USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=5 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+ -159:sc= -0.0385 (180deg=-0.339) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.458 X(o=-0.46,f=0) 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= -7.03! C(o=-7!,f=-9.7!) USER MOD Single : A 20 GLN : amide:sc= -2.93 X(o=-2.9,f=-2.8!) USER MOD Single : A 29 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.19) USER MOD Single : A 46 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.085) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.93 K(o=-2.9,f=-4.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= 0.537 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.670 -2.137 -2.235 1.00 23.44 N ATOM 19 CA LYS A 2 3.453 -3.354 -2.415 1.00 72.41 C ATOM 20 C LYS A 2 4.050 -3.414 -3.817 1.00 71.44 C ATOM 21 O LYS A 2 3.462 -2.914 -4.776 1.00 55.30 O ATOM 22 CB LYS A 2 2.581 -4.587 -2.167 1.00 71.42 C ATOM 23 CG LYS A 2 1.775 -4.514 -0.882 1.00 22.12 C ATOM 24 CD LYS A 2 2.670 -4.283 0.325 1.00 73.53 C ATOM 25 CE LYS A 2 1.945 -4.598 1.624 1.00 30.43 C ATOM 26 NZ LYS A 2 0.945 -3.551 1.969 1.00 14.34 N ATOM 0 HA LYS A 2 4.269 -3.342 -1.692 1.00 72.41 H new ATOM 0 HB2 LYS A 2 1.898 -4.714 -3.007 1.00 71.42 H new ATOM 0 HB3 LYS A 2 3.217 -5.471 -2.137 1.00 71.42 H new ATOM 0 HG2 LYS A 2 1.045 -3.708 -0.955 1.00 22.12 H new ATOM 0 HG3 LYS A 2 1.215 -5.440 -0.749 1.00 22.12 H new ATOM 0 HD2 LYS A 2 3.561 -4.906 0.244 1.00 73.53 H new ATOM 0 HD3 LYS A 2 3.006 -3.246 0.337 1.00 73.53 H new ATOM 0 HE2 LYS A 2 1.445 -5.563 1.536 1.00 30.43 H new ATOM 0 HE3 LYS A 2 2.671 -4.687 2.432 1.00 30.43 H new ATOM 0 HZ1 LYS A 2 0.473 -3.803 2.861 1.00 14.34 H new ATOM 0 HZ2 LYS A 2 1.425 -2.635 2.078 1.00 14.34 H new ATOM 0 HZ3 LYS A 2 0.238 -3.483 1.210 1.00 14.34 H new ATOM 40 N LYS A 3 5.221 -4.032 -3.931 1.00 1.51 N ATOM 41 CA LYS A 3 5.897 -4.160 -5.216 1.00 63.23 C ATOM 42 C LYS A 3 6.095 -5.628 -5.583 1.00 13.43 C ATOM 43 O LYS A 3 6.533 -6.430 -4.759 1.00 51.41 O ATOM 44 CB LYS A 3 7.251 -3.447 -5.178 1.00 15.44 C ATOM 45 CG LYS A 3 7.183 -2.046 -4.594 1.00 22.24 C ATOM 46 CD LYS A 3 8.570 -1.465 -4.377 1.00 44.13 C ATOM 47 CE LYS A 3 9.181 -1.950 -3.071 1.00 72.45 C ATOM 48 NZ LYS A 3 8.469 -1.396 -1.887 1.00 20.14 N ATOM 0 H LYS A 3 5.722 -4.452 -3.148 1.00 1.51 H new ATOM 0 HA LYS A 3 5.269 -3.694 -5.976 1.00 63.23 H new ATOM 0 HB2 LYS A 3 7.950 -4.043 -4.591 1.00 15.44 H new ATOM 0 HB3 LYS A 3 7.652 -3.391 -6.190 1.00 15.44 H new ATOM 0 HG2 LYS A 3 6.617 -1.399 -5.264 1.00 22.24 H new ATOM 0 HG3 LYS A 3 6.646 -2.072 -3.646 1.00 22.24 H new ATOM 0 HD2 LYS A 3 9.217 -1.745 -5.208 1.00 44.13 H new ATOM 0 HD3 LYS A 3 8.512 -0.377 -4.371 1.00 44.13 H new ATOM 0 HE2 LYS A 3 9.149 -3.039 -3.037 1.00 72.45 H new ATOM 0 HE3 LYS A 3 10.231 -1.661 -3.032 1.00 72.45 H new ATOM 0 HZ1 LYS A 3 9.091 -1.441 -1.055 1.00 20.14 H new ATOM 0 HZ2 LYS A 3 8.208 -0.406 -2.071 1.00 20.14 H new ATOM 0 HZ3 LYS A 3 7.609 -1.953 -1.707 1.00 20.14 H new ATOM 62 N GLY A 4 5.770 -5.972 -6.825 1.00 55.13 N ATOM 63 CA GLY A 4 5.920 -7.342 -7.279 1.00 33.22 C ATOM 64 C GLY A 4 5.847 -7.465 -8.788 1.00 1.31 C ATOM 65 O GLY A 4 5.519 -6.502 -9.482 1.00 51.21 O ATOM 0 H GLY A 4 5.405 -5.326 -7.525 1.00 55.13 H new ATOM 0 HA2 GLY A 4 6.876 -7.734 -6.932 1.00 33.22 H new ATOM 0 HA3 GLY A 4 5.141 -7.958 -6.829 1.00 33.22 H new ATOM 69 N THR A 5 6.156 -8.652 -9.299 1.00 73.43 N ATOM 70 CA THR A 5 6.127 -8.897 -10.736 1.00 12.12 C ATOM 71 C THR A 5 4.697 -9.075 -11.235 1.00 4.53 C ATOM 72 O THR A 5 3.802 -9.431 -10.469 1.00 14.30 O ATOM 73 CB THR A 5 6.948 -10.145 -11.110 1.00 32.43 C ATOM 74 OG1 THR A 5 6.878 -11.111 -10.055 1.00 63.51 O ATOM 75 CG2 THR A 5 8.400 -9.779 -11.374 1.00 4.25 C ATOM 0 H THR A 5 6.429 -9.460 -8.739 1.00 73.43 H new ATOM 0 HA THR A 5 6.570 -8.023 -11.214 1.00 12.12 H new ATOM 0 HB THR A 5 6.527 -10.571 -12.021 1.00 32.43 H new ATOM 0 HG1 THR A 5 7.401 -11.902 -10.301 1.00 63.51 H new ATOM 0 HG21 THR A 5 8.960 -10.677 -11.636 1.00 4.25 H new ATOM 0 HG22 THR A 5 8.452 -9.066 -12.197 1.00 4.25 H new ATOM 0 HG23 THR A 5 8.831 -9.331 -10.478 1.00 4.25 H new ATOM 83 N VAL A 6 4.490 -8.825 -12.524 1.00 10.33 N ATOM 84 CA VAL A 6 3.169 -8.959 -13.126 1.00 12.14 C ATOM 85 C VAL A 6 3.040 -10.278 -13.879 1.00 54.10 C ATOM 86 O VAL A 6 3.902 -10.635 -14.682 1.00 5.25 O ATOM 87 CB VAL A 6 2.872 -7.797 -14.092 1.00 34.00 C ATOM 88 CG1 VAL A 6 3.756 -7.889 -15.326 1.00 71.31 C ATOM 89 CG2 VAL A 6 1.401 -7.790 -14.479 1.00 54.24 C ATOM 0 H VAL A 6 5.220 -8.529 -13.171 1.00 10.33 H new ATOM 0 HA VAL A 6 2.446 -8.937 -12.311 1.00 12.14 H new ATOM 0 HB VAL A 6 3.095 -6.859 -13.584 1.00 34.00 H new ATOM 0 HG11 VAL A 6 3.532 -7.060 -15.997 1.00 71.31 H new ATOM 0 HG12 VAL A 6 4.803 -7.841 -15.028 1.00 71.31 H new ATOM 0 HG13 VAL A 6 3.567 -8.832 -15.839 1.00 71.31 H new ATOM 0 HG21 VAL A 6 1.208 -6.963 -15.162 1.00 54.24 H new ATOM 0 HG22 VAL A 6 1.149 -8.731 -14.969 1.00 54.24 H new ATOM 0 HG23 VAL A 6 0.790 -7.672 -13.584 1.00 54.24 H new ATOM 99 N LYS A 7 1.955 -10.999 -13.616 1.00 22.40 N ATOM 100 CA LYS A 7 1.710 -12.279 -14.270 1.00 21.31 C ATOM 101 C LYS A 7 1.124 -12.075 -15.663 1.00 72.02 C ATOM 102 O LYS A 7 1.413 -12.837 -16.586 1.00 14.01 O ATOM 103 CB LYS A 7 0.761 -13.133 -13.426 1.00 21.12 C ATOM 104 CG LYS A 7 1.232 -14.565 -13.242 1.00 23.22 C ATOM 105 CD LYS A 7 1.072 -15.024 -11.802 1.00 72.53 C ATOM 106 CE LYS A 7 -0.394 -15.115 -11.406 1.00 61.23 C ATOM 107 NZ LYS A 7 -0.926 -16.498 -11.561 1.00 3.51 N ATOM 0 H LYS A 7 1.231 -10.718 -12.954 1.00 22.40 H new ATOM 0 HA LYS A 7 2.664 -12.797 -14.369 1.00 21.31 H new ATOM 0 HB2 LYS A 7 0.643 -12.670 -12.446 1.00 21.12 H new ATOM 0 HB3 LYS A 7 -0.223 -13.140 -13.896 1.00 21.12 H new ATOM 0 HG2 LYS A 7 0.664 -15.223 -13.900 1.00 23.22 H new ATOM 0 HG3 LYS A 7 2.278 -14.646 -13.536 1.00 23.22 H new ATOM 0 HD2 LYS A 7 1.546 -15.997 -11.674 1.00 72.53 H new ATOM 0 HD3 LYS A 7 1.587 -14.330 -11.138 1.00 72.53 H new ATOM 0 HE2 LYS A 7 -0.511 -14.795 -10.371 1.00 61.23 H new ATOM 0 HE3 LYS A 7 -0.979 -14.430 -12.020 1.00 61.23 H new ATOM 0 HZ1 LYS A 7 -1.927 -16.518 -11.281 1.00 3.51 H new ATOM 0 HZ2 LYS A 7 -0.838 -16.795 -12.554 1.00 3.51 H new ATOM 0 HZ3 LYS A 7 -0.384 -17.148 -10.956 1.00 3.51 H new ATOM 121 N TRP A 8 0.301 -11.042 -15.808 1.00 64.41 N ATOM 122 CA TRP A 8 -0.324 -10.738 -17.090 1.00 41.31 C ATOM 123 C TRP A 8 -1.036 -9.390 -17.042 1.00 30.42 C ATOM 124 O TRP A 8 -1.628 -9.026 -16.026 1.00 21.25 O ATOM 125 CB TRP A 8 -1.315 -11.839 -17.472 1.00 44.30 C ATOM 126 CG TRP A 8 -2.590 -11.788 -16.687 1.00 75.13 C ATOM 127 CD1 TRP A 8 -3.607 -10.888 -16.833 1.00 1.33 C ATOM 128 CD2 TRP A 8 -2.984 -12.674 -15.634 1.00 74.30 C ATOM 129 NE1 TRP A 8 -4.609 -11.161 -15.933 1.00 51.22 N ATOM 130 CE2 TRP A 8 -4.252 -12.252 -15.187 1.00 21.50 C ATOM 131 CE3 TRP A 8 -2.391 -13.784 -15.027 1.00 31.14 C ATOM 132 CZ2 TRP A 8 -4.933 -12.902 -14.161 1.00 1.33 C ATOM 133 CZ3 TRP A 8 -3.068 -14.427 -14.008 1.00 31.21 C ATOM 134 CH2 TRP A 8 -4.328 -13.985 -13.584 1.00 34.43 C ATOM 0 H TRP A 8 0.051 -10.402 -15.054 1.00 64.41 H new ATOM 0 HA TRP A 8 0.460 -10.687 -17.845 1.00 41.31 H new ATOM 0 HB2 TRP A 8 -1.547 -11.757 -18.534 1.00 44.30 H new ATOM 0 HB3 TRP A 8 -0.843 -12.810 -17.323 1.00 44.30 H new ATOM 0 HD1 TRP A 8 -3.622 -10.081 -17.550 1.00 1.33 H new ATOM 0 HE1 TRP A 8 -5.478 -10.636 -15.836 1.00 51.22 H new ATOM 0 HE3 TRP A 8 -1.421 -14.133 -15.348 1.00 31.14 H new ATOM 0 HZ2 TRP A 8 -5.904 -12.563 -13.832 1.00 1.33 H new ATOM 0 HZ3 TRP A 8 -2.618 -15.285 -13.530 1.00 31.21 H new ATOM 0 HH2 TRP A 8 -4.832 -14.510 -12.786 1.00 34.43 H new ATOM 145 N PHE A 9 -0.975 -8.654 -18.146 1.00 53.13 N ATOM 146 CA PHE A 9 -1.614 -7.346 -18.229 1.00 13.30 C ATOM 147 C PHE A 9 -2.293 -7.156 -19.583 1.00 25.33 C ATOM 148 O PHE A 9 -1.628 -6.966 -20.600 1.00 51.33 O ATOM 149 CB PHE A 9 -0.585 -6.237 -18.002 1.00 10.41 C ATOM 150 CG PHE A 9 -1.177 -4.856 -18.020 1.00 72.40 C ATOM 151 CD1 PHE A 9 -1.407 -4.202 -19.220 1.00 25.23 C ATOM 152 CD2 PHE A 9 -1.504 -4.213 -16.837 1.00 51.12 C ATOM 153 CE1 PHE A 9 -1.952 -2.932 -19.240 1.00 23.20 C ATOM 154 CE2 PHE A 9 -2.050 -2.943 -16.851 1.00 61.33 C ATOM 155 CZ PHE A 9 -2.273 -2.302 -18.054 1.00 2.40 C ATOM 0 H PHE A 9 -0.490 -8.941 -18.996 1.00 53.13 H new ATOM 0 HA PHE A 9 -2.375 -7.292 -17.450 1.00 13.30 H new ATOM 0 HB2 PHE A 9 -0.093 -6.400 -17.043 1.00 10.41 H new ATOM 0 HB3 PHE A 9 0.185 -6.304 -18.771 1.00 10.41 H new ATOM 0 HD1 PHE A 9 -1.157 -4.690 -20.150 1.00 25.23 H new ATOM 0 HD2 PHE A 9 -1.330 -4.709 -15.894 1.00 51.12 H new ATOM 0 HE1 PHE A 9 -2.127 -2.433 -20.182 1.00 23.20 H new ATOM 0 HE2 PHE A 9 -2.302 -2.453 -15.922 1.00 61.33 H new ATOM 0 HZ PHE A 9 -2.698 -1.309 -18.067 1.00 2.40 H new ATOM 165 N ASN A 10 -3.620 -7.211 -19.585 1.00 75.02 N ATOM 166 CA ASN A 10 -4.390 -7.047 -20.813 1.00 42.23 C ATOM 167 C ASN A 10 -4.584 -5.569 -21.140 1.00 32.20 C ATOM 168 O ASN A 10 -5.428 -4.898 -20.547 1.00 52.13 O ATOM 169 CB ASN A 10 -5.750 -7.735 -20.683 1.00 71.15 C ATOM 170 CG ASN A 10 -5.847 -8.988 -21.532 1.00 72.21 C ATOM 171 OD1 ASN A 10 -5.114 -9.954 -21.319 1.00 34.23 O ATOM 172 ND2 ASN A 10 -6.755 -8.977 -22.501 1.00 71.41 N ATOM 0 H ASN A 10 -4.185 -7.368 -18.750 1.00 75.02 H new ATOM 0 HA ASN A 10 -3.832 -7.511 -21.627 1.00 42.23 H new ATOM 0 HB2 ASN A 10 -5.926 -7.993 -19.639 1.00 71.15 H new ATOM 0 HB3 ASN A 10 -6.536 -7.039 -20.976 1.00 71.15 H new ATOM 0 HD21 ASN A 10 -6.866 -9.791 -23.105 1.00 71.41 H new ATOM 0 HD22 ASN A 10 -7.341 -8.154 -22.641 1.00 71.41 H new ATOM 179 N ALA A 11 -3.797 -5.070 -22.087 1.00 52.23 N ATOM 180 CA ALA A 11 -3.884 -3.673 -22.495 1.00 32.10 C ATOM 181 C ALA A 11 -5.089 -3.439 -23.400 1.00 31.40 C ATOM 182 O ALA A 11 -5.587 -2.319 -23.508 1.00 61.32 O ATOM 183 CB ALA A 11 -2.604 -3.248 -23.198 1.00 5.44 C ATOM 0 H ALA A 11 -3.092 -5.612 -22.586 1.00 52.23 H new ATOM 0 HA ALA A 11 -4.012 -3.066 -21.599 1.00 32.10 H new ATOM 0 HB1 ALA A 11 -2.683 -2.203 -23.497 1.00 5.44 H new ATOM 0 HB2 ALA A 11 -1.759 -3.369 -22.520 1.00 5.44 H new ATOM 0 HB3 ALA A 11 -2.451 -3.868 -24.082 1.00 5.44 H new ATOM 189 N GLU A 12 -5.552 -4.504 -24.048 1.00 40.22 N ATOM 190 CA GLU A 12 -6.698 -4.412 -24.945 1.00 60.41 C ATOM 191 C GLU A 12 -7.993 -4.234 -24.157 1.00 44.23 C ATOM 192 O GLU A 12 -8.971 -3.685 -24.665 1.00 32.25 O ATOM 193 CB GLU A 12 -6.789 -5.664 -25.821 1.00 15.22 C ATOM 194 CG GLU A 12 -5.691 -5.757 -26.866 1.00 25.00 C ATOM 195 CD GLU A 12 -6.082 -6.621 -28.049 1.00 31.43 C ATOM 196 OE1 GLU A 12 -7.217 -6.469 -28.546 1.00 35.14 O ATOM 197 OE2 GLU A 12 -5.252 -7.450 -28.477 1.00 71.35 O ATOM 0 H GLU A 12 -5.152 -5.439 -23.969 1.00 40.22 H new ATOM 0 HA GLU A 12 -6.559 -3.539 -25.583 1.00 60.41 H new ATOM 0 HB2 GLU A 12 -6.748 -6.547 -25.183 1.00 15.22 H new ATOM 0 HB3 GLU A 12 -7.757 -5.677 -26.321 1.00 15.22 H new ATOM 0 HG2 GLU A 12 -5.444 -4.755 -27.218 1.00 25.00 H new ATOM 0 HG3 GLU A 12 -4.790 -6.164 -26.406 1.00 25.00 H new ATOM 204 N LYS A 13 -7.991 -4.702 -22.914 1.00 3.33 N ATOM 205 CA LYS A 13 -9.163 -4.594 -22.054 1.00 31.35 C ATOM 206 C LYS A 13 -8.964 -3.514 -20.995 1.00 31.42 C ATOM 207 O LYS A 13 -9.883 -2.757 -20.687 1.00 10.42 O ATOM 208 CB LYS A 13 -9.451 -5.938 -21.379 1.00 52.53 C ATOM 209 CG LYS A 13 -9.974 -6.997 -22.334 1.00 25.55 C ATOM 210 CD LYS A 13 -11.270 -7.610 -21.831 1.00 55.44 C ATOM 211 CE LYS A 13 -12.206 -7.953 -22.980 1.00 53.12 C ATOM 212 NZ LYS A 13 -13.320 -8.840 -22.543 1.00 4.23 N ATOM 0 H LYS A 13 -7.190 -5.160 -22.479 1.00 3.33 H new ATOM 0 HA LYS A 13 -10.014 -4.316 -22.675 1.00 31.35 H new ATOM 0 HB2 LYS A 13 -8.537 -6.303 -20.910 1.00 52.53 H new ATOM 0 HB3 LYS A 13 -10.180 -5.787 -20.583 1.00 52.53 H new ATOM 0 HG2 LYS A 13 -10.137 -6.554 -23.316 1.00 25.55 H new ATOM 0 HG3 LYS A 13 -9.225 -7.779 -22.458 1.00 25.55 H new ATOM 0 HD2 LYS A 13 -11.050 -8.511 -21.258 1.00 55.44 H new ATOM 0 HD3 LYS A 13 -11.764 -6.914 -21.153 1.00 55.44 H new ATOM 0 HE2 LYS A 13 -12.616 -7.035 -23.400 1.00 53.12 H new ATOM 0 HE3 LYS A 13 -11.642 -8.443 -23.774 1.00 53.12 H new ATOM 0 HZ1 LYS A 13 -13.935 -9.050 -23.355 1.00 4.23 H new ATOM 0 HZ2 LYS A 13 -12.930 -9.727 -22.165 1.00 4.23 H new ATOM 0 HZ3 LYS A 13 -13.874 -8.363 -21.803 1.00 4.23 H new ATOM 226 N GLY A 14 -7.757 -3.449 -20.442 1.00 24.22 N ATOM 227 CA GLY A 14 -7.459 -2.458 -19.425 1.00 11.42 C ATOM 228 C GLY A 14 -7.458 -3.043 -18.027 1.00 35.43 C ATOM 229 O GLY A 14 -7.986 -2.439 -17.093 1.00 0.13 O ATOM 0 H GLY A 14 -6.980 -4.065 -20.680 1.00 24.22 H new ATOM 0 HA2 GLY A 14 -6.485 -2.013 -19.630 1.00 11.42 H new ATOM 0 HA3 GLY A 14 -8.194 -1.655 -19.479 1.00 11.42 H new ATOM 233 N TYR A 15 -6.867 -4.224 -17.882 1.00 3.31 N ATOM 234 CA TYR A 15 -6.803 -4.893 -16.588 1.00 75.43 C ATOM 235 C TYR A 15 -5.533 -5.730 -16.470 1.00 35.53 C ATOM 