 H new ATOM 0 HG22 VAL A 28 2.378 10.559 -11.707 1.00 51.22 H new ATOM 0 HG23 VAL A 28 4.085 10.906 -11.343 1.00 51.22 H new ATOM 449 N HIS A 29 4.484 12.753 -8.985 1.00 51.55 N ATOM 450 CA HIS A 29 5.327 13.850 -9.449 1.00 71.22 C ATOM 451 C HIS A 29 6.746 13.364 -9.728 1.00 31.41 C ATOM 452 O HIS A 29 7.176 12.338 -9.201 1.00 23.52 O ATOM 453 CB HIS A 29 5.355 14.973 -8.413 1.00 14.44 C ATOM 454 CG HIS A 29 3.997 15.362 -7.915 1.00 13.54 C ATOM 455 ND1 HIS A 29 3.731 15.635 -6.589 1.00 72.13 N ATOM 456 CD2 HIS A 29 2.825 15.526 -8.573 1.00 65.11 C ATOM 457 CE1 HIS A 29 2.454 15.947 -6.454 1.00 4.42 C ATOM 458 NE2 HIS A 29 1.883 15.889 -7.643 1.00 53.21 N ATOM 0 H HIS A 29 4.805 12.308 -8.125 1.00 51.55 H new ATOM 0 HA HIS A 29 4.904 14.233 -10.378 1.00 71.22 H new ATOM 0 HB2 HIS A 29 5.968 14.661 -7.567 1.00 14.44 H new ATOM 0 HB3 HIS A 29 5.837 15.848 -8.850 1.00 14.44 H new ATOM 0 HD2 HIS A 29 2.662 15.395 -9.633 1.00 65.11 H new ATOM 0 HE1 HIS A 29 1.961 16.205 -5.528 1.00 4.42 H new ATOM 0 HE2 HIS A 29 0.901 16.083 -7.839 1.00 53.21 H new ATOM 466 N PHE A 30 7.468 14.107 -10.560 1.00 21.40 N ATOM 467 CA PHE A 30 8.838 13.750 -10.910 1.00 41.31 C ATOM 468 C PHE A 30 9.703 13.619 -9.660 1.00 15.14 C ATOM 469 O PHE A 30 10.722 12.928 -9.664 1.00 72.12 O ATOM 470 CB PHE A 30 9.436 14.800 -11.850 1.00 22.55 C ATOM 471 CG PHE A 30 9.900 16.042 -11.144 1.00 35.35 C ATOM 472 CD1 PHE A 30 9.002 16.834 -10.446 1.00 73.31 C ATOM 473 CD2 PHE A 30 11.233 16.417 -11.177 1.00 32.02 C ATOM 474 CE1 PHE A 30 9.425 17.978 -9.796 1.00 63.44 C ATOM 475 CE2 PHE A 30 11.662 17.560 -10.529 1.00 25.35 C ATOM 476 CZ PHE A 30 10.757 18.340 -9.837 1.00 5.35 C ATOM 0 H PHE A 30 7.128 14.960 -11.004 1.00 21.40 H new ATOM 0 HA PHE A 30 8.817 12.786 -11.418 1.00 41.31 H new ATOM 0 HB2 PHE A 30 10.278 14.360 -12.385 1.00 22.55 H new ATOM 0 HB3 PHE A 30 8.691 15.073 -12.597 1.00 22.55 H new ATOM 0 HD1 PHE A 30 7.960 16.554 -10.410 1.00 73.31 H new ATOM 0 HD2 PHE A 30 11.945 15.809 -11.715 1.00 32.02 H new ATOM 0 HE1 PHE A 30 8.715 18.588 -9.257 1.00 63.44 H new ATOM 0 HE2 PHE A 30 12.704 17.843 -10.564 1.00 25.35 H new ATOM 0 HZ PHE A 30 11.091 19.232 -9.328 1.00 5.35 H new ATOM 486 N THR A 31 9.288 14.289 -8.588 1.00 64.42 N ATOM 487 CA THR A 31 10.024 14.249 -7.331 1.00 2.32 C ATOM 488 C THR A 31 9.476 13.168 -6.407 1.00 0.25 C ATOM 489 O THR A 31 9.696 13.203 -5.196 1.00 61.23 O ATOM 490 CB THR A 31 9.968 15.607 -6.604 1.00 62.55 C ATOM 491 OG1 THR A 31 8.673 16.195 -6.766 1.00 11.34 O ATOM 492 CG2 THR A 31 11.031 16.552 -7.142 1.00 42.43 C ATOM 0 H THR A 31 8.447 14.865 -8.566 1.00 64.42 H new ATOM 0 HA THR A 31 11.060 14.020 -7.579 1.00 2.32 H new ATOM 0 HB THR A 31 10.159 15.436 -5.545 1.00 62.55 H new ATOM 0 HG1 THR A 31 8.664 16.750 -7.574 1.00 11.34 H new ATOM 0 HG21 THR A 31 10.972 17.504 -6.614 1.00 42.43 H new ATOM 0 HG22 THR A 31 12.018 16.114 -6.991 1.00 42.43 H new ATOM 0 HG23 THR A 31 10.866 16.717 -8.207 1.00 42.43 H new ATOM 500 N ALA A 32 8.762 12.208 -6.985 1.00 14.22 N ATOM 501 CA ALA A 32 8.184 11.115 -6.213 1.00 3.14 C ATOM 502 C ALA A 32 8.697 9.765 -6.704 1.00 11.53 C ATOM 503 O ALA A 32 8.438 8.731 -6.087 1.00 42.34 O ATOM 504 CB ALA A 32 6.665 11.163 -6.285 1.00 22.25 C ATOM 0 H ALA A 32 8.570 12.165 -7.986 1.00 14.22 H new ATOM 0 HA ALA A 32 8.491 11.235 -5.174 1.00 3.14 H new ATOM 0 HB1 ALA A 32 6.247 10.341 -5.704 1.00 22.25 H new ATOM 0 HB2 ALA A 32 6.311 12.111 -5.879 1.00 22.25 H new ATOM 0 HB3 ALA A 32 6.347 11.072 -7.324 1.00 22.25 H new ATOM 510 N ILE A 33 9.424 9.783 -7.816 1.00 34.00 N ATOM 511 CA