USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 527 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.342 (180deg=0.0691) 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= 0.0413 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.809 K(o=-0.81,f=-0.13) 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= -7.43 K(o=-7.4,f=-10!) USER MOD Single : A 20 GLN : amide:sc= -0.355 K(o=-0.35,f=-7.1!) USER MOD Single : A 29 HIS : no HD1:sc= -2 K(o=-2,f=-2.6) USER MOD Single : A 31 THR OG1 : rot -40:sc= 1.02 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.246 K(o=0.25,f=-0.75) USER MOD Single : A 46 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.021) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.8 K(o=-1.8,f=-2.3) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= -0.96 (180deg=-1.75) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0124) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.595 -0.550 -0.343 1.00 13.44 N ATOM 2 CA MET A 1 1.821 -0.258 -1.076 1.00 21.12 C ATOM 3 C MET A 1 2.713 -1.493 -1.157 1.00 35.30 C ATOM 4 O MET A 1 3.569 -1.711 -0.300 1.00 31.14 O ATOM 5 CB MET A 1 2.580 0.890 -0.407 1.00 71.22 C ATOM 6 CG MET A 1 1.834 2.214 -0.443 1.00 33.42 C ATOM 7 SD MET A 1 0.769 2.450 0.993 1.00 20.21 S ATOM 8 CE MET A 1 0.555 4.228 0.967 1.00 71.10 C ATOM 0 H1 MET A 1 0.235 0.323 0.094 1.00 13.44 H new ATOM 0 H2 MET A 1 -0.119 -0.929 -0.997 1.00 13.44 H new ATOM 0 H3 MET A 1 0.793 -1.252 0.398 1.00 13.44 H new ATOM 0 HA MET A 1 1.547 0.038 -2.089 1.00 21.12 H new ATOM 0 HB2 MET A 1 2.783 0.625 0.631 1.00 71.22 H new ATOM 0 HB3 MET A 1 3.545 1.012 -0.899 1.00 71.22 H new ATOM 0 HG2 MET A 1 2.554 3.031 -0.495 1.00 33.42 H new ATOM 0 HG3 MET A 1 1.231 2.262 -1.350 1.00 33.42 H new ATOM 0 HE1 MET A 1 -0.083 4.530 1.798 1.00 71.10 H new ATOM 0 HE2 MET A 1 1.527 4.713 1.061 1.00 71.10 H new ATOM 0 HE3 MET A 1 0.091 4.525 0.027 1.00 71.10 H new ATOM 18 N LYS A 2 2.506 -2.300 -2.193 1.00 13.34 N ATOM 19 CA LYS A 2 3.291 -3.513 -2.387 1.00 12.11 C ATOM 20 C LYS A 2 3.963 -3.512 -3.756 1.00 60.51 C ATOM 21 O LYS A 2 3.447 -2.933 -4.712 1.00 62.45 O ATOM 22 CB LYS A 2 2.400 -4.749 -2.244 1.00 64.45 C ATOM 23 CG LYS A 2 2.721 -5.593 -1.023 1.00 4.55 C ATOM 24 CD LYS A 2 2.718 -4.758 0.247 1.00 32.03 C ATOM 25 CE LYS A 2 1.941 -5.442 1.362 1.00 62.42 C ATOM 26 NZ LYS A 2 1.541 -4.484 2.429 1.00 43.42 N ATOM 0 H LYS A 2 1.801 -2.135 -2.911 1.00 13.34 H new ATOM 0 HA LYS A 2 4.067 -3.542 -1.622 1.00 12.11 H new ATOM 0 HB2 LYS A 2 1.359 -4.432 -2.192 1.00 64.45 H new ATOM 0 HB3 LYS A 2 2.501 -5.365 -3.138 1.00 64.45 H new ATOM 0 HG2 LYS A 2 1.991 -6.397 -0.933 1.00 4.55 H new ATOM 0 HG3 LYS A 2 3.697 -6.062 -1.149 1.00 4.55 H new ATOM 0 HD2 LYS A 2 3.744 -4.583 0.571 1.00 32.03 H new ATOM 0 HD3 LYS A 2 2.278 -3.782 0.041 1.00 32.03 H new ATOM 0 HE2 LYS A 2 1.051 -5.915 0.947 1.00 62.42 H new ATOM 0 HE3 LYS A 2 2.551 -6.235 1.796 1.00 62.42 H new ATOM 0 HZ1 LYS A 2 1.014 -4.989 3.170 1.00 43.42 H new ATOM 0 HZ2 LYS A 2 2.391 -4.051 2.843 1.00 43.42 H new ATOM 0 HZ3 LYS A 2 0.938 -3.741 2.021 1.00 43.42 H new ATOM 40 N LYS A 3 5.116 -4.166 -3.844 1.00 64.21 N ATOM 41 CA LYS A 3 5.859 -4.244 -5.097 1.00 34.23 C ATOM 42 C LYS A 3 6.099 -5.696 -5.497 1.00 62.31 C ATOM 43 O LYS A 3 6.495 -6.520 -4.673 1.00 74.13 O ATOM 44 CB LYS A 3 7.196 -3.511 -4.967 1.00 71.45 C ATOM 45 CG LYS A 3 7.060 -2.081 -4.476 1.00 44.54 C ATOM 46 CD LYS A 3 8.385 -1.538 -3.967 1.00 41.10 C ATOM 47 CE LYS A 3 8.187 -0.604 -2.783 1.00 33.11 C ATOM 48 NZ LYS A 3 9.469 -0.315 -2.083 1.00 62.33 N ATOM 0 H LYS A 3 5.557 -4.650 -3.062 1.00 64.21 H new ATOM 0 HA LYS A 3 5.264 -3.765 -5.875 1.00 34.23 H new ATOM 0 HB2 LYS A 3 7.838 -4.063 -4.280 1.00 71.45 H new ATOM 0 HB3 LYS A 3 7.695 -3.508 -5.936 1.00 71.45 H new ATOM 0 HG2 LYS A 3 6.694 -1.450 -5.286 1.00 44.54 H new ATOM 0 HG3 LYS A 3 6.318 -2.038 -3.679 1.00 44.54 H new ATOM 0 HD2 LYS A 3 9.030 -2.366 -3.674 1.00 41.10 H new ATOM 0 HD3 LYS A 3 8.894 -1.006 -4.771 1.00 41.10 H new ATOM 0 HE2 LYS A 3 7.743 0.330 -3.128 1.00 33.11 H new ATOM 0 HE3 LYS A 3 7.483 -1.052 -2.081 1.00 33.11 H new ATOM 0 HZ1 LYS A 3 9.291 0.325 -1.283 1.00 62.33 H new ATOM 0 HZ2 LYS A 3 9.880 -1.203 -1.732 1.00 62.33 H new ATOM 0 HZ3 LYS A 3 10.132 0.136 -2.745 1.00 62.33 H new ATOM 62 N GLY A 4 5.859 -6.003 -6.769 1.00 1.35 N ATOM 63 CA GLY A 4 6.057 -7.355 -7.256 1.00 33.44 C ATOM 64 C GLY A 4 5.943 -7.451 -8.764 1.00 52.21 C ATOM 65 O GLY A 4 5.575 -6.482 -9.430 1.00 21.03 O ATOM 0 H GLY A 4 5.531 -5.339 -7.470 1.00 1.35 H new ATOM 0 HA2 GLY A 4 7.040 -7.709 -6.946 1.00 33.44 H new ATOM 0 HA3 GLY A 4 5.321 -8.015 -6.796 1.00 33.44 H new ATOM 69 N THR A 5 6.260 -8.622 -9.307 1.00 45.13 N ATOM 70 CA THR A 5 6.195 -8.840 -10.747 1.00 12.32 C ATOM 71 C THR A 5 4.750 -8.954 -11.220 1.00 64.03 C ATOM 72 O THR A 5 3.853 -9.270 -10.438 1.00 43.55 O ATOM 73 CB THR A 5 6.960 -10.112 -11.158 1.00 41.20 C ATOM 74 OG1 THR A 5 6.778 -11.133 -10.171 1.00 64.32 O ATOM 75 CG2 THR A 5 8.444 -9.820 -11.326 1.00 74.22 C ATOM 0 H THR A 5 6.565 -9.435 -8.771 1.00 45.13 H new ATOM 0 HA THR A 5 6.662 -7.976 -11.219 1.00 12.32 H new ATOM 0 HB THR A 5 6.563 -10.456 -12.113 1.00 41.20 H new ATOM 0 HG1 THR A 5 7.266 -11.939 -10.440 1.00 64.32 H new ATOM 0 HG21 THR A 5 8.964 -10.733 -11.616 1.00 74.22 H new ATOM 0 HG22 THR A 5 8.581 -9.063 -12.098 1.00 74.22 H new ATOM 0 HG23 THR A 5 8.852 -9.454 -10.384 1.00 74.22 H new ATOM 83 N VAL A 6 4.532 -8.696 -12.506 1.00 34.21 N ATOM 84 CA VAL A 6 3.195 -8.772 -13.084 1.00 64.13 C ATOM 85 C VAL A 6 2.960 -10.124 -13.748 1.00 33.34 C ATOM 86 O VAL A 6 3.755 -10.570 -14.575 1.00 4.02 O ATOM 87 CB VAL A 6 2.969 -7.657 -14.122 1.00 50.13 C ATOM 88 CG1 VAL A 6 3.840 -7.884 -15.349 1.00 34.03 C ATOM 89 CG2 VAL A 6 1.500 -7.579 -14.508 1.00 74.33 C ATOM 0 H VAL A 6 5.263 -8.433 -13.167 1.00 34.21 H new ATOM 0 HA VAL A 6 2.488 -8.645 -12.265 1.00 64.13 H new ATOM 0 HB VAL A 6 3.255 -6.705 -13.675 1.00 50.13 H new ATOM 0 HG11 VAL A 6 3.666 -7.086 -16.071 1.00 34.03 H new ATOM 0 HG12 VAL A 6 4.890 -7.885 -15.055 1.00 34.03 H new ATOM 0 HG13 VAL A 6 3.589 -8.843 -15.801 1.00 34.03 H new ATOM 0 HG21 VAL A 6 1.358 -6.786 -15.242 1.00 74.33 H new ATOM 0 HG22 VAL A 6 1.185 -8.531 -14.936 1.00 74.33 H new ATOM 0 HG23 VAL A 6 0.902 -7.365 -13.622 1.00 74.33 H new ATOM 99 N LYS A 7 1.860 -10.774 -13.380 1.00 5.11 N ATOM 100 CA LYS A 7 1.517 -12.076 -13.940 1.00 11.42 C ATOM 101 C LYS A 7 1.060 -11.941 -15.389 1.00 34.02 C ATOM 102 O LYS A 7 1.431 -12.745 -16.244 1.00 4.13 O ATOM 103 CB LYS A 7 0.418 -12.738 -13.106 1.00 73.24 C ATOM 104 CG LYS A 7 0.485 -14.256 -13.107 1.00 3.43 C ATOM 105 CD LYS A 7 -0.642 -14.864 -12.290 1.00 32.21 C ATOM 106 CE LYS A 7 -0.188 -15.203 -10.879 1.00 22.44 C ATOM 107 NZ LYS A 7 -0.250 -16.667 -10.613 1.00 30.34 N ATOM 0 H LYS A 7 1.191 -10.420 -12.696 1.00 5.11 H new ATOM 0 HA LYS A 7 2.409 -12.702 -13.916 1.00 11.42 H new ATOM 0 HB2 LYS A 7 0.488 -12.380 -12.079 1.00 73.24 H new ATOM 0 HB3 LYS A 7 -0.554 -12.425 -13.487 1.00 73.24 H new ATOM 0 HG2 LYS A 7 0.431 -14.623 -14.132 1.00 3.43 H new ATOM 0 HG3 LYS A 7 1.444 -14.579 -12.703 1.00 3.43 H new ATOM 0 HD2 LYS A 7 -1.478 -14.166 -12.246 1.00 32.21 H new ATOM 0 HD3 LYS A 7 -1.005 -15.766 -12.783 1.00 32.21 H new ATOM 0 HE2 LYS A 7 0.833 -14.850 -10.731 1.00 22.44 H new ATOM 0 HE3 LYS A 7 -0.815 -14.676 -10.159 1.00 22.44 H new ATOM 0 HZ1 LYS A 7 0.067 -16.857 -9.641 1.00 30.34 H new ATOM 0 HZ2 LYS A 7 -1.228 -17.000 -10.729 1.00 30.34 H new ATOM 0 HZ3 LYS A 7 0.368 -17.168 -11.283 1.00 30.34 H new ATOM 121 N TRP A 8 0.253 -10.921 -15.657 1.00 43.53 N ATOM 122 CA TRP A 8 -0.253 -10.681 -17.004 1.00 11.41 C ATOM 123 C TRP A 8 -0.993 -9.350 -17.078 1.00 15.21 C ATOM 124 O TRP A 8 -1.612 -8.917 -16.105 1.00 60.51 O ATOM 125 CB TRP A 8 -1.180 -11.819 -17.432 1.00 55.15 C ATOM 126 CG TRP A 8 -2.483 -11.835 -16.692 1.00 13.53 C ATOM 127 CD1 TRP A 8 -3.492 -10.918 -16.787 1.00 65.33 C ATOM 128 CD2 TRP A 8 -2.917 -12.813 -15.741 1.00 23.31 C ATOM 129 NE1 TRP A 8 -4.526 -11.269 -15.953 1.00 43.41 N ATOM 130 CE2 TRP A 8 -4.198 -12.428 -15.301 1.00 11.32 C ATOM 131 CE3 TRP A 8 -2.348 -13.979 -15.220 1.00 53.21 C ATOM 132 CZ2 TRP A 8 -4.917 -13.166 -14.365 1.00 22.44 C ATOM 133 CZ3 TRP A 8 -3.063 -14.711 -14.291 1.00 3.43 C ATOM 134 CH2 TRP A 8 -4.336 -14.303 -13.871 1.00 50.03 C ATOM 0 H TRP A 8 -0.065 -10.247 -14.960 1.00 43.53 H new ATOM 0 HA TRP A 8 0.598 -10.640 -17.684 1.00 11.41 H new ATOM 0 HB2 TRP A 8 -1.378 -11.734 -18.500 1.00 55.15 H new ATOM 0 HB3 TRP A 8 -0.671 -12.770 -17.277 1.00 55.15 H new ATOM 0 HD1 TRP A 8 -3.479 -10.046 -17.424 1.00 65.33 H new ATOM 0 HE1 TRP A 8 -5.397 -10.750 -15.838 1.00 43.41 H new ATOM 0 HE3 TRP A 8 -1.368 -14.302 -15.538 1.00 53.21 H new ATOM 0 HZ2 TRP A 8 -5.898 -12.853 -14.040 1.00 22.44 H new ATOM 0 HZ3 TRP A 8 -2.633 -15.613 -13.882 1.00 3.43 H new ATOM 0 HH2 TRP A 8 -4.869 -14.897 -13.143 1.00 50.03 H new ATOM 145 N PHE A 9 -0.927 -8.704 -18.238 1.00 21.24 N ATOM 146 CA PHE A 9 -1.591 -7.421 -18.438 1.00 21.44 C ATOM 147 C PHE A 9 -2.275 -7.370 -19.801 1.00 0.23 C ATOM 148 O PHE A 9 -1.617 -7.242 -20.832 1.00 53.34 O ATOM 149 CB PHE A 9 -0.583 -6.277 -18.317 1.00 3.12 C ATOM 150 CG PHE A 9 -1.223 -4.921 -18.230 1.00 42.21 C ATOM 151 CD1 PHE A 9 -1.576 -4.384 -17.003 1.00 3.14 C ATOM 152 CD2 PHE A 9 -1.472 -4.183 -19.376 1.00 61.34 C ATOM 153 CE1 PHE A 9 -2.165 -3.136 -16.919 1.00 64.13 C ATOM 154 CE2 PHE A 9 -2.060 -2.935 -19.299 1.00 70.02 C ATOM 155 CZ PHE A 9 -2.408 -2.411 -18.069 1.00 61.34 C ATOM 0 H PHE A 9 -0.420 -9.048 -19.054 1.00 21.24 H new ATOM 0 HA PHE A 9 -2.351 -7.309 -17.665 1.00 21.44 H new ATOM 0 HB2 PHE A 9 0.032 -6.437 -17.431 1.00 3.12 H new ATOM 0 HB3 PHE A 9 0.086 -6.300 -19.178 1.00 3.12 H new ATOM 0 HD1 PHE A 9 -1.389 -4.947 -16.101 1.00 3.14 H new ATOM 0 HD2 PHE A 9 -1.203 -4.588 -20.341 1.00 61.34 H new ATOM 0 HE1 PHE A 9 -2.435 -2.729 -15.956 1.00 64.13 H new ATOM 0 HE2 PHE A 9 -2.247 -2.370 -20.200 1.00 70.02 H new ATOM 0 HZ PHE A 9 -2.869 -1.436 -18.007 1.00 61.34 H new ATOM 165 N ASN A 10 -3.600 -7.471 -19.795 1.00 72.32 N ATOM 166 CA ASN A 10 -4.374 -7.437 -21.031 1.00 34.53 C ATOM 167 C ASN A 10 -4.781 -6.009 -21.379 1.00 12.22 C ATOM 168 O ASN A 10 -5.734 -5.470 -20.817 1.00 55.14 O ATOM 169 CB ASN A 10 -5.620 -8.317 -20.901 1.00 24.00 C ATOM 170 CG ASN A 10 -6.115 -8.820 -22.243 1.00 41.43 C ATOM 171 OD1 ASN A 10 -5.389 -9.497 -22.971 1.00 71.03 O ATOM 172 ND2 ASN A 10 -7.357 -8.489 -22.577 1.00 42.42 N ATOM 0 H ASN A 10 -4.160 -7.577 -18.949 1.00 72.32 H new ATOM 0 HA ASN A 10 -3.746 -7.823 -21.834 1.00 34.53 H new ATOM 0 HB2 ASN A 10 -5.395 -9.168 -20.258 1.00 24.00 H new ATOM 0 HB3 ASN A 10 -6.413 -7.750 -20.414 1.00 24.00 H new ATOM 0 HD21 ASN A 10 -7.745 -8.798 -23.468 1.00 42.42 H new ATOM 0 HD22 ASN A 10 -7.923 -7.926 -21.942 1.00 42.42 H new ATOM 179 N ALA A 11 -4.052 -5.402 -22.309 1.00 42.31 N ATOM 180 CA ALA A 11 -4.338 -4.037 -22.734 1.00 60.23 C ATOM 181 C ALA A 11 -5.655 -3.965 -23.500 1.00 63.50 C ATOM 182 O ALA A 11 -6.295 -2.916 -23.554 1.00 43.03 O ATOM 183 CB ALA A 11 -3.199 -3.501 -23.588 1.00 43.52 C ATOM 0 H ALA A 11 -3.259 -5.834 -22.783 1.00 42.31 H new ATOM 0 HA ALA A 11 -4.432 -3.417 -21.842 1.00 60.23 H new ATOM 0 HB1 ALA A 11 -3.426 -2.481 -23.898 1.00 43.52 H new ATOM 0 HB2 ALA A 11 -2.276 -3.507 -23.009 1.00 43.52 H new ATOM 0 HB3 ALA A 11 -3.078 -4.130 -24.470 1.00 43.52 H new ATOM 189 N GLU A 12 -6.052 -5.088 -24.091 1.00 35.13 N ATOM 190 CA GLU A 12 -7.293 -5.150 -24.855 1.00 21.43 C ATOM 191 C GLU A 12 -8.494 -4.837 -23.968 1.00 15.11 C ATOM 192 O GLU A 12 -9.448 -4.189 -24.400 1.00 41.14 O ATOM 193 CB GLU A 12 -7.459 -6.534 -25.487 1.00 52.45 C ATOM 194 CG GLU A 12 -6.644 -6.725 -26.755 1.00 51.04 C ATOM 195 CD GLU A 12 -6.486 -8.185 -27.133 1.00 34.12 C ATOM 196 OE1 GLU A 12 -6.589 -9.044 -26.232 1.00 71.42 O ATOM 197 OE2 GLU A 12 -6.260 -8.469 -28.328 1.00 11.44 O ATOM 0 H GLU A 12 -5.533 -5.966 -24.056 1.00 35.13 H new ATOM 0 HA GLU A 12 -7.242 -4.401 -25.645 1.00 21.43 H new ATOM 0 HB2 GLU A 12 -7.169 -7.293 -24.761 1.00 52.45 H new ATOM 0 HB3 GLU A 12 -8.513 -6.697 -25.714 1.00 52.45 H new ATOM 0 HG2 GLU A 12 -7.124 -6.191 -27.575 1.00 51.04 H new ATOM 0 HG3 GLU A 12 -5.658 -6.280 -26.619 1.00 51.04 H new ATOM 204 N LYS A 13 -8.442 -5.302 -22.724 1.00 41.04 N ATOM 205 CA LYS A 13 -9.524 -5.072 -21.775 1.00 21.04 C ATOM 206 C LYS A 13 -9.185 -3.922 -20.831 1.00 62.33 C ATOM 207 O LYS A 13 -10.047 -3.115 -20.486 1.00 45.01 O ATOM 208 CB LYS A 13 -9.801 -6.343 -20.968 1.00 2.21 C ATOM 209 CG LYS A 13 -10.582 -7.393 -21.737 1.00 73.54 C ATOM 210 CD LYS A 13 -11.959 -6.886 -22.132 1.00 71.24 C ATOM 211 CE LYS A 13 -12.976 -8.016 -22.184 1.00 21.33 C ATOM 212 NZ LYS A 13 -12.879 -8.792 -23.451 1.00 74.11 N ATOM 0 H LYS A 13 -7.661 -5.841 -22.350 1.00 41.04 H new ATOM 0 HA LYS A 13 -10.418 -4.805 -22.339 1.00 21.04 H new ATOM 0 HB2 LYS A 13 -8.853 -6.772 -20.645 1.00 2.21 H new ATOM 0 HB3 LYS A 13 -10.354 -6.078 -20.067 1.00 2.21 H new ATOM 0 HG2 LYS A 13 -10.028 -7.677 -22.631 1.00 73.54 H new ATOM 0 HG3 LYS A 13 -10.685 -8.290 -21.127 1.00 73.54 H new ATOM 0 HD2 LYS A 13 -12.289 -6.131 -21.418 1.00 71.24 H new ATOM 0 HD3 LYS A 13 -11.903 -6.400 -23.106 1.00 71.24 H new ATOM 0 HE2 LYS A 13 -12.821 -8.684 -21.337 1.00 21.33 H new ATOM 0 HE3 LYS A 13 -13.981 -7.605 -22.086 1.00 21.33 H new ATOM 0 HZ1 LYS A 13 -13.588 -9.553 -23.447 1.00 74.11 H new ATOM 0 HZ2 LYS A 13 -13.052 -8.161 -24.259 1.00 74.11 H new ATOM 0 HZ3 LYS A 13 -11.928 -9.206 -23.533 1.00 74.11 H new ATOM 226 N GLY A 14 -7.923 -3.854 -20.419 1.00 4.43 N ATOM 227 CA GLY A 14 -7.492 -2.798 -19.520 1.00 72.24 C ATOM 228 C GLY A 14 -7.397 -3.265 -18.081 1.00 51.43 C ATOM 229 O GLY A 14 -7.733 -2.523 -17.158 1.00 31.14 O ATOM 0 H GLY A 14 -7.191 -4.511 -20.691 1.00 4.43 H new ATOM 0 HA2 GLY A 14 -6.520 -2.425 -19.843 1.00 72.24 H new ATOM 0 HA3 GLY A 14 -8.191 -1.964 -19.583 1.00 72.24 H new ATOM 233 N TYR A 15 -6.940 -4.497 -17.890 1.00 1.14 N ATOM 234 CA TYR A 15 -6.806 -5.063 -16.553 1.00 2.04 C ATOM 235 C TYR A 15 -5.583 -5.972 -16.466 1.00 14.31 C ATOM 236 O TYR A 15 -4.969 -6.304 -17.479 1.00 11.52 O ATOM 237 CB TYR A 15 -8.065 -5.847 -16.179 1.00 12.41 C ATOM 238 CG TYR A 15 -8.150 -7.206 -16.836 1.00 50.42 C ATOM 239 CD1 TYR A 15 -8.191 -7.329 -18.219 1.00 73.04 C ATOM 240 CD2 TYR A 15 -8.188 -8.367 -16.074 1.00 1.55 C ATOM 241 CE1 TYR A 15 -8.270 -8.569 -18.824 1.00 4.31 C ATOM 242 CE2 TYR A 15 -8.265 -9.611 -16.669 1.00 43.55 C ATOM 243 CZ TYR A 15 -8.306 -9.706 -18.045 1.00 22.32 C ATOM 244 OH TYR A 15 -8.382 -10.943 -18.643 1.00 74.12 O ATOM 0 H TYR A 15 -6.656 -5.123 -18.644 1.00 1.14 H new ATOM 0 HA TYR A 15 -6.676 -4.240 -15.850 1.00 2.04 H new ATOM 0 HB2 TYR A 15 -8.096 -5.973 -15.097 1.00 12.41 H new ATOM 0 HB3 TYR A 15 -8.942 -5.263 -16.457 1.00 12.41 H new ATOM 0 HD1 TYR A 15 -8.161 -6.440 -18.832 1.00 73.04 H new ATOM 0 HD2 TYR A 15 -8.157 -8.295 -14.997 1.00 1.55 H new ATOM 0 HE1 TYR A 15 -8.303 -8.647 -19.901 1.00 4.31 H new ATOM 0 HE2 TYR A 15 -8.293 -10.503 -16.061 1.00 43.55 H new ATOM 0 HH TYR A 15 -8.397 -11.639 -17.954 1.00 74.12 H new ATOM 254 N GLY A 16 -5.236 -6.372 -15.246 1.00 55.41 N ATOM 255 CA GLY A 16 -4.090 -7.239 -15.048 1.00 2.43 C ATOM 256 C GLY A 16 -3.958 -7.706 -13.612 1.00 21.21 C ATOM 257 O GLY A 16 -4.768 -7.347 -12.757 1.00 54.04 O ATOM 0 H GLY A 16 -5.728 -6.111 -14.392 1.00 55.41 H new ATOM 0 HA2 GLY A 16 -4.177 -8.106 -15.702 1.00 2.43 H new ATOM 0 HA3 GLY A 16 -3.183 -6.710 -15.340 1.00 2.43 H new ATOM 261 N PHE A 17 -2.935 -8.511 -13.345 1.00 61.20 N ATOM 262 CA PHE A 17 -2.701 -9.031 -12.003 1.00 32.22 C ATOM 263 C PHE A 17 -1.222 -8.949 -11.638 1.00 21.23 C ATOM 264 O PHE A 17 -0.351 -9.209 -12.469 1.00 33.11 O ATOM 265 CB PHE A 17 -3.183 -10.480 -11.903 1.00 71.01 C ATOM 266 CG PHE A 17 -4.678 -10.612 -11.853 1.00 34.31 C ATOM 267 CD1 PHE A 17 -5.449 -10.342 -12.972 1.00 41.23 C ATOM 268 CD2 PHE A 17 -5.313 -11.007 -10.687 1.00 34.54 C ATOM 269 CE1 PHE A 17 -6.825 -10.462 -12.928 1.00 51.04 C ATOM 270 CE2 PHE A 17 -6.689 -11.130 -10.637 1.00 13.21 C ATOM 271 CZ PHE A 17 -7.446 -10.858 -11.760 1.00 1.33 C ATOM 0 H PHE A 17 -2.255 -8.817 -14.040 1.00 61.20 H new ATOM 0 HA PHE A 17 -3.265 -8.418 -11.300 1.00 32.22 H new ATOM 0 HB2 PHE A 17 -2.805 -11.040 -12.758 1.00 71.01 H new ATOM 0 HB3 PHE A 17 -2.756 -10.936 -11.010 1.00 71.01 H new ATOM 0 HD1 PHE A 17 -4.969 -10.034 -13.889 1.00 41.23 H new ATOM 0 HD2 PHE A 17 -4.726 -11.221 -9.806 1.00 34.54 H new ATOM 0 HE1 PHE A 17 -7.414 -10.246 -13.807 1.00 51.04 H new ATOM 0 HE2 PHE A 17 -7.171 -11.438 -9.721 1.00 13.21 H new ATOM 0 HZ PHE A 17 -8.521 -10.955 -11.725 1.00 1.33 H new ATOM 281 N ILE A 18 -0.946 -8.586 -10.390 1.00 0.32 N ATOM 282 CA ILE A 18 0.427 -8.470 -9.914 1.00 40.23 C ATOM 283 C ILE A 18 0.690 -9.426 -8.756 1.00 62.00 C ATOM 284 O ILE A 18 -0.144 -9.579 -7.864 1.00 24.30 O ATOM 285 CB ILE A 18 0.747 -7.033 -9.462 1.00 14.23 C ATOM 286 CG1 ILE A 18 0.529 -6.051 -10.615 1.00 35.11 C ATOM 287 CG2 ILE A 18 2.176 -6.945 -8.947 1.00 54.02 C ATOM 288 CD1 ILE A 18 0.141 -4.661 -10.160 1.00 63.34 C ATOM 0 H ILE A 18 -1.655 -8.367 -9.690 1.00 0.32 H new ATOM 0 HA ILE A 18 1.074 -8.731 -10.751 1.00 40.23 H new ATOM 0 HB ILE A 18 0.072 -6.765 -8.649 1.00 14.23 H new ATOM 0 HG12 ILE A 18 1.442 -5.989 -11.206 1.00 35.11 H new ATOM 0 HG13 ILE A 18 -0.250 -6.440 -11.271 1.00 35.11 H new ATOM 0 HG21 ILE A 18 2.387 -5.923 -8.631 1.00 54.02 H new ATOM 0 HG22 ILE A 18 2.300 -7.619 -8.100 1.00 54.02 H new ATOM 0 HG23 ILE A 18 2.867 -7.229 -9.741 1.00 54.02 H new ATOM 0 HD11 ILE A 18 0.003 -4.019 -11.030 1.00 63.34 H new ATOM 0 HD12 ILE A 18 -0.789 -4.710 -9.594 1.00 63.34 H new ATOM 0 HD13 ILE A 18 0.929 -4.252 -9.528 1.00 63.34 H new ATOM 300 N GLN A 19 1.855 -10.065 -8.776 1.00 45.05 N ATOM 301 CA GLN A 19 2.229 -11.006 -7.727 1.00 12.43 C ATOM 302 C GLN A 19 3.294 -10.408 -6.814 1.00 0.44 C ATOM 303 O GLN A 19 4.358 -9.994 -7.274 1.00 72.31 O ATOM 304 CB GLN A 19 2.740 -12.310 -8.340 1.00 70.41 C ATOM 305 CG GLN A 19 1.881 -12.821 -9.486 1.00 24.42 C ATOM 306 CD GLN A 19 0.398 -12.743 -9.183 1.00 70.23 C ATOM 307 OE1 GLN A 19 -0.113 -13.470 -8.331 1.00 24.05 O ATOM 308 NE2 GLN A 19 -0.303 -11.858 -9.882 1.00 72.44 N ATOM 0 H GLN A 19 2.556 -9.948 -9.507 1.00 45.05 H new ATOM 0 HA GLN A 19 1.342 -11.217 -7.130 1.00 12.43 H new ATOM 0 HB2 GLN A 19 3.758 -12.159 -8.699 1.00 70.41 H new ATOM 0 HB3 GLN A 19 2.786 -13.073 -7.563 1.00 70.41 H new ATOM 0 HG2 GLN A 19 2.096 -12.240 -10.383 1.00 24.42 H new ATOM 0 HG3 GLN A 19 2.150 -13.855 -9.704 1.00 24.42 H new ATOM 0 HE21 GLN A 19 0.161 -11.275 -10.579 1.00 72.44 H new ATOM 0 HE22 GLN A 19 -1.306 -11.761 -9.722 1.00 72.44 H new ATOM 317 N GLN A 20 3.000 -10.365 -5.518 1.00 52.12 N ATOM 318 CA GLN A 20 3.933 -9.816 -4.541 1.00 73.12 C ATOM 319 C GLN A 20 4.559 -10.926 -3.703 1.00 61.04 C ATOM 320 O GLN A 20 4.377 -12.109 -3.989 1.00 21.03 O ATOM 321 CB GLN A 20 3.220 -8.814 -3.631 1.00 62.21 C ATOM 322 CG GLN A 20 2.155 -9.445 -2.748 1.00 42.33 C ATOM 323 CD GLN A 20 0.779 -9.417 -3.384 1.00 22.42 C ATOM 324 OE1 GLN A 20 0.528 -10.100 -4.377 1.00 33.50 O ATOM 325 NE2 GLN A 20 -0.121 -8.626 -2.813 1.00 12.30 N ATOM 0 H GLN A 20 2.124 -10.704 -5.121 1.00 52.12 H new ATOM 0 HA GLN A 20 4.727 -9.303 -5.083 1.00 73.12 H new ATOM 0 HB2 GLN A 20 3.958 -8.320 -2.999 1.00 62.21 H new ATOM 0 HB3 GLN A 20 2.759 -8.041 -4.246 1.00 62.21 H new ATOM 0 HG2 GLN A 20 2.431 -10.477 -2.533 1.00 42.33 H new ATOM 0 HG3 GLN A 20 2.121 -8.919 -1.794 1.00 42.33 H new ATOM 0 HE21 GLN A 20 0.131 -8.077 -1.991 1.00 12.30 H new ATOM 0 HE22 GLN A 20 -1.064 -8.567 -3.196 1.00 12.30 H new ATOM 334 N GLU A 21 5.297 -10.535 -2.669 1.00 64.32 N ATOM 335 CA GLU A 21 5.951 -11.498 -1.791 1.00 64.52 C ATOM 336 C GLU A 21 4.929 -12.221 -0.919 1.00 1.15 C ATOM 337 O GLU A 21 5.176 -13.329 -0.444 1.00 42.10 O ATOM 338 CB GLU A 21 6.986 -10.797 -0.909 1.00 64.11 C ATOM 339 CG GLU A 21 8.113 -10.146 -1.693 1.00 42.22 C ATOM 340 CD GLU A 21 9.159 -11.144 -2.150 1.00 72.25 C ATOM 341 OE1 GLU A 21 9.412 -12.118 -1.411 1.00 32.23 O ATOM 342 OE2 GLU A 21 9.724 -10.952 -3.247 1.00 41.11 O ATOM 0 H GLU A 21 5.457 -9.559 -2.419 1.00 64.32 H new ATOM 0 HA GLU A 21 6.456 -12.235 -2.415 1.00 64.52 H new ATOM 0 HB2 GLU A 21 6.485 -10.037 -0.310 1.00 64.11 H new ATOM 0 HB3 GLU A 21 7.410 -11.522 -0.214 1.00 64.11 H new ATOM 0 HG2 GLU A 21 7.698 -9.636 -2.563 1.00 42.22 H new ATOM 0 HG3 GLU A 21 8.588 -9.385 -1.074 1.00 42.22 H new ATOM 349 N GLU A 22 3.781 -11.584 -0.712 1.00 12.33 N ATOM 350 CA GLU A 22 2.722 -12.165 0.105 1.00 72.01 C ATOM 351 C GLU A 22 2.378 -13.573 -0.372 1.00 74.11 C ATOM 352 O GLU A 22 2.740 -14.562 0.264 1.00 10.31 O ATOM 353 CB GLU A 22 1.473 -11.282 0.065 1.00 41.44 C ATOM 354 CG GLU A 22 1.648 -9.948 0.771 1.00 31.04 C ATOM 355 CD GLU A 22 2.344 -10.085 2.112 1.00 54.12 C ATOM 356 OE1 GLU A 22 1.725 -10.631 3.049 1.00 12.51 O ATOM 357 OE2 GLU A 22 3.508 -9.646 2.223 1.00 73.31 O ATOM 0 H GLU A 22 3.561 -10.666 -1.098 1.00 12.33 H new ATOM 0 HA GLU A 22 3.082 -12.225 1.132 1.00 72.01 H new ATOM 0 HB2 GLU A 22 1.200 -11.100 -0.974 1.00 41.44 H new ATOM 0 HB3 GLU A 22 0.643 -11.820 0.523 1.00 41.44 H new ATOM 0 HG2 GLU A 22 2.224 -9.277 0.134 1.00 31.04 H new ATOM 0 HG3 GLU A 22 0.671 -9.488 0.918 1.00 31.04 H new ATOM 364 N GLY A 23 1.674 -13.655 -1.498 1.00 22.14 N ATOM 365 CA GLY A 23 1.292 -14.945 -2.041 1.00 72.20 C ATOM 366 C GLY A 23 0.250 -14.827 -3.135 1.00 74.53 C ATOM 367 O GLY A 23 0.507 -15.127 -4.302 1.00 15.43 O ATOM 0 H GLY A 23 1.362 -12.851 -2.043 1.00 22.14 H new ATOM 0 HA2 GLY A 23 2.176 -15.445 -2.437 1.00 72.20 H new ATOM 0 HA3 GLY A 23 0.903 -15.573 -1.239 1.00 72.20 H new ATOM 371 N PRO A 24 -0.960 -14.384 -2.761 1.00 44.40 N ATOM 372 CA PRO A 24 -2.069 -14.218 -3.705 1.00 31.24 C ATOM 373 C PRO A 24 -1.838 -13.065 -4.675 1.00 2.21 C ATOM 374 O PRO A 24 -0.969 -12.221 -4.455 1.00 10.22 O ATOM 375 CB PRO A 24 -3.265 -13.922 -2.797 1.00 15.30 C ATOM 376 CG PRO A 24 -2.669 -13.335 -1.564 1.00 74.21 C ATOM 377 CD PRO A 24 -1.336 -14.009 -1.388 1.00 15.42 C ATOM 0 HA PRO A 24 -2.202 -15.097 -4.336 1.00 31.24 H new ATOM 0 HB2 PRO A 24 -3.959 -13.228 -3.270 1.00 15.30 H new ATOM 0 HB3 PRO A 24 -3.826 -14.829 -2.572 1.00 15.30 H new ATOM 0 HG2 PRO A 24 -2.551 -12.256 -1.663 1.00 74.21 H new ATOM 0 HG3 PRO A 24 -3.311 -13.507 -0.700 1.00 74.21 H new ATOM 0 HD2 PRO A 24 -0.603 -13.339 -0.939 1.00 15.42 H new ATOM 0 HD3 PRO A 24 -1.409 -14.882 -0.739 1.00 15.42 H new ATOM 385 N ASP A 25 -2.620 -13.035 -5.748 1.00 14.31 N ATOM 386 CA ASP A 25 -2.502 -11.983 -6.752 1.00 23.34 C ATOM 387 C ASP A 25 -3.260 -10.732 -6.320 1.00 75.22 C ATOM 388 O ASP A 25 -3.775 -10.659 -5.204 1.00 73.43 O ATOM 389 CB ASP A 25 -3.029 -12.475 -8.101 1.00 4.23 C ATOM 390 CG ASP A 25 -4.460 -12.968 -8.018 1.00 62.03 C ATOM 391 OD1 ASP A 25 -5.329 -12.194 -7.564 1.00 72.54 