236 O TYR A 15 -4.846 -5.979 -17.459 1.00 24.42 O ATOM 237 CB TYR A 15 -8.033 -5.781 -16.389 1.00 71.24 C ATOM 238 CG TYR A 15 -8.008 -7.045 -17.219 1.00 20.22 C ATOM 239 CD1 TYR A 15 -7.360 -8.186 -16.763 1.00 21.34 C ATOM 240 CD2 TYR A 15 -8.633 -7.098 -18.459 1.00 33.45 C ATOM 241 CE1 TYR A 15 -7.334 -9.343 -17.517 1.00 41.15 C ATOM 242 CE2 TYR A 15 -8.614 -8.251 -19.220 1.00 24.24 C ATOM 243 CZ TYR A 15 -7.962 -9.371 -18.745 1.00 52.50 C ATOM 244 OH TYR A 15 -7.940 -10.521 -19.499 1.00 63.23 O ATOM 0 H TYR A 15 -6.425 -4.738 -18.645 1.00 3.31 H new ATOM 0 HA TYR A 15 -6.786 -4.128 -15.812 1.00 75.43 H new ATOM 0 HB2 TYR A 15 -8.110 -6.050 -15.335 1.00 71.24 H new ATOM 0 HB3 TYR A 15 -8.927 -5.210 -16.639 1.00 71.24 H new ATOM 0 HD1 TYR A 15 -6.868 -8.168 -15.802 1.00 21.34 H new ATOM 0 HD2 TYR A 15 -9.142 -6.223 -18.834 1.00 33.45 H new ATOM 0 HE1 TYR A 15 -6.825 -10.221 -17.147 1.00 41.15 H new ATOM 0 HE2 TYR A 15 -9.106 -8.276 -20.181 1.00 24.24 H new ATOM 0 HH TYR A 15 -8.429 -10.373 -20.335 1.00 63.23 H new ATOM 254 N GLY A 16 -5.229 -6.163 -15.250 1.00 13.04 N ATOM 255 CA GLY A 16 -4.043 -6.968 -15.022 1.00 54.12 C ATOM 256 C GLY A 16 -3.970 -7.505 -13.607 1.00 3.24 C ATOM 257 O GLY A 16 -4.808 -7.177 -12.766 1.00 44.12 O ATOM 0 H GLY A 16 -5.783 -5.971 -14.415 1.00 13.04 H new ATOM 0 HA2 GLY A 16 -4.033 -7.801 -15.724 1.00 54.12 H new ATOM 0 HA3 GLY A 16 -3.156 -6.368 -15.226 1.00 54.12 H new ATOM 261 N PHE A 17 -2.966 -8.334 -13.341 1.00 44.14 N ATOM 262 CA PHE A 17 -2.787 -8.920 -12.018 1.00 13.10 C ATOM 263 C PHE A 17 -1.319 -8.891 -11.604 1.00 21.31 C ATOM 264 O PHE A 17 -0.434 -9.229 -12.391 1.00 54.24 O ATOM 265 CB PHE A 17 -3.306 -10.359 -12.000 1.00 61.32 C ATOM 266 CG PHE A 17 -4.796 -10.457 -11.843 1.00 34.51 C ATOM 267 CD1 PHE A 17 -5.642 -10.069 -12.870 1.00 22.14 C ATOM 268 CD2 PHE A 17 -5.352 -10.938 -10.668 1.00 11.30 C ATOM 269 CE1 PHE A 17 -7.014 -10.159 -12.728 1.00 41.53 C ATOM 270 CE2 PHE A 17 -6.723 -11.030 -10.521 1.00 53.21 C ATOM 271 CZ PHE A 17 -7.555 -10.639 -11.552 1.00 12.40 C ATOM 0 H PHE A 17 -2.263 -8.615 -14.025 1.00 44.14 H new ATOM 0 HA PHE A 17 -3.359 -8.326 -11.305 1.00 13.10 H new ATOM 0 HB2 PHE A 17 -3.013 -10.854 -12.926 1.00 61.32 H new ATOM 0 HB3 PHE A 17 -2.826 -10.900 -11.184 1.00 61.32 H new ATOM 0 HD1 PHE A 17 -5.224 -9.692 -13.792 1.00 22.14 H new ATOM 0 HD2 PHE A 17 -4.706 -11.244 -9.858 1.00 11.30 H new ATOM 0 HE1 PHE A 17 -7.662 -9.854 -13.536 1.00 41.53 H new ATOM 0 HE2 PHE A 17 -7.144 -11.407 -9.601 1.00 53.21 H new ATOM 0 HZ PHE A 17 -8.627 -10.709 -11.438 1.00 12.40 H new ATOM 281 N ILE A 18 -1.068 -8.486 -10.364 1.00 0.42 N ATOM 282 CA ILE A 18 0.292 -8.413 -9.845 1.00 22.32 C ATOM 283 C ILE A 18 0.465 -9.315 -8.627 1.00 73.13 C ATOM 284 O ILE A 18 -0.472 -9.515 -7.854 1.00 64.31 O ATOM 285 CB ILE A 18 0.672 -6.971 -9.459 1.00 73.33 C ATOM 286 CG1 ILE A 18 0.465 -6.031 -10.649 1.00 33.04 C ATOM 287 CG2 ILE A 18 2.113 -6.914 -8.977 1.00 23.05 C ATOM 288 CD1 ILE A 18 0.157 -4.606 -10.246 1.00 5.23 C ATOM 0 H ILE A 18 -1.789 -8.203 -9.700 1.00 0.42 H new ATOM 0 HA ILE A 18 0.952 -8.753 -10.643 1.00 22.32 H new ATOM 0 HB ILE A 18 0.024 -6.645 -8.645 1.00 73.33 H new ATOM 0 HG12 ILE A 18 1.362 -6.039 -11.269 1.00 33.04 H new ATOM 0 HG13 ILE A 18 -0.351 -6.411 -11.264 1.00 33.04 H new ATOM 0 HG21 ILE A 18 2.366 -5.889 -8.708 1.00 23.05 H new ATOM 0 HG22 ILE A 18 2.231 -7.557 -8.105 1.00 23.05 H new ATOM 0 HG23 ILE A 18 2.776 -7.255 -9.772 1.00 23.05 H new ATOM 0 HD11 ILE A 18 0.022 -3.996 -11.139 1.00 5.23 H new ATOM 0 HD12 ILE A 18 -0.756 -4.585 -9.652 1.00 5.23 H new ATOM 0 HD13 ILE A 18 0.983 -4.208 -9.656 1.00 5.23 H new ATOM 300 N GLN A 19 1.668 -9.855 -8.463 1.00 42.32 N ATOM 301 CA GLN A 19 1.963 -10.734 -7.339 1.00 24.55 C ATOM 302 C GLN A 19 3.158 -10.219 -6.543 1.00 64.03 C ATOM 303 O GLN A 19 4.241 -10.018 -7.093 1.00 72.12 O ATOM 304 CB GLN A 19 2.240 -12.155 -7.834 1.00 32.12 C ATOM 305 CG GLN A 19 1.136 -12.718 -8.715 1.00 0.24 C ATOM 306 CD GLN A 19 1.120 -12.098 -10.098 1.00 1.11 C ATOM 307 OE1 GLN A 19 2.120 -12.128 -10.816 1.00 2.53 O ATOM 308 NE2 GLN A 19 -0.019 -11.532 -10.480 1.00 43.31 N ATOM 0 H GLN A 19 2.454 -9.699 -9.094 1.00 42.32 H new ATOM 0 HA GLN A 19 1.092 -10.748 -6.684 1.00 24.55 H new ATOM 0 HB2 GLN A 19 3.177 -12.161 -8.391 1.00 32.12 H new ATOM 0 HB3 GLN A 19 2.377 -12.810 -6.974 1.00 32.12 H new ATOM 0 HG2 GLN A 19 1.264 -13.797 -8.806 1.00 0.24 H new ATOM 0 HG3 GLN A 19 0.172 -12.550 -8.235 1.00 0.24 H new ATOM 0 HE21 GLN A 19 -0.823 -11.530 -9.853 1.00 43.31 H new ATOM 0 HE22 GLN A 19 -0.090 -11.099 -11.401 1.00 43.31 H new ATOM 317 N GLN A 20 2.953 -10.007 -5.247 1.00 65.13 N ATOM 318 CA GLN A 20 4.015 -9.514 -4.377 1.00 54.23 C ATOM 319 C GLN A 20 4.638 -10.654 -3.579 1.00 0.11 C ATOM 320 O GLN A 20 4.337 -11.824 -3.812 1.00 51.11 O ATOM 321 CB GLN A 20 3.469 -8.448 -3.426 1.00 15.13 C ATOM 322 CG GLN A 20 2.232 -8.891 -2.660 1.00 62.44 C ATOM 323 CD GLN A 20 1.809 -7.890 -1.604 1.00 2.20 C ATOM 324 OE1 GLN A 20 0.640 -7.511 -1.524 1.00 3.11 O ATOM 325 NE2 GLN A 20 2.760 -7.455 -0.786 1.00 22.05 N ATOM 0 H GLN A 20 2.063 -10.169 -4.776 1.00 65.13 H new ATOM 0 HA GLN A 20 4.788 -9.070 -5.004 1.00 54.23 H new ATOM 0 HB2 GLN A 20 4.248 -8.175 -2.714 1.00 15.13 H new ATOM 0 HB3 GLN A 20 3.230 -7.551 -3.998 1.00 15.13 H new ATOM 0 HG2 GLN A 20 1.411 -9.043 -3.361 1.00 62.44 H new ATOM 0 HG3 GLN A 20 2.428 -9.853 -2.186 1.00 62.44 H new ATOM 0 HE21 GLN A 20 3.716 -7.796 -0.888 1.00 22.05 H new ATOM 0 HE22 GLN A 20 2.535 -6.780 -0.055 1.00 22.05 H new ATOM 397 N VAL A 26 -3.153 -9.604 -7.274 1.00 2.23 N ATOM 398 CA VAL A 26 -3.938 -8.423 -6.935 1.00 34.20 C ATOM 399 C VAL A 26 -4.751 -7.942 -8.132 1.00 3.32 C ATOM 400 O VAL A 26 -4.364 -8.149 -9.282 1.00 42.42 O ATOM 401 CB VAL A 26 -3.040 -7.273 -6.442 1.00 63.34 C ATOM 402 CG1 VAL A 26 -2.653 -6.364 -7.599 1.00 70.52 C ATOM 403 CG2 VAL A 26 -3.738 -6.485 -5.344 1.00 42.05 C ATOM 0 HA VAL A 26 -4.615 -8.713 -6.132 1.00 34.20 H new ATOM 0 HB VAL A 26 -2.127 -7.700 -6.026 1.00 63.34 H new ATOM 0 HG11 VAL A 26 -2.019 -5.557 -7.232 1.00 70.52 H new ATOM 0 HG12 VAL A 26 -2.110 -6.940 -8.348 1.00 70.52 H new ATOM 0 HG13 VAL A 26 -3.553 -5.942 -8.047 1.00 70.52 H new ATOM 0 HG21 VAL A 26 -3.089 -5.676 -5.008 1.00 42.05 H new ATOM 0 HG22 VAL A 26 -4.667 -6.067 -5.731 1.00 42.05 H new ATOM 0 HG23 VAL A 26 -3.958 -7.146 -4.506 1.00 42.05 H new ATOM 413 