USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 886 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 12 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.55) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 168:sc= -0.421 (180deg=-0.606) USER MOD Single : A 18 SER OG : rot 48:sc= 1.15 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.69) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.00993) USER MOD Single : A 27 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.63) USER MOD Single : A 33 MET CE :methyl -161:sc= -0.719 (180deg=-1.15) USER MOD Single : A 34 MET CE :methyl 150:sc= -0.838 (180deg=-1.75) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.94 F(o=-2.6!,f=-1.9) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.012! F(o=-1.4,f=-0.012!) USER MOD Single : A 39 ASN : amide:sc=-0.00196 K(o=-0.002,f=-0.66) USER MOD Single : A 47 GLN : amide:sc= -0.407 K(o=-0.41,f=-0.95) USER MOD Single : A 51 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.055) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.52) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl 167:sc= -0.425 (180deg=-0.613) USER MOD Single : B 18 SER OG : rot 46:sc= 1.18 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.0198 K(o=-0.02,f=-0.72) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0137) USER MOD Single : B 27 HIS : no HE2:sc= 0.161 K(o=0.16,f=-0.61) USER MOD Single : B 33 MET CE :methyl -166:sc= -0.76 (180deg=-1.08) USER MOD Single : B 34 MET CE :methyl 152:sc= -1.05 (180deg=-1.99!) USER MOD Single : B 35 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 36 HIS :FLIP no HD1:sc= -1.99 F(o=-2.7!,f=-2) USER MOD Single : B 38 GLN :FLIP amide:sc= -0.258! F(o=-1.4,f=-0.26!) USER MOD Single : B 39 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 47 GLN : amide:sc= -0.335 K(o=-0.33,f=-0.95) USER MOD Single : B 51 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.054) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -20.302 24.410 -32.840 1.00 0.00 N ATOM 2 CA LEU A 8 -21.747 24.749 -32.689 1.00 0.00 C ATOM 3 C LEU A 8 -22.355 23.966 -31.523 1.00 0.00 C ATOM 4 O LEU A 8 -22.828 22.858 -31.687 1.00 0.00 O ATOM 5 CB LEU A 8 -22.392 24.331 -34.011 1.00 0.00 C ATOM 6 CG LEU A 8 -23.663 25.149 -34.240 1.00 0.00 C ATOM 7 CD1 LEU A 8 -24.096 25.022 -35.703 1.00 0.00 C ATOM 8 CD2 LEU A 8 -24.777 24.623 -33.333 1.00 0.00 C ATOM 0 HA LEU A 8 -21.903 25.807 -32.476 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -21.694 24.486 -34.834 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -22.630 23.267 -33.991 1.00 0.00 H new ATOM 0 HG LEU A 8 -23.468 26.196 -34.008 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -25.002 25.605 -35.866 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -23.303 25.395 -36.351 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -24.292 23.975 -35.935 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -25.684 25.206 -33.495 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -24.972 23.576 -33.566 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -24.470 24.712 -32.291 1.00 0.00 H new ATOM 20 N GLU A 9 -22.346 24.531 -30.347 1.00 0.00 N ATOM 21 CA GLU A 9 -22.924 23.818 -29.171 1.00 0.00 C ATOM 22 C GLU A 9 -22.300 22.422 -29.039 1.00 0.00 C ATOM 23 O GLU A 9 -22.934 21.432 -29.349 1.00 0.00 O ATOM 24 CB GLU A 9 -24.420 23.711 -29.469 1.00 0.00 C ATOM 25 CG GLU A 9 -25.196 23.602 -28.155 1.00 0.00 C ATOM 26 CD GLU A 9 -26.482 24.425 -28.250 1.00 0.00 C ATOM 27 OE1 GLU A 9 -26.982 24.579 -29.352 1.00 0.00 O ATOM 28 OE2 GLU A 9 -26.944 24.887 -27.220 1.00 0.00 O ATOM 0 H GLU A 9 -21.964 25.456 -30.149 1.00 0.00 H new ATOM 0 HA GLU A 9 -22.732 24.342 -28.235 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -24.753 24.585 -30.029 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.616 22.839 -30.093 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -25.434 22.559 -27.947 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -24.583 23.960 -27.328 1.00 0.00 H new ATOM 35 N PRO A 10 -21.072 22.385 -28.582 1.00 0.00 N ATOM 36 CA PRO A 10 -20.366 21.092 -28.412 1.00 0.00 C ATOM 37 C PRO A 10 -20.931 20.327 -27.211 1.00 0.00 C ATOM 38 O PRO A 10 -21.281 19.169 -27.310 1.00 0.00 O ATOM 39 CB PRO A 10 -18.918 21.502 -28.163 1.00 0.00 C ATOM 40 CG PRO A 10 -18.996 22.888 -27.609 1.00 0.00 C ATOM 41 CD PRO A 10 -20.234 23.526 -28.186 1.00 0.00 C ATOM 0 HA PRO A 10 -20.474 20.430 -29.271 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.431 20.824 -27.462 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -18.337 21.478 -29.085 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.046 22.866 -26.520 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -18.107 23.460 -27.876 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -20.738 24.155 -27.452 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -19.995 24.161 -29.039 1.00 0.00 H new ATOM 49 N ASP A 11 -21.025 20.974 -26.076 1.00 0.00 N ATOM 50 CA ASP A 11 -21.567 20.298 -24.854 1.00 0.00 C ATOM 51 C ASP A 11 -20.687 19.104 -24.467 1.00 0.00 C ATOM 52 O ASP A 11 -19.875 19.187 -23.567 1.00 0.00 O ATOM 53 CB ASP A 11 -22.977 19.830 -25.232 1.00 0.00 C ATOM 54 CG ASP A 11 -24.007 20.581 -24.385 1.00 0.00 C ATOM 55 OD1 ASP A 11 -23.812 20.662 -23.184 1.00 0.00 O ATOM 56 OD2 ASP A 11 -24.974 21.062 -24.953 1.00 0.00 O ATOM 0 H ASP A 11 -20.748 21.947 -25.941 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.584 20.969 -23.995 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -23.160 20.010 -26.291 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.071 18.756 -25.071 1.00 0.00 H new ATOM 61 N ASN A 12 -20.842 17.996 -25.138 1.00 0.00 N ATOM 62 CA ASN A 12 -20.014 16.801 -24.805 1.00 0.00 C ATOM 63 C ASN A 12 -19.693 16.013 -26.079 1.00 0.00 C ATOM 64 O ASN A 12 -19.449 14.824 -26.041 1.00 0.00 O ATOM 65 CB ASN A 12 -20.882 15.967 -23.863 1.00 0.00 C ATOM 66 CG ASN A 12 -22.221 15.662 -24.536 1.00 0.00 C ATOM 67 OD1 ASN A 12 -23.189 16.368 -24.336 1.00 0.00 O ATOM 68 ND2 ASN A 12 -22.318 14.632 -25.331 1.00 0.00 N ATOM 0 H ASN A 12 -21.505 17.866 -25.902 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.062 17.071 -24.348 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -20.371 15.038 -23.608 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -21.047 16.507 -22.930 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -23.207 14.420 -25.785 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.505 14.039 -25.499 1.00 0.00 H new ATOM 75 N VAL A 13 -19.692 16.671 -27.205 1.00 0.00 N ATOM 76 CA VAL A 13 -19.389 15.966 -28.483 1.00 0.00 C ATOM 77 C VAL A 13 -18.037 15.232 -28.377 1.00 0.00 C ATOM 78 O VAL A 13 -17.946 14.067 -28.712 1.00 0.00 O ATOM 79 CB VAL A 13 -19.383 17.085 -29.547 1.00 0.00 C ATOM 80 CG1 VAL A 13 -18.410 16.769 -30.692 1.00 0.00 C ATOM 81 CG2 VAL A 13 -20.794 17.227 -30.123 1.00 0.00 C ATOM 0 H VAL A 13 -19.888 17.668 -27.296 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.114 15.193 -28.737 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.061 18.010 -29.069 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.432 17.578 -31.422 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.400 16.667 -30.294 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -18.706 15.837 -31.174 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -20.802 18.015 -30.876 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -21.097 16.285 -30.580 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -21.489 17.482 -29.323 1.00 0.00 H new ATOM 91 N PRO A 14 -17.025 15.930 -27.916 1.00 0.00 N ATOM 92 CA PRO A 14 -15.690 15.311 -27.779 1.00 0.00 C ATOM 93 C PRO A 14 -15.626 14.474 -26.496 1.00 0.00 C ATOM 94 O PRO A 14 -15.858 13.282 -26.514 1.00 0.00 O ATOM 95 CB PRO A 14 -14.745 16.506 -27.715 1.00 0.00 C ATOM 96 CG PRO A 14 -15.575 17.650 -27.212 1.00 0.00 C ATOM 97 CD PRO A 14 -17.026 17.331 -27.484 1.00 0.00 C ATOM 0 HA PRO A 14 -15.440 14.631 -28.593 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.906 16.307 -27.048 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.326 16.727 -28.697 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.411 17.799 -26.145 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.289 18.576 -27.710 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.636 17.470 -26.591 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.437 17.983 -28.255 1.00 0.00 H new ATOM 105 N MET A 15 -15.321 15.085 -25.382 1.00 0.00 N ATOM 106 CA MET A 15 -15.255 14.316 -24.110 1.00 0.00 C ATOM 107 C MET A 15 -15.021 15.261 -22.929 1.00 0.00 C ATOM 108 O MET A 15 -13.901 15.478 -22.508 1.00 0.00 O ATOM 109 CB MET A 15 -14.071 13.363 -24.279 1.00 0.00 C ATOM 110 CG MET A 15 -14.066 12.346 -23.137 1.00 0.00 C ATOM 111 SD MET A 15 -14.905 10.834 -23.673 1.00 0.00 S ATOM 112 CE MET A 15 -13.778 9.658 -22.883 1.00 0.00 C ATOM 0 H MET A 15 -15.116 16.081 -25.300 1.00 0.00 H new ATOM 0 HA MET A 15 -16.182 13.779 -23.907 1.00 0.00 H new ATOM 0 HB2 MET A 15 -14.139 12.849 -25.238 1.00 0.00 H new ATOM 0 HB3 MET A 15 -13.137 13.924 -24.284 1.00 0.00 H new ATOM 0 HG2 MET A 15 -13.042 12.121 -22.841 1.00 0.00 H new ATOM 0 HG3 MET A 15 -14.567 12.762 -22.263 1.00 0.00 H new ATOM 0 HE1 MET A 15 -14.112 8.641 -23.087 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.772 9.796 -23.279 1.00 0.00 H new ATOM 0 HE3 MET A 15 -13.771 9.828 -21.806 1.00 0.00 H new ATOM 122 N ASP A 16 -16.067 15.824 -22.390 1.00 0.00 N ATOM 123 CA ASP A 16 -15.904 16.753 -21.235 1.00 0.00 C ATOM 124 C ASP A 16 -17.276 17.198 -20.720 1.00 0.00 C ATOM 125 O ASP A 16 -17.669 18.337 -20.877 1.00 0.00 O ATOM 126 CB ASP A 16 -15.129 17.947 -21.793 1.00 0.00 C ATOM 127 CG ASP A 16 -14.967 19.006 -20.701 1.00 0.00 C ATOM 128 OD1 ASP A 16 -14.839 18.627 -19.548 1.00 0.00 O ATOM 129 OD2 ASP A 16 -14.972 20.180 -21.035 1.00 0.00 O ATOM 0 H ASP A 16 -17.028 15.681 -22.699 1.00 0.00 H new ATOM 0 HA ASP A 16 -15.385 16.286 -20.398 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.151 17.625 -22.150 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.657 18.369 -22.648 1.00 0.00 H new ATOM 134 N MET A 17 -18.008 16.309 -20.107 1.00 0.00 N ATOM 135 CA MET A 17 -19.353 16.685 -19.585 1.00 0.00 C ATOM 136 C MET A 17 -19.238 17.878 -18.629 1.00 0.00 C ATOM 137 O MET A 17 -20.113 18.719 -18.568 1.00 0.00 O ATOM 138 CB MET A 17 -19.863 15.444 -18.849 1.00 0.00 C ATOM 139 CG MET A 17 -18.863 15.030 -17.768 1.00 0.00 C ATOM 140 SD MET A 17 -18.832 13.226 -17.634 1.00 0.00 S ATOM 141 CE MET A 17 -17.893 12.902 -19.146 1.00 0.00 C ATOM 0 H MET A 17 -17.734 15.340 -19.945 1.00 0.00 H new ATOM 0 HA MET A 17 -20.033 16.986 -20.382 1.00 0.00 H new ATOM 0 HB2 MET A 17 -20.833 15.651 -18.398 1.00 0.00 H new ATOM 0 HB3 MET A 17 -20.008 14.626 -19.555 1.00 0.00 H new ATOM 0 HG2 MET A 17 -17.869 15.404 -18.014 1.00 0.00 H new ATOM 0 HG3 MET A 17 -19.142 15.472 -16.811 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.571 11.861 -19.158 1.00 0.00 H new ATOM 0 HE2 MET A 17 -18.523 13.097 -20.014 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.019 13.553 -19.178 1.00 0.00 H new ATOM 151 N SER A 18 -18.163 17.966 -17.890 1.00 0.00 N ATOM 152 CA SER A 18 -18.000 19.114 -16.950 1.00 0.00 C ATOM 153 C SER A 18 -16.630 19.057 -16.256 1.00 0.00 C ATOM 154 O SER A 18 -15.840 19.970 -16.391 1.00 0.00 O ATOM 155 CB SER A 18 -19.133 18.973 -15.932 1.00 0.00 C ATOM 156 OG SER A 18 -20.170 19.892 -16.255 1.00 0.00 O ATOM 0 H SER A 18 -17.394 17.296 -17.896 1.00 0.00 H new ATOM 0 HA SER A 18 -18.044 20.071 -17.469 1.00 0.00 H new ATOM 0 HB2 SER A 18 -19.519 17.954 -15.939 1.00 0.00 H new ATOM 0 HB3 SER A 18 -18.760 19.166 -14.926 1.00 0.00 H new ATOM 0 HG SER A 18 -20.381 19.825 -17.210 1.00 0.00 H new ATOM 162 N PRO A 19 -16.384 17.990 -15.530 1.00 0.00 N ATOM 163 CA PRO A 19 -15.090 17.848 -14.821 1.00 0.00 C ATOM 164 C PRO A 19 -13.941 17.577 -15.793 1.00 0.00 C ATOM 165 O PRO A 19 -13.253 18.484 -16.215 1.00 0.00 O ATOM 166 CB PRO A 19 -15.319 16.674 -13.878 1.00 0.00 C ATOM 167 CG PRO A 19 -16.424 15.881 -14.489 1.00 0.00 C ATOM 168 CD PRO A 19 -17.265 16.835 -15.300 1.00 0.00 C ATOM 0 HA PRO A 19 -14.800 18.757 -14.293 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.416 16.073 -13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.589 17.019 -12.880 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.024 15.088 -15.121 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.025 15.400 -13.717 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.584 16.384 -16.240 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -18.168 17.124 -14.763 1.00 0.00 H new ATOM 176 N LYS A 20 -13.711 16.335 -16.129 1.00 0.00 N ATOM 177 CA LYS A 20 -12.583 15.986 -17.055 1.00 0.00 C ATOM 178 C LYS A 20 -11.256 16.240 -16.340 1.00 0.00 C ATOM 179 O LYS A 20 -10.523 15.321 -16.030 1.00 0.00 O ATOM 180 CB LYS A 20 -12.726 16.891 -18.286 1.00 0.00 C ATOM 181 CG LYS A 20 -11.978 16.268 -19.465 1.00 0.00 C ATOM 182 CD LYS A 20 -10.474 16.479 -19.283 1.00 0.00 C ATOM 183 CE LYS A 20 -9.883 17.084 -20.558 1.00 0.00 C ATOM 184 NZ LYS A 20 -8.485 16.577 -20.612 1.00 0.00 N ATOM 0 H LYS A 20 -14.258 15.539 -15.801 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.608 14.938 -17.355 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.779 17.019 -18.536 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.327 17.882 -18.071 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.202 15.203 -19.530 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.309 16.720 -20.400 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.289 17.139 -18.436 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.988 15.529 -19.060 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.448 16.778 -21.439 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.907 18.173 -20.