USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=8 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 Set 1.1: A 29 HIS : no HD1:sc= -0.769 K(o=-4,f=-9.7!) USER MOD Set 1.2: A 61 GLN : amide:sc= -3.27 K(o=-4,f=-7.8!) 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= 0.0396 USER MOD Single : A 7 LYS NZ :NH3+ -115:sc= 0.875 (180deg=-0.995) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.1,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 :FLIP amide:sc= -4.04! F(o=-5.1,f=-4!) USER MOD Single : A 20 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 46 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= -0.211 (180deg=-0.827) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= 0.684 (180deg=-0.0688) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.469 -2.402 -2.185 1.00 14.14 N ATOM 19 CA LYS A 2 3.219 -3.621 -2.460 1.00 64.02 C ATOM 20 C LYS A 2 3.858 -3.566 -3.844 1.00 53.34 C ATOM 21 O LYS A 2 3.291 -2.999 -4.779 1.00 32.01 O ATOM 22 CB LYS A 2 2.303 -4.843 -2.358 1.00 4.33 C ATOM 23 CG LYS A 2 1.600 -4.965 -1.017 1.00 54.53 C ATOM 24 CD LYS A 2 2.591 -4.984 0.134 1.00 65.34 C ATOM 25 CE LYS A 2 2.030 -5.721 1.340 1.00 3.34 C ATOM 26 NZ LYS A 2 2.846 -5.483 2.564 1.00 54.23 N ATOM 0 HA LYS A 2 4.011 -3.706 -1.716 1.00 64.02 H new ATOM 0 HB2 LYS A 2 1.554 -4.792 -3.148 1.00 4.33 H new ATOM 0 HB3 LYS A 2 2.891 -5.744 -2.534 1.00 4.33 H new ATOM 0 HG2 LYS A 2 0.910 -4.131 -0.890 1.00 54.53 H new ATOM 0 HG3 LYS A 2 1.004 -5.877 -1.000 1.00 54.53 H new ATOM 0 HD2 LYS A 2 3.516 -5.463 -0.188 1.00 65.34 H new ATOM 0 HD3 LYS A 2 2.843 -3.962 0.416 1.00 65.34 H new ATOM 0 HE2 LYS A 2 1.004 -5.398 1.519 1.00 3.34 H new ATOM 0 HE3 LYS A 2 1.995 -6.790 1.129 1.00 3.34 H new ATOM 0 HZ1 LYS A 2 2.431 -6.002 3.364 1.00 54.23 H new ATOM 0 HZ2 LYS A 2 3.818 -5.815 2.403 1.00 54.23 H new ATOM 0 HZ3 LYS A 2 2.858 -4.466 2.781 1.00 54.23 H new ATOM 40 N LYS A 3 5.040 -4.159 -3.970 1.00 1.22 N ATOM 41 CA LYS A 3 5.755 -4.180 -5.240 1.00 61.03 C ATOM 42 C LYS A 3 6.083 -5.610 -5.656 1.00 63.41 C ATOM 43 O LYS A 3 6.644 -6.380 -4.877 1.00 61.34 O ATOM 44 CB LYS A 3 7.043 -3.359 -5.138 1.00 74.13 C ATOM 45 CG LYS A 3 6.818 -1.930 -4.675 1.00 73.21 C ATOM 46 CD LYS A 3 8.090 -1.320 -4.112 1.00 1.22 C ATOM 47 CE LYS A 3 8.228 0.143 -4.504 1.00 54.31 C ATOM 48 NZ LYS A 3 9.654 0.554 -4.623 1.00 60.15 N ATOM 0 H LYS A 3 5.524 -4.632 -3.207 1.00 1.22 H new ATOM 0 HA LYS A 3 5.109 -3.738 -5.999 1.00 61.03 H new ATOM 0 HB2 LYS A 3 7.725 -3.853 -4.446 1.00 74.13 H new ATOM 0 HB3 LYS A 3 7.532 -3.344 -6.112 1.00 74.13 H new ATOM 0 HG2 LYS A 3 6.463 -1.327 -5.511 1.00 73.21 H new ATOM 0 HG3 LYS A 3 6.037 -1.911 -3.915 1.00 73.21 H new ATOM 0 HD2 LYS A 3 8.087 -1.408 -3.026 1.00 1.22 H new ATOM 0 HD3 LYS A 3 8.954 -1.878 -4.474 1.00 1.22 H new ATOM 0 HE2 LYS A 3 7.721 0.314 -5.453 1.00 54.31 H new ATOM 0 HE3 LYS A 3 7.731 0.766 -3.760 1.00 54.31 H new ATOM 0 HZ1 LYS A 3 9.705 1.557 -4.892 1.00 60.15 H new ATOM 0 HZ2 LYS A 3 10.133 0.415 -3.710 1.00 60.15 H new ATOM 0 HZ3 LYS A 3 10.122 -0.023 -5.351 1.00 60.15 H new ATOM 62 N GLY A 4 5.731 -5.959 -6.890 1.00 20.21 N ATOM 63 CA GLY A 4 5.998 -7.296 -7.388 1.00 33.04 C ATOM 64 C GLY A 4 5.862 -7.391 -8.894 1.00 64.44 C ATOM 65 O GLY A 4 5.437 -6.439 -9.549 1.00 60.13 O ATOM 0 H GLY A 4 5.266 -5.340 -7.554 1.00 20.21 H new ATOM 0 HA2 GLY A 4 7.005 -7.594 -7.098 1.00 33.04 H new ATOM 0 HA3 GLY A 4 5.310 -7.999 -6.919 1.00 33.04 H new ATOM 69 N THR A 5 6.227 -8.544 -9.448 1.00 54.01 N ATOM 70 CA THR A 5 6.147 -8.760 -10.887 1.00 53.52 C ATOM 71 C THR A 5 4.702 -8.949 -11.335 1.00 60.23 C ATOM 72 O THR A 5 3.839 -9.323 -10.541 1.00 11.31 O ATOM 73 CB THR A 5 6.971 -9.987 -11.318 1.00 62.11 C ATOM 74 OG1 THR A 5 6.854 -11.025 -10.338 1.00 52.42 O ATOM 75 CG2 THR A 5 8.436 -9.618 -11.501 1.00 32.45 C ATOM 0 H THR A 5 6.581 -9.342 -8.921 1.00 54.01 H new ATOM 0 HA THR A 5 6.559 -7.870 -11.363 1.00 53.52 H new ATOM 0 HB THR A 5 6.580 -10.343 -12.271 1.00 62.11 H new ATOM 0 HG1 THR A 5 7.380 -11.802 -10.621 1.00 52.42 H new ATOM 0 HG21 THR A 5 8.998 -10.501 -11.805 1.00 32.45 H new ATOM 0 HG22 THR A 5 8.524 -8.849 -12.268 1.00 32.45 H new ATOM 0 HG23 THR A 5 8.836 -9.240 -10.560 1.00 32.45 H new ATOM 83 N VAL A 6 4.445 -8.690 -12.613 1.00 72.15 N ATOM 84 CA VAL A 6 3.104 -8.834 -13.168 1.00 21.30 C ATOM 85 C VAL A 6 2.929 -10.193 -13.837 1.00 44.25 C ATOM 86 O VAL A 6 3.744 -10.598 -14.668 1.00 15.15 O ATOM 87 CB VAL A 6 2.799 -7.726 -14.193 1.00 75.00 C ATOM 88 CG1 VAL A 6 3.690 -7.870 -15.417 1.00 74.33 C ATOM 89 CG2 VAL A 6 1.329 -7.755 -14.586 1.00 63.14 C ATOM 0 H VAL A 6 5.148 -8.379 -13.284 1.00 72.15 H new ATOM 0 HA VAL A 6 2.406 -8.750 -12.335 1.00 21.30 H new ATOM 0 HB VAL A 6 3.010 -6.761 -13.733 1.00 75.00 H new ATOM 0 HG11 VAL A 6 3.460 -7.078 -16.130 1.00 74.33 H new ATOM 0 HG12 VAL A 6 4.735 -7.795 -15.117 1.00 74.33 H new ATOM 0 HG13 VAL A 6 3.515 -8.840 -15.883 1.00 74.33 H new ATOM 0 HG21 VAL A 6 1.131 -6.966 -15.311 1.00 63.14 H new ATOM 0 HG22 VAL A 6 1.090 -8.722 -15.028 1.00 63.14 H new ATOM 0 HG23 VAL A 6 0.713 -7.598 -13.701 1.00 63.14 H new ATOM 99 N LYS A 7 1.861 -10.893 -13.472 1.00 24.43 N ATOM 100 CA LYS A 7 1.577 -12.207 -14.037 1.00 52.23 C ATOM 101 C LYS A 7 1.058 -12.083 -15.466 1.00 43.05 C ATOM 102 O LYS A 7 1.372 -12.909 -16.324 1.00 14.21 O ATOM 103 CB LYS A 7 0.552 -12.946 -13.174 1.00 12.41 C ATOM 104 CG LYS A 7 0.742 -14.452 -13.159 1.00 25.43 C ATOM 105 CD LYS A 7 0.408 -15.043 -11.799 1.00 74.24 C ATOM 106 CE LYS A 7 -1.060 -14.845 -11.452 1.00 21.41 C ATOM 107 NZ LYS A 7 -1.816 -16.128 -11.485 1.00 64.13 N ATOM 0 H LYS A 7 1.177 -10.572 -12.787 1.00 24.43 H new ATOM 0 HA LYS A 7 2.506 -12.776 -14.054 1.00 52.23 H new ATOM 0 HB2 LYS A 7 0.612 -12.571 -12.152 1.00 12.41 H new ATOM 0 HB3 LYS A 7 -0.449 -12.718 -13.539 1.00 12.41 H new ATOM 0 HG2 LYS A 7 0.108 -14.907 -13.920 1.00 25.43 H new ATOM 0 HG3 LYS A 7 1.773 -14.692 -13.418 1.00 25.43 H new ATOM 0 HD2 LYS A 7 0.644 -16.107 -11.795 1.00 74.24 H new ATOM 0 HD3 LYS A 7 1.030 -14.576 -11.035 1.00 74.24 H new ATOM 0 HE2 LYS A 7 -1.142 -14.401 -10.460 1.00 21.41 H new ATOM 0 HE3 LYS A 7 -1.507 -14.142 -12.154 1.00 21.41 H new ATOM 0 HZ1 LYS A 7 -2.524 -16.094 -12.246 1.00 64.13 H new ATOM 0 HZ2 LYS A 7 -1.158 -16.914 -11.659 1.00 64.13 H new ATOM 0 HZ3 LYS A 7 -2.295 -16.272 -10.573 1.00 64.13 H new ATOM 121 N TRP A 8 0.266 -11.047 -15.715 1.00 51.25 N ATOM 122 CA TRP