N PHE A 27 -5.879 -7.298 -7.853 1.00 53.44 N ATOM 414 CA PHE A 27 -6.748 -6.786 -8.907 1.00 63.34 C ATOM 415 C PHE A 27 -6.302 -5.397 -9.353 1.00 44.14 C ATOM 416 O PHE A 27 -6.346 -4.440 -8.580 1.00 24.21 O ATOM 417 CB PHE A 27 -8.198 -6.738 -8.423 1.00 54.53 C ATOM 418 CG PHE A 27 -9.204 -6.812 -9.536 1.00 75.31 C ATOM 419 CD1 PHE A 27 -9.321 -7.958 -10.307 1.00 2.31 C ATOM 420 CD2 PHE A 27 -10.034 -5.737 -9.812 1.00 5.24 C ATOM 421 CE1 PHE A 27 -10.246 -8.030 -11.331 1.00 41.04 C ATOM 422 CE2 PHE A 27 -10.961 -5.803 -10.834 1.00 64.44 C ATOM 423 CZ PHE A 27 -11.066 -6.951 -11.596 1.00 51.20 C ATOM 0 H PHE A 27 -6.213 -7.118 -6.906 1.00 53.44 H new ATOM 0 HA PHE A 27 -6.679 -7.461 -9.760 1.00 63.34 H new ATOM 0 HB2 PHE A 27 -8.370 -7.564 -7.733 1.00 54.53 H new ATOM 0 HB3 PHE A 27 -8.355 -5.817 -7.862 1.00 54.53 H new ATOM 0 HD1 PHE A 27 -8.682 -8.805 -10.105 1.00 2.31 H new ATOM 0 HD2 PHE A 27 -9.955 -4.837 -9.221 1.00 5.24 H new ATOM 0 HE1 PHE A 27 -10.328 -8.929 -11.924 1.00 41.04 H new ATOM 0 HE2 PHE A 27 -11.603 -4.959 -11.037 1.00 64.44 H new ATOM 0 HZ PHE A 27 -11.788 -7.004 -12.397 1.00 51.20 H new ATOM 433 N VAL A 28 -5.871 -5.294 -10.607 1.00 33.11 N ATOM 434 CA VAL A 28 -5.417 -4.023 -11.157 1.00 52.45 C ATOM 435 C VAL A 28 -6.178 -3.672 -12.431 1.00 61.44 C ATOM 436 O VAL A 28 -6.541 -4.553 -13.212 1.00 54.43 O ATOM 437 CB VAL A 28 -3.908 -4.051 -11.465 1.00 73.11 C ATOM 438 CG1 VAL A 28 -3.223 -5.156 -10.675 1.00 41.33 C ATOM 439 CG2 VAL A 28 -3.672 -4.226 -12.958 1.00 35.44 C ATOM 0 H VAL A 28 -5.827 -6.076 -11.260 1.00 33.11 H new ATOM 0 HA VAL A 28 -5.612 -3.263 -10.400 1.00 52.45 H new ATOM 0 HB VAL A 28 -3.475 -3.098 -11.162 1.00 73.11 H new ATOM 0 HG11 VAL A 28 -2.158 -5.161 -10.905 1.00 41.33 H new ATOM 0 HG12 VAL A 28 -3.363 -4.981 -9.608 1.00 41.33 H new ATOM 0 HG13 VAL A 28 -3.657 -6.119 -10.945 1.00 41.33 H new ATOM 0 HG21 VAL A 28 -2.601 -4.244 -13.157 1.00 35.44 H new ATOM 0 HG22 VAL A 28 -4.118 -5.164 -13.289 1.00 35.44 H new ATOM 0 HG23 VAL A 28 -4.128 -3.396 -13.498 1.00 35.44 H new ATOM 449 N HIS A 29 -6.416 -2.381 -12.636 1.00 43.31 N ATOM 450 CA HIS A 29 -7.133 -1.913 -13.817 1.00 22.00 C ATOM 451 C HIS A 29 -6.596 -0.561 -14.279 1.00 33.45 C ATOM 452 O HIS A 29 -5.916 0.138 -13.527 1.00 34.41 O ATOM 453 CB HIS A 29 -8.629 -1.807 -13.522 1.00 73.11 C ATOM 454 CG HIS A 29 -9.401 -3.036 -13.893 1.00 54.42 C ATOM 455 ND1 HIS A 29 -10.251 -3.091 -14.978 1.00 34.55 N ATOM 456 CD2 HIS A 29 -9.447 -4.260 -13.318 1.00 20.01 C ATOM 457 CE1 HIS A 29 -10.788 -4.296 -15.052 1.00 63.42 C ATOM 458 NE2 HIS A 29 -10.316 -5.025 -14.057 1.00 24.03 N ATOM 0 H HIS A 29 -6.123 -1.640 -12.000 1.00 43.31 H new ATOM 0 HA HIS A 29 -6.978 -2.638 -14.617 1.00 22.00 H new ATOM 0 HB2 HIS A 29 -8.768 -1.607 -12.460 1.00 73.11 H new ATOM 0 HB3 HIS A 29 -9.038 -0.954 -14.063 1.00 73.11 H new ATOM 0 HD2 HIS A 29 -8.902 -4.577 -12.441 1.00 20.01 H new ATOM 0 HE1 HIS A 29 -11.493 -4.628 -15.799 1.00 63.42 H new ATOM 0 HE2 HIS A 29 -10.558 -5.998 -13.868 1.00 24.03 H new ATOM 466 N PHE A 30 -6.906 -0.200 -15.519 1.00 41.23 N ATOM 467 CA PHE A 30 -6.453 1.067 -16.082 1.00 13.33 C ATOM 468 C PHE A 30 -6.950 2.242 -15.245 1.00 12.35 C ATOM 469 O PHE A 30 -6.409 3.346 -15.318 1.00 63.04 O ATOM 470 CB PHE A 30 -6.941 1.212 -17.525 1.00 11.23 C ATOM 471 CG PHE A 30 -8.402 1.543 -17.633 1.00 73.42 C ATOM 472 CD1 PHE A 30 -8.830 2.860 -17.631 1.00 53.31 C ATOM 473 CD2 PHE A 30 -9.348 0.535 -17.737 1.00 0.12 C ATOM 474 CE1 PHE A 30 -10.174 3.168 -17.731 1.00 71.22 C ATOM 475 CE2 PHE A 30 -10.693 0.837 -17.838 1.00 20.54 C ATOM 476 CZ PHE A 30 -11.107 2.154 -17.834 1.00 3.35 C ATOM 0 H PHE A 30 -7.469 -0.766 -16.154 1.00 41.23 H new ATOM 0 HA PHE A 30 -5.363 1.071 -16.072 1.00 13.33 H new ATOM 0 HB2 PHE A 30 -6.362 1.992 -18.019 1.00 11.23 H new ATOM 0 HB3 PHE A 30 -6.746 0.283 -18.061 1.00 11.23 H new ATOM 0 HD1 PHE A 30 -8.105 3.656 -17.550 1.00 53.31 H new ATOM 0 HD2 PHE A 30 -9.031 -0.497 -17.739 1.00 0.12 H new ATOM 0 HE1 PHE A 30 -10.494 4.199 -17.729 1.00 71.22 H new ATOM 0 HE2 PHE A 30 -11.420 0.043 -17.920 1.00 20.54 H new ATOM 0 HZ PHE A 30 -12.158 2.391 -17.911 1.00 3.35 H new ATOM 486 N THR A 31 -7.986 1.998 -14.448 1.00 21.53 N ATOM 487 CA THR A 31 -8.558 3.034 -13.598 1.00 20.03 C ATOM 488 C THR A 31 -7.825 3.117 -12.264 1.00 14.25 C ATOM 489 O THR A 31 -8.232 3.855 -11.367 1.00 3.34 O ATOM 490 CB THR A 31 -10.054 2.782 -13.334 1.00 34.52 C ATOM 491 OG1 THR A 31 -10.219 1.613 -12.522 1.00 45.23 O ATOM 492 CG2 THR A 31 -10.813 2.608 -14.641 1.00 64.31 C ATOM 0 H THR A 31 -8.446 1.091 -14.374 1.00 21.53 H new ATOM 0 HA THR A 31 -8.445 3.978 -14.131 1.00 20.03 H new ATOM 0 HB THR A 31 -10.458 3.648 -12.810 1.00 34.52 H new ATOM 0 HG1 THR A 31 -11.173 1.461 -12.357 1.00 45.23 H new ATOM 0 HG21 THR A 31 -11.867 2.431 -14.429 1.00 64.31 H new ATOM 0 HG22 THR A 31 -10.711 3.510 -15.244 1.00 64.31 H new ATOM 0 HG23 THR A 31 -10.406 1.758 -15.188 1.00 64.31 H new ATOM 500 N ALA A 32 -6.743 2.356 -12.140 1.00 1.24 N ATOM 501 CA ALA A 32 -5.952 2.346 -10.915 1.00 40.53 C ATOM 502 C ALA A 32 -4.485 2.645 -11.207 1.00 13.22 C ATOM 503 O ALA A 32 -3.792 3.254 -10.391 1.00 72.11 O ATOM 504 CB ALA A 32 -6.089 1.006 -10.209 1.00 33.12 C ATOM 0 H ALA A 32 -6.394 1.738 -12.873 1.00 1.24 H new ATOM 0 HA ALA A 32 -6.332 3.130 -10.260 1.00 40.53 H new ATOM 0 HB1 ALA A 32 -5.493 1.013 -9.296 1.00 33.12 H new ATOM 0 HB2 ALA A 32 -7.135 0.832 -9.958 1.00 33.12 H new ATOM 0 HB3 ALA A 32 -5.737 0.211 -10.866 1.00 33.12 H new ATOM 510 N ILE A 33 -4.019 2.213 -12.373 1.00 61.34 N ATOM 511 CA ILE A 33 -2.634 2.435 -12.772 1.00 34.44 C ATOM 512 C ILE A 33 -2.249 3.903 -12.626 1.00 20.24 C ATOM 513 O ILE A 33 -2.956 4.790 -13.103 1.00 4.04 O ATOM 514 CB ILE A 33 -2.389 1.994 -14.227 1.00 35.53 C ATOM 515 CG1 ILE A 33 -2.550 0.477 -14.357 1.00 12.50 C ATOM 516 CG2 ILE A 33 -1.005 2.426 -14.685 1.00 41.24 C ATOM 517 CD1 ILE A 33 -3.041 0.037 -15.718 1.00 73.31 C ATOM 0 H ILE A 33 -4.580 1.707 -13.059 1.00 61.34 H new ATOM 0 HA ILE A 33 -2.014 1.831 -12.109 1.00 34.44 H new ATOM 0 HB ILE A 33 -3.129 2.475 -14.867 1.00 35.53 H new ATOM 0 HG12 ILE A 33 -1.592 -0.001 -14.153 1.00 12.50 H new ATOM 0 HG13 ILE A 33 -3.249 0.127 -13.597 1.00 12.50 H new ATOM 0 HG21 ILE A 33 -0.847 2.107 -15.715 1.00 41.24 H new ATOM 0 HG22 ILE A 33 -0.924 3.511 -14.625 1.00 41.24 H new ATOM 0 HG23 ILE A 33 -0.251 1.970 -14.044 1.00 41.24 H new