USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 518 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 18 THR OG1 : rot -140:sc= -1.69 USER MOD Set 1.2: A 21 MET CE :methyl -171:sc= -4.31! (180deg=-4.9!) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.42 K(o=1,f=-7.5!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 139:sc= 0.622 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -171:sc= 0 (180deg=-0.0802) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 2 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.13) USER MOD Single : A 4 SER OG : rot 120:sc=-0.00177 USER MOD Single : A 15 THR OG1 : rot 64:sc= -0.201 USER MOD Single : A 22 MET CE :methyl -170:sc= -3.89! (180deg=-4.16) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 28 SER OG : rot 180:sc= -0.35 USER MOD Single : A 30 THR OG1 : rot 33:sc= 0.329 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -147:sc= -7.9! (180deg=-16.5!) USER MOD Single : A 44 GLN : amide:sc=-0.00419 X(o=-0.0042,f=-0.018) USER MOD Single : A 46 ASN : amide:sc= -4.2! C(o=-4.2!,f=-6.8!) USER MOD Single : A 47 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.25) USER MOD Single : A 51 MET CE :methyl 155:sc= -0.325 (180deg=-1.77!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -1.04 USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 56 MET CE :methyl 177:sc= -2.41 (180deg=-2.62) USER MOD Single : A 59 MET CE :methyl 172:sc= -4.43! (180deg=-4.83!) USER MOD Single : A 63 TYR OH : rot 137:sc= -0.754 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.193 1.510 -0.446 1.00 3.01 N ATOM 2 CA MET A 0 1.898 0.447 -1.143 1.00 1.53 C ATOM 3 C MET A 0 1.046 -0.123 -2.279 1.00 1.54 C ATOM 4 O MET A 0 1.544 -0.344 -3.382 1.00 14.14 O ATOM 5 CB MET A 0 2.245 -0.668 -0.155 1.00 70.41 C ATOM 6 CG MET A 0 3.314 -1.599 -0.732 1.00 51.34 C ATOM 7 SD MET A 0 2.575 -2.724 -1.905 1.00 3.13 S ATOM 8 CE MET A 0 3.691 -4.109 -1.751 1.00 1.53 C ATOM 0 H1 MET A 0 1.842 1.982 0.216 1.00 3.01 H new ATOM 0 H2 MET A 0 0.839 2.203 -1.136 1.00 3.01 H new ATOM 0 H3 MET A 0 0.393 1.108 0.082 1.00 3.01 H new ATOM 0 HA MET A 0 2.810 0.861 -1.572 1.00 1.53 H new ATOM 0 HB2 MET A 0 2.602 -0.233 0.779 1.00 70.41 H new ATOM 0 HB3 MET A 0 1.348 -1.241 0.082 1.00 70.41 H new ATOM 0 HG2 MET A 0 4.094 -1.013 -1.219 1.00 51.34 H new ATOM 0 HG3 MET A 0 3.791 -2.160 0.071 1.00 51.34 H new ATOM 0 HE1 MET A 0 3.374 -4.908 -2.421 1.00 1.53 H new ATOM 0 HE2 MET A 0 4.701 -3.794 -2.015 1.00 1.53 H new ATOM 0 HE3 MET A 0 3.681 -4.472 -0.723 1.00 1.53 H new ATOM 18 N ASN A 1 -0.223 -0.344 -1.970 1.00 12.21 N ATOM 19 CA ASN A 1 -1.149 -0.884 -2.951 1.00 40.30 C ATOM 20 C ASN A 1 -1.826 0.269 -3.696 1.00 23.14 C ATOM 21 O ASN A 1 -2.839 0.797 -3.240 1.00 41.00 O ATOM 22 CB ASN A 1 -2.241 -1.717 -2.278 1.00 22.43 C ATOM 23 CG ASN A 1 -1.633 -2.852 -1.451 1.00 61.42 C ATOM 24 OD1 ASN A 1 -0.616 -3.431 -1.797 1.00 3.33 O ATOM 25 ND2 ASN A 1 -2.311 -3.138 -0.343 1.00 43.22 N ATOM 0 H ASN A 1 -0.632 -0.159 -1.054 1.00 12.21 H new ATOM 0 HA ASN A 1 -0.584 -1.516 -3.636 1.00 40.30 H new ATOM 0 HB2 ASN A 1 -2.847 -1.078 -1.635 1.00 22.43 H new ATOM 0 HB3 ASN A 1 -2.907 -2.130 -3.035 1.00 22.43 H new ATOM 0 HD21 ASN A 1 -1.987 -3.881 0.276 1.00 43.22 H new ATOM 0 HD22 ASN A 1 -3.155 -2.614 -0.112 1.00 43.22 H new ATOM 32 N GLN A 2 -1.238 0.625 -4.829 1.00 14.15 N ATOM 33 CA GLN A 2 -1.772 1.705 -5.641 1.00 1.53 C ATOM 34 C GLN A 2 -2.488 1.142 -6.869 1.00 73.25 C ATOM 35 O GLN A 2 -1.935 0.310 -7.588 1.00 14.42 O ATOM 36 CB GLN A 2 -0.667 2.681 -6.050 1.00 2.11 C ATOM 37 CG GLN A 2 0.382 1.988 -6.922 1.00 73.41 C ATOM 38 CD GLN A 2 0.508 2.679 -8.281 1.00 61.43 C ATOM 39 OE1 GLN A 2 1.592 2.899 -8.796 1.00 61.33 O ATOM 40 NE2 GLN A 2 -0.657 3.007 -8.832 1.00 12.23 N ATOM 0 H GLN A 2 -0.398 0.185 -5.203 1.00 14.15 H new ATOM 0 HA GLN A 2 -2.497 2.258 -5.044 1.00 1.53 H new ATOM 0 HB2 GLN A 2 -1.101 3.520 -6.594 1.00 2.11 H new ATOM 0 HB3 GLN A 2 -0.191 3.091 -5.159 1.00 2.11 H new ATOM 0 HG2 GLN A 2 1.346 1.998 -6.414 1.00 73.41 H new ATOM 0 HG3 GLN A 2 0.108 0.943 -7.065 1.00 73.41 H new ATOM 0 HE21 GLN A 2 -1.529 2.794 -8.347 1.00 12.23 H new ATOM 0 HE22 GLN A 2 -0.679 3.472 -9.740 1.00 12.23 H new ATOM 49 N GLU A 3 -3.708 1.617 -7.073 1.00 72.04 N ATOM 50 CA GLU A 3 -4.506 1.171 -8.203 1.00 20.20 C ATOM 51 C GLU A 3 -3.849 1.595 -9.518 1.00 2.53 C ATOM 52 O GLU A 3 -3.454 2.750 -9.674 1.00 22.11 O ATOM 53 CB GLU A 3 -5.937 1.704 -8.108 1.00 61.31 C ATOM 54 CG GLU A 3 -6.862 0.677 -7.451 1.00 50.14 C ATOM 55 CD GLU A 3 -8.322 1.127 -7.529 1.00 35.34 C ATOM 56 OE1 GLU A 3 -9.234 0.295 -7.411 1.00 73.51 O ATOM 57 OE2 GLU A 3 -8.495 2.391 -7.717 1.00 5.21 O ATOM 0 H GLU A 3 -4.164 2.306 -6.475 1.00 72.04 H new ATOM 0 HA GLU A 3 -4.556 0.082 -8.180 1.00 20.20 H new ATOM 0 HB2 GLU A 3 -5.947 2.629 -7.531 1.00 61.31 H new ATOM 0 HB3 GLU A 3 -6.306 1.946 -9.105 1.00 61.31 H new ATOM 0 HG2 GLU A 3 -6.748 -0.288 -7.944 1.00 50.14 H new ATOM 0 HG3 GLU A 3 -6.575 0.538 -6.409 1.00 50.14 H new ATOM 65 N SER A 4 -3.752 0.639 -10.430 1.00 1.42 N ATOM 66 CA SER A 4 -3.149 0.900 -11.726 1.00 74.11 C ATOM 67 C SER A 4 -4.174 0.660 -12.837 1.00 64.30 C ATOM 68 O SER A 4 -4.986 -0.260 -12.749 1.00 64.14 O ATOM 69 CB SER A 4 -1.914 0.025 -11.945 1.00 62.30 C ATOM 70 OG SER A 4 -1.257 -0.288 -10.720 1.00 10.15 O ATOM 0 H SER A 4 -4.081 -0.317 -10.297 1.00 1.42 H new ATOM 0 HA SER A 4 -2.831 1.942 -11.752 1.00 74.11 H new ATOM 0 HB2 SER A 4 -2.208 -0.898 -12.445 1.00 62.30 H new ATOM 0 HB3 SER A 4 -1.218 0.539 -12.608 1.00 62.30 H new ATOM 0 HG SER A 4 -1.243 -1.260 -10.595 1.00 10.15 H new ATOM 76 N VAL A 5 -4.102 1.503 -13.857 1.00 21.25 N ATOM 77 CA VAL A 5 -5.013 1.394 -14.983 1.00 62.24 C ATOM 78 C VAL A 5 -4.942 -0.024 -15.555 1.00 52.53 C ATOM 79 O VAL A 5 -3.857 -0.580 -15.712 1.00 64.03 O ATOM 80 CB VAL A 5 -4.695 2.473 -16.020 1.00 5.31 C ATOM 81 CG1 VAL A 5 -5.536 2.285 -17.284 1.00 30.13 C ATOM 82 CG2 VAL A 5 -4.892 3.872 -15.433 1.00 11.32 C ATOM 0 H VAL A 5 -3.427 2.264 -13.927 1.00 21.25 H new ATOM 0 HA VAL A 5 -6.040 1.564 -14.661 1.00 62.24 H new ATOM 0 HB VAL A 5 -3.646 2.371 -16.298 1.00 5.31 H new ATOM 0 HG11 VAL A 5 -5.290 3.065 -18.004 1.00 30.13 H new ATOM 0 HG12 VAL A 5 -5.324 1.309 -17.720 1.00 30.13 H new ATOM 0 HG13 VAL A 5 -6.594 2.347 -17.030 1.00 30.13 H new ATOM 0 HG21 VAL A 5 -4.659 4.620 -16.190 1.00 11.32 H new ATOM 0 HG22 VAL A 5 -5.927 3.990 -15.113 1.00 11.32 H new ATOM 0 HG23 VAL A 5 -4.230 4.004 -14.577 1.00 11.32 H new ATOM 92 N VAL A 6 -6.114 -0.567 -15.851 1.00 42.11 N ATOM 93 CA VAL A 6 -6.199 -1.909 -16.402 1.00 44.33 C ATOM 94 C VAL A 6 -7.258 -1.936 -17.506 1.00 42.11 C ATOM 95 O VAL A 6 -8.427 -1.649 -17.256 1.00 75.12 O ATOM 96 CB VAL A 6 -6.474 -2.917 -15.285 1.00 23.01 C ATOM 97 CG1 VAL A 6 -6.839 -4.287 -15.860 1.00 53.32 C ATOM 98 CG2 VAL A 6 -5.279 -3.022 -14.335 1.00 62.31 C ATOM 0 H VAL A 6 -7.012 -0.102 -15.720 1.00 42.11 H new ATOM 0 HA VAL A 6 -5.250 -2.197 -16.855 1.00 44.33 H new ATOM 0 HB VAL A 6 -7.328 -2.556 -14.711 1.00 23.01 H new ATOM 0 HG11 VAL A 6 -7.030 -4.985 -15.045 1.00 53.32 H new ATOM 0 HG12 VAL A 6 -7.733 -4.196 -16.476 1.00 53.32 H new ATOM 0 HG13 VAL A 6 -6.014 -4.657 -16.469 1.00 53.32 H new ATOM 0 HG21 VAL A 6 -5.501 -3.745 -13.550 1.00 62.31 H new ATOM 0 HG22 VAL A 6 -4.400 -3.348 -14.891 1.00 62.31 H new ATOM 0 HG23 VAL A 6 -5.084 -2.048 -13.886 1.00 62.31 H new ATOM 108 N ALA A 7 -6.810 -2.283 -18.704 1.00 23.44 N ATOM 109 CA ALA A 7 -7.704 -2.352 -19.847 1.00 13.25 C ATOM 110 C ALA A 7 -9.002 -3.047 -19.432 1.00 34.53 C ATOM 111 O ALA A 7 -9.046 -4.272 -19.320 1.00 55.41 O ATOM 112 CB ALA A 7 -7.003 -3.068 -21.002 1.00 65.01 C ATOM 0 H ALA A 7 -5.839 -2.519 -18.908 1.00 23.44 H new ATOM 0 HA ALA A 7 -7.962 -1.351 -20.193 1.00 13.25 H new ATOM 0 HB1 ALA A 7 -7.674 -3.119 -21.859 1.00 65.01 H new ATOM 0 HB2 ALA A 7 -6.103 -2.518 -21.278 1.00 65.01 H new ATOM 0 HB3 ALA A 7 -6.731 -4.077 -20.693 1.00 65.01 H new ATOM 118 N ALA A 8 -10.027 -2.237 -19.215 1.00 15.33 N ATOM 119 CA ALA A 8 -11.323 -2.759 -18.815 1.00 11.13 C ATOM 120 C ALA A 8 -11.919 -3.570 -19.967 1.00 52.21 C ATOM 121 O ALA A 8 -12.912 -4.273 -19.788 1.00 14.14 O ATOM 122 CB ALA A 8 -12.229 -1.603 -18.385 1.00 70.22 C ATOM 0 H ALA A 8 -9.987 -1.222 -19.309 1.00 15.33 H new ATOM 0 HA ALA A 8 -11.220 -3.427 -17.960 1.00 11.13 H new ATOM 0 HB1 ALA A 8 -13.201 -1.995 -18.085 1.00 70.22 H new ATOM 0 HB2 ALA A 8 -11.775 -1.078 -17.545 1.00 70.22 H new ATOM 0 HB3 ALA A 8 -12.358 -0.912 -19.218 1.00 70.22 H new ATOM 128 N VAL A 9 -11.288 -3.445 -21.125 1.00 44.21 N ATOM 129 CA VAL A 9 -11.743 -4.157 -22.307 1.00 31.33 C ATOM 130 C VAL A 9 -10.584 -4.287 -23.297 1.00 71.01 C ATOM 131 O VAL A 9 -9.532 -3.677 -23.111 1.00 15.12 O ATOM 132 CB VAL A 9 -12.964 -3.454 -22.904 1.00 22.12 C ATOM 133 CG1 VAL A 9 -14.147 -3.494 -21.935 1.00 55.23 C ATOM 134 CG2 VAL A 9 -12.628 -2.015 -23.301 1.00 22.14 C ATOM 0 H VAL A 9 -10.465 -2.861 -21.270 1.00 44.21 H new ATOM 0 HA VAL A 9 -12.061 -5.166 -22.046 1.00 31.33 H new ATOM 0 HB VAL A 9 -13.253 -3.992 -23.807 1.00 22.12 H new ATOM 0 HG11 VAL A 9 -15.002 -2.988 -22.383 1.00 55.23 H new ATOM 0 HG12 VAL A 9 -14.409 -4.531 -21.724 1.00 55.23 H new ATOM 0 HG13 VAL A 9 -13.874 -2.992 -21.007 1.00 55.23 H new ATOM 0 HG21 VAL A 9 -13.513 -1.538 -23.723 1.00 22.14 H new ATOM 0 HG22 VAL A 9 -12.302 -1.461 -22.421 1.00 22.14 H new ATOM 0 HG23 VAL A 9 -11.830 -2.019 -24.043 1.00 22.14 H new ATOM 144 N LEU A 10 -10.816 -5.086 -24.328 1.00 43.24 N ATOM 145 CA LEU A 10 -9.804 -5.303 -25.348 1.00 70.45 C ATOM 146 C LEU A 10 -9.548 -3.992 -26.095 1.00 20.45 C ATOM 147 O LEU A 10 -10.231 -3.686 -27.071 1.00 2.13 O ATOM 148 CB LEU A 10 -10.205 -6.463 -26.263 1.00 14.15 C ATOM 149 CG LEU A 10 -9.497 -6.525 -27.617 1.00 53.04 C ATOM 150 CD1 LEU A 10 -8.171 -7.279 -27.509 1.00 21.53 C ATOM 151 CD2 LEU A 10 -10.412 -7.125 -28.687 1.00 50.01 C ATOM 0 H LEU A 10 -11.689 -5.591 -24.479 1.00 43.24 H new ATOM 0 HA LEU A 10 -8.860 -5.599 -24.890 1.00 70.45 H new ATOM 0 HB2 LEU A 10 -10.018 -7.398 -25.735 1.00 14.15 H new ATOM 0 HB3 LEU A 10 -11.279 -6.406 -26.439 1.00 14.15 H new ATOM 0 HG LEU A 10 -9.263 -5.506 -27.927 1.00 53.04 H new ATOM 0 HD11 LEU A 10 -7.688 -7.308 -28.486 1.00 21.53 H new ATOM 0 HD12 LEU A 10 -7.520 -6.770 -26.798 1.00 21.53 H new ATOM 0 HD13 LEU A 10 -8.358 -8.297 -27.166 1.00 21.53 H new ATOM 0 HD21 LEU A 10 -9.884 -7.158 -29.640 1.00 50.01 H new ATOM 0 HD22 LEU A 10 -10.698 -8.136 -28.396 1.00 50.01 H new ATOM 0 HD23 LEU A 10 -11.306 -6.510 -28.788 1.00 50.01 H new ATOM 163 N ILE A 11 -8.562 -3.254 -25.607 1.00 13.25 N ATOM 164 CA ILE A 11 -8.208 -1.983 -26.215 1.00 5.21 C ATOM 165 C ILE A 11 -7.296 -2.235 -27.418 1.00 14.31 C ATOM 166 O ILE A 11 -6.171 -2.705 -27.261 1.00 20.40 O ATOM 167 CB ILE A 11 -7.603 -1.040 -25.172 1.00 51.04 C ATOM 168 CG1 ILE A 11 -8.131 -1.360 -23.772 1.00 51.44 C ATOM 169 CG2 ILE A 11 -7.839 0.423 -25.554 1.00 31.21 C ATOM 170 CD1 ILE A 11 -7.962 -0.162 -22.836 1.00 4.23 C ATOM 0 H ILE A 11 -7.997 -3.512 -24.798 1.00 13.25 H new ATOM 0 HA ILE A 11 -9.099 -1.478 -26.589 1.00 5.21 H new ATOM 0 HB ILE A 11 -6.525 -1.198 -25.153 1.00 51.04 H new ATOM 0 HG12 ILE A 11 -9.184 -1.635 -23.831 1.00 51.44 H new ATOM 0 HG13 ILE A 11 -7.599 -2.221 -23.367 1.00 51.44 H new ATOM 0 HG21 ILE A 11 -7.399 1.072 -24.797 1.00 31.21 H new ATOM 0 HG22 ILE A 11 -7.376 0.626 -26.519 1.00 31.21 H new ATOM 0 HG23 ILE A 11 -8.910 0.614 -25.618 1.00 31.21 H new ATOM 0 HD11 ILE A 11 -8.345 -0.416 -21.848 1.00 4.23 H new ATOM 0 HD12 ILE A 11 -6.905 0.095 -22.761 1.00 4.23 H new ATOM 0 HD13 ILE A 11 -8.515 0.690 -23.232 1.00 4.23 H new ATOM 182 N PRO A 12 -7.831 -1.902 -28.623 1.00 42.53 N ATOM 183 CA PRO A 12 -7.078 -2.087 -29.852 1.00 54.24 C ATOM 184 C PRO A 12 -5.994 -1.017 -29.998 1.00 54.13 C ATOM 185 O PRO A 12 -5.950 -0.063 -29.223 1.00 20.33 O ATOM 186 CB PRO A 12 -8.117 -2.035 -30.961 1.00 60.20 C ATOM 187 CG PRO A 12 -9.339 -1.363 -30.357 1.00 2.44 C ATOM 188 CD PRO A 12 -9.160 -1.342 -28.847 1.00 55.33 C ATOM 0 HA PRO A 12 -6.536 -3.033 -29.875 1.00 54.24 H new ATOM 0 HB2 PRO A 12 -7.746 -1.473 -31.818 1.00 60.20 H new ATOM 0 HB3 PRO A 12 -8.358 -3.036 -31.317 1.00 60.20 H new ATOM 0 HG2 PRO A 12 -9.447 -0.349 -30.743 1.00 2.44 H new ATOM 0 HG3 PRO A 12 -10.245 -1.905 -30.627 1.00 2.44 H new ATOM 0 HD2 PRO A 12 -9.234 -0.328 -28.454 1.00 55.33 H new ATOM 0 HD3 PRO A 12 -9.928 -1.934 -28.349 1.00 55.33 H new ATOM 196 N ILE A 13 -5.147 -1.211 -30.998 1.00 61.20 N ATOM 197 CA ILE A 13 -4.066 -0.275 -31.256 1.00 11.33 C ATOM 198 C ILE A 13 -4.648 1.031 -31.800 1.00 42.35 C ATOM 199 O ILE A 13 -5.721 1.034 -32.402 1.00 21.04 O ATOM 200 CB ILE A 13 -3.015 -0.908 -32.169 1.00 62.12 C ATOM 201 CG1 ILE A 13 -1.802 0.011 -32.329 1.00 22.24 C ATOM 202 CG2 ILE A 13 -3.623 -1.294 -33.519 1.00 63.32 C ATOM 203 CD1 ILE A 13 -0.642 -0.724 -33.004 1.00 74.13 C ATOM 0 H ILE A 13 -5.187 -2.003 -31.640 1.00 61.20 H new ATOM 0 HA ILE A 13 -3.544 -0.031 -30.331 1.00 11.33 H new ATOM 0 HB ILE A 13 -2.663 -1.827 -31.699 1.00 62.12 H new ATOM 0 HG12 ILE A 13 -2.078 0.884 -32.921 1.00 22.24 H new ATOM 0 HG13 ILE A 13 -1.486 0.376 -31.352 1.00 22.24 H new ATOM 0 HG21 ILE A 13 -2.855 -1.742 -34.149 1.00 63.32 H new ATOM 0 HG22 ILE A 13 -4.429 -2.012 -33.363 1.00 63.32 H new ATOM 0 HG23 ILE A 13 -4.019 -0.404 -34.007 1.00 63.32 H new ATOM 0 HD11 ILE A 13 0.207 -0.048 -33.106 1.00 74.13 H new ATOM 0 HD12 ILE A 13 -0.352 -1.582 -32.397 1.00 74.13 H new ATOM 0 HD13 ILE A 13 -0.953 -1.066 -33.991 1.00 74.13 H new ATOM 215 N ASN A 14 -3.914 2.110 -31.571 1.00 3.03 N ATOM 216 CA ASN A 14 -4.343 3.420 -32.031 1.00 32.41 C ATOM 217 C ASN A 14 -5.848 3.570 -31.797 1.00 23.44 C ATOM 218 O ASN A 14 -6.597 3.873 -32.724 1.00 22.30 O ATOM 219 CB ASN A 14 -4.078 3.591 -33.528 1.00 15.41 C ATOM 220 CG ASN A 14 -2.659 4.104 -33.778 1.00 41.24 C ATOM 221 OD1 ASN A 14 -2.242 5.129 -33.265 1.00 42.52 O ATOM 222 ND2 ASN A 14 -1.942 3.336 -34.594 1.00 53.11 N ATOM 0 H ASN A 14 -3.024 2.104 -31.072 1.00 3.03 H new ATOM 0 HA ASN A 14 -3.782 4.173 -31.477 1.00 32.41 H new ATOM 0 HB2 ASN A 14 -4.219 2.638 -34.037 1.00 15.41 H new ATOM 0 HB3 ASN A 14 -4.801 4.288 -33.952 1.00 15.41 H new ATOM 0 HD21 ASN A 14 -0.982 3.593 -34.824 1.00 53.11 H new ATOM 0 HD22 ASN A 14 -2.352 2.490 -34.990 1.00 53.11 H new ATOM 229 N THR A 15 -6.245 3.350 -30.552 1.00 11.31 N ATOM 230 CA THR A 15 -7.647 3.457 -30.184 1.00 3.20 C ATOM 231 C THR A 15 -7.824 4.465 -29.046 1.00 70.42 C ATOM 232 O THR A 15 -7.142 4.381 -28.026 1.00 32.40 O ATOM 233 CB THR A 15 -8.153 2.055 -29.839 1.00 12.42 C ATOM 