A 8 -0.294 -10.815 -17.042 1.00 15.30 C ATOM 123 C TRP A 8 -1.073 -9.505 -17.082 1.00 53.43 C ATOM 124 O TRP A 8 -1.677 -9.099 -16.089 1.00 34.51 O ATOM 125 CB TRP A 8 -1.205 -11.976 -17.444 1.00 21.32 C ATOM 126 CG TRP A 8 -2.423 -12.102 -16.580 1.00 75.02 C ATOM 127 CD1 TRP A 8 -3.483 -11.242 -16.527 1.00 42.33 C ATOM 128 CD2 TRP A 8 -2.707 -13.148 -15.645 1.00 23.41 C ATOM 129 NE1 TRP A 8 -4.408 -11.690 -15.615 1.00 65.22 N ATOM 130 CE2 TRP A 8 -3.955 -12.858 -15.061 1.00 74.40 C ATOM 131 CE3 TRP A 8 -2.028 -14.303 -15.245 1.00 53.14 C ATOM 132 CZ2 TRP A 8 -4.536 -13.681 -14.099 1.00 51.04 C ATOM 133 CZ3 TRP A 8 -2.606 -15.118 -14.291 1.00 22.04 C ATOM 134 CH2 TRP A 8 -3.850 -14.805 -13.727 1.00 3.32 C ATOM 0 H TRP A 8 -0.003 -10.354 -15.016 1.00 51.25 H new ATOM 0 HA TRP A 8 0.531 -10.748 -17.751 1.00 15.30 H new ATOM 0 HB2 TRP A 8 -1.516 -11.843 -18.480 1.00 21.32 H new ATOM 0 HB3 TRP A 8 -0.638 -12.906 -17.398 1.00 21.32 H new ATOM 0 HD1 TRP A 8 -3.580 -10.342 -17.116 1.00 42.33 H new ATOM 0 HE1 TRP A 8 -5.289 -11.228 -15.388 1.00 65.22 H new ATOM 0 HE3 TRP A 8 -1.069 -14.553 -15.674 1.00 53.14 H new ATOM 0 HZ2 TRP A 8 -5.494 -13.440 -13.662 1.00 51.04 H new ATOM 0 HZ3 TRP A 8 -2.090 -16.012 -13.974 1.00 22.04 H new ATOM 0 HH2 TRP A 8 -4.276 -15.464 -12.984 1.00 3.32 H new ATOM 145 N PHE A 9 -1.056 -8.846 -18.236 1.00 63.04 N ATOM 146 CA PHE A 9 -1.760 -7.580 -18.405 1.00 73.52 C ATOM 147 C PHE A 9 -2.783 -7.674 -19.534 1.00 1.31 C ATOM 148 O PHE A 9 -2.438 -7.559 -20.709 1.00 51.31 O ATOM 149 CB PHE A 9 -0.766 -6.454 -18.694 1.00 53.33 C ATOM 150 CG PHE A 9 -1.316 -5.084 -18.418 1.00 14.40 C ATOM 151 CD1 PHE A 9 -1.904 -4.792 -17.198 1.00 1.44 C ATOM 152 CD2 PHE A 9 -1.247 -4.088 -19.379 1.00 5.10 C ATOM 153 CE1 PHE A 9 -2.411 -3.532 -16.940 1.00 2.31 C ATOM 154 CE2 PHE A 9 -1.751 -2.826 -19.127 1.00 32.21 C ATOM 155 CZ PHE A 9 -2.335 -2.548 -17.906 1.00 72.14 C ATOM 0 H PHE A 9 -0.562 -9.168 -19.068 1.00 63.04 H new ATOM 0 HA PHE A 9 -2.288 -7.359 -17.477 1.00 73.52 H new ATOM 0 HB2 PHE A 9 0.129 -6.606 -18.090 1.00 53.33 H new ATOM 0 HB3 PHE A 9 -0.459 -6.510 -19.738 1.00 53.33 H new ATOM 0 HD1 PHE A 9 -1.967 -5.558 -16.439 1.00 1.44 H new ATOM 0 HD2 PHE A 9 -0.794 -4.300 -20.336 1.00 5.10 H new ATOM 0 HE1 PHE A 9 -2.866 -3.317 -15.984 1.00 2.31 H new ATOM 0 HE2 PHE A 9 -1.688 -2.058 -19.884 1.00 32.21 H new ATOM 0 HZ PHE A 9 -2.731 -1.563 -17.707 1.00 72.14 H new ATOM 165 N ASN A 10 -4.043 -7.884 -19.167 1.00 1.22 N ATOM 166 CA ASN A 10 -5.117 -7.994 -20.148 1.00 4.13 C ATOM 167 C ASN A 10 -5.499 -6.621 -20.692 1.00 40.01 C ATOM 168 O ASN A 10 -6.422 -5.979 -20.192 1.00 4.43 O ATOM 169 CB ASN A 10 -6.340 -8.666 -19.522 1.00 14.33 C ATOM 170 CG ASN A 10 -7.143 -9.463 -20.532 1.00 43.43 C ATOM 171 OD1 ASN A 10 -8.206 -8.860 -21.051 1.00 50.33 O flip ATOM 172 ND2 ASN A 10 -6.810 -10.607 -20.842 1.00 43.45 N flip ATOM 0 H ASN A 10 -4.346 -7.981 -18.198 1.00 1.22 H new ATOM 0 HA ASN A 10 -4.759 -8.606 -20.976 1.00 4.13 H new ATOM 0 HB2 ASN A 10 -6.016 -9.326 -18.717 1.00 14.33 H new ATOM 0 HB3 ASN A 10 -6.979 -7.906 -19.073 1.00 14.33 H new ATOM 0 HD21 ASN A 10 -5.985 -11.031 -20.417 1.00 43.45 H new ATOM 0 HD22 ASN A 10 -7.359 -11.131 -21.523 1.00 43.45 H new ATOM 179 N ALA A 11 -4.783 -6.178 -21.721 1.00 33.14 N ATOM 180 CA ALA A 11 -5.049 -4.883 -22.335 1.00 20.21 C ATOM 181 C ALA A 11 -6.364 -4.901 -23.106 1.00 74.02 C ATOM 182 O ALA A 11 -6.986 -3.860 -23.314 1.00 11.31 O ATOM 183 CB ALA A 11 -3.902 -4.489 -23.253 1.00 63.54 C ATOM 0 H ALA A 11 -4.015 -6.697 -22.146 1.00 33.14 H new ATOM 0 HA ALA A 11 -5.134 -4.142 -21.540 1.00 20.21 H new ATOM 0 HB1 ALA A 11 -4.114 -3.520 -23.705 1.00 63.54 H new ATOM 0 HB2 ALA A 11 -2.979 -4.426 -22.676 1.00 63.54 H new ATOM 0 HB3 ALA A 11 -3.790 -5.238 -24.037 1.00 63.54 H new ATOM 189 N GLU A 12 -6.781 -6.091 -23.528 1.00 55.45 N ATOM 190 CA GLU A 12 -8.023 -6.242 -24.278 1.00 42.04 C ATOM 191 C GLU A 12 -9.214 -5.746 -23.464 1.00 74.21 C ATOM 192 O GLU A 12 -10.183 -5.223 -24.015 1.00 12.01 O ATOM 193 CB GLU A 12 -8.233 -7.706 -24.670 1.00 64.12 C ATOM 194 CG GLU A 12 -7.427 -8.132 -25.886 1.00 24.54 C ATOM 195 CD GLU A 12 -5.969 -8.392 -25.558 1.00 10.55 C ATOM 196 OE1 GLU A 12 -5.691 -9.360 -24.820 1.00 22.30 O ATOM 197 OE2 GLU A 12 -5.107 -7.626 -26.037 1.00 71.25 O ATOM 0 H GLU A 12 -6.278 -6.963 -23.364 1.00 55.45 H new ATOM 0 HA GLU A 12 -7.947 -5.638 -25.182 1.00 42.04 H new ATOM 0 HB2 GLU A 12 -7.965 -8.341 -23.826 1.00 64.12 H new ATOM 0 HB3 GLU A 12 -9.292 -7.872 -24.870 1.00 64.12 H new ATOM 0 HG2 GLU A 12 -7.867 -9.035 -26.311 1.00 24.54 H new ATOM 0 HG3 GLU A 12 -7.491 -7.357 -26.650 1.00 24.54 H new ATOM 204 N LYS A 13 -9.136 -5.915 -22.149 1.00 23.35 N ATOM 205 CA LYS A 13 -10.206 -5.485 -21.256 1.00 64.50 C ATOM 206 C LYS A 13 -9.778 -4.270 -20.440 1.00 22.03 C ATOM 207 O LYS A 13 -10.603 -3.433 -20.076 1.00 44.34 O ATOM 208 CB LYS A 13 -10.606 -6.627 -20.319 1.00 24.30 C ATOM 209 CG LYS A 13 -11.151 -7.846 -21.043 1.00 51.13 C ATOM 210 CD LYS A 13 -12.599 -7.646 -21.460 1.00 3.54 C ATOM 211 CE LYS A 13 -12.969 -8.538 -22.634 1.00 55.01 C ATOM 212 NZ LYS A 13 -14.440 -8.755 -22.723 1.00 51.34 N ATOM 0 H LYS A 13 -8.342 -6.347 -21.677 1.00 23.35 H new ATOM 0 HA LYS A 13 -11.065 -5.206 -21.866 1.00 64.50 H new ATOM 0 HB2 LYS A 13 -9.738 -6.923 -19.730 1.00 24.30 H new ATOM 0 HB3 LYS A 13 -11.358 -6.264 -19.619 1.00 24.30 H new ATOM 0 HG2 LYS A 13 -10.542 -8.049 -21.924 1.00 51.13 H new ATOM 0 HG3 LYS A 13 -11.075 -8.719 -20.395 1.00 51.13 H new ATOM 0 HD2 LYS A 13 -13.255 -7.862 -20.617 1.00 3.54 H new ATOM 0 HD3 LYS A 13 -12.760 -6.602 -21.730 1.00 3.54 H new ATOM 0 HE2 LYS A 13 -12.612 -8.087 -23.560 1.00 55.01 H new ATOM 0 HE3 LYS A 13 -12.465 -9.499 -22.533 1.00 55.01 H new ATOM 0 HZ1 LYS A 13 -14.652 -9.368 -23.536 1.00 51.34 H new ATOM 0 HZ2 LYS A 13 -14.777 -9.209 -21.850 1.00 51.34 H new ATOM 0 HZ3 LYS A 13 -14.919 -7.840 -22.845 1.00 51.34 H new ATOM 226 N GLY A 14 -8.482 -4.179 -20.156 1.00 21.52 N ATOM 227 CA GLY A 14 -7.968 -3.062 -19.386 1.00 24.23 C ATOM 228 C GLY A 14 -7.698 -3.430 -17.940 1.00 51.30 C ATOM 229 O GLY A 14 -7.742 -2.574 -17.056 1.00 44.41 O ATOM 0 H GLY A 14 -7.779 -4.859 -20.446 1.00 21.52 H new ATOM 0 HA2 GLY A 14 -7.047 -2.702 -19.844 1.00 24.23 H new ATOM 0 HA3 GLY A 14 -8.684 -2.241 -19.421 1.00 24.23 H new ATOM 233 N TYR A 15 -7.421 -4.706 -17.698 1.00 4.23 N ATOM 234 CA TYR A 15 -7.147 -5.186 -16.348 