ATOM 0 HD11 ILE A 33 -3.132 -1.049 -15.738 1.00 73.31 H new ATOM 0 HD12 ILE A 33 -4.014 0.486 -15.917 1.00 73.31 H new ATOM 0 HD13 ILE A 33 -2.331 0.356 -16.481 1.00 73.31 H new ATOM 529 N GLU A 34 -1.123 4.150 -11.964 1.00 44.44 N ATOM 530 CA GLU A 34 -0.643 5.512 -11.757 1.00 21.21 C ATOM 531 C GLU A 34 0.602 5.784 -12.596 1.00 24.41 C ATOM 532 O GLU A 34 1.727 5.561 -12.147 1.00 54.43 O ATOM 533 CB GLU A 34 -0.336 5.748 -10.277 1.00 24.23 C ATOM 534 CG GLU A 34 -1.536 5.549 -9.367 1.00 21.14 C ATOM 535 CD GLU A 34 -2.256 6.847 -9.059 1.00 14.21 C ATOM 536 OE1 GLU A 34 -1.572 7.869 -8.842 1.00 53.01 O ATOM 537 OE2 GLU A 34 -3.505 6.841 -9.035 1.00 71.25 O ATOM 0 H GLU A 34 -0.527 3.426 -11.562 1.00 44.44 H new ATOM 0 HA GLU A 34 -1.429 6.199 -12.072 1.00 21.21 H new ATOM 0 HB2 GLU A 34 0.460 5.071 -9.967 1.00 24.23 H new ATOM 0 HB3 GLU A 34 0.041 6.763 -10.150 1.00 24.23 H new ATOM 0 HG2 GLU A 34 -2.232 4.854 -9.837 1.00 21.14 H new ATOM 0 HG3 GLU A 34 -1.208 5.090 -8.435 1.00 21.14 H new ATOM 631 N LEU A 41 1.862 -2.562 -19.061 1.00 24.44 N ATOM 632 CA LEU A 41 2.970 -3.282 -18.441 1.00 70.13 C ATOM 633 C LEU A 41 3.371 -4.491 -19.280 1.00 71.05 C ATOM 634 O LEU A 41 2.772 -4.763 -20.320 1.00 64.12 O ATOM 635 CB LEU A 41 2.587 -3.731 -17.030 1.00 52.11 C ATOM 636 CG LEU A 41 2.394 -2.617 -16.000 1.00 43.15 C ATOM 637 CD1 LEU A 41 3.563 -1.644 -16.042 1.00 34.23 C ATOM 638 CD2 LEU A 41 1.081 -1.887 -16.244 1.00 24.03 C ATOM 0 HA LEU A 41 3.822 -2.605 -18.381 1.00 70.13 H new ATOM 0 HB2 LEU A 41 1.663 -4.306 -17.092 1.00 52.11 H new ATOM 0 HB3 LEU A 41 3.359 -4.407 -16.664 1.00 52.11 H new ATOM 0 HG LEU A 41 2.357 -3.067 -15.008 1.00 43.15 H new ATOM 0 HD11 LEU A 41 3.409 -0.858 -15.303 1.00 34.23 H new ATOM 0 HD12 LEU A 41 4.488 -2.176 -15.818 1.00 34.23 H new ATOM 0 HD13 LEU A 41 3.631 -1.200 -17.035 1.00 34.23 H new ATOM 0 HD21 LEU A 41 0.960 -1.098 -15.502 1.00 24.03 H new ATOM 0 HD22 LEU A 41 1.088 -1.449 -17.242 1.00 24.03 H new ATOM 0 HD23 LEU A 41 0.253 -2.591 -16.163 1.00 24.03 H new ATOM 650 N ASN A 42 4.387 -5.214 -18.820 1.00 35.12 N ATOM 651 CA ASN A 42 4.866 -6.396 -19.527 1.00 45.33 C ATOM 652 C ASN A 42 5.045 -7.569 -18.568 1.00 42.24 C ATOM 653 O ASN A 42 5.652 -7.428 -17.507 1.00 60.23 O ATOM 654 CB ASN A 42 6.191 -6.092 -20.231 1.00 55.51 C ATOM 655 CG ASN A 42 6.194 -4.727 -20.892 1.00 54.33 C ATOM 656 OD1 ASN A 42 6.479 -3.715 -20.252 1.00 4.02 O ATOM 657 ND2 ASN A 42 5.874 -4.693 -22.181 1.00 24.01 N ATOM 0 H ASN A 42 4.894 -5.002 -17.961 1.00 35.12 H new ATOM 0 HA ASN A 42 4.120 -6.670 -20.273 1.00 45.33 H new ATOM 0 HB2 ASN A 42 7.004 -6.144 -19.507 1.00 55.51 H new ATOM 0 HB3 ASN A 42 6.384 -6.857 -20.983 1.00 55.51 H new ATOM 0 HD21 ASN A 42 5.858 -3.803 -22.679 1.00 24.01 H new ATOM 0 HD22 ASN A 42 5.645 -5.557 -22.672 1.00 24.01 H new ATOM 664 N GLU A 43 4.513 -8.725 -18.951 1.00 34.21 N ATOM 665 CA GLU A 43 4.614 -9.922 -18.124 1.00 75.44 C ATOM 666 C GLU A 43 6.066 -10.204 -17.750 1.00 32.11 C ATOM 667 O GLU A 43 6.952 -10.190 -18.603 1.00 22.01 O ATOM 668 CB GLU A 43 4.022 -11.127 -18.859 1.00 32.33 C ATOM 669 CG GLU A 43 4.181 -12.437 -18.106 1.00 21.43 C ATOM 670 CD GLU A 43 3.784 -13.641 -18.938 1.00 44.14 C ATOM 671 OE1 GLU A 43 3.632 -13.488 -20.168 1.00 55.12 O ATOM 672 OE2 GLU A 43 3.627 -14.736 -18.359 1.00 60.34 O ATOM 0 H GLU A 43 4.008 -8.858 -19.827 1.00 34.21 H new ATOM 0 HA GLU A 43 4.048 -9.749 -17.208 1.00 75.44 H new ATOM 0 HB2 GLU A 43 2.962 -10.947 -19.039 1.00 32.33 H new ATOM 0 HB3 GLU A 43 4.500 -11.218 -19.834 1.00 32.33 H new ATOM 0 HG2 GLU A 43 5.218 -12.546 -17.789 1.00 21.43 H new ATOM 0 HG3 GLU A 43 3.572 -12.408 -17.202 1.00 21.43 H new ATOM 679 N GLY A 44 6.301 -10.459 -16.466 1.00 61.54 N ATOM 680 CA GLY A 44 7.646 -10.740 -16.000 1.00 65.14 C ATOM 681 C GLY A 44 8.333 -9.511 -15.438 1.00 22.53 C ATOM 682 O GLY A 44 9.369 -9.618 -14.782 1.00 43.24 O ATOM 0 H GLY A 44 5.584 -10.476 -15.741 1.00 61.54 H new ATOM 0 HA2 GLY A 44 7.607 -11.514 -15.233 1.00 65.14 H new ATOM 0 HA3 GLY A 44 8.237 -11.138 -16.825 1.00 65.14 H new ATOM 686 N GLU A 45 7.756 -8.342 -15.696 1.00 34.25 N ATOM 687 CA GLU A 45 8.321 -7.088 -15.212 1.00 23.44 C ATOM 688 C GLU A 45 7.818 -6.771 -13.806 1.00 52.25 C ATOM 689 O GLU A 45 6.792 -7.294 -13.369 1.00 64.22 O ATOM 690 CB GLU A 45 7.968 -5.943 -16.163 1.00 20.02 C ATOM 691 CG GLU A 45 8.708 -4.651 -15.861 1.00 2.12 C ATOM 692 CD GLU A 45 9.107 -3.900 -17.116 1.00 63.14 C ATOM 693 OE1 GLU A 45 8.291 -3.093 -17.609 1.00 61.20 O ATOM 694 OE2 GLU A 45 10.235 -4.119 -17.606 1.00 73.22 O ATOM 0 H GLU A 45 6.898 -8.237 -16.237 1.00 34.25 H new ATOM 0 HA GLU A 45 9.405 -7.198 -15.175 1.00 23.44 H new ATOM 0 HB2 GLU A 45 8.191 -6.249 -17.185 1.00 20.02 H new ATOM 0 HB3 GLU A 45 6.895 -5.758 -16.113 1.00 20.02 H new ATOM 0 HG2 GLU A 45 8.077 -4.011 -15.244 1.00 2.12 H new ATOM 0 HG3 GLU A 45 9.601 -4.876 -15.277 1.00 2.12 H new ATOM 701 N HIS A 46 8.547 -5.910 -13.103 1.00 51.14 N ATOM 702 CA HIS A 46 8.175 -5.522 -11.747 1.00 50.25 C ATOM 703 C HIS A 46 7.316 -4.261 -11.760 1.00 31.05 C ATOM 704 O HIS A 46 7.561 -3.338 -12.536 1.00 2.31 O ATOM 705 CB HIS A 46 9.426 -5.293 -10.899 1.00 11.52 C ATOM 706 CG HIS A 46 10.561 -6.206 -11.246 1.00 32.33 C ATOM 707 ND1 HIS A 46 10.810 -7.385 -10.575 1.00 73.33 N ATOM 708 CD2 HIS A 46 11.515 -6.109 -12.200 1.00 64.34 C ATOM 709 CE1 HIS A 46 11.869 -7.973 -11.101 1.00 63.15 C ATOM 710 NE2 HIS A 46 12.316 -7.219 -12.090 1.00 22.42 N ATOM 0 H HIS A 46 9.398 -5.468 -13.450 1.00 51.14 H new ATOM 0 HA HIS A 46 7.592 -6.333 -11.309 1.00 50.25 H new ATOM 0 HB2 HIS A 46 9.752 -4.260 -11.019 1.00 11.52 H new ATOM 0 HB3 HIS A 46 9.172 -5.427 -9.848 1.00 11.52 H new ATOM 0 HD2 HIS A 46 11.626 -5.308 -12.915 1.00 64.34 H new ATOM 0 HE1 HIS A 46 12.297 -8.910 -10.778 1.00 63.15 H new ATOM 0 HE2 HIS A 46 13.124 -7.428 -12.676 1.00 22.42 H new ATOM 718 N VAL A 47 6.307 -4.230 -10.894 1.00 42.33 N ATOM 719 CA VAL A 47 5.412 -3.082 -10.805 1.00 72.52 C ATOM 720 C VAL A 47 4.783 -2.982 -9.420 1.00 22.31 C ATOM 721 O VAL A 47 4.444 -3.994 -8.808 1.00 34.15 O ATOM 722 CB VAL A 47 4.292 -3.161 -11.860 1.00 45.34 C ATOM 723 CG1 VAL A 47 4.881 -3.185 -13.263 1.00 22.13 C ATOM 724 CG2 VAL A 47 3.418 -4.382 -11.619 1.00 51.21 C ATOM 0 H VAL A 47 6.089 -4.986 -10.245 1.00 42.33 H new ATOM 0 HA VAL A 47 6.016 -2.194 -10.992 1.00 72.52 H new ATOM 0 HB VAL A 47 3.667 -2.272 -11.769 1.00 45.34 H new