ILE A 33 9.972 8.560 -8.389 1.00 3.13 C ATOM 512 C ILE A 33 11.329 8.227 -7.777 1.00 34.23 C ATOM 513 O ILE A 33 12.202 9.088 -7.673 1.00 35.34 O ATOM 514 CB ILE A 33 10.125 8.673 -9.917 1.00 2.50 C ATOM 515 CG1 ILE A 33 8.756 8.847 -10.577 1.00 12.50 C ATOM 516 CG2 ILE A 33 10.834 7.447 -10.471 1.00 21.52 C ATOM 517 CD1 ILE A 33 8.381 10.293 -10.818 1.00 73.14 C ATOM 0 H ILE A 33 9.647 10.631 -8.338 1.00 34.00 H new ATOM 0 HA ILE A 33 9.266 7.761 -8.161 1.00 3.13 H new ATOM 0 HB ILE A 33 10.730 9.551 -10.142 1.00 2.50 H new ATOM 0 HG12 ILE A 33 8.750 8.315 -11.528 1.00 12.50 H new ATOM 0 HG13 ILE A 33 7.997 8.383 -9.948 1.00 12.50 H new ATOM 0 HG21 ILE A 33 10.934 7.542 -11.552 1.00 21.52 H new ATOM 0 HG22 ILE A 33 11.823 7.364 -10.021 1.00 21.52 H new ATOM 0 HG23 ILE A 33 10.253 6.555 -10.238 1.00 21.52 H new ATOM 0 HD11 ILE A 33 7.399 10.341 -11.288 1.00 73.14 H new ATOM 0 HD12 ILE A 33 8.354 10.825 -9.867 1.00 73.14 H new ATOM 0 HD13 ILE A 33 9.119 10.756 -11.472 1.00 73.14 H new ATOM 529 N GLU A 34 11.498 6.971 -7.375 1.00 30.11 N ATOM 530 CA GLU A 34 12.749 6.524 -6.774 1.00 62.01 C ATOM 531 C GLU A 34 13.412 5.451 -7.633 1.00 23.12 C ATOM 532 O GLU A 34 13.212 4.256 -7.416 1.00 43.21 O ATOM 533 CB GLU A 34 12.499 5.983 -5.365 1.00 23.41 C ATOM 534 CG GLU A 34 11.632 6.890 -4.509 1.00 40.41 C ATOM 535 CD GLU A 34 12.302 7.278 -3.205 1.00 44.45 C ATOM 536 OE1 GLU A 34 12.584 6.375 -2.391 1.00 12.25 O ATOM 537 OE2 GLU A 34 12.546 8.486 -3.001 1.00 11.21 O ATOM 0 H GLU A 34 10.785 6.246 -7.455 1.00 30.11 H new ATOM 0 HA GLU A 34 13.420 7.381 -6.712 1.00 62.01 H new ATOM 0 HB2 GLU A 34 12.024 5.005 -5.440 1.00 23.41 H new ATOM 0 HB3 GLU A 34 13.457 5.835 -4.867 1.00 23.41 H new ATOM 0 HG2 GLU A 34 11.391 7.792 -5.071 1.00 40.41 H new ATOM 0 HG3 GLU A 34 10.689 6.387 -4.293 1.00 40.41 H new ATOM 650 N ASN A 42 7.944 5.128 -17.644 1.00 21.00 N ATOM 651 CA ASN A 42 7.790 4.878 -19.073 1.00 33.05 C ATOM 652 C ASN A 42 6.352 4.491 -19.405 1.00 31.33 C ATOM 653 O ASN A 42 5.791 3.576 -18.803 1.00 13.04 O ATOM 654 CB ASN A 42 8.745 3.771 -19.524 1.00 1.41 C ATOM 655 CG ASN A 42 10.201 4.157 -19.346 1.00 61.35 C ATOM 656 OD1 ASN A 42 10.715 5.027 -20.050 1.00 73.51 O ATOM 657 ND2 ASN A 42 10.874 3.509 -18.403 1.00 34.55 N ATOM 0 HA ASN A 42 8.033 5.797 -19.606 1.00 33.05 H new ATOM 0 HB2 ASN A 42 8.540 2.864 -18.955 1.00 1.41 H new ATOM 0 HB3 ASN A 42 8.559 3.539 -20.573 1.00 1.41 H new ATOM 0 HD21 ASN A 42 11.857 3.725 -18.238 1.00 34.55 H new ATOM 0 HD22 ASN A 42 10.408 2.795 -17.843 1.00 34.55 H new ATOM 664 N GLU A 43 5.763 5.193 -20.367 1.00 52.43 N ATOM 665 CA GLU A 43 4.390 4.923 -20.779 1.00 24.30 C ATOM 666 C GLU A 43 4.234 3.474 -21.232 1.00 31.23 C ATOM 667 O GLU A 43 4.906 3.026 -22.159 1.00 63.24 O ATOM 668 CB GLU A 43 3.977 5.869 -21.908 1.00 62.23 C ATOM 669 CG GLU A 43 2.597 5.577 -22.473 1.00 30.33 C ATOM 670 CD GLU A 43 2.295 6.383 -23.721 1.00 74.30 C ATOM 671 OE1 GLU A 43 3.044 6.249 -24.711 1.00 23.35 O ATOM 672 OE2 GLU A 43 1.307 7.148 -23.708 1.00 24.41 O ATOM 0 H GLU A 43 6.214 5.953 -20.876 1.00 52.43 H new ATOM 0 HA GLU A 43 3.740 5.090 -19.920 1.00 24.30 H new ATOM 0 HB2 GLU A 43 3.999 6.894 -21.538 1.00 62.23 H new ATOM 0 HB3 GLU A 43 4.711 5.804 -22.712 1.00 62.23 H new ATOM 0 HG2 GLU A 43 2.520 4.514 -22.704 1.00 30.33 H new ATOM 0 HG3 GLU A 43 1.845 5.793 -21.714 1.00 30.33 H new ATOM 679 N GLY A 44 3.341 2.746 -20.568 1.00 71.41 N ATOM 680 CA GLY A 44 3.112 1.355 -20.915 1.00 41.22 C ATOM 681 C GLY A 44 3.995 0.408 -20.127 1.00 50.01 C ATOM 682 O GLY A 44 4.026 -0.792 -20.399 1.00 