234 OG1 THR A 15 -8.123 1.360 -31.082 1.00 33.40 O ATOM 235 CG2 THR A 15 -9.631 2.048 -29.443 1.00 31.30 C ATOM 0 H THR A 15 -5.621 3.098 -29.786 1.00 11.31 H new ATOM 0 HA THR A 15 -8.245 3.840 -31.011 1.00 3.20 H new ATOM 0 HB THR A 15 -7.557 1.644 -29.024 1.00 12.42 H new ATOM 0 HG1 THR A 15 -7.197 1.290 -31.396 1.00 33.40 H new ATOM 0 HG21 THR A 15 -9.940 1.029 -29.208 1.00 31.30 H new ATOM 0 HG22 THR A 15 -9.776 2.682 -28.568 1.00 31.30 H new ATOM 0 HG23 THR A 15 -10.231 2.427 -30.270 1.00 31.30 H new ATOM 243 N ALA A 16 -8.743 5.394 -29.260 1.00 15.31 N ATOM 244 CA ALA A 16 -9.019 6.417 -28.265 1.00 31.10 C ATOM 245 C ALA A 16 -9.449 5.748 -26.958 1.00 32.20 C ATOM 246 O ALA A 16 -10.309 4.868 -26.960 1.00 64.24 O ATOM 247 CB ALA A 16 -10.079 7.380 -28.803 1.00 41.30 C ATOM 0 H ALA A 16 -9.306 5.460 -30.108 1.00 15.31 H new ATOM 0 HA ALA A 16 -8.123 7.002 -28.057 1.00 31.10 H new ATOM 0 HB1 ALA A 16 -10.286 8.147 -28.057 1.00 41.30 H new ATOM 0 HB2 ALA A 16 -9.713 7.851 -29.716 1.00 41.30 H new ATOM 0 HB3 ALA A 16 -10.994 6.829 -29.021 1.00 41.30 H new ATOM 253 N LEU A 17 -8.832 6.191 -25.873 1.00 23.34 N ATOM 254 CA LEU A 17 -9.140 5.646 -24.561 1.00 61.23 C ATOM 255 C LEU A 17 -10.356 6.374 -23.984 1.00 64.22 C ATOM 256 O LEU A 17 -10.488 7.587 -24.138 1.00 61.01 O ATOM 257 CB LEU A 17 -7.907 5.696 -23.657 1.00 63.31 C ATOM 258 CG LEU A 17 -6.726 4.821 -24.084 1.00 33.22 C ATOM 259 CD1 LEU A 17 -5.464 5.181 -23.297 1.00 74.12 C ATOM 260 CD2 LEU A 17 -7.073 3.335 -23.963 1.00 3.41 C ATOM 0 H LEU A 17 -8.120 6.921 -25.875 1.00 23.34 H new ATOM 0 HA LEU A 17 -9.406 4.592 -24.639 1.00 61.23 H new ATOM 0 HB2 LEU A 17 -7.565 6.729 -23.599 1.00 63.31 H new ATOM 0 HB3 LEU A 17 -8.206 5.402 -22.651 1.00 63.31 H new ATOM 0 HG LEU A 17 -6.517 5.018 -25.135 1.00 33.22 H new ATOM 0 HD11 LEU A 17 -4.640 4.545 -23.620 1.00 74.12 H new ATOM 0 HD12 LEU A 17 -5.208 6.225 -23.477 1.00 74.12 H new ATOM 0 HD13 LEU A 17 -5.644 5.030 -22.233 1.00 74.12 H new ATOM 0 HD21 LEU A 17 -6.217 2.735 -24.272 1.00 3.41 H new ATOM 0 HD22 LEU A 17 -7.324 3.103 -22.928 1.00 3.41 H new ATOM 0 HD23 LEU A 17 -7.926 3.107 -24.602 1.00 3.41 H new ATOM 272 N THR A 18 -11.213 5.602 -23.332 1.00 5.32 N ATOM 273 CA THR A 18 -12.413 6.159 -22.731 1.00 21.52 C ATOM 274 C THR A 18 -12.487 5.789 -21.248 1.00 75.31 C ATOM 275 O THR A 18 -11.667 5.017 -20.755 1.00 64.42 O ATOM 276 CB THR A 18 -13.616 5.671 -23.540 1.00 73.10 C ATOM 277 OG1 THR A 18 -13.292 4.322 -23.866 1.00 41.31 O ATOM 278 CG2 THR A 18 -13.729 6.366 -24.898 1.00 61.04 C ATOM 0 H THR A 18 -11.100 4.596 -23.207 1.00 5.32 H new ATOM 0 HA THR A 18 -12.403 7.249 -22.762 1.00 21.52 H new ATOM 0 HB THR A 18 -14.529 5.839 -22.969 1.00 73.10 H new ATOM 0 HG1 THR A 18 -13.572 4.131 -24.786 1.00 41.31 H new ATOM 0 HG21 THR A 18 -14.599 5.983 -25.431 1.00 61.04 H new ATOM 0 HG22 THR A 18 -13.838 7.440 -24.749 1.00 61.04 H new ATOM 0 HG23 THR A 18 -12.830 6.171 -25.483 1.00 61.04 H new ATOM 286 N VAL A 19 -13.479 6.357 -20.579 1.00 14.24 N ATOM 287 CA VAL A 19 -13.672 6.097 -19.162 1.00 60.10 C ATOM 288 C VAL A 19 -14.383 4.754 -18.987 1.00 31.42 C ATOM 289 O VAL A 19 -14.418 4.204 -17.887 1.00 3.43 O ATOM 290 CB VAL A 19 -14.424 7.261 -18.514 1.00 34.23 C ATOM 291 CG1 VAL A 19 -15.937 7.046 -18.589 1.00 72.43 C ATOM 292 CG2 VAL A 19 -13.972 7.468 -17.067 1.00 44.41 C ATOM 0 H VAL A 19 -14.158 6.997 -20.992 1.00 14.24 H new ATOM 0 HA VAL A 19 -12.711 6.025 -18.652 1.00 60.10 H new ATOM 0 HB VAL A 19 -14.186 8.166 -19.073 1.00 34.23 H new ATOM 0 HG11 VAL A 19 -16.448 7.888 -18.121 1.00 72.43 H new ATOM 0 HG12 VAL A 19 -16.242 6.971 -19.633 1.00 72.43 H new ATOM 0 HG13 VAL A 19 -16.200 6.126 -18.067 1.00 72.43 H new ATOM 0 HG21 VAL A 19 -14.522 8.301 -16.630 1.00 44.41 H new ATOM 0 HG22 VAL A 19 -14.167 6.563 -16.492 1.00 44.41 H new ATOM 0 HG23 VAL A 19 -12.905 7.688 -17.047 1.00 44.41 H new ATOM 302 N GLY A 20 -14.933 4.263 -20.088 1.00 0.30 N ATOM 303 CA GLY A 20 -15.641 2.995 -20.070 1.00 33.21 C ATOM 304 C GLY A 20 -14.787 1.881 -20.679 1.00 10.01 C ATOM 305 O GLY A 20 -15.280 0.782 -20.930 1.00 0.34 O ATOM 0 H GLY A 20 -14.902 4.721 -20.999 1.00 0.30 H new ATOM 0 HA2 GLY A 20 -15.905 2.736 -19.045 1.00 33.21 H new ATOM 0 HA3 GLY A 20 -16.574 3.088 -20.626 1.00 33.21 H new ATOM 309 N MET A 21 -13.521 2.203 -20.899 1.00 40.41 N ATOM 310 CA MET A 21 -12.593 1.244 -21.474 1.00 35.21 C ATOM 311 C MET A 21 -11.499 0.871 -20.472 1.00 1.21 C ATOM 312 O MET A 21 -11.007 -0.256 -20.475 1.00 34.42 O ATOM 313 CB MET A 21 -11.955 1.840 -22.730 1.00 3.33 C ATOM 314 CG MET A 21 -12.660 1.343 -23.993 1.00 32.41 C ATOM 315 SD MET A 21 -11.463 1.037 -25.281 1.00 2.31 S ATOM 316 CE MET A 21 -10.583 2.590 -25.260 1.00 43.13 C ATOM 0 H MET A 21 -13.116 3.115 -20.689 1.00 40.41 H new ATOM 0 HA MET A 21 -13.146 0.341 -21.731 1.00 35.21 H new ATOM 0 HB2 MET A 21 -12.005 2.928 -22.686 1.00 3.33 H new ATOM 0 HB3 MET A 21 -10.900 1.571 -22.769 1.00 3.33 H new ATOM 0 HG2 MET A 21 -13.213 0.429 -23.775 1.00 32.41 H new ATOM 0 HG3 MET A 21 -13.386 2.083 -24.329 1.00 32.41 H new ATOM 0 HE1 MET A 21 -9.903 2.634 -26.110 1.00 43.13 H new ATOM 0 HE2 MET A 21 -11.295 3.413 -25.322 1.00 43.13 H new ATOM 0 HE3 MET A 21 -10.013 2.673 -24.335 1.00 43.13 H new ATOM 326 N MET A 22 -11.149 1.840 -19.639 1.00 12.14 N ATOM 327 CA MET A 22 -10.122 1.628 -18.633 1.00 42.02 C ATOM 328 C MET A 22 -10.744 1.297 -17.275 1.00 2.31 C ATOM 329 O MET A 22 -11.952 1.439 -17.090 1.00 44.12 O ATOM 330 CB MET A 22 -9.262 2.887 -18.508 1.00 51.31 C ATOM 331 CG MET A 22 -8.443 3.120 -19.779 1.00 42.32 C ATOM 332 SD MET A 22 -7.677 4.732 -19.725 1.00 75.04 S ATOM 333 CE MET A 22 -9.096 5.760 -20.067 1.00 40.30 C ATOM 0 H MET A 22 -11.558 2.774 -19.640 1.00 12.14 H new ATOM 0 HA MET A 22 -9.505 0.785 -18.943 1.00 42.02 H new ATOM 0 HB2 MET A 22 -9.900 3.750 -18.319 1.00 51.31 H new ATOM 0 HB3 MET A 22 -8.593 2.791 -17.653 1.00 51.31 H new ATOM 0 HG2 MET A 22 -7.679 2.348 -19.876 1.00 42.32 H new ATOM 0 HG3 MET A 22 -9.087 3.043 -20.655 1.00 42.32 H new ATOM 0 HE1 MET A 22 -8.769 6.784 -20.246 1.00 40.30 H new ATOM 0 HE2 MET A 22 -9.613 5.384 -20.950 1.00 40.30 H new ATOM 0 HE3 MET A 22 -9.774 5.740 -19.214 1.00 40.30 H new ATOM 343 N THR A 23 -9.891 0.863 -16.359 1.00 64.22 N ATOM 344 CA THR A 23 -10.341 0.511 -15.023 1.00 73.25 C ATOM 345 C THR A 23 -9.173 0.557 -14.037 1.00 2.21 C ATOM 346 O THR A 23 -8.014 0.615 -14.444 1.00 43.43 O ATOM 347 CB THR A 23 -11.019 -0.859 -15.099 1.00 1.22 C ATOM 348 OG1 THR A 23 -12.065 -0.782 -14.134 1.00 25.43 O ATOM 349 CG2 THR A 23 -10.120 -1.986 -14.586 1.00 12.12 C ATOM 0 H THR A 23 -8.890 0.747 -16.516 1.00 64.22 H new ATOM 0 HA THR A 23 -11.069 1.230 -14.648 1.00 73.25 H new ATOM 0 HB THR A 23 -11.307 -1.065 -16.130 1.00 1.22 H new ATOM 0 HG1 THR A 23 -12.558 -1.629 -14.118 1.00 25.43 H new ATOM 0 HG21 THR A 23 -10.649 -2.936 -14.662 1.00 12.12 H new ATOM 0 HG22 THR A 23 -9.211 -2.028 -15.186 1.00 12.12 H new ATOM 0 HG23 THR A 23 -9.859 -1.798 -13.544 1.00 12.12 H new ATOM 357 N THR A 24 -9.518 0.530 -12.758 1.00 73.42 N ATOM 358 CA THR A 24 -8.513 0.568 -11.710 1.00 65.22 C ATOM 359 C THR A 24 -8.421 -0.789 -11.010 1.00 23.24 C ATOM 360 O THR A 24 -9.441 -1.392 -10.679 1.00 41.34 O ATOM 361 CB THR A 24 -8.860 1.718 -10.763 1.00 42.33 C ATOM 362 OG1 