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.013 16.949 -21.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.970 16.889 -19.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.494 15.538 -20.649 1.00 0.00 H new ATOM 198 N ALA A 21 -10.950 17.475 -16.048 1.00 0.00 N ATOM 199 CA ALA A 21 -9.683 17.768 -15.322 1.00 0.00 C ATOM 200 C ALA A 21 -9.679 16.992 -14.003 1.00 0.00 C ATOM 201 O ALA A 21 -8.644 16.622 -13.486 1.00 0.00 O ATOM 202 CB ALA A 21 -9.706 19.275 -15.065 1.00 0.00 C ATOM 0 H ALA A 21 -11.519 18.289 -16.279 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.794 17.478 -15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.801 19.567 -14.532 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.754 19.806 -16.016 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.579 19.528 -14.464 1.00 0.00 H new ATOM 208 N LEU A 22 -10.843 16.729 -13.472 1.00 0.00 N ATOM 209 CA LEU A 22 -10.939 15.956 -12.200 1.00 0.00 C ATOM 210 C LEU A 22 -10.729 14.479 -12.516 1.00 0.00 C ATOM 211 O LEU A 22 -9.955 13.788 -11.883 1.00 0.00 O ATOM 212 CB LEU A 22 -12.374 16.159 -11.701 1.00 0.00 C ATOM 213 CG LEU A 22 -12.575 17.565 -11.131 1.00 0.00 C ATOM 214 CD1 LEU A 22 -12.379 18.612 -12.230 1.00 0.00 C ATOM 215 CD2 LEU A 22 -14.001 17.674 -10.584 1.00 0.00 C ATOM 0 H LEU A 22 -11.737 17.019 -13.868 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.202 16.275 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.072 15.994 -12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.602 15.418 -10.935 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.848 17.742 -10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.524 19.609 -11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.370 18.531 -12.634 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.103 18.443 -13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.158 18.672 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.714 17.496 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.147 16.932 -9.799 1.00 0.00 H new ATOM 227 N GLN A 23 -11.433 14.004 -13.506 1.00 0.00 N ATOM 228 CA GLN A 23 -11.319 12.576 -13.910 1.00 0.00 C ATOM 229 C GLN A 23 -9.849 12.185 -14.089 1.00 0.00 C ATOM 230 O GLN A 23 -9.368 11.250 -13.480 1.00 0.00 O ATOM 231 CB GLN A 23 -12.065 12.502 -15.244 1.00 0.00 C ATOM 232 CG GLN A 23 -12.700 11.120 -15.397 1.00 0.00 C ATOM 233 CD GLN A 23 -13.669 11.130 -16.580 1.00 0.00 C ATOM 234 OE1 GLN A 23 -14.430 12.062 -16.750 1.00 0.00 O ATOM 235 NE2 GLN A 23 -13.675 10.125 -17.412 1.00 0.00 N ATOM 0 H GLN A 23 -12.091 14.553 -14.059 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.730 11.895 -13.165 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.834 13.274 -15.286 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.377 12.691 -16.068 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.926 10.368 -15.554 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.228 10.848 -14.483 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.037 9.342 -17.271 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -14.318 10.122 -18.204 1.00 0.00 H new ATOM 244 N GLN A 24 -9.136 12.892 -14.920 1.00 0.00 N ATOM 245 CA GLN A 24 -7.699 12.559 -15.140 1.00 0.00 C ATOM 246 C GLN A 24 -6.908 12.719 -13.838 1.00 0.00 C ATOM 247 O GLN A 24 -6.107 11.878 -13.480 1.00 0.00 O ATOM 248 CB GLN A 24 -7.215 13.564 -16.187 1.00 0.00 C ATOM 249 CG GLN A 24 -6.553 12.817 -17.345 1.00 0.00 C ATOM 250 CD GLN A 24 -5.375 13.636 -17.876 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.488 14.302 -18.885 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.238 13.614 -17.233 1.00 0.00 N ATOM 0 H GLN A 24 -9.485 13.686 -15.457 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.562 11.528 -15.468 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.054 14.155 -16.554 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.507 14.260 -15.738 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.208 11.839 -17.010 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.277 12.644 -18.141 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.142 13.055 -16.385 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.446 14.156 -17.579 1.00 0.00 H new ATOM 261 N LYS A 25 -7.122 13.793 -13.127 1.00 0.00 N ATOM 262 CA LYS A 25 -6.379 14.005 -11.851 1.00 0.00 C ATOM 263 C LYS A 25 -6.714 12.897 -10.849 1.00 0.00 C ATOM 264 O LYS A 25 -5.839 12.250 -10.309 1.00 0.00 O ATOM 265 CB LYS A 25 -6.858 15.360 -11.331 1.00 0.00 C ATOM 266 CG LYS A 25 -5.865 16.446 -11.747 1.00 0.00 C ATOM 267 CD LYS A 25 -6.626 17.721 -12.115 1.00 0.00 C ATOM 268 CE LYS A 25 -5.807 18.945 -11.697 1.00 0.00 C ATOM 269 NZ LYS A 25 -4.754 19.077 -12.741 1.00 0.00 N ATOM 0 H LYS A 25 -7.779 14.533 -13.374 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.299 13.983 -11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.847 15.585 -11.729 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.950 15.333 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.169 16.648 -10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.273 16.106 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.816 17.747 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.597 17.733 -11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.429 19.839 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.368 18.808 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.819 19.121 -12.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.791 18.255 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.915 19.947 -13.288 1.00 0.00 H new ATOM 283 N ILE A 26 -7.975 12.673 -10.596 1.00 0.00 N ATOM 284 CA ILE A 26 -8.362 11.606 -9.626 1.00 0.00 C ATOM 285 C ILE A 26 -7.700 10.278 -10.007 1.00 0.00 C ATOM 286 O ILE A 26 -7.079 9.627 -9.191 1.00 0.00 O ATOM 287 CB ILE A 26 -9.884 11.502 -9.739 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.520 12.812 -9.269 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.384 10.351 -8.863 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.953 12.903 -9.797 1.00 0.00 C ATOM 0 H ILE A 26 -8.753 13.181 -11.017 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.044 11.836 -8.609 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.159 11.315 -10.777 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.519 12.859 -8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.936 13.660 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.468 10.277 -8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.931 9.417 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.109 10.538 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.406 13.836 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.942 12.876 -10.887 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.534 12.062 -9.419 1.00 0.00 H new ATOM 302 N HIS A 27 -7.828 9.874 -11.241 1.00 0.00 N ATOM 303 CA HIS A 27 -7.205 8.589 -11.672 1.00 0.00 C ATOM 304 C HIS A 27 -5.679 8.719 -11.691 1.00 0.00 C ATOM 305 O HIS A 27 -4.963 7.737 -11.658 1.00 0.00 O ATOM 306 CB HIS A 27 -7.739 8.345 -13.083 1.00 0.00 C ATOM 307 CG HIS A 27 -7.934 6.869 -13.299 1.00 0.00 C ATOM 308 ND1 HIS A 27 -6.917 5.951 -13.088 1.00 0.00 N ATOM 309 CD2 HIS A 27 -9.022 6.138 -13.704 1.00 0.00 C ATOM 310 CE1 HIS A 27 -7.410 4.730 -13.365 1.00 0.00 C ATOM 311 NE2 HIS A 27 -8.690 4.787 -13.745 1.00 0.00 N ATOM 0 H HIS A 27 -8.336 10.377 -11.969 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.444 7.768 -10.997 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.683 8.871 -13.222 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.042 8.742 -13.821 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.968 6.162 -12.779 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.989 6.549 -13.953 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.841 3.815 -13.289 1.00 0.00 H new ATOM 319 N GLU A 28 -5.174 9.922 -11.743 1.00 0.00 N ATOM 320 CA GLU A 28 -3.695 10.111 -11.765 1.00 0.00 C ATOM 321 C GLU A 28 -3.112 9.892 -10.366 1.00 0.00 C ATOM 322 O GLU A 28 -2.054 9.316 -10.209 1.00 0.00 O ATOM 323 CB GLU A 28 -3.487 11.559 -12.211 1.00 0.00 C ATOM 324 CG GLU A 28 -3.130 11.588 -13.700 1.00 0.00 C ATOM 325 CD GLU A 28 -1.783 10.895 -13.918 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.050 10.751 -12.954 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.509 10.521 -15.045 1.00 0.00 O ATOM 0 H GLU A 28 -5.722 10.782 -11.771 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.199 9.404 -12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.392 12.140 -12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.691 12.020 -11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.906 11.088 -14.280 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.082 12.618 -14.053 1.00 0.00 H new ATOM 334 N LEU A 29 -3.792 10.347 -9.350 1.00 0.00 N ATOM 335 CA LEU A 29 -3.273 10.161 -7.965 1.00 0.00 C ATOM 336 C LEU A 29 -3.551 8.735 -7.485 1.00 0.00 C ATOM 337 O LEU A 29 -2.725 8.110 -6.853 1.00 0.00 O ATOM 338 CB LEU A 29 -4.041 11.174 -7.115 1.00 0.00 C ATOM 339 CG LEU A 29 -3.498 12.579 -7.378 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.574 13.615 -7.049 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.270 12.823 -6.496 1.00 0.00 C ATOM 0 H LEU A 29 -4.683 10.839 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.195 10.312 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.104 11.133 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.942 10.927 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.218 12.669 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.185 14.616 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.449 13.442 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.856 13.526 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.881 13.824 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.552 12.732 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.502 12.086 -6.730 1.00 0.00 H new ATOM 353 N GLU A 30 -4.712 8.217 -7.782 1.00 0.00 N ATOM 354 CA GLU A 30 -5.043 6.831 -7.344 1.00 0.00 C ATOM 355 C GLU A 30 -3.953 5.859 -7.800 1.00 0.00 C ATOM 356 O GLU A 30 -3.538 4.986 -7.064 1.00 0.00 O ATOM 357 CB GLU A 30 -6.372 6.506 -8.027 1.00 0.00 C ATOM 358 CG GLU A 30 -7.054 5.348 -7.294 1.00 0.00 C ATOM 359 CD GLU A 30 -8.271 4.883 -8.095 1.00 0.00 C ATOM 360 OE1 GLU A 30 -8.133 4.700 -9.293 1.00 0.00 O ATOM 361 OE2 GLU A 30 -9.321 4.719 -7.497 1.00 0.00 O ATOM 0 H GLU A 30 -5.445 8.693 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.111 6.745 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.019 7.383 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.201 6.240 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.354 4.523 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.361 5.665 -6.297 1.00 0.00 H new ATOM 368 N GLY A 31 -3.485 6.005 -9.009 1.00 0.00 N ATOM 369 CA GLY A 31 -2.421 5.091 -9.512 1.00 0.00 C ATOM 370 C GLY A 31 -1.060 5.544 -8.978 1.00 0.00 C ATOM 371 O GLY A 31 -0.118 4.778 -8.927 1.00 0.00 O ATOM 0 H GLY A 31 -3.793 6.718 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.626 4.069 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.413 5.090 -10.602 1.00 0.00 H new ATOM 375 N LEU A 32 -0.946 6.783 -8.579 1.00 0.00 N ATOM 376 CA LEU A 32 0.358 7.278 -8.051 1.00 0.00 C ATOM 377 C LEU A 32 0.821 6.413 -6.876 1.00 0.00 C ATOM 378 O LEU A 32 1.906 5.866 -6.887 1.00 0.00 O ATOM 379 CB LEU A 32 0.082 8.710 -7.590 1.00 0.00 C ATOM 380 CG LEU A 32 1.404 9.398 -7.240 