2.40 O ATOM 0 H GLY A 44 2.772 3.094 -19.796 1.00 71.41 H new ATOM 0 HA2 GLY A 44 2.066 1.106 -20.735 1.00 41.22 H new ATOM 0 HA3 GLY A 44 3.294 1.215 -21.980 1.00 41.22 H new ATOM 686 N GLU A 45 4.715 0.948 -19.149 1.00 43.42 N ATOM 687 CA GLU A 45 5.605 0.142 -18.321 1.00 52.24 C ATOM 688 C GLU A 45 5.020 -0.053 -16.925 1.00 65.24 C ATOM 689 O GLU A 45 4.153 0.705 -16.492 1.00 13.35 O ATOM 690 CB GLU A 45 6.982 0.801 -18.222 1.00 41.40 C ATOM 691 CG GLU A 45 8.016 -0.054 -17.509 1.00 42.24 C ATOM 692 CD GLU A 45 9.415 0.142 -18.061 1.00 22.13 C ATOM 693 OE1 GLU A 45 9.646 -0.212 -19.236 1.00 35.44 O ATOM 694 OE2 GLU A 45 10.280 0.650 -17.316 1.00 52.12 O ATOM 0 H GLU A 45 4.700 1.940 -18.911 1.00 43.42 H new ATOM 0 HA GLU A 45 5.712 -0.835 -18.791 1.00 52.24 H new ATOM 0 HB2 GLU A 45 7.340 1.027 -19.226 1.00 41.40 H new ATOM 0 HB3 GLU A 45 6.884 1.751 -17.697 1.00 41.40 H new ATOM 0 HG2 GLU A 45 8.012 0.188 -16.446 1.00 42.24 H new ATOM 0 HG3 GLU A 45 7.738 -1.104 -17.598 1.00 42.24 H new ATOM 701 N HIS A 46 5.502 -1.076 -16.227 1.00 30.44 N ATOM 702 CA HIS A 46 5.028 -1.373 -14.879 1.00 50.43 C ATOM 703 C HIS A 46 5.830 -0.597 -13.839 1.00 20.25 C ATOM 704 O HIS A 46 7.043 -0.433 -13.970 1.00 60.33 O ATOM 705 CB HIS A 46 5.124 -2.873 -14.600 1.00 42.24 C ATOM 706 CG HIS A 46 4.711 -3.725 -15.760 1.00 63.44 C ATOM 707 ND1 HIS A 46 3.465 -4.308 -15.861 1.00 3.33 N ATOM 708 CD2 HIS A 46 5.387 -4.092 -16.875 1.00 12.33 C ATOM 709 CE1 HIS A 46 3.393 -4.997 -16.986 1.00 11.45 C ATOM 710 NE2 HIS A 46 4.546 -4.881 -17.620 1.00 31.44 N ATOM 0 H HIS A 46 6.220 -1.713 -16.572 1.00 30.44 H new ATOM 0 HA HIS A 46 3.984 -1.066 -14.811 1.00 50.43 H new ATOM 0 HB2 HIS A 46 6.150 -3.118 -14.327 1.00 42.24 H new ATOM 0 HB3 HIS A 46 4.499 -3.115 -13.741 1.00 42.24 H new ATOM 0 HD2 HIS A 46 6.399 -3.815 -17.130 1.00 12.33 H new ATOM 0 HE1 HIS A 46 2.537 -5.559 -17.329 1.00 11.45 H new ATOM 0 HE2 HIS A 46 4.774 -5.308 -18.518 1.00 31.44 H new ATOM 718 N VAL A 47 5.144 -0.121 -12.804 1.00 61.21 N ATOM 719 CA VAL A 47 5.792 0.637 -11.741 1.00 24.24 C ATOM 720 C VAL A 47 4.959 0.616 -10.464 1.00 70.22 C ATOM 721 O VAL A 47 3.734 0.717 -10.510 1.00 54.52 O ATOM 722 CB VAL A 47 6.033 2.099 -12.160 1.00 14.32 C ATOM 723 CG1 VAL A 47 7.257 2.204 -13.056 1.00 22.21 C ATOM 724 CG2 VAL A 47 4.803 2.662 -12.856 1.00 12.31 C ATOM 0 H VAL A 47 4.140 -0.247 -12.680 1.00 61.21 H new ATOM 0 HA VAL A 47 6.753 0.158 -11.552 1.00 24.24 H new ATOM 0 HB VAL A 47 6.218 2.690 -11.263 1.00 14.32 H new ATOM 0 HG11 VAL A 47 7.411 3.245 -13.341 1.00 22.21 H new ATOM 0 HG12 VAL A 47 8.133 1.842 -12.519 1.00 22.21 H new ATOM 0 HG13 VAL A 47 7.105 1.601 -13.951 1.00 22.21 H new ATOM 0 HG21 VAL A 47 4.990 3.696 -13.146 1.00 12.31 H new ATOM 0 HG22 VAL A 47 4.585 2.070 -13.745 1.00 12.31 H new ATOM 0 HG23 VAL A 47 3.951 2.624 -12.177 1.00 12.31 H new ATOM 734 N GLU A 48 5.633 0.484 -9.326 1.00 31.41 N ATOM 735 CA GLU A 48 4.953 0.449 -8.036 1.00 43.12 C ATOM 736 C GLU A 48 4.981 1.821 -7.370 1.00 4.44 C ATOM 737 O GLU A 48 6.045 2.415 -7.190 1.00 20.14 O ATOM 738 CB GLU A 48 5.604 -0.589 -7.119 1.00 41.25 C ATOM 739 CG GLU A 48 5.247 -0.415 -5.653 1.00 1.41 C ATOM 740 CD GLU A 48 5.819 -1.514 -4.779 1.00 1.44 C ATOM 741 OE1 GLU A 48 7.053 -1.706 -4.798 1.00 34.14 O ATOM 742 OE2 GLU A 48 5.032 -2.181 -4.075 1.00 61.10 O ATOM 0 H GLU A 48 6.648 0.400 -9.271 1.00 31.41 H new ATOM 0 HA GLU A 48 3.914 0.169 -8.209 1.00 43.12 H new ATOM 0 HB2 GLU A 48 5.303 -1.586 -7.442 1.00 41.25 H new ATOM 0 HB3 GLU A 48 6.687 -0.531 -7.230 1.00 41.25 H new ATOM 0 HG2 GLU A 48 