USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 451 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 7 LYS NZ :NH3+ -103:sc= 1.15 (180deg=-0.462) USER MOD Single : A 10 ASN : amide:sc= -0.619 K(o=-0.62,f=-1.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.15 K(o=-4.2,f=-5!) USER MOD Single : A 20 GLN : amide:sc= -2.94 K(o=-2.9,f=-3.7!) USER MOD Single : A 29 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-2.9) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 42 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.035) USER MOD Single : A 46 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.043) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.676) USER MOD Single : A 61 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.1!) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.4 (180deg=-0.705) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.593 -2.436 -2.078 1.00 61.21 N ATOM 19 CA LYS A 2 3.672 -3.409 -2.199 1.00 21.31 C ATOM 20 C LYS A 2 4.157 -3.507 -3.642 1.00 25.34 C ATOM 21 O LYS A 2 3.444 -3.136 -4.574 1.00 45.02 O ATOM 22 CB LYS A 2 3.205 -4.783 -1.712 1.00 54.15 C ATOM 23 CG LYS A 2 3.080 -4.883 -0.202 1.00 74.21 C ATOM 24 CD LYS A 2 4.408 -4.617 0.486 1.00 32.43 C ATOM 25 CE LYS A 2 4.374 -5.044 1.946 1.00 64.22 C ATOM 26 NZ LYS A 2 5.711 -5.498 2.422 1.00 54.22 N ATOM 0 HA LYS A 2 4.502 -3.073 -1.577 1.00 21.31 H new ATOM 0 HB2 LYS A 2 2.240 -5.010 -2.164 1.00 54.15 H new ATOM 0 HB3 LYS A 2 3.907 -5.541 -2.061 1.00 54.15 H new ATOM 0 HG2 LYS A 2 2.337 -4.168 0.151 1.00 74.21 H new ATOM 0 HG3 LYS A 2 2.721 -5.876 0.069 1.00 74.21 H new ATOM 0 HD2 LYS A 2 5.202 -5.154 -0.033 1.00 32.43 H new ATOM 0 HD3 LYS A 2 4.646 -3.555 0.422 1.00 32.43 H new ATOM 0 HE2 LYS A 2 4.033 -4.211 2.560 1.00 64.22 H new ATOM 0 HE3 LYS A 2 3.651 -5.850 2.072 1.00 64.22 H new ATOM 0 HZ1 LYS A 2 5.646 -5.780 3.421 1.00 54.22 H new ATOM 0 HZ2 LYS A 2 6.025 -6.309 1.852 1.00 54.22 H new ATOM 0 HZ3 LYS A 2 6.396 -4.721 2.326 1.00 54.22 H new ATOM 40 N LYS A 3 5.374 -4.011 -3.819 1.00 3.22 N ATOM 41 CA LYS A 3 5.955 -4.161 -5.148 1.00 13.20 C ATOM 42 C LYS A 3 6.123 -5.634 -5.505 1.00 22.21 C ATOM 43 O LYS A 3 6.603 -6.428 -4.696 1.00 54.13 O ATOM 44 CB LYS A 3 7.308 -3.450 -5.219 1.00 51.22 C ATOM 45 CG LYS A 3 7.309 -2.077 -4.570 1.00 15.31 C ATOM 46 CD LYS A 3 8.700 -1.468 -4.555 1.00 5.42 C ATOM 47 CE LYS A 3 9.550 -2.046 -3.433 1.00 52.23 C ATOM 48 NZ LYS A 3 10.849 -1.331 -3.296 1.00 52.40 N ATOM 0 H LYS A 3 5.977 -4.323 -3.058 1.00 3.22 H new ATOM 0 HA LYS A 3 5.275 -3.706 -5.868 1.00 13.20 H new ATOM 0 HB2 LYS A 3 8.061 -4.072 -4.735 1.00 51.22 H new ATOM 0 HB3 LYS A 3 7.601 -3.349 -6.264 1.00 51.22 H new ATOM 0 HG2 LYS A 3 6.628 -1.418 -5.109 1.00 15.31 H new ATOM 0 HG3 LYS A 3 6.934 -2.156 -3.549 1.00 15.31 H new ATOM 0 HD2 LYS A 3 9.188 -1.649 -5.513 1.00 5.42 H new ATOM 0 HD3 LYS A 3 8.624 -0.387 -4.435 1.00 5.42 H new ATOM 0 HE2 LYS A 3 9.001 -1.985 -2.493 1.00 52.23 H new ATOM 0 HE3 LYS A 3 9.736 -3.103 -3.626 1.00 52.23 H new ATOM 0 HZ1 LYS A 3 11.398 -1.755 -2.521 1.00 52.40 H new ATOM 0 HZ2 LYS A 3 11.384 -1.411 -4.184 1.00 52.40 H new ATOM 0 HZ3 LYS A 3 10.673 -0.328 -3.087 1.00 52.40 H new ATOM 62 N GLY A 4 5.727 -5.993 -6.722 1.00 51.25 N ATOM 63 CA GLY A 4 5.844 -7.370 -7.165 1.00 52.10 C ATOM 64 C GLY A 4 5.761 -7.503 -8.673 1.00 23.43 C ATOM 65 O GLY A 4 5.469 -6.535 -9.375 1.00 10.21 O ATOM 0 H GLY A 4 5.327 -5.354 -7.410 1.00 51.25 H new ATOM 0 HA2 GLY A 4 6.793 -7.780 -6.819 1.00 52.10 H new ATOM 0 HA3 GLY A 4 5.053 -7.964 -6.707 1.00 52.10 H new ATOM 69 N THR A 5 6.021 -8.707 -9.174 1.00 20.10 N ATOM 70 CA THR A 5 5.978 -8.963 -10.608 1.00 34.50 C ATOM 71 C THR A 5 4.540 -9.072 -11.104 1.00 22.33 C ATOM 72 O THR A 5 3.641 -9.452 -10.353 1.00 61.14 O ATOM 73 CB THR A 5 6.733 -10.256 -10.971 1.00 0.13 C ATOM 74 OG1 THR A 5 6.516 -11.250 -9.963 1.00 12.41 O ATOM 75 CG2 THR A 5 8.224 -9.989 -11.114 1.00 72.21 C ATOM 0 H THR A 5 6.264 -9.520 -8.607 1.00 20.10 H new ATOM 0 HA THR A 5 6.465 -8.118 -11.095 1.00 34.50 H new ATOM 0 HB THR A 5 6.351 -10.618 -11.925 1.00 0.13 H new ATOM 0 HG1 THR A 5 6.998 -12.069 -10.202 1.00 12.41 H new ATOM 0 HG21 THR A 5 8.737 -10.916 -11.370 1.00 72.21 H new ATOM 0 HG22 THR A 5 8.388 -9.254 -11.902 1.00 72.21 H new ATOM 0 HG23 THR A 5 8.617 -9.606 -10.172 1.00 72.21 H new ATOM 83 N VAL A 6 4.330 -8.737 -12.373 1.00 32.32 N ATOM 84 CA VAL A 6 3.001 -8.799 -12.970 1.00 30.34 C ATOM 85 C VAL A 6 2.786 -10.122 -13.697 1.00 22.04 C ATOM 86 O VAL A 6 3.597 -10.523 -14.532 1.00 54.14 O ATOM 87 CB VAL A 6 2.775 -7.640 -13.958 1.00 61.14 C ATOM 88 CG1 VAL A 6 3.672 -7.795 -15.177 1.00 73.43 C ATOM 89 CG2 VAL A 6 1.312 -7.568 -14.368 1.00 40.54 C ATOM 0 H VAL A 6 5.063 -8.420 -13.007 1.00 32.32 H new ATOM 0 HA VAL A 6 2.283 -8.716 -12.154 1.00 30.34 H new ATOM 0 HB VAL A 6 3.036 -6.705 -13.461 1.00 61.14 H new ATOM 0 HG11 VAL A 6 3.498 -6.967 -15.864 1.00 73.43 H new ATOM 0 HG12 VAL A 6 4.716 -7.793 -14.863 1.00 73.43 H new ATOM 0 HG13 VAL A 6 3.445 -8.736 -15.678 1.00 73.43 H new ATOM 0 HG21 VAL A 6 1.170 -6.743 -15.066 1.00 40.54 H new ATOM 0 HG22 VAL A 6 1.022 -8.503 -14.847 1.00 40.54 H new ATOM 0 HG23 VAL A 6 0.694 -7.406 -13.485 1.00 40.54 H new ATOM 99 N LYS A 7 1.688 -10.797 -13.373 1.00 43.03 N ATOM 100 CA LYS A 7 1.364 -12.075 -13.996 1.00 50.21 C ATOM 101 C LYS A 7 0.929 -11.879 -15.445 1.00 64.21 C ATOM 102 O LYS A 7 1.270 -12.678 -16.318 1.00 11.50 O ATOM 103 CB LYS A 7 0.256 -12.782 -13.211 1.00 44.53 C ATOM 104 CG LYS A 7 0.340 -14.297 -13.272 1.00 53.12 C ATOM 105 CD LYS A 7 -0.282 -14.939 -12.044 1.00 31.34 C ATOM 106 CE LYS A 7 -1.707 -14.456 -11.823 1.00 11.23 C ATOM 107 NZ LYS A 7 -2.650 -15.588 -11.607 1.00 21.14 N ATOM 0 H LYS A 7 1.007 -10.480 -12.682 1.00 43.03 H new ATOM 0 HA LYS A 7 2.261 -12.694 -13.985 1.00 50.21 H new ATOM 0 HB2 LYS A 7 0.302 -12.466 -12.169 1.00 44.53 H new ATOM 0 HB3 LYS A 7 -0.712 -12.464 -13.598 1.00 44.53 H new ATOM 0 HG2 LYS A 7 -0.168 -14.655 -14.168 1.00 53.12 H new ATOM 0 HG3 LYS A 7 1.383 -14.602 -13.354 1.00 53.12 H new ATOM 0 HD2 LYS A 7 -0.278 -16.023 -12.157 1.00 31.34 H new ATOM 0 HD3 LYS A 7 0.322 -14.708 -11.166 1.00 31.34 H new ATOM 0 HE2 LYS A 7 -1.735 -13.791 -10.960 1.00 11.23 H new ATOM 0 HE3 LYS A 7 -2.031 -13.873 -12.686 1.00 11.23 H new ATOM 0 HZ1 LYS A 7 -3.198 -15.754 -12.475 1.00 21.14 H new ATOM 0 HZ2 LYS A 7 -2.113 -16.446 -11.366 1.00 21.14 H new ATOM 0 HZ3 LYS A 7 -3.299 -15.356 -10.828 1.00 21.14 H new ATOM 121 N TRP A 8 0.178 -10.813 -15.693 1.00 53.13 N ATOM 122 CA TRP A 8 -0.302 -10.512 -17.038 1.00 22.24 C ATOM 123 C TRP A 8 -1.050 -9.184 -17.064 1.00 42.14 C ATOM 124 O TRP A 8 -1.646 -8.776 -16.068 1.00 35.24 O ATOM 125 CB TRP A 8 -1.212 -11.634 -17.540 1.00 21.45 C ATOM 126 CG TRP A 8 -2.410 -11.861 -16.669 1.00 35.43 C ATOM 127 CD1 TRP A 8 -3.410 -10.970 -16.402 1.00 74.21 C ATOM 128 CD2 TRP A 8 -2.733 -13.056 -15.949 1.00 70.53 C ATOM 129 NE1 TRP A 8 -4.335 -11.539 -15.560 1.00 72.41 N ATOM 130 CE2 TRP A 8 -3.943 -12.819 -15.268 1.00 51.04 C ATOM 131 CE3 TRP A 8 -2.119 -14.304 -15.816 1.00 22.55 C ATOM 132 CZ2 TRP A 8 -4.547 -13.784 -14.466 1.00 52.53 C ATOM 133 CZ3 TRP A 8 -2.719 -15.261 -15.019 1.00 15.41 C ATOM 134 CH2 TRP A 8 -3.924 -14.996 -14.353 1.00 61.52 C ATOM 0 H TRP A 8 -0.112 -10.142 -14.982 1.00 53.13 H new ATOM 0 HA TRP A 8 0.563 -10.433 -17.697 1.00 22.24 H new ATOM 0 HB2 TRP A 8 -1.546 -11.397 -18.550 1.00 21.45 H new ATOM 0 HB3 TRP A 8 -0.637 -12.558 -17.603 1.00 21.45 H new ATOM 0 HD1 TRP A 8 -3.466 -9.966 -16.795 1.00 74.21 H new ATOM 0 HE1 TRP A 8 -5.177 -11.082 -15.209 1.00 72.41 H new ATOM 0 HE3 TRP A 8 -1.192 -14.517 -16.327 1.00 22.55 H new ATOM 0 HZ2 TRP A 8 -5.475 -13.582 -13.951 1.00 52.53 H new ATOM 0 HZ3 TRP A 8 -2.252 -16.228 -14.908 1.00 15.41 H new ATOM 0 HH2 TRP A 8 -4.369 -15.765 -13.738 1.00 61.52 H new ATOM 145 N PHE A 9 -1.014 -8.513 -18.211 1.00 12.43 N ATOM 146 CA PHE A 9 -1.689 -7.229 -18.366 1.00 63.13 C ATOM 147 C PHE A 9 -2.314 -7.108 -19.753 1.00 43.20 C ATOM 148 O PHE A 9 -1.631 -6.799 -20.728 1.00 64.34 O ATOM 149 CB PHE A 9 -0.704 -6.081 -18.136 1.00 15.51 C ATOM 150 CG PHE A 9 -1.363 -4.733 -18.059 1.00 52.13 C ATOM 151 CD1 PHE A 9 -1.608 -4.000 -19.210 1.00 31.44 C ATOM 152 CD2 PHE A 9 -1.737 -4.198 -16.837 1.00 31.31 C ATOM 153 CE1 PHE A 9 -2.214 -2.760 -19.143 1.00 34.03 C ATOM 154 CE2 PHE A 9 -2.344 -2.959 -16.764 1.00 11.11 C ATOM 155 CZ PHE A 9 -2.582 -2.238 -17.918 1.00 20.30 C ATOM 0 H PHE A 9 -0.525 -8.837 -19.046 1.00 12.43 H new ATOM 0 HA PHE A 9 -2.484 -7.171 -17.622 1.00 63.13 H new ATOM 0 HB2 PHE A 9 -0.156 -6.262 -17.211 1.00 15.51 H new ATOM 0 HB3 PHE A 9 0.028 -6.073 -18.944 1.00 15.51 H new ATOM 0 HD1 PHE A 9 -1.322 -4.403 -20.170 1.00 31.44 H new ATOM 0 HD2 PHE A 9 -1.552 -4.756 -15.931 1.00 31.31 H new ATOM 0 HE1 PHE A 9 -2.400 -2.200 -20.047 1.00 34.03 H new ATOM 0 HE2 PHE A 9 -2.632 -2.554 -15.805 1.00 11.11 H new ATOM 0 HZ PHE A 9 -3.055 -1.268 -17.863 1.00 20.30 H new ATOM 165 N ASN A 10 -3.618 -7.354 -19.831 1.00 45.34 N ATOM 166 CA ASN A 10 -4.336 -7.273 -21.098 1.00 64.42 C ATOM 167 C ASN A 10 -4.720 -5.831 -21.415 1.00 71.31 C ATOM 168 O ASN A 10 -5.458 -5.196 -20.663 1.00 55.44 O ATOM 169 CB ASN A 10 -5.589 -8.149 -21.054 1.00 73.31 C ATOM 170 CG ASN A 10 -6.026 -8.604 -22.434 1.00 10.45 C ATOM 171 OD1 ASN A 10 -5.230 -8.626 -23.373 1.00 34.13 O ATOM 172 ND2 ASN A 10 -7.297 -8.968 -22.561 1.00 64.14 N ATOM 0 H ASN A 10 -4.198 -7.611 -19.033 1.00 45.34 H new ATOM 0 HA ASN A 10 -3.675 -7.635 -21.886 1.00 64.42 H new ATOM 0 HB2 ASN A 10 -5.397 -9.022 -20.431 1.00 73.31 H new ATOM 0 HB3 ASN A 10 -6.401 -7.594 -20.584 1.00 73.31 H new ATOM 0 HD21 ASN A 10 -7.650 -9.282 -23.465 1.00 64.14 H new ATOM 0 HD22 ASN A 10 -7.920 -8.933 -21.754 1.00 64.14 H new ATOM 179 N ALA A 11 -4.214 -5.322 -22.534 1.00 34.04 N ATOM 180 CA ALA A 11 -4.507 -3.957 -22.952 1.00 3.43 C ATOM 181 C ALA A 11 -5.846 -3.879 -23.676 1.00 72.24 C ATOM 182 O ALA A 11 -6.457 -2.814 -23.757 1.00 34.32 O ATOM 183 CB ALA A 11 -3.392 -3.427 -23.841 1.00 43.12 C ATOM 0 H ALA A 11 -3.600 -5.834 -23.167 1.00 34.04 H new ATOM 0 HA ALA A 11 -4.571 -3.336 -22.059 1.00 3.43 H new ATOM 0 HB1 ALA A 11 -3.624 -2.407 -24.146 1.00 43.12 H new ATOM 0 HB2 ALA A 11 -2.452 -3.436 -23.290 1.00 43.12 H new ATOM 0 HB3 ALA A 11 -3.301 -4.058 -24.725 1.00 43.12 H new ATOM 189 N GLU A 12 -6.296 -5.014 -24.203 1.00 24.23 N ATOM 190 CA GLU A 12 -7.563 -5.073 -24.922 1.00 45.22 C ATOM 191 C GLU A 12 -8.727 -4.714 -24.003 1.00 70.55 C ATOM 192 O GLU A 12 -9.716 -4.123 -24.437 1.00 71.21 O ATOM 193 CB GLU A 12 -7.775 -6.468 -25.513 1.00 31.44 C ATOM 194 CG GLU A 12 -7.030 -6.697 -26.817 1.00 32.40 C ATOM 195 CD GLU A 12 -7.419 -5.702 -27.893 1.00 63.21 C ATOM 196 OE1 GLU A 12 -8.611 -5.662 -28.263 1.00 24.50 O ATOM 197 OE2 GLU A 12 -6.530 -4.963 -28.365 1.00 43.22 O ATOM 0 H GLU A 12 -5.802 -5.904 -24.145 1.00 24.23 H new ATOM 0 HA GLU A 12 -7.526 -4.346 -25.733 1.00 45.22 H new ATOM 0 HB2 GLU A 12 -7.455 -7.214 -24.786 1.00 31.44 H new ATOM 0 HB3 GLU A 12 -8.841 -6.624 -25.681 1.00 31.44 H new ATOM 0 HG2 GLU A 12 -5.957 -6.629 -26.635 1.00 32.40 H new ATOM 0 HG3 GLU A 12 -7.230 -7.708 -27.173 1.00 32.40 H new ATOM 204 N LYS A 13 -8.603 -5.077 -22.731 1.00 65.34 N ATOM 205 CA LYS A 13 -9.643 -4.795 -21.749 1.00 44.33 C ATOM 206 C LYS A 13 -9.211 -3.675 -20.807 1.00 34.51 C ATOM 207 O LYS A 13 -10.015 -2.822 -20.433 1.00 24.15 O ATOM 208 CB LYS A 13 -9.970 -6.055 -20.945 1.00 63.14 C ATOM 209 CG LYS A 13 -10.396 -7.232 -21.806 1.00 2.11 C ATOM 210 CD LYS A 13 -11.559 -7.986 -21.183 1.00 52.44 C ATOM 211 CE LYS A 13 -12.186 -8.957 -22.171 1.00 73.24 C ATOM 212 NZ LYS A 13 -13.091 -8.266 -23.131 1.00 41.31 N ATOM 0 H LYS A 13 -7.791 -5.568 -22.356 1.00 65.34 H new ATOM 0 HA LYS A 13 -10.536 -4.472 -22.284 1.00 44.33 H new ATOM 0 HB2 LYS A 13 -9.095 -6.341 -20.361 1.00 63.14 H new ATOM 0 HB3 LYS A 13 -10.766 -5.827 -20.236 1.00 63.14 H new ATOM 0 HG2 LYS A 13 -10.681 -6.876 -22.796 1.00 2.11 H new ATOM 0 HG3 LYS A 13 -9.553 -7.909 -21.941 1.00 2.11 H new ATOM 0 HD2 LYS A 13 -11.212 -8.531 -20.305 1.00 52.44 H new ATOM 0 HD3 LYS A 13 -12.312 -7.277 -20.840 1.00 52.44 H new ATOM 0 HE2 LYS A 13 -11.399 -9.473 -22.721 1.00 73.24 H new ATOM 0 HE3 LYS A 13 -12.746 -9.717 -21.627 1.00 73.24 H new ATOM 0 HZ1 LYS A 13 -13.498 -8.963 -23.787 1.00 41.31 H new ATOM 0 HZ2 LYS A 13 -13.856 -7.794 -22.608 1.00 41.31 H new ATOM 0 HZ3 LYS A 13 -12.551 -7.558 -23.669 1.00 41.31 H new ATOM 226 N GLY A 14 -7.937 -3.685 -20.428 1.00 41.20 N ATOM 227 CA GLY A 14 -7.421 -2.665 -19.534 1.00 13.22 C ATOM 228 C GLY A 14 -7.356 -3.135 -18.094 1.00 63.13 C ATOM 229 O GLY A 14 -7.739 -2.407 -17.178 1.00 72.41 O ATOM 0 H GLY A 14 -7.253 -4.381 -20.724 1.00 41.20 H new ATOM 0 HA2 GLY A 14 -6.424 -2.369 -19.862 1.00 13.22 H new ATOM 0 HA3 GLY A 14 -8.053 -1.779 -19.596 1.00 13.22 H new