THR A 24 -10.006 1.253 -10.057 1.00 74.40 O ATOM 363 CG2 THR A 24 -9.359 2.959 -11.507 1.00 62.33 C ATOM 0 H THR A 24 -10.481 0.482 -12.424 1.00 73.42 H new ATOM 0 HA THR A 24 -7.521 0.755 -12.121 1.00 65.22 H new ATOM 0 HB THR A 24 -7.982 1.978 -10.171 1.00 42.33 H new ATOM 0 HG1 THR A 24 -10.297 1.938 -9.419 1.00 74.40 H new ATOM 0 HG21 THR A 24 -9.591 3.745 -10.789 1.00 62.33 H new ATOM 0 HG22 THR A 24 -8.585 3.309 -12.190 1.00 62.33 H new ATOM 0 HG23 THR A 24 -10.256 2.708 -12.073 1.00 62.33 H new ATOM 371 N ARG A 25 -7.189 -1.230 -10.803 1.00 64.53 N ATOM 372 CA ARG A 25 -6.950 -2.505 -10.148 1.00 31.22 C ATOM 373 C ARG A 25 -5.495 -2.600 -9.685 1.00 62.11 C ATOM 374 O ARG A 25 -4.592 -2.109 -10.361 1.00 2.15 O ATOM 375 CB ARG A 25 -7.257 -3.673 -11.087 1.00 64.32 C ATOM 376 CG ARG A 25 -8.395 -4.535 -10.537 1.00 53.24 C ATOM 377 CD ARG A 25 -9.649 -4.405 -11.405 1.00 61.20 C ATOM 378 NE ARG A 25 -10.221 -5.744 -11.670 1.00 54.12 N ATOM 379 CZ ARG A 25 -11.524 -5.970 -11.942 1.00 14.33 C ATOM 380 NH1 ARG A 25 -12.402 -4.945 -11.986 1.00 75.22 N ATOM 381 NH2 ARG A 25 -11.927 -7.207 -12.163 1.00 31.11 N ATOM 0 H ARG A 25 -6.345 -0.727 -11.077 1.00 64.53 H new ATOM 0 HA ARG A 25 -7.614 -2.564 -9.285 1.00 31.22 H new ATOM 0 HB2 ARG A 25 -7.528 -3.291 -12.071 1.00 64.32 H new ATOM 0 HB3 ARG A 25 -6.364 -4.284 -11.217 1.00 64.32 H new ATOM 0 HG2 ARG A 25 -8.081 -5.578 -10.499 1.00 53.24 H new ATOM 0 HG3 ARG A 25 -8.623 -4.234 -9.515 1.00 53.24 H new ATOM 0 HD2 ARG A 25 -10.386 -3.778 -10.903 1.00 61.20 H new ATOM 0 HD3 ARG A 25 -9.401 -3.914 -12.346 1.00 61.20 H new ATOM 0 HE ARG A 25 -9.592 -6.546 -11.646 1.00 54.12 H new ATOM 0 HH11 ARG A 25 -12.082 -3.992 -11.813 1.00 75.22 H new ATOM 0 HH12 ARG A 25 -13.385 -5.124 -12.192 1.00 75.22 H new ATOM 0 HH21 ARG A 25 -11.257 -7.976 -12.127 1.00 31.11 H new ATOM 0 HH22 ARG A 25 -12.908 -7.394 -12.370 1.00 31.11 H new ATOM 394 N VAL A 26 -5.313 -3.235 -8.537 1.00 24.22 N ATOM 395 CA VAL A 26 -3.982 -3.401 -7.976 1.00 14.21 C ATOM 396 C VAL A 26 -3.285 -4.574 -8.667 1.00 44.12 C ATOM 397 O VAL A 26 -3.261 -5.685 -8.140 1.00 12.12 O ATOM 398 CB VAL A 26 -4.072 -3.569 -6.458 1.00 2.22 C ATOM 399 CG1 VAL A 26 -2.678 -3.620 -5.829 1.00 30.41 C ATOM 400 CG2 VAL A 26 -4.915 -2.456 -5.832 1.00 31.22 C ATOM 0 H VAL A 26 -6.065 -3.641 -7.980 1.00 24.22 H new ATOM 0 HA VAL A 26 -3.377 -2.512 -8.156 1.00 14.21 H new ATOM 0 HB VAL A 26 -4.567 -4.519 -6.255 1.00 2.22 H new ATOM 0 HG11 VAL A 26 -2.770 -3.740 -4.750 1.00 30.41 H new ATOM 0 HG12 VAL A 26 -2.123 -4.463 -6.242 1.00 30.41 H new ATOM 0 HG13 VAL A 26 -2.146 -2.694 -6.047 1.00 30.41 H new ATOM 0 HG21 VAL A 26 -4.963 -2.599 -4.753 1.00 31.22 H new ATOM 0 HG22 VAL A 26 -4.461 -1.489 -6.050 1.00 31.22 H new ATOM 0 HG23 VAL A 26 -5.923 -2.486 -6.247 1.00 31.22 H new ATOM 410 N VAL A 27 -2.733 -4.287 -9.837 1.00 53.22 N ATOM 411 CA VAL A 27 -2.037 -5.304 -10.606 1.00 63.11 C ATOM 412 C VAL A 27 -0.529 -5.057 -10.523 1.00 31.01 C ATOM 413 O VAL A 27 -0.094 -3.940 -10.249 1.00 42.43 O ATOM 414 CB VAL A 27 -2.561 -5.324 -12.043 1.00 61.14 C ATOM 415 CG1 VAL A 27 -4.090 -5.274 -12.070 1.00 43.42 C ATOM 416 CG2 VAL A 27 -1.960 -4.180 -12.862 1.00 41.30 C ATOM 0 H VAL A 27 -2.754 -3.364 -10.271 1.00 53.22 H new ATOM 0 HA VAL A 27 -2.228 -6.294 -10.191 1.00 63.11 H new ATOM 0 HB VAL A 27 -2.249 -6.263 -12.500 1.00 61.14 H new ATOM 0 HG11 VAL A 27 -4.436 -5.289 -13.103 1.00 43.42 H new ATOM 0 HG12 VAL A 27 -4.492 -6.137 -11.540 1.00 43.42 H new ATOM 0 HG13 VAL A 27 -4.433 -4.359 -11.586 1.00 43.42 H new ATOM 0 HG21 VAL A 27 -2.349 -4.217 -13.879 1.00 41.30 H new ATOM 0 HG22 VAL A 27 -2.227 -3.227 -12.406 1.00 41.30 H new ATOM 0 HG23 VAL A 27 -0.875 -4.280 -12.885 1.00 41.30 H new ATOM 426 N SER A 28 0.226 -6.118 -10.764 1.00 64.41 N ATOM 427 CA SER A 28 1.676 -6.031 -10.720 1.00 1.32 C ATOM 428 C SER A 28 2.272 -6.542 -12.033 1.00 75.02 C ATOM 429 O SER A 28 1.850 -7.576 -12.549 1.00 51.23 O ATOM 430 CB SER A 28 2.240 -6.822 -9.538 1.00 11.10 C ATOM 431 OG SER A 28 3.449 -6.253 -9.043 1.00 12.24 O ATOM 0 H SER A 28 -0.139 -7.043 -10.991 1.00 64.41 H new ATOM 0 HA SER A 28 1.951 -4.985 -10.587 1.00 1.32 H new ATOM 0 HB2 SER A 28 1.501 -6.855 -8.738 1.00 11.10 H new ATOM 0 HB3 SER A 28 2.423 -7.852 -9.845 1.00 11.10 H new ATOM 0 HG SER A 28 3.776 -6.786 -8.288 1.00 12.24 H new ATOM 437 N PRO A 29 3.268 -5.774 -12.550 1.00 22.22 N ATOM 438 CA PRO A 29 3.707 -4.565 -11.875 1.00 4.30 C ATOM 439 C PRO A 29 2.693 -3.434 -12.060 1.00 62.25 C ATOM 440 O PRO A 29 1.962 -3.407 -13.049 1.00 61.33 O ATOM 441 CB PRO A 29 5.066 -4.249 -12.478 1.00 41.25 C ATOM 442 CG PRO A 29 5.130 -5.019 -13.787 1.00 62.23 C ATOM 443 CD PRO A 29 4.001 -6.036 -13.785 1.00 74.23 C ATOM 0 HA PRO A 29 3.785 -4.691 -10.795 1.00 4.30 H new ATOM 0 HB2 PRO A 29 5.178 -3.178 -12.649 1.00 41.25 H new ATOM 0 HB3 PRO A 29 5.871 -4.551 -11.807 1.00 41.25 H new ATOM 0 HG2 PRO A 29 5.031 -4.340 -14.634 1.00 62.23 H new ATOM 0 HG3 PRO A 29 6.093 -5.518 -13.889 1.00 62.23 H new ATOM 0 HD2 PRO A 29 3.360 -5.918 -14.659 1.00 74.23 H new ATOM 0 HD3 PRO A 29 4.386 -7.055 -13.808 1.00 74.23 H new ATOM 451 N THR A 30 2.682 -2.528 -11.094 1.00 33.22 N ATOM 452 CA THR A 30 1.770 -1.398 -11.138 1.00 75.02 C ATOM 453 C THR A 30 2.174 -0.429 -12.251 1.00 25.21 C ATOM 454 O THR A 30 3.274 0.122 -12.229 1.00 53.41 O ATOM 455 CB THR A 30 1.747 -0.754 -9.751 1.00 34.25 C ATOM 456 OG1 THR A 30 3.123 -0.599 -9.417 1.00 43.42 O ATOM 457 CG2 THR A 30 1.207 -1.700 -8.675 1.00 44.31 C ATOM 0 H THR A 30 3.290 -2.553 -10.276 1.00 33.22 H new ATOM 0 HA THR A 30 0.757 -1.718 -11.380 1.00 75.02 H new ATOM 0 HB THR A 30 1.137 0.149 -9.780 1.00 34.25 H new ATOM 0 HG1 THR A 30 3.640 -0.428 -10.232 1.00 43.42 H new ATOM 0 HG21 THR A 30 1.212 -1.194 -7.710 1.00 44.31 H new ATOM 0 HG22 THR A 30 0.187 -1.993 -8.926 1.00 44.31 H new ATOM 0 HG23 THR A 30 1.837 -2.588 -8.622 1.00 44.31 H new ATOM 465 N GLY A 31 1.264 -0.252 -13.197 1.00 45.24 N ATOM 466 CA GLY A 31 1.513 0.641 -14.317 1.00 20.23 C ATOM 467 C GLY A 31 0.910 2.023 -14.060 1.00 12.31 C ATOM 468 O GLY A 31 0.866 2.483 -12.920 1.00 52.40 O ATOM 0 H GLY A 31 0.353 -0.711 -13.212 1.00 45.24 H new ATOM 0 HA2 GLY A 31 2.587 0.733 -14.481 1.00 20.23 H new ATOM 0 HA3 GLY A 31 1.087 0.217 -15.226 1.00 20.23 H new ATOM 472 N ILE A 32 0.460 2.647 -15.139 1.00 11.02 N ATOM 473 CA ILE A 32 -0.139 3.968 -15.045 1.00 22.33 C ATOM 474 C ILE A 32 -1.071 4.015 -13.833 1.00 34.13 C ATOM 475 O ILE A 32 -1.753 3.036 -13.531 1.00 1.42 O ATOM 476 CB ILE A 32 -0.822 4.341 -16.362 1.00 13.14 C ATOM 477 CG1 ILE A 32 0.196 4.438 -17.500 1.00 32.23 C ATOM 478 CG2 ILE A 32 -1.637 5.627 -16.211 1.00 15.12 C ATOM 479 CD1 ILE A 32 -0.497 4.367 -18.862 1.00 65.12 C ATOM 0 H ILE A 32 0.498 2.262 -16.083 1.00 11.02 H new ATOM 0 HA ILE A 32 0.629 4.725 -14.886 1.00 22.33 H new ATOM 0 HB ILE A 32 -1.520 3.545 -16.622 1.00 13.14 H new ATOM 0 HG12 ILE A 32 0.750 5.373 -17.418 1.00 32.23 H new ATOM 0 HG13 ILE A 32 0.921 3.629 -17.414 1.00 32.23 H new ATOM 0 HG21 ILE A 32 -2.112 5.870 -17.161 1.00 15.12 H new ATOM 0 HG22 ILE A 32 -2.403 5.485 -15.448 1.00 15.12 H new ATOM 0 HG23 ILE A 32 -0.978 6.443 -15.916 1.00 15.12 H new ATOM 0 HD11 ILE A 32 0.249 4.438 -19.654 1.00 65.12 H new ATOM 0 HD12 ILE A 32 -1.030 3.421 -18.950 1.00 65.12 