5.616 0.550 -5.305 1.00 1.41 H new ATOM 0 HG3 GLU A 48 4.162 -0.399 -5.546 1.00 1.41 H new ATOM 749 N PHE A 49 3.805 2.320 -7.006 1.00 14.13 N ATOM 750 CA PHE A 49 3.693 3.623 -6.360 1.00 51.03 C ATOM 751 C PHE A 49 3.035 3.496 -4.989 1.00 41.34 C ATOM 752 O PHE A 49 2.142 2.673 -4.792 1.00 62.13 O ATOM 753 CB PHE A 49 2.888 4.583 -7.238 1.00 54.22 C ATOM 754 CG PHE A 49 1.531 4.058 -7.613 1.00 44.04 C ATOM 755 CD1 PHE A 49 1.389 3.144 -8.645 1.00 20.44 C ATOM 756 CD2 PHE A 49 0.399 4.478 -6.935 1.00 0.25 C ATOM 757 CE1 PHE A 49 0.142 2.659 -8.992 1.00 41.42 C ATOM 758 CE2 PHE A 49 -0.851 3.997 -7.277 1.00 44.25 C ATOM 759 CZ PHE A 49 -0.979 3.086 -8.307 1.00 61.31 C ATOM 0 H PHE A 49 2.915 1.842 -7.147 1.00 14.13 H new ATOM 0 HA PHE A 49 4.698 4.022 -6.225 1.00 51.03 H new ATOM 0 HB2 PHE A 49 2.770 5.531 -6.713 1.00 54.22 H new ATOM 0 HB3 PHE A 49 3.452 4.791 -8.147 1.00 54.22 H new ATOM 0 HD1 PHE A 49 2.262 2.807 -9.184 1.00 20.44 H new ATOM 0 HD2 PHE A 49 0.494 5.190 -6.129 1.00 0.25 H new ATOM 0 HE1 PHE A 49 0.044 1.947 -9.798 1.00 41.42 H new ATOM 0 HE2 PHE A 49 -1.726 4.333 -6.740 1.00 44.25 H new ATOM 0 HZ PHE A 49 -1.954 2.708 -8.577 1.00 61.31 H new ATOM 769 N GLU A 50 3.484 4.318 -4.046 1.00 2.02 N ATOM 770 CA GLU A 50 2.940 4.297 -2.693 1.00 63.21 C ATOM 771 C GLU A 50 1.994 5.473 -2.469 1.00 30.33 C ATOM 772 O GLU A 50 2.430 6.593 -2.203 1.00 51.15 O ATOM 773 CB GLU A 50 4.072 4.335 -1.664 1.00 32.12 C ATOM 774 CG GLU A 50 4.689 2.974 -1.388 1.00 5.44 C ATOM 775 CD GLU A 50 4.898 2.161 -2.650 1.00 52.02 C ATOM 776 OE1 GLU A 50 3.920 1.552 -3.133 1.00 1.53 O ATOM 777 OE2 GLU A 50 6.039 2.134 -3.156 1.00 25.31 O ATOM 0 H GLU A 50 4.222 5.006 -4.194 1.00 2.02 H new ATOM 0 HA GLU A 50 2.377 3.372 -2.569 1.00 63.21 H new ATOM 0 HB2 GLU A 50 4.850 5.012 -2.017 1.00 32.12 H new ATOM 0 HB3 GLU A 50 3.689 4.747 -0.730 1.00 32.12 H new ATOM 0 HG2 GLU A 50 5.646 3.109 -0.885 1.00 5.44 H new ATOM 0 HG3 GLU A 50 4.045 2.419 -0.705 1.00 5.44 H new ATOM 784 N VAL A 51 0.696 5.209 -2.578 1.00 14.14 N ATOM 785 CA VAL A 51 -0.313 6.244 -2.386 1.00 53.14 C ATOM 786 C VAL A 51 -0.273 6.795 -0.965 1.00 41.15 C ATOM 787 O VAL A 51 -0.429 6.052 0.003 1.00 53.31 O ATOM 788 CB VAL A 51 -1.728 5.710 -2.678 1.00 31.50 C ATOM 789 CG1 VAL A 51 -1.828 5.219 -4.114 1.00 72.13 C ATOM 790 CG2 VAL A 51 -2.090 4.601 -1.701 1.00 12.31 C ATOM 0 H VAL A 51 0.318 4.287 -2.798 1.00 14.14 H new ATOM 0 HA VAL A 51 -0.082 7.044 -3.089 1.00 53.14 H new ATOM 0 HB VAL A 51 -2.439 6.526 -2.548 1.00 31.50 H new ATOM 0 HG11 VAL A 51 -2.835 4.846 -4.302 1.00 72.13 H new ATOM 0 HG12 VAL A 51 -1.613 6.042 -4.796 1.00 72.13 H new ATOM 0 HG13 VAL A 51 -1.108 4.417 -4.275 1.00 72.13 H new ATOM 0 HG21 VAL A 51 -3.093 4.235 -1.921 1.00 12.31 H new ATOM 0 HG22 VAL A 51 -1.376 3.783 -1.798 1.00 12.31 H new ATOM 0 HG23 VAL A 51 -2.061 4.989 -0.683 1.00 12.31 H new ATOM 800 N GLU A 52 -0.062 8.103 -0.849 1.00 75.43 N ATOM 801 CA GLU A 52 -0.001 8.753 0.454 1.00 34.14 C ATOM 802 C GLU A 52 -1.293 9.511 0.745 1.00 12.41 C ATOM 803 O GLU A 52 -1.963 10.016 -0.156 1.00 60.24 O ATOM 804 CB GLU A 52 1.190 9.711 0.516 1.00 63.30 C ATOM 805 CG GLU A 52 2.185 9.375 1.614 1.00 22.30 C ATOM 806 CD GLU A 52 2.518 10.570 2.485 1.00 3.24 C ATOM 807 OE1 GLU A 52 1.630 11.021 3.238 1.00 34.55 O ATOM 808 OE2 GLU A 52 3.667 11.055 2.414 1.00 14.42 O ATOM 0 H GLU A 52 0.069 8.732 -1.641 1.00 75.43 H new ATOM 0 HA GLU A 52 0.125 7.979 1.211 1.00 34.14 H new ATOM 0 HB2 GLU A 52 1.705 9.700 -0.445 1.00 63.30 H new ATOM 0 HB3 GLU A 52 0.822 10.725 0.669 1.00 63.30 H new ATOM 0 