ATOM 0 HG11 VAL A 47 4.075 -3.241 -13.995 1.00 22.13 H new ATOM 0 HG12 VAL A 47 5.460 -2.277 -13.430 1.00 22.13 H new ATOM 0 HG13 VAL A 47 5.530 -4.054 -13.370 1.00 22.13 H new ATOM 0 HG21 VAL A 47 2.632 -4.422 -12.373 1.00 51.21 H new ATOM 0 HG22 VAL A 47 4.027 -5.284 -11.682 1.00 51.21 H new ATOM 0 HG23 VAL A 47 2.967 -4.317 -10.629 1.00 51.21 H new ATOM 734 N GLU A 48 4.631 -1.755 -8.932 1.00 40.13 N ATOM 735 CA GLU A 48 4.043 -1.523 -7.618 1.00 70.23 C ATOM 736 C GLU A 48 2.520 -1.487 -7.703 1.00 13.24 C ATOM 737 O GLU A 48 1.950 -1.346 -8.785 1.00 31.31 O ATOM 738 CB GLU A 48 4.563 -0.212 -7.026 1.00 44.22 C ATOM 739 CG GLU A 48 4.285 -0.062 -5.540 1.00 24.31 C ATOM 740 CD GLU A 48 4.985 1.138 -4.933 1.00 44.22 C ATOM 741 OE1 GLU A 48 6.229 1.105 -4.821 1.00 31.10 O ATOM 742 OE2 GLU A 48 4.291 2.110 -4.571 1.00 13.33 O ATOM 0 H GLU A 48 4.907 -0.907 -9.427 1.00 40.13 H new ATOM 0 HA GLU A 48 4.334 -2.347 -6.967 1.00 70.23 H new ATOM 0 HB2 GLU A 48 5.638 -0.149 -7.194 1.00 44.22 H new ATOM 0 HB3 GLU A 48 4.107 0.623 -7.558 1.00 44.22 H new ATOM 0 HG2 GLU A 48 3.210 0.031 -5.383 1.00 24.31 H new ATOM 0 HG3 GLU A 48 4.606 -0.965 -5.021 1.00 24.31 H new ATOM 749 N PHE A 49 1.866 -1.615 -6.553 1.00 2.14 N ATOM 750 CA PHE A 49 0.409 -1.598 -6.495 1.00 62.44 C ATOM 751 C PHE A 49 -0.077 -1.443 -5.057 1.00 61.13 C ATOM 752 O PHE A 49 0.360 -2.166 -4.163 1.00 33.33 O ATOM 753 CB PHE A 49 -0.161 -2.882 -7.102 1.00 62.15 C ATOM 754 CG PHE A 49 0.245 -4.126 -6.365 1.00 2.23 C ATOM 755 CD1 PHE A 49 1.445 -4.756 -6.651 1.00 24.33 C ATOM 756 CD2 PHE A 49 -0.574 -4.665 -5.385 1.00 43.34 C ATOM 757 CE1 PHE A 49 1.822 -5.901 -5.973 1.00 42.24 C ATOM 758 CE2 PHE A 49 -0.202 -5.809 -4.705 1.00 1.44 C ATOM 759 CZ PHE A 49 0.997 -6.428 -5.000 1.00 32.13 C ATOM 0 H PHE A 49 2.322 -1.732 -5.648 1.00 2.14 H new ATOM 0 HA PHE A 49 0.057 -0.743 -7.073 1.00 62.44 H new ATOM 0 HB2 PHE A 49 -1.249 -2.816 -7.115 1.00 62.15 H new ATOM 0 HB3 PHE A 49 0.166 -2.961 -8.139 1.00 62.15 H new ATOM 0 HD1 PHE A 49 2.094 -4.348 -7.412 1.00 24.33 H new ATOM 0 HD2 PHE A 49 -1.513 -4.186 -5.150 1.00 43.34 H new ATOM 0 HE1 PHE A 49 2.761 -6.382 -6.205 1.00 42.24 H new ATOM 0 HE2 PHE A 49 -0.849 -6.219 -3.943 1.00 1.44 H new ATOM 0 HZ PHE A 49 1.288 -7.323 -4.470 1.00 32.13 H new ATOM 769 N GLU A 50 -0.983 -0.494 -4.844 1.00 41.24 N ATOM 770 CA GLU A 50 -1.527 -0.243 -3.515 1.00 52.42 C ATOM 771 C GLU A 50 -2.879 -0.929 -3.342 1.00 51.22 C ATOM 772 O GLU A 50 -3.904 -0.433 -3.810 1.00 51.12 O ATOM 773 CB GLU A 50 -1.672 1.262 -3.275 1.00 60.41 C ATOM 774 CG GLU A 50 -0.370 1.945 -2.891 1.00 72.23 C ATOM 775 CD GLU A 50 -0.564 3.402 -2.520 1.00 44.31 C ATOM 776 OE1 GLU A 50 -1.727 3.822 -2.349 1.00 1.22 O ATOM 777 OE2 GLU A 50 0.450 4.123 -2.401 1.00 35.13 O ATOM 0 H GLU A 50 -1.355 0.113 -5.574 1.00 41.24 H new ATOM 0 HA GLU A 50 -0.833 -0.656 -2.782 1.00 52.42 H new ATOM 0 HB2 GLU A 50 -2.065 1.729 -4.178 1.00 60.41 H new ATOM 0 HB3 GLU A 50 -2.405 1.427 -2.486 1.00 60.41 H new ATOM 0 HG2 GLU A 50 0.079 1.416 -2.050 1.00 72.23 H new ATOM 0 HG3 GLU A 50 0.331 1.876 -3.722 1.00 72.23 H new ATOM 784 N VAL A 51 -2.873 -2.074 -2.667 1.00 1.33 N ATOM 785 CA VAL A 51 -4.098 -2.829 -2.431 1.00 3.22 C ATOM 786 C VAL A 51 -5.068 -2.042 -1.557 1.00 74.41 C ATOM 787 O VAL A 51 -4.707 -1.574 -0.478 1.00 33.51 O ATOM 788 CB VAL A 51 -3.802 -4.183 -1.760 1.00 25.15 C ATOM 789 CG1 VAL A 51 -2.881 -5.022 -2.633 1.00 35.30 C ATOM 790 CG2 VAL A 51 -3.195 -3.972 -0.380 1.00 71.44 C ATOM 0 H VAL A 51 -2.033 -2.499 -2.274 1.00 1.33 H new ATOM 0 HA VAL A 51 -4.553 -3.007 -3.405 1.00 3.22 H new ATOM 0 HB VAL A 51 -4.741 -4.723 -1.641 1.00 25.15 H new ATOM 0 HG11 VAL A 51 -2.683 -5.975 -2.142 1.00 35.30 H new ATOM 0 HG12 VAL A 51 -3.357 -5.202 -3.597 1.00 35.30 H new ATOM 0 HG13 VAL A 51 -1.942 -4.491 -2.786 1.00 35.30 H new ATOM 0 HG21 VAL A 51 -2.992 -4.939 0.080 1.00 71.44 H new ATOM 0 HG22 VAL A 51 -2.264 -3.412 -0.474 1.00 71.44 H new ATOM 0 HG23 VAL A 51 -3.893 -3.413 0.243 1.00 71.44 H new ATOM 800 N GLU A 52 -6.302 -1.902 -2.031 1.00 53.34 N ATOM 801 CA GLU A 52 -7.325 -1.171 -1.293 1.00 33.15 C ATOM 802 C GLU A 52 -8.506 -2.078 -0.957 1.00 2.04 C ATOM 803 O GLU A 52 -8.712 -3.124 -1.572 1.00 73.11 O ATOM 804 CB GLU A 52 -7.808 0.034 -2.102 1.00 72.14 C ATOM 805 CG GLU A 52 -7.015 1.303 -1.837 1.00 72.43 C ATOM 806 CD GLU A 52 -6.906 1.624 -0.359 1.00 40.24 C ATOM 807 OE1 GLU A 52 -5.946 1.147 0.281 1.00 11.15 O ATOM 808 OE2 GLU A 52 -7.780 2.352 0.156 1.00 3.21 O ATOM 0 H GLU A 52 -6.617 -2.285 -2.922 1.00 53.34 H new ATOM 0 HA GLU A 52 -6.882 -0.819 -0.361 1.00 33.15 H new ATOM 0 HB2 GLU A 52 -7.750 -0.205 -3.164 1.00 72.14 H new ATOM 0 HB3 GLU A 52 -8.858 0.217 -1.873 1.00 72.14 H new ATOM 0 HG2 GLU A 52 -6.015 1.196 -2.257 1.00 72.43 H new ATOM 0 HG3 GLU A 52 -7.490 2.138 -2.352 1.00 72.43 H new ATOM 815 N PRO A 53 -9.300 -1.669 0.044 1.00 5.12 N ATOM 816 CA PRO A 53 -10.473 -2.429 0.485 1.00 23.14 C ATOM 817 C PRO A 53 -11.597 -2.410 -0.545 1.00 22.13 C ATOM 818 O PRO A 53 -11.668 -3.276 -1.416 1.00 15.23 O ATOM 819 CB PRO A 53 -10.905 -1.704 1.762 1.00 33.45 C ATOM 820 CG PRO A 53 -10.394 -0.315 1.601 1.00 41.50 C ATOM 821 CD PRO A 53 -9.113 -0.432 0.822 1.00 72.41 C ATOM 0 HA PRO A 53 -10.243 -3.484 0.634 1.00 23.14 H new ATOM 0 HB2 PRO A 53 -11.989 -1.716 1.877 1.00 33.45 H new ATOM 0 HB3 PRO A 53 -10.485 -2.180 2.648 1.00 33.45 H new ATOM 0 HG2 PRO A 53 -11.116 0.308 1.073 1.00 41.50 H new ATOM 0 HG3 PRO A 53 -10.220 0.151 2.571 1.00 41.50 H new ATOM 0 HD2 PRO A 53 -8.956 0.431 0.174 1.00 72.41 H new ATOM 0 HD3 PRO A 53 -8.247 -0.498 1.480 1.00 72.41 H new ATOM 829 N GLY A 54 -12.474 -1.416 -0.439 1.00 45.11 N ATOM 830 CA GLY A 54 -13.582 -1.303 -1.368 1.00 54.04 C ATOM 831 C GLY A 54 -13.175 -0.667 -2.683 1.00 0.14 C ATOM 832 O GLY A 54 -13.679 0.395 -3.048 1.00 41.15 O ATOM 0 H GLY A 54 -12.436 -0.687 0.274 1.00 45.11 H new ATOM 0 HA2 GLY A 54 -13.994 -2.294 -1.560 1.00 54.04 H new ATOM 0 HA3 GLY A 54 -14.375 -0.711 -0.912 1.00 54.04 H new ATOM 836 N ARG A 55 -12.259 -1.316 -3.394 1.00 31.43 N ATOM 837 CA ARG A 55 -11.782 -0.806 -4.673 1.00 51.03 C ATOM 838 C ARG A 55 -11.817 -1.896 -5.741 1.00 14.13 C ATOM 839 O ARG A 55 -12.197 -1.647 -6.884 1.00 62.12 O ATOM 840 CB ARG A 55 -10.359 -0.262 -4.531 1.00 72.33 C ATOM 841 CG ARG A 55 -10.179 1.132 -5.109 1.00 74.12 C ATOM 842 CD ARG A 55 -10.364 2.204 -4.046 1.00 61.42 C ATOM 843 NE