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.329 9.385 -8.459 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.129 10.846 -6.826 1.00 0.00 C ATOM 0 H LEU A 32 -1.698 7.472 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 32 1.148 7.237 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.431 9.264 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.577 8.703 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 32 1.882 8.866 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.269 9.875 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.525 8.355 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.852 9.916 -9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.069 11.338 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.650 11.375 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.472 10.857 -5.957 1.00 0.00 H new ATOM 394 N MET A 33 0.010 6.281 -5.861 1.00 0.00 N ATOM 395 CA MET A 33 0.418 5.447 -4.694 1.00 0.00 C ATOM 396 C MET A 33 0.212 3.963 -5.007 1.00 0.00 C ATOM 397 O MET A 33 0.793 3.101 -4.378 1.00 0.00 O ATOM 398 CB MET A 33 -0.487 5.888 -3.539 1.00 0.00 C ATOM 399 CG MET A 33 -1.953 5.733 -3.944 1.00 0.00 C ATOM 400 SD MET A 33 -2.871 4.920 -2.615 1.00 0.00 S ATOM 401 CE MET A 33 -3.995 3.972 -3.670 1.00 0.00 C ATOM 0 H MET A 33 -0.912 6.712 -5.789 1.00 0.00 H new ATOM 0 HA MET A 33 1.472 5.576 -4.448 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.279 5.289 -2.653 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.280 6.926 -3.278 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.387 6.710 -4.154 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.027 5.148 -4.861 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.862 3.658 -3.088 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.323 4.594 -4.503 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.478 3.093 -4.055 1.00 0.00 H new ATOM 411 N MET A 34 -0.606 3.655 -5.978 1.00 0.00 N ATOM 412 CA MET A 34 -0.839 2.223 -6.329 1.00 0.00 C ATOM 413 C MET A 34 0.479 1.565 -6.740 1.00 0.00 C ATOM 414 O MET A 34 0.871 0.552 -6.196 1.00 0.00 O ATOM 415 CB MET A 34 -1.815 2.255 -7.505 1.00 0.00 C ATOM 416 CG MET A 34 -2.766 1.061 -7.412 1.00 0.00 C ATOM 417 SD MET A 34 -1.829 -0.474 -7.614 1.00 0.00 S ATOM 418 CE MET A 34 -2.847 -1.506 -6.531 1.00 0.00 C ATOM 0 H MET A 34 -1.122 4.331 -6.542 1.00 0.00 H new ATOM 0 HA MET A 34 -1.235 1.649 -5.491 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.382 3.186 -7.496 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.267 2.225 -8.447 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.277 1.064 -6.449 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.535 1.134 -8.181 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.820 -2.538 -6.881 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.460 -1.458 -5.513 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.875 -1.145 -6.546 1.00 0.00 H new ATOM 428 N GLN A 35 1.173 2.135 -7.688 1.00 0.00 N ATOM 429 CA GLN A 35 2.469 1.536 -8.116 1.00 0.00 C ATOM 430 C GLN A 35 3.381 1.360 -6.900 1.00 0.00 C ATOM 431 O GLN A 35 4.254 0.516 -6.880 1.00 0.00 O ATOM 432 CB GLN A 35 3.071 2.540 -9.102 1.00 0.00 C ATOM 433 CG GLN A 35 3.157 3.918 -8.445 1.00 0.00 C ATOM 434 CD GLN A 35 4.158 4.787 -9.209 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.391 4.577 -10.382 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.764 5.762 -8.587 1.00 0.00 N ATOM 0 H GLN A 35 0.900 2.985 -8.182 1.00 0.00 H new ATOM 0 HA GLN A 35 2.344 0.554 -8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.063 2.211 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.458 2.593 -10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.176 4.393 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.466 3.818 -7.405 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.568 5.938 -7.602 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.433 6.348 -9.086 1.00 0.00 H new ATOM 445 N HIS A 36 3.171 2.146 -5.880 1.00 0.00 N ATOM 446 CA HIS A 36 4.011 2.023 -4.656 1.00 0.00 C ATOM 447 C HIS A 36 3.512 0.858 -3.799 1.00 0.00 C ATOM 448 O HIS A 36 4.252 -0.049 -3.475 1.00 0.00 O ATOM 449 CB HIS A 36 3.836 3.349 -3.919 1.00 0.00 C ATOM 450 CG HIS A 36 4.928 4.300 -4.328 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.541 5.334 -3.664 1.00 0.00 N flip ATOM 452 CD2 HIS A 36 5.524 4.246 -5.578 1.00 0.00 C flip ATOM 453 CE1 HIS A 36 6.502 5.914 -4.486 1.00 0.00 C flip ATOM 454 NE2 HIS A 36 6.451 5.220 -5.627 1.00 0.00 N flip ATOM 0 H HIS A 36 2.453 2.869 -5.842 1.00 0.00 H new ATOM 0 HA HIS A 36 5.058 1.826 -4.886 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.861 3.778 -4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.867 3.185 -2.842 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.288 3.549 -6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.150 6.746 -4.252 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.043 5.406 -6.437 1.00 0.00 H new ATOM 462 N ALA A 37 2.253 0.868 -3.439 1.00 0.00 N ATOM 463 CA ALA A 37 1.700 -0.249 -2.614 1.00 0.00 C ATOM 464 C ALA A 37 2.076 -1.589 -3.249 1.00 0.00 C ATOM 465 O ALA A 37 2.357 -2.556 -2.569 1.00 0.00 O ATOM 466 CB ALA A 37 0.183 -0.045 -2.636 1.00 0.00 C ATOM 0 H ALA A 37 1.585 1.600 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 37 2.089 -0.254 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.298 -0.828 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.059 0.928 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.175 -0.089 -3.664 1.00 0.00 H new ATOM 472 N GLN A 38 2.101 -1.644 -4.553 1.00 0.00 N ATOM 473 CA GLN A 38 2.481 -2.910 -5.241 1.00 0.00 C ATOM 474 C GLN A 38 3.980 -3.155 -5.053 1.00 0.00 C ATOM 475 O GLN A 38 4.423 -4.274 -4.886 1.00 0.00 O ATOM 476 CB GLN A 38 2.156 -2.677 -6.716 1.00 0.00 C ATOM 477 CG GLN A 38 0.658 -2.883 -6.949 1.00 0.00 C ATOM 478 CD GLN A 38 0.393 -3.054 -8.446 1.00 0.00 C ATOM 479 OE1 GLN A 38 0.648 -4.201 -9.014 1.00 0.00 O flip ATOM 480 NE2 GLN A 38 -0.050 -2.135 -9.105 1.00 0.00 N flip ATOM 0 H GLN A 38 1.874 -0.866 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 38 1.953 -3.779 -4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.444 -1.667 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.729 -3.364 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.312 -3.762 -6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.099 -2.030 -6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.249 -1.239 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.223 -2.260 -10.103 1.00 0.00 H new ATOM 489 N ASN A 39 4.761 -2.108 -5.070 1.00 0.00 N ATOM 490 CA ASN A 39 6.231 -2.265 -4.882 1.00 0.00 C ATOM 491 C ASN A 39 6.590 -2.037 -3.411 1.00 0.00 C ATOM 492 O ASN A 39 7.695 -1.659 -3.081 1.00 0.00 O ATOM 493 CB ASN A 39 6.861 -1.185 -5.762 1.00 0.00 C ATOM 494 CG ASN A 39 6.871 -1.654 -7.218 1.00 0.00 C ATOM 495 OD1 ASN A 39 5.830 -1.881 -7.802 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.011 -1.810 -7.834 1.00 0.00 N ATOM 0 H ASN A 39 4.443 -1.149 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 39 6.583 -3.261 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.300 -0.255 -5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.878 -0.977 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.028 -2.122 -8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.885 -1.620 -7.345 1.00 0.00 H new ATOM 503 N LEU A 40 5.653 -2.267 -2.529 1.00 0.00 N ATOM 504 CA LEU A 40 5.919 -2.071 -1.073 1.00 0.00 C ATOM 505 C LEU A 40 6.405 -0.645 -0.797 1.00 0.00 C ATOM 506 O LEU A 40 7.343 -0.432 -0.054 1.00 0.00 O ATOM 507 CB LEU A 40 7.002 -3.091 -0.718 1.00 0.00 C ATOM 508 CG LEU A 40 6.355 -4.449 -0.442 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.526 -5.355 -1.662 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.026 -5.096 0.771 1.00 0.00 C ATOM 0 H LEU A 40 4.710 -2.584 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 40 5.019 -2.212 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.717 -3.177 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.558 -2.757 0.158 1.00 0.00 H new ATOM 0 HG LEU A 40 5.293 -4.310 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.065 -6.323 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.048 -4.895 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.588 -5.494 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.565 -6.064 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.088 -5.234 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.903 -4.452 1.641 1.00 0.00 H new ATOM 522 N GLU A 41 5.765 0.333 -1.378 1.00 0.00 N ATOM 523 CA GLU A 41 6.179 1.746 -1.137 1.00 0.00 C ATOM 524 C GLU A 41 4.965 2.582 -0.712 1.00 0.00 C ATOM 525 O GLU A 41 4.981 3.795 -0.774 1.00 0.00 O ATOM 526 CB GLU A 41 6.730 2.236 -2.476 1.00 0.00 C ATOM 527 CG GLU A 41 8.006 1.463 -2.817 1.00 0.00 C ATOM 528 CD GLU A 41 9.226 2.273 -2.376 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.403 2.438 -1.180 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.964 2.714 -3.241 1.00 0.00 O ATOM 0 H GLU A 41 4.973 0.215 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 41 6.920 1.831 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.986 2.095 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.942 3.304 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.001 0.493 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.052 1.271 -3.889 1.00 0.00 H new ATOM 537 N PHE A 42 3.913 1.934 -0.280 1.00 0.00 N ATOM 538 CA PHE A 42 2.683 2.662 0.150 1.00 0.00 C ATOM 539 C PHE A 42 2.965 3.610 1.321 1.00 0.00 C ATOM 540 O PHE A 42 2.121 4.403 1.677 1.00 0.00 O ATOM 541 CB PHE A 42 1.696 1.573 0.585 1.00 0.00 C ATOM 542 CG PHE A 42 2.352 0.654 1.587 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.668 1.126 2.882 1.00 0.00 C ATOM 544 CD2 PHE A 42 2.655 -0.680 1.230 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.283 0.265 3.815 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.267 -1.535 2.163 1.00 0.00 C ATOM 547 CZ PHE A 42 3.582 -1.066 3.457 1.00 0.00 C ATOM 0 H PHE A 42 3.855 0.918 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 42 2.295 3.280 -0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.808 2.029 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.365 1.002 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.439 2.145 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.416 -1.042 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.525 0.625 4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.497 -2.554 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.051 -1.726 4.172 1.00 0.00 H new ATOM 557 N GLU A 43 4.124 3.554 1.928 1.00 0.00 N ATOM 558 CA GLU A 43 4.404 4.483 3.065 1.00 0.00 C ATOM 559 C GLU A 43 4.049 5.914 2.649 1.00 0.00 C ATOM 560 O GLU A 43 3.098 6.498 3.129 1.00 0.00 O ATOM 561 CB GLU A 43 5.904 4.351 3.327 1.00 0.00 C ATOM 562 CG GLU A 43 6.324 5.343 4.413 1.00 0.00 C ATOM 563 CD GLU A 43 7.782 5.752 4.196 1.00 0.00 C ATOM 564 OE1 GLU A 43 8.245 5.649 3.072 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.411 6.163 5.158 1.00 0.00 O ATOM 0 H GLU A 43 4.881 2.913 1.689 1.00 0.00 H new ATOM 0 HA GLU A 43 3.822 4.249 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.141 3.334 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.462 4.542 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.681 6.223 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.205 4.892 5.398 1.00 0.00 H new ATOM 572 N GLU A 44 4.794 6.462 1.736 1.00 0.00 N ATOM 573 CA GLU A 44 4.492 7.838 1.254 1.00 0.00 C ATOM 574 C GLU A 44 3.371 7.783 0.207 1.00 0.00 C ATOM 575 O GLU A 44 2.728 8.772 -0.084 1.00 0.00 O ATOM 576 CB GLU A 44 5.794 8.336 0.623 1.00 0.00 C ATOM 577 CG GLU A 44 6.214 7.388 -0.502 1.00 0.00 C ATOM 578 CD GLU A 44 7.104 8.138 -1.495 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.846 9.308 -1.726 1.00 0.00 O ATOM 580 OE2 GLU A 44 8.028 7.529 -2.008 1.00 0.00 O ATOM 0 H GLU A 44 5.602 6.017 1.300 1.00 0.00 H new ATOM 0 HA GLU A 44 4.156 8.497 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.658 9.344 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.578 8.391 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.750 6.533 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.333 6.997 -1.010 1.00 0.00 H new ATOM 587 N ALA A 45 3.146 6.631 -0.371 1.00 0.00 N ATOM 588 CA ALA A 45 2.085 6.498 -1.412 1.00 0.00 C ATOM 589 C ALA A 45 0.688 6.432 -0.780 1.00 0.00 C ATOM 590 O ALA A 45 -0.195 7.189 -1.129 1.00 0.00 O ATOM 591 CB ALA A 45 2.413 5.183 -2.124 1.00 0.00 C ATOM 0 H ALA A 45 3.656 5.772 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 45 2.069 7.352 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.680 5.002 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.409 5.246 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.384 4.363 -1.406 1.00 0.00 H new ATOM 597 N ALA A 46 0.481 5.521 0.135 1.00 0.00 N ATOM 598 CA ALA A 46 -0.858 5.380 0.791 1.00 0.00 C ATOM 599 C ALA A 46 -1.429 6.747 1.179 1.00 0.00 C ATOM 600 O ALA A 46 -2.627 6.944 1.202 1.00 0.00 O ATOM 601 CB ALA A 46 -0.609 4.532 2.040 1.00 0.00 C ATOM 0 H ALA A 46 1.188 4.861 0.