ATOM 233 N TYR A 15 -6.870 -4.355 -17.894 1.00 32.11 N ATOM 234 CA TYR A 15 -6.760 -4.923 -16.556 1.00 23.53 C ATOM 235 C TYR A 15 -5.498 -5.771 -16.426 1.00 61.23 C ATOM 236 O TYR A 15 -4.858 -6.109 -17.422 1.00 35.15 O ATOM 237 CB TYR A 15 -7.992 -5.771 -16.235 1.00 71.15 C ATOM 238 CG TYR A 15 -7.930 -7.170 -16.806 1.00 25.14 C ATOM 239 CD1 TYR A 15 -7.861 -7.380 -18.177 1.00 72.32 C ATOM 240 CD2 TYR A 15 -7.938 -8.282 -15.972 1.00 42.12 C ATOM 241 CE1 TYR A 15 -7.805 -8.657 -18.702 1.00 43.33 C ATOM 242 CE2 TYR A 15 -7.880 -9.562 -16.488 1.00 72.14 C ATOM 243 CZ TYR A 15 -7.814 -9.744 -17.854 1.00 32.30 C ATOM 244 OH TYR A 15 -7.757 -11.017 -18.373 1.00 64.41 O ATOM 0 H TYR A 15 -6.546 -4.969 -18.641 1.00 32.11 H new ATOM 0 HA TYR A 15 -6.698 -4.100 -15.844 1.00 23.53 H new ATOM 0 HB2 TYR A 15 -8.107 -5.834 -15.153 1.00 71.15 H new ATOM 0 HB3 TYR A 15 -8.879 -5.269 -16.621 1.00 71.15 H new ATOM 0 HD1 TYR A 15 -7.851 -6.531 -18.844 1.00 72.32 H new ATOM 0 HD2 TYR A 15 -7.990 -8.143 -14.902 1.00 42.12 H new ATOM 0 HE1 TYR A 15 -7.754 -8.803 -19.771 1.00 43.33 H new ATOM 0 HE2 TYR A 15 -7.886 -10.415 -15.826 1.00 72.14 H new ATOM 0 HH TYR A 15 -7.771 -11.669 -17.642 1.00 64.41 H new ATOM 254 N GLY A 16 -5.146 -6.112 -15.190 1.00 61.23 N ATOM 255 CA GLY A 16 -3.963 -6.918 -14.952 1.00 3.15 C ATOM 256 C GLY A 16 -3.946 -7.526 -13.563 1.00 4.51 C ATOM 257 O GLY A 16 -4.844 -7.279 -12.758 1.00 74.14 O ATOM 0 H GLY A 16 -5.659 -5.845 -14.350 1.00 61.23 H new ATOM 0 HA2 GLY A 16 -3.914 -7.714 -15.695 1.00 3.15 H new ATOM 0 HA3 GLY A 16 -3.074 -6.302 -15.087 1.00 3.15 H new ATOM 261 N PHE A 17 -2.921 -8.324 -13.281 1.00 12.55 N ATOM 262 CA PHE A 17 -2.792 -8.971 -11.980 1.00 50.31 C ATOM 263 C PHE A 17 -1.336 -8.986 -11.522 1.00 55.14 C ATOM 264 O PHE A 17 -0.457 -9.477 -12.231 1.00 51.51 O ATOM 265 CB PHE A 17 -3.334 -10.400 -12.042 1.00 61.32 C ATOM 266 CG PHE A 17 -4.828 -10.481 -11.909 1.00 23.41 C ATOM 267 CD1 PHE A 17 -5.652 -10.082 -12.949 1.00 30.43 C ATOM 268 CD2 PHE A 17 -5.408 -10.956 -10.744 1.00 23.34 C ATOM 269 CE1 PHE A 17 -7.027 -10.156 -12.829 1.00 71.15 C ATOM 270 CE2 PHE A 17 -6.782 -11.033 -10.619 1.00 10.32 C ATOM 271 CZ PHE A 17 -7.593 -10.631 -11.662 1.00 43.15 C ATOM 0 H PHE A 17 -2.168 -8.538 -13.935 1.00 12.55 H new ATOM 0 HA PHE A 17 -3.375 -8.400 -11.258 1.00 50.31 H new ATOM 0 HB2 PHE A 17 -3.036 -10.852 -12.988 1.00 61.32 H new ATOM 0 HB3 PHE A 17 -2.874 -10.989 -11.249 1.00 61.32 H new ATOM 0 HD1 PHE A 17 -5.215 -9.709 -13.864 1.00 30.43 H new ATOM 0 HD2 PHE A 17 -4.779 -11.270 -9.924 1.00 23.34 H new ATOM 0 HE1 PHE A 17 -7.658 -9.843 -13.647 1.00 71.15 H new ATOM 0 HE2 PHE A 17 -7.221 -11.407 -9.706 1.00 10.32 H new ATOM 0 HZ PHE A 17 -8.667 -10.688 -11.565 1.00 43.15 H new ATOM 281 N ILE A 18 -1.091 -8.445 -10.334 1.00 3.11 N ATOM 282 CA ILE A 18 0.257 -8.397 -9.781 1.00 42.42 C ATOM 283 C ILE A 18 0.345 -9.181 -8.477 1.00 33.15 C ATOM 284 O ILE A 18 -0.637 -9.297 -7.744 1.00 13.41 O ATOM 285 CB ILE A 18 0.710 -6.947 -9.527 1.00 15.45 C ATOM 286 CG1 ILE A 18 0.453 -6.085 -10.764 1.00 44.54 C ATOM 287 CG2 ILE A 18 2.182 -6.910 -9.144 1.00 73.45 C ATOM 288 CD1 ILE A 18 0.066 -4.659 -10.438 1.00 63.05 C ATOM 0 H ILE A 18 -1.808 -8.034 -9.736 1.00 3.11 H new ATOM 0 HA ILE A 18 0.917 -8.851 -10.520 1.00 42.42 H new ATOM 0 HB ILE A 18 0.130 -6.541 -8.698 1.00 15.45 H new ATOM 0 HG12 ILE A 18 1.350 -6.077 -11.384 1.00 44.54 H new ATOM 0 HG13 ILE A 18 -0.340 -6.542 -11.357 1.00 44.54 H new ATOM 0 HG21 ILE A 18 2.486 -5.878 -8.968 1.00 73.45 H new ATOM 0 HG22 ILE A 18 2.337 -7.494 -8.237 1.00 73.45 H new ATOM 0 HG23 ILE A 18 2.779 -7.331 -9.953 1.00 73.45 H new ATOM 0 HD11 ILE A 18 -0.101 -4.107 -11.363 1.00 63.05 H new ATOM 0 HD12 ILE A 18 -0.848 -4.657 -9.844 1.00 63.05 H new ATOM 0 HD13 ILE A 18 0.868 -4.185 -9.872 1.00 63.05 H new ATOM 300 N GLN A 19 1.528 -9.717 -8.193 1.00 14.43 N ATOM 301 CA GLN A 19 1.743 -10.489 -6.975 1.00 64.42 C ATOM 302 C GLN A 19 3.015 -10.039 -6.263 1.00 34.22 C ATOM 303 O GLN A 19 4.086 -9.979 -6.865 1.00 50.03 O ATOM 304 CB GLN A 19 1.829 -11.981 -7.301 1.00 74.54 C ATOM 305 CG GLN A 19 2.603 -12.283 -8.574 1.00 44.31 C ATOM 306 CD GLN A 19 1.756 -12.974 -9.624 1.00 35.14 C ATOM 307 OE1 GLN A 19 2.218 -13.886 -10.310 1.00 40.31 O ATOM 308 NE2 GLN A 19 0.506 -12.543 -9.754 1.00 22.23 N ATOM 0 H GLN A 19 2.351 -9.631 -8.789 1.00 14.43 H new ATOM 0 HA GLN A 19 0.896 -10.317 -6.311 1.00 64.42 H new ATOM 0 HB2 GLN A 19 2.302 -12.500 -6.467 1.00 74.54 H new ATOM 0 HB3 GLN A 19 0.820 -12.382 -7.396 1.00 74.54 H new ATOM 0 HG2 GLN A 19 2.996 -11.353 -8.985 1.00 44.31 H new ATOM 0 HG3 GLN A 19 3.460 -12.912 -8.333 1.00 44.31 H new ATOM 0 HE21 GLN A 19 0.164 -11.784 -9.164 1.00 22.23 H new ATOM 0 HE22 GLN A 19 -0.112 -12.971 -10.443 1.00 22.23 H new ATOM 317 N GLN A 20 2.887 -9.724 -4.978 1.00 11.00 N ATOM 318 CA GLN A 20 4.026 -9.278 -4.185 1.00 21.15 C ATOM 319 C GLN A 20 4.655 -10.445 -3.431 1.00 32.42 C ATOM 320 O GLN A 20 4.330 -11.605 -3.682 1.00 35.20 O ATOM 321 CB GLN A 20 3.594 -8.192 -3.198 1.00 35.22 C ATOM 322 CG GLN A 20 2.548 -8.660 -2.198 1.00 63.00 C ATOM 323 CD GLN A 20 1.171 -8.098 -2.488 1.00 75.11 C ATOM 324 OE1 GLN A 20 0.412 -8.660 -3.280 1.00 5.45 O ATOM 325 NE2 GLN A 20 0.838 -6.984 -1.847 1.00 45.42 N ATOM 0 H GLN A 20 2.007 -9.769 -4.465 1.00 11.00 H new ATOM 0 HA GLN A 20 4.770 -8.865 -4.866 1.00 21.15 H new ATOM 0 HB2 GLN A 20 4.470 -7.836 -2.655 1.00 35.22 H new ATOM 0 HB3 GLN A 20 3.198 -7.343 -3.755 1.00 35.22 H new ATOM 0 HG2 GLN A 20 2.502 -9.749 -2.209 1.00 63.00 H new ATOM 0 HG3 GLN A 20 2.853 -8.364 -1.194 1.00 63.00 H new ATOM 0 HE21 GLN A 20 1.497 -6.552 -1.200 1.00 45.42 H new ATOM 0 HE22 GLN A 20 -0.077 -6.561 -2.002 1.00 45.42 H new ATOM 397 N VAL A 26 -3.244 -9.513 -7.250 1.00 62.35 N ATOM 398 CA VAL A 26 -4.068 -8.353 -6.933 1.00 21.22 C ATOM 399 C VAL A 26 -4.835 -7.871 -8.159 1.00 63.41 C ATOM 400 O VAL A 26 -4.393 -8.058 -9.293 1.00 55.34 O ATOM 401 CB VAL A 26 -3.216 -7.193 -6.385 1.00 0.21 C ATOM 402 CG1 VAL A 26 -3.024 -6.123 -7.449 1.00 2.33 C ATOM 403 CG2 VAL A 26 -3.856 -6.606 -5.136 1.00 52.21 C ATOM 0 HA VAL A 26 -4.776 -8.668 -6.167 1.00 21.22 H new ATOM 0 HB VAL A 26 -2.235 -7.582 -6.114 1.00 0.21 H new ATOM 0 HG11 VAL A 26 -2.420 -5.311 -7.044 1.00 2.33 H new ATOM 0 HG12 VAL A 26 -2.519 -6.555 -8.313 1.00 2.33 H new ATOM 0 HG13 VAL A 26 -3.996 -5.735 -7.754 1.00 2.33 H new ATOM 0 HG21 VAL A 26 -3.241 -5.788 -4.762 