H new ATOM 0 HD13 ILE A 32 -1.204 5.192 -18.954 1.00 65.12 H new ATOM 491 N PRO A 33 -1.072 5.193 -13.153 1.00 42.04 N ATOM 492 CA PRO A 33 -1.909 5.381 -11.981 1.00 75.31 C ATOM 493 C PRO A 33 -3.375 5.570 -12.379 1.00 22.33 C ATOM 494 O PRO A 33 -3.668 6.071 -13.463 1.00 2.30 O ATOM 495 CB PRO A 33 -1.326 6.591 -11.270 1.00 60.13 C ATOM 496 CG PRO A 33 -0.479 7.314 -12.305 1.00 20.30 C ATOM 497 CD PRO A 33 -0.278 6.373 -13.482 1.00 2.30 C ATOM 0 HA PRO A 33 -1.911 4.512 -11.323 1.00 75.31 H new ATOM 0 HB2 PRO A 33 -2.116 7.239 -10.890 1.00 60.13 H new ATOM 0 HB3 PRO A 33 -0.723 6.288 -10.414 1.00 60.13 H new ATOM 0 HG2 PRO A 33 -0.972 8.231 -12.629 1.00 20.30 H new ATOM 0 HG3 PRO A 33 0.482 7.602 -11.878 1.00 20.30 H new ATOM 0 HD2 PRO A 33 -0.612 6.828 -14.414 1.00 2.30 H new ATOM 0 HD3 PRO A 33 0.774 6.119 -13.611 1.00 2.30 H new ATOM 505 N ALA A 34 -4.257 5.158 -11.480 1.00 5.14 N ATOM 506 CA ALA A 34 -5.684 5.276 -11.723 1.00 32.11 C ATOM 507 C ALA A 34 -6.059 6.756 -11.829 1.00 64.44 C ATOM 508 O ALA A 34 -7.161 7.091 -12.260 1.00 0.24 O ATOM 509 CB ALA A 34 -6.453 4.559 -10.611 1.00 64.31 C ATOM 0 H ALA A 34 -4.010 4.742 -10.582 1.00 5.14 H new ATOM 0 HA ALA A 34 -5.953 4.799 -12.666 1.00 32.11 H new ATOM 0 HB1 ALA A 34 -7.524 4.648 -10.794 1.00 64.31 H new ATOM 0 HB2 ALA A 34 -6.173 3.506 -10.596 1.00 64.31 H new ATOM 0 HB3 ALA A 34 -6.210 5.012 -9.650 1.00 64.31 H new ATOM 515 N GLU A 35 -5.120 7.601 -11.430 1.00 63.21 N ATOM 516 CA GLU A 35 -5.337 9.037 -11.475 1.00 72.23 C ATOM 517 C GLU A 35 -5.102 9.565 -12.892 1.00 2.12 C ATOM 518 O GLU A 35 -5.434 10.710 -13.194 1.00 42.22 O ATOM 519 CB GLU A 35 -4.443 9.759 -10.465 1.00 71.23 C ATOM 520 CG GLU A 35 -4.191 8.886 -9.234 1.00 12.31 C ATOM 521 CD GLU A 35 -4.071 9.742 -7.971 1.00 73.21 C ATOM 522 OE1 GLU A 35 -4.894 9.610 -7.053 1.00 10.23 O ATOM 523 OE2 GLU A 35 -3.079 10.566 -7.963 1.00 53.43 O ATOM 0 H GLU A 35 -4.207 7.319 -11.074 1.00 63.21 H new ATOM 0 HA GLU A 35 -6.373 9.237 -11.201 1.00 72.23 H new ATOM 0 HB2 GLU A 35 -3.493 10.016 -10.933 1.00 71.23 H new ATOM 0 HB3 GLU A 35 -4.913 10.695 -10.162 1.00 71.23 H new ATOM 0 HG2 GLU A 35 -5.006 8.171 -9.117 1.00 12.31 H new ATOM 0 HG3 GLU A 35 -3.278 8.308 -9.374 1.00 12.31 H new ATOM 531 N ASP A 36 -4.531 8.705 -13.722 1.00 43.24 N ATOM 532 CA ASP A 36 -4.247 9.071 -15.100 1.00 31.13 C ATOM 533 C ASP A 36 -5.360 8.537 -16.004 1.00 43.01 C ATOM 534 O ASP A 36 -5.372 8.807 -17.204 1.00 73.21 O ATOM 535 CB ASP A 36 -2.924 8.464 -15.569 1.00 62.45 C ATOM 536 CG ASP A 36 -1.696 9.354 -15.367 1.00 61.25 C ATOM 537 OD1 ASP A 36 -0.830 9.458 -16.249 1.00 75.14 O ATOM 538 OD2 ASP A 36 -1.647 9.965 -14.233 1.00 4.24 O ATOM 0 H ASP A 36 -4.257 7.756 -13.467 1.00 43.24 H new ATOM 0 HA ASP A 36 -4.184 10.158 -15.155 1.00 31.13 H new ATOM 0 HB2 ASP A 36 -2.764 7.525 -15.039 1.00 62.45 H new ATOM 0 HB3 ASP A 36 -3.008 8.222 -16.628 1.00 62.45 H new ATOM 544 N ILE A 37 -6.267 7.789 -15.394 1.00 10.15 N ATOM 545 CA ILE A 37 -7.381 7.215 -16.129 1.00 32.14 C ATOM 546 C ILE A 37 -8.108 8.324 -16.892 1.00 34.40 C ATOM 547 O ILE A 37 -8.382 8.185 -18.083 1.00 52.51 O ATOM 548 CB ILE A 37 -8.289 6.418 -15.189 1.00 64.35 C ATOM 549 CG1 ILE A 37 -7.863 4.949 -15.132 1.00 11.24 C ATOM 550 CG2 ILE A 37 -9.759 6.573 -15.584 1.00 44.44 C ATOM 551 CD1 ILE A 37 -8.952 4.088 -14.489 1.00 22.34 C ATOM 0 H ILE A 37 -6.253 7.567 -14.399 1.00 10.15 H new ATOM 0 HA ILE A 37 -7.022 6.501 -16.870 1.00 32.14 H new ATOM 0 HB ILE A 37 -8.181 6.825 -14.183 1.00 64.35 H new ATOM 0 HG12 ILE A 37 -7.655 4.587 -16.139 1.00 11.24 H new ATOM 0 HG13 ILE A 37 -6.938 4.857 -14.563 1.00 11.24 H new ATOM 0 HG21 ILE A 37 -10.382 5.997 -14.900 1.00 44.44 H new ATOM 0 HG22 ILE A 37 -10.041 7.625 -15.533 1.00 44.44 H new ATOM 0 HG23 ILE A 37 -9.903 6.208 -16.601 1.00 44.44 H new ATOM 0 HD11 ILE A 37 -8.625 3.049 -14.461 1.00 22.34 H new ATOM 0 HD12 ILE A 37 -9.140 4.437 -13.474 1.00 22.34 H new ATOM 0 HD13 ILE A 37 -9.869 4.164 -15.074 1.00 22.34 H new ATOM 563 N PRO A 38 -8.408 9.427 -16.156 1.00 13.13 N ATOM 564 CA PRO A 38 -9.098 10.559 -16.751 1.00 34.14 C ATOM 565 C PRO A 38 -8.156 11.368 -17.643 1.00 42.35 C ATOM 566 O PRO A 38 -8.590 12.281 -18.344 1.00 40.30 O ATOM 567 CB PRO A 38 -9.633 11.357 -15.573 1.00 5.33 C ATOM 568 CG PRO A 38 -8.832 10.902 -14.363 1.00 42.54 C ATOM 569 CD PRO A 38 -8.099 9.626 -14.743 1.00 35.34 C ATOM 0 HA PRO A 38 -9.910 10.257 -17.412 1.00 34.14 H new ATOM 0 HB2 PRO A 38 -9.514 12.428 -15.740 1.00 5.33 H new ATOM 0 HB3 PRO A 38 -10.698 11.173 -15.428 1.00 5.33 H new ATOM 0 HG2 PRO A 38 -8.124 11.674 -14.062 1.00 42.54 H new ATOM 0 HG3 PRO A 38 -9.491 10.725 -13.513 1.00 42.54 H new ATOM 0 HD2 PRO A 38 -7.025 9.724 -14.583 1.00 35.34 H new ATOM 0 HD3 PRO A 38 -8.436 8.782 -14.141 1.00 35.34 H new ATOM 577 N ARG A 39 -6.883 11.004 -17.589 1.00 50.23 N ATOM 578 CA ARG A 39 -5.875 11.685 -18.385 1.00 13.05 C ATOM 579 C ARG A 39 -5.595 10.903 -19.669 1.00 73.23 C ATOM 580 O ARG A 39 -5.076 11.457 -20.637 1.00 24.22 O ATOM 581 CB ARG A 39 -4.572 11.847 -17.600 1.00 42.31 C ATOM 582 CG ARG A 39 -4.804 12.632 -16.307 1.00 41.45 C ATOM 583 CD ARG A 39 -3.503 12.781 -15.515 1.00 74.03 C ATOM 584 NE ARG A 39 -2.550 13.631 -16.263 1.00 21.04 N ATOM 585 CZ ARG A 39 -1.686 13.165 -17.189 1.00 60.24 C ATOM 586 NH1 ARG A 39 -1.649 11.849 -17.491 1.00 44.40 N ATOM 587 NH2 ARG A 39 -0.878 14.014 -17.796 1.00 52.41 N ATOM 0 H ARG A 39 -6.526 10.246 -17.007 1.00 50.23 H new ATOM 0 HA ARG A 39 -6.261 12.673 -18.635 1.00 13.05 H new ATOM 0 HB2 ARG A 39 -4.161 10.865 -17.365 1.00 42.31 H new ATOM 0 HB3 ARG A 39 -3.834 12.363 -18.215 1.00 42.31 H new ATOM 0 HG2 ARG A 39 -5.205 13.618 -16.543 1.00 41.45 H new ATOM 0 HG3 ARG A 39 -5.549 12.122 -15.696 1.00 41.45 H new ATOM 0 HD2 ARG A 39 -3.710 13.223 -14.540 1.00 74.03 H new ATOM 0 HD3 ARG A 39 -3.063 11.800 -15.334 1.00 74.03 H new ATOM 0 HE ARG A 39 -2.546 14.632 -16.066 1.00 21.04 H new ATOM 0 HH11 ARG A 39 -2.277 11.199 -17.018 1.00 44.40 H new ATOM 0 HH12 ARG A 39 -0.993 11.505 -18.192 1.00 44.40 H new ATOM 0 HH21 ARG A 39 -0.912 15.006 -17.563 1.00 52.41 H new ATOM 0 HH22 ARG A 39 -0.219 13.678 -18.498 1.00 52.41 H new ATOM 600 N LEU A 40 -5.952 9.627 -19.637 1.00 53.34 N ATOM 601 CA LEU A 40 -5.746 8.763 -20.787 1.00 40.44 C ATOM 602 C LEU A 40 -6.908 8.940 -21.767 1.00 64.14 C ATOM 603 O LEU A 40 -6.760 8.688 -22.962 1.00 73.42 O ATOM 604 CB LEU A 40 -5.534 7.316 -20.339 1.00 51.01 C ATOM 605 CG LEU A 40 -4.281 7.050 -19.502 1.00 73.31 C ATOM 606 CD1 LEU A 40 -4.414 5.743 -18.717 1.00 41.21 C ATOM 607 CD2 LEU A 40 -3.025 7.069 -20.375 1.00 4.14 C ATOM 0 H LEU A 40 -6.383 9.171 -18.833 1.00 53.34 H new ATOM 0 HA LEU A 40 -4.836 9.044 -21.317 1.00 40.44 H new ATOM 0 HB2 LEU A 40 -6.405 7.004 -19.763 1.00 51.01 H new ATOM 0 HB3 LEU A 40 -5.495 6.684 -21.226 1.00 51.01 H new ATOM 0 HG LEU A 40 -4.179 7.854 -18.774 1.00 73.31 H new ATOM 0 HD11 LEU A 40 -3.510 5.577 -18.130 1.00 41.21 H new ATOM 0 HD12 LEU A 40 -5.273 5.805 -18.050 1.00 41.21 H new ATOM 0 HD13 LEU A 40 -4.553 4.914 -19.411 1.00 41.21 H new ATOM 0 HD21 LEU A 40 -2.149 6.877 -19.756 1.00 4.14 H new ATOM 0 HD22 LEU A 40 -3.103 6.298 -21.142 1.00 4.14 H new ATOM 0 HD23 LEU A 40 -2.927 8.045 -20.850 1.00 4.14 H new ATOM 619 N ILE A 41 -8.037 9.372 -21.225 1.00 