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.584 4.921 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.548 4.386 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.204 3.563 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.102 5.042 2.690 1.00 0.00 H new ATOM 607 N GLN A 47 -0.585 7.697 1.477 1.00 0.00 N ATOM 608 CA GLN A 47 -1.096 9.046 1.853 1.00 0.00 C ATOM 609 C GLN A 47 -2.003 9.582 0.743 1.00 0.00 C ATOM 610 O GLN A 47 -2.960 10.286 0.996 1.00 0.00 O ATOM 611 CB GLN A 47 0.145 9.922 2.000 1.00 0.00 C ATOM 612 CG GLN A 47 1.065 9.331 3.069 1.00 0.00 C ATOM 613 CD GLN A 47 1.900 10.449 3.699 1.00 0.00 C ATOM 614 OE1 GLN A 47 3.106 10.340 3.798 1.00 0.00 O ATOM 615 NE2 GLN A 47 1.303 11.526 4.131 1.00 0.00 N ATOM 0 H GLN A 47 0.430 7.599 1.477 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.683 9.026 2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.672 9.987 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.144 10.937 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.474 8.828 3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.719 8.580 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.290 11.616 4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.849 12.278 4.552 1.00 0.00 H new ATOM 624 N ILE A 48 -1.713 9.246 -0.486 1.00 0.00 N ATOM 625 CA ILE A 48 -2.562 9.727 -1.614 1.00 0.00 C ATOM 626 C ILE A 48 -4.031 9.417 -1.323 1.00 0.00 C ATOM 627 O ILE A 48 -4.919 10.161 -1.690 1.00 0.00 O ATOM 628 CB ILE A 48 -2.072 8.949 -2.836 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.633 9.359 -3.158 1.00 0.00 C ATOM 630 CG2 ILE A 48 -2.969 9.255 -4.037 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.574 10.865 -3.425 1.00 0.00 C ATOM 0 H ILE A 48 -0.924 8.659 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.488 10.804 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.109 7.881 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.024 9.101 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.275 8.811 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.616 8.699 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.994 8.962 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.937 10.323 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.452 11.154 -3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.217 11.110 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.914 11.405 -2.541 1.00 0.00 H new ATOM 643 N ARG A 49 -4.288 8.327 -0.649 1.00 0.00 N ATOM 644 CA ARG A 49 -5.697 7.965 -0.306 1.00 0.00 C ATOM 645 C ARG A 49 -6.408 9.185 0.297 1.00 0.00 C ATOM 646 O ARG A 49 -7.603 9.353 0.157 1.00 0.00 O ATOM 647 CB ARG A 49 -5.561 6.826 0.718 1.00 0.00 C ATOM 648 CG ARG A 49 -6.884 6.591 1.457 1.00 0.00 C ATOM 649 CD ARG A 49 -6.669 6.788 2.961 1.00 0.00 C ATOM 650 NE ARG A 49 -6.167 8.184 3.109 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.758 9.005 3.933 1.00 0.00 C ATOM 652 NH1 ARG A 49 -6.156 9.373 5.032 1.00 0.00 N ATOM 653 NH2 ARG A 49 -7.953 9.455 3.662 1.00 0.00 N ATOM 0 H ARG A 49 -3.581 7.669 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.288 7.657 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.256 5.911 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.777 7.069 1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.644 7.283 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.249 5.583 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.598 6.644 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.950 6.068 3.353 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.362 8.497 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.224 9.019 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.618 10.015 5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.425 9.165 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.415 10.097 4.307 1.00 0.00 H new ATOM 667 N ASP A 50 -5.673 10.041 0.951 1.00 0.00 N ATOM 668 CA ASP A 50 -6.301 11.254 1.544 1.00 0.00 C ATOM 669 C ASP A 50 -6.742 12.193 0.421 1.00 0.00 C ATOM 670 O ASP A 50 -7.800 12.787 0.472 1.00 0.00 O ATOM 671 CB ASP A 50 -5.201 11.900 2.388 1.00 0.00 C ATOM 672 CG ASP A 50 -5.810 12.989 3.274 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.132 14.041 2.747 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.944 12.753 4.463 1.00 0.00 O ATOM 0 H ASP A 50 -4.668 9.953 1.100 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.182 11.025 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.711 11.146 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.436 12.329 1.741 1.00 0.00 H new ATOM 679 N GLN A 51 -5.938 12.321 -0.599 1.00 0.00 N ATOM 680 CA GLN A 51 -6.309 13.209 -1.737 1.00 0.00 C ATOM 681 C GLN A 51 -7.289 12.481 -2.661 1.00 0.00 C ATOM 682 O GLN A 51 -8.134 13.086 -3.290 1.00 0.00 O ATOM 683 CB GLN A 51 -4.994 13.496 -2.465 1.00 0.00 C ATOM 684 CG GLN A 51 -3.963 14.039 -1.471 1.00 0.00 C ATOM 685 CD GLN A 51 -2.623 14.235 -2.181 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.595 13.811 -1.691 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.589 14.866 -3.324 1.00 0.00 N ATOM 0 H GLN A 51 -5.039 11.848 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.796 14.128 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.619 12.585 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.159 14.219 -3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.308 14.985 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.847 13.347 -0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.452 15.222 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.700 15.003 -3.805 1.00 0.00 H new ATOM 696 N LEU A 52 -7.178 11.182 -2.743 1.00 0.00 N ATOM 697 CA LEU A 52 -8.099 10.405 -3.623 1.00 0.00 C ATOM 698 C LEU A 52 -9.535 10.503 -3.101 1.00 0.00 C ATOM 699 O LEU A 52 -10.474 10.637 -3.859 1.00 0.00 O ATOM 700 CB LEU A 52 -7.595 8.961 -3.540 1.00 0.00 C ATOM 701 CG LEU A 52 -6.917 8.571 -4.858 1.00 0.00 C ATOM 702 CD1 LEU A 52 -7.944 8.610 -5.991 1.00 0.00 C ATOM 703 CD2 LEU A 52 -5.785 9.556 -5.164 1.00 0.00 C ATOM 0 H LEU A 52 -6.489 10.625 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.108 10.777 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.891 8.859 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.427 8.287 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.509 7.564 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.462 8.333 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.750 7.908 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.353 9.617 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.304 9.277 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.193 10.563 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.052 9.529 -4.358 1.00 0.00 H new ATOM 715 N HIS A 53 -9.712 10.439 -1.809 1.00 0.00 N ATOM 716 CA HIS A 53 -11.087 10.529 -1.238 1.00 0.00 C ATOM 717 C HIS A 53 -11.592 11.972 -1.304 1.00 0.00 C ATOM 718 O HIS A 53 -12.745 12.224 -1.588 1.00 0.00 O ATOM 719 CB HIS A 53 -10.942 10.076 0.215 1.00 0.00 C ATOM 720 CG HIS A 53 -12.205 9.389 0.655 1.00 0.00 C ATOM 721 ND1 HIS A 53 -13.404 10.070 0.800 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.472 8.084 0.987 1.00 0.00 C ATOM 723 CE1 HIS A 53 -14.329 9.179 1.203 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.814 7.954 1.332 1.00 0.00 N ATOM 0 H HIS A 53 -8.964 10.328 -1.124 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.804 9.917 -1.785 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.094 9.398 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.740 10.934 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.750 7.280 0.981 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -15.362 9.425 1.398 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.300 7.105 1.621 1.00 0.00 H new ATOM 732 N GLN A 54 -10.736 12.923 -1.041 1.00 0.00 N ATOM 733 CA GLN A 54 -11.168 14.349 -1.090 1.00 0.00 C ATOM 734 C GLN A 54 -11.565 14.734 -2.518 1.00 0.00 C ATOM 735 O GLN A 54 -12.635 15.257 -2.755 1.00 0.00 O ATOM 736 CB GLN A 54 -9.947 15.149 -0.637 1.00 0.00 C ATOM 737 CG GLN A 54 -10.321 16.627 -0.512 1.00 0.00 C ATOM 738 CD GLN A 54 -9.854 17.160 0.843 1.00 0.00 C ATOM 739 OE1 GLN A 54 -8.729 17.598 0.982 1.00 0.00 O ATOM 740 NE2 GLN A 54 -10.676 17.142 1.856 1.00 0.00 N ATOM 0 H GLN A 54 -9.757 12.774 -0.795 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.036 14.539 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.587 14.772 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.134 15.028 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.860 17.199 -1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.400 16.749 -0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.620 16.775 1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.374 17.495 2.764 1.00 0.00 H new ATOM 749 N LEU A 55 -10.709 14.478 -3.469 1.00 0.00 N ATOM 750 CA LEU A 55 -11.038 14.829 -4.881 1.00 0.00 C ATOM 751 C LEU A 55 -12.267 14.044 -5.347 1.00 0.00 C ATOM 752 O LEU A 55 -13.050 14.514 -6.146 1.00 0.00 O ATOM 753 CB LEU A 55 -9.805 14.424 -5.688 1.00 0.00 C ATOM 754 CG LEU A 55 -8.810 15.586 -5.718 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.445 15.102 -5.225 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.677 16.106 -7.151 1.00 0.00 C ATOM 0 H LEU A 55 -9.797 14.042 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.273 15.887 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.340 13.544 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.095 14.153 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.168 16.387 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.736 15.930 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.538 14.730 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.087 14.301 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.968 16.934 -7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.319 15.304 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.649 16.451 -7.505 1.00 0.00 H new ATOM 768 N ARG A 56 -12.442 12.849 -4.850 1.00 0.00 N ATOM 769 CA ARG A 56 -13.621 12.035 -5.263 1.00 0.00 C ATOM 770 C ARG A 56 -14.918 12.764 -4.904 1.00 0.00 C ATOM 771 O ARG A 56 -15.823 12.872 -5.707 1.00 0.00 O ATOM 772 CB ARG A 56 -13.499 10.732 -4.472 1.00 0.00 C ATOM 773 CG ARG A 56 -14.687 9.824 -4.795 1.00 0.00 C ATOM 774 CD ARG A 56 -15.153 9.119 -3.519 1.00 0.00 C ATOM 775 NE ARG A 56 -16.164 8.126 -3.977 1.00 0.00 N ATOM 776 CZ ARG A 56 -16.761 7.356 -3.109 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.011 7.567 -2.801 1.00 0.00 N ATOM 778 NH2 ARG A 56 -16.108 6.375 -2.550 1.00 0.00 N ATOM 0 H ARG A 56 -11.820 12.402 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.645 11.857 -6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.565 10.229 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.470 10.945 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.503 10.411 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.402 9.088 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.321 8.631 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.586 9.827 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.390 8.048 -4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.522 8.334 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.478 6.965 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.131 6.210 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.575 5.773 -1.871 1.00 0.00 H new ATOM 792 N GLU A 57 -15.015 13.264 -3.703 1.00 0.00 N ATOM 793 CA GLU A 57 -16.255 13.985 -3.293 1.00 0.00 C ATOM 794 C GLU A 57 -16.582 15.089 -4.301 1.00 0.00 C ATOM 795 O GLU A 57 -17.732 15.398 -4.548 1.00 0.00 O ATOM 796 CB GLU A 57 -15.929 14.587 -1.926 1.00 0.00 C ATOM 797 CG GLU A 57 -17.178 15.257 -1.352 1.00 0.00 C ATOM 798 CD GLU A 57 -18.028 14.214 -0.623 1.00 0.00 C ATOM 799 OE1 GLU A 57 -17.616 13.779 0.440 1.00 0.00 O ATOM 800 OE2 GLU A 57 -19.077 13.868 -1.142 1.00 0.00 O ATOM 0 H GLU A 57 -14.290 13.205 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.122 13.326 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.577 13.809 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.124 15.315 