HG2 GLU A 52 1.778 8.578 2.237 1.00 22.30 H new ATOM 0 HG3 GLU A 52 3.101 8.991 1.164 1.00 22.30 H new ATOM 815 N PRO A 53 -1.653 9.594 2.035 1.00 42.23 N ATOM 816 CA PRO A 53 -2.866 10.289 2.475 1.00 32.21 C ATOM 817 C PRO A 53 -2.763 11.801 2.305 1.00 24.34 C ATOM 818 O PRO A 53 -3.091 12.341 1.250 1.00 64.52 O ATOM 819 CB PRO A 53 -2.966 9.923 3.958 1.00 30.31 C ATOM 820 CG PRO A 53 -1.566 9.620 4.369 1.00 53.34 C ATOM 821 CD PRO A 53 -0.902 9.016 3.162 1.00 12.52 C ATOM 0 HA PRO A 53 -3.738 9.997 1.890 1.00 32.21 H new ATOM 0 HB2 PRO A 53 -3.381 10.745 4.541 1.00 30.31 H new ATOM 0 HB3 PRO A 53 -3.618 9.063 4.110 1.00 30.31 H new ATOM 0 HG2 PRO A 53 -1.048 10.525 4.688 1.00 53.34 H new ATOM 0 HG3 PRO A 53 -1.547 8.929 5.212 1.00 53.34 H new ATOM 0 HD2 PRO A 53 0.156 9.274 3.114 1.00 12.52 H new ATOM 0 HD3 PRO A 53 -0.965 7.928 3.171 1.00 12.52 H new ATOM 829 N GLY A 54 -2.304 12.479 3.353 1.00 44.32 N ATOM 830 CA GLY A 54 -2.165 13.923 3.298 1.00 22.24 C ATOM 831 C GLY A 54 -0.867 14.356 2.647 1.00 4.30 C ATOM 832 O GLY A 54 -0.063 15.062 3.258 1.00 73.35 O ATOM 0 H GLY A 54 -2.026 12.055 4.238 1.00 44.32 H new ATOM 0 HA2 GLY A 54 -3.004 14.345 2.744 1.00 22.24 H new ATOM 0 HA3 GLY A 54 -2.214 14.328 4.309 1.00 22.24 H new ATOM 836 N ARG A 55 -0.659 13.932 1.405 1.00 53.44 N ATOM 837 CA ARG A 55 0.552 14.279 0.671 1.00 21.12 C ATOM 838 C ARG A 55 0.221 14.700 -0.758 1.00 20.34 C ATOM 839 O ARG A 55 0.807 15.641 -1.290 1.00 1.20 O ATOM 840 CB ARG A 55 1.520 13.094 0.654 1.00 12.21 C ATOM 841 CG ARG A 55 2.977 13.496 0.814 1.00 60.30 C ATOM 842 CD ARG A 55 3.389 14.523 -0.228 1.00 43.53 C ATOM 843 NE ARG A 55 4.770 14.337 -0.665 1.00 23.41 N ATOM 844 CZ ARG A 55 5.435 15.222 -1.399 1.00 61.21 C ATOM 845 NH1 ARG A 55 4.848 16.349 -1.776 1.00 44.43 N ATOM 846 NH2 ARG A 55 6.690 14.980 -1.757 1.00 52.10 N ATOM 0 H ARG A 55 -1.314 13.347 0.886 1.00 53.44 H new ATOM 0 HA ARG A 55 1.026 15.120 1.178 1.00 21.12 H new ATOM 0 HB2 ARG A 55 1.252 12.405 1.455 1.00 12.21 H new ATOM 0 HB3 ARG A 55 1.402 12.553 -0.285 1.00 12.21 H new ATOM 0 HG2 ARG A 55 3.135 13.905 1.812 1.00 60.30 H new ATOM 0 HG3 ARG A 55 3.611 12.613 0.727 1.00 60.30 H new ATOM 0 HD2 ARG A 55 2.724 14.453 -1.089 1.00 43.53 H new ATOM 0 HD3 ARG A 55 3.271 15.525 0.185 1.00 43.53 H new ATOM 0 HE ARG A 55 5.251 13.480 -0.391 1.00 23.41 H new ATOM 0 HH11 ARG A 55 3.884 16.538 -1.502 1.00 44.43 H new ATOM 0 HH12 ARG A 55 5.361 17.027 -2.340 1.00 44.43 H new ATOM 0 HH21 ARG A 55 7.145 14.114 -1.468 1.00 52.10 H new ATOM 0 HH22 ARG A 55 7.200 15.660 -2.321 1.00 52.10 H new ATOM 860 N GLY A 56 -0.723 13.994 -1.374 1.00 22.05 N ATOM 861 CA GLY A 56 -1.115 14.309 -2.735 1.00 30.32 C ATOM 862 C GLY A 56 -2.129 15.433 -2.801 1.00 11.44 C ATOM 863 O GLY A 56 -3.016 15.530 -1.953 1.00 62.43 O ATOM 0 H GLY A 56 -1.223 13.210 -0.955 1.00 22.05 H new ATOM 0 HA2 GLY A 56 -0.231 14.587 -3.309 1.00 30.32 H new ATOM 0 HA3 GLY A 56 -1.533 13.419 -3.205 1.00 30.32 H new ATOM 867 N GLY A 57 -1.998 16.289 -3.810 1.00 64.22 N ATOM 868 CA GLY A 57 -2.916 17.402 -3.963 1.00 45.35 C ATOM 869 C GLY A 57 -4.367 16.973 -3.878 1.00 42.22 C ATOM 870 O GLY A 57 -5.200 17.682 -3.314 1.00 0.44 O ATOM 0 H GLY A 57 -1.272 16.231 -4.524 1.00 64.22 H new ATOM 0 HA2 GLY A 57 -2.714 18.144 -3.191 1.00 45.35 H new ATOM 0 HA3 GLY A 57 -2.739 17.885 -4.924 1.00 45.35 H new ATOM 874 N LYS A 58 -4.672 15.809 -4.442 1.00 11.24 N ATOM 875 CA LYS A 58 -6.033 15.285 -4.428 1.00 3.41 C ATOM 876 C LYS A 58 -6.197 14.225 -3.343 1.00 42.34 C ATOM 877 O LYS A 58 -7.314 13.896 -2.948 1.00 11.25 O ATOM 878 