1.00 52.32 C ATOM 235 C TYR A 15 -5.818 -5.932 -16.294 1.00 61.33 C ATOM 236 O TYR A 15 -5.138 -6.087 -17.308 1.00 0.21 O ATOM 237 CB TYR A 15 -8.277 -6.099 -15.870 1.00 55.23 C ATOM 238 CG TYR A 15 -9.656 -5.601 -16.241 1.00 11.42 C ATOM 239 CD1 TYR A 15 -10.003 -4.266 -16.071 1.00 31.01 C ATOM 240 CD2 TYR A 15 -10.612 -6.465 -16.762 1.00 4.43 C ATOM 241 CE1 TYR A 15 -11.262 -3.807 -16.407 1.00 42.13 C ATOM 242 CE2 TYR A 15 -11.872 -6.014 -17.102 1.00 53.13 C ATOM 243 CZ TYR A 15 -12.193 -4.684 -16.923 1.00 23.42 C ATOM 244 OH TYR A 15 -13.447 -4.231 -17.260 1.00 52.44 O ATOM 0 H TYR A 15 -7.380 -5.427 -18.418 1.00 4.23 H new ATOM 0 HA TYR A 15 -7.084 -4.321 -15.688 1.00 52.32 H new ATOM 0 HB2 TYR A 15 -8.133 -7.093 -16.293 1.00 55.23 H new ATOM 0 HB3 TYR A 15 -8.216 -6.202 -14.787 1.00 55.23 H new ATOM 0 HD1 TYR A 15 -9.276 -3.576 -15.669 1.00 31.01 H new ATOM 0 HD2 TYR A 15 -10.365 -7.507 -16.903 1.00 4.43 H new ATOM 0 HE1 TYR A 15 -11.516 -2.767 -16.266 1.00 42.13 H new ATOM 0 HE2 TYR A 15 -12.603 -6.699 -17.506 1.00 53.13 H new ATOM 0 HH TYR A 15 -13.981 -4.975 -17.610 1.00 52.44 H new ATOM 254 N GLY A 16 -5.454 -6.395 -15.102 1.00 0.51 N ATOM 255 CA GLY A 16 -4.208 -7.120 -14.936 1.00 71.11 C ATOM 256 C GLY A 16 -4.081 -7.748 -13.562 1.00 50.32 C ATOM 257 O GLY A 16 -4.927 -7.534 -12.693 1.00 61.25 O ATOM 0 H GLY A 16 -6.000 -6.281 -14.248 1.00 0.51 H new ATOM 0 HA2 GLY A 16 -4.140 -7.899 -15.696 1.00 71.11 H new ATOM 0 HA3 GLY A 16 -3.371 -6.441 -15.100 1.00 71.11 H new ATOM 261 N PHE A 17 -3.022 -8.526 -13.365 1.00 0.35 N ATOM 262 CA PHE A 17 -2.788 -9.189 -12.087 1.00 14.10 C ATOM 263 C PHE A 17 -1.314 -9.121 -11.700 1.00 41.43 C ATOM 264 O PHE A 17 -0.439 -9.503 -12.478 1.00 32.11 O ATOM 265 CB PHE A 17 -3.242 -10.649 -12.156 1.00 12.45 C ATOM 266 CG PHE A 17 -4.726 -10.823 -11.997 1.00 64.22 C ATOM 267 CD1 PHE A 17 -5.594 -10.433 -13.004 1.00 63.13 C ATOM 268 CD2 PHE A 17 -5.252 -11.378 -10.842 1.00 1.12 C ATOM 269 CE1 PHE A 17 -6.959 -10.592 -12.861 1.00 11.03 C ATOM 270 CE2 PHE A 17 -6.617 -11.540 -10.693 1.00 5.32 C ATOM 271 CZ PHE A 17 -7.471 -11.147 -11.704 1.00 71.12 C ATOM 0 H PHE A 17 -2.312 -8.713 -14.073 1.00 0.35 H new ATOM 0 HA PHE A 17 -3.369 -8.670 -11.325 1.00 14.10 H new ATOM 0 HB2 PHE A 17 -2.935 -11.072 -13.113 1.00 12.45 H new ATOM 0 HB3 PHE A 17 -2.732 -11.217 -11.378 1.00 12.45 H new ATOM 0 HD1 PHE A 17 -5.199 -10.000 -13.911 1.00 63.13 H new ATOM 0 HD2 PHE A 17 -4.588 -11.688 -10.049 1.00 1.12 H new ATOM 0 HE1 PHE A 17 -7.625 -10.283 -13.653 1.00 11.03 H new ATOM 0 HE2 PHE A 17 -7.015 -11.973 -9.787 1.00 5.32 H new ATOM 0 HZ PHE A 17 -8.538 -11.273 -11.591 1.00 71.12 H new ATOM 281 N ILE A 18 -1.047 -8.630 -10.494 1.00 61.55 N ATOM 282 CA ILE A 18 0.321 -8.512 -10.004 1.00 73.32 C ATOM 283 C ILE A 18 0.578 -9.480 -8.854 1.00 12.21 C ATOM 284 O ILE A 18 -0.321 -9.775 -8.066 1.00 64.15 O ATOM 285 CB ILE A 18 0.628 -7.079 -9.533 1.00 12.33 C ATOM 286 CG1 ILE A 18 0.413 -6.085 -10.676 1.00 60.34 C ATOM 287 CG2 ILE A 18 2.052 -6.988 -9.006 1.00 21.14 C ATOM 288 CD1 ILE A 18 -0.016 -4.711 -10.211 1.00 21.40 C ATOM 0 H ILE A 18 -1.759 -8.308 -9.839 1.00 61.55 H new ATOM 0 HA ILE A 18 0.978 -8.760 -10.838 1.00 73.32 H new ATOM 0 HB ILE A 18 -0.056 -6.825 -8.723 1.00 12.33 H new ATOM 0 HG12 ILE A 18 1.338 -5.994 -11.246 1.00 60.34 H new ATOM 0 HG13 ILE A 18 -0.342 -6.482 -11.354 1.00 60.34 H new ATOM 0 HG21 ILE A 18 2.254 -5.969 -8.677 1.00 21.14 H new ATOM 0 HG22 ILE A 18 2.173 -7.671 -8.166 1.00 21.14 H new ATOM 0 HG23 ILE A 18 2.751 -7.259 -9.797 1.00 21.14 H new ATOM 0 HD11 ILE A 18 -0.149 -4.060 -11.075 1.00 21.40 H new ATOM 0 HD12 ILE A 18 -0.957 -4.789 -9.666 1.00 21.40 H new ATOM 0 HD13 ILE A 18 0.749 -4.293 -9.556 1.00 21.40 H new ATOM 300 N GLN A 19 1.811 -9.968 -8.763 1.00 74.20 N ATOM 301 CA GLN A 19 2.186 -10.902 -7.708 1.00 0.33 C ATOM 302 C GLN A 19 3.318 -10.335 -6.857 1.00 15.24 C ATOM 303 O GLN A 19 4.375 -9.977 -7.374 1.00 4.14 O ATOM 304 CB GLN A 19 2.608 -12.243 -8.310 1.00 50.25 C ATOM 305 CG GLN A 19 1.871 -12.592 -9.594 1.00 4.24 C ATOM 306 CD GLN A 19 0.378 -12.750 -9.385 1.00 22.33 C ATOM 307 OE1 GLN A 19 -0.407 -11.940 -10.085 1.00 11.23 O flip ATOM 308 NE2 GLN A 19 -0.065 -13.592 -8.603 1.00 10.24 N flip ATOM 0 H GLN A 19 2.567 -9.732 -9.406 1.00 74.20 H new ATOM 0 HA GLN A 19 1.317 -11.057 -7.069 1.00 0.33 H new ATOM 0 HB2 GLN A 19 3.679 -12.221 -8.510 1.00 50.25 H new ATOM 0 HB3 GLN A 19 2.437 -13.031 -7.577 1.00 50.25 H new ATOM 0 HG2 GLN A 19 2.050 -11.812 -10.335 1.00 4.24 H new ATOM 0 HG3 GLN A 19 2.277 -13.518 -10.001 1.00 4.24 H new ATOM 0 HE21 GLN A 19 0.575 -14.194 -8.085 1.00 10.24 H new ATOM 0 HE22 GLN A 19 -1.072 -13.687 -8.473 1.00 10.24 H new ATOM 317 N GLN A 20 3.086 -10.256 -5.550 1.00 63.02 N ATOM 318 CA GLN A 20 4.087 -9.731 -4.628 1.00 73.32 C ATOM 319 C GLN A 20 4.620 -10.833 -3.719 1.00 65.52 C ATOM 320 O GLN A 20 4.146 -11.968 -3.761 1.00 24.25 O ATOM 321 CB GLN A 20 3.491 -8.602 -3.785 1.00 64.21 C ATOM 322 CG GLN A 20 4.518 -7.580 -3.325 1.00 24.44 C ATOM 323 CD GLN A 20 4.572 -7.447 -1.816 1.00 4.45 C ATOM 324 OE1 GLN A 20 3.586 -7.697 -1.123 1.00 33.42 O ATOM 325 NE2 GLN A 20 5.729 -7.050 -1.297 1.00 53.41 N ATOM 0 H GLN A 20 2.215 -10.548 -5.106 1.00 63.02 H new ATOM 0 HA GLN A 20 4.916 -9.337 -5.216 1.00 73.32 H new ATOM 0 HB2 GLN A 20 2.720 -8.095 -4.365 1.00 64.21 H new ATOM 0 HB3 GLN A 20 3.001 -9.032 -2.911 1.00 64.21 H new ATOM 0 HG2 GLN A 20 5.502 -7.867 -3.696 1.00 24.44 H new ATOM 0 HG3 GLN A 20 4.282 -6.610 -3.763 1.00 24.44 H new ATOM 0 HE21 GLN A 20 6.521 -6.853 -1.908 1.00 53.41 H new ATOM 0 HE22 GLN A 20 5.825 -6.942 -0.287 1.00 53.41 H new ATOM 397 N VAL A 26 -3.379 -9.883 -7.285 1.00 41.41 N ATOM 398 CA VAL A 26 -4.102 -8.653 -6.981 1.00 62.44 C ATOM 399 C VAL A 26 -4.887 -8.164 -8.193 1.00 41.21 C ATOM 400 O VAL A 26 -4.507 -8.418 -9.336 1.00 40.44 O ATOM 401 CB VAL A 26 -3.144 -7.539 -6.519 1.00 55.22 C ATOM 402 CG1 VAL A 26 -2.737 -6.664 -7.694 1.00 43.44 C ATOM 403 CG2 VAL A 26 -3.788 -6.705 -5.421 1.00 72.53 C ATOM 0 HA VAL A 26 -4.795 -8.884 -6.172 1.00 62.44 H new ATOM 0 HB VAL A 26 -2.245 -8.002 -6.113 1.00 55.22 H new ATOM 0 HG11 VAL A 26 -2.060 -5.883 -7.348 1.00 43.44 H new ATOM 0 HG12 VAL A 26 -2.234 -7.274 -8.445 1.00 43.44 H new ATOM 0 HG13 VAL A 26 -3.624 -6.208 -8.132 1.00 43.44 H new ATOM 0 HG21 VAL A 26 -3.098 -5.923 -5.106 1.00 72.53 H new ATOM 0 HG22 VAL A 26 -4.704 -6.250 -5.799 1.00 