63.13 N ATOM 620 CA ILE A 41 -9.223 9.585 -22.037 1.00 10.11 C ATOM 621 C ILE A 41 -8.894 10.564 -23.165 1.00 53.45 C ATOM 622 O ILE A 41 -8.239 11.581 -22.939 1.00 71.42 O ATOM 623 CB ILE A 41 -10.398 10.027 -21.162 1.00 73.44 C ATOM 624 CG1 ILE A 41 -10.586 9.079 -19.976 1.00 64.51 C ATOM 625 CG2 ILE A 41 -11.676 10.167 -21.992 1.00 34.34 C ATOM 626 CD1 ILE A 41 -12.024 9.128 -19.456 1.00 43.23 C ATOM 0 H ILE A 41 -8.156 9.580 -20.234 1.00 63.13 H new ATOM 0 HA ILE A 41 -9.537 8.652 -22.506 1.00 10.11 H new ATOM 0 HB ILE A 41 -10.169 11.011 -20.754 1.00 73.44 H new ATOM 0 HG12 ILE A 41 -10.339 8.061 -20.277 1.00 64.51 H new ATOM 0 HG13 ILE A 41 -9.897 9.351 -19.176 1.00 64.51 H new ATOM 0 HG21 ILE A 41 -12.496 10.482 -21.347 1.00 34.34 H new ATOM 0 HG22 ILE A 41 -11.523 10.911 -22.774 1.00 34.34 H new ATOM 0 HG23 ILE A 41 -11.921 9.208 -22.448 1.00 34.34 H new ATOM 0 HD11 ILE A 41 -12.130 8.445 -18.613 1.00 43.23 H new ATOM 0 HD12 ILE A 41 -12.260 10.142 -19.133 1.00 43.23 H new ATOM 0 HD13 ILE A 41 -12.709 8.832 -20.251 1.00 43.23 H new ATOM 638 N SER A 42 -9.364 10.224 -24.357 1.00 13.34 N ATOM 639 CA SER A 42 -9.129 11.061 -25.521 1.00 65.20 C ATOM 640 C SER A 42 -7.764 10.735 -26.132 1.00 10.02 C ATOM 641 O SER A 42 -7.451 11.181 -27.235 1.00 32.43 O ATOM 642 CB SER A 42 -9.207 12.545 -25.158 1.00 23.02 C ATOM 643 OG SER A 42 -9.659 13.339 -26.251 1.00 51.12 O ATOM 0 H SER A 42 -9.906 9.380 -24.541 1.00 13.34 H new ATOM 0 HA SER A 42 -9.908 10.853 -26.254 1.00 65.20 H new ATOM 0 HB2 SER A 42 -9.881 12.676 -24.312 1.00 23.02 H new ATOM 0 HB3 SER A 42 -8.224 12.892 -24.840 1.00 23.02 H new ATOM 0 HG SER A 42 -9.697 14.280 -25.979 1.00 51.12 H new ATOM 649 N MET A 43 -6.988 9.960 -25.388 1.00 13.21 N ATOM 650 CA MET A 43 -5.665 9.569 -25.842 1.00 44.53 C ATOM 651 C MET A 43 -5.680 8.155 -26.425 1.00 32.32 C ATOM 652 O MET A 43 -6.201 7.230 -25.804 1.00 30.44 O ATOM 653 CB MET A 43 -4.684 9.628 -24.669 1.00 51.03 C ATOM 654 CG MET A 43 -4.934 10.867 -23.807 1.00 40.22 C ATOM 655 SD MET A 43 -3.389 11.477 -23.153 1.00 14.21 S ATOM 656 CE MET A 43 -2.544 9.932 -22.863 1.00 2.11 C ATOM 0 H MET A 43 -7.251 9.592 -24.474 1.00 13.21 H new ATOM 0 HA MET A 43 -5.352 10.260 -26.624 1.00 44.53 H new ATOM 0 HB2 MET A 43 -4.786 8.730 -24.060 1.00 51.03 H new ATOM 0 HB3 MET A 43 -3.661 9.643 -25.046 1.00 51.03 H new ATOM 0 HG2 MET A 43 -5.418 11.642 -24.401 1.00 40.22 H new ATOM 0 HG3 MET A 43 -5.612 10.621 -22.990 1.00 40.22 H new ATOM 0 HE1 MET A 43 -1.898 10.029 -21.990 1.00 2.11 H new ATOM 0 HE2 MET A 43 -3.276 9.144 -22.687 1.00 2.11 H new ATOM 0 HE3 MET A 43 -1.941 9.678 -23.735 1.00 2.11 H new ATOM 666 N GLN A 44 -5.103 8.031 -27.611 1.00 12.20 N ATOM 667 CA GLN A 44 -5.044 6.745 -28.284 1.00 72.12 C ATOM 668 C GLN A 44 -3.842 5.940 -27.786 1.00 73.41 C ATOM 669 O GLN A 44 -2.847 6.512 -27.346 1.00 4.12 O ATOM 670 CB GLN A 44 -4.994 6.923 -29.803 1.00 24.31 C ATOM 671 CG GLN A 44 -6.397 7.124 -30.378 1.00 42.35 C ATOM 672 CD GLN A 44 -6.341 7.883 -31.706 1.00 11.32 C ATOM 673 OE1 GLN A 44 -5.934 9.031 -31.778 1.00 3.14 O ATOM 674 NE2 GLN A 44 -6.772 7.180 -32.749 1.00 52.54 N ATOM 0 H GLN A 44 -4.672 8.801 -28.123 1.00 12.20 H new ATOM 0 HA GLN A 44 -5.952 6.190 -28.046 1.00 72.12 H new ATOM 0 HB2 GLN A 44 -4.369 7.781 -30.052 1.00 24.31 H new ATOM 0 HB3 GLN A 44 -4.532 6.048 -30.260 1.00 24.31 H new ATOM 0 HG2 GLN A 44 -6.875 6.156 -30.528 1.00 42.35 H new ATOM 0 HG3 GLN A 44 -7.011 7.675 -29.665 1.00 42.35 H new ATOM 0 HE21 GLN A 44 -7.100 6.223 -32.619 1.00 52.54 H new ATOM 0 HE22 GLN A 44 -6.775 7.598 -33.679 1.00 52.54 H new ATOM 683 N VAL A 45 -3.975 4.624 -27.872 1.00 40.24 N ATOM 684 CA VAL A 45 -2.912 3.735 -27.436 1.00 32.41 C ATOM 685 C VAL A 45 -2.030 3.376 -28.633 1.00 64.31 C ATOM 686 O VAL A 45 -2.521 3.237 -29.752 1.00 34.01 O ATOM 687 CB VAL A 45 -3.508 2.507 -26.743 1.00 54.45 C ATOM 688 CG1 VAL A 45 -4.131 2.886 -25.398 1.00 74.43 C ATOM 689 CG2 VAL A 45 -4.530 1.812 -27.645 1.00 33.31 C ATOM 0 H VAL A 45 -4.803 4.153 -28.237 1.00 40.24 H new ATOM 0 HA VAL A 45 -2.277 4.230 -26.701 1.00 32.41 H new ATOM 0 HB VAL A 45 -2.698 1.803 -26.550 1.00 54.45 H new ATOM 0 HG11 VAL A 45 -4.547 1.996 -24.926 1.00 74.43 H new ATOM 0 HG12 VAL A 45 -3.366 3.316 -24.751 1.00 74.43 H new ATOM 0 HG13 VAL A 45 -4.924 3.617 -25.557 1.00 74.43 H new ATOM 0 HG21 VAL A 45 -4.939 0.943 -27.130 1.00 33.31 H new ATOM 0 HG22 VAL A 45 -5.337 2.505 -27.882 1.00 33.31 H new ATOM 0 HG23 VAL A 45 -4.044 1.492 -28.566 1.00 33.31 H new ATOM 699 N ASN A 46 -0.741 3.236 -28.357 1.00 34.41 N ATOM 700 CA ASN A 46 0.214 2.896 -29.397 1.00 63.52 C ATOM 701 C ASN A 46 0.390 1.376 -29.445 1.00 41.44 C ATOM 702 O ASN A 46 1.452 0.882 -29.822 1.00 53.41 O ATOM 703 CB ASN A 46 1.582 3.521 -29.115 1.00 33.13 C ATOM 704 CG ASN A 46 2.181 2.967 -27.820 1.00 41.15 C ATOM 705 OD1 ASN A 46 2.185 1.773 -27.569 1.00 12.33 O ATOM 706 ND2 ASN A 46 2.686 3.898 -27.016 1.00 40.34 N ATOM 0 H ASN A 46 -0.336 3.352 -27.428 1.00 34.41 H new ATOM 0 HA ASN A 46 -0.169 3.278 -30.344 1.00 63.52 H new ATOM 0 HB2 ASN A 46 2.256 3.320 -29.947 1.00 33.13 H new ATOM 0 HB3 ASN A 46 1.483 4.604 -29.040 1.00 33.13 H new ATOM 0 HD21 ASN A 46 3.110 3.630 -26.128 1.00 40.34 H new ATOM 0 HD22 ASN A 46 2.650 4.881 -27.287 1.00 40.34 H new ATOM 713 N GLN A 47 -0.667 0.678 -29.058 1.00 72.15 N ATOM 714 CA GLN A 47 -0.643 -0.775 -29.053 1.00 11.02 C ATOM 715 C GLN A 47 -1.996 -1.327 -28.599 1.00 52.51 C ATOM 716 O GLN A 47 -2.685 -0.705 -27.791 1.00 44.23 O ATOM 717 CB GLN A 47 0.488 -1.301 -28.167 1.00 62.13 C ATOM 718 CG GLN A 47 0.260 -2.769 -27.800 1.00 14.42 C ATOM 719 CD GLN A 47 1.501 -3.367 -27.135 1.00 61.35 C ATOM 720 OE1 GLN A 47 1.938 -4.462 -27.450 1.00 63.01 O ATOM 721 NE2 GLN A 47 2.043 -2.590 -26.202 1.00 33.43 N ATOM 0 H GLN A 47 -1.546 1.091 -28.746 1.00 72.15 H new ATOM 0 HA GLN A 47 -0.455 -1.119 -30.070 1.00 11.02 H new ATOM 0 HB2 GLN A 47 1.440 -1.196 -28.687 1.00 62.13 H new ATOM 0 HB3 GLN A 47 0.552 -0.701 -27.259 1.00 62.13 H new ATOM 0 HG2 GLN A 47 -0.593 -2.851 -27.126 1.00 14.42 H new ATOM 0 HG3 GLN A 47 0.014 -3.338 -28.697 1.00 14.42 H new ATOM 0 HE21 GLN A 47 1.626 -1.684 -25.987 1.00 33.43 H new ATOM 0 HE22 GLN A 47 2.876 -2.900 -25.701 1.00 33.43 H new ATOM 730 N VAL A 48 -2.337 -2.488 -29.139 1.00 1.35 N ATOM 731 CA VAL A 48 -3.595 -3.130 -28.799 1.00 54.13 C ATOM 732 C VAL A 48 -3.462 -3.817 -27.439 1.00 23.21 C ATOM 733 O VAL A 48 -2.973 -4.943 -27.353 1.00 41.33 O ATOM 734 CB VAL A 48 -4.011 -4.090 -29.916 1.00 24.11 C ATOM 735 CG1 VAL A 48 -2.845 -4.994 -30.323 1.00 74.01 C ATOM 736 CG2 VAL A 48 -5.229 -4.918 -29.502 1.00 24.31 C ATOM 0 H VAL A 48 -1.764 -3.000 -29.809 1.00 1.35 H new ATOM 0 HA VAL A 48 -4.390 -2.389 -28.712 1.00 54.13 H new ATOM 0 HB VAL A 48 -4.292 -3.494 -30.784 1.00 24.11 H new ATOM 0 HG11 VAL A 48 -3.167 -5.667 -31.118 1.00 74.01 H new ATOM 0 HG12 VAL A 48 -2.017 -4.381 -30.679 1.00 74.01 H new ATOM 0 HG13 VAL A 48 -2.520 -5.579 -29.462 1.00 74.01 H new ATOM 0 HG21 VAL A 48 -5.504 -5.592 -30.314 1.00 24.31 H new ATOM 0 HG22 VAL A 48 -4.988 -5.500 -28.613 1.00 24.31 H new ATOM 0 HG23 VAL A 48 -6.064 -4.253 -29.284 1.00 24.31 H new ATOM 746 N VAL A 49 -3.905 -3.111 -26.409 1.00 22.30 N ATOM 747 CA VAL A 49 -3.841 -3.639 -25.057 1.00 21.22 C ATOM 748 C VAL A 