ARG A 55 -10.477 3.538 -4.628 1.00 42.23 N ATOM 844 CZ ARG A 55 -11.545 3.961 -5.295 1.00 40.21 C ATOM 845 NH1 ARG A 55 -12.587 3.158 -5.463 1.00 3.43 N ATOM 846 NH2 ARG A 55 -11.573 5.190 -5.795 1.00 62.13 N ATOM 0 H ARG A 55 -11.832 -2.196 -3.106 1.00 31.43 H new ATOM 0 HA ARG A 55 -12.444 0.003 -4.982 1.00 51.03 H new ATOM 0 HB2 ARG A 55 -10.089 -0.246 -3.475 1.00 72.33 H new ATOM 0 HB3 ARG A 55 -9.667 -0.944 -5.026 1.00 72.33 H new ATOM 0 HG2 ARG A 55 -9.185 1.220 -5.547 1.00 74.12 H new ATOM 0 HG3 ARG A 55 -10.897 1.289 -5.914 1.00 74.12 H new ATOM 0 HD2 ARG A 55 -11.259 1.986 -3.463 1.00 61.42 H new ATOM 0 HD3 ARG A 55 -9.520 2.180 -3.356 1.00 61.42 H new ATOM 0 HE ARG A 55 -9.693 4.181 -4.516 1.00 42.23 H new ATOM 0 HH11 ARG A 55 -12.570 2.213 -5.080 1.00 3.43 H new ATOM 0 HH12 ARG A 55 -13.406 3.485 -5.976 1.00 3.43 H new ATOM 0 HH21 ARG A 55 -10.774 5.811 -5.667 1.00 62.13 H new ATOM 0 HH22 ARG A 55 -12.394 5.514 -6.307 1.00 62.13 H new ATOM 860 N GLY A 56 -11.418 -3.105 -5.358 1.00 74.20 N ATOM 861 CA GLY A 56 -11.411 -4.215 -6.294 1.00 14.44 C ATOM 862 C GLY A 56 -12.478 -5.244 -5.980 1.00 33.54 C ATOM 863 O GLY A 56 -12.854 -5.426 -4.822 1.00 73.24 O ATOM 0 H GLY A 56 -11.100 -3.336 -4.417 1.00 74.20 H new ATOM 0 HA2 GLY A 56 -11.563 -3.835 -7.304 1.00 14.44 H new ATOM 0 HA3 GLY A 56 -10.432 -4.694 -6.277 1.00 14.44 H new ATOM 867 N GLY A 57 -12.969 -5.920 -7.014 1.00 74.13 N ATOM 868 CA GLY A 57 -13.996 -6.927 -6.822 1.00 73.54 C ATOM 869 C GLY A 57 -13.652 -7.903 -5.715 1.00 3.05 C ATOM 870 O GLY A 57 -14.400 -8.046 -4.748 1.00 32.15 O ATOM 0 H GLY A 57 -12.674 -5.788 -7.981 1.00 74.13 H new ATOM 0 HA2 GLY A 57 -14.942 -6.437 -6.589 1.00 73.54 H new ATOM 0 HA3 GLY A 57 -14.142 -7.475 -7.753 1.00 73.54 H new ATOM 874 N LYS A 58 -12.516 -8.578 -5.855 1.00 21.01 N ATOM 875 CA LYS A 58 -12.073 -9.546 -4.859 1.00 24.21 C ATOM 876 C LYS A 58 -11.690 -8.850 -3.556 1.00 73.44 C ATOM 877 O LYS A 58 -11.501 -9.498 -2.528 1.00 20.23 O ATOM 878 CB LYS A 58 -10.881 -10.347 -5.390 1.00 55.45 C ATOM 879 CG LYS A 58 -11.126 -10.967 -6.755 1.00 42.54 C ATOM 880 CD LYS A 58 -12.351 -11.865 -6.749 1.00 13.14 C ATOM 881 CE LYS A 58 -12.163 -13.057 -5.823 1.00 72.11 C ATOM 882 NZ LYS A 58 -13.212 -14.093 -6.033 1.00 61.32 N ATOM 0 H LYS A 58 -11.885 -8.472 -6.649 1.00 21.01 H new ATOM 0 HA LYS A 58 -12.900 -10.227 -4.658 1.00 24.21 H new ATOM 0 HB2 LYS A 58 -10.011 -9.693 -5.448 1.00 55.45 H new ATOM 0 HB3 LYS A 58 -10.639 -11.137 -4.679 1.00 55.45 H new ATOM 0 HG2 LYS A 58 -11.256 -10.178 -7.496 1.00 42.54 H new ATOM 0 HG3 LYS A 58 -10.252 -11.545 -7.055 1.00 42.54 H new ATOM 0 HD2 LYS A 58 -13.222 -11.291 -6.433 1.00 13.14 H new ATOM 0 HD3 LYS A 58 -12.551 -12.217 -7.761 1.00 13.14 H new ATOM 0 HE2 LYS A 58 -11.180 -13.496 -5.991 1.00 72.11 H new ATOM 0 HE3 LYS A 58 -12.188 -12.720 -4.787 1.00 72.11 H new ATOM 0 HZ1 LYS A 58 -13.049 -14.889 -5.383 1.00 61.32 H new ATOM 0 HZ2 LYS A 58 -14.149 -13.681 -5.848 1.00 61.32 H new ATOM 0 HZ3 LYS A 58 -13.172 -14.434 -7.015 1.00 61.32 H new ATOM 896 N GLY A 59 -11.580 -7.526 -3.608 1.00 21.30 N ATOM 897 CA GLY A 59 -11.222 -6.765 -2.425 1.00 73.13 C ATOM 898 C GLY A 59 -9.979 -5.923 -2.632 1.00 21.12 C ATOM 899 O GLY A 59 -10.053 -4.720 -2.881 1.00 45.32 O ATOM 0 H GLY A 59 -11.732 -6.967 -4.448 1.00 21.30 H new ATOM 0 HA2 GLY A 59 -12.054 -6.117 -2.148 1.00 73.13 H new ATOM 0 HA3 GLY A 59 -11.059 -7.449 -1.592 1.00 73.13 H new ATOM 903 N PRO A 60 -8.804 -6.561 -2.526 1.00 45.42 N ATOM 904 CA PRO A 60 -7.516 -5.881 -2.699 1.00 11.05 C ATOM 905 C PRO A 60 -7.271 -5.462 -4.144 1.00 65.30 C ATOM 906 O PRO A 60 -7.077 -6.306 -5.019 1.00 50.20 O ATOM 907 CB PRO A 60 -6.496 -6.938 -2.267 1.00 75.14 C ATOM 908 CG PRO A 60 -7.182 -8.241 -2.497 1.00 5.01 C ATOM 909 CD PRO A 60 -8.641 -7.994 -2.231 1.00 22.00 C ATOM 0 HA PRO A 60 -7.462 -4.957 -2.123 1.00 11.05 H new ATOM 0 HB2 PRO A 60 -5.578 -6.865 -2.851 1.00 75.14 H new ATOM 0 HB3 PRO A 60 -6.218 -6.816 -1.220 1.00 75.14 H new ATOM 0 HG2 PRO A 60 -7.025 -8.590 -3.518 1.00 5.01 H new ATOM 0 HG3 PRO A 60 -6.789 -9.011 -1.833 1.00 5.01 H new ATOM 0 HD2 PRO A 60 -9.275 -8.610 -2.868 1.00 22.00 H new ATOM 0 HD3 PRO A 60 -8.906 -8.224 -1.199 1.00 22.00 H new ATOM 917 N GLN A 61 -7.279 -4.156 -4.386 1.00 54.55 N ATOM 918 CA GLN A 61 -7.058 -3.626 -5.727 1.00 24.21 C ATOM 919 C GLN A 61 -5.777 -2.799 -5.781 1.00 34.14 C ATOM 920 O GLN A 61 -5.252 -2.383 -4.749 1.00 13.34 O ATOM 921 CB GLN A 61 -8.249 -2.773 -6.165 1.00 11.33 C ATOM 922 CG GLN A 61 -8.538 -2.850 -7.655 1.00 44.52 C ATOM 923 CD GLN A 61 -9.674 -1.939 -8.077 1.00 43.05 C ATOM 924 OE1 GLN A 61 -10.590 -2.358 -8.785 1.00 52.11 O ATOM 925 NE2 GLN A 61 -9.620 -0.685 -7.644 1.00 41.14 N ATOM 0 H GLN A 61 -7.436 -3.445 -3.672 1.00 54.55 H new ATOM 0 HA GLN A 61 -6.954 -4.469 -6.410 1.00 24.21 H new ATOM 0 HB2 GLN A 61 -9.135 -3.091 -5.615 1.00 11.33 H new ATOM 0 HB3 GLN A 61 -8.061 -1.734 -5.893 1.00 11.33 H new ATOM 0 HG2 GLN A 61 -7.638 -2.584 -8.210 1.00 44.52 H new ATOM 0 HG3 GLN A 61 -8.784 -3.878 -7.921 1.00 44.52 H new ATOM 0 HE21 GLN A 61 -8.842 -0.381 -7.059 1.00 41.14 H new ATOM 0 HE22 GLN A 61 -10.357 -0.026 -7.896 1.00 41.14 H new ATOM 934 N ALA A 62 -5.280 -2.565 -6.991 1.00 31.43 N ATOM 935 CA ALA A 62 -4.062 -1.787 -7.179 1.00 14.31 C ATOM 936 C ALA A 62 -4.373 -0.297 -7.274 1.00 3.34 C ATOM 937 O ALA A 62 -4.056 0.352 -8.271 1.00 1.12 O ATOM 938 CB ALA A 62 -3.324 -2.254 -8.424 1.00 72.34 C ATOM 0 H ALA A 62 -5.702 -2.903 -7.856 1.00 31.43 H new ATOM 0 HA ALA A 62 -3.422 -1.944 -6.311 1.00 14.31 H new ATOM 0 HB1 ALA A 62 -2.416 -1.664 -8.552 1.00 72.34 H new ATOM 0 HB2 ALA A 62 -3.061 -3.306 -8.318 1.00 72.34 H new ATOM 0 HB3 ALA A 62 -3.965 -2.127 -9.296 1.00 72.34 H new ATOM 944 N LYS A 63 -4.995 0.241 -6.230 1.00 20.22 N ATOM 945 CA LYS A 63 -5.348 1.655 -6.194 1.00 73.11 C ATOM 946 C LYS A 63 -4.195 2.517 -6.697 1.00 24.13 C ATOM 947 O LYS A 63 -4.403 3.495 -7.415 1.00 35.02 O ATOM 948 CB LYS A 63 -5.728 2.071 -4.771 1.00 45.21 C ATOM 949 CG LYS A 63 -6.878 3.062 -4.713 1.00 64.42 C ATOM 950 CD LYS A 63 -6.608 4.280 -5.580 1.00 53.21 C ATOM 951 CE LYS A 63 -7.256 4.144 -6.950 1.00 0.04 C ATOM 952 NZ LYS A 63 -8.382 5.103 -7.129 1.00 25.54 N ATOM 0 H LYS A 63 -5.265 -0.282 -5.397 1.00 20.22 H new ATOM 0 HA LYS A 63 -6.204 1.807 -6.851 1.00 73.11 H new ATOM 0 HB2 LYS A 63 -5.997 1.182 -4.201 1.00 45.21 H new ATOM 0 HB3 LYS A 63 -4.857 