72.53 H new ATOM 0 HG23 VAL A 26 -4.025 -7.344 -4.570 1.00 72.53 H new ATOM 413 N PHE A 27 -5.984 -7.460 -7.935 1.00 51.23 N ATOM 414 CA PHE A 27 -6.824 -6.934 -9.005 1.00 72.21 C ATOM 415 C PHE A 27 -6.376 -5.533 -9.410 1.00 64.13 C ATOM 416 O PHE A 27 -6.443 -4.594 -8.617 1.00 43.13 O ATOM 417 CB PHE A 27 -8.289 -6.905 -8.565 1.00 32.53 C ATOM 418 CG PHE A 27 -9.246 -7.338 -9.638 1.00 75.12 C ATOM 419 CD1 PHE A 27 -8.967 -8.439 -10.432 1.00 44.51 C ATOM 420 CD2 PHE A 27 -10.426 -6.644 -9.854 1.00 11.13 C ATOM 421 CE1 PHE A 27 -9.846 -8.840 -11.421 1.00 5.44 C ATOM 422 CE2 PHE A 27 -11.309 -7.040 -10.840 1.00 60.43 C ATOM 423 CZ PHE A 27 -11.018 -8.139 -11.626 1.00 2.25 C ATOM 0 H PHE A 27 -6.312 -7.240 -6.995 1.00 51.23 H new ATOM 0 HA PHE A 27 -6.724 -7.592 -9.868 1.00 72.21 H new ATOM 0 HB2 PHE A 27 -8.412 -7.552 -7.697 1.00 32.53 H new ATOM 0 HB3 PHE A 27 -8.545 -5.894 -8.248 1.00 32.53 H new ATOM 0 HD1 PHE A 27 -8.052 -8.991 -10.276 1.00 44.51 H new ATOM 0 HD2 PHE A 27 -10.658 -5.783 -9.244 1.00 11.13 H new ATOM 0 HE1 PHE A 27 -9.616 -9.700 -12.032 1.00 5.44 H new ATOM 0 HE2 PHE A 27 -12.226 -6.491 -10.996 1.00 60.43 H new ATOM 0 HZ PHE A 27 -11.706 -8.449 -12.399 1.00 2.25 H new ATOM 433 N VAL A 28 -5.917 -5.401 -10.651 1.00 12.40 N ATOM 434 CA VAL A 28 -5.458 -4.115 -11.163 1.00 63.20 C ATOM 435 C VAL A 28 -6.197 -3.737 -12.442 1.00 2.14 C ATOM 436 O VAL A 28 -6.584 -4.603 -13.227 1.00 51.20 O ATOM 437 CB VAL A 28 -3.943 -4.132 -11.444 1.00 54.13 C ATOM 438 CG1 VAL A 28 -3.201 -4.854 -10.330 1.00 72.12 C ATOM 439 CG2 VAL A 28 -3.659 -4.778 -12.792 1.00 33.33 C ATOM 0 H VAL A 28 -5.853 -6.168 -11.320 1.00 12.40 H new ATOM 0 HA VAL A 28 -5.669 -3.373 -10.393 1.00 63.20 H new ATOM 0 HB VAL A 28 -3.585 -3.103 -11.478 1.00 54.13 H new ATOM 0 HG11 VAL A 28 -2.133 -4.856 -10.546 1.00 72.12 H new ATOM 0 HG12 VAL A 28 -3.379 -4.343 -9.384 1.00 72.12 H new ATOM 0 HG13 VAL A 28 -3.559 -5.881 -10.261 1.00 72.12 H new ATOM 0 HG21 VAL A 28 -2.584 -4.782 -12.975 1.00 33.33 H new ATOM 0 HG22 VAL A 28 -4.030 -5.803 -12.790 1.00 33.33 H new ATOM 0 HG23 VAL A 28 -4.159 -4.213 -13.579 1.00 33.33 H new ATOM 449 N HIS A 29 -6.389 -2.437 -12.645 1.00 72.52 N ATOM 450 CA HIS A 29 -7.081 -1.944 -13.830 1.00 55.52 C ATOM 451 C HIS A 29 -6.343 -0.753 -14.434 1.00 42.01 C ATOM 452 O HIS A 29 -5.533 -0.109 -13.767 1.00 41.53 O ATOM 453 CB HIS A 29 -8.515 -1.545 -13.480 1.00 13.42 C ATOM 454 CG HIS A 29 -9.268 -2.606 -12.737 1.00 42.35 C ATOM 455 ND1 HIS A 29 -10.039 -2.343 -11.625 1.00 51.21 N ATOM 456 CD2 HIS A 29 -9.366 -3.938 -12.955 1.00 24.11 C ATOM 457 CE1 HIS A 29 -10.577 -3.468 -11.189 1.00 53.24 C ATOM 458 NE2 HIS A 29 -10.185 -4.451 -11.979 1.00 43.13 N ATOM 0 H HIS A 29 -6.075 -1.707 -12.005 1.00 72.52 H new ATOM 0 HA HIS A 29 -7.104 -2.747 -14.567 1.00 55.52 H new ATOM 0 HB2 HIS A 29 -8.494 -0.637 -12.878 1.00 13.42 H new ATOM 0 HB3 HIS A 29 -9.051 -1.306 -14.398 1.00 13.42 H new ATOM 0 HD2 HIS A 29 -8.889 -4.494 -13.749 1.00 24.11 H new ATOM 0 HE1 HIS A 29 -11.227 -3.567 -10.332 1.00 53.24 H new ATOM 0 HE2 HIS A 29 -10.448 -5.432 -11.880 1.00 43.13 H new ATOM 466 N PHE A 30 -6.627 -0.467 -15.700 1.00 41.04 N ATOM 467 CA PHE A 30 -5.988 0.645 -16.395 1.00 33.11 C ATOM 468 C PHE A 30 -6.295 1.968 -15.700 1.00 3.31 C ATOM 469 O PHE A 30 -5.565 2.948 -15.854 1.00 3.10 O ATOM 470 CB PHE A 30 -6.455 0.700 -17.851 1.00 15.41 C ATOM 471 CG PHE A 30 -5.346 0.508 -18.844 1.00 64.04 C ATOM 472 CD1 PHE A 30 -4.595 1.587 -19.283 1.00 14.23 C ATOM 473 CD2 PHE A 30 -5.053 -0.752 -19.340 1.00 63.33 C ATOM 474 CE1 PHE A 30 -3.573 1.414 -20.197 1.00 31.54 C ATOM 475 CE2 PHE A 30 -4.031 -0.932 -20.254 1.00 34.11 C ATOM 476 CZ PHE A 30 -3.291 0.152 -20.684 1.00 15.25 C ATOM 0 H PHE A 30 -7.295 -0.990 -16.266 1.00 41.04 H new ATOM 0 HA PHE A 30 -4.910 0.484 -16.373 1.00 33.11 H new ATOM 0 HB2 PHE A 30 -7.212 -0.068 -18.011 1.00 15.41 H new ATOM 0 HB3 PHE A 30 -6.934 1.662 -18.035 1.00 15.41 H new ATOM 0 HD1 PHE A 30 -4.811 2.576 -18.906 1.00 14.23 H new ATOM 0 HD2 PHE A 30 -5.629 -1.603 -19.009 1.00 63.33 H new ATOM 0 HE1 PHE A 30 -2.996 2.264 -20.530 1.00 31.54 H new ATOM 0 HE2 PHE A 30 -3.812 -1.920 -20.631 1.00 34.11 H new ATOM 0 HZ PHE A 30 -2.494 0.014 -21.399 1.00 15.25 H new ATOM 486 N THR A 31 -7.381 1.990 -14.934 1.00 21.04 N ATOM 487 CA THR A 31 -7.786 3.192 -14.216 1.00 32.00 C ATOM 488 C THR A 31 -7.060 3.306 -12.880 1.00 73.14 C ATOM 489 O THR A 31 -6.979 4.387 -12.298 1.00 32.34 O ATOM 490 CB THR A 31 -9.306 3.211 -13.965 1.00 22.33 C ATOM 491 OG1 THR A 31 -9.672 2.133 -13.095 1.00 41.35 O ATOM 492 CG2 THR A 31 -10.072 3.096 -15.274 1.00 32.13 C ATOM 0 H THR A 31 -7.996 1.188 -14.795 1.00 21.04 H new ATOM 0 HA THR A 31 -7.518 4.041 -14.845 1.00 32.00 H new ATOM 0 HB THR A 31 -9.563 4.160 -13.495 1.00 22.33 H new ATOM 0 HG1 THR A 31 -10.639 2.153 -12.939 1.00 41.35 H new ATOM 0 HG21 THR A 31 -11.143 3.112 -15.071 1.00 32.13 H new ATOM 0 HG22 THR A 31 -9.813 3.933 -15.922 1.00 32.13 H new ATOM 0 HG23 THR A 31 -9.810 2.160 -15.768 1.00 32.13 H new ATOM 500 N ALA A 32 -6.533 2.184 -12.401 1.00 51.10 N ATOM 501 CA ALA A 32 -5.811 2.159 -11.135 1.00 13.30 C ATOM 502 C ALA A 32 -4.324 2.423 -11.346 1.00 12.34 C ATOM 503 O ALA A 32 -3.620 2.830 -10.421 1.00 65.23 O ATOM 504 CB ALA A 32 -6.018 0.824 -10.435 1.00 53.05 C ATOM 0 H ALA A 32 -6.593 1.280 -12.871 1.00 51.10 H new ATOM 0 HA ALA A 32 -6.208 2.953 -10.503 1.00 13.30 H new ATOM 0 HB1 ALA A 32 -5.473 0.820 -9.491 1.00 53.05 H new ATOM 0 HB2 ALA A 32 -7.080 0.676 -10.241 1.00 53.05 H new ATOM 0 HB3 ALA A 32 -5.649 0.019 -11.070 1.00 53.05 H new ATOM 510 N ILE A 33 -3.854 2.189 -12.566 1.00 4.21 N ATOM 511 CA ILE A 33 -2.450 2.402 -12.897 1.00 12.42 C ATOM 512 C ILE A 33 -2.096 3.885 -12.859 1.00 43.14 C ATOM 513 O ILE A 33 -2.759 4.708 -13.489 1.00 75.45 O ATOM 514 CB ILE A 33 -2.108 1.839 -14.289 1.00 11.31 C ATOM 515 CG1 ILE A 33 -2.036 0.312 -14.241 1.00 65.33 C ATOM 516 CG2 ILE A 33 -0.794 2.422 -14.788 1.00 13.12 C ATOM 517 CD1 ILE A 33 -2.725 -0.363 -15.406 1.00 55.44 C ATOM 0 H ILE A 33 -4.424 1.852 -13.342 1.00 4.21 H new ATOM 0 HA ILE A 33 -1.864 1.872 -12.146 1.00 12.42 H new ATOM 0 HB ILE A 33 -2.897 2.125 -14.985 1.00 11.31 H new ATOM 0 HG12 ILE A 33 -0.990 0.006 -14.221 1.00 65.33 H new ATOM 0 HG13 ILE A 33 -2.487 -0.036 -13.312 1.00 65.33 H new ATOM 0 HG21 ILE A 33 -0.566 2.015 -15.773 1.00 13.12 H new ATOM 0 HG22 ILE A 33 -0.879 3.507 -14.855 1.00 13.12 