CB LYS A 58 -6.387 14.692 -5.793 1.00 44.35 C ATOM 879 CG LYS A 58 -6.717 15.738 -6.844 1.00 45.50 C ATOM 880 CD LYS A 58 -8.217 15.938 -6.981 1.00 24.14 C ATOM 881 CE LYS A 58 -8.684 17.178 -6.234 1.00 73.03 C ATOM 882 NZ LYS A 58 -9.815 17.852 -6.932 1.00 24.45 N ATOM 0 H LYS A 58 -3.995 15.210 -4.915 1.00 11.24 H new ATOM 0 HA LYS A 58 -6.711 16.110 -4.210 1.00 3.41 H new ATOM 0 HB2 LYS A 58 -5.551 14.087 -6.145 1.00 44.35 H new ATOM 0 HB3 LYS A 58 -7.239 14.022 -5.679 1.00 44.35 H new ATOM 0 HG2 LYS A 58 -6.246 16.684 -6.577 1.00 45.50 H new ATOM 0 HG3 LYS A 58 -6.300 15.434 -7.804 1.00 45.50 H new ATOM 0 HD2 LYS A 58 -8.479 16.027 -8.035 1.00 24.14 H new ATOM 0 HD3 LYS A 58 -8.739 15.062 -6.596 1.00 24.14 H new ATOM 0 HE2 LYS A 58 -8.993 16.900 -5.226 1.00 73.03 H new ATOM 0 HE3 LYS A 58 -7.853 17.875 -6.132 1.00 73.03 H new ATOM 0 HZ1 LYS A 58 -10.105 18.692 -6.392 1.00 24.45 H new ATOM 0 HZ2 LYS A 58 -9.513 18.140 -7.885 1.00 24.45 H new ATOM 0 HZ3 LYS A 58 -10.618 17.195 -7.007 1.00 24.45 H new ATOM 896 N GLY A 59 -5.075 13.695 -2.866 1.00 21.03 N ATOM 897 CA GLY A 59 -5.117 12.679 -1.830 1.00 61.15 C ATOM 898 C GLY A 59 -4.032 11.634 -1.999 1.00 44.12 C ATOM 899 O GLY A 59 -2.881 11.835 -1.610 1.00 41.02 O ATOM 0 H GLY A 59 -4.138 13.951 -3.178 1.00 21.03 H new ATOM 0 HA2 GLY A 59 -5.011 13.154 -0.855 1.00 61.15 H new ATOM 0 HA3 GLY A 59 -6.092 12.192 -1.843 1.00 61.15 H new ATOM 903 N PRO A 60 -4.396 10.487 -2.591 1.00 31.22 N ATOM 904 CA PRO A 60 -3.459 9.383 -2.822 1.00 55.34 C ATOM 905 C PRO A 60 -2.422 9.718 -3.889 1.00 30.42 C ATOM 906 O PRO A 60 -2.751 9.848 -5.067 1.00 50.44 O ATOM 907 CB PRO A 60 -4.365 8.243 -3.296 1.00 4.21 C ATOM 908 CG PRO A 60 -5.554 8.922 -3.882 1.00 10.41 C ATOM 909 CD PRO A 60 -5.751 10.179 -3.080 1.00 24.14 C ATOM 0 HA PRO A 60 -2.882 9.144 -1.929 1.00 55.34 H new ATOM 0 HB2 PRO A 60 -3.862 7.619 -4.034 1.00 4.21 H new ATOM 0 HB3 PRO A 60 -4.648 7.593 -2.469 1.00 4.21 H new ATOM 0 HG2 PRO A 60 -5.392 9.152 -4.935 1.00 10.41 H new ATOM 0 HG3 PRO A 60 -6.435 8.282 -3.827 1.00 10.41 H new ATOM 0 HD2 PRO A 60 -6.151 10.988 -3.692 1.00 24.14 H new ATOM 0 HD3 PRO A 60 -6.450 10.026 -2.258 1.00 24.14 H new ATOM 917 N GLN A 61 -1.169 9.854 -3.467 1.00 31.13 N ATOM 918 CA GLN A 61 -0.084 10.173 -4.387 1.00 11.31 C ATOM 919 C GLN A 61 0.971 9.072 -4.387 1.00 42.34 C ATOM 920 O GLN A 61 0.989 8.216 -3.504 1.00 73.41 O ATOM 921 CB GLN A 61 0.557 11.510 -4.009 1.00 74.00 C ATOM 922 CG GLN A 61 1.198 11.509 -2.631 1.00 10.12 C ATOM 923 CD GLN A 61 2.538 12.219 -2.610 1.00 75.31 C ATOM 924 OE1 GLN A 61 3.498 11.738 -2.008 1.00 44.14 O ATOM 925 NE2 GLN A 61 2.609 13.369 -3.269 1.00 55.22 N ATOM 0 H GLN A 61 -0.880 9.748 -2.494 1.00 31.13 H new ATOM 0 HA GLN A 61 -0.503 10.250 -5.390 1.00 11.31 H new ATOM 0 HB2 GLN A 61 1.313 11.764 -4.752 1.00 74.00 H new ATOM 0 HB3 GLN A 61 -0.202 12.291 -4.047 1.00 74.00 H new ATOM 0 HG2 GLN A 61 0.525 11.990 -1.921 1.00 10.12 H new ATOM 0 HG3 GLN A 61 1.331 10.480 -2.297 1.00 10.12 H new ATOM 0 HE21 GLN A 61 1.788 13.730 -3.754 1.00 55.22 H new ATOM 0 HE22 GLN A 61 3.485 13.891 -3.290 1.00 55.22 H new ATOM 934 N ALA A 62 1.849 9.102 -5.384 1.00 64.54 N ATOM 935 CA ALA A 62 2.909 8.107 -5.499 1.00 31.03 C ATOM 936 C ALA A 62 4.099 8.469 -4.617 1.00 30.24 C ATOM 937 O ALA A 62 5.218 8.635 -5.103 1.00 11.03 O ATOM 938 CB ALA A 62 3.348 7.967 -6.949 1.00 15.41 C ATOM 0 H ALA A 62 1.848 9.804 -6.124 1.00 64.54 H new ATOM 0 HA ALA A 62 2.514 7.150 -5.157 1.00 31.03 H new ATOM 0 HB1 ALA A 62 4.140 7.221 -7.019 1.00 15.41 H new ATOM 0 HB2 ALA A 62 2.499 