1.00 52.21 H new ATOM 0 HG22 VAL A 26 -4.850 -6.231 -5.379 1.00 52.21 H new ATOM 0 HG23 VAL A 26 -3.936 -7.378 -4.371 1.00 52.21 H new ATOM 413 N PHE A 27 -5.986 -7.250 -7.924 1.00 63.21 N ATOM 414 CA PHE A 27 -6.815 -6.741 -9.010 1.00 34.31 C ATOM 415 C PHE A 27 -6.374 -5.340 -9.421 1.00 1.43 C ATOM 416 O PHE A 27 -6.477 -4.391 -8.643 1.00 21.03 O ATOM 417 CB PHE A 27 -8.287 -6.722 -8.590 1.00 63.20 C ATOM 418 CG PHE A 27 -9.239 -6.615 -9.747 1.00 22.43 C ATOM 419 CD1 PHE A 27 -9.346 -7.643 -10.670 1.00 43.43 C ATOM 420 CD2 PHE A 27 -10.027 -5.487 -9.911 1.00 24.33 C ATOM 421 CE1 PHE A 27 -10.221 -7.548 -11.736 1.00 12.43 C ATOM 422 CE2 PHE A 27 -10.904 -5.387 -10.974 1.00 11.03 C ATOM 423 CZ PHE A 27 -11.001 -6.418 -11.888 1.00 44.31 C ATOM 0 H PHE A 27 -6.366 -7.087 -6.991 1.00 63.21 H new ATOM 0 HA PHE A 27 -6.696 -7.405 -9.866 1.00 34.31 H new ATOM 0 HB2 PHE A 27 -8.509 -7.631 -8.030 1.00 63.20 H new ATOM 0 HB3 PHE A 27 -8.453 -5.883 -7.914 1.00 63.20 H new ATOM 0 HD1 PHE A 27 -8.739 -8.529 -10.555 1.00 43.43 H new ATOM 0 HD2 PHE A 27 -9.955 -4.677 -9.200 1.00 24.33 H new ATOM 0 HE1 PHE A 27 -10.295 -8.356 -12.449 1.00 12.43 H new ATOM 0 HE2 PHE A 27 -11.513 -4.503 -11.090 1.00 11.03 H new ATOM 0 HZ PHE A 27 -11.685 -6.341 -12.720 1.00 44.31 H new ATOM 433 N VAL A 28 -5.881 -5.217 -10.649 1.00 61.11 N ATOM 434 CA VAL A 28 -5.424 -3.932 -11.165 1.00 22.32 C ATOM 435 C VAL A 28 -6.146 -3.571 -12.458 1.00 2.21 C ATOM 436 O VAL A 28 -6.596 -4.447 -13.196 1.00 62.54 O ATOM 437 CB VAL A 28 -3.905 -3.939 -11.422 1.00 72.13 C ATOM 438 CG1 VAL A 28 -3.179 -4.685 -10.314 1.00 22.53 C ATOM 439 CG2 VAL A 28 -3.598 -4.553 -12.780 1.00 32.23 C ATOM 0 H VAL A 28 -5.788 -5.992 -11.306 1.00 61.11 H new ATOM 0 HA VAL A 28 -5.653 -3.186 -10.404 1.00 22.32 H new ATOM 0 HB VAL A 28 -3.550 -2.909 -11.426 1.00 72.13 H new ATOM 0 HG11 VAL A 28 -2.107 -4.679 -10.513 1.00 22.53 H new ATOM 0 HG12 VAL A 28 -3.373 -4.197 -9.359 1.00 22.53 H new ATOM 0 HG13 VAL A 28 -3.535 -5.714 -10.275 1.00 22.53 H new ATOM 0 HG21 VAL A 28 -2.521 -4.550 -12.945 1.00 32.23 H new ATOM 0 HG22 VAL A 28 -3.967 -5.578 -12.807 1.00 32.23 H new ATOM 0 HG23 VAL A 28 -4.087 -3.971 -13.561 1.00 32.23 H new ATOM 449 N HIS A 29 -6.253 -2.273 -12.727 1.00 21.43 N ATOM 450 CA HIS A 29 -6.920 -1.795 -13.932 1.00 42.15 C ATOM 451 C HIS A 29 -6.306 -0.482 -14.408 1.00 43.22 C ATOM 452 O HIS A 29 -5.643 0.219 -13.643 1.00 31.12 O ATOM 453 CB HIS A 29 -8.415 -1.608 -13.674 1.00 10.04 C ATOM 454 CG HIS A 29 -9.254 -2.752 -14.154 1.00 43.14 C ATOM 455 ND1 HIS A 29 -10.050 -2.681 -15.278 1.00 62.31 N ATOM 456 CD2 HIS A 29 -9.416 -4.001 -13.658 1.00 12.40 C ATOM 457 CE1 HIS A 29 -10.667 -3.836 -15.451 1.00 60.41 C ATOM 458 NE2 HIS A 29 -10.299 -4.655 -14.482 1.00 13.45 N ATOM 0 H HIS A 29 -5.886 -1.534 -12.127 1.00 21.43 H new ATOM 0 HA HIS A 29 -6.785 -2.544 -14.713 1.00 42.15 H new ATOM 0 HB2 HIS A 29 -8.577 -1.474 -12.604 1.00 10.04 H new ATOM 0 HB3 HIS A 29 -8.748 -0.693 -14.164 1.00 10.04 H new ATOM 0 HD2 HIS A 29 -8.940 -4.408 -12.778 1.00 12.40 H new ATOM 0 HE1 HIS A 29 -11.356 -4.071 -16.249 1.00 60.41 H new ATOM 0 HE2 HIS A 29 -10.619 -5.617 -14.365 1.00 13.45 H new ATOM 466 N PHE A 30 -6.530 -0.155 -15.677 1.00 2.34 N ATOM 467 CA PHE A 30 -5.997 1.073 -16.255 1.00 51.40 C ATOM 468 C PHE A 30 -6.498 2.296 -15.492 1.00 12.02 C ATOM 469 O PHE A 30 -5.912 3.376 -15.572 1.00 0.23 O ATOM 470 CB PHE A 30 -6.392 1.181 -17.729 1.00 52.23 C ATOM 471 CG PHE A 30 -7.822 1.593 -17.938 1.00 64.42 C ATOM 472 CD1 PHE A 30 -8.856 0.707 -17.682 1.00 1.24 C ATOM 473 CD2 PHE A 30 -8.131 2.865 -18.392 1.00 22.12 C ATOM 474 CE1 PHE A 30 -10.172 1.083 -17.872 1.00 74.34 C ATOM 475 CE2 PHE A 30 -9.445 3.246 -18.584 1.00 53.10 C ATOM 476 CZ PHE A 30 -10.467 2.354 -18.325 1.00 72.43 C ATOM 0 H PHE A 30 -7.077 -0.723 -16.324 1.00 2.34 H new ATOM 0 HA PHE A 30 -4.910 1.039 -16.178 1.00 51.40 H new ATOM 0 HB2 PHE A 30 -5.739 1.902 -18.220 1.00 52.23 H new ATOM 0 HB3 PHE A 30 -6.225 0.219 -18.213 1.00 52.23 H new ATOM 0 HD1 PHE A 30 -8.631 -0.289 -17.330 1.00 1.24 H new ATOM 0 HD2 PHE A 30 -7.336 3.566 -18.598 1.00 22.12 H new ATOM 0 HE1 PHE A 30 -10.969 0.384 -17.667 1.00 74.34 H new ATOM 0 HE2 PHE A 30 -9.673 4.241 -18.937 1.00 53.10 H new ATOM 0 HZ PHE A 30 -11.495 2.650 -18.476 1.00 72.43 H new ATOM 486 N THR A 31 -7.588 2.118 -14.751 1.00 40.43 N ATOM 487 CA THR A 31 -8.170 3.206 -13.975 1.00 31.31 C ATOM 488 C THR A 31 -7.498 3.329 -12.612 1.00 53.32 C ATOM 489 O THR A 31 -7.909 4.136 -11.778 1.00 61.51 O ATOM 490 CB THR A 31 -9.684 3.004 -13.772 1.00 64.41 C ATOM 491 OG1 THR A 31 -9.980 1.608 -13.656 1.00 72.42 O ATOM 492 CG2 THR A 31 -10.469 3.600 -14.930 1.00 72.34 C ATOM 0 H THR A 31 -8.085 1.231 -14.672 1.00 40.43 H new ATOM 0 HA THR A 31 -8.006 4.122 -14.542 1.00 31.31 H new ATOM 0 HB THR A 31 -9.977 3.514 -12.855 1.00 64.41 H new ATOM 0 HG1 THR A 31 -10.944 1.488 -13.525 1.00 72.42 H new ATOM 0 HG21 THR A 31 -11.535 3.445 -14.765 1.00 72.34 H new ATOM 0 HG22 THR A 31 -10.263 4.668 -14.997 1.00 72.34 H new ATOM 0 HG23 THR A 31 -10.172 3.114 -15.859 1.00 72.34 H new ATOM 500 N ALA A 32 -6.463 2.525 -12.393 1.00 41.50 N ATOM 501 CA ALA A 32 -5.732 2.547 -11.132 1.00 14.32 C ATOM 502 C ALA A 32 -4.250 2.825 -11.360 1.00 75.14 C ATOM 503 O ALA A 32 -3.593 3.456 -10.532 1.00 62.34 O ATOM 504 CB ALA A 32 -5.917 1.230 -10.392 1.00 42.43 C ATOM 0 H ALA A 32 -6.112 1.850 -13.072 1.00 41.50 H new ATOM 0 HA ALA A 32 -6.135 3.354 -10.521 1.00 14.32 H new ATOM 0 HB1 ALA A 32 -5.366 1.260 -9.452 1.00 42.43 H new ATOM 0 HB2 ALA A 32 -6.976 1.074 -10.187 1.00 42.43 H new ATOM 0 HB3 ALA A 32 -5.542 0.412 -11.006 1.00 42.43 H new ATOM 510 N ILE A 33 -3.731 2.349 -12.487 1.00 53.53 N ATOM 511 CA ILE A 33 -2.327 2.547 -12.824 1.00 0.41 C ATOM 512 C ILE A 33 -1.937 4.017 -12.713 1.00 1.43 C ATOM 513 O ILE A 33 -2.638 4.895 -13.215 1.00 60.11 O ATOM 514 CB ILE A 33 -2.014 2.051 -14.248 1.00 0.11 C ATOM 515 CG1 ILE A 33 -2.151 0.529 -14.323 1.00 10.04 C ATOM 516 CG2 ILE A 33 -0.616 2.484 -14.664 1.00 70.42 C ATOM 517 CD1 ILE A 33 -2.617 0.030 -15.672 1.00 70.13 C ATOM 0 H ILE A 33 -4.262 1.824 -13.182 1.00 53.53 H new ATOM 0 HA ILE A 33 -1.746 1.964 -12.109 1.00 0.41 H new ATOM 0 HB ILE A 33 -2.731 2.496 -14.938 1.00 0.11 H new ATOM 0 HG12 ILE A 33 -1.189 0.074 -14.089 1.00 10.04 H new ATOM 0 HG13 ILE A 33 -2.855 0.198 -13.559 1.00 10.04 H new ATOM 0 HG21 ILE A 33 -0.409 2.126 -15.673 1.00 70.42 H new