49 -5.054 -4.537 -24.807 1.00 31.34 C ATOM 749 O VAL A 49 -6.195 -4.090 -24.915 1.00 22.20 O ATOM 750 CB VAL A 49 -3.729 -2.491 -24.051 1.00 75.24 C ATOM 751 CG1 VAL A 49 -3.641 -3.023 -22.620 1.00 13.14 C ATOM 752 CG2 VAL A 49 -2.536 -1.591 -24.377 1.00 24.41 C ATOM 0 H VAL A 49 -4.310 -2.178 -26.484 1.00 22.30 H new ATOM 0 HA VAL A 49 -2.950 -4.253 -24.929 1.00 21.22 H new ATOM 0 HB VAL A 49 -4.634 -1.888 -24.128 1.00 75.24 H new ATOM 0 HG11 VAL A 49 -3.562 -2.187 -21.925 1.00 13.14 H new ATOM 0 HG12 VAL A 49 -4.536 -3.602 -22.391 1.00 13.14 H new ATOM 0 HG13 VAL A 49 -2.762 -3.660 -22.522 1.00 13.14 H new ATOM 0 HG21 VAL A 49 -2.479 -0.783 -23.647 1.00 24.41 H new ATOM 0 HG22 VAL A 49 -1.618 -2.177 -24.342 1.00 24.41 H new ATOM 0 HG23 VAL A 49 -2.660 -1.170 -25.375 1.00 24.41 H new ATOM 762 N PRO A 50 -4.759 -5.821 -24.468 1.00 2.11 N ATOM 763 CA PRO A 50 -5.812 -6.786 -24.201 1.00 50.25 C ATOM 764 C PRO A 50 -6.452 -6.536 -22.834 1.00 41.44 C ATOM 765 O PRO A 50 -5.760 -6.208 -21.872 1.00 2.13 O ATOM 766 CB PRO A 50 -5.136 -8.144 -24.302 1.00 12.54 C ATOM 767 CG PRO A 50 -3.646 -7.879 -24.160 1.00 11.04 C ATOM 768 CD PRO A 50 -3.420 -6.386 -24.330 1.00 44.31 C ATOM 0 HA PRO A 50 -6.638 -6.714 -24.909 1.00 50.25 H new ATOM 0 HB2 PRO A 50 -5.490 -8.816 -23.520 1.00 12.54 H new ATOM 0 HB3 PRO A 50 -5.359 -8.621 -25.256 1.00 12.54 H new ATOM 0 HG2 PRO A 50 -3.291 -8.210 -23.184 1.00 11.04 H new ATOM 0 HG3 PRO A 50 -3.086 -8.438 -24.910 1.00 11.04 H new ATOM 0 HD2 PRO A 50 -2.899 -5.964 -23.471 1.00 44.31 H new ATOM 0 HD3 PRO A 50 -2.809 -6.176 -25.208 1.00 44.31 H new ATOM 776 N MET A 51 -7.766 -6.700 -22.793 1.00 1.13 N ATOM 777 CA MET A 51 -8.507 -6.496 -21.559 1.00 61.25 C ATOM 778 C MET A 51 -7.828 -7.208 -20.388 1.00 21.42 C ATOM 779 O MET A 51 -7.661 -8.427 -20.410 1.00 1.10 O ATOM 780 CB MET A 51 -9.931 -7.030 -21.725 1.00 51.24 C ATOM 781 CG MET A 51 -10.772 -6.743 -20.480 1.00 35.41 C ATOM 782 SD MET A 51 -12.424 -7.385 -20.698 1.00 2.10 S ATOM 783 CE MET A 51 -12.047 -9.086 -21.084 1.00 61.42 C ATOM 0 H MET A 51 -8.337 -6.972 -23.594 1.00 1.13 H new ATOM 0 HA MET A 51 -8.533 -5.428 -21.345 1.00 61.25 H new ATOM 0 HB2 MET A 51 -10.396 -6.570 -22.597 1.00 51.24 H new ATOM 0 HB3 MET A 51 -9.901 -8.104 -21.909 1.00 51.24 H new ATOM 0 HG2 MET A 51 -10.308 -7.199 -19.605 1.00 35.41 H new ATOM 0 HG3 MET A 51 -10.811 -5.669 -20.297 1.00 35.41 H new ATOM 0 HE1 MET A 51 -12.897 -9.716 -20.820 1.00 61.42 H new ATOM 0 HE2 MET A 51 -11.842 -9.180 -22.150 1.00 61.42 H new ATOM 0 HE3 MET A 51 -11.171 -9.402 -20.517 1.00 61.42 H new ATOM 793 N GLY A 52 -7.455 -6.418 -19.392 1.00 42.23 N ATOM 794 CA GLY A 52 -6.798 -6.957 -18.214 1.00 22.51 C ATOM 795 C GLY A 52 -5.308 -6.611 -18.210 1.00 4.42 C ATOM 796 O GLY A 52 -4.620 -6.824 -17.213 1.00 25.51 O ATOM 0 H GLY A 52 -7.596 -5.408 -19.377 1.00 42.23 H new ATOM 0 HA2 GLY A 52 -7.270 -6.558 -17.316 1.00 22.51 H new ATOM 0 HA3 GLY A 52 -6.924 -8.039 -18.187 1.00 22.51 H new ATOM 800 N THR A 53 -4.853 -6.081 -19.336 1.00 22.01 N ATOM 801 CA THR A 53 -3.457 -5.702 -19.475 1.00 22.53 C ATOM 802 C THR A 53 -3.216 -4.320 -18.865 1.00 51.14 C ATOM 803 O THR A 53 -3.837 -3.340 -19.275 1.00 61.32 O ATOM 804 CB THR A 53 -3.090 -5.785 -20.958 1.00 23.23 C ATOM 805 OG1 THR A 53 -3.117 -7.181 -21.245 1.00 4.34 O ATOM 806 CG2 THR A 53 -1.640 -5.378 -21.226 1.00 5.45 C ATOM 0 H THR A 53 -5.427 -5.905 -20.161 1.00 22.01 H new ATOM 0 HA THR A 53 -2.806 -6.382 -18.926 1.00 22.53 H new ATOM 0 HB THR A 53 -3.759 -5.145 -21.533 1.00 23.23 H new ATOM 0 HG1 THR A 53 -4.016 -7.437 -21.539 1.00 4.34 H new ATOM 0 HG21 THR A 53 -1.432 -5.455 -22.293 1.00 5.45 H new ATOM 0 HG22 THR A 53 -1.484 -4.350 -20.899 1.00 5.45 H new ATOM 0 HG23 THR A 53 -0.969 -6.039 -20.677 1.00 5.45 H new ATOM 814 N THR A 54 -2.313 -4.285 -17.896 1.00 54.33 N ATOM 815 CA THR A 54 -1.983 -3.038 -17.226 1.00 61.43 C ATOM 816 C THR A 54 -1.649 -1.954 -18.252 1.00 51.32 C ATOM 817 O THR A 54 -0.986 -2.223 -19.252 1.00 63.14 O ATOM 818 CB THR A 54 -0.843 -3.317 -16.244 1.00 73.32 C ATOM 819 OG1 THR A 54 -1.171 -4.586 -15.684 1.00 2.24 O ATOM 820 CG2 THR A 54 -0.857 -2.366 -15.046 1.00 43.21 C ATOM 0 H THR A 54 -1.800 -5.099 -17.559 1.00 54.33 H new ATOM 0 HA THR A 54 -2.833 -2.655 -16.660 1.00 61.43 H new ATOM 0 HB THR A 54 0.112 -3.233 -16.763 1.00 73.32 H new ATOM 0 HG1 THR A 54 -0.483 -4.846 -15.037 1.00 2.24 H new ATOM 0 HG21 THR A 54 -0.028 -2.607 -14.380 1.00 43.21 H new ATOM 0 HG22 THR A 54 -0.755 -1.339 -15.396 1.00 43.21 H new ATOM 0 HG23 THR A 54 -1.798 -2.474 -14.507 1.00 43.21 H new ATOM 828 N LEU A 55 -2.124 -0.750 -17.969 1.00 12.22 N ATOM 829 CA LEU A 55 -1.885 0.377 -18.854 1.00 65.15 C ATOM 830 C LEU A 55 -0.509 0.974 -18.552 1.00 1.32 C ATOM 831 O LEU A 55 -0.217 1.322 -17.409 1.00 12.53 O ATOM 832 CB LEU A 55 -3.029 1.388 -18.757 1.00 61.21 C ATOM 833 CG LEU A 55 -3.460 2.041 -20.072 1.00 13.23 C ATOM 834 CD1 LEU A 55 -2.333 1.991 -21.105 1.00 20.03 C ATOM 835 CD2 LEU A 55 -4.750 1.410 -20.600 1.00 13.51 C ATOM 0 H LEU A 55 -2.674 -0.530 -17.138 1.00 12.22 H new ATOM 0 HA LEU A 55 -1.869 0.048 -19.893 1.00 65.15 H new ATOM 0 HB2 LEU A 55 -3.894 0.887 -18.322 1.00 61.21 H new ATOM 0 HB3 LEU A 55 -2.734 2.175 -18.063 1.00 61.21 H new ATOM 0 HG LEU A 55 -3.671 3.093 -19.878 1.00 13.23 H new ATOM 0 HD11 LEU A 55 -2.666 2.462 -22.030 1.00 20.03 H new ATOM 0 HD12 LEU A 55 -1.463 2.523 -20.720 1.00 20.03 H new ATOM 0 HD13 LEU A 55 -2.066 0.953 -21.302 1.00 20.03 H new ATOM 0 HD21 LEU A 55 -5.035 1.892 -21.535 1.00 13.51 H new ATOM 0 HD22 LEU A 55 -4.590 0.346 -20.774 1.00 13.51 H new ATOM 0 HD23 LEU A 55 -5.546 1.542 -19.867 1.00 13.51 H new ATOM 847 N MET A 56 0.300 1.075 -19.596 1.00 61.43 N ATOM 848 CA MET A 56 1.638 1.624 -19.457 1.00 21.24 C ATOM 849 C MET A 56 1.714 3.037 -20.038 1.00 62.15 C ATOM 850 O MET A 56 0.908 3.405 -20.891 1.00 12.41 O ATOM 851 CB MET A 56 2.639 0.720 -20.179 1.00 21.34 C ATOM 852 CG MET A 56 2.866 -0.578 -19.401 1.00 32.24 C ATOM 853 SD MET A 56 4.186 -0.359 -18.219 1.00 35.11 S ATOM 854 CE MET A 56 3.248 -0.377 -16.700 1.00 71.51 C ATOM 0 H MET A 56 0.054 0.786 -20.543 1.00 61.43 H new ATOM 0 HA MET A 56 1.881 1.674 -18.396 1.00 21.24 H new ATOM 0 HB2 MET A 56 2.271 0.489 -21.179 1.00 21.34 H new ATOM 0 HB3 MET A 56 3.586 1.245 -20.301 1.00 21.34 H new ATOM 0 HG2 MET A 56 1.950 -0.868 -18.886 1.00 32.24 H new ATOM 0 HG3 MET A 56 3.114 -1.386 -20.090 1.00 32.24 H new ATOM 0 HE1 MET A 56 3.928 -0.304 -15.851 1.00 71.51 H new ATOM 0 HE2 MET A 56 2.560 0.468 -16.687 1.00 71.51 H new ATOM 0 HE3 MET A 56 2.682 -1.306 -16.633 1.00 71.51 H new ATOM 864 N PRO A 57 2.717 3.810 -19.542 1.00 31.34 N ATOM 865 CA PRO A 57 2.909 5.174 -20.003 1.00 10.11 C ATOM 866 C PRO A 57 3.535 5.198 -21.399 1.00 3.04 C ATOM 867 O PRO A 57 3.328 6.142 -22.160 1.00 31.31 O ATOM 868 CB PRO A 57 3.786 5.827 -18.947 1.00 21.41 C ATOM 869 CG PRO A 57 4.433 4.685 -18.179 1.00 44.44 C ATOM 870 CD PRO A 57 3.691 3.407 -18.531 1.00 72.33 C ATOM 0 HA PRO A 57 1.970 5.717 -20.113 1.00 10.11 H new ATOM 0 HB2 PRO A 57 4.540 6.466 -19.406 1.00 21.41 H new ATOM 0 HB3 PRO A 57 3.195 6.458 -18.284 1.00 21.41 H new ATOM 0 HG2 PRO A 57 5.488 4.598 -18.441 1.00 44.44 H new ATOM 0 HG3 PRO A 57 4.385 4.871 -17.106 1.00 44.44 H new ATOM 0 HD2 PRO A 57 4.371 2.648 -18.917 