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.893 16.054 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.757 15.718 -2.152 1.00 0.00 H new ATOM 807 N LEU A 58 -15.581 15.687 -4.888 1.00 0.00 N ATOM 808 CA LEU A 58 -15.837 16.770 -5.880 1.00 0.00 C ATOM 809 C LEU A 58 -16.312 16.170 -7.206 1.00 0.00 C ATOM 810 O LEU A 58 -17.101 16.759 -7.917 1.00 0.00 O ATOM 811 CB LEU A 58 -14.488 17.468 -6.060 1.00 0.00 C ATOM 812 CG LEU A 58 -14.308 18.521 -4.966 1.00 0.00 C ATOM 813 CD1 LEU A 58 -12.816 18.782 -4.747 1.00 0.00 C ATOM 814 CD2 LEU A 58 -14.995 19.821 -5.391 1.00 0.00 C ATOM 0 H LEU A 58 -14.597 15.473 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.612 17.460 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.680 16.738 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -14.438 17.937 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.753 18.160 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.689 19.533 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.325 17.857 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.370 19.142 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.867 20.572 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.550 20.181 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.058 19.637 -5.546 1.00 0.00 H new ATOM 826 N PHE A 59 -15.839 15.002 -7.543 1.00 0.00 N ATOM 827 CA PHE A 59 -16.264 14.365 -8.823 1.00 0.00 C ATOM 828 C PHE A 59 -17.792 14.267 -8.882 1.00 0.00 C ATOM 829 O PHE A 59 -18.404 14.569 -9.887 1.00 0.00 O ATOM 830 CB PHE A 59 -15.639 12.971 -8.798 1.00 0.00 C ATOM 831 CG PHE A 59 -15.831 12.309 -10.142 1.00 0.00 C ATOM 832 CD1 PHE A 59 -15.035 12.701 -11.243 1.00 0.00 C ATOM 833 CD2 PHE A 59 -16.805 11.298 -10.299 1.00 0.00 C ATOM 834 CE1 PHE A 59 -15.214 12.081 -12.499 1.00 0.00 C ATOM 835 CE2 PHE A 59 -16.984 10.678 -11.556 1.00 0.00 C ATOM 836 CZ PHE A 59 -16.189 11.070 -12.656 1.00 0.00 C ATOM 0 H PHE A 59 -15.176 14.460 -6.988 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.948 14.938 -9.695 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -14.577 13.041 -8.564 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -16.099 12.368 -8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.291 13.474 -11.123 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -17.413 10.999 -9.458 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -14.606 12.379 -13.340 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -17.728 9.905 -11.676 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.326 10.597 -13.617 1.00 0.00 H new ATOM 846 N ILE A 60 -18.410 13.849 -7.812 1.00 0.00 N ATOM 847 CA ILE A 60 -19.897 13.733 -7.808 1.00 0.00 C ATOM 848 C ILE A 60 -20.533 15.109 -8.021 1.00 0.00 C ATOM 849 O ILE A 60 -21.499 15.252 -8.745 1.00 0.00 O ATOM 850 CB ILE A 60 -20.249 13.188 -6.423 1.00 0.00 C ATOM 851 CG1 ILE A 60 -19.654 11.787 -6.263 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.768 13.117 -6.272 1.00 0.00 C ATOM 853 CD1 ILE A 60 -19.753 11.355 -4.799 1.00 0.00 C ATOM 0 H ILE A 60 -17.951 13.583 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.264 13.086 -8.605 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.840 13.848 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -20.186 11.079 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -18.613 11.784 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.018 12.728 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.192 14.114 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.179 12.457 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -19.329 10.357 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.201 12.057 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.799 11.342 -4.493 1.00 0.00 H new ATOM 865 N ALA A 61 -19.999 16.123 -7.397 1.00 0.00 N ATOM 866 CA ALA A 61 -20.572 17.489 -7.567 1.00 0.00 C ATOM 867 C ALA A 61 -20.479 17.924 -9.032 1.00 0.00 C ATOM 868 O ALA A 61 -21.202 18.792 -9.479 1.00 0.00 O ATOM 869 CB ALA A 61 -19.709 18.393 -6.684 1.00 0.00 C ATOM 0 H ALA A 61 -19.191 16.065 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 61 -21.625 17.532 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.068 19.420 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -19.771 18.057 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -18.673 18.347 -7.019 1.00 0.00 H new ATOM 875 N ALA A 62 -19.596 17.325 -9.784 1.00 0.00 N ATOM 876 CA ALA A 62 -19.459 17.705 -11.220 1.00 0.00 C ATOM 877 C ALA A 62 -20.104 16.640 -12.111 1.00 0.00 C ATOM 878 O ALA A 62 -21.006 16.920 -12.876 1.00 0.00 O ATOM 879 CB ALA A 62 -17.952 17.772 -11.469 1.00 0.00 C ATOM 0 H ALA A 62 -18.964 16.590 -9.467 1.00 0.00 H new ATOM 0 HA ALA A 62 -19.952 18.650 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.767 18.047 -12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.507 18.519 -10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -17.506 16.798 -11.266 1.00 0.00 H new ATOM 885 N SER A 63 -19.648 15.421 -12.021 1.00 0.00 N ATOM 886 CA SER A 63 -20.235 14.340 -12.864 1.00 0.00 C ATOM 887 C SER A 63 -21.452 13.726 -12.166 1.00 0.00 C ATOM 888 O SER A 63 -21.355 13.454 -10.981 1.00 0.00 O ATOM 889 CB SER A 63 -19.123 13.304 -13.011 1.00 0.00 C ATOM 890 OG SER A 63 -19.524 12.314 -13.948 1.00 0.00 O ATOM 891 OXT SER A 63 -22.459 13.538 -12.828 1.00 0.00 O ATOM 0 H SER A 63 -18.894 15.126 -11.400 1.00 0.00 H new ATOM 0 HA SER A 63 -20.577 14.710 -13.830 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.204 13.785 -13.344 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.910 12.843 -12.046 1.00 0.00 H new ATOM 0 HG SER A 63 -18.811 11.648 -14.046 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 20.038 -38.779 13.504 1.00 0.00 N ATOM 899 CA LEU B 8 21.491 -38.749 13.838 1.00 0.00 C ATOM 900 C LEU B 8 22.105 -37.415 13.410 1.00 0.00 C ATOM 901 O LEU B 8 22.554 -37.258 12.292 1.00 0.00 O ATOM 902 CB LEU B 8 22.104 -39.902 13.043 1.00 0.00 C ATOM 903 CG LEU B 8 23.385 -40.374 13.732 1.00 0.00 C ATOM 904 CD1 LEU B 8 23.789 -41.742 13.181 1.00 0.00 C ATOM 905 CD2 LEU B 8 24.507 -39.366 13.464 1.00 0.00 C ATOM 0 HA LEU B 8 21.671 -38.851 14.908 1.00 0.00 H new ATOM 0 HB2 LEU B 8 21.393 -40.725 12.970 1.00 0.00 H new ATOM 0 HB3 LEU B 8 22.324 -39.579 12.025 1.00 0.00 H new ATOM 0 HG LEU B 8 23.212 -40.452 14.805 1.00 0.00 H new ATOM 0 HD11 LEU B 8 24.702 -42.077 13.673 1.00 0.00 H new ATOM 0 HD12 LEU B 8 22.991 -42.460 13.369 1.00 0.00 H new ATOM 0 HD13 LEU B 8 23.962 -41.665 12.108 1.00 0.00 H new ATOM 0 HD21 LEU B 8 25.421 -39.700 13.954 1.00 0.00 H new ATOM 0 HD22 LEU B 8 24.678 -39.289 12.390 1.00 0.00 H new ATOM 0 HD23 LEU B 8 24.221 -38.390 13.857 1.00 0.00 H new ATOM 917 N GLU B 9 22.128 -36.451 14.290 1.00 0.00 N ATOM 918 CA GLU B 9 22.713 -35.127 13.932 1.00 0.00 C ATOM 919 C GLU B 9 22.066 -34.591 12.648 1.00 0.00 C ATOM 920 O GLU B 9 22.677 -34.609 11.598 1.00 0.00 O ATOM 921 CB GLU B 9 24.202 -35.399 13.710 1.00 0.00 C ATOM 922 CG GLU B 9 24.998 -34.118 13.968 1.00 0.00 C ATOM 923 CD GLU B 9 26.297 -34.463 14.699 1.00 0.00 C ATOM 924 OE1 GLU B 9 26.780 -35.569 14.518 1.00 0.00 O ATOM 925 OE2 GLU B 9 26.787 -33.616 15.427 1.00 0.00 O ATOM 0 H GLU B 9 21.767 -36.523 15.241 1.00 0.00 H new ATOM 0 HA GLU B 9 22.547 -34.379 14.707 1.00 0.00 H new ATOM 0 HB2 GLU B 9 24.541 -36.191 14.377 1.00 0.00 H new ATOM 0 HB3 GLU B 9 24.371 -35.746 12.691 1.00 0.00 H new ATOM 0 HG2 GLU B 9 25.221 -33.619 13.025 1.00 0.00 H new ATOM 0 HG3 GLU B 9 24.406 -33.423 14.564 1.00 0.00 H new ATOM 932 N PRO B 10 20.846 -34.128 12.773 1.00 0.00 N ATOM 933 CA PRO B 10 20.120 -33.584 11.599 1.00 0.00 C ATOM 934 C PRO B 10 20.693 -32.220 11.201 1.00 0.00 C ATOM 935 O PRO B 10 21.020 -31.986 10.055 1.00 0.00 O ATOM 936 CB PRO B 10 18.684 -33.445 12.097 1.00 0.00 C ATOM 937 CG PRO B 10 18.798 -33.315 13.581 1.00 0.00 C ATOM 938 CD PRO B 10 20.036 -34.067 13.999 1.00 0.00 C ATOM 0 HA PRO B 10 20.200 -34.217 10.715 1.00 0.00 H new ATOM 0 HB2 PRO B 10 18.198 -32.572 11.661 1.00 0.00 H new ATOM 0 HB3 PRO B 10 18.085 -34.314 11.822 1.00 0.00 H new ATOM 0 HG2 PRO B 10 18.868 -32.267 13.871 1.00 0.00 H new ATOM 0 HG3 PRO B 10 17.915 -33.724 14.072 1.00 0.00 H new ATOM 0 HD2 PRO B 10 20.564 -33.552 14.801 1.00 0.00 H new ATOM 0 HD3 PRO B 10 19.792 -35.064 14.367 1.00 0.00 H new ATOM 946 N ASP B 11 20.819 -31.320 12.143 1.00 0.00 N ATOM 947 CA ASP B 11 21.371 -29.963 11.836 1.00 0.00 C ATOM 948 C ASP B 11 20.477 -29.237 10.826 1.00 0.00 C ATOM 949 O ASP B 11 19.682 -28.389 11.182 1.00 0.00 O ATOM 950 CB ASP B 11 22.764 -30.206 11.248 1.00 0.00 C ATOM 951 CG ASP B 11 23.824 -29.625 12.187 1.00 0.00 C ATOM 952 OD1 ASP B 11 23.652 -28.495 12.614 1.00 0.00 O ATOM 953 OD2 ASP B 11 24.788 -30.318 12.461 1.00 0.00 O ATOM 0 H ASP B 11 20.562 -31.467 13.119 1.00 0.00 H new ATOM 0 HA ASP B 11 21.416 -29.335 12.726 1.00 0.00 H new ATOM 0 HB2 ASP B 11 22.931 -31.274 11.111 1.00 0.00 H new ATOM 0 HB3 ASP B 11 22.841 -29.742 10.264 1.00 0.00 H new ATOM 958 N ASN B 12 20.598 -29.561 9.568 1.00 0.00 N ATOM 959 CA ASN B 12 19.756 -28.890 8.538 1.00 0.00 C ATOM 960 C ASN B 12 19.398 -29.877 7.425 1.00 0.00 C ATOM 961 O ASN B 12 19.133 -29.496 6.302 1.00 0.00 O ATOM 962 CB ASN B 12 20.626 -27.757 7.991 1.00 0.00 C ATOM 963 CG ASN B 12 21.947 -28.330 7.475 1.00 0.00 C ATOM 964 OD1 ASN B 12 22.931 -28.354 8.187 1.00 0.00 O ATOM 965 ND2 ASN B 12 22.011 -28.796 6.258 1.00 0.00 N ATOM 0 H ASN B 12 21.245 -30.263 9.208 1.00 0.00 H new ATOM 0 HA ASN B 12 18.817 -28.520 8.949 1.00 0.00 H new ATOM 0 HB2 ASN B 12 20.103 -27.239 7.187 1.00 0.00 H new ATOM 0 HB3 ASN B 12 20.817 -27.022 8.772 1.00 0.00 H new ATOM 0 HD21 ASN B 12 22.887 -29.180 5.905 1.00 0.00 H new ATOM 0 HD22 ASN B 12 21.185 -28.776 5.660 1.00 0.00 H new ATOM 972 N VAL B 13 19.388 -31.146 7.730 1.00 0.00 N ATOM 973 CA VAL B 13 19.049 -32.163 6.694 1.00 0.00 C ATOM 974 C VAL B 13 17.685 -31.833 6.052 1.00 0.00 C ATOM 975 O VAL B 13 17.569 -31.817 4.842 1.00 0.00 O ATOM 976 CB VAL B 13 19.046 -33.504 7.459 1.00 0.00 C ATOM 977 CG1 VAL B 13 18.046 -34.498 6.848 1.00 0.00 C ATOM 978 CG2 VAL B 13 20.448 -34.113 7.398 1.00 0.00 C ATOM 0 H VAL B 13 19.600 -31.523 8.654 1.00 0.00 H new ATOM 0 HA VAL B 13 19.755 -32.192 5.864 1.00 0.00 H new ATOM 0 HB VAL B 13 18.750 -33.309 8.490 1.00 0.00 H new ATOM 0 HG11 VAL B 13 18.070 -35.431 7.411 1.00 0.00 H new ATOM 0 HG12 VAL B 13 17.042 -34.075 6.889 1.00 0.00 H new ATOM 0 HG13 VAL B 13 18.316 -34.694 5.810 1.00 0.00 H new ATOM 0 HG21 VAL B 13 20.457 -35.061 7.936 1.00 0.00 H new ATOM 0 HG22 VAL B 13 20.726 -34.283 6.358 1.00 0.00 H new ATOM 0 HG23 VAL B 13 21.162 -33.429 7.857 1.00 0.00 H new ATOM 988 N PRO B 14 16.696 -31.580 6.876 1.00 0.00 N ATOM 989 CA PRO B 14 15.353 -31.255 6.352 1.00 0.00 C ATOM 990 C PRO B 14 15.296 -29.785 5.922 1.00 0.00 C ATOM 991 O PRO B 14 15.506 -29.461 4.771 1.00 0.00 O ATOM 992 CB PRO B 14 14.431 -31.527 7.537 1.00 0.00 C ATOM 993 CG PRO B 14 15.290 -31.385 8.758 1.00 0.00 C ATOM 994 CD PRO B 14 16.729 -31.572 8.342 1.00 0.00 C ATOM 0 HA PRO B 14 15.076 -31.835 5.472 1.00 0.00 H new ATOM 0 HB2 PRO B 14 13.601 -30.821 7.558 1.00 0.00 H new ATOM 0 HB3 PRO B 14 13.999 -32.526 7.476 1.00 0.00 H new ATOM 0 HG2 PRO B 14 15.149 -30.404 9.211 1.00 0.00 H new ATOM 0 HG3 PRO B 14 15.011 -32.125 9.508 1.00 0.00 H new ATOM 0 HD2 PRO B 14 17.358 -30.766 8.719 1.00 0.00 H new ATOM 0 HD3 PRO B 14 17.136 -32.504 8.734 1.00 0.00 H new ATOM 1002 N MET B 15 15.023 -28.891 6.835 1.00 0.00 N ATOM 1003 CA MET B 15 14.966 -27.451 6.465 1.00 0.00 C ATOM 1004 C MET B 15 14.770 -26.589 7.716 1.00 0.00 C ATOM 1005 O MET B 15 13.663 -26.236 8.070 1.00 0.00 O ATOM 1006 CB MET B 15 13.760 -27.324 5.532 1.00 0.00 C ATOM 1007 CG MET B 15 13.758 -25.937 4.887 1.00 0.00 C ATOM 1008 SD MET B 15 14.559 -26.024 3.266 1.00 0.00 S ATOM 1009 CE MET B 15 13.426 -24.916 2.393 1.00 0.00 C ATOM 0 H MET B 15 14.838 -29.097 7.817 1.00 0.00 H new ATOM 0 HA MET B 15 15.886 -27.113 5.988 1.00 0.00 H new ATOM 0 HB2 MET B 15 13.800 -28.095 4.762 1.00 0.00 H new ATOM 0 HB3 MET B 15 12.837 -27.478 6.091 1.00 0.00 H new ATOM 0 HG2 MET B 15 12.735 -25.575 4.780 1.00 0.00 H new ATOM 0 HG3 MET B 15 14.282 -25.226 5.526 1.00 0.00 H new ATOM 0 HE1 MET B 15 13.738 -24.823 1.353 1.00 0.00 H new ATOM 0 HE2 MET B 15 12.416 -25.323 2.434 1.00 0.00 H new ATOM 0 HE3 MET B 15 13.441 -23.934 2.866 1.00 0.00 H new ATOM 1019 N ASP B 16 15.836 -26.248 8.386 1.00 0.00 N ATOM 1020 CA ASP B 16 15.711 -25.408 9.613 1.00 0.00 C ATOM 1021 C ASP B 16 17.099 -25.059 10.156 1.00 0.00 C ATOM 1022 O ASP B 16 17.509 -25.543 11.193 1.00 0.00 O ATOM 1023 CB ASP B 16 14.947 -26.277 10.613 1.00 0.00 C ATOM 1024 CG ASP B 16 14.823 -25.535 11.945 1.00 0.00 C ATOM 1025 OD1 ASP B 16 14.710 -24.320 11.916 1.00 0.00 O ATOM 1026 OD2 ASP B 16 14.845 -26.194 12.972 1.00 0.00 O ATOM 0 H ASP B 16 16.789 -26.514 8.138 1.00 0.00 H new ATOM 0 HA ASP B 16 15.199 -24.466 9.419 1.00 0.00 H new ATOM 0 HB2 ASP B 16 13.957 -26.514 10.223 1.00 0.00 H new ATOM 0 HB3 ASP B 16 15.467 -27.224 10.759 1.00 0.00 H new ATOM 1031 N MET B 17 17.826 -24.224 9.464 1.00 0.00 N ATOM 1032 CA MET B 17 19.187 -23.850 9.945 1.00 0.00 C ATOM 1033 C MET B 17 19.110 -23.278 11.364 1.00 0.00 C ATOM 1034 O MET B 17 20.001 -23.471 12.168 1.00 0.00 O ATOM 1035 CB MET B 17 19.688 -22.794 8.957 1.00 0.00 C ATOM 1036 CG MET B 17 18.700 -21.627 8.894 1.00 0.00 C ATOM 1037 SD MET B 17 18.639 -20.978 7.205 1.00 0.00 S ATOM 1038 CE MET B 17 17.667 -22.322 6.481 1.00 0.00 C ATOM 0 H MET B 17 17.538 -23.786 8.589 1.00 0.00 H new ATOM 0 HA MET B 17 19.858 -24.708 9.989 1.00 0.00 H new ATOM 0 HB2 MET B 17 20.670 -22.434 9.264 1.00 0.00 H new ATOM 0 HB3 MET B 17 19.805 -23.236 7.968 1.00 0.00 H new ATOM 0 HG2 MET B 17 17.709 -21.959 9.204 1.00 0.00 H new ATOM 0 HG3 MET B 17 19.004 -20.842 9.586 1.00 0.00 H new ATOM 0 HE1 MET B 17 17.311 -22.023 5.495 1.00 0.00 H new ATOM 0 HE2 MET B 17 18.290 -23.212 6.387 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.815 -22.542 7.124 1.00 0.00 H new ATOM 1048 N SER B 18 18.051 -22.581 11.685 1.00 0.00 N ATOM 1049 CA SER B 18 17.926 -22.011 13.059 1.00 0.00 C ATOM 1050 C SER B 18 16.567 -21.313 13.236 1.00 0.00 C ATOM 1051 O SER B 18 15.792 -21.696 14.088 1.00 0.00 O ATOM 1052 CB SER B 18 19.074 -21.010 13.191 1.00 0.00 C ATOM 1053 OG SER B 18 20.121 -21.595 13.955 1.00 0.00 O ATOM 0 H SER B 18 17.271 -22.383 11.058 1.00 0.00 H new ATOM 0 HA SER B 18 17.978 -22.785 13.825 1.00 0.00 H new ATOM 0 HB2 SER B 18 19.442 -20.728 12.204 1.00 0.00 H new ATOM 0 HB3 SER B 18 18.723 -20.097 13.673 1.00 0.00 H new ATOM 0 HG SER B 18 20.293 -22.504 13.632 1.00 0.00 H new ATOM 1059 N PRO B 19 16.315 -20.308 12.429 1.00 0.00 N ATOM 1060 CA PRO B 19 15.032 -19.573 12.526 1.00 0.00 C ATOM 1061 C PRO B 19 13.861 -20.411 12.011 1.00 0.00 C ATOM 1062 O PRO B 19 13.182 -21.068 12.773 1.00 0.00 O ATOM 1063 CB PRO B 19 15.256 -18.334 11.668 1.00 0.00 C ATOM 1064 CG PRO B 19 16.336 -18.703 10.709 1.00 0.00 C ATOM 1065 CD PRO B 19 17.179 -19.766 11.369 1.00 0.00 C ATOM 0 HA PRO B 19 14.769 -19.327 13.555 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.344 -18.051 11.142 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.549 -17.481 12.280 1.00 0.00 H new ATOM 0 HG2 PRO B 19 15.911 -19.074 9.776 1.00 0.00 H new ATOM 0 HG3 PRO B 19 16.942 -17.832 10.459 1.00 0.00 H new ATOM 0 HD2 PRO B 19 17.471 -20.540 10.659 1.00 0.00 H new ATOM 0 HD3 PRO B 19 18.098 -19.347 11.780 1.00 0.00 H new ATOM 1073 N LYS B 20 13.602 -20.373 10.732 1.00 0.00 N ATOM 1074 CA LYS B 20 12.452 -21.144 10.156 1.00 0.00 C ATOM 1075 C LYS B 20 11.142 -20.517 10.635 1.00 0.00 C ATOM 1076 O LYS B 20 10.399 -19.947 9.861 1.00 0.00 O ATOM 1077 CB LYS B 20 12.590 -22.586 10.665 1.00 0.00 C ATOM 1078 CG LYS B 20 11.808 -23.527 9.745 1.00 0.00 C ATOM 1079 CD LYS B 20 10.312 -23.395 10.036 1.00 0.00 C ATOM 1080 CE LYS B 20 9.710 -24.783 10.261 1.00 0.00 C ATOM 1081 NZ LYS B 20 8.301 -24.672 9.790 1.00 0.00 N ATOM 0 H LYS B 20 14.141 -19.837 10.052 1.00 0.00 H new ATOM 0 HA LYS B 20 12.452 -21.128 9.066 1.00 0.00 H new ATOM 0 HB2 LYS B 20 13.641 -22.875 10.691 1.00 0.00 H new ATOM 0 HB3 LYS B 20 12.213 -22.661 11.685 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.010 -23.284 8.702 1.00 0.00 H new ATOM 0 HG3 LYS B 20 12.131 -24.557 9.901 1.00 0.00 H new ATOM 0 HD2 LYS B 20 10.156 -22.772 10.917 1.00 0.00 H new ATOM 0 HD3 LYS B 20 9.811 -22.901 9.204 1.00 0.00 H new ATOM 0 HE2 LYS B 20 10.254 -25.545 9.703 1.00 0.00 H new ATOM 0 HE3 LYS B 20 9.754 -25.067 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 7.821 -25.586 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 7.806 -23.944 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 8.291 -24.408 8.784 1.00 0.00 H new ATOM 1095 N ALA B 21 10.864 -20.590 11.909 1.00 0.00 N ATOM 1096 CA ALA B 21 9.615 -19.965 12.426 1.00 0.00 C ATOM 1097 C ALA B 21 9.621 -18.478 12.064 1.00 0.00 C ATOM 1098 O ALA B 21 8.589 -17.864 11.880 1.00 0.00 O ATOM 1099 CB ALA B 21 9.671 -20.153 13.943 1.00 0.00 C ATOM 0 H ALA B 21 11.444 -21.052 12.609 1.00 0.00 H new ATOM 0 HA ALA B 21 8.711 -20.406 12.006 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.781 -19.717 14.397 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.713 -21.217 14.176 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.559 -19.660 14.338 1.00 0.00 H new ATOM 1105 N LEU B 22 10.789 -17.907 11.938 1.00 0.00 N ATOM 1106 CA LEU B 22 10.895 -16.468 11.562 1.00 0.00 C ATOM 1107 C LEU B 22 10.652 -16.343 10.063 1.00 0.00 C ATOM 1108 O LEU B 22 9.877 -15.528 9.600 1.00 0.00 O ATOM 1109 CB LEU B 22 12.343 -16.067 11.867 1.00 0.00 C ATOM 1110 CG LEU B 22 12.578 -15.927 13.374 1.00 0.00 C ATOM 1111 CD1 LEU B 22 12.382 -17.278 14.063 1.00 0.00 C ATOM 1112 CD2 LEU B 22 14.016 -15.453 13.603 1.00 0.00 C ATOM 0 H LEU B 22 11.681 -18.380 12.081 1.00 0.00 H new ATOM 0 HA LEU B 22 10.179 -15.844 12.097 1.00 0.00 H new ATOM 0 HB2 LEU B 22 13.023 -16.815 11.459 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.573 -15.123 11.372 1.00 0.00 H new ATOM 0 HG LEU B 22 11.869 -15.210 13.788 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.551 -17.168 15.134 1.00 0.00 H new ATOM 0 HD12 LEU B 22 11.365 -17.630 13.891 1.00 0.00 H new ATOM 0 HD13 LEU B 22 13.090 -18.000 13.656 1.00 0.00 H new ATOM 0 HD21 LEU B 22 14.199 -15.348 14.672 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.710 -16.182 13.186 1.00 0.00 H new ATOM 0 HD23 LEU B 22 14.164 -14.490 13.114 1.00 0.00 H new ATOM 1124 N GLN B 23 11.329 -17.161 9.306 1.00 0.00 N ATOM 1125 CA GLN B 23 11.182 -17.136 7.826 1.00 0.00 C ATOM 1126 C GLN B 23 9.703 -17.176 7.432 1.00 0.00 C ATOM 1127 O GLN B 23 9.215 -16.319 6.723 1.00 0.00 O ATOM 1128 CB GLN B 23 11.903 -18.400 7.354 1.00 0.00 C ATOM 1129 CG GLN B 23 12.511 -18.156 5.973 1.00 0.00 C ATOM 1130 CD GLN B 23 13.458 -19.303 5.619 1.00 0.00 C ATOM 1131 OE1 GLN B 23 14.232 -19.744 6.447 1.00 0.00 O ATOM 1132 NE2 GLN B 23 13.430 -19.810 4.417 1.00 0.00 N ATOM 0 H GLN B 23 11.988 -17.856 9.657 1.00 0.00 H new ATOM 0 HA GLN B 23 11.594 -16.231 7.379 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.684 -18.672 8.064 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.204 -19.236 7.313 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.721 -18.079 5.225 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.051 -17.209 5.965 1.00 0.00 H new ATOM 0 HE21 GLN B 23 12.781 -19.440 3.723 1.00 0.00 H new ATOM 0 HE22 GLN B 23 14.057 -20.576 4.172 1.00 0.00 H new ATOM 1141 N GLN B 24 8.988 -18.167 7.887 1.00 0.00 N ATOM 1142 CA GLN B 24 7.541 -18.265 7.538 1.00 0.00 C ATOM 1143 C GLN B 24 6.776 -17.055 8.083 1.00 0.00 C ATOM 1144 O GLN B 24 5.968 -16.461 7.398 1.00 0.00 O ATOM 1145 CB GLN B 24 7.057 -19.552 8.209 1.00 0.00 C ATOM 1146 CG GLN B 24 6.361 -20.437 7.174 1.00 0.00 C ATOM 1147 CD GLN B 24 5.188 -21.166 7.833 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.296 -22.327 8.178 1.00 0.00 O ATOM 1149 NE2 GLN B 24 4.064 -20.532 8.023 1.00 0.00 N ATOM 0 H GLN B 24 9.342 -18.914 8.485 1.00 0.00 H new ATOM 0 HA GLN B 24 7.379 -18.280 6.460 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.900 -20.084 8.650 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.370 -19.315 9.021 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.005 -19.830 6.342 1.00 0.00 H new ATOM 0 HG3 GLN B 24 7.067 -21.159 6.763 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.973 -19.558 7.734 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.276 -21.010 8.461 1.00 0.00 H new ATOM 1158 N LYS B 25 7.024 -16.687 9.311 1.00 0.00 N ATOM 1159 CA LYS B 25 6.307 -15.517 9.897 1.00 0.00 C ATOM 1160 C LYS B 25 6.640 -14.243 9.117 1.00 0.00 C ATOM 1161 O LYS B 25 5.763 -13.528 8.673 1.00 0.00 O ATOM 1162 CB LYS B 25 6.820 -15.415 11.334 1.00 0.00 C ATOM 1163 CG LYS B 25 5.839 -16.115 12.277 1.00 0.00 C ATOM 1164 CD LYS B 25 6.616 -16.844 13.375 1.00 0.00 C ATOM 1165 CE LYS B 25 5.827 -16.786 14.685 1.00 0.00 C ATOM 1166 NZ LYS B 25 4.758 -17.812 14.535 1.00 0.00 N ATOM 0 H LYS B 25 7.691 -17.144 9.933 1.00 0.00 H new ATOM 0 HA LYS B 25 5.224 -15.637 9.858 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.806 -15.873 11.413 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.931 -14.369 11.619 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.161 -15.385 12.720 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.225 -16.823 11.720 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.787 -17.881 13.087 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.596 -16.385 13.508 1.00 0.00 H new ATOM 0 HE2 LYS B 25 6.466 -17.004 15.541 1.00 0.00 H new ATOM 0 HE3 LYS B 25 5.403 -15.795 14.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 3.834 -17.384 14.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.758 -18.174 13.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 4.934 -18.596 15.195 1.00 0.00 H new ATOM 1180 N ILE B 26 7.901 -13.949 8.948 1.00 0.00 N ATOM 1181 CA ILE B 26 8.286 -12.718 8.197 1.00 0.00 C ATOM 1182 C ILE B 26 7.593 -12.693 6.831 1.00 0.00 C ATOM 1183 O ILE B 26 6.975 -11.717 6.458 1.00 0.00 O ATOM 1184 CB ILE B 26 9.804 -12.815 8.030 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.472 -12.750 9.405 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.299 -11.652 7.169 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.896 -13.299 9.307 1.00 0.00 C ATOM 0 H ILE B 26 8.681 -14.507 9.297 1.00 0.00 H new ATOM 0 HA ILE B 26 7.992 -11.807 8.717 1.00 0.00 H new ATOM 0 HB ILE B 26 10.056 -13.758 7.546 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.492 -11.721 9.763 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.897 -13.328 10.128 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.380 -11.722 7.050 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.823 -11.696 6.189 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.047 -10.708 7.653 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.372 -13.253 10.286 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.864 -14.334 8.968 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.468 -12.702 8.597 1.00 0.00 H new ATOM 1199 N HIS B 27 7.692 -13.759 6.086 1.00 0.00 N ATOM 1200 CA HIS B 27 7.038 -13.795 4.746 1.00 0.00 C ATOM 1201 C HIS B 27 5.514 -13.832 4.900 1.00 0.00 C ATOM 1202 O HIS B 27 4.781 -13.510 3.986 1.00 0.00 O ATOM 1203 CB HIS B 27 7.543 -15.082 4.094 1.00 0.00 C ATOM 1204 CG HIS B 27 7.707 -14.864 2.616 1.00 0.00 C ATOM 1205 ND1 HIS B 27 6.677 -14.387 1.820 1.00 0.00 N ATOM 1206 CD2 HIS B 27 8.774 -15.055 1.773 1.00 0.00 C ATOM 1207 CE1 HIS B 27 7.143 -14.306 0.560 1.00 0.00 C ATOM 1208 NE2 HIS B 27 8.416 -14.701 0.476 1.00 0.00 N ATOM 0 H HIS B 27 8.197 -14.606 6.346 1.00 0.00 H new ATOM 0 HA HIS B 27 7.274 -12.915 4.148 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.494 -15.377 4.537 1.00 0.00 H new ATOM 0 HB3 HIS B 27 6.840 -15.895 4.277 1.00 0.00 H new ATOM 0 HD1 HIS B 27 5.737 -14.142 2.132 1.00 0.00 H new ATOM 0 HD2 HIS B 27 9.744 -15.424 2.072 1.00 0.00 H new ATOM 0 HE1 HIS B 27 6.559 -13.963 -0.281 1.00 0.00 H new ATOM 1216 N GLU B 28 5.032 -14.223 6.048 1.00 0.00 N ATOM 1217 CA GLU B 28 3.556 -14.280 6.255 1.00 0.00 C ATOM 1218 C GLU B 28 2.993 -12.872 6.461 1.00 0.00 C ATOM 1219 O GLU B 28 1.928 -12.542 5.979 1.00 0.00 O ATOM 1220 CB GLU B 28 3.366 -15.123 7.517 1.00 0.00 C ATOM 1221 CG GLU B 28 2.983 -16.552 7.126 1.00 0.00 C ATOM 1222 CD GLU B 28 1.620 -16.545 6.429 1.00 0.00 C ATOM 1223 OE1 GLU B 28 0.901 -15.571 6.586 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.319 -17.513 5.752 1.00 0.00 O ATOM 0 H GLU B 28 5.595 -14.505 6.851 1.00 0.00 H new ATOM 0 HA GLU B 28 3.036 -14.706 5.397 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.284 -15.129 8.104 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.589 -14.686 8.145 1.00 0.00 H new ATOM 0 HG2 GLU B 28 3.739 -16.974 6.464 1.00 0.00 H new ATOM 0 HG3 GLU B 28 2.946 -17.185 8.013 1.00 0.00 H new ATOM 1231 N LEU B 29 3.700 -12.038 7.173 1.00 0.00 N ATOM 1232 CA LEU B 29 3.203 -10.652 7.407 1.00 0.00 C ATOM 1233 C LEU B 29 3.464 -9.784 6.173 1.00 0.00 C ATOM 1234 O LEU B 29 2.637 -8.988 5.776 1.00 0.00 O ATOM 1235 CB LEU B 29 4.005 -10.139 8.604 1.00 0.00 C ATOM 1236 CG LEU B 29 3.481 -10.789 9.885 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.582 -10.785 10.947 