O ATOM 392 OD2 ASP A 25 -4.711 -14.127 -8.409 1.00 22.24 O ATOM 0 H ASP A 25 -3.343 -13.727 -5.946 1.00 14.31 H new ATOM 0 HA ASP A 25 -1.447 -11.729 -6.854 1.00 23.34 H new ATOM 0 HB2 ASP A 25 -2.968 -11.666 -8.829 1.00 4.23 H new ATOM 0 HB3 ASP A 25 -2.391 -13.280 -8.465 1.00 4.23 H new ATOM 397 N VAL A 26 -3.325 -9.748 -7.212 1.00 23.32 N ATOM 398 CA VAL A 26 -4.020 -8.500 -6.924 1.00 14.22 C ATOM 399 C VAL A 26 -4.802 -8.013 -8.139 1.00 43.00 C ATOM 400 O VAL A 26 -4.432 -8.290 -9.280 1.00 63.12 O ATOM 401 CB VAL A 26 -3.038 -7.398 -6.484 1.00 23.30 C ATOM 402 CG1 VAL A 26 -2.620 -6.549 -7.675 1.00 24.04 C ATOM 403 CG2 VAL A 26 -3.657 -6.536 -5.395 1.00 14.12 C ATOM 0 H VAL A 26 -2.904 -9.792 -8.140 1.00 23.32 H new ATOM 0 HA VAL A 26 -4.713 -8.705 -6.108 1.00 14.22 H new ATOM 0 HB VAL A 26 -2.146 -7.873 -6.076 1.00 23.30 H new ATOM 0 HG11 VAL A 26 -1.926 -5.776 -7.345 1.00 24.04 H new ATOM 0 HG12 VAL A 26 -2.133 -7.180 -8.419 1.00 24.04 H new ATOM 0 HG13 VAL A 26 -3.501 -6.082 -8.116 1.00 24.04 H new ATOM 0 HG21 VAL A 26 -2.949 -5.763 -5.097 1.00 14.12 H new ATOM 0 HG22 VAL A 26 -4.566 -6.069 -5.774 1.00 14.12 H new ATOM 0 HG23 VAL A 26 -3.900 -7.158 -4.533 1.00 14.12 H new ATOM 413 N PHE A 27 -5.885 -7.285 -7.887 1.00 25.23 N ATOM 414 CA PHE A 27 -6.719 -6.759 -8.960 1.00 75.33 C ATOM 415 C PHE A 27 -6.210 -5.400 -9.429 1.00 42.44 C ATOM 416 O PHE A 27 -6.229 -4.424 -8.679 1.00 31.03 O ATOM 417 CB PHE A 27 -8.172 -6.639 -8.493 1.00 44.15 C ATOM 418 CG PHE A 27 -9.174 -6.964 -9.564 1.00 32.05 C ATOM 419 CD1 PHE A 27 -9.570 -8.273 -9.786 1.00 31.02 C ATOM 420 CD2 PHE A 27 -9.720 -5.961 -10.348 1.00 13.44 C ATOM 421 CE1 PHE A 27 -10.493 -8.576 -10.769 1.00 42.34 C ATOM 422 CE2 PHE A 27 -10.644 -6.257 -11.332 1.00 64.13 C ATOM 423 CZ PHE A 27 -11.029 -7.566 -11.544 1.00 74.34 C ATOM 0 H PHE A 27 -6.205 -7.046 -6.948 1.00 25.23 H new ATOM 0 HA PHE A 27 -6.670 -7.454 -9.798 1.00 75.33 H new ATOM 0 HB2 PHE A 27 -8.329 -7.306 -7.645 1.00 44.15 H new ATOM 0 HB3 PHE A 27 -8.348 -5.624 -8.137 1.00 44.15 H new ATOM 0 HD1 PHE A 27 -9.152 -9.066 -9.184 1.00 31.02 H new ATOM 0 HD2 PHE A 27 -9.420 -4.936 -10.188 1.00 13.44 H new ATOM 0 HE1 PHE A 27 -10.795 -9.600 -10.931 1.00 42.34 H new ATOM 0 HE2 PHE A 27 -11.065 -5.465 -11.934 1.00 64.13 H new ATOM 0 HZ PHE A 27 -11.748 -7.800 -12.315 1.00 74.34 H new ATOM 433 N VAL A 28 -5.753 -5.343 -10.677 1.00 34.44 N ATOM 434 CA VAL A 28 -5.239 -4.104 -11.247 1.00 62.43 C ATOM 435 C VAL A 28 -5.996 -3.727 -12.516 1.00 21.53 C ATOM 436 O VAL A 28 -6.420 -4.595 -13.279 1.00 74.34 O ATOM 437 CB VAL A 28 -3.738 -4.218 -11.573 1.00 44.50 C ATOM 438 CG1 VAL A 28 -3.098 -5.336 -10.765 1.00 35.33 C ATOM 439 CG2 VAL A 28 -3.532 -4.441 -13.064 1.00 3.24 C ATOM 0 H VAL A 28 -5.729 -6.141 -11.312 1.00 34.44 H new ATOM 0 HA VAL A 28 -5.383 -3.326 -10.497 1.00 62.43 H new ATOM 0 HB VAL A 28 -3.253 -3.281 -11.298 1.00 44.50 H new ATOM 0 HG11 VAL A 28 -2.038 -5.401 -11.009 1.00 35.33 H new ATOM 0 HG12 VAL A 28 -3.213 -5.128 -9.701 1.00 35.33 H new ATOM 0 HG13 VAL A 28 -3.584 -6.282 -11.004 1.00 35.33 H new ATOM 0 HG21 VAL A 28 -2.466 -4.519 -13.276 1.00 3.24 H new ATOM 0 HG22 VAL A 28 -4.031 -5.362 -13.366 1.00 3.24 H new ATOM 0 HG23 VAL A 28 -3.952 -3.602 -13.619 1.00 3.24 H new ATOM 449 N HIS A 29 -6.162 -2.427 -12.735 1.00 44.11 N ATOM 450 CA HIS A 29 -6.867 -1.934 -13.913 1.00 31.12 C ATOM 451 C HIS A 29 -6.252 -0.629 -14.408 1.00 43.20 C ATOM 452 O HIS A 29 -5.554 0.062 -13.665 1.00 32.11 O ATOM 453 CB HIS A 29 -8.348 -1.725 -13.596 1.00 32.33 C ATOM 454 CG HIS A 29 -9.214 -2.882 -13.989 1.00 62.41 C ATOM 455 ND1 HIS A 29 -10.148 -2.814 -15.001 1.00 13.42 N ATOM 456 CD2 HIS A 29 -9.282 -4.143 -13.501 1.00 63.34 C ATOM 457 CE1 HIS A 29 -10.755 -3.981 -15.117 1.00 63.42 C ATOM 458 NE2 HIS A 29 -10.247 -4.806 -14.219 1.00 61.01 N ATOM 0 H HIS A 29 -5.818 -1.696 -12.113 1.00 44.11 H new ATOM 0 HA HIS A 29 -6.773 -2.681 -14.701 1.00 31.12 H new ATOM 0 HB2 HIS A 29 -8.460 -1.545 -12.527 1.00 32.33 H new ATOM 0 HB3 HIS A 29 -8.698 -0.829 -14.109 1.00 32.33 H new ATOM 0 HD2 HIS A 29 -8.688 -4.552 -12.697 1.00 63.34 H new ATOM 0 HE1 HIS A 29 -11.534 -4.220 -15.826 1.00 63.42 H new ATOM 0 HE2 HIS A 29 -10.526 -5.777 -14.081 1.00 61.01 H new ATOM 466 N PHE A 30 -6.514 -0.297 -15.668 1.00 30.21 N ATOM 467 CA PHE A 30 -5.985 0.924 -16.263 1.00 44.30 C ATOM 468 C PHE A 30 -6.496 2.156 -15.522 1.00 53.33 C ATOM 469 O PHE A 30 -5.936 3.246 -15.644 1.00 52.44 O ATOM 470 CB PHE A 30 -6.372 1.006 -17.741 1.00 12.41 C ATOM 471 CG PHE A 30 -7.795 1.434 -17.965 1.00 5.02 C ATOM 472 CD1 PHE A 30 -8.844 0.578 -17.670 1.00 4.32 C ATOM 473 CD2 PHE A 30 -8.082 2.692 -18.470 1.00 34.34 C ATOM 474 CE1 PHE A 30 -10.153 0.969 -17.876 1.00 12.24 C ATOM 475 CE2 PHE A 30 -9.390 3.088 -18.677 1.00 52.32 C ATOM 476 CZ PHE A 30 -10.427 2.226 -18.379 1.00 1.13 C ATOM 0 H PHE A 30 -7.090 -0.857 -16.297 1.00 30.21 H new ATOM 0 HA PHE A 30 -4.898 0.897 -16.181 1.00 44.30 H new ATOM 0 HB2 PHE A 30 -5.706 1.707 -18.244 1.00 12.41 H new ATOM 0 HB3 PHE A 30 -6.217 0.031 -18.204 1.00 12.41 H new ATOM 0 HD1 PHE A 30 -8.636 -0.405 -17.275 1.00 4.32 H new ATOM 0 HD2 PHE A 30 -7.275 3.370 -18.704 1.00 34.34 H new ATOM 0 HE1 PHE A 30 -10.962 0.292 -17.644 1.00 12.24 H new ATOM 0 HE2 PHE A 30 -9.601 4.071 -19.072 1.00 52.32 H new ATOM 0 HZ PHE A 30 -11.450 2.534 -18.539 1.00 1.13 H new ATOM 486 N THR A 31 -7.566 1.976 -14.753 1.00 64.52 N ATOM 487 CA THR A 31 -8.155 3.071 -13.994 1.00 20.01 C ATOM 488 C THR A 31 -7.463 3.241 -12.646 1.00 62.24 C ATOM 489 O THR A 31 -7.889 4.042 -11.816 1.00 11.34 O ATOM 490 CB THR A 31 -9.661 2.846 -13.760 1.00 2.10 C ATOM 491 OG1 THR A 31 -10.219 3.961 -13.055 1.00 61.33 O ATOM 492 CG2 THR A 31 -9.901 1.568 -12.970 1.00 42.40 C ATOM 0 H THR A 31 -8.042 1.081 -14.640 1.00 64.52 H new ATOM 0 HA THR A 31 -8.018 3.976 -14.586 1.00 20.01 H new ATOM 0 HB THR A 31 -10.147 2.751 -14.731 1.00 2.10 H new ATOM 0 HG1 THR A 31 -9.592 4.257 -12.363 1.00 61.33 H new ATOM 0 HG21 THR A 31 -10.971 1.430 -12.817 1.00 42.40 H new ATOM 0 HG22 THR A 31 -9.501 0.718 -13.523 1.00 42.40 H new ATOM 0 HG23 THR A 31 -9.403 1.639 -12.003 1.00 42.40 H new ATOM 500 N ALA A 32 -6.392 2.482 -12.436 1.00 72.35 N ATOM 501 CA ALA A 32 -5.639 2.551 -11.190 1.00 73.33 C ATOM 502 C ALA A 32 -4.157 2.787 -11.457 1.00 64.31 C ATOM 503 O ALA A 32 -3.469 3.434 -10.666 1.00 75.13 O ATOM 504 CB ALA A 32 -5.836 1.276 -10.384 1.00 31.25 C ATOM 0 H ALA A 32 -6.027 1.812 -13.113 1.00 72.35 H new ATOM 0 HA ALA A 32 -6.016 3.395 -10.612 1.00 73.33 H new ATOM 0 HB1 ALA A 32 -5.268 1.341 -9.456 1.00 31.25 H new ATOM 0 HB2 ALA A 32 -6.894 1.151 -10.154 1.00 31.25 H new ATOM 0 HB3 ALA A 32 -5.487 0.421 -10.964 1.00 31.25 H new ATOM 510 N ILE A 33 -3.670 2.258 -12.574 1.00 62.54 N ATOM 511 CA ILE A 33 -2.268 2.411 -12.945 1.00 14.55 C ATOM 512 C ILE A 33 -1.839 3.873 -12.875 1.00 23.12 C ATOM 513 O ILE A 33 -2.481 4.747 -13.457 1.00 24.35 O ATOM 514 CB ILE A 33 -1.999 1.876 -14.363 1.00 63.01 C ATOM 515 CG1 ILE A 33 -2.196 0.359 -14.405 1.00 41.24 C ATOM 516 CG2 ILE A 33 -0.592 2.245 -14.810 1.00 51.32 C ATOM 517 CD1 ILE A 33 -2.623 -0.157 -15.762 1.00 24.14 C ATOM 0 H ILE A 33 -4.226 1.719 -13.239 1.00 62.54 H new ATOM 0 HA ILE A 33 -1.686 1.829 -12.230 1.00 14.55 H new ATOM 0 HB ILE A 33 -2.710 2.335 -15.050 1.00 63.01 H new ATOM 0 HG12 ILE A 33 -1.265 -0.128 -14.116 1.00 41.24 H new ATOM 0 HG13 ILE A 33 -2.946 0.077 -13.666 1.00 41.24 H new ATOM 0 HG21 ILE A 33 -0.417 1.860 -15.814 1.00 51.32 H new ATOM 0 HG22 ILE A 33 -0.484 3.330 -14.813 1.00 51.32 H new ATOM 0 HG23 ILE A 33 0.134 1.810 -14.123 1.00 51.32 H new ATOM 0 HD11 ILE A 