ATOM 0 HG22 ILE A 33 -0.551 3.572 -14.645 1.00 70.42 H new ATOM 0 HG23 ILE A 33 0.115 2.065 -13.973 1.00 70.42 H new ATOM 0 HD11 ILE A 33 -2.691 -1.057 -15.652 1.00 70.13 H new ATOM 0 HD12 ILE A 33 -3.594 0.456 -15.900 1.00 70.13 H new ATOM 0 HD13 ILE A 33 -1.902 0.331 -16.438 1.00 70.13 H new ATOM 529 N GLU A 34 -0.813 4.277 -12.053 1.00 3.45 N ATOM 530 CA GLU A 34 -0.329 5.642 -11.877 1.00 30.23 C ATOM 531 C GLU A 34 0.957 5.869 -12.666 1.00 52.24 C ATOM 532 O GLU A 34 2.057 5.686 -12.147 1.00 3.52 O ATOM 533 CB GLU A 34 -0.089 5.934 -10.394 1.00 44.32 C ATOM 534 CG GLU A 34 -1.352 5.887 -9.552 1.00 31.43 C ATOM 535 CD GLU A 34 -2.060 7.226 -9.485 1.00 3.10 C ATOM 536 OE1 GLU A 34 -1.466 8.184 -8.947 1.00 64.00 O ATOM 537 OE2 GLU A 34 -3.207 7.317 -9.970 1.00 63.40 O ATOM 0 H GLU A 34 -0.221 3.561 -11.632 1.00 3.45 H new ATOM 0 HA GLU A 34 -1.092 6.323 -12.255 1.00 30.23 H new ATOM 0 HB2 GLU A 34 0.626 5.211 -10.001 1.00 44.32 H new ATOM 0 HB3 GLU A 34 0.367 6.919 -10.296 1.00 44.32 H new ATOM 0 HG2 GLU A 34 -2.032 5.141 -9.965 1.00 31.43 H new ATOM 0 HG3 GLU A 34 -1.099 5.563 -8.542 1.00 31.43 H new ATOM 631 N LEU A 41 1.734 -2.547 -18.918 1.00 31.51 N ATOM 632 CA LEU A 41 2.828 -3.255 -18.262 1.00 0.13 C ATOM 633 C LEU A 41 3.279 -4.451 -19.093 1.00 63.24 C ATOM 634 O LEU A 41 2.688 -4.759 -20.127 1.00 71.41 O ATOM 635 CB LEU A 41 2.398 -3.720 -16.869 1.00 63.23 C ATOM 636 CG LEU A 41 2.130 -2.616 -15.846 1.00 32.41 C ATOM 637 CD1 LEU A 41 3.264 -1.604 -15.843 1.00 43.41 C ATOM 638 CD2 LEU A 41 0.802 -1.932 -16.136 1.00 0.23 C ATOM 0 HA LEU A 41 3.667 -2.566 -18.166 1.00 0.13 H new ATOM 0 HB2 LEU A 41 1.494 -4.320 -16.971 1.00 63.23 H new ATOM 0 HB3 LEU A 41 3.173 -4.376 -16.472 1.00 63.23 H new ATOM 0 HG LEU A 41 2.074 -3.070 -14.856 1.00 32.41 H new ATOM 0 HD11 LEU A 41 3.055 -0.826 -15.109 1.00 43.41 H new ATOM 0 HD12 LEU A 41 4.198 -2.104 -15.586 1.00 43.41 H new ATOM 0 HD13 LEU A 41 3.353 -1.155 -16.832 1.00 43.41 H new ATOM 0 HD21 LEU A 41 0.627 -1.149 -15.398 1.00 0.23 H new ATOM 0 HD22 LEU A 41 0.830 -1.492 -17.133 1.00 0.23 H new ATOM 0 HD23 LEU A 41 -0.003 -2.665 -16.085 1.00 0.23 H new ATOM 650 N ASN A 42 4.330 -5.123 -18.633 1.00 51.32 N ATOM 651 CA ASN A 42 4.860 -6.287 -19.334 1.00 13.10 C ATOM 652 C ASN A 42 5.035 -7.464 -18.379 1.00 14.31 C ATOM 653 O ASN A 42 5.651 -7.331 -17.322 1.00 64.34 O ATOM 654 CB ASN A 42 6.198 -5.946 -19.992 1.00 63.42 C ATOM 655 CG ASN A 42 6.190 -4.578 -20.646 1.00 74.21 C ATOM 656 OD1 ASN A 42 6.940 -3.685 -20.252 1.00 53.04 O ATOM 657 ND2 ASN A 42 5.338 -4.408 -21.651 1.00 33.15 N ATOM 0 H ASN A 42 4.831 -4.881 -17.778 1.00 51.32 H new ATOM 0 HA ASN A 42 4.145 -6.572 -20.106 1.00 13.10 H new ATOM 0 HB2 ASN A 42 6.988 -5.982 -19.242 1.00 63.42 H new ATOM 0 HB3 ASN A 42 6.434 -6.702 -20.741 1.00 63.42 H new ATOM 0 HD21 ASN A 42 5.287 -3.509 -22.130 1.00 33.15 H new ATOM 0 HD22 ASN A 42 4.735 -5.177 -21.944 1.00 33.15 H new ATOM 664 N GLU A 43 4.488 -8.614 -18.759 1.00 73.14 N ATOM 665 CA GLU A 43 4.584 -9.814 -17.936 1.00 54.12 C ATOM 666 C GLU A 43 6.034 -10.097 -17.555 1.00 34.54 C ATOM 667 O GLU A 43 6.928 -10.057 -18.398 1.00 43.41 O ATOM 668 CB GLU A 43 3.995 -11.016 -18.678 1.00 23.25 C ATOM 669 CG GLU A 43 4.109 -12.321 -17.908 1.00 30.25 C ATOM 670 CD GLU A 43 3.847 -13.536 -18.776 1.00 43.05 C ATOM 671 OE1 GLU A 43 3.299 -13.364 -19.885 1.00 74.43 O ATOM 672 OE2 GLU A 43 4.191 -14.658 -18.348 1.00 54.53 O ATOM 0 H GLU A 43 3.974 -8.740 -19.631 1.00 73.14 H new ATOM 0 HA GLU A 43 4.013 -9.645 -17.023 1.00 54.12 H new ATOM 0 HB2 GLU A 43 2.944 -10.821 -18.892 1.00 23.25 H new ATOM 0 HB3 GLU A 43 4.501 -11.124 -19.637 1.00 23.25 H new ATOM 0 HG2 GLU A 43 5.106 -12.397 -17.475 1.00 30.25 H new ATOM 0 HG3 GLU A 43 3.401 -12.312 -17.079 1.00 30.25 H new ATOM 679 N GLY A 44 6.258 -10.385 -16.276 1.00 12.22 N ATOM 680 CA GLY A 44 7.600 -10.670 -15.804 1.00 21.21 C ATOM 681 C GLY A 44 8.293 -9.441 -15.249 1.00 61.51 C ATOM 682 O GLY A 44 9.332 -9.548 -14.598 1.00 70.45 O ATOM 0 H GLY A 44 5.534 -10.426 -15.559 1.00 12.22 H new ATOM 0 HA2 GLY A 44 7.555 -11.438 -15.031 1.00 21.21 H new ATOM 0 HA3 GLY A 44 8.191 -11.077 -16.624 1.00 21.21 H new ATOM 686 N GLU A 45 7.718 -8.272 -15.508 1.00 55.53 N ATOM 687 CA GLU A 45 8.289 -7.018 -15.032 1.00 1.53 C ATOM 688 C GLU A 45 7.805 -6.701 -13.620 1.00 22.05 C ATOM 689 O GLU A 45 6.784 -7.221 -13.170 1.00 34.40 O ATOM 690 CB GLU A 45 7.922 -5.872 -15.977 1.00 52.02 C ATOM 691 CG GLU A 45 8.674 -4.583 -15.693 1.00 10.25 C ATOM 692 CD GLU A 45 9.082 -3.854 -16.958 1.00 3.00 C ATOM 693 OE1 GLU A 45 9.756 -4.472 -17.809 1.00 35.35 O ATOM 694 OE2 GLU A 45 8.728 -2.665 -17.097 1.00 52.54 O ATOM 0 H GLU A 45 6.857 -8.167 -16.045 1.00 55.53 H new ATOM 0 HA GLU A 45 9.373 -7.128 -15.010 1.00 1.53 H new ATOM 0 HB2 GLU A 45 8.122 -6.181 -17.003 1.00 52.02 H new ATOM 0 HB3 GLU A 45 6.851 -5.681 -15.904 1.00 52.02 H new ATOM 0 HG2 GLU A 45 8.048 -3.928 -15.087 1.00 10.25 H new ATOM 0 HG3 GLU A 45 9.564 -4.808 -15.105 1.00 10.25 H new ATOM 701 N HIS A 46 8.547 -5.845 -12.924 1.00 52.42 N ATOM 702 CA HIS A 46 8.194 -5.458 -11.563 1.00 2.03 C ATOM 703 C HIS A 46 7.343 -4.192 -11.561 1.00 2.34 C ATOM 704 O HIS A 46 7.596 -3.260 -12.325 1.00 21.13 O ATOM 705 CB HIS A 46 9.457 -5.239 -10.729 1.00 30.21 C ATOM 706 CG HIS A 46 10.631 -6.041 -11.199 1.00 5.02 C ATOM 707 ND1 HIS A 46 10.905 -7.313 -10.743 1.00 21.21 N ATOM 708 CD2 HIS A 46 11.605 -5.745 -12.091 1.00 63.22 C ATOM 709 CE1 HIS A 46 11.997 -7.765 -11.333 1.00 43.32 C ATOM 710 NE2 HIS A 46 12.442 -6.832 -12.157 1.00 34.44 N ATOM 0 H HIS A 46 9.396 -5.406 -13.280 1.00 52.42 H new ATOM 0 HA HIS A 46 7.611 -6.266 -11.121 1.00 2.03 H new ATOM 0 HB2 HIS A 46 9.718 -4.181 -10.751 1.00 30.21 H new ATOM 0 HB3 HIS A 46 9.246 -5.494 -9.691 1.00 30.21 H new ATOM 0 HD2 HIS A 46 11.705 -4.825 -12.648 1.00 63.22 H new ATOM 0 HE1 HIS A 46 12.449 -8.732 -11.170 1.00 43.32 H new ATOM 0 HE2 HIS A 46 13.272 -6.907 -12.746 1.00 34.44 H new ATOM 718 N VAL A 47 6.333 -4.165 -10.697 1.00 53.23 N ATOM 719 CA VAL A 47 5.445 -3.013 -10.596 1.00 35.14 C ATOM 720 C VAL A 47 4.786 -2.946 -9.222 1.00 62.41 C ATOM 721 O VAL A 47 4.415 -3.971 -8.651 1.00 24.11 O ATOM 722 CB VAL A 47 4.348 -3.053 -11.677 1.00 3.52 C ATOM 723 CG1 VAL A 47 4.967 -3.014 -13.066 1.00 74.10 C ATOM 724 CG2 VAL A 47 3.477 -4.287 -11.506 1.00 75.53 C ATOM 0 H VAL A 47 6.110 -4.927 -10.057 1.00 53.23 H new ATOM 0 HA VAL A 47 6.060 -2.126 -10.745 1.00 35.14 H new ATOM 0 HB VAL A 47 3.716 -2.173 -11.562 1.00 3.52 H new ATOM 0 HG11 VAL A 47 4.178 -3.043 -13.817 1.00 74.10 H new ATOM 0 HG12 VAL A 47 5.544 -2.097 -13.181 1.00 74.10 H new ATOM 0 HG13 VAL A 47 5.623 -3.874 -13.196 1.00 74.10 H new ATOM 0 HG21 VAL A 47 2.708 -4.299 -12.278 1.00 75.53 H new ATOM 0 HG22 VAL A 47 4.093 -5.182 -11.594 1.00 75.53 H new ATOM 0 HG23 VAL A 47 3.005 -4.266 -10.524 1.00 75.53 H new ATOM 734 N GLU A 48 4.644 -1.733 -8.698 1.00 41.23 N ATOM 735 CA GLU A 48 4.030 -1.533 -7.391 1.00 23.12 C ATOM 736 C GLU A 48 2.512 -1.436 -7.512 1.00 22.15 C ATOM 737 O GLU A 48 1.979 -1.180 -8.591 1.00 62.15 O ATOM 738 CB GLU A 48 4.582 -0.267 -6.732 1.00 23.45 C ATOM 739 CG GLU A 48 4.203 -0.129 -5.267 1.00 31.13 C ATOM 740 CD GLU A 48 4.985 0.962 -4.562 1.00 43.10 C ATOM 741 OE1 GLU A 48 5.098 2.070 -5.126 1.00 4.42 O ATOM 742 OE2 GLU A 48 5.484 0.707 -3.446 1.00 23.12 O ATOM 0 H GLU A 48 4.946 -0.874 -9.158 1.00 41.23 H new ATOM 0 HA GLU A 48 4.273 -2.394 -6.768 1.00 23.12 H new ATOM 0 HB2 GLU A 48 5.669 -0.266 -6.819 1.00 23.45 H new ATOM 0 HB3 GLU A 48 4.218 0.604 -7.276 1.00 23.45 H new ATOM 0 HG2 GLU A 48 3.137 0.086 -5.190 1.00 31.13 H new ATOM 0 HG3 GLU A 48 4.374 -1.079 -4.760 1.00 31.13 H new ATOM 749 N PHE A 49 1.821 -1.643 -6.395 1.00 63.13 N ATOM 750 CA PHE A 49 0.365 -1.581 -6.375 1.00 54.22 C ATOM 751 C PHE A 49 -0.153 -1.421 -4.949 1.00 34.12 C ATOM 752 O PHE A 49 0.268 -2.137 -4.041 1.00 62.02 O ATOM 753 CB PHE A 49 -0.230 -2.841 -7.007 1.00 63.15 C ATOM 754 CG PHE A 49 0.271 -4.115 -6.390 1.00 25.13 C ATOM 755 CD1 PHE A 49 1.497 -4.645 -6.761 1.00 32.13 C ATOM 756 CD2 PHE A 49 -0.482 -4.782 -5.438 1.00 33.42 C ATOM 757 CE1 PHE A 49 1.960 -5.818 -6.194 1.00 52.33 C ATOM 758 CE2 PHE A 49 -0.024 -5.955 -4.868 1.00 32.25 C ATOM 759 CZ PHE A 49 1.199 -6.473 -5.246 1.00 0.13 C ATOM 0 H PHE A 49 2.247 -1.855 -5.493 1.00 63.13 H new ATOM 0 HA PHE A 49 0.056 -0.712 -6.955 1.00 54.22 H new ATOM 0 HB2 PHE A 49 -1.316 -2.805 -6.916 1.00 63.15 H new ATOM 0 HB3 PHE A 49 0.001 -2.847 -8.072 1.00 63.15 H new ATOM 0 HD1 PHE A 49 2.097 -4.136 -7.501 1.00 32.13 H new ATOM 0 HD2 PHE A 49 -1.439 -4.381 -5.137 1.00 33.42 H new ATOM 0 HE1 PHE A 49 2.916 -6.222 -6.492 1.00 52.33 H new ATOM 0 HE2 PHE A 49 -0.622 -6.466 -4.128 1.00 32.25 H new ATOM 0 HZ PHE A 49 1.560 -7.389 -4.801 1.00 0.13 H new ATOM 769 N GLU A 50 -1.069 -0.476 -4.760 1.00 75.45 N ATOM 770 CA GLU A 50 -1.644 -0.222 -3.445 1.00 2.34 C ATOM 771 C GLU A 50 -3.000 -0.907 -3.301 1.00 1.51 C ATOM 772 O GLU A 50 -4.017 -0.402 -3.777 1.00 44.43 O ATOM 773 CB GLU A 50 -1.793 1.283 -3.211 1.00 42.22 C ATOM 774 CG GLU A 50 -0.574 1.923 -2.568 1.00 40.11 C ATOM 775 CD GLU A 50 -0.911 3.200 -1.822 1.00 65.33 C ATOM 776 OE1 GLU A 50 -1.773 3.149 -0.920 1.00 41.32 O ATOM 777 OE2 GLU A 50 -0.312 4.249 -2.140 1.00 74.44 O ATOM 0 H GLU A 50 -1.428 0.126 -5.501 1.00 75.45 H new ATOM 0 HA GLU A 50 -0.968 -0.634 -2.696 1.00 2.34 H new ATOM 0 HB2 GLU A 50 -1.989 1.773 -4.165 1.00 42.22 H new ATOM 0 HB3 GLU A 50 -2.662 1.459 -2.577 1.00 42.22 H new ATOM 0 HG2 GLU A 50 -0.117 1.213 -1.878 1.00 40.11 H new ATOM 0 HG3 GLU A 50 0.166 2.141 -3.338 1.00 40.11 H new ATOM 784 N VAL A 51 -3.007 -2.060 -2.641 1.00 64.51 N ATOM 785 CA VAL A 51 -4.237 -2.815 -2.434 1.00 24.44 C ATOM 786 C VAL A 51 -5.231 -2.025 -1.591 1.00 52.41 C ATOM 787 O VAL A 51 -4.903 -1.559 -0.500 1.00 61.34 O ATOM 788 CB VAL A 51 -3.957 -4.165 -1.746 1.00 75.24 C ATOM 789 CG1 VAL A 51 -2.944 -4.971 -2.544 1.00 61.32 C ATOM 790 CG2 VAL A 51 -3.474 -3.947 -0.321 1.00 10.13 C ATOM 0 H VAL A 51 -2.175 -2.492 -2.240 1.00 64.51 H new ATOM 0 HA VAL A 51 -4.666 -2.999 -3.419 1.00 24.44 H new ATOM 0 HB VAL A 51 -4.887 -4.732 -1.707 1.00 75.24 H new ATOM 0 HG11 VAL A 51 -2.759 -5.921 -2.043 1.00 61.32 H new ATOM 0 HG12 VAL A 51 -3.335 -5.158 -3.544 1.00 61.32 H new ATOM 0 HG13 VAL A 51 -2.011 -4.412 -2.618 1.00 61.32 H new ATOM 0 HG21 VAL A 51 -3.281 -4.911 0.149 1.00 10.13 H new ATOM 0 HG22 VAL A 51 -2.556 -3.360 -0.334 1.00 10.13 H new ATOM 0 HG23 VAL A 51 -4.238 -3.414 0.245 1.00 10.13 H new ATOM 800 N GLU A 52 -6.448 -1.877 -2.105 1.00 73.41 N ATOM 801 CA GLU A 52 -7.491 -1.142 -1.399 1.00 71.21 C ATOM 802 C GLU A 52 -8.643 -2.066 -1.014 1.00 24.42 C ATOM 803 O GLU A 52 -8.803 -3.159 -1.557 1.00 74.35 O ATOM 804 CB GLU A 52 -8.012 0.006 -2.266 1.00 13.13 C ATOM 805 CG GLU A 52 -7.256 1.309 -2.068 1.00 52.25 C ATOM 806 CD GLU A 52 -7.208 1.742 -0.616 1.00 31.41 C ATOM 807 OE1 GLU A 52 -6.260 1.340 0.091 1.00 61.11 O ATOM 808 OE2 GLU A 52 -8.118 2.481 -0.186 1.00 22.12 O ATOM 0 H GLU A 52 -6.736 -2.256 -3.007 1.00 73.41 H new ATOM 0 HA GLU A 52 -7.057 -0.732 -0.487 1.00 71.21 H new ATOM 0 HB2 GLU A 52 -7.950 -0.285 -3.315 1.00 13.13 H new ATOM 0 HB3 GLU A 52 -9.066 0.170 -2.042 1.00 13.13 H new ATOM 0 HG2 GLU A 52 -6.239 1.195 -2.443 1.00 52.25 H new ATOM 0 HG3 GLU A 52 -7.728 2.092 -2.661 1.00 52.25 H new ATOM 815 N PRO A 53 -9.464 -1.619 -0.052 1.00 43.33 N ATOM 816 CA PRO A 53 -10.615 -2.389 0.428 1.00 24.20 C ATOM 817 C PRO A 53 -11.725 -2.482 -0.613 1.00 20.31 C ATOM 818 O PRO A 53 -11.743 -3.397 -1.435 1.00 40.15 O ATOM 819 CB PRO A 53 -11.090 -1.595 1.647 1.00 4.40 C ATOM 820 CG PRO A 53 -10.626 -0.201 1.395 1.00 32.31 C ATOM 821 CD PRO A 53 -9.332 -0.326 0.640 1.00 40.42 C ATOM 0 HA PRO A 53 -10.349 -3.422 0.653 1.00 24.20 H new ATOM 0 HB2 PRO A 53 -12.174 -1.639 1.750 1.00 4.40 H new ATOM 0 HB3 PRO A 53 -10.666 -1.993 2.569 1.00 4.40 H new ATOM 0 HG2 PRO A 53 -11.363 0.357 0.817 1.00 32.31 H new ATOM 0 HG3 PRO A 53 -10.481 0.337 2.332 1.00 32.31 H new ATOM 0 HD2 PRO A 53 -9.197 0.495 -0.064 1.00 40.42 H new ATOM 0 HD3 PRO A 53 -8.473 -0.315 1.311 1.00 40.42 H new ATOM 829 N GLY A 54 -12.651 -1.529 -0.571 1.00 44.54 N ATOM 830 CA GLY A 54 -13.752 -1.522 -1.517 1.00 4.33 C ATOM 831 C GLY A 54 -13.368 -0.908 -2.849 1.00 15.24 C ATOM 832 O GLY A 54 -13.919 0.118 -3.248 1.00 54.12 O ATOM 0 H GLY A 54 -12.659 -0.762 0.101 1.00 44.54 H new ATOM 0 HA2 GLY A 54 -14.096 -2.544 -1.677 1.00 4.33 H new ATOM 0 HA3 GLY A 54 -14.588 -0.967 -1.092 1.00 4.33 H new ATOM 836 N ARG A 55 -12.421 -1.535 -3.537 1.00 25.41 N ATOM 837 CA ARG A 55 -11.962 -1.043 -4.830 1.00 51.31 C ATOM 838 C ARG A 55 -11.946 -2.164 -5.865 1.00 20.24 C ATOM 839 O ARG A 55 -12.334 -1.967 -7.015 1.00 41.13 O ATOM 840 CB ARG A 55 -10.565 -0.433 -4.701 1.00 50.15 C ATOM 841 CG ARG A 55 -10.555 0.930 -4.029 1.00 40.20 C ATOM 