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.275 -10.000 10.400 1.00 0.00 C ATOM 0 H LEU B 29 4.599 -12.256 7.602 1.00 0.00 H new ATOM 0 HA LEU B 29 2.130 -10.623 7.595 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.062 -10.370 8.473 1.00 0.00 H new ATOM 0 HB3 LEU B 29 3.922 -9.054 8.673 1.00 0.00 H new ATOM 0 HG LEU B 29 3.182 -11.816 9.675 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.208 -11.248 11.860 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.442 -11.346 10.581 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.881 -9.758 11.157 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.901 -10.463 11.313 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.575 -8.973 10.610 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.490 -10.001 9.644 1.00 0.00 H new ATOM 1250 N GLU B 30 4.609 -9.933 5.565 1.00 0.00 N ATOM 1251 CA GLU B 30 4.922 -9.118 4.357 1.00 0.00 C ATOM 1252 C GLU B 30 3.807 -9.262 3.319 1.00 0.00 C ATOM 1253 O GLU B 30 3.389 -8.300 2.704 1.00 0.00 O ATOM 1254 CB GLU B 30 6.233 -9.693 3.819 1.00 0.00 C ATOM 1255 CG GLU B 30 6.905 -8.667 2.906 1.00 0.00 C ATOM 1256 CD GLU B 30 8.101 -9.314 2.203 1.00 0.00 C ATOM 1257 OE1 GLU B 30 7.938 -10.407 1.685 1.00 0.00 O ATOM 1258 OE2 GLU B 30 9.158 -8.705 2.193 1.00 0.00 O ATOM 0 H GLU B 30 5.341 -10.583 5.852 1.00 0.00 H new ATOM 0 HA GLU B 30 5.007 -8.056 4.586 1.00 0.00 H new ATOM 0 HB2 GLU B 30 6.896 -9.949 4.645 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.040 -10.614 3.268 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.192 -8.299 2.168 1.00 0.00 H new ATOM 0 HG3 GLU B 30 7.234 -7.807 3.489 1.00 0.00 H new ATOM 1265 N GLY B 31 3.319 -10.456 3.122 1.00 0.00 N ATOM 1266 CA GLY B 31 2.230 -10.662 2.126 1.00 0.00 C ATOM 1267 C GLY B 31 0.887 -10.263 2.744 1.00 0.00 C ATOM 1268 O GLY B 31 -0.068 -9.984 2.046 1.00 0.00 O ATOM 0 H GLY B 31 3.628 -11.298 3.608 1.00 0.00 H new ATOM 0 HA2 GLY B 31 2.422 -10.067 1.233 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.202 -11.706 1.813 1.00 0.00 H new ATOM 1272 N LEU B 32 0.803 -10.238 4.047 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.482 -9.861 4.703 1.00 0.00 C ATOM 1274 C LEU B 32 -0.940 -8.481 4.224 1.00 0.00 C ATOM 1275 O LEU B 32 -2.034 -8.321 3.721 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.173 -9.834 6.201 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.474 -9.681 6.990 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.421 -10.834 6.648 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.166 -9.705 8.488 1.00 0.00 C ATOM 0 H LEU B 32 1.567 -10.462 4.684 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.284 -10.560 4.465 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.336 -10.752 6.494 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.502 -9.009 6.429 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.946 -8.734 6.728 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.348 -10.723 7.211 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.641 -10.819 5.581 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.949 -11.782 6.908 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.093 -9.596 9.052 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.693 -10.652 8.747 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.493 -8.884 8.734 1.00 0.00 H new ATOM 1291 N MET B 33 -0.114 -7.482 4.374 1.00 0.00 N ATOM 1292 CA MET B 33 -0.514 -6.118 3.921 1.00 0.00 C ATOM 1293 C MET B 33 -0.341 -5.991 2.404 1.00 0.00 C ATOM 1294 O MET B 33 -0.927 -5.133 1.774 1.00 0.00 O ATOM 1295 CB MET B 33 0.420 -5.151 4.655 1.00 0.00 C ATOM 1296 CG MET B 33 1.873 -5.517 4.360 1.00 0.00 C ATOM 1297 SD MET B 33 2.806 -4.023 3.947 1.00 0.00 S ATOM 1298 CE MET B 33 3.889 -4.773 2.705 1.00 0.00 C ATOM 0 H MET B 33 0.816 -7.549 4.788 1.00 0.00 H new ATOM 0 HA MET B 33 -1.561 -5.907 4.140 1.00 0.00 H new ATOM 0 HB2 MET B 33 0.221 -4.127 4.338 1.00 0.00 H new ATOM 0 HB3 MET B 33 0.234 -5.195 5.728 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.318 -6.007 5.226 1.00 0.00 H new ATOM 0 HG3 MET B 33 1.919 -6.226 3.534 1.00 0.00 H new ATOM 0 HE1 MET B 33 4.716 -4.097 2.488 1.00 0.00 H new ATOM 0 HE2 MET B 33 4.281 -5.716 3.086 1.00 0.00 H new ATOM 0 HE3 MET B 33 3.323 -4.958 1.792 1.00 0.00 H new ATOM 1308 N MET B 34 0.453 -6.841 1.811 1.00 0.00 N ATOM 1309 CA MET B 34 0.654 -6.768 0.334 1.00 0.00 C ATOM 1310 C MET B 34 -0.682 -6.955 -0.385 1.00 0.00 C ATOM 1311 O MET B 34 -1.083 -6.138 -1.191 1.00 0.00 O ATOM 1312 CB MET B 34 1.609 -7.914 0.004 1.00 0.00 C ATOM 1313 CG MET B 34 2.539 -7.492 -1.135 1.00 0.00 C ATOM 1314 SD MET B 34 1.571 -7.232 -2.641 1.00 0.00 S ATOM 1315 CE MET B 34 2.590 -5.910 -3.341 1.00 0.00 C ATOM 0 H MET B 34 0.971 -7.582 2.284 1.00 0.00 H new ATOM 0 HA MET B 34 1.055 -5.805 0.017 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.193 -8.180 0.885 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.044 -8.801 -0.283 1.00 0.00 H new ATOM 0 HG2 MET B 34 3.067 -6.577 -0.867 1.00 0.00 H new ATOM 0 HG3 MET B 34 3.295 -8.259 -1.304 1.00 0.00 H new ATOM 0 HE1 MET B 34 2.509 -5.925 -4.428 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.245 -4.947 -2.965 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.630 -6.061 -3.052 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.383 -8.019 -0.097 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.698 -8.242 -0.765 1.00 0.00 C ATOM 1327 C GLN B 35 -3.590 -7.014 -0.564 1.00 0.00 C ATOM 1328 O GLN B 35 -4.479 -6.742 -1.346 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.299 -9.467 -0.075 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.348 -9.235 1.436 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.346 -10.203 2.071 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.605 -11.264 1.536 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -4.923 -9.883 3.196 1.00 0.00 N ATOM 0 H GLN B 35 -1.104 -8.740 0.568 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.600 -8.399 -1.839 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -4.303 -9.655 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.702 -10.351 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -2.358 -9.381 1.869 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -3.639 -8.206 1.647 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.706 -8.993 3.645 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -5.591 -10.522 3.627 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.347 -6.267 0.478 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.168 -5.050 0.732 1.00 0.00 C ATOM 1344 C HIS B 36 -3.674 -3.899 -0.148 1.00 0.00 C ATOM 1345 O HIS B 36 -4.426 -3.319 -0.907 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.956 -4.727 2.210 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.037 -5.381 3.027 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.618 -5.036 4.221 1.00 0.00 N flip ATOM 1349 CD2 HIS B 36 -5.655 -6.555 2.628 1.00 0.00 C flip ATOM 1350 CE1 HIS B 36 -6.584 -5.979 4.562 1.00 0.00 C flip ATOM 1351 NE2 HIS B 36 -6.565 -6.871 3.568 1.00 0.00 N flip ATOM 0 H HIS B 36 -2.615 -6.447 1.165 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.222 -5.203 0.501 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.977 -5.080 2.534 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -3.972 -3.648 2.363 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -5.445 -7.114 1.728 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -7.213 -5.987 5.440 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -7.168 -7.693 3.526 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.409 -3.572 -0.064 1.00 0.00 N ATOM 1360 CA ALA B 37 -1.861 -2.468 -0.908 1.00 0.00 C ATOM 1361 C ALA B 37 -2.274 -2.684 -2.366 1.00 0.00 C ATOM 1362 O ALA B 37 -2.560 -1.751 -3.090 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.342 -2.564 -0.753 1.00 0.00 C ATOM 0 H ALA B 37 -1.733 -4.022 0.553 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.232 -1.487 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.134 -1.783 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.075 -2.438 0.296 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.002 -3.540 -1.099 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.323 -3.917 -2.793 1.00 0.00 N ATOM 1370 CA GLN B 38 -2.738 -4.205 -4.194 1.00 0.00 C ATOM 1371 C GLN B 38 -4.237 -3.938 -4.341 1.00 0.00 C ATOM 1372 O GLN B 38 -4.697 -3.450 -5.355 1.00 0.00 O ATOM 1373 CB GLN B 38 -2.435 -5.690 -4.403 1.00 0.00 C ATOM 1374 CG GLN B 38 -0.945 -5.871 -4.701 1.00 0.00 C ATOM 1375 CD GLN B 38 -0.710 -7.259 -5.302 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -0.997 -7.470 -6.557 1.00 0.00 O flip ATOM 1377 NE2 GLN B 38 -0.262 -8.160 -4.622 1.00 0.00 N flip ATOM 0 H GLN B 38 -2.093 -4.737 -2.231 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.219 -3.584 -4.924 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.710 -6.257 -3.513 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.032 -6.081 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -0.606 -5.101 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.364 -5.756 -3.786 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -0.038 -7.995 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -0.110 -9.081 -5.032 1.00 0.00 H new ATOM 1386 N ASN B 39 -4.998 -4.245 -3.326 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.468 -4.003 -3.388 1.00 0.00 C ATOM 1388 C ASN B 39 -6.796 -2.656 -2.740 1.00 0.00 C ATOM 1389 O ASN B 39 -7.889 -2.436 -2.256 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.094 -5.149 -2.594 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.138 -6.408 -3.462 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -6.112 -6.915 -3.870 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.292 -6.939 -3.762 1.00 0.00 N ATOM 0 H ASN B 39 -4.664 -4.654 -2.454 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.844 -3.970 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.515 -5.338 -1.690 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.101 -4.878 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.332 -7.779 -4.339 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.154 -6.514 -3.420 1.00 0.00 H new ATOM 1400 N LEU B 40 -5.849 -1.757 -2.727 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.083 -0.416 -2.115 1.00 0.00 C ATOM 1402 C LEU B 40 -6.539 -0.556 -0.658 1.00 0.00 C ATOM 1403 O LEU B 40 -7.458 0.106 -0.219 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.180 0.230 -2.965 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.552 0.879 -4.199 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.762 -0.026 -5.414 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.213 2.234 -4.454 1.00 0.00 C ATOM 0 H LEU B 40 -4.917 -1.895 -3.117 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.174 0.186 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.910 -0.521 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.715 0.978 -2.380 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.484 1.021 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.314 0.436 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.292 -0.993 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.830 -0.168 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.766 2.697 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.281 2.092 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.064 2.880 -3.589 1.00 0.00 H new ATOM 1419 N GLU B 41 -5.892 -1.403 0.096 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.276 -1.573 1.527 1.00 0.00 C ATOM 1421 C GLU B 41 -5.040 -1.422 2.422 1.00 0.00 C ATOM 1422 O GLU B 41 -5.034 -1.832 3.565 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.841 -2.989 1.624 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.138 -3.078 0.815 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.335 -2.876 1.745 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.487 -1.776 2.252 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.080 -3.823 1.935 1.00 0.00 O ATOM 0 H GLU B 41 -5.114 -1.984 -0.217 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.000 -0.827 1.853 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.114 -3.709 1.247 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.032 -3.245 2.666 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.142 -2.322 0.030 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.206 -4.048 0.323 1.00 0.00 H new ATOM 1434 N PHE B 42 -3.992 -0.833 1.902 1.00 0.00 N ATOM 1435 CA PHE B 42 -2.742 -0.645 2.695 1.00 0.00 C ATOM 1436 C PHE B 42 -2.985 0.205 3.946 1.00 0.00 C ATOM 1437 O PHE B 42 -2.120 0.307 4.789 1.00 0.00 O ATOM 1438 CB PHE B 