2.510 -4.285 1.00 45.21 H new ATOM 0 HG2 LYS A 63 -7.796 2.575 -5.043 1.00 64.42 H new ATOM 0 HG3 LYS A 63 -7.037 3.376 -3.682 1.00 64.42 H new ATOM 0 HD2 LYS A 63 -6.988 5.173 -5.084 1.00 53.21 H new ATOM 0 HD3 LYS A 63 -5.533 4.414 -5.697 1.00 53.21 H new ATOM 0 HE2 LYS A 63 -6.508 4.314 -7.724 1.00 0.04 H new ATOM 0 HE3 LYS A 63 -7.622 3.126 -7.079 1.00 0.04 H new ATOM 0 HZ1 LYS A 63 -8.797 4.979 -8.075 1.00 25.54 H new ATOM 0 HZ2 LYS A 63 -9.108 4.925 -6.406 1.00 25.54 H new ATOM 0 HZ3 LYS A 63 -8.028 6.076 -7.031 1.00 25.54 H new ATOM 966 N LYS A 64 -2.976 2.147 -6.316 1.00 54.13 N ATOM 967 CA LYS A 64 -1.788 2.884 -6.730 1.00 53.22 C ATOM 968 C LYS A 64 -0.753 1.947 -7.344 1.00 53.25 C ATOM 969 O LYS A 64 0.044 1.335 -6.634 1.00 35.54 O ATOM 970 CB LYS A 64 -1.179 3.622 -5.536 1.00 22.11 C ATOM 971 CG LYS A 64 -0.793 5.059 -5.841 1.00 70.11 C ATOM 972 CD LYS A 64 -2.016 5.920 -6.109 1.00 71.22 C ATOM 973 CE LYS A 64 -2.916 6.006 -4.886 1.00 71.21 C ATOM 974 NZ LYS A 64 -2.170 6.457 -3.679 1.00 41.10 N ATOM 0 H LYS A 64 -2.786 1.341 -5.721 1.00 54.13 H new ATOM 0 HA LYS A 64 -2.087 3.611 -7.485 1.00 53.22 H new ATOM 0 HB2 LYS A 64 -1.893 3.613 -4.712 1.00 22.11 H new ATOM 0 HB3 LYS A 64 -0.295 3.081 -5.198 1.00 22.11 H new ATOM 0 HG2 LYS A 64 -0.233 5.472 -5.002 1.00 70.11 H new ATOM 0 HG3 LYS A 64 -0.133 5.083 -6.708 1.00 70.11 H new ATOM 0 HD2 LYS A 64 -1.700 6.922 -6.401 1.00 71.22 H new ATOM 0 HD3 LYS A 64 -2.577 5.506 -6.947 1.00 71.22 H new ATOM 0 HE2 LYS A 64 -3.735 6.697 -5.086 1.00 71.21 H new ATOM 0 HE3 LYS A 64 -3.362 5.030 -4.694 1.00 71.21 H new ATOM 0 HZ1 LYS A 64 -2.760 7.116 -3.132 1.00 41.10 H new ATOM 0 HZ2 LYS A 64 -1.933 5.634 -3.090 1.00 41.10 H new ATOM 0 HZ3 LYS A 64 -1.295 6.937 -3.971 1.00 41.10 H new ATOM 988 N VAL A 65 -0.770 1.841 -8.669 1.00 41.45 N ATOM 989 CA VAL A 65 0.169 0.981 -9.380 1.00 0.15 C ATOM 990 C VAL A 65 1.311 1.792 -9.981 1.00 2.43 C ATOM 991 O VAL A 65 1.108 2.907 -10.462 1.00 50.12 O ATOM 992 CB VAL A 65 -0.531 0.192 -10.501 1.00 72.53 C ATOM 993 CG1 VAL A 65 0.121 0.480 -11.845 1.00 11.11 C ATOM 994 CG2 VAL A 65 -0.508 -1.299 -10.198 1.00 14.15 C ATOM 0 H VAL A 65 -1.424 2.340 -9.272 1.00 41.45 H new ATOM 0 HA VAL A 65 0.571 0.280 -8.649 1.00 0.15 H new ATOM 0 HB VAL A 65 -1.571 0.514 -10.552 1.00 72.53 H new ATOM 0 HG11 VAL A 65 -0.387 -0.087 -12.625 1.00 11.11 H new ATOM 0 HG12 VAL A 65 0.048 1.545 -12.064 1.00 11.11 H new ATOM 0 HG13 VAL A 65 1.171 0.188 -11.810 1.00 11.11 H new ATOM 0 HG21 VAL A 65 -1.007 -1.841 -11.001 1.00 14.15 H new ATOM 0 HG22 VAL A 65 0.525 -1.638 -10.118 1.00 14.15 H new ATOM 0 HG23 VAL A 65 -1.025 -1.487 -9.257 1.00 14.15 H new ATOM 1004 N ARG A 66 2.513 1.225 -9.950 1.00 13.42 N ATOM 1005 CA ARG A 66 3.688 1.896 -10.491 1.00 44.43 C ATOM 1006 C ARG A 66 4.488 0.954 -11.386 1.00 40.34 C ATOM 1007 O ARG A 66 4.469 -0.262 -11.198 1.00 22.11 O ATOM 1008 CB ARG A 66 4.574 2.414 -9.357 1.00 25.34 C ATOM 1009 CG ARG A 66 3.799 3.094 -8.240 1.00 62.21 C ATOM 1010 CD ARG A 66 4.731 3.674 -7.188 1.00 43.20 C ATOM 1011 NE ARG A 66 4.003 4.406 -6.155 1.00 51.45 N ATOM 1012 CZ ARG A 66 3.500 5.623 -6.334 1.00 32.14 C ATOM 1013 NH1 ARG A 66 3.645 6.240 -7.498 1.00 41.00 N ATOM 1014 NH2 ARG A 66 2.849 6.224 -5.346 1.00 3.32 N ATOM 0 H ARG A 66 2.698 0.303 -9.556 1.00 13.42 H new ATOM 0 HA ARG A 66 3.349 2.740 -11.092 1.00 44.43 H new ATOM 0 HB2 ARG A 66 5.140 1.581 -8.940 1.00 25.34 H new ATOM 0 HB3 ARG A 66 5.298 3.118 -9.766 1.00 25.34 H new ATOM 0 HG2 ARG A 66 3.180 3.888 -8.657 1.00 62.21 H new ATOM 0 HG3 ARG A 66 3.125 2.376 -7.774 1.00 62.21 H new ATOM 0 HD2 ARG A 66 5.303 2.869 -6.727 1.00 43.20 H new ATOM 0 HD3 ARG A 66 5.448 4.340 -7.667 1.00 43.20 H new ATOM 0 HE ARG A 66 3.874 3.959 -5.247 1.00 51.45 H new ATOM 0 HH11 ARG A 66 4.144 5.781 -8.260 1.00 41.00 H new ATOM 0 HH12 ARG A 66 3.258 7.174 -7.632 1.00 41.00 H new ATOM 0 HH21 ARG A 66 2.735 5.752 -4.449 1.00 3.32 H new ATOM 0 HH22 ARG A 66 2.463 7.158 -5.484 1.00 3.32 H new ATOM 1028 N ARG A 67 5.189 1.525 -12.361 1.00 0.03 N ATOM 1029 CA ARG A 67 5.994 0.736 -13.286 1.00 14.30 C ATOM 1030 C ARG A 67 7.415 0.562 -12.758 1.00 52.24 C ATOM 1031 O ARG A 67 8.043 1.522 -12.311 1.00 43.25 O ATOM 1032 CB ARG A 67 6.027 1.403 -14.662 1.00 43.33 C ATOM 1033 CG ARG A 67 6.826 2.696 -14.693 1.00 52.31 C ATOM 1034 CD ARG A 67 8.232 2.470 -15.225 1.00 25.35 C ATOM 1035 NE ARG A 67 8.308 2.656 -16.671 1.00 52.40 N ATOM 1036 CZ ARG A 67 9.329 2.243 -17.413 1.00 70.02 C ATOM 1037 NH1 ARG A 67 10.355 1.623 -16.848 1.00 23.52 N ATOM 1038 NH2 ARG A 67 9.325 2.450 -18.724 1.00 33.41 N ATOM 0 H ARG A 67 5.216 2.530 -12.530 1.00 0.03 H new ATOM 0 HA ARG A 67 5.537 -0.249 -13.378 1.00 14.30 H new ATOM 0 HB2 ARG A 67 6.452 0.706 -15.384 1.00 43.33 H new ATOM 0 HB3 ARG A 67 5.005 1.609 -14.981 1.00 43.33 H new ATOM 0 HG2 ARG A 67 6.313 3.427 -15.318 1.00 52.31 H new ATOM 0 HG3 ARG A 67 6.879 3.116 -13.689 1.00 52.31 H new ATOM 0 HD2 ARG A 67 8.920 3.159 -14.735 1.00 25.35 H new ATOM 0 HD3 ARG A 67 8.557 1.461 -14.972 1.00 25.35 H new ATOM 0 HE ARG A 67 7.534 3.129 -17.137 1.00 52.40 H new ATOM 0 HH11 ARG A 67 10.362 1.462 -15.841 1.00 23.52 H new ATOM 0 HH12 ARG A 67 11.138 1.307 -17.420 1.00 23.52 H new ATOM 0 HH21 ARG A 67 8.537 2.927 -19.163 1.00 33.41 H new ATOM 0 HH22 ARG A 67 10.110 2.132 -19.293 1.00 33.41 H new ATOM 1052 N ILE A 68 7.914 -0.668 -12.813 1.00 40.11 N ATOM 1053 CA ILE A 68 9.260 -0.967 -12.341 1.00 44.04 C ATOM 1054 C ILE A 68 9.949 -1.979 -13.251 1.00 3.22 C ATOM 1055 O ILE A 68 9.931 -3.181 -12.986 1.00 53.03 O ATOM 1056 CB ILE A 68 9.244 -1.515 -10.902 1.00 50.12 C ATOM 1057 CG1 ILE A 68 8.302 -0.685 -10.028 1.00 11.31 C ATOM 1058 CG2 ILE A 68 10.650 -1.518 -10.321 1.00 32.34 C ATOM 1059 CD1 ILE A 68 8.693 -0.666 -8.567 1.00 4.51 C ATOM 0 H ILE A 68 7.407 -1.473 -13.180 1.00 40.11 H new ATOM 0 HA ILE A 68 9.816 -0.029 -12.357 1.00 44.04 H new ATOM 0 HB ILE A 68 8.879 -2.542 -10.923 1.00 50.12 H new ATOM 0 HG12 ILE A 68 8.279 0.338 -10.403 1.00 11.31 H new ATOM 0 HG13 ILE A 68 7.291 -1.081 -10.120 1.00 11.31 H new ATOM 0 HG21 ILE A 68 10.622 -1.908 -9.304 1.00 32.34 H new ATOM 0 HG22 ILE A 68 11.295 -2.148 -10.934 1.00 32.34 H new ATOM 0 HG23 ILE A 68 11.041 -0.501 -10.309 1.00 32.34 H new ATOM 0 HD11 ILE A 68 7.981 -0.059 -8.008 1.00 4.51 H new ATOM 0 HD12 ILE A 68 8.688 -1.683 -8.176 1.00 4.51 H new ATOM 0 HD13 ILE A 68 9.692 -0.242 -8.463 1.00 4.51 H new