H new ATOM 0 HG23 ILE A 33 0.006 2.163 -14.094 1.00 13.12 H new ATOM 0 HD11 ILE A 33 -2.634 -1.445 -15.306 1.00 55.44 H new ATOM 0 HD12 ILE A 33 -3.779 -0.087 -15.415 1.00 55.44 H new ATOM 0 HD13 ILE A 33 -2.259 -0.044 -16.338 1.00 55.44 H new ATOM 529 N GLU A 34 -1.044 4.218 -12.118 1.00 2.12 N ATOM 530 CA GLU A 34 -0.601 5.602 -12.000 1.00 3.23 C ATOM 531 C GLU A 34 0.631 5.855 -12.864 1.00 23.20 C ATOM 532 O GLU A 34 1.763 5.655 -12.424 1.00 31.51 O ATOM 533 CB GLU A 34 -0.291 5.939 -10.540 1.00 24.14 C ATOM 534 CG GLU A 34 -1.503 5.861 -9.626 1.00 65.14 C ATOM 535 CD GLU A 34 -1.838 7.194 -8.987 1.00 53.44 C ATOM 536 OE1 GLU A 34 -0.916 7.849 -8.459 1.00 24.34 O ATOM 537 OE2 GLU A 34 -3.025 7.584 -9.017 1.00 23.42 O ATOM 0 H GLU A 34 -0.483 3.549 -11.591 1.00 2.12 H new ATOM 0 HA GLU A 34 -1.408 6.246 -12.351 1.00 3.23 H new ATOM 0 HB2 GLU A 34 0.475 5.256 -10.173 1.00 24.14 H new ATOM 0 HB3 GLU A 34 0.128 6.944 -10.489 1.00 24.14 H new ATOM 0 HG2 GLU A 34 -2.362 5.510 -10.197 1.00 65.14 H new ATOM 0 HG3 GLU A 34 -1.317 5.124 -8.845 1.00 65.14 H new ATOM 631 N LEU A 41 1.864 -2.526 -19.156 1.00 54.32 N ATOM 632 CA LEU A 41 2.730 -3.424 -18.401 1.00 72.41 C ATOM 633 C LEU A 41 3.133 -4.629 -19.245 1.00 74.33 C ATOM 634 O LEU A 41 2.475 -4.955 -20.233 1.00 24.22 O ATOM 635 CB LEU A 41 2.025 -3.893 -17.127 1.00 1.22 C ATOM 636 CG LEU A 41 1.376 -2.799 -16.278 1.00 74.04 C ATOM 637 CD1 LEU A 41 0.821 -3.383 -14.988 1.00 51.13 C ATOM 638 CD2 LEU A 41 2.376 -1.692 -15.978 1.00 71.22 C ATOM 0 HA LEU A 41 3.632 -2.876 -18.129 1.00 72.41 H new ATOM 0 HB2 LEU A 41 1.256 -4.613 -17.405 1.00 1.22 H new ATOM 0 HB3 LEU A 41 2.749 -4.423 -16.509 1.00 1.22 H new ATOM 0 HG LEU A 41 0.549 -2.370 -16.844 1.00 74.04 H new ATOM 0 HD11 LEU A 41 0.363 -2.590 -14.397 1.00 51.13 H new ATOM 0 HD12 LEU A 41 0.072 -4.139 -15.224 1.00 51.13 H new ATOM 0 HD13 LEU A 41 1.630 -3.840 -14.418 1.00 51.13 H new ATOM 0 HD21 LEU A 41 1.896 -0.923 -15.373 1.00 71.22 H new ATOM 0 HD22 LEU A 41 3.224 -2.106 -15.433 1.00 71.22 H new ATOM 0 HD23 LEU A 41 2.725 -1.253 -16.913 1.00 71.22 H new ATOM 650 N ASN A 42 4.216 -5.288 -18.848 1.00 23.23 N ATOM 651 CA ASN A 42 4.706 -6.459 -19.567 1.00 11.30 C ATOM 652 C ASN A 42 4.952 -7.621 -18.610 1.00 73.53 C ATOM 653 O ASN A 42 5.604 -7.462 -17.580 1.00 4.15 O ATOM 654 CB ASN A 42 5.995 -6.120 -20.317 1.00 45.53 C ATOM 655 CG ASN A 42 5.856 -4.876 -21.174 1.00 72.23 C ATOM 656 OD1 ASN A 42 6.430 -3.831 -20.869 1.00 40.23 O ATOM 657 ND2 ASN A 42 5.089 -4.985 -22.253 1.00 45.34 N ATOM 0 H ASN A 42 4.772 -5.031 -18.032 1.00 23.23 H new ATOM 0 HA ASN A 42 3.943 -6.759 -20.286 1.00 11.30 H new ATOM 0 HB2 ASN A 42 6.802 -5.975 -19.599 1.00 45.53 H new ATOM 0 HB3 ASN A 42 6.277 -6.963 -20.948 1.00 45.53 H new ATOM 0 HD21 ASN A 42 4.957 -4.182 -22.868 1.00 45.34 H new ATOM 0 HD22 ASN A 42 4.632 -5.872 -22.467 1.00 45.34 H new ATOM 664 N GLU A 43 4.425 -8.791 -18.961 1.00 14.54 N ATOM 665 CA GLU A 43 4.587 -9.980 -18.133 1.00 1.24 C ATOM 666 C GLU A 43 6.058 -10.215 -17.801 1.00 71.34 C ATOM 667 O GLU A 43 6.897 -10.326 -18.695 1.00 13.54 O ATOM 668 CB GLU A 43 4.010 -11.206 -18.843 1.00 43.13 C ATOM 669 CG GLU A 43 4.185 -12.499 -18.065 1.00 12.14 C ATOM 670 CD GLU A 43 3.917 -13.729 -18.909 1.00 72.44 C ATOM 671 OE1 GLU A 43 2.746 -13.949 -19.284 1.00 61.10 O ATOM 672 OE2 GLU A 43 4.879 -14.472 -19.196 1.00 32.52 O ATOM 0 H GLU A 43 3.883 -8.940 -19.812 1.00 14.54 H new ATOM 0 HA GLU A 43 4.043 -9.820 -17.202 1.00 1.24 H new ATOM 0 HB2 GLU A 43 2.948 -11.043 -19.026 1.00 43.13 H new ATOM 0 HB3 GLU A 43 4.489 -11.310 -19.817 1.00 43.13 H new ATOM 0 HG2 GLU A 43 5.200 -12.547 -17.672 1.00 12.14 H new ATOM 0 HG3 GLU A 43 3.511 -12.497 -17.208 1.00 12.14 H new ATOM 679 N GLY A 44 6.363 -10.291 -16.509 1.00 50.24 N ATOM 680 CA GLY A 44 7.732 -10.512 -16.082 1.00 42.11 C ATOM 681 C GLY A 44 8.369 -9.263 -15.506 1.00 14.31 C ATOM 682 O GLY A 44 9.392 -9.337 -14.827 1.00 21.11 O ATOM 0 H GLY A 44 5.686 -10.203 -15.751 1.00 50.24 H new ATOM 0 HA2 GLY A 44 7.752 -11.304 -15.334 1.00 42.11 H new ATOM 0 HA3 GLY A 44 8.322 -10.859 -16.930 1.00 42.11 H new ATOM 686 N GLU A 45 7.762 -8.112 -15.779 1.00 0.45 N ATOM 687 CA GLU A 45 8.278 -6.841 -15.284 1.00 4.23 C ATOM 688 C GLU A 45 7.768 -6.558 -13.874 1.00 22.24 C ATOM 689 O GLU A 45 6.739 -7.089 -13.456 1.00 33.33 O ATOM 690 CB GLU A 45 7.875 -5.701 -16.222 1.00 24.23 C ATOM 691 CG GLU A 45 8.622 -4.404 -15.960 1.00 23.23 C ATOM 692 CD GLU A 45 9.111 -3.745 -17.235 1.00 5.14 C ATOM 693 OE1 GLU A 45 10.146 -4.190 -17.775 1.00 35.35 O ATOM 694 OE2 GLU A 45 8.459 -2.783 -17.692 1.00 62.24 O ATOM 0 H GLU A 45 6.913 -8.034 -16.340 1.00 0.45 H new ATOM 0 HA GLU A 45 9.365 -6.908 -15.252 1.00 4.23 H new ATOM 0 HB2 GLU A 45 8.051 -6.010 -17.252 1.00 24.23 H new ATOM 0 HB3 GLU A 45 6.805 -5.521 -16.122 1.00 24.23 H new ATOM 0 HG2 GLU A 45 7.968 -3.714 -15.426 1.00 23.23 H new ATOM 0 HG3 GLU A 45 9.473 -4.604 -15.309 1.00 23.23 H new ATOM 701 N HIS A 46 8.496 -5.718 -13.144 1.00 62.44 N ATOM 702 CA HIS A 46 8.118 -5.364 -11.781 1.00 20.52 C ATOM 703 C HIS A 46 7.254 -4.107 -11.766 1.00 31.23 C ATOM 704 O HIS A 46 7.496 -3.166 -12.521 1.00 40.13 O ATOM 705 CB HIS A 46 9.365 -5.151 -10.922 1.00 41.34 C ATOM 706 CG HIS A 46 10.491 -6.078 -11.261 1.00 45.11 C ATOM 707 ND1 HIS A 46 10.741 -7.243 -10.568 1.00 22.43 N ATOM 708 CD2 HIS A 46 11.436 -6.007 -12.228 1.00 25.05 C ATOM 709 CE1 HIS A 46 11.792 -7.848 -11.092 1.00 22.31 C ATOM 710 NE2 HIS A 46 12.233 -7.119 -12.101 1.00 55.31 N ATOM 0 H HIS A 46 9.351 -5.270 -13.474 1.00 62.44 H new ATOM 0 HA HIS A 46 7.537 -6.188 -11.366 1.00 20.52 H new ATOM 0 HB2 HIS A 46 9.705 -4.122 -11.038 1.00 41.34 H new ATOM 0 HB3 HIS A 46 9.100 -5.283 -9.873 1.00 41.34 H new ATOM 0 HD2 HIS A 46 11.543 -5.222 -12.962 1.00 25.05 H new ATOM 0 HE1 HIS A 46 12.218 -8.781 -10.753 1.00 22.31 H new ATOM 0 HE2 HIS A 46 13.035 -7.345 -12.690 1.00 55.31 H new ATOM 718 N VAL A 47 6.244 -4.099 -10.901 1.00 4.02 N ATOM 719 CA VAL A 47 5.344 -2.958 -10.787 1.00 44.40 C ATOM 720 C VAL A 47 4.700 -2.901 -9.406 1.00 64.14 C ATOM 721 O VAL A 47 4.357 -3.932 -8.829 1.00 1.23 O ATOM 722 CB VAL A 47 4.237 -3.007 -11.856 1.00 70.34 C ATOM 723 CG1 VAL A 47 4.840 -2.974 -13.252 1.00 44.02 C ATOM 724 CG2 VAL A 47 3.372 -4.245 -11.670 1.00 1.21 C ATOM 0 H VAL A 47 6.029 -4.870 -10.269 1.00 4.02 H new ATOM 0 HA VAL A 47 5.947 -2.063 -10.940 1.00 44.40 H new ATOM 0 HB VAL A 47 