842 CD ARG A 55 -11.384 1.941 -4.806 1.00 62.12 C ATOM 843 NE ARG A 55 -12.581 2.345 -4.074 1.00 53.15 N ATOM 844 CZ ARG A 55 -13.490 3.184 -4.559 1.00 12.13 C ATOM 845 NH1 ARG A 55 -13.339 3.705 -5.769 1.00 22.34 N ATOM 846 NH2 ARG A 55 -14.554 3.504 -3.832 1.00 64.32 N ATOM 0 H ARG A 55 -11.956 -2.386 -3.221 1.00 25.41 H new ATOM 0 HA ARG A 55 -12.658 -0.273 -5.165 1.00 51.31 H new ATOM 0 HB2 ARG A 55 -9.932 -1.114 -4.132 1.00 50.15 H new ATOM 0 HB3 ARG A 55 -10.124 -0.342 -5.694 1.00 50.15 H new ATOM 0 HG2 ARG A 55 -10.946 0.840 -3.015 1.00 40.20 H new ATOM 0 HG3 ARG A 55 -9.529 1.288 -3.944 1.00 40.20 H new ATOM 0 HD2 ARG A 55 -10.776 2.820 -5.020 1.00 62.12 H new ATOM 0 HD3 ARG A 55 -11.673 1.512 -5.765 1.00 62.12 H new ATOM 0 HE ARG A 55 -12.727 1.962 -3.140 1.00 53.15 H new ATOM 0 HH11 ARG A 55 -12.523 3.462 -6.331 1.00 22.34 H new ATOM 0 HH12 ARG A 55 -14.039 4.349 -6.138 1.00 22.34 H new ATOM 0 HH21 ARG A 55 -14.674 3.106 -2.901 1.00 64.32 H new ATOM 0 HH22 ARG A 55 -15.251 4.148 -4.205 1.00 64.32 H new ATOM 860 N GLY A 56 -11.493 -3.342 -5.446 1.00 35.41 N ATOM 861 CA GLY A 56 -11.434 -4.478 -6.348 1.00 54.41 C ATOM 862 C GLY A 56 -12.516 -5.501 -6.064 1.00 54.53 C ATOM 863 O GLY A 56 -12.924 -5.681 -4.918 1.00 32.42 O ATOM 0 H GLY A 56 -11.166 -3.530 -4.498 1.00 35.41 H new ATOM 0 HA2 GLY A 56 -11.531 -4.127 -7.376 1.00 54.41 H new ATOM 0 HA3 GLY A 56 -10.457 -4.954 -6.264 1.00 54.41 H new ATOM 867 N GLY A 57 -12.984 -6.171 -7.113 1.00 35.22 N ATOM 868 CA GLY A 57 -14.023 -7.172 -6.950 1.00 10.31 C ATOM 869 C GLY A 57 -13.712 -8.154 -5.838 1.00 74.23 C ATOM 870 O GLY A 57 -14.537 -8.383 -4.953 1.00 22.01 O ATOM 0 H GLY A 57 -12.663 -6.039 -8.072 1.00 35.22 H new ATOM 0 HA2 GLY A 57 -14.971 -6.677 -6.739 1.00 10.31 H new ATOM 0 HA3 GLY A 57 -14.149 -7.716 -7.886 1.00 10.31 H new ATOM 874 N LYS A 58 -12.520 -8.739 -5.884 1.00 11.24 N ATOM 875 CA LYS A 58 -12.101 -9.703 -4.873 1.00 73.13 C ATOM 876 C LYS A 58 -11.751 -9.002 -3.564 1.00 71.44 C ATOM 877 O LYS A 58 -11.639 -9.640 -2.518 1.00 72.03 O ATOM 878 CB LYS A 58 -10.898 -10.506 -5.372 1.00 44.54 C ATOM 879 CG LYS A 58 -11.264 -11.604 -6.355 1.00 32.31 C ATOM 880 CD LYS A 58 -10.927 -11.210 -7.783 1.00 72.52 C ATOM 881 CE LYS A 58 -9.450 -11.413 -8.084 1.00 20.54 C ATOM 882 NZ LYS A 58 -9.048 -12.841 -7.950 1.00 22.04 N ATOM 0 H LYS A 58 -11.827 -8.562 -6.611 1.00 11.24 H new ATOM 0 HA LYS A 58 -12.933 -10.383 -4.689 1.00 73.13 H new ATOM 0 HB2 LYS A 58 -10.190 -9.826 -5.847 1.00 44.54 H new ATOM 0 HB3 LYS A 58 -10.389 -10.951 -4.517 1.00 44.54 H new ATOM 0 HG2 LYS A 58 -10.732 -12.519 -6.094 1.00 32.31 H new ATOM 0 HG3 LYS A 58 -12.329 -11.822 -6.279 1.00 32.31 H new ATOM 0 HD2 LYS A 58 -11.525 -11.802 -8.476 1.00 72.52 H new ATOM 0 HD3 LYS A 58 -11.192 -10.165 -7.945 1.00 72.52 H new ATOM 0 HE2 LYS A 58 -9.235 -11.068 -9.095 1.00 20.54 H new ATOM 0 HE3 LYS A 58 -8.854 -10.803 -7.406 1.00 20.54 H new ATOM 0 HZ1 LYS A 58 -8.201 -13.019 -8.527 1.00 22.04 H new ATOM 0 HZ2 LYS A 58 -8.839 -13.051 -6.953 1.00 22.04 H new ATOM 0 HZ3 LYS A 58 -9.824 -13.452 -8.277 1.00 22.04 H new ATOM 896 N GLY A 59 -11.581 -7.685 -3.630 1.00 65.35 N ATOM 897 CA GLY A 59 -11.246 -6.920 -2.444 1.00 33.25 C ATOM 898 C GLY A 59 -10.021 -6.050 -2.641 1.00 23.24 C ATOM 899 O GLY A 59 -10.118 -4.839 -2.841 1.00 33.31 O ATOM 0 H GLY A 59 -11.669 -7.134 -4.484 1.00 65.35 H new ATOM 0 HA2 GLY A 59 -12.093 -6.292 -2.170 1.00 33.25 H new ATOM 0 HA3 GLY A 59 -11.073 -7.603 -1.612 1.00 33.25 H new ATOM 903 N PRO A 60 -8.834 -6.672 -2.583 1.00 5.32 N ATOM 904 CA PRO A 60 -7.561 -5.965 -2.753 1.00 3.41 C ATOM 905 C PRO A 60 -7.351 -5.486 -4.185 1.00 45.22 C ATOM 906 O PRO A 60 -7.191 -6.292 -5.101 1.00 25.10 O ATOM 907 CB PRO A 60 -6.516 -7.021 -2.383 1.00 51.24 C ATOM 908 CG PRO A 60 -7.185 -8.325 -2.651 1.00 1.22 C ATOM 909 CD PRO A 60 -8.642 -8.113 -2.347 1.00 53.34 C ATOM 0 HA PRO A 60 -7.511 -5.064 -2.142 1.00 3.41 H new ATOM 0 HB2 PRO A 60 -5.612 -6.910 -2.981 1.00 51.24 H new ATOM 0 HB3 PRO A 60 -6.219 -6.935 -1.338 1.00 51.24 H new ATOM 0 HG2 PRO A 60 -7.043 -8.631 -3.688 1.00 1.22 H new ATOM 0 HG3 PRO A 60 -6.767 -9.114 -2.026 1.00 1.22 H new ATOM 0 HD2 PRO A 60 -9.279 -8.715 -2.995 1.00 53.34 H new ATOM 0 HD3 PRO A 60 -8.882 -8.387 -1.320 1.00 53.34 H new ATOM 917 N GLN A 61 -7.352 -4.170 -4.371 1.00 2.45 N ATOM 918 CA GLN A 61 -7.161 -3.585 -5.692 1.00 52.45 C ATOM 919 C GLN A 61 -5.894 -2.737 -5.735 1.00 51.01 C ATOM 920 O GLN A 61 -5.439 -2.232 -4.710 1.00 2.15 O ATOM 921 CB GLN A 61 -8.372 -2.732 -6.076 1.00 33.44 C ATOM 922 CG GLN A 61 -8.158 -1.900 -7.330 1.00 34.24 C ATOM 923 CD GLN A 61 -9.460 -1.527 -8.011 1.00 40.42 C ATOM 924 OE1 GLN A 61 -10.212 -2.394 -8.456 1.00 53.13 O ATOM 925 NE2 GLN A 61 -9.733 -0.230 -8.096 1.00 40.14 N ATOM 0 H GLN A 61 -7.483 -3.489 -3.623 1.00 2.45 H new ATOM 0 HA GLN A 61 -7.056 -4.399 -6.409 1.00 52.45 H new ATOM 0 HB2 GLN A 61 -9.232 -3.384 -6.225 1.00 33.44 H new ATOM 0 HB3 GLN A 61 -8.616 -2.068 -5.247 1.00 33.44 H new ATOM 0 HG2 GLN A 61 -7.615 -0.991 -7.070 1.00 34.24 H new ATOM 0 HG3 GLN A 61 -7.533 -2.456 -8.029 1.00 34.24 H new ATOM 0 HE21 GLN A 61 -9.081 0.455 -7.713 1.00 40.14 H new ATOM 0 HE22 GLN A 61 -10.595 0.081 -8.544 1.00 40.14 H new ATOM 934 N ALA A 62 -5.329 -2.586 -6.929 1.00 11.15 N ATOM 935 CA ALA A 62 -4.115 -1.798 -7.105 1.00 35.11 C ATOM 936 C ALA A 62 -4.439 -0.314 -7.243 1.00 32.41 C ATOM 937 O ALA A 62 -4.142 0.304 -8.265 1.00 51.40 O ATOM 938 CB ALA A 62 -3.341 -2.287 -8.320 1.00 52.42 C ATOM 0 H ALA A 62 -5.692 -2.999 -7.788 1.00 11.15 H new ATOM 0 HA ALA A 62 -3.495 -1.926 -6.217 1.00 35.11 H new ATOM 0 HB1 ALA A 62 -2.437 -1.690 -8.440 1.00 52.42 H new ATOM 0 HB2 ALA A 62 -3.069 -3.333 -8.181 1.00 52.42 H new ATOM 0 HB3 ALA A 62 -3.962 -2.188 -9.211 1.00 52.42 H new ATOM 944 N LYS A 63 -5.051 0.252 -6.208 1.00 22.31 N ATOM 945 CA LYS A 63 -5.415 1.663 -6.212 1.00 51.55 C ATOM 946 C LYS A 63 -4.265 2.521 -6.731 1.00 61.54 C ATOM 947 O LYS A 63 -4.470 3.437 -7.527 1.00 41.33 O ATOM 948 CB LYS A 63 -5.806 2.115 -4.803 1.00 72.15 C ATOM 949 CG LYS A 63 -6.157 3.590 -4.713 1.00 2.02 C ATOM 950 CD LYS A 63 -7.102 4.008 -5.827 1.00 1.03 C ATOM 951 CE LYS A 63 -8.364 3.159 -5.835 1.00 63.21 C ATOM 952 NZ LYS A 63 -9.324 3.602 -6.884 1.00 3.02 N ATOM 0 H LYS A 63 -5.305 -0.246 -5.355 1.00 22.31 H new ATOM 0 HA LYS A 63 -6.269 1.789 -6.878 1.00 51.55 H new ATOM 0 HB2 LYS A 63 -6.659 1.526 -4.465 1.00 72.15 H