33 -2.744 -1.239 -15.718 1.00 24.14 H new ATOM 0 HD12 ILE A 33 -3.570 0.303 -16.045 1.00 24.14 H new ATOM 0 HD13 ILE A 33 -1.863 0.094 -16.502 1.00 24.14 H new ATOM 529 N GLU A 34 -0.748 4.130 -12.160 1.00 64.11 N ATOM 530 CA GLU A 34 -0.232 5.486 -12.016 1.00 3.14 C ATOM 531 C GLU A 34 1.068 5.660 -12.797 1.00 13.04 C ATOM 532 O GLU A 34 2.157 5.440 -12.267 1.00 54.31 O ATOM 533 CB GLU A 34 0.000 5.813 -10.539 1.00 24.41 C ATOM 534 CG GLU A 34 -1.225 5.594 -9.667 1.00 62.23 C ATOM 535 CD GLU A 34 -1.750 6.883 -9.066 1.00 34.33 C ATOM 536 OE1 GLU A 34 -0.925 7.742 -8.691 1.00 22.43 O ATOM 537 OE2 GLU A 34 -2.986 7.033 -8.970 1.00 33.54 O ATOM 0 H GLU A 34 -0.205 3.418 -11.672 1.00 64.11 H new ATOM 0 HA GLU A 34 -0.974 6.174 -12.421 1.00 3.14 H new ATOM 0 HB2 GLU A 34 0.818 5.198 -10.163 1.00 24.41 H new ATOM 0 HB3 GLU A 34 0.317 6.852 -10.451 1.00 24.41 H new ATOM 0 HG2 GLU A 34 -2.011 5.128 -10.261 1.00 62.23 H new ATOM 0 HG3 GLU A 34 -0.976 4.898 -8.865 1.00 62.23 H new ATOM 544 N ALA A 35 0.944 6.056 -14.059 1.00 72.54 N ATOM 545 CA ALA A 35 2.107 6.260 -14.913 1.00 41.53 C ATOM 546 C ALA A 35 2.067 7.634 -15.575 1.00 23.20 C ATOM 547 O ALA A 35 1.108 8.387 -15.406 1.00 4.20 O ATOM 548 CB ALA A 35 2.187 5.167 -15.968 1.00 30.52 C ATOM 0 H ALA A 35 0.050 6.242 -14.513 1.00 72.54 H new ATOM 0 HA ALA A 35 2.998 6.211 -14.288 1.00 41.53 H new ATOM 0 HB1 ALA A 35 3.061 5.333 -16.598 1.00 30.52 H new ATOM 0 HB2 ALA A 35 2.271 4.196 -15.480 1.00 30.52 H new ATOM 0 HB3 ALA A 35 1.287 5.188 -16.583 1.00 30.52 H new ATOM 554 N ASP A 36 3.114 7.953 -16.328 1.00 3.14 N ATOM 555 CA ASP A 36 3.199 9.236 -17.015 1.00 53.42 C ATOM 556 C ASP A 36 3.062 9.055 -18.524 1.00 34.43 C ATOM 557 O ASP A 36 4.048 9.105 -19.257 1.00 53.24 O ATOM 558 CB ASP A 36 4.524 9.927 -16.691 1.00 23.14 C ATOM 559 CG ASP A 36 4.398 10.916 -15.548 1.00 75.44 C ATOM 560 OD1 ASP A 36 3.912 12.041 -15.788 1.00 74.14 O ATOM 561 OD2 ASP A 36 4.783 10.564 -14.414 1.00 64.22 O ATOM 0 H ASP A 36 3.916 7.340 -16.478 1.00 3.14 H new ATOM 0 HA ASP A 36 2.377 9.861 -16.665 1.00 53.42 H new ATOM 0 HB2 ASP A 36 5.270 9.174 -16.436 1.00 23.14 H new ATOM 0 HB3 ASP A 36 4.886 10.446 -17.578 1.00 23.14 H new ATOM 566 N GLY A 37 1.831 8.842 -18.980 1.00 32.43 N ATOM 567 CA GLY A 37 1.587 8.654 -20.398 1.00 44.20 C ATOM 568 C GLY A 37 0.821 7.379 -20.691 1.00 44.54 C ATOM 569 O GLY A 37 -0.139 7.050 -19.995 1.00 73.34 O ATOM 0 H GLY A 37 0.999 8.796 -18.392 1.00 32.43 H new ATOM 0 HA2 GLY A 37 1.028 9.507 -20.783 1.00 44.20 H new ATOM 0 HA3 GLY A 37 2.539 8.632 -20.928 1.00 44.20 H new ATOM 573 N PHE A 38 1.245 6.661 -21.726 1.00 24.13 N ATOM 574 CA PHE A 38 0.591 5.416 -22.112 1.00 10.25 C ATOM 575 C PHE A 38 0.891 4.309 -21.105 1.00 44.13 C ATOM 576 O PHE A 38 2.020 3.825 -21.018 1.00 72.40 O ATOM 577 CB PHE A 38 1.045 4.988 -23.509 1.00 2.24 C ATOM 578 CG PHE A 38 0.550 5.891 -24.602 1.00 65.25 C ATOM 579 CD1 PHE A 38 1.183 7.095 -24.864 1.00 44.31 C ATOM 580 CD2 PHE A 38 -0.547 5.535 -25.369 1.00 71.44 C ATOM 581 CE1 PHE A 38 0.730 7.928 -25.870 1.00 33.14 C ATOM 582 CE2 PHE A 38 -1.005 6.363 -26.377 1.00 12.04 C ATOM 583 CZ PHE A 38 -0.365 7.561 -26.628 1.00 31.24 C ATOM 0 H PHE A 38 2.038 6.920 -22.312 1.00 24.13 H new ATOM 0 HA PHE A 38 -0.485 5.589 -22.125 1.00 10.25 H new ATOM 0 HB2 PHE A 38 2.134 4.961 -23.536 1.00 2.24 H new ATOM 0 HB3 PHE A 38 0.696 3.973 -23.701 1.00 2.24 H new ATOM 0 HD1 PHE A 38 2.040 7.386 -24.275 1.00 44.31 H new ATOM 0 HD2 PHE A 38 -1.051 4.599 -25.177 1.00 71.44 H new ATOM 0 HE1 PHE A 38 1.232 8.865 -26.063 1.00 33.14 H new ATOM 0 HE2 PHE A 38 -1.862 6.074 -26.967 1.00 12.04 H new ATOM 0 HZ PHE A 38 -0.720 8.210 -27.415 1.00 31.24 H new ATOM 593 N ARG A 39 -0.126 3.915 -20.347 1.00 74.54 N ATOM 594 CA ARG A 39 0.028 2.866 -19.346 1.00 2.31 C ATOM 595 C ARG A 39 0.100 1.492 -20.004 1.00 64.33 C ATOM 596 O ARG A 39 -0.769 1.123 -20.795 1.00 43.02 O ATOM 597 CB ARG A 39 -1.133 2.907 -18.351 1.00 72.30 C ATOM 598 CG ARG A 39 -1.307 4.256 -17.672 1.00 71.44 C ATOM 599 CD ARG A 39 -2.729 4.446 -17.167 1.00 62.22 C ATOM 600 NE ARG A 39 -3.607 4.992 -18.198 1.00 14.21 N ATOM 601 CZ ARG A 39 -3.608 6.270 -18.561 1.00 61.24 C ATOM 602 NH1 ARG A 39 -2.780 7.128 -17.981 1.00 72.13 N ATOM 603 NH2 ARG A 39 -4.437 6.691 -19.508 1.00 12.34 N ATOM 0 H ARG A 39 -1.066 4.306 -20.407 1.00 74.54 H new ATOM 0 HA ARG A 39 0.962 3.043 -18.812 1.00 2.31 H new ATOM 0 HB2 ARG A 39 -2.056 2.650 -18.872 1.00 72.30 H new ATOM 0 HB3 ARG A 39 -0.974 2.144 -17.589 1.00 72.30 H new ATOM 0 HG2 ARG A 39 -0.610 4.338 -16.838 1.00 71.44 H new ATOM 0 HG3 ARG A 39 -1.059 5.052 -18.374 1.00 71.44 H new ATOM 0 HD2 ARG A 39 -3.123 3.489 -16.825 1.00 62.22 H new ATOM 0 HD3 ARG A 39 -2.722 5.114 -16.306 1.00 62.22 H new ATOM 0 HE ARG A 39 -4.255 4.358 -18.665 1.00 14.21 H new ATOM 0 HH11 ARG A 39 -2.140 6.807 -17.254 1.00 72.13 H new ATOM 0 HH12 ARG A 39 -2.783 8.109 -18.262 1.00 72.13 H new ATOM 0 HH21 ARG A 39 -5.074 6.033 -19.958 1.00 12.34 H new ATOM 0 HH22 ARG A 39 -4.437 7.672 -19.786 1.00 12.34 H new ATOM 617 N THR A 40 1.143 0.737 -19.673 1.00 63.52 N ATOM 618 CA THR A 40 1.330 -0.596 -20.233 1.00 25.01 C ATOM 619 C THR A 40 2.391 -1.373 -19.461 1.00 11.31 C ATOM 620 O THR A 40 3.484 -0.865 -19.206 1.00 30.32 O ATOM 621 CB THR A 40 1.738 -0.530 -21.717 1.00 54.10 C ATOM 622 OG1 THR A 40 1.923 -1.853 -22.234 1.00 14.53 O ATOM 623 CG2 THR A 40 3.019 0.272 -21.892 1.00 35.05 C ATOM 0 H THR A 40 1.871 1.026 -19.020 1.00 63.52 H new ATOM 0 HA THR A 40 0.373 -1.111 -20.149 1.00 25.01 H new ATOM 0 HB THR A 40 0.939 -0.033 -22.268 1.00 54.10 H new ATOM 0 HG1 THR A 40 2.180 -1.802 -23.178 1.00 14.53 H new ATOM 0 HG21 THR A 40 3.287 0.304 -22.948 1.00 35.05 H new ATOM 0 HG22 THR A 40 2.866 1.287 -21.525 1.00 35.05 H new ATOM 0 HG23 THR A 40 3.824 -0.200 -21.328 1.00 35.05 H new ATOM 631 N LEU A 41 2.063 -2.606 -19.092 1.00 14.23 N ATOM 632 CA LEU A 41 2.988 -3.454 -18.349 1.00 1.03 C ATOM 633 C LEU A 41 3.409 -4.661 -19.181 1.00 41.43 C ATOM 634 O LEU A 41 2.776 -4.986 -20.185 1.00 31.15 O ATOM 635 CB LEU A 41 2.345 -3.921 -17.042 1.00 24.24 C ATOM 636 CG LEU A 41 2.366 -2.918 -15.887 1.00 65.53 C ATOM 637 CD1 LEU A 41 1.549 -1.685 -16.237 1.00 44.52 C ATOM 638 CD2 LEU A 41 1.844 -3.563 -14.612 1.00 14.33 C ATOM 0 H LEU A 41 1.163 -3.041 -19.295 1.00 14.23 H new ATOM 0 HA LEU A 41 3.877 -2.866 -18.120 1.00 1.03 H new ATOM 0 HB2 LEU A 41 1.308 -4.188 -17.246 1.00 24.24 H new ATOM 0 HB3 LEU A 41 2.850 -4.830 -16.716 1.00 24.24 H new ATOM 0 HG LEU A 41 3.397 -2.609 -15.717 1.00 65.53 H new ATOM 0 HD11 LEU A 41 1.575 -0.983 -15.404 1.00 44.52 H new ATOM 0 HD12 LEU A 41 1.968 -1.211 -17.125 1.00 44.52 H new ATOM 0 HD13 LEU A 41 0.517 -1.976 -16.434 1.00 44.52 H new ATOM 0 HD21 LEU A 41 1.866 -2.835 -13.801 1.00 14.33 H new ATOM 0 HD22 LEU A 41 0.820 -3.901 -14.768 1.00 14.33 H new ATOM 0 HD23 LEU A 41 2.472 -4.415 -14.352 1.00 14.33 H new ATOM 650 N ASN A 42 4.481 -5.321 -18.756 1.00 61.53 N ATOM 651 CA ASN A 42 4.986 -6.494 -19.462 1.00 12.20 C ATOM 652 C ASN A 42 5.172 -7.667 -18.504 1.00 45.43 C ATOM 653 O ASN A 42 5.823 -7.536 -17.468 1.00 62.51 O ATOM 654 CB ASN A 42 6.312 -6.168 -20.152 1.00 2.15 C ATOM 655 CG ASN A 42 6.318 -4.783 -20.769 1.00 53.22 C ATOM 656 OD1 ASN A 42 5.357 -4.380 -21.426 1.00 2.15 O ATOM 657 ND2 ASN A 42 7.403 -4.047 -20.561 1.00 43.23 N ATOM 0 H ASN A 42 5.017 -5.064 -17.927 1.00 61.53 H new ATOM 0 HA ASN A 42 4.252 -6.777 -20.216 1.00 12.20 H new ATOM 0 HB2 ASN A 42 7.123 -6.244 -19.428 1.00 2.15 H new ATOM 0 HB3 ASN A 42 6.507 -6.909 -20.927 1.00 2.15 H new ATOM 0 HD21 ASN A 42 7.464 -3.107 -20.952 1.00 43.23 H new ATOM 0 