3.604 -2.127 -11.739 1.00 70.34 H new ATOM 0 HG11 VAL A 47 4.042 -3.009 -13.994 1.00 44.02 H new ATOM 0 HG12 VAL A 47 5.413 -2.056 -13.379 1.00 44.02 H new ATOM 0 HG13 VAL A 47 5.497 -3.833 -13.385 1.00 44.02 H new ATOM 0 HG21 VAL A 47 2.595 -4.264 -12.434 1.00 1.21 H new ATOM 0 HG22 VAL A 47 3.991 -5.138 -11.760 1.00 1.21 H new ATOM 0 HG23 VAL A 47 2.910 -4.221 -10.683 1.00 1.21 H new ATOM 734 N GLU A 48 4.539 -1.689 -8.884 1.00 24.44 N ATOM 735 CA GLU A 48 3.936 -1.499 -7.570 1.00 24.14 C ATOM 736 C GLU A 48 2.415 -1.444 -7.672 1.00 72.01 C ATOM 737 O GLU A 48 1.862 -1.222 -8.749 1.00 74.14 O ATOM 738 CB GLU A 48 4.462 -0.215 -6.924 1.00 32.21 C ATOM 739 CG GLU A 48 4.130 -0.098 -5.446 1.00 1.52 C ATOM 740 CD GLU A 48 4.858 1.051 -4.774 1.00 72.13 C ATOM 741 OE1 GLU A 48 5.458 1.875 -5.496 1.00 23.32 O ATOM 742 OE2 GLU A 48 4.827 1.126 -3.528 1.00 62.13 O ATOM 0 H GLU A 48 4.817 -0.825 -9.350 1.00 24.44 H new ATOM 0 HA GLU A 48 4.210 -2.350 -6.946 1.00 24.14 H new ATOM 0 HB2 GLU A 48 5.544 -0.172 -7.049 1.00 32.21 H new ATOM 0 HB3 GLU A 48 4.046 0.644 -7.451 1.00 32.21 H new ATOM 0 HG2 GLU A 48 3.055 0.039 -5.329 1.00 1.52 H new ATOM 0 HG3 GLU A 48 4.389 -1.030 -4.944 1.00 1.52 H new ATOM 749 N PHE A 49 1.744 -1.648 -6.543 1.00 71.34 N ATOM 750 CA PHE A 49 0.286 -1.624 -6.505 1.00 44.32 C ATOM 751 C PHE A 49 -0.218 -1.474 -5.073 1.00 3.02 C ATOM 752 O PHE A 49 0.222 -2.188 -4.172 1.00 12.41 O ATOM 753 CB PHE A 49 -0.283 -2.901 -7.127 1.00 42.53 C ATOM 754 CG PHE A 49 0.063 -4.146 -6.362 1.00 12.11 C ATOM 755 CD1 PHE A 49 1.331 -4.698 -6.448 1.00 32.03 C ATOM 756 CD2 PHE A 49 -0.880 -4.764 -5.556 1.00 41.04 C ATOM 757 CE1 PHE A 49 1.651 -5.844 -5.745 1.00 60.31 C ATOM 758 CE2 PHE A 49 -0.565 -5.910 -4.851 1.00 72.31 C ATOM 759 CZ PHE A 49 0.702 -6.450 -4.945 1.00 23.51 C ATOM 0 H PHE A 49 2.186 -1.832 -5.642 1.00 71.34 H new ATOM 0 HA PHE A 49 -0.053 -0.764 -7.083 1.00 44.32 H new ATOM 0 HB2 PHE A 49 -1.368 -2.813 -7.190 1.00 42.53 H new ATOM 0 HB3 PHE A 49 0.089 -2.996 -8.147 1.00 42.53 H new ATOM 0 HD1 PHE A 49 2.077 -4.228 -7.071 1.00 32.03 H new ATOM 0 HD2 PHE A 49 -1.872 -4.345 -5.478 1.00 41.04 H new ATOM 0 HE1 PHE A 49 2.642 -6.265 -5.821 1.00 60.31 H new ATOM 0 HE2 PHE A 49 -1.309 -6.383 -4.227 1.00 72.31 H new ATOM 0 HZ PHE A 49 0.951 -7.345 -4.394 1.00 23.51 H new ATOM 769 N GLU A 50 -1.142 -0.540 -4.872 1.00 35.33 N ATOM 770 CA GLU A 50 -1.705 -0.296 -3.549 1.00 12.11 C ATOM 771 C GLU A 50 -3.055 -0.991 -3.395 1.00 23.53 C ATOM 772 O GLU A 50 -4.084 -0.480 -3.836 1.00 44.15 O ATOM 773 CB GLU A 50 -1.863 1.207 -3.307 1.00 71.22 C ATOM 774 CG GLU A 50 -1.046 1.724 -2.135 1.00 33.21 C ATOM 775 CD GLU A 50 -1.795 1.636 -0.819 1.00 4.41 C ATOM 776 OE1 GLU A 50 -2.023 0.506 -0.340 1.00 14.33 O ATOM 777 OE2 GLU A 50 -2.151 2.699 -0.268 1.00 50.22 O ATOM 0 H GLU A 50 -1.516 0.060 -5.607 1.00 35.33 H new ATOM 0 HA GLU A 50 -1.018 -0.706 -2.809 1.00 12.11 H new ATOM 0 HB2 GLU A 50 -1.570 1.744 -4.209 1.00 71.22 H new ATOM 0 HB3 GLU A 50 -2.916 1.430 -3.132 1.00 71.22 H new ATOM 0 HG2 GLU A 50 -0.121 1.152 -2.061 1.00 33.21 H new ATOM 0 HG3 GLU A 50 -0.766 2.761 -2.321 1.00 33.21 H new ATOM 784 N VAL A 51 -3.042 -2.162 -2.765 1.00 21.10 N ATOM 785 CA VAL A 51 -4.264 -2.929 -2.551 1.00 45.34 C ATOM 786 C VAL A 51 -5.232 -2.178 -1.644 1.00 23.21 C ATOM 787 O VAL A 51 -4.875 -1.778 -0.536 1.00 72.22 O ATOM 788 CB VAL A 51 -3.961 -4.306 -1.933 1.00 63.51 C ATOM 789 CG1 VAL A 51 -2.976 -5.076 -2.800 1.00 74.53 C ATOM 790 CG2 VAL A 51 -3.427 -4.149 -0.517 1.00 42.14 C ATOM 0 H VAL A 51 -2.199 -2.600 -2.394 1.00 21.10 H new ATOM 0 HA VAL A 51 -4.724 -3.072 -3.529 1.00 45.34 H new ATOM 0 HB VAL A 51 -4.889 -4.875 -1.886 1.00 63.51 H new ATOM 0 HG11 VAL A 51 -2.774 -6.047 -2.347 1.00 74.53 H new ATOM 0 HG12 VAL A 51 -3.401 -5.220 -3.793 1.00 74.53 H new ATOM 0 HG13 VAL A 51 -2.046 -4.513 -2.882 1.00 74.53 H new ATOM 0 HG21 VAL A 51 -3.218 -5.132 -0.096 1.00 42.14 H new ATOM 0 HG22 VAL A 51 -2.510 -3.561 -0.537 1.00 42.14 H new ATOM 0 HG23 VAL A 51 -4.170 -3.641 0.098 1.00 42.14 H new ATOM 800 N GLU A 52 -6.458 -1.991 -2.122 1.00 31.54 N ATOM 801 CA GLU A 52 -7.478 -1.288 -1.352 1.00 61.23 C ATOM 802 C GLU A 52 -8.593 -2.240 -0.930 1.00 33.05 C ATOM 803 O GLU A 52 -8.778 -3.314 -1.503 1.00 12.30 O ATOM 804 CB GLU A 52 -8.060 -0.134 -2.171 1.00 33.12 C ATOM 805 CG GLU A 52 -7.315 1.178 -1.989 1.00 72.43 C ATOM 806 CD GLU A 52 -7.218 1.597 -0.535 1.00 55.34 C ATOM 807 OE1 GLU A 52 -6.238 1.206 0.132 1.00 51.33 O ATOM 808 OE2 GLU A 52 -8.124 2.317 -0.065 1.00 10.40 O ATOM 0 H GLU A 52 -6.769 -2.316 -3.037 1.00 31.54 H new ATOM 0 HA GLU A 52 -7.008 -0.887 -0.454 1.00 61.23 H new ATOM 0 HB2 GLU A 52 -8.047 -0.406 -3.226 1.00 33.12 H new ATOM 0 HB3 GLU A 52 -9.104 0.009 -1.891 1.00 33.12 H new ATOM 0 HG2 GLU A 52 -6.311 1.082 -2.403 1.00 72.43 H new ATOM 0 HG3 GLU A 52 -7.820 1.960 -2.556 1.00 72.43 H new ATOM 815 N PRO A 53 -9.355 -1.839 0.099 1.00 40.51 N ATOM 816 CA PRO A 53 -10.465 -2.640 0.622 1.00 31.31 C ATOM 817 C PRO A 53 -11.639 -2.708 -0.348 1.00 53.24 C ATOM 818 O PRO A 53 -11.695 -3.584 -1.210 1.00 35.21 O ATOM 819 CB PRO A 53 -10.868 -1.898 1.898 1.00 13.54 C ATOM 820 CG PRO A 53 -10.436 -0.490 1.671 1.00 64.34 C ATOM 821 CD PRO A 53 -9.192 -0.571 0.830 1.00 45.42 C ATOM 0 HA PRO A 53 -10.175 -3.677 0.789 1.00 31.31 H new ATOM 0 HB2 PRO A 53 -11.943 -1.960 2.069 1.00 13.54 H new ATOM 0 HB3 PRO A 53 -10.381 -2.325 2.775 1.00 13.54 H new ATOM 0 HG2 PRO A 53 -11.214 0.080 1.164 1.00 64.34 H new ATOM 0 HG3 PRO A 53 -10.236 0.015 2.616 1.00 64.34 H new ATOM 0 HD2 PRO A 53 -9.111 0.277 0.150 1.00 45.42 H new ATOM 0 HD3 PRO A 53 -8.291 -0.574 1.444 1.00 45.42 H new ATOM 829 N GLY A 54 -12.576 -1.775 -0.203 1.00 31.52 N ATOM 830 CA GLY A 54 -13.736 -1.747 -1.074 1.00 74.40 C ATOM 831 C GLY A 54 -13.453 -1.062 -2.396 1.00 3.53 C ATOM 832 O GLY A 54 -14.061 -0.040 -2.716 1.00 31.32 O ATOM 0 H GLY A 54 -12.552 -1.038 0.502 1.00 31.52 H new ATOM 0 HA2 GLY A 54 -14.070 -2.767 -1.261 1.00 74.40 H new ATOM 0 HA3 GLY A 54 -14.553 -1.232 -0.569 1.00 74.40 H new ATOM 836 N ARG A 55 -12.525 -1.622 -3.164 1.00 70.55 N ATOM 837 CA ARG A 55 -12.160 -1.056 -4.457 1.00 62.54 C ATOM 838 C ARG A 55 -12.147 -2.133 -5.538 1.00 74.34 C ATOM 839 O ARG A 55 -12.600 -1.907 -6.660 1.00 33.13 O ATOM 840 CB ARG A 55 -10.787 -0.386 -4.375 1.00 54.41 C ATOM 841 CG ARG A 55 -10.407 0.379 -5.633 1.00 24.55 C ATOM 842 CD ARG A 55 -11.054 