new ATOM 0 HB3 LYS A 63 -4.982 1.904 -4.121 1.00 72.15 H new ATOM 0 HG2 LYS A 63 -6.618 3.797 -3.747 1.00 2.02 H new ATOM 0 HG3 LYS A 63 -5.246 4.186 -4.765 1.00 2.02 H new ATOM 0 HD2 LYS A 63 -7.369 5.058 -5.704 1.00 1.03 H new ATOM 0 HD3 LYS A 63 -6.596 3.918 -6.788 1.00 1.03 H new ATOM 0 HE2 LYS A 63 -8.098 2.115 -6.003 1.00 63.21 H new ATOM 0 HE3 LYS A 63 -8.844 3.212 -4.858 1.00 63.21 H new ATOM 0 HZ1 LYS A 63 -10.080 2.894 -6.984 1.00 3.02 H new ATOM 0 HZ2 LYS A 63 -9.739 4.516 -6.611 1.00 3.02 H new ATOM 0 HZ3 LYS A 63 -8.824 3.706 -7.790 1.00 3.02 H new ATOM 966 N LYS A 64 -3.054 2.216 -6.277 1.00 32.31 N ATOM 967 CA LYS A 64 -1.870 2.956 -6.697 1.00 31.32 C ATOM 968 C LYS A 64 -0.813 2.014 -7.264 1.00 62.12 C ATOM 969 O LYS A 64 -0.072 1.374 -6.518 1.00 33.25 O ATOM 970 CB LYS A 64 -1.290 3.741 -5.518 1.00 65.24 C ATOM 971 CG LYS A 64 -2.337 4.481 -4.706 1.00 13.43 C ATOM 972 CD LYS A 64 -2.377 5.958 -5.060 1.00 45.50 C ATOM 973 CE LYS A 64 -2.946 6.183 -6.452 1.00 75.33 C ATOM 974 NZ LYS A 64 -4.140 7.073 -6.426 1.00 72.42 N ATOM 0 H LYS A 64 -2.867 1.461 -5.618 1.00 32.31 H new ATOM 0 HA LYS A 64 -2.166 3.654 -7.480 1.00 31.32 H new ATOM 0 HB2 LYS A 64 -0.754 3.054 -4.864 1.00 65.24 H new ATOM 0 HB3 LYS A 64 -0.560 4.458 -5.894 1.00 65.24 H new ATOM 0 HG2 LYS A 64 -3.317 4.037 -4.883 1.00 13.43 H new ATOM 0 HG3 LYS A 64 -2.122 4.366 -3.643 1.00 13.43 H new ATOM 0 HD2 LYS A 64 -2.982 6.492 -4.328 1.00 45.50 H new ATOM 0 HD3 LYS A 64 -1.371 6.373 -5.006 1.00 45.50 H new ATOM 0 HE2 LYS A 64 -2.180 6.622 -7.091 1.00 75.33 H new ATOM 0 HE3 LYS A 64 -3.218 5.224 -6.893 1.00 75.33 H new ATOM 0 HZ1 LYS A 64 -4.498 7.202 -7.394 1.00 72.42 H new ATOM 0 HZ2 LYS A 64 -4.881 6.643 -5.837 1.00 72.42 H new ATOM 0 HZ3 LYS A 64 -3.876 7.997 -6.029 1.00 72.42 H new ATOM 988 N VAL A 65 -0.747 1.935 -8.589 1.00 42.15 N ATOM 989 CA VAL A 65 0.222 1.074 -9.257 1.00 31.42 C ATOM 990 C VAL A 65 1.380 1.886 -9.824 1.00 65.14 C ATOM 991 O VAL A 65 1.192 3.004 -10.303 1.00 10.40 O ATOM 992 CB VAL A 65 -0.433 0.269 -10.395 1.00 51.34 C ATOM 993 CG1 VAL A 65 0.318 0.483 -11.701 1.00 33.01 C ATOM 994 CG2 VAL A 65 -0.490 -1.209 -10.039 1.00 44.40 C ATOM 0 H VAL A 65 -1.353 2.457 -9.222 1.00 42.15 H new ATOM 0 HA VAL A 65 0.602 0.382 -8.505 1.00 31.42 H new ATOM 0 HB VAL A 65 -1.454 0.626 -10.528 1.00 51.34 H new ATOM 0 HG11 VAL A 65 -0.159 -0.093 -12.494 1.00 33.01 H new ATOM 0 HG12 VAL A 65 0.301 1.541 -11.961 1.00 33.01 H new ATOM 0 HG13 VAL A 65 1.351 0.155 -11.585 1.00 33.01 H new ATOM 0 HG21 VAL A 65 -0.956 -1.762 -10.855 1.00 44.40 H new ATOM 0 HG22 VAL A 65 0.521 -1.584 -9.877 1.00 44.40 H new ATOM 0 HG23 VAL A 65 -1.076 -1.342 -9.129 1.00 44.40 H new ATOM 1004 N ARG A 66 2.579 1.315 -9.768 1.00 4.30 N ATOM 1005 CA ARG A 66 3.770 1.987 -10.276 1.00 33.21 C ATOM 1006 C ARG A 66 4.588 1.049 -11.158 1.00 63.31 C ATOM 1007 O ARG A 66 4.529 -0.172 -11.006 1.00 5.51 O ATOM 1008 CB ARG A 66 4.629 2.493 -9.116 1.00 44.54 C ATOM 1009 CG ARG A 66 3.839 3.236 -8.051 1.00 60.23 C ATOM 1010 CD ARG A 66 4.649 4.372 -7.447 1.00 40.34 C ATOM 1011 NE ARG A 66 4.350 4.565 -6.031 1.00 25.22 N ATOM 1012 CZ ARG A 66 4.609 5.689 -5.371 1.00 60.53 C ATOM 1013 NH1 ARG A 66 5.168 6.715 -5.997 1.00 73.05 N ATOM 1014 NH2 ARG A 66 4.308 5.787 -4.083 1.00 0.32 N ATOM 0 H ARG A 66 2.752 0.389 -9.376 1.00 4.30 H new ATOM 0 HA ARG A 66 3.449 2.837 -10.879 1.00 33.21 H new ATOM 0 HB2 ARG A 66 5.137 1.646 -8.655 1.00 44.54 H new ATOM 0 HB3 ARG A 66 5.403 3.153 -9.509 1.00 44.54 H new ATOM 0 HG2 ARG A 66 2.923 3.633 -8.487 1.00 60.23 H new ATOM 0 HG3 ARG A 66 3.543 2.541 -7.265 1.00 60.23 H new ATOM 0 HD2 ARG A 66 5.712 4.163 -7.568 1.00 40.34 H new ATOM 0 HD3 ARG A 66 4.441 5.294 -7.990 1.00 40.34 H new ATOM 0 HE ARG A 66 3.919 3.795 -5.520 1.00 25.22 H new ATOM 0 HH11 ARG A 66 5.400 6.643 -6.988 1.00 73.05 H new ATOM 0 HH12 ARG A 66 5.366 7.577 -5.488 1.00 73.05 H new ATOM 0 HH21 ARG A 66 3.878 4.999 -3.599 1.00 0.32 H new ATOM 0 HH22 ARG A 66 4.507 6.650 -3.577 1.00 0.32 H new ATOM 1028 N ARG A 67 5.351 1.627 -12.080 1.00 55.24 N ATOM 1029 CA ARG A 67 6.179 0.843 -12.988 1.00 45.10 C ATOM 1030 C ARG A 67 7.577 0.642 -12.410 1.00 64.45 C ATOM 1031 O ARG A 67 8.202 1.587 -11.928 1.00 64.51 O ATOM 1032 CB ARG A 67 6.273 1.532 -14.351 1.00 5.13 C ATOM 1033 CG ARG A 67 4.985 1.470 -15.155 1.00 21.13 C ATOM 1034 CD ARG A 67 5.244 1.680 -16.638 1.00 52.04 C ATOM 1035 NE ARG A 67 6.068 0.617 -17.206 1.00 61.43 N ATOM 1036 CZ ARG A 67 6.493 0.609 -18.465 1.00 23.03 C ATOM 1037 NH1 ARG A 67 6.174 1.603 -19.282 1.00 31.01 N ATOM 1038 NH2 ARG A 67 7.240 -0.394 -18.908 1.00 22.31 N ATOM 0 H ARG A 67 5.413 2.636 -12.218 1.00 55.24 H new ATOM 0 HA ARG A 67 5.712 -0.134 -13.114 1.00 45.10 H new ATOM 0 HB2 ARG A 67 6.549 2.576 -14.203 1.00 5.13 H new ATOM 0 HB3 ARG A 67 7.074 1.070 -14.928 1.00 5.13 H new ATOM 0 HG2 ARG A 67 4.505 0.503 -15.002 1.00 21.13 H new ATOM 0 HG3 ARG A 67 4.293 2.230 -14.794 1.00 21.13 H new ATOM 0 HD2 ARG A 67 4.293 1.725 -17.169 1.00 52.04 H new ATOM 0 HD3 ARG A 67 5.738 2.640 -16.787 1.00 52.04 H new ATOM 0 HE ARG A 67 6.332 -0.162 -16.603 1.00 61.43 H new ATOM 0 HH11 ARG A 67 5.601 2.376 -18.945 1.00 31.01 H new ATOM 0 HH12 ARG A 67 6.502 1.594 -20.248 1.00 31.01 H new ATOM 0 HH21 ARG A 67 7.489 -1.160 -18.282 1.00 22.31 H new ATOM 0 HH22 ARG A 67 7.566 -0.399 -19.875 1.00 22.31 H new ATOM 1052 N ILE A 68 8.061 -0.595 -12.463 1.00 12.02 N ATOM 1053 CA ILE A 68 9.384 -0.920 -11.946 1.00 3.35 C ATOM 1054 C ILE A 68 10.108 -1.899 -12.863 1.00 43.35 C ATOM 1055 O ILE A 68 9.979 -3.114 -12.718 1.00 71.32 O ATOM 1056 CB ILE A 68 9.303 -1.524 -10.531 1.00 43.41 C ATOM 1057 CG1 ILE A 68 8.634 -0.539 -9.570 1.00 73.21 C ATOM 1058 CG2 ILE A 68 10.692 -1.896 -10.034 1.00 1.11 C ATOM 1059 CD1 ILE A 68 9.616 0.269 -8.752 1.00 11.33 C ATOM 0 H ILE A 68 7.556 -1.388 -12.859 1.00 12.02 H new ATOM 0 HA ILE A 68 9.943 0.015 -11.902 1.00 3.35 H new ATOM 0 HB ILE A 68 8.698 -2.430 -10.573 1.00 43.41 H new ATOM 0 HG12 ILE A 68 8.003 0.142 -10.141 1.00 73.21 H new ATOM 0 HG13 ILE A 68 7.979 -1.090 -8.895 1.00 73.21 H new ATOM 0 HG21 ILE A 68 10.618 -2.321 -9.033 1.00 1.11 H new ATOM 0 HG22 ILE A 68 11.135 -2.629 -10.708 1.00 1.11 H new ATOM 0 HG23 ILE A 68 11.319 -1.005 -10.004 1.00 1.11 H new ATOM 0 HD11 ILE A 68 9.071 0.946 -8.094 1.00 11.33 H new ATOM 0 HD12 ILE A 68 10.231 -0.403 -8.153 1.00 11.33 H new ATOM 0 HD13 ILE A 68 10.255 0.848 -9.419 1.00 11.33 H new