HD22 ASN A 42 8.175 -4.422 -20.010 1.00 43.23 H new ATOM 664 N GLU A 43 4.597 -8.811 -18.860 1.00 21.23 N ATOM 665 CA GLU A 43 4.700 -10.007 -18.031 1.00 43.22 C ATOM 666 C GLU A 43 6.155 -10.297 -17.674 1.00 62.43 C ATOM 667 O GLU A 43 7.016 -10.380 -18.549 1.00 71.05 O ATOM 668 CB GLU A 43 4.091 -11.210 -18.755 1.00 1.44 C ATOM 669 CG GLU A 43 4.208 -12.510 -17.978 1.00 20.21 C ATOM 670 CD GLU A 43 3.859 -13.724 -18.817 1.00 31.22 C ATOM 671 OE1 GLU A 43 3.055 -13.580 -19.762 1.00 64.10 O ATOM 672 OE2 GLU A 43 4.388 -14.818 -18.528 1.00 45.45 O ATOM 0 H GLU A 43 4.056 -8.935 -19.716 1.00 21.23 H new ATOM 0 HA GLU A 43 4.146 -9.829 -17.109 1.00 43.22 H new ATOM 0 HB2 GLU A 43 3.038 -11.009 -18.954 1.00 1.44 H new ATOM 0 HB3 GLU A 43 4.581 -11.328 -19.721 1.00 1.44 H new ATOM 0 HG2 GLU A 43 5.226 -12.614 -17.601 1.00 20.21 H new ATOM 0 HG3 GLU A 43 3.549 -12.471 -17.110 1.00 20.21 H new ATOM 679 N GLY A 44 6.422 -10.451 -16.381 1.00 31.13 N ATOM 680 CA GLY A 44 7.773 -10.730 -15.930 1.00 11.01 C ATOM 681 C GLY A 44 8.462 -9.502 -15.368 1.00 35.22 C ATOM 682 O GLY A 44 9.480 -9.612 -14.687 1.00 24.13 O ATOM 0 H GLY A 44 5.727 -10.388 -15.637 1.00 31.13 H new ATOM 0 HA2 GLY A 44 7.745 -11.508 -15.167 1.00 11.01 H new ATOM 0 HA3 GLY A 44 8.357 -11.121 -16.763 1.00 11.01 H new ATOM 686 N GLU A 45 7.905 -8.330 -15.655 1.00 12.41 N ATOM 687 CA GLU A 45 8.475 -7.076 -15.175 1.00 34.23 C ATOM 688 C GLU A 45 7.968 -6.750 -13.773 1.00 32.13 C ATOM 689 O GLU A 45 6.914 -7.230 -13.354 1.00 31.30 O ATOM 690 CB GLU A 45 8.130 -5.934 -16.132 1.00 51.41 C ATOM 691 CG GLU A 45 8.937 -4.670 -15.887 1.00 13.41 C ATOM 692 CD GLU A 45 9.519 -4.092 -17.163 1.00 33.34 C ATOM 693 OE1 GLU A 45 8.778 -3.998 -18.164 1.00 2.35 O ATOM 694 OE2 GLU A 45 10.715 -3.735 -17.159 1.00 44.23 O ATOM 0 H GLU A 45 7.061 -8.222 -16.217 1.00 12.41 H new ATOM 0 HA GLU A 45 9.558 -7.191 -15.134 1.00 34.23 H new ATOM 0 HB2 GLU A 45 8.295 -6.267 -17.157 1.00 51.41 H new ATOM 0 HB3 GLU A 45 7.069 -5.701 -16.039 1.00 51.41 H new ATOM 0 HG2 GLU A 45 8.300 -3.924 -15.412 1.00 13.41 H new ATOM 0 HG3 GLU A 45 9.746 -4.889 -15.190 1.00 13.41 H new ATOM 701 N HIS A 46 8.726 -5.931 -13.051 1.00 42.44 N ATOM 702 CA HIS A 46 8.355 -5.540 -11.696 1.00 53.42 C ATOM 703 C HIS A 46 7.508 -4.270 -11.710 1.00 21.43 C ATOM 704 O HIS A 46 7.769 -3.346 -12.480 1.00 10.02 O ATOM 705 CB HIS A 46 9.606 -5.323 -10.844 1.00 53.02 C ATOM 706 CG HIS A 46 10.781 -6.139 -11.287 1.00 72.22 C ATOM 707 ND1 HIS A 46 11.051 -7.399 -10.795 1.00 12.41 N ATOM 708 CD2 HIS A 46 11.758 -5.870 -12.184 1.00 3.21 C ATOM 709 CE1 HIS A 46 12.145 -7.868 -11.368 1.00 54.12 C ATOM 710 NE2 HIS A 46 12.593 -6.960 -12.216 1.00 3.43 N ATOM 0 H HIS A 46 9.601 -5.525 -13.382 1.00 42.44 H new ATOM 0 HA HIS A 46 7.764 -6.346 -11.261 1.00 53.42 H new ATOM 0 HB2 HIS A 46 9.876 -4.267 -10.872 1.00 53.02 H new ATOM 0 HB3 HIS A 46 9.376 -5.566 -9.807 1.00 53.02 H new ATOM 0 HD2 HIS A 46 11.862 -4.966 -12.766 1.00 3.21 H new ATOM 0 HE1 HIS A 46 12.596 -8.830 -11.176 1.00 54.12 H new ATOM 0 HE2 HIS A 46 13.424 -7.053 -12.800 1.00 3.43 H new ATOM 718 N VAL A 47 6.492 -4.233 -10.853 1.00 63.10 N ATOM 719 CA VAL A 47 5.607 -3.078 -10.766 1.00 44.43 C ATOM 720 C VAL A 47 4.954 -2.988 -9.392 1.00 1.23 C ATOM 721 O VAL A 47 4.600 -4.004 -8.795 1.00 5.13 O ATOM 722 CB VAL A 47 4.507 -3.131 -11.843 1.00 23.11 C ATOM 723 CG1 VAL A 47 5.122 -3.149 -13.234 1.00 71.02 C ATOM 724 CG2 VAL A 47 3.613 -4.343 -11.630 1.00 70.25 C ATOM 0 H VAL A 47 6.262 -4.990 -10.209 1.00 63.10 H new ATOM 0 HA VAL A 47 6.223 -2.194 -10.930 1.00 44.43 H new ATOM 0 HB VAL A 47 3.893 -2.235 -11.756 1.00 23.11 H new ATOM 0 HG11 VAL A 47 4.330 -3.187 -13.982 1.00 71.02 H new ATOM 0 HG12 VAL A 47 5.717 -2.247 -13.381 1.00 71.02 H new ATOM 0 HG13 VAL A 47 5.761 -4.026 -13.338 1.00 71.02 H new ATOM 0 HG21 VAL A 47 2.841 -4.365 -12.399 1.00 70.25 H new ATOM 0 HG22 VAL A 47 4.212 -5.252 -11.690 1.00 70.25 H new ATOM 0 HG23 VAL A 47 3.144 -4.281 -10.648 1.00 70.25 H new ATOM 734 N GLU A 48 4.797 -1.764 -8.896 1.00 71.31 N ATOM 735 CA GLU A 48 4.186 -1.542 -7.591 1.00 31.32 C ATOM 736 C GLU A 48 2.668 -1.444 -7.710 1.00 72.43 C ATOM 737 O GLU A 48 2.132 -1.234 -8.799 1.00 32.04 O ATOM 738 CB GLU A 48 4.742 -0.267 -6.953 1.00 74.30 C ATOM 739 CG GLU A 48 4.398 -0.124 -5.480 1.00 12.20 C ATOM 740 CD GLU A 48 5.108 1.046 -4.826 1.00 72.24 C ATOM 741 OE1 GLU A 48 6.295 1.270 -5.143 1.00 21.05 O ATOM 742 OE2 GLU A 48 4.477 1.736 -3.999 1.00 40.42 O ATOM 0 H GLU A 48 5.084 -0.912 -9.378 1.00 71.31 H new ATOM 0 HA GLU A 48 4.429 -2.394 -6.955 1.00 31.32 H new ATOM 0 HB2 GLU A 48 5.826 -0.257 -7.067 1.00 74.30 H new ATOM 0 HB3 GLU A 48 4.356 0.598 -7.493 1.00 74.30 H new ATOM 0 HG2 GLU A 48 3.321 0.004 -5.373 1.00 12.20 H new ATOM 0 HG3 GLU A 48 4.663 -1.043 -4.958 1.00 12.20 H new ATOM 749 N PHE A 49 1.980 -1.599 -6.584 1.00 23.13 N ATOM 750 CA PHE A 49 0.524 -1.530 -6.561 1.00 52.01 C ATOM 751 C PHE A 49 0.008 -1.394 -5.132 1.00 31.14 C ATOM 752 O PHE A 49 0.387 -2.163 -4.249 1.00 2.43 O ATOM 753 CB PHE A 49 -0.077 -2.775 -7.216 1.00 72.31 C ATOM 754 CG PHE A 49 0.219 -4.046 -6.472 1.00 65.14 C ATOM 755 CD1 PHE A 49 1.421 -4.710 -6.661 1.00 31.24 C ATOM 756 CD2 PHE A 49 -0.703 -4.577 -5.586 1.00 13.14 C ATOM 757 CE1 PHE A 49 1.697 -5.880 -5.978 1.00 3.44 C ATOM 758 CE2 PHE A 49 -0.432 -5.746 -4.899 1.00 54.35 C ATOM 759 CZ PHE A 49 0.769 -6.398 -5.097 1.00 32.54 C ATOM 0 H PHE A 49 2.408 -1.773 -5.675 1.00 23.13 H new ATOM 0 HA PHE A 49 0.218 -0.648 -7.124 1.00 52.01 H new ATOM 0 HB2 PHE A 49 -1.157 -2.651 -7.291 1.00 72.31 H new ATOM 0 HB3 PHE A 49 0.305 -2.861 -8.233 1.00 72.31 H new ATOM 0 HD1 PHE A 49 2.150 -4.309 -7.349 1.00 31.24 H new ATOM 0 HD2 PHE A 49 -1.645 -4.072 -5.430 1.00 13.14 H new ATOM 0 HE1 PHE A 49 2.637 -6.388 -6.134 1.00 3.44 H new ATOM 0 HE2 PHE A 49 -1.159 -6.148 -4.209 1.00 54.35 H new ATOM 0 HZ PHE A 49 0.982 -7.312 -4.563 1.00 32.54 H new ATOM 769 N GLU A 50 -0.859 -0.410 -4.913 1.00 21.24 N ATOM 770 CA GLU A 50 -1.426 -0.173 -3.590 1.00 43.32 C ATOM 771 C GLU A 50 -2.795 -0.834 -3.458 1.00 42.34 C ATOM 772 O GLU A 50 -3.795 -0.322 -3.962 1.00 1.24 O ATOM 773 CB GLU A 50 -1.545 1.329 -3.324 1.00 42.53 C ATOM 774 CG GLU A 50 -2.636 1.687 -2.329 1.00 71.22 C ATOM 775 CD GLU A 50 -2.297 2.915 -1.507 1.00 64.02 C ATOM 776 OE1 GLU A 50 -1.488 3.741 -1.981 1.00 74.35 O ATOM 777 OE2 GLU A 50 -2.838 3.050 -0.390 1.00 53.44 O ATOM 0 H GLU A 50 -1.184 0.235 -5.633 1.00 21.24 H new ATOM 0 HA GLU A 50 -0.756 -0.614 -2.852 1.00 43.32 H new ATOM 0 HB2 GLU A 50 -0.590 1.700 -2.952 1.00 42.53 H new ATOM 0 HB3 GLU A 50 -1.741 1.842 -4.266 1.00 42.53 H new ATOM 0 HG2 GLU A 50 -3.569 1.860 -2.865 1.00 71.22 H new ATOM 0 HG3 GLU A 50 -2.804 0.842 -1.661 1.00 71.22 H new ATOM 784 N VAL A 51 -2.831 -1.975 -2.778 1.00 72.32 N ATOM 785 CA VAL A 51 -4.076 -2.707 -2.579 1.00 73.10 C ATOM 786 C VAL A 51 -5.060 -1.900 -1.739 1.00 24.34 C ATOM 787 O VAL A 51 -4.741 -1.480 -0.627 1.00 11.30 O ATOM 788 CB VAL A 51 -3.826 -4.064 -1.895 1.00 34.30 C ATOM 789 CG1 VAL A 51 -2.905 -4.928 -2.742 1.00 45.24 C ATOM 790 CG2 VAL A 51 -3.249 -3.860 -0.503 1.00 24.34 C ATOM 0 H VAL A 51 -2.012 -2.413 -2.356 1.00 72.32 H new ATOM 0 HA VAL A 51 -4.503 -2.880 -3.567 1.00 73.10 H new ATOM 0 HB VAL A 51 -4.780 -4.582 -1.796 1.00 34.30 H new ATOM 0 HG11 VAL A 51 -2.740 -5.883 -2.242 1.00 45.24 H new ATOM 0 HG12 VAL A 51 -3.363 -5.102 -3.716 1.00 45.24 H new ATOM 0 HG13 VAL A 51 -1.950 -4.419 -2.876 1.00 45.24 H new ATOM 0 HG21 VAL A 51 -3.079 -4.829 -0.034 1.00 24.34 H new ATOM 0 HG22 VAL A 51 -2.304 -3.321 -0.576 1.00 24.34 H new ATOM 0 HG23 VAL A 51 -3.950 -3.283 