7.654 -7.557 1.00 15.41 H new ATOM 0 HB3 ALA A 62 3.720 8.926 -7.311 1.00 15.41 H new ATOM 944 N LYS A 63 3.851 8.590 -3.317 1.00 12.41 N ATOM 945 CA LYS A 63 4.901 8.932 -2.366 1.00 5.15 C ATOM 946 C LYS A 63 6.175 8.143 -2.654 1.00 54.12 C ATOM 947 O LYS A 63 7.282 8.669 -2.543 1.00 42.25 O ATOM 948 CB LYS A 63 4.432 8.657 -0.935 1.00 52.42 C ATOM 949 CG LYS A 63 5.483 8.960 0.119 1.00 70.32 C ATOM 950 CD LYS A 63 5.503 7.899 1.207 1.00 51.13 C ATOM 951 CE LYS A 63 5.897 6.539 0.652 1.00 75.21 C ATOM 952 NZ LYS A 63 6.316 5.601 1.730 1.00 61.55 N ATOM 0 H LYS A 63 2.931 8.456 -2.898 1.00 12.41 H new ATOM 0 HA LYS A 63 5.120 9.994 -2.473 1.00 5.15 H new ATOM 0 HB2 LYS A 63 3.543 9.254 -0.732 1.00 52.42 H new ATOM 0 HB3 LYS A 63 4.138 7.611 -0.853 1.00 52.42 H new ATOM 0 HG2 LYS A 63 6.465 9.019 -0.351 1.00 70.32 H new ATOM 0 HG3 LYS A 63 5.283 9.935 0.564 1.00 70.32 H new ATOM 0 HD2 LYS A 63 6.204 8.191 1.989 1.00 51.13 H new ATOM 0 HD3 LYS A 63 4.519 7.833 1.670 1.00 51.13 H new ATOM 0 HE2 LYS A 63 5.056 6.112 0.106 1.00 75.21 H new ATOM 0 HE3 LYS A 63 6.712 6.660 -0.061 1.00 75.21 H new ATOM 0 HZ1 LYS A 63 6.577 4.685 1.311 1.00 61.55 H new ATOM 0 HZ2 LYS A 63 7.134 5.996 2.235 1.00 61.55 H new ATOM 0 HZ3 LYS A 63 5.530 5.465 2.397 1.00 61.55 H new ATOM 966 N LYS A 64 6.010 6.878 -3.026 1.00 53.22 N ATOM 967 CA LYS A 64 7.145 6.017 -3.334 1.00 31.50 C ATOM 968 C LYS A 64 6.907 5.245 -4.628 1.00 30.51 C ATOM 969 O LYS A 64 6.135 4.286 -4.658 1.00 23.35 O ATOM 970 CB LYS A 64 7.396 5.039 -2.183 1.00 44.34 C ATOM 971 CG LYS A 64 8.791 5.143 -1.591 1.00 41.20 C ATOM 972 CD LYS A 64 9.804 4.361 -2.410 1.00 24.14 C ATOM 973 CE LYS A 64 9.791 2.883 -2.049 1.00 10.43 C ATOM 974 NZ LYS A 64 10.453 2.626 -0.740 1.00 43.00 N ATOM 0 H LYS A 64 5.100 6.426 -3.121 1.00 53.22 H new ATOM 0 HA LYS A 64 8.024 6.649 -3.465 1.00 31.50 H new ATOM 0 HB2 LYS A 64 6.662 5.219 -1.397 1.00 44.34 H new ATOM 0 HB3 LYS A 64 7.237 4.022 -2.540 1.00 44.34 H new ATOM 0 HG2 LYS A 64 9.090 6.190 -1.544 1.00 41.20 H new ATOM 0 HG3 LYS A 64 8.782 4.768 -0.568 1.00 41.20 H new ATOM 0 HD2 LYS A 64 9.585 4.479 -3.471 1.00 24.14 H new ATOM 0 HD3 LYS A 64 10.801 4.769 -2.243 1.00 24.14 H new ATOM 0 HE2 LYS A 64 8.761 2.527 -2.011 1.00 10.43 H new ATOM 0 HE3 LYS A 64 10.296 2.314 -2.829 1.00 10.43 H new ATOM 0 HZ1 LYS A 64 10.606 1.604 -0.623 1.00 43.00 H new ATOM 0 HZ2 LYS A 64 11.368 3.119 -0.711 1.00 43.00 H new ATOM 0 HZ3 LYS A 64 9.847 2.976 0.030 1.00 43.00 H new ATOM 988 N VAL A 65 7.576 5.668 -5.696 1.00 32.22 N ATOM 989 CA VAL A 65 7.439 5.014 -6.992 1.00 51.40 C ATOM 990 C VAL A 65 8.680 4.195 -7.328 1.00 52.02 C ATOM 991 O VAL A 65 9.804 4.601 -7.032 1.00 15.51 O ATOM 992 CB VAL A 65 7.195 6.040 -8.115 1.00 10.33 C ATOM 993 CG1 VAL A 65 8.122 5.776 -9.291 1.00 24.31 C ATOM 994 CG2 VAL A 65 5.739 6.011 -8.556 1.00 23.24 C ATOM 0 H VAL A 65 8.218 6.460 -5.689 1.00 32.22 H new ATOM 0 HA VAL A 65 6.577 4.350 -6.922 1.00 51.40 H new ATOM 0 HB VAL A 65 7.414 7.035 -7.728 1.00 10.33 H new ATOM 0 HG11 VAL A 65 7.935 6.511 -10.074 1.00 24.31 H new ATOM 0 HG12 VAL A 65 9.158 5.853 -8.962 1.00 24.31 H new ATOM 0 HG13 VAL A 65 7.938 4.775 -9.681 1.00 24.31 H new ATOM 0 HG21 VAL A 65 5.585 6.742 -9.350 1.00 23.24 H new ATOM 0 HG22 VAL A 65 5.491 5.016 -8.926 1.00 23.24 H new ATOM 0 HG23 VAL A 65 5.097 6.254 -7.709 1.00 23.24 H new ATOM 1004 N ARG A 66 8.469 3.039 -7.949 1.00 54.11 N ATOM 1005 CA ARG A 66 9.570 2.162 -8.325 1.00 63.53 C ATOM 1006 C ARG A 66 9.420 1.688 -9.768 1.00 73.10 C ATOM 1007 O ARG A 66 8.313 1.403 -10.226 1.00 30.11 O ATOM 