1.00 72.33 H new ATOM 0 HD3 PRO A 57 3.200 2.980 -17.656 1.00 72.33 H new ATOM 878 N ASP A 58 4.289 4.149 -21.692 1.00 70.32 N ATOM 879 CA ASP A 58 4.947 4.037 -22.983 1.00 52.30 C ATOM 880 C ASP A 58 4.055 3.241 -23.938 1.00 23.22 C ATOM 881 O ASP A 58 4.521 2.754 -24.967 1.00 20.11 O ATOM 882 CB ASP A 58 6.282 3.302 -22.859 1.00 25.42 C ATOM 883 CG ASP A 58 7.043 3.116 -24.173 1.00 61.03 C ATOM 884 OD1 ASP A 58 7.956 2.282 -24.271 1.00 14.11 O ATOM 885 OD2 ASP A 58 6.660 3.882 -25.138 1.00 34.20 O ATOM 0 H ASP A 58 4.459 3.369 -21.058 1.00 70.32 H new ATOM 0 HA ASP A 58 5.124 5.044 -23.360 1.00 52.30 H new ATOM 0 HB2 ASP A 58 6.918 3.850 -22.163 1.00 25.42 H new ATOM 0 HB3 ASP A 58 6.100 2.321 -22.420 1.00 25.42 H new ATOM 891 N MET A 59 2.789 3.133 -23.563 1.00 22.43 N ATOM 892 CA MET A 59 1.828 2.404 -24.373 1.00 23.52 C ATOM 893 C MET A 59 0.683 3.315 -24.819 1.00 4.31 C ATOM 894 O MET A 59 -0.333 2.840 -25.323 1.00 42.15 O ATOM 895 CB MET A 59 1.264 1.233 -23.566 1.00 31.24 C ATOM 896 CG MET A 59 2.138 -0.013 -23.722 1.00 61.12 C ATOM 897 SD MET A 59 1.151 -1.484 -23.499 1.00 41.53 S ATOM 898 CE MET A 59 0.200 -1.004 -22.067 1.00 31.11 C ATOM 0 H MET A 59 2.406 3.538 -22.709 1.00 22.43 H new ATOM 0 HA MET A 59 2.338 2.032 -25.262 1.00 23.52 H new ATOM 0 HB2 MET A 59 1.202 1.509 -22.513 1.00 31.24 H new ATOM 0 HB3 MET A 59 0.249 1.013 -23.898 1.00 31.24 H new ATOM 0 HG2 MET A 59 2.600 -0.022 -24.709 1.00 61.12 H new ATOM 0 HG3 MET A 59 2.947 0.006 -22.991 1.00 61.12 H new ATOM 0 HE1 MET A 59 -0.570 -1.751 -21.875 1.00 31.11 H new ATOM 0 HE2 MET A 59 0.858 -0.931 -21.201 1.00 31.11 H new ATOM 0 HE3 MET A 59 -0.269 -0.037 -22.249 1.00 31.11 H new ATOM 908 N VAL A 60 0.886 4.609 -24.617 1.00 24.24 N ATOM 909 CA VAL A 60 -0.116 5.591 -24.992 1.00 12.43 C ATOM 910 C VAL A 60 0.559 6.741 -25.742 1.00 54.32 C ATOM 911 O VAL A 60 1.627 7.205 -25.345 1.00 34.51 O ATOM 912 CB VAL A 60 -0.884 6.055 -23.752 1.00 44.40 C ATOM 913 CG1 VAL A 60 -1.980 7.054 -24.128 1.00 1.21 C ATOM 914 CG2 VAL A 60 -1.466 4.863 -22.989 1.00 45.45 C ATOM 0 H VAL A 60 1.730 5.000 -24.198 1.00 24.24 H new ATOM 0 HA VAL A 60 -0.850 5.149 -25.666 1.00 12.43 H new ATOM 0 HB VAL A 60 -0.180 6.563 -23.093 1.00 44.40 H new ATOM 0 HG11 VAL A 60 -2.510 7.368 -23.229 1.00 1.21 H new ATOM 0 HG12 VAL A 60 -1.531 7.924 -24.606 1.00 1.21 H new ATOM 0 HG13 VAL A 60 -2.681 6.583 -24.817 1.00 1.21 H new ATOM 0 HG21 VAL A 60 -2.007 5.221 -22.113 1.00 45.45 H new ATOM 0 HG22 VAL A 60 -2.149 4.314 -23.638 1.00 45.45 H new ATOM 0 HG23 VAL A 60 -0.658 4.204 -22.673 1.00 45.45 H new ATOM 924 N LYS A 61 -0.092 7.169 -26.814 1.00 35.20 N ATOM 925 CA LYS A 61 0.431 8.256 -27.624 1.00 23.33 C ATOM 926 C LYS A 61 -0.026 9.591 -27.034 1.00 2.42 C ATOM 927 O LYS A 61 -1.125 9.691 -26.491 1.00 72.32 O ATOM 928 CB LYS A 61 0.042 8.066 -29.091 1.00 41.22 C ATOM 929 CG LYS A 61 0.589 6.746 -29.637 1.00 65.05 C ATOM 930 CD LYS A 61 0.583 6.741 -31.167 1.00 43.15 C ATOM 931 CE LYS A 61 0.414 5.321 -31.710 1.00 65.35 C ATOM 932 NZ LYS A 61 0.608 5.300 -33.178 1.00 4.34 N ATOM 0 H LYS A 61 -0.978 6.782 -27.140 1.00 35.20 H new ATOM 0 HA LYS A 61 1.521 8.255 -27.605 1.00 23.33 H new ATOM 0 HB2 LYS A 61 -1.044 8.082 -29.188 1.00 41.22 H new ATOM 0 HB3 LYS A 61 0.427 8.896 -29.683 1.00 41.22 H new ATOM 0 HG2 LYS A 61 1.605 6.591 -29.273 1.00 65.05 H new ATOM 0 HG3 LYS A 61 -0.013 5.917 -29.265 1.00 65.05 H new ATOM 0 HD2 LYS A 61 -0.226 7.373 -31.533 1.00 43.15 H new ATOM 0 HD3 LYS A 61 1.514 7.168 -31.539 1.00 43.15 H new ATOM 0 HE2 LYS A 61 1.133 4.655 -31.233 1.00 65.35 H new ATOM 0 HE3 LYS A 61 -0.580 4.947 -31.463 1.00 65.35 H new ATOM 0 HZ1 LYS A 61 1.158 4.458 -33.443 1.00 4.34 H new ATOM 0 HZ2 LYS A 61 -0.318 5.271 -33.650 1.00 4.34 H new ATOM 0 HZ3 LYS A 61 1.120 6.156 -33.473 1.00 4.34 H new ATOM 945 N GLY A 62 0.841 10.585 -27.160 1.00 42.21 N ATOM 946 CA GLY A 62 0.540 11.911 -26.646 1.00 64.32 C ATOM 947 C GLY A 62 0.322 11.875 -25.132 1.00 55.23 C ATOM 948 O GLY A 62 -0.187 12.834 -24.552 1.00 63.54 O ATOM 0 H GLY A 62 1.752 10.499 -27.611 1.00 42.21 H new ATOM 0 HA2 GLY A 62 1.358 12.591 -26.883 1.00 64.32 H new ATOM 0 HA3 GLY A 62 -0.352 12.301 -27.136 1.00 64.32 H new ATOM 952 N TYR A 63 0.716 10.760 -24.535 1.00 40.15 N ATOM 953 CA TYR A 63 0.569 10.587 -23.100 1.00 44.12 C ATOM 954 C TYR A 63 1.705 11.281 -22.345 1.00 41.04 C ATOM 955 O TYR A 63 2.650 11.777 -22.957 1.00 71.33 O ATOM 956 CB TYR A 63 0.650 9.081 -22.847 1.00 23.54 C ATOM 957 CG TYR A 63 0.906 8.708 -21.385 1.00 4.51 C ATOM 958 CD1 TYR A 63 2.199 8.644 -20.906 1.00 21.44 C ATOM 959 CD2 TYR A 63 -0.155 8.438 -20.546 1.00 30.35 C ATOM 960 CE1 TYR A 63 2.440 8.293 -19.530 1.00 3.42 C ATOM 961 CE2 TYR A 63 0.086 8.088 -19.170 1.00 21.53 C ATOM 962 CZ TYR A 63 1.372 8.033 -18.730 1.00 32.32 C ATOM 963 OH TYR A 63 1.600 7.702 -17.430 1.00 74.04 O ATOM 0 H TYR A 63 1.137 9.967 -25.019 1.00 40.15 H new ATOM 0 HA TYR A 63 -0.370 11.019 -22.755 1.00 44.12 H new ATOM 0 HB2 TYR A 63 -0.282 8.618 -23.172 1.00 23.54 H new ATOM 0 HB3 TYR A 63 1.446 8.662 -23.463 1.00 23.54 H new ATOM 0 HD1 TYR A 63 3.030 8.857 -21.563 1.00 21.44 H new ATOM 0 HD2 TYR A 63 -1.167 8.489 -20.921 1.00 30.35 H new ATOM 0 HE1 TYR A 63 3.447 8.238 -19.142 1.00 3.42 H new ATOM 0 HE2 TYR A 63 -0.736 7.874 -18.503 1.00 21.53 H new ATOM 0 HH TYR A 63 0.962 8.174 -16.855 1.00 74.04 H new ATOM 973 N ALA A 64 1.575 11.294 -21.027 1.00 1.10 N ATOM 974 CA ALA A 64 2.579 11.919 -20.182 1.00 72.02 C ATOM 975 C ALA A 64 2.069 11.965 -18.740 1.00 53.05 C ATOM 976 O ALA A 64 0.863 12.040 -18.507 1.00 5.43 O ATOM 977 CB ALA A 64 2.912 13.309 -20.728 1.00 14.14 C ATOM 0 H ALA A 64 0.790 10.882 -20.523 1.00 1.10 H new ATOM 0 HA ALA A 64 3.501 11.338 -20.187 1.00 72.02 H new ATOM 0 HB1 ALA A 64 3.665 13.778 -20.095 1.00 14.14 H new ATOM 0 HB2 ALA A 64 3.298 13.218 -21.743 1.00 14.14 H new ATOM 0 HB3 ALA A 64 2.011 13.922 -20.736 1.00 14.14 H new ATOM 983 N PRO A 65 3.037 11.917 -17.786 1.00 73.55 N ATOM 984 CA PRO A 65 2.698 11.952 -16.374 1.00 70.10 C ATOM 985 C PRO A 65 2.295 13.363 -15.942 1.00 55.21 C ATOM 986 O PRO A 65 2.559 14.333 -16.651 1.00 64.21 O ATOM 987 CB PRO A 65 3.939 11.444 -15.659 1.00 22.21 C ATOM 988 CG PRO A 65 5.080 11.583 -16.654 1.00 11.32 C ATOM 989 CD PRO A 65 4.474 11.827 -18.026 1.00 41.03 C ATOM 0 HA PRO A 65 1.834 11.332 -16.133 1.00 70.10 H new ATOM 0 HB2 PRO A 65 4.135 12.024 -14.757 1.00 22.21 H new ATOM 0 HB3 PRO A 65 3.814 10.406 -15.350 1.00 22.21 H new ATOM 0 HG2 PRO A 65 5.733 12.409 -16.373 1.00 11.32 H new ATOM 0 HG3 PRO A 65 5.692 10.681 -16.662 1.00 11.32 H new ATOM 0 HD2 PRO A 65 4.859 12.744 -18.472 1.00 41.03 H new ATOM 0 HD3 PRO A 65 4.711 11.015 -18.713 1.00 41.03 H new ATOM 997 N ALA A 66 1.660 13.434 -14.781 1.00 24.51 N ATOM 998 CA ALA A 66 1.218 14.710 -14.246 1.00 10.01 C ATOM 999 C ALA A 66 1.459 14.736 -12.735 1.00 73.12 C ATOM 1000 O ALA A 66 1.980 13.776 -12.169 1.00 72.05 O ATOM 1001 CB ALA A 66 -0.252 14.933 -14.606 1.00 33.41 C ATOM 0 H ALA A 66 1.441 12.628 -14.196 1.00 24.51 H new ATOM 0 HA ALA A 66 1.789 15.528 -14.685 1.00 10.01 H new ATOM 0 HB1 ALA A 66 -0.584 15.891 -14.205 1.00 33.41 H new ATOM 0 HB2 ALA A 66 -0.365 14.935 -15.690 1.00 33.41 H new ATOM 0 HB3 ALA A 66 -0.856 14.132 -14.180 1.00 33.41 H new TER 1007 ALA A 66