0.100 1.00 24.34 H new ATOM 800 N GLU A 52 -6.256 -1.689 -2.278 1.00 12.31 N ATOM 801 CA GLU A 52 -7.286 -0.931 -1.577 1.00 33.43 C ATOM 802 C GLU A 52 -8.444 -1.837 -1.168 1.00 75.35 C ATOM 803 O GLU A 52 -8.627 -2.932 -1.701 1.00 70.13 O ATOM 804 CB GLU A 52 -7.802 0.208 -2.458 1.00 42.12 C ATOM 805 CG GLU A 52 -7.022 1.502 -2.298 1.00 12.44 C ATOM 806 CD GLU A 52 -7.029 2.014 -0.870 1.00 52.43 C ATOM 807 OE1 GLU A 52 -7.964 2.762 -0.514 1.00 2.24 O ATOM 808 OE2 GLU A 52 -6.101 1.668 -0.111 1.00 21.05 O ATOM 0 H GLU A 52 -6.536 -2.032 -3.197 1.00 12.31 H new ATOM 0 HA GLU A 52 -6.841 -0.510 -0.676 1.00 33.43 H new ATOM 0 HB2 GLU A 52 -7.762 -0.104 -3.502 1.00 42.12 H new ATOM 0 HB3 GLU A 52 -8.850 0.393 -2.221 1.00 42.12 H new ATOM 0 HG2 GLU A 52 -5.992 1.343 -2.618 1.00 12.44 H new ATOM 0 HG3 GLU A 52 -7.447 2.261 -2.955 1.00 12.44 H new ATOM 815 N PRO A 53 -9.246 -1.371 -0.199 1.00 72.33 N ATOM 816 CA PRO A 53 -10.400 -2.123 0.303 1.00 55.24 C ATOM 817 C PRO A 53 -11.526 -2.209 -0.722 1.00 72.23 C ATOM 818 O PRO A 53 -11.563 -3.126 -1.542 1.00 53.53 O ATOM 819 CB PRO A 53 -10.848 -1.313 1.522 1.00 52.43 C ATOM 820 CG PRO A 53 -10.370 0.072 1.253 1.00 51.45 C ATOM 821 CD PRO A 53 -9.088 -0.075 0.481 1.00 51.24 C ATOM 0 HA PRO A 53 -10.144 -3.158 0.532 1.00 55.24 H new ATOM 0 HB2 PRO A 53 -11.931 -1.342 1.640 1.00 52.43 H new ATOM 0 HB3 PRO A 53 -10.416 -1.709 2.441 1.00 52.43 H new ATOM 0 HG2 PRO A 53 -11.108 0.635 0.681 1.00 51.45 H new ATOM 0 HG3 PRO A 53 -10.205 0.616 2.183 1.00 51.45 H new ATOM 0 HD2 PRO A 53 -8.952 0.739 -0.231 1.00 51.24 H new ATOM 0 HD3 PRO A 53 -8.219 -0.070 1.140 1.00 51.24 H new ATOM 829 N GLY A 54 -12.443 -1.248 -0.670 1.00 13.20 N ATOM 830 CA GLY A 54 -13.558 -1.234 -1.600 1.00 24.13 C ATOM 831 C GLY A 54 -13.188 -0.628 -2.939 1.00 2.11 C ATOM 832 O GLY A 54 -13.732 0.404 -3.332 1.00 2.10 O ATOM 0 H GLY A 54 -12.434 -0.479 -0.000 1.00 13.20 H new ATOM 0 HA2 GLY A 54 -13.914 -2.253 -1.752 1.00 24.13 H new ATOM 0 HA3 GLY A 54 -14.383 -0.670 -1.165 1.00 24.13 H new ATOM 836 N ARG A 55 -12.259 -1.269 -3.641 1.00 31.13 N ATOM 837 CA ARG A 55 -11.815 -0.785 -4.942 1.00 51.12 C ATOM 838 C ARG A 55 -11.804 -1.915 -5.968 1.00 12.32 C ATOM 839 O ARG A 55 -12.205 -1.729 -7.116 1.00 11.41 O ATOM 840 CB ARG A 55 -10.419 -0.169 -4.832 1.00 14.52 C ATOM 841 CG ARG A 55 -10.307 1.205 -5.474 1.00 74.51 C ATOM 842 CD ARG A 55 -10.377 2.313 -4.435 1.00 63.22 C ATOM 843 NE ARG A 55 -10.971 3.533 -4.975 1.00 73.40 N ATOM 844 CZ ARG A 55 -12.281 3.742 -5.047 1.00 51.12 C ATOM 845 NH1 ARG A 55 -13.128 2.818 -4.616 1.00 14.13 N ATOM 846 NH2 ARG A 55 -12.746 4.878 -5.551 1.00 43.14 N ATOM 0 H ARG A 55 -11.799 -2.125 -3.330 1.00 31.13 H new ATOM 0 HA ARG A 55 -12.517 -0.021 -5.276 1.00 51.12 H new ATOM 0 HB2 ARG A 55 -10.147 -0.092 -3.779 1.00 14.52 H new ATOM 0 HB3 ARG A 55 -9.698 -0.839 -5.300 1.00 14.52 H new ATOM 0 HG2 ARG A 55 -9.367 1.277 -6.021 1.00 74.51 H new ATOM 0 HG3 ARG A 55 -11.109 1.335 -6.200 1.00 74.51 H new ATOM 0 HD2 ARG A 55 -10.962 1.972 -3.581 1.00 63.22 H new ATOM 0 HD3 ARG A 55 -9.374 2.530 -4.068 1.00 63.22 H new ATOM 0 HE ARG A 55 -10.346 4.264 -5.315 1.00 73.40 H new ATOM 0 HH11 ARG A 55 -12.775 1.944 -4.228 1.00 14.13 H new ATOM 0 HH12 ARG A 55 -14.133 2.981 -4.673 1.00 14.13 H new ATOM 0 HH21 ARG A 55 -12.097 5.592 -5.884 1.00 43.14 H new ATOM 0 HH22 ARG A 55 -13.752 5.038 -5.606 1.00 43.14 H new ATOM 860 N GLY A 56 -11.341 -3.087 -5.544 1.00 73.25 N ATOM 861 CA GLY A 56 -11.286 -4.229 -6.438 1.00 70.31 C ATOM 862 C GLY A 56 -12.333 -5.275 -6.108 1.00 51.44 C ATOM 863 O GLY A 56 -12.731 -5.422 -4.954 1.00 22.53 O ATOM 0 H GLY A 56 -11.003 -3.266 -4.598 1.00 73.25 H new ATOM 0 HA2 GLY A 56 -11.426 -3.890 -7.464 1.00 70.31 H new ATOM 0 HA3 GLY A 56 -10.296 -4.681 -6.384 1.00 70.31 H new ATOM 867 N GLY A 57 -12.783 -6.002 -7.127 1.00 2.41 N ATOM 868 CA GLY A 57 -13.788 -7.028 -6.919 1.00 43.12 C ATOM 869 C GLY A 57 -13.442 -7.953 -5.770 1.00 20.53 C ATOM 870 O GLY A 57 -14.210 -8.086 -4.816 1.00 44.42 O ATOM 0 H GLY A 57 -12.469 -5.898 -8.092 1.00 2.41 H new ATOM 0 HA2 GLY A 57 -14.751 -6.555 -6.724 1.00 43.12 H new ATOM 0 HA3 GLY A 57 -13.900 -7.613 -7.832 1.00 43.12 H new ATOM 874 N LYS A 58 -12.284 -8.598 -5.859 1.00 64.21 N ATOM 875 CA LYS A 58 -11.837 -9.517 -4.819 1.00 63.32 C ATOM 876 C LYS A 58 -11.483 -8.763 -3.542 1.00 3.14 C ATOM 877 O LYS A 58 -11.281 -9.366 -2.488 1.00 75.15 O ATOM 878 CB LYS A 58 -10.626 -10.318 -5.303 1.00 62.04 C ATOM 879 CG LYS A 58 -10.874 -11.074 -6.597 1.00 52.23 C ATOM 880 CD LYS A 58 -12.012 -12.071 -6.451 1.00 44.32 C ATOM 881 CE LYS A 58 -11.688 -13.138 -5.417 1.00 62.23 C ATOM 882 NZ LYS A 58 -12.673 -14.255 -5.446 1.00 4.12 N ATOM 0 H LYS A 58 -11.637 -8.501 -6.642 1.00 64.21 H new ATOM 0 HA LYS A 58 -12.655 -10.203 -4.600 1.00 63.32 H new ATOM 0 HB2 LYS A 58 -9.785 -9.639 -5.444 1.00 62.04 H new ATOM 0 HB3 LYS A 58 -10.337 -11.027 -4.528 1.00 62.04 H new ATOM 0 HG2 LYS A 58 -11.108 -10.367 -7.393 1.00 52.23 H new ATOM 0 HG3 LYS A 58 -9.965 -11.598 -6.893 1.00 52.23 H new ATOM 0 HD2 LYS A 58 -12.922 -11.546 -6.161 1.00 44.32 H new ATOM 0 HD3 LYS A 58 -12.209 -12.543 -7.413 1.00 44.32 H new ATOM 0 HE2 LYS A 58 -10.688 -13.531 -5.601 1.00 62.23 H new ATOM 0 HE3 LYS A 58 -11.676 -12.690 -4.424 1.00 62.23 H new ATOM 0 HZ1 LYS A 58 -12.418 -14.962 -4.727 1.00 4.12 H new ATOM 0 HZ2 LYS A 58 -13.624 -13.885 -5.245 1.00 4.12 H new ATOM 0 HZ3 LYS A 58 -12.666 -14.700 -6.386 1.00 4.12 H new ATOM 896 N GLY A 59 -11.410 -7.439 -3.642 1.00 43.02 N ATOM 897 CA GLY A 59 -11.081 -6.624 -2.487 1.00 74.21 C ATOM 898 C GLY A 59 -9.857 -5.761 -2.716 1.00 4.03 C ATOM 899 O GLY A 59 -9.956 -4.568 -3.005 1.00 34.41 O ATOM 0 H GLY A 59 -11.573 -6.916 -4.503 1.00 43.02 H new ATOM 0 HA2 GLY A 59 -11.931 -5.986 -2.242 1.00 74.21 H new ATOM 0 HA3 GLY A 59 -10.910 -7.271 -1.627 1.00 74.21 H new ATOM 903 N PRO A 60 -8.667 -6.367 -2.584 1.00 35.42 N ATOM 904 CA PRO A 60 -7.395 -5.664 -2.773 1.00 31.34 C ATOM 905 C PRO A 60 -7.152 -5.288 -4.230 1.00 45.20 C ATOM 906 O PRO A 60 -6.954 -6.156 -5.079 1.00 61.14 O ATOM 907 CB PRO A 60 -6.354 -6.683 -2.302 1.00 42.12 C ATOM 908 CG PRO A 60 -7.008 -8.008 -2.492 1.00 24.03 C ATOM 909 CD PRO A 60 -8.474 -7.786 -2.241 1.00 25.23 C ATOM 0 HA PRO A 60 -7.365 -4.721 -2.228 1.00 31.34 H new ATOM 0 HB2 PRO A 60 -5.435 -6.608 -2.884 1.00 42.12 H new ATOM 0 HB3 PRO A 60 -6.085 -6.520 -1.258 1.00 42.12 H new ATOM 0 HG2 PRO A 60 -6.838 -8.386 -3.500 1.00 24.03 H new ATOM 0 HG3 PRO A 60 -6.601 -8.747 -1.801 1.00 24.03 H new ATOM 0 HD2 PRO A 60 -9.091 -8.437 -2.861 1.00 25.23 H new ATOM 0 HD3 PRO A 60 -8.739 -7.988 -1.203 1.00 25.23 H new ATOM 917 N GLN A 61 -7.167 -3.989 -4.511 1.00 41.14 N ATOM 918 CA GLN A 61 -6.948 -3.499 -5.867 1.00 43.11 C ATOM 919 C GLN A 61 -5.657 -2.691 -5.952 1.00 12.52 C ATOM 920 O GLN A 61 -5.122 -2.250 -4.935 1.00 43.12 O ATOM 921 CB GLN A 61 -8.131 -2.642 -6.320 1.00 10.33 C ATOM 922 CG GLN A 61 -8.266 -2.540 -7.830 1.00 41.15 C ATOM 923 CD GLN A 61 -9.459 -1.706 -8.255 1.00 63.21 C ATOM 924 OE1 GLN A 61 -10.387 -2.208 -8.890 1.00 43.24 O ATOM 925 NE2 GLN A 61 -9.441 -0.425 -7.905 1.00 63.34 N ATOM 0 H GLN A 61 -7.328 -3.258 -3.819 1.00 41.14 H new ATOM 0 HA GLN A 61 -6.860 -4.361 -6.528 1.00 43.11 H new ATOM 0 HB2 GLN A 61 -9.050 -3.060 -5.909 1.00 10.33 H new ATOM 0 HB3 GLN A 61 -8.023 -1.640 -5.905 1.00 10.33 H new ATOM 0 HG2 GLN A 61 -7.357 -2.104 -8.243 1.00 41.15 H new ATOM 0 HG3 GLN A 61 -8.359 -3.541 -8.251 1.00 41.15 H new ATOM 0 HE21 GLN A 61 -8.651 -0.051 -7.379 1.00 63.34 H new ATOM 0 HE22 GLN A 61 -10.217 0.185 -8.162 1.00 63.34 H new ATOM 934 N ALA A 62 -5.163 -2.500 -7.171 1.00 20.04 N ATOM 935 CA ALA A 62 -3.936 -1.743 -7.388 1.00 33.31 C ATOM 936 C ALA A 62 -4.223 -0.249 -7.488 1.00 74.13 C ATOM 937 O ALA A 62 -3.897 0.391 -8.488 1.00 60.11 O ATOM 938 CB ALA A 62 -3.230 -2.233 -8.644 1.00 2.55 C ATOM 0 H ALA A 62 -5.594 -2.859 -8.023 1.00 20.04 H new ATOM 0 HA ALA A 62 -3.282 -1.903 -6.531 1.00 33.31 H new ATOM 0 HB1 ALA A 62 -2.315 -1.659 -8.795 1.00 2.55 H new ATOM 0 HB2 ALA A 62 -2.982 -3.289 -8.534 1.00 2.55 H new ATOM 0 HB3 ALA A 62 -3.886 -2.102 -9.505 1.00 2.55 H new ATOM 944 N LYS A 63 -4.837 0.302 -6.446 1.00 41.05 N ATOM 945 CA LYS A 63 -5.168 1.722 -6.416 1.00 73.41 C ATOM 946 C LYS A 63 -3.999 2.564 -6.917 1.00 13.03 C ATOM 947 O LYS A 63 -4.176 3.464 -7.738 1.00 62.34 O ATOM 948 CB LYS A 63 -5.546 2.148 -4.996 1.00 35.22 C ATOM 949 CG LYS A 63 -5.450 3.646 -4.764 1.00 61.22 C ATOM 950 CD LYS A 63 -6.344 4.417 -5.721 1.00 31.32 C ATOM 951 CE LYS A 63 -7.816 4.157 -5.440 1.00 31.33 C ATOM 952 NZ LYS A 63 -8.254 4.777 -4.159 1.00 32.13 N ATOM 0 H LYS A 63 -5.115 -0.213 -5.611 1.00 41.05 H new ATOM 0 HA LYS A 63 -6.019 1.885 -7.077 1.00 73.41 H new ATOM 0 HB2 LYS A 63 -6.565 1.821 -4.787 1.00 35.22 H new ATOM 0 HB3 LYS A 63 -4.895 1.637 -4.287 1.00 35.22 H new ATOM 0 HG2 LYS A 63 -5.733 3.875 -3.736 1.00 61.22 H new ATOM 0 HG3 LYS A 63 -4.417 3.969 -4.890 1.00 61.22 H new ATOM 0 HD2 LYS A 63 -6.139 5.484 -5.633 1.00 31.32 H new ATOM 0 HD3 LYS A 63 -6.112 4.131 -6.747 1.00 31.32 H new ATOM 0 HE2 LYS A 63 -8.417 4.552 -6.259 1.00 31.33 H new ATOM 0 HE3 LYS A 63 -7.994 3.082 -5.403 1.00 31.33 H new ATOM 0 HZ1 LYS A 63 -9.196 5.201 -4.283 1.00 32.13 H new ATOM 0 HZ2 LYS A 63 -8.297 4.049 -3.418 1.00 32.13 H new ATOM 0 HZ3 LYS A 63 -7.576 5.515 -3.881 1.00 32.13 H new ATOM 966 N LYS A 64 -2.805 2.266 -6.417 1.00 64.14 N ATOM 967 CA LYS A 64 -1.605 2.993 -6.815 1.00 53.34 C ATOM 968 C LYS A 64 -0.564 2.046 -7.403 1.00 31.13 C ATOM 969 O LYS A 64 0.205 1.422 -6.671 1.00 41.22 O ATOM 970 CB LYS A 64 -1.014 3.738 -5.616 1.00 60.03 C ATOM 971 CG LYS A 64 -0.640 5.179 -5.919 1.00 71.41 C ATOM 972 CD LYS A 64 -1.873 6.052 -6.082 1.00 44.23 C ATOM 973 CE LYS A 64 -2.625 6.206 -4.769 1.00 44.02 C ATOM 974 NZ LYS A 64 -3.780 7.137 -4.897 1.00 61.24 N ATOM 0 H LYS A 64 -2.642 1.525 -5.735 1.00 64.14 H new ATOM 0 HA LYS A 64 -1.886 3.716 -7.581 1.00 53.34 H new ATOM 0 HB2 LYS A 64 -1.735 3.723 -4.798 1.00 60.03 H new ATOM 0 HB3 LYS A 64 -0.128 3.207 -5.270 1.00 60.03 H new ATOM 0 HG2 LYS A 64 -0.019 5.572 -5.114 1.00 71.41 H new ATOM 0 HG3 LYS A 64 -0.043 5.217 -6.830 1.00 71.41 H new ATOM 0 HD2 LYS A 64 -1.578 7.034 -6.451 1.00 44.23 H new ATOM 0 HD3 LYS A 64 -2.533 5.615 -6.831 1.00 44.23 H new ATOM 0 HE2 LYS A 64 -2.980 5.230 -4.437 1.00 44.02 H new ATOM 0 HE3 LYS A 64 -1.944 6.575 -4.002 1.00 44.02 H new ATOM 0 HZ1 LYS A 64 -4.306 7.163 -4.000 1.00 61.24 H new ATOM 0 HZ2 LYS A 64 -3.433 8.091 -5.123 1.00 61.24 H new ATOM 0 HZ3 LYS A 64 -4.408 6.808 -5.658 1.00 61.24 H new ATOM 988 N VAL A 65 -0.544 1.944 -8.728 1.00 31.41 N ATOM 989 CA VAL A 65 0.405 1.074 -9.413 1.00 54.24 C ATOM 990 C VAL A 65 1.576 1.873 -9.974 1.00 72.13 C ATOM 991 O VAL A 65 1.405 2.999 -10.441 1.00 3.52 O ATOM 992 CB VAL A 65 -0.271 0.300 -10.561 1.00 11.22 C ATOM 993 CG1 VAL A 65 0.469 0.530 -11.869 1.00 45.53 C ATOM 994 CG2 VAL A 65 -0.342 -1.184 -10.233 1.00 11.52 C ATOM 0 H VAL A 65 -1.174 2.453 -9.348 1.00 31.41 H new ATOM 0 HA VAL A 65 0.774 0.363 -8.674 1.00 54.24 H new ATOM 0 HB VAL A 65 -1.289 0.673 -10.677 1.00 11.22 H new ATOM 0 HG11 VAL A 65 -0.023 -0.025 -12.668 1.00 45.53 H new ATOM 0 HG12 VAL A 65 0.463 1.593 -12.108 1.00 45.53 H new ATOM 0 HG13 VAL A 65 1.499 0.186 -11.770 1.00 45.53 H new ATOM 0 HG21 VAL A 65 -0.822 -1.716 -11.054 1.00 11.52 H new ATOM 0 HG22 VAL A 65 0.666 -1.573 -10.089 1.00 11.52 H new ATOM 0 HG23 VAL A 65 -0.920 -1.328 -9.320 1.00 11.52 H new ATOM 1004 N ARG A 66 2.765 1.282 -9.926 1.00 61.22 N ATOM 1005 CA ARG A 66 3.966 1.939 -10.429 1.00 74.41 C ATOM 1006 C ARG A 66 4.772 0.993 -11.315 1.00 1.34 C ATOM 1007 O ARG A 66 4.695 -0.227 -11.169 1.00 3.24 O ATOM 1008 CB ARG A 66 4.831 2.427 -9.266 1.00 13.22 C ATOM 1009 CG ARG A 66 4.037 3.094 -8.154 1.00 74.42 C ATOM 1010 CD ARG A 66 4.952 3.732 -7.121 1.00 60.12 C ATOM 1011 NE ARG A 66 4.201 4.411 -6.069 1.00 55.23 N ATOM 1012 CZ ARG A 66 3.641 5.606 -6.221 1.00 14.33 C ATOM 1013 NH1 ARG A 66 3.747 6.250 -7.375 1.00 14.32 N ATOM 1014 NH2 ARG A 66 2.972 6.159 -5.217 1.00 4.35 N ATOM 0 H ARG A 66 2.923 0.349 -9.544 1.00 61.22 H new ATOM 0 HA ARG A 66 3.658 2.796 -11.028 1.00 74.41 H new ATOM 0 HB2 ARG A 66 5.379 1.581 -8.852 1.00 13.22 H new ATOM 0 HB3 ARG A 66 5.571 3.132 -9.645 1.00 13.22 H new ATOM 0 HG2 ARG A 66 3.381 3.854 -8.579 1.00 74.42 H new ATOM 0 HG3 ARG A 66 3.398 2.356 -7.669 1.00 74.42 H new ATOM 0 HD2 ARG A 66 5.586 2.965 -6.676 1.00 60.12 H new ATOM 0 HD3 ARG A 66 5.612 4.446 -7.613 1.00 60.12 H new ATOM 0 HE ARG A 66 4.101 3.942 -5.169 1.00 55.23 H new ATOM 0 HH11 ARG A 66 4.260 5.828 -8.149 1.00 14.32 H new ATOM 0 HH12 ARG A 66 3.316 7.167 -7.489 1.00 14.32 H new ATOM 0 HH21 ARG A 66 2.888 5.666 -4.328 1.00 4.35 H new ATOM 0 HH22 ARG A 66 2.542 7.077 -5.335 1.00 4.35 H new ATOM 1028 N ARG A 67 5.544 1.565 -12.233 1.00 1.21 N ATOM 1029 CA ARG A 67 6.363 0.774 -13.143 1.00 61.20 C ATOM 1030 C ARG A 67 7.763 0.564 -12.572 1.00 54.13 C ATOM 1031 O ARG A 67 8.403 1.509 -12.110 1.00 33.24 O ATOM 1032 CB ARG A 67 6.455 1.459 -14.508 1.00 13.34 C ATOM 1033 CG ARG A 67 5.157 1.419 -15.298 1.00 20.50 C ATOM 1034 CD ARG A 67 5.388 1.747 -16.765 1.00 34.42 C ATOM 1035 NE ARG A 67 6.039 3.042 -16.940 1.00 52.01 N ATOM 1036 CZ ARG A 67 6.532 3.466 -18.098 1.00 60.14 C ATOM 1037 NH1 ARG A 67 6.448 2.701 -19.178 1.00 60.01 N ATOM 1038 NH2 ARG A 67 7.110 4.657 -18.178 1.00 43.54 N ATOM 0 H ARG A 67 5.619 2.573 -12.366 1.00 1.21 H new ATOM 0 HA ARG A 67 5.889 -0.200 -13.264 1.00 61.20 H new ATOM 0 HB2 ARG A 67 6.751 2.498 -14.364 1.00 13.34 H new ATOM 0 HB3 ARG A 67 7.241 0.981 -15.093 1.00 13.34 H new ATOM 0 HG2 ARG A 67 4.707 0.430 -15.212 1.00 20.50 H new ATOM 0 HG3 ARG A 67 4.448 2.130 -14.872 1.00 20.50 H new ATOM 0 HD2 ARG A 67 6.002 0.969 -17.218 1.00 34.42 H new ATOM 0 HD3 ARG A 67 4.433 1.747 -17.291 1.00 34.42 H new ATOM 0 HE ARG A 67 6.120 3.655 -16.128 1.00 52.01 H new ATOM 0 HH11 ARG A 67 6.004 1.785 -19.121 1.00 60.01 H new ATOM 0 HH12 ARG A 67 6.827 3.029 -20.066 1.00 60.01 H new ATOM 0 HH21 ARG A 67 7.176 5.248 -17.350 1.00 43.54 H new ATOM 0 HH22 ARG A 67 7.488 4.982 -19.068 1.00 43.54 H new ATOM 1052 N ILE A 68 8.230 -0.679 -12.608 1.00 63.01 N ATOM 1053 CA ILE A 68 9.553 -1.012 -12.095 1.00 44.11 C ATOM 1054 C ILE A 68 10.266 -2.001 -13.012 1.00 13.41 C ATOM 1055 O ILE A 68 10.153 -3.215 -12.841 1.00 55.52 O ATOM 1056 CB ILE A 68 9.474 -1.609 -10.678 1.00 32.13 C ATOM 1057 CG1 ILE A 68 8.814 -0.616 -9.719 1.00 30.23 C ATOM 1058 CG2 ILE A 68 10.862 -1.988 -10.184 1.00 20.11 C ATOM 1059 CD1 ILE A 68 9.803 0.159 -8.876 1.00 60.43 C ATOM 0 H ILE A 68 7.712 -1.472 -12.987 1.00 63.01 H new ATOM 0 HA ILE A 68 10.119 -0.082 -12.057 1.00 44.11 H new ATOM 0 HB ILE A 68 8.864 -2.512 -10.714 1.00 32.13 H new ATOM 0 HG12 ILE A 68 8.211 0.086 -10.294 1.00 30.23 H new ATOM 0 HG13 ILE A 68 8.133 -1.156 -9.061 1.00 30.23 H new ATOM 0 HG21 ILE A 68 10.789 -2.408 -9.181 1.00 20.11 H new ATOM 0 HG22 ILE A 68 11.298 -2.727 -10.856 1.00 20.11 H new ATOM 0 HG23 ILE A 68 11.495 -1.101 -10.160 1.00 20.11 H new ATOM 0 HD11 ILE A 68 9.265 0.843 -8.220 1.00 60.43 H new ATOM 0 HD12 ILE A 68 10.390 -0.535 -8.274 1.00 60.43 H new ATOM 0 HD13 ILE A 68 10.468 0.727 -9.526 1.00 60.43 H new TER 1071 ILE A 68