1.754 -5.666 1.00 51.01 C ATOM 843 NE ARG A 55 -11.026 2.340 -7.004 1.00 21.23 N ATOM 844 CZ ARG A 55 -11.793 3.358 -7.376 1.00 52.13 C ATOM 845 NH1 ARG A 55 -12.644 3.901 -6.516 1.00 61.14 N ATOM 846 NH2 ARG A 55 -11.710 3.836 -8.611 1.00 61.14 N ATOM 0 H ARG A 55 -12.012 -2.467 -2.914 1.00 70.55 H new ATOM 0 HA ARG A 55 -12.907 -0.308 -4.722 1.00 62.54 H new ATOM 0 HB2 ARG A 55 -10.776 0.298 -3.527 1.00 54.41 H new ATOM 0 HB3 ARG A 55 -10.032 -1.147 -4.181 1.00 54.41 H new ATOM 0 HG2 ARG A 55 -9.323 0.484 -5.682 1.00 24.55 H new ATOM 0 HG3 ARG A 55 -10.712 -0.189 -6.512 1.00 24.55 H new ATOM 0 HD2 ARG A 55 -12.087 1.677 -5.325 1.00 51.01 H new ATOM 0 HD3 ARG A 55 -10.537 2.415 -4.970 1.00 51.01 H new ATOM 0 HE ARG A 55 -10.382 1.946 -7.690 1.00 21.23 H new ATOM 0 HH11 ARG A 55 -12.711 3.537 -5.566 1.00 61.14 H new ATOM 0 HH12 ARG A 55 -13.232 4.683 -6.805 1.00 61.14 H new ATOM 0 HH21 ARG A 55 -11.057 3.421 -9.275 1.00 61.14 H new ATOM 0 HH22 ARG A 55 -12.300 4.618 -8.896 1.00 61.14 H new ATOM 860 N GLY A 56 -11.625 -3.306 -5.193 1.00 23.14 N ATOM 861 CA GLY A 56 -11.562 -4.400 -6.144 1.00 53.01 C ATOM 862 C GLY A 56 -12.628 -5.449 -5.893 1.00 4.43 C ATOM 863 O GLY A 56 -12.994 -5.709 -4.748 1.00 14.24 O ATOM 0 H GLY A 56 -11.244 -3.518 -4.271 1.00 23.14 H new ATOM 0 HA2 GLY A 56 -11.675 -4.006 -7.154 1.00 53.01 H new ATOM 0 HA3 GLY A 56 -10.578 -4.866 -6.092 1.00 53.01 H new ATOM 867 N GLY A 57 -13.128 -6.052 -6.967 1.00 45.10 N ATOM 868 CA GLY A 57 -14.154 -7.070 -6.836 1.00 43.31 C ATOM 869 C GLY A 57 -13.799 -8.121 -5.803 1.00 15.42 C ATOM 870 O GLY A 57 -14.591 -8.413 -4.907 1.00 34.24 O ATOM 0 H GLY A 57 -12.841 -5.854 -7.925 1.00 45.10 H new ATOM 0 HA2 GLY A 57 -15.097 -6.598 -6.560 1.00 43.31 H new ATOM 0 HA3 GLY A 57 -14.309 -7.552 -7.801 1.00 43.31 H new ATOM 874 N LYS A 58 -12.606 -8.692 -5.927 1.00 54.03 N ATOM 875 CA LYS A 58 -12.148 -9.717 -4.998 1.00 23.24 C ATOM 876 C LYS A 58 -11.721 -9.097 -3.671 1.00 45.01 C ATOM 877 O LYS A 58 -11.526 -9.800 -2.680 1.00 55.32 O ATOM 878 CB LYS A 58 -10.982 -10.501 -5.605 1.00 72.10 C ATOM 879 CG LYS A 58 -11.309 -11.136 -6.945 1.00 73.34 C ATOM 880 CD LYS A 58 -12.500 -12.075 -6.842 1.00 24.11 C ATOM 881 CE LYS A 58 -12.214 -13.236 -5.901 1.00 40.41 C ATOM 882 NZ LYS A 58 -13.204 -14.336 -6.061 1.00 71.35 N ATOM 0 H LYS A 58 -11.938 -8.462 -6.663 1.00 54.03 H new ATOM 0 HA LYS A 58 -12.978 -10.399 -4.811 1.00 23.24 H new ATOM 0 HB2 LYS A 58 -10.130 -9.832 -5.727 1.00 72.10 H new ATOM 0 HB3 LYS A 58 -10.677 -11.281 -4.907 1.00 72.10 H new ATOM 0 HG2 LYS A 58 -11.522 -10.356 -7.676 1.00 73.34 H new ATOM 0 HG3 LYS A 58 -10.441 -11.686 -7.309 1.00 73.34 H new ATOM 0 HD2 LYS A 58 -13.370 -11.523 -6.487 1.00 24.11 H new ATOM 0 HD3 LYS A 58 -12.748 -12.460 -7.831 1.00 24.11 H new ATOM 0 HE2 LYS A 58 -11.211 -13.619 -6.091 1.00 40.41 H new ATOM 0 HE3 LYS A 58 -12.229 -12.881 -4.871 1.00 40.41 H new ATOM 0 HZ1 LYS A 58 -12.975 -15.108 -5.403 1.00 71.35 H new ATOM 0 HZ2 LYS A 58 -14.158 -13.977 -5.855 1.00 71.35 H new ATOM 0 HZ3 LYS A 58 -13.172 -14.693 -7.037 1.00 71.35 H new ATOM 896 N GLY A 59 -11.577 -7.775 -3.660 1.00 31.12 N ATOM 897 CA GLY A 59 -11.175 -7.083 -2.449 1.00 53.13 C ATOM 898 C GLY A 59 -9.962 -6.199 -2.662 1.00 72.32 C ATOM 899 O GLY A 59 -10.072 -4.981 -2.801 1.00 42.13 O ATOM 0 H GLY A 59 -11.731 -7.171 -4.468 1.00 31.12 H new ATOM 0 HA2 GLY A 59 -12.005 -6.475 -2.089 1.00 53.13 H new ATOM 0 HA3 GLY A 59 -10.955 -7.815 -1.672 1.00 53.13 H new ATOM 903 N PRO A 60 -8.772 -6.818 -2.688 1.00 52.52 N ATOM 904 CA PRO A 60 -7.510 -6.098 -2.884 1.00 13.31 C ATOM 905 C PRO A 60 -7.368 -5.552 -4.301 1.00 22.14 C ATOM 906 O PRO A 60 -7.238 -6.314 -5.258 1.00 74.31 O ATOM 907 CB PRO A 60 -6.447 -7.165 -2.612 1.00 73.15 C ATOM 908 CG PRO A 60 -7.125 -8.458 -2.909 1.00 23.40 C ATOM 909 CD PRO A 60 -8.567 -8.267 -2.529 1.00 50.01 C ATOM 0 HA PRO A 60 -7.433 -5.226 -2.235 1.00 13.31 H new ATOM 0 HB2 PRO A 60 -5.571 -7.022 -3.245 1.00 73.15 H new ATOM 0 HB3 PRO A 60 -6.103 -7.127 -1.579 1.00 73.15 H new ATOM 0 HG2 PRO A 60 -7.030 -8.715 -3.964 1.00 23.40 H new ATOM 0 HG3 PRO A 60 -6.677 -9.273 -2.341 1.00 23.40 H new ATOM 0 HD2 PRO A 60 -9.232 -8.840 -3.175 1.00 50.01 H new ATOM 0 HD3 PRO A 60 -8.759 -8.590 -1.506 1.00 50.01 H new ATOM 917 N GLN A 61 -7.392 -4.229 -4.426 1.00 31.24 N ATOM 918 CA GLN A 61 -7.266 -3.583 -5.727 1.00 3.25 C ATOM 919 C GLN A 61 -5.985 -2.758 -5.802 1.00 53.43 C ATOM 920 O GLN A 61 -5.494 -2.262 -4.789 1.00 22.34 O ATOM 921 CB GLN A 61 -8.478 -2.690 -5.996 1.00 74.31 C ATOM 922 CG GLN A 61 -8.361 -1.874 -7.273 1.00 72.12 C ATOM 923 CD GLN A 61 -8.447 -2.729 -8.522 1.00 53.12 C ATOM 924 OE1 GLN A 61 -9.171 -3.724 -8.558 1.00 71.54 O ATOM 925 NE2 GLN A 61 -7.707 -2.344 -9.555 1.00 74.05 N ATOM 0 H GLN A 61 -7.497 -3.584 -3.643 1.00 31.24 H new ATOM 0 HA GLN A 61 -7.221 -4.361 -6.489 1.00 3.25 H new ATOM 0 HB2 GLN A 61 -9.371 -3.312 -6.053 1.00 74.31 H new ATOM 0 HB3 GLN A 61 -8.614 -2.013 -5.153 1.00 74.31 H new ATOM 0 HG2 GLN A 61 -9.153 -1.125 -7.295 1.00 72.12 H new ATOM 0 HG3 GLN A 61 -7.413 -1.336 -7.270 1.00 72.12 H new ATOM 0 HE21 GLN A 61 -7.121 -1.512 -9.481 1.00 74.05 H new ATOM 0 HE22 GLN A 61 -7.724 -2.880 -10.423 1.00 74.05 H new ATOM 934 N ALA A 62 -5.450 -2.614 -7.010 1.00 71.43 N ATOM 935 CA ALA A 62 -4.228 -1.848 -7.218 1.00 41.13 C ATOM 936 C ALA A 62 -4.521 -0.353 -7.280 1.00 54.24 C ATOM 937 O ALA A 62 -4.207 0.312 -8.268 1.00 20.10 O ATOM 938 CB ALA A 62 -3.529 -2.304 -8.491 1.00 11.14 C ATOM 0 H ALA A 62 -5.844 -3.018 -7.860 1.00 71.43 H new ATOM 0 HA ALA A 62 -3.568 -2.027 -6.370 1.00 41.13 H new ATOM 0 HB1 ALA A 62 -2.618 -1.723 -8.634 1.00 11.14 H new ATOM 0 HB2 ALA A 62 -3.276 -3.361 -8.409 1.00 11.14 H new ATOM 0 HB3 ALA A 62 -4.192 -2.155 -9.343 1.00 11.14 H new ATOM 944 N LYS A 63 -5.127 0.171 -6.220 1.00 3.10 N ATOM 945 CA LYS A 63 -5.463 1.588 -6.153 1.00 2.33 C ATOM 946 C LYS A 63 -4.327 2.444 -6.705 1.00 72.45 C ATOM 947 O LYS A 63 -4.544 3.310 -7.552 1.00 53.54 O ATOM 948 CB LYS A 63 -5.765 1.994 -4.708 1.00 44.03 C ATOM 949 CG LYS A 63 -5.836 3.497 -4.501 1.00 22.01 C ATOM 950 CD LYS A 63 -6.814 4.147 -5.465 1.00 11.22 C ATOM 951 CE LYS A 63 -8.214 3.573 -5.310 1.00 11.34 C ATOM 952 NZ LYS A 63 -9.253 4.640 -5.297 1.00 43.42 N ATOM 0 H LYS A 63 -5.396 -0.365 -5.395 1.00 3.10 H new ATOM 0 HA LYS A 63 -6.350 1.754 -6.764 1.00 2.33 H new ATOM 0 HB2 LYS A 63 -6.713 1.549 -4.405 1.00 44.03 H new