1008 CB ARG A 66 9.634 0.956 -7.386 1.00 0.14 C ATOM 1009 CG ARG A 66 10.342 1.245 -6.072 1.00 63.41 C ATOM 1010 CD ARG A 66 11.715 0.591 -6.024 1.00 13.30 C ATOM 1011 NE ARG A 66 12.638 1.185 -6.987 1.00 54.24 N ATOM 1012 CZ ARG A 66 13.735 0.577 -7.425 1.00 55.33 C ATOM 1013 NH1 ARG A 66 14.043 -0.636 -6.988 1.00 44.25 N ATOM 1014 NH2 ARG A 66 14.525 1.183 -8.303 1.00 32.24 N ATOM 0 H ARG A 66 7.545 2.688 -8.202 1.00 54.11 H new ATOM 0 HA ARG A 66 10.497 2.729 -8.241 1.00 63.53 H new ATOM 0 HB2 ARG A 66 8.620 0.616 -7.176 1.00 0.14 H new ATOM 0 HB3 ARG A 66 10.146 0.138 -7.893 1.00 0.14 H new ATOM 0 HG2 ARG A 66 10.446 2.322 -5.943 1.00 63.41 H new ATOM 0 HG3 ARG A 66 9.735 0.881 -5.243 1.00 63.41 H new ATOM 0 HD2 ARG A 66 12.127 0.687 -5.020 1.00 13.30 H new ATOM 0 HD3 ARG A 66 11.616 -0.475 -6.227 1.00 13.30 H new ATOM 0 HE ARG A 66 12.429 2.118 -7.343 1.00 54.24 H new ATOM 0 HH11 ARG A 66 13.437 -1.104 -6.314 1.00 44.25 H new ATOM 0 HH12 ARG A 66 14.886 -1.101 -7.326 1.00 44.25 H new ATOM 0 HH21 ARG A 66 14.290 2.116 -8.642 1.00 32.24 H new ATOM 0 HH22 ARG A 66 15.367 0.716 -8.639 1.00 32.24 H new ATOM 1028 N ARG A 67 10.540 1.607 -10.479 1.00 32.02 N ATOM 1029 CA ARG A 67 10.532 1.170 -11.870 1.00 21.24 C ATOM 1030 C ARG A 67 10.387 -0.346 -11.962 1.00 72.32 C ATOM 1031 O ARG A 67 11.054 -1.089 -11.241 1.00 13.33 O ATOM 1032 CB ARG A 67 11.816 1.614 -12.573 1.00 21.30 C ATOM 1033 CG ARG A 67 11.992 1.010 -13.957 1.00 3.12 C ATOM 1034 CD ARG A 67 13.009 1.787 -14.778 1.00 44.10 C ATOM 1035 NE ARG A 67 13.675 0.943 -15.766 1.00 72.44 N ATOM 1036 CZ ARG A 67 14.531 1.405 -16.671 1.00 33.20 C ATOM 1037 NH1 ARG A 67 14.824 2.697 -16.711 1.00 50.15 N ATOM 1038 NH2 ARG A 67 15.096 0.573 -17.537 1.00 53.42 N ATOM 0 H ARG A 67 11.464 1.838 -10.115 1.00 32.02 H new ATOM 0 HA ARG A 67 9.677 1.630 -12.365 1.00 21.24 H new ATOM 0 HB2 ARG A 67 11.817 2.701 -12.657 1.00 21.30 H new ATOM 0 HB3 ARG A 67 12.672 1.341 -11.955 1.00 21.30 H new ATOM 0 HG2 ARG A 67 12.314 -0.027 -13.864 1.00 3.12 H new ATOM 0 HG3 ARG A 67 11.034 1.001 -14.476 1.00 3.12 H new ATOM 0 HD2 ARG A 67 12.511 2.613 -15.284 1.00 44.10 H new ATOM 0 HD3 ARG A 67 13.754 2.224 -14.113 1.00 44.10 H new ATOM 0 HE ARG A 67 13.472 -0.057 -15.761 1.00 72.44 H new ATOM 0 HH11 ARG A 67 14.392 3.339 -16.046 1.00 50.15 H new ATOM 0 HH12 ARG A 67 15.481 3.050 -17.407 1.00 50.15 H new ATOM 0 HH21 ARG A 67 14.873 -0.422 -17.508 1.00 53.42 H new ATOM 0 HH22 ARG A 67 15.753 0.929 -18.231 1.00 53.42 H new ATOM 1052 N ILE A 68 9.511 -0.798 -12.854 1.00 22.24 N ATOM 1053 CA ILE A 68 9.279 -2.225 -13.040 1.00 63.03 C ATOM 1054 C ILE A 68 9.121 -2.568 -14.518 1.00 1.51 C ATOM 1055 O ILE A 68 8.080 -2.303 -15.119 1.00 60.34 O ATOM 1056 CB ILE A 68 8.026 -2.696 -12.279 1.00 23.13 C ATOM 1057 CG1 ILE A 68 8.002 -2.096 -10.872 1.00 4.15 C ATOM 1058 CG2 ILE A 68 7.986 -4.216 -12.213 1.00 44.41 C ATOM 1059 CD1 ILE A 68 9.032 -2.697 -9.940 1.00 73.55 C ATOM 0 H ILE A 68 8.951 -0.197 -13.458 1.00 22.24 H new ATOM 0 HA ILE A 68 10.152 -2.741 -12.640 1.00 63.03 H new ATOM 0 HB ILE A 68 7.142 -2.352 -12.816 1.00 23.13 H new ATOM 0 HG12 ILE A 68 8.170 -1.021 -10.941 1.00 4.15 H new ATOM 0 HG13 ILE A 68 7.010 -2.236 -10.443 1.00 4.15 H new ATOM 0 HG21 ILE A 68 7.095 -4.533 -11.672 1.00 44.41 H new ATOM 0 HG22 ILE A 68 7.961 -4.624 -13.224 1.00 44.41 H new ATOM 0 HG23 ILE A 68 8.873 -4.581 -11.696 1.00 44.41 H new ATOM 0 HD11 ILE A 68 8.957 -2.224 -8.961 1.00 73.55 H new ATOM 0 HD12 ILE A 68 8.852 -3.767 -9.840 1.00 73.55 H new ATOM 0 HD13 ILE A 68 10.030 -2.533 -10.347 1.00 73.55 H new