ATOM 0 HB3 LYS A 63 -4.996 1.582 -4.055 1.00 44.03 H new ATOM 0 HG2 LYS A 63 -6.138 3.710 -3.476 1.00 22.01 H new ATOM 0 HG3 LYS A 63 -4.846 3.931 -4.638 1.00 22.01 H new ATOM 0 HD2 LYS A 63 -6.839 5.222 -5.289 1.00 11.22 H new ATOM 0 HD3 LYS A 63 -6.470 3.999 -6.489 1.00 11.22 H new ATOM 0 HE2 LYS A 63 -8.415 2.880 -6.127 1.00 11.34 H new ATOM 0 HE3 LYS A 63 -8.271 2.999 -4.385 1.00 11.34 H new ATOM 0 HZ1 LYS A 63 -9.960 4.427 -4.564 1.00 43.42 H new ATOM 0 HZ2 LYS A 63 -8.807 5.557 -5.092 1.00 43.42 H new ATOM 0 HZ3 LYS A 63 -9.719 4.682 -6.226 1.00 43.42 H new ATOM 966 N LYS A 64 -3.115 2.194 -6.222 1.00 70.41 N ATOM 967 CA LYS A 64 -1.944 2.938 -6.669 1.00 41.32 C ATOM 968 C LYS A 64 -0.898 2.001 -7.264 1.00 42.12 C ATOM 969 O LYS A 64 -0.162 1.334 -6.537 1.00 4.42 O ATOM 970 CB LYS A 64 -1.337 3.723 -5.504 1.00 33.23 C ATOM 971 CG LYS A 64 -1.047 5.176 -5.835 1.00 4.42 C ATOM 972 CD LYS A 64 -2.224 6.073 -5.489 1.00 44.22 C ATOM 973 CE LYS A 64 -3.391 5.851 -6.438 1.00 72.22 C ATOM 974 NZ LYS A 64 -4.279 7.044 -6.514 1.00 34.30 N ATOM 0 H LYS A 64 -2.918 1.481 -5.520 1.00 70.41 H new ATOM 0 HA LYS A 64 -2.263 3.636 -7.443 1.00 41.32 H new ATOM 0 HB2 LYS A 64 -2.019 3.682 -4.655 1.00 33.23 H new ATOM 0 HB3 LYS A 64 -0.411 3.238 -5.193 1.00 33.23 H new ATOM 0 HG2 LYS A 64 -0.164 5.506 -5.287 1.00 4.42 H new ATOM 0 HG3 LYS A 64 -0.817 5.269 -6.896 1.00 4.42 H new ATOM 0 HD2 LYS A 64 -2.544 5.877 -4.465 1.00 44.22 H new ATOM 0 HD3 LYS A 64 -1.912 7.117 -5.532 1.00 44.22 H new ATOM 0 HE2 LYS A 64 -3.011 5.617 -7.432 1.00 72.22 H new ATOM 0 HE3 LYS A 64 -3.969 4.988 -6.107 1.00 72.22 H new ATOM 0 HZ1 LYS A 64 -5.273 6.738 -6.511 1.00 34.30 H new ATOM 0 HZ2 LYS A 64 -4.104 7.660 -5.695 1.00 34.30 H new ATOM 0 HZ3 LYS A 64 -4.081 7.569 -7.390 1.00 34.30 H new ATOM 988 N VAL A 65 -0.836 1.956 -8.591 1.00 53.33 N ATOM 989 CA VAL A 65 0.122 1.103 -9.284 1.00 33.11 C ATOM 990 C VAL A 65 1.256 1.925 -9.885 1.00 3.15 C ATOM 991 O VAL A 65 1.043 3.037 -10.367 1.00 15.30 O ATOM 992 CB VAL A 65 -0.557 0.290 -10.403 1.00 2.24 C ATOM 993 CG1 VAL A 65 0.210 0.435 -11.708 1.00 50.23 C ATOM 994 CG2 VAL A 65 -0.673 -1.173 -10.003 1.00 3.25 C ATOM 0 H VAL A 65 -1.438 2.501 -9.208 1.00 53.33 H new ATOM 0 HA VAL A 65 0.529 0.416 -8.542 1.00 33.11 H new ATOM 0 HB VAL A 65 -1.563 0.682 -10.555 1.00 2.24 H new ATOM 0 HG11 VAL A 65 -0.284 -0.146 -12.487 1.00 50.23 H new ATOM 0 HG12 VAL A 65 0.236 1.485 -12.000 1.00 50.23 H new ATOM 0 HG13 VAL A 65 1.228 0.070 -11.574 1.00 50.23 H new ATOM 0 HG21 VAL A 65 -1.155 -1.732 -10.805 1.00 3.25 H new ATOM 0 HG22 VAL A 65 0.322 -1.581 -9.823 1.00 3.25 H new ATOM 0 HG23 VAL A 65 -1.269 -1.256 -9.094 1.00 3.25 H new ATOM 1004 N ARG A 66 2.463 1.370 -9.852 1.00 5.10 N ATOM 1005 CA ARG A 66 3.633 2.052 -10.393 1.00 11.43 C ATOM 1006 C ARG A 66 4.439 1.120 -11.292 1.00 21.32 C ATOM 1007 O ARG A 66 4.400 -0.100 -11.131 1.00 71.35 O ATOM 1008 CB ARG A 66 4.516 2.573 -9.257 1.00 41.35 C ATOM 1009 CG ARG A 66 3.760 3.393 -8.225 1.00 1.32 C ATOM 1010 CD ARG A 66 4.348 4.788 -8.082 1.00 42.30 C ATOM 1011 NE ARG A 66 5.598 4.781 -7.326 1.00 33.21 N ATOM 1012 CZ ARG A 66 5.654 4.719 -6.000 1.00 60.12 C ATOM 1013 NH1 ARG A 66 4.537 4.659 -5.288 1.00 23.00 N ATOM 1014 NH2 ARG A 66 6.829 4.716 -5.384 1.00 43.33 N ATOM 0 H ARG A 66 2.657 0.450 -9.456 1.00 5.10 H new ATOM 0 HA ARG A 66 3.287 2.895 -10.991 1.00 11.43 H new ATOM 0 HB2 ARG A 66 4.990 1.727 -8.760 1.00 41.35 H new ATOM 0 HB3 ARG A 66 5.314 3.183 -9.679 1.00 41.35 H new ATOM 0 HG2 ARG A 66 2.712 3.467 -8.514 1.00 1.32 H new ATOM 0 HG3 ARG A 66 3.790 2.884 -7.262 1.00 1.32 H new ATOM 0 HD2 ARG A 66 4.525 5.210 -9.071 1.00 42.30 H new ATOM 0 HD3 ARG A 66 3.627 5.436 -7.584 1.00 42.30 H new ATOM 0 HE ARG A 66 6.475 4.826 -7.844 1.00 33.21 H new ATOM 0 HH11 ARG A 66 3.632 4.660 -5.758 1.00 23.00 H new ATOM 0 HH12 ARG A 66 4.583 4.611 -4.270 1.00 23.00 H new ATOM 0 HH21 ARG A 66 7.690 4.761 -5.928 1.00 43.33 H new ATOM 0 HH22 ARG A 66 6.871 4.668 -4.366 1.00 43.33 H new ATOM 1028 N ARG A 67 5.169 1.702 -12.238 1.00 13.34 N ATOM 1029 CA ARG A 67 5.983 0.924 -13.163 1.00 75.41 C ATOM 1030 C ARG A 67 7.395 0.734 -12.618 1.00 42.52 C ATOM 1031 O ARG A 67 8.015 1.681 -12.132 1.00 21.33 O ATOM 1032 CB ARG A 67 6.039 1.611 -14.529 1.00 30.14 C ATOM 1033 CG ARG A 67 6.806 2.923 -14.519 1.00 1.02 C ATOM 1034 CD ARG A 67 6.445 3.789 -15.716 1.00 32.42 C ATOM 1035 NE ARG A 67 7.192 5.043 -15.729 1.00 52.43 N ATOM 1036 CZ ARG A 67 6.926 6.066 -14.924 1.00 32.31 C ATOM 1037 NH1 ARG A 67 5.936 5.982 -14.045 1.00 63.23 N ATOM 1038 NH2 ARG A 67 7.651 7.175 -14.996 1.00 33.20 N ATOM 0 H ARG A 67 5.213 2.711 -12.384 1.00 13.34 H new ATOM 0 HA ARG A 67 5.522 -0.057 -13.276 1.00 75.41 H new ATOM 0 HB2 ARG A 67 6.502 0.935 -15.248 1.00 30.14 H new ATOM 0 HB3 ARG A 67 5.022 1.797 -14.875 1.00 30.14 H new ATOM 0 HG2 ARG A 67 6.590 3.465 -13.598 1.00 1.02 H new ATOM 0 HG3 ARG A 67 7.877 2.720 -14.525 1.00 1.02 H new ATOM 0 HD2 ARG A 67 6.645 3.238 -16.635 1.00 32.42 H new ATOM 0 HD3 ARG A 67 5.376 4.004 -15.699 1.00 32.42 H new ATOM 0 HE ARG A 67 7.961 5.139 -16.393 1.00 52.43 H new ATOM 0 HH11 ARG A 67 5.377 5.131 -13.986 1.00 63.23 H new ATOM 0 HH12 ARG A 67 5.734 6.769 -13.428 1.00 63.23 H new ATOM 0 HH21 ARG A 67 8.414 7.243 -15.670 1.00 33.20 H new ATOM 0 HH22 ARG A 67 7.446 7.960 -14.377 1.00 33.20 H new ATOM 1052 N ILE A 68 7.897 -0.493 -12.703 1.00 0.12 N ATOM 1053 CA ILE A 68 9.236 -0.805 -12.219 1.00 30.32 C ATOM 1054 C ILE A 68 9.946 -1.778 -13.155 1.00 13.14 C ATOM 1055 O ILE A 68 9.874 -2.994 -12.974 1.00 43.43 O ATOM 1056 CB ILE A 68 9.196 -1.410 -10.803 1.00 0.52 C ATOM 1057 CG1 ILE A 68 8.251 -0.605 -9.908 1.00 30.11 C ATOM 1058 CG2 ILE A 68 10.594 -1.450 -10.205 1.00 23.04 C ATOM 1059 CD1 ILE A 68 8.648 -0.613 -8.448 1.00 42.23 C ATOM 0 H ILE A 68 7.397 -1.287 -13.102 1.00 0.12 H new ATOM 0 HA ILE A 68 9.787 0.135 -12.189 1.00 30.32 H new ATOM 0 HB ILE A 68 8.821 -2.431 -10.870 1.00 0.52 H new ATOM 0 HG12 ILE A 68 8.219 0.426 -10.262 1.00 30.11 H new ATOM 0 HG13 ILE A 68 7.242 -1.007 -10.004 1.00 30.11 H new ATOM 0 HG21 ILE A 68 10.550 -1.880 -9.204 1.00 23.04 H new ATOM 0 HG22 ILE A 68 11.241 -2.061 -10.834 1.00 23.04 H new ATOM 0 HG23 ILE A 68 10.994 -0.438 -10.147 1.00 23.04 H new ATOM 0 HD11 ILE A 68 7.934 -0.023 -7.874 1.00 42.23 H new ATOM 0 HD12 ILE A 68 8.653 -1.638 -8.078 1.00 42.23 H new ATOM 0 HD13 ILE A 68 9.644 -0.184 -8.339 1.00 42.23 H new