42 -1.766 0.071 1.756 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.418 1.306 1.177 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.700 2.414 2.008 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -2.748 1.353 -0.197 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.309 3.566 1.465 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.354 2.504 -0.736 1.00 0.00 C ATOM 1444 CZ PHE B 42 -3.635 3.611 0.094 1.00 0.00 C ATOM 0 H PHE B 42 -3.951 -0.471 0.949 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.358 -1.603 3.045 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -0.862 0.347 2.299 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -1.462 -0.600 0.953 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -2.450 2.379 3.058 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -2.535 0.506 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -3.525 4.413 2.100 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.604 2.540 -1.786 1.00 0.00 H new ATOM 0 HZ PHE B 42 -4.100 4.493 -0.322 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.134 0.815 4.094 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.377 1.640 5.319 1.00 0.00 C ATOM 1456 C GLU B 43 -4.004 0.825 6.560 1.00 0.00 C ATOM 1457 O GLU B 43 -3.034 1.104 7.236 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.874 1.946 5.302 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.257 2.706 6.574 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.710 2.397 6.936 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -8.195 1.357 6.524 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.314 3.207 7.621 1.00 0.00 O ATOM 0 H GLU B 43 -4.907 0.779 3.429 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.783 2.554 5.339 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.124 2.539 4.423 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.444 1.019 5.234 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.598 2.419 7.394 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.129 3.778 6.422 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.755 -0.198 6.839 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.437 -1.062 8.011 1.00 0.00 C ATOM 1471 C GLU B 44 -3.336 -2.062 7.631 1.00 0.00 C ATOM 1472 O GLU B 44 -2.681 -2.633 8.480 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.741 -1.792 8.335 1.00 0.00 C ATOM 1474 CG GLU B 44 -6.198 -2.592 7.113 1.00 0.00 C ATOM 1475 CD GLU B 44 -7.091 -3.748 7.565 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.816 -4.308 8.613 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -8.036 -4.053 6.856 1.00 0.00 O ATOM 0 H GLU B 44 -5.579 -0.477 6.306 1.00 0.00 H new ATOM 0 HA GLU B 44 -4.074 -0.491 8.866 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.595 -2.459 9.185 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.510 -1.074 8.621 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -6.742 -1.946 6.425 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -5.333 -2.976 6.573 1.00 0.00 H new ATOM 1484 N ALA B 45 -3.142 -2.285 6.356 1.00 0.00 N ATOM 1485 CA ALA B 45 -2.103 -3.257 5.905 1.00 0.00 C ATOM 1486 C ALA B 45 -0.697 -2.648 5.994 1.00 0.00 C ATOM 1487 O ALA B 45 0.194 -3.212 6.599 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.467 -3.555 4.449 1.00 0.00 C ATOM 0 H ALA B 45 -3.662 -1.832 5.604 1.00 0.00 H new ATOM 0 HA ALA B 45 -2.084 -4.153 6.526 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.752 -4.265 4.033 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.469 -3.981 4.404 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.439 -2.632 3.871 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.491 -1.511 5.382 1.00 0.00 N ATOM 1495 CA ALA B 46 0.857 -0.859 5.405 1.00 0.00 C ATOM 1496 C ALA B 46 1.459 -0.889 6.813 1.00 0.00 C ATOM 1497 O ALA B 46 2.661 -0.937 6.980 1.00 0.00 O ATOM 1498 CB ALA B 46 0.613 0.584 4.959 1.00 0.00 C ATOM 0 H ALA B 46 -1.204 -1.000 4.862 1.00 0.00 H new ATOM 0 HA ALA B 46 1.563 -1.376 4.756 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.558 1.127 4.951 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.184 0.588 3.957 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.077 1.067 5.651 1.00 0.00 H new ATOM 1504 N GLN B 47 0.639 -0.868 7.828 1.00 0.00 N ATOM 1505 CA GLN B 47 1.182 -0.903 9.215 1.00 0.00 C ATOM 1506 C GLN B 47 2.078 -2.130 9.388 1.00 0.00 C ATOM 1507 O GLN B 47 3.052 -2.103 10.115 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.039 -1.000 10.125 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.952 0.205 9.888 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.754 0.497 11.157 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -2.960 0.639 11.109 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -1.131 0.593 12.300 1.00 0.00 N ATOM 0 H GLN B 47 -0.378 -0.828 7.758 1.00 0.00 H new ATOM 0 HA GLN B 47 1.785 -0.025 9.446 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.581 -1.925 9.926 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.274 -1.032 11.169 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.358 1.076 9.613 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.628 0.004 9.057 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.119 0.474 12.341 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -1.656 0.787 13.152 1.00 0.00 H new ATOM 1521 N ILE B 48 1.761 -3.208 8.719 1.00 0.00 N ATOM 1522 CA ILE B 48 2.599 -4.437 8.836 1.00 0.00 C ATOM 1523 C ILE B 48 4.066 -4.086 8.589 1.00 0.00 C ATOM 1524 O ILE B 48 4.961 -4.661 9.178 1.00 0.00 O ATOM 1525 CB ILE B 48 2.073 -5.376 7.749 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.635 -5.786 8.082 1.00 0.00 C ATOM 1527 CG2 ILE B 48 2.954 -6.624 7.677 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.599 -6.475 9.449 1.00 0.00 C ATOM 0 H ILE B 48 0.957 -3.290 8.096 1.00 0.00 H new ATOM 0 HA ILE B 48 2.543 -4.894 9.824 1.00 0.00 H new ATOM 0 HB ILE B 48 2.093 -4.863 6.787 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -0.011 -4.908 8.089 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.251 -6.458 7.315 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.577 -7.291 6.902 1.00 0.00 H new ATOM 0 HG22 ILE B 48 3.977 -6.334 7.440 1.00 0.00 H new ATOM 0 HG23 ILE B 48 2.936 -7.138 8.638 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.425 -6.765 9.683 1.00 0.00 H new ATOM 0 HD12 ILE B 48 1.232 -7.362 9.426 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.965 -5.788 10.212 1.00 0.00 H new ATOM 1540 N ARG B 49 4.316 -3.129 7.733 1.00 0.00 N ATOM 1541 CA ARG B 49 5.724 -2.714 7.453 1.00 0.00 C ATOM 1542 C ARG B 49 6.467 -2.496 8.779 1.00 0.00 C ATOM 1543 O ARG B 49 7.662 -2.693 8.873 1.00 0.00 O ATOM 1544 CB ARG B 49 5.585 -1.405 6.661 1.00 0.00 C ATOM 1545 CG ARG B 49 6.917 -0.645 6.619 1.00 0.00 C ATOM 1546 CD ARG B 49 6.733 0.741 7.246 1.00 0.00 C ATOM 1547 NE ARG B 49 6.259 0.487 8.636 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.880 1.033 9.646 1.00 0.00 C ATOM 1549 NH1 ARG B 49 6.304 1.985 10.328 1.00 0.00 N ATOM 1550 NH2 ARG B 49 8.076 0.629 9.972 1.00 0.00 N ATOM 0 H ARG B 49 3.604 -2.615 7.214 1.00 0.00 H new ATOM 0 HA ARG B 49 6.294 -3.458 6.897 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.254 -1.623 5.646 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.819 -0.779 7.118 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.683 -1.202 7.159 1.00 0.00 H new ATOM 0 HG3 ARG B 49 7.260 -0.548 5.589 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.669 1.300 7.246 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.009 1.333 6.686 1.00 0.00 H new ATOM 0 HE ARG B 49 5.450 -0.113 8.798 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.369 2.302 10.072 1.00 0.00 H new ATOM 0 HH12 ARG B 49 6.789 2.412 11.117 1.00 0.00 H new ATOM 0 HH21 ARG B 49 8.527 -0.114 9.438 1.00 0.00 H new ATOM 0 HH22 ARG B 49 8.561 1.056 10.761 1.00 0.00 H new ATOM 1564 N ASP B 50 5.760 -2.108 9.804 1.00 0.00 N ATOM 1565 CA ASP B 50 6.419 -1.897 11.122 1.00 0.00 C ATOM 1566 C ASP B 50 6.858 -3.248 11.687 1.00 0.00 C ATOM 1567 O ASP B 50 7.927 -3.383 12.248 1.00 0.00 O ATOM 1568 CB ASP B 50 5.347 -1.261 12.008 1.00 0.00 C ATOM 1569 CG ASP B 50 5.992 -0.736 13.292 1.00 0.00 C ATOM 1570 OD1 ASP B 50 6.322 -1.548 14.140 1.00 0.00 O ATOM 1571 OD2 ASP B 50 6.143 0.469 13.405 1.00 0.00 O ATOM 0 H ASP B 50 4.756 -1.928 9.786 1.00 0.00 H new ATOM 0 HA ASP B 50 7.305 -1.266 11.056 1.00 0.00 H new ATOM 0 HB2 ASP B 50 4.856 -0.446 11.475 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.577 -1.994 12.249 1.00 0.00 H new ATOM 1576 N GLN B 51 6.038 -4.252 11.533 1.00 0.00 N ATOM 1577 CA GLN B 51 6.405 -5.602 12.049 1.00 0.00 C ATOM 1578 C GLN B 51 7.354 -6.290 11.064 1.00 0.00 C ATOM 1579 O GLN B 51 8.198 -7.076 11.443 1.00 0.00 O ATOM 1580 CB GLN B 51 5.082 -6.366 12.144 1.00 0.00 C ATOM 1581 CG GLN B 51 4.080 -5.559 12.974 1.00 0.00 C ATOM 1582 CD GLN B 51 2.731 -6.279 12.988 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.704 -5.674 12.746 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.688 -7.554 13.262 1.00 0.00 N ATOM 0 H GLN B 51 5.130 -4.196 11.072 1.00 0.00 H new ATOM 0 HA GLN B 51 6.914 -5.557 13.012 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.682 -6.545 11.146 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.246 -7.342 12.602 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.450 -5.437 13.992 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.966 -4.559 12.555 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.549 -8.061 13.465 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.793 -8.043 13.273 1.00 0.00 H new ATOM 1593 N LEU B 52 7.219 -5.993 9.799 1.00 0.00 N ATOM 1594 CA LEU B 52 8.110 -6.621 8.781 1.00 0.00 C ATOM 1595 C LEU B 52 9.556 -6.167 8.993 1.00 0.00 C ATOM 1596 O LEU B 52 10.485 -6.942 8.880 1.00 0.00 O ATOM 1597 CB LEU B 52 7.581 -6.122 7.433 1.00 0.00 C ATOM 1598 CG LEU B 52 6.873 -7.263 6.697 1.00 0.00 C ATOM 1599 CD1 LEU B 52 7.879 -8.371 6.386 1.00 0.00 C ATOM 1600 CD2 LEU B 52 5.753 -7.825 7.577 1.00 0.00 C ATOM 0 H LEU B 52 6.529 -5.341 9.426 1.00 0.00 H new ATOM 0 HA LEU B 52 8.108 -7.709 8.843 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.890 -5.293 7.588 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.404 -5.742 6.827 1.00 0.00 H new ATOM 0 HG LEU B 52 6.448 -6.885 5.767 1.00 0.00 H new ATOM 0 HD11 LEU B 52 7.375 -9.183 5.862 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.676 -7.973 5.758 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.304 -8.748 7.316 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.250 -8.637 7.052 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.176 -8.202 8.508 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.034 -7.036 7.799 1.00 0.00 H new ATOM 1612 N HIS B 53 9.755 -4.914 9.300 1.00 0.00 N ATOM 1613 CA HIS B 53 11.141 -4.409 9.519 1.00 0.00 C ATOM 1614 C HIS B 53 11.672 -4.894 10.871 1.00 0.00 C ATOM 1615 O HIS B 53 12.824 -5.253 11.003 1.00 0.00 O ATOM 1616 CB HIS B 53 11.014 -2.886 9.508 1.00 0.00 C ATOM 1617 CG HIS B 53 12.273 -2.282 8.948 1.00 0.00 C ATOM 1618 ND1 HIS B 53 13.486 -2.352 9.614 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.521 -1.592 7.788 1.00 0.00 C ATOM 1620 CE1 HIS B 53 14.402 -1.722 8.857 1.00 0.00 C ATOM 1621 NE2 HIS B 53 13.867 -1.239 7.732 1.00 0.00 N ATOM 0 H HIS B 53 9.018 -4.218 9.409 1.00 0.00 H new ATOM 0 HA HIS B 53 11.836 -4.765 8.758 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.156 -2.586 8.907 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.840 -2.518 10.519 1.00 0.00 H new ATOM 0 HD2 HIS B 53 11.785 -1.358 7.033 1.00 0.00 H new ATOM 0 HE1 HIS B 53 15.443 -1.619 9.126 1.00 0.00 H new ATOM 0 HE2 HIS B 53 14.342 -0.723 6.992 1.00 0.00 H new ATOM 1629 N GLN B 54 10.838 -4.908 11.876 1.00 0.00 N ATOM 1630 CA GLN B 54 11.296 -5.369 13.217 1.00 0.00 C ATOM 1631 C GLN B 54 11.671 -6.852 13.165 1.00 0.00 C ATOM 1632 O GLN B 54 12.747 -7.244 13.573 1.00 0.00 O ATOM 1633 CB GLN B 54 10.096 -5.152 14.141 1.00 0.00 C ATOM 1634 CG GLN B 54 10.499 -5.463 15.583 1.00 0.00 C ATOM 1635 CD GLN B 54 10.067 -4.313 16.494 1.00 0.00 C ATOM 1636 OE1 GLN B 54 8.953 -4.292 16.979 1.00 0.00 O ATOM 1637 NE2 GLN B 54 10.907 -3.348 16.750 1.00 0.00 N ATOM 0 H GLN B 54 9.861 -4.620 11.826 1.00 0.00 H new ATOM 0 HA GLN B 54 12.178 -4.829 13.561 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.746 -4.123 14.064 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.269 -5.794 13.837 1.00 0.00 H new ATOM 0 HG2 GLN B 54 10.034 -6.393 15.909 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.578 -5.606 15.647 1.00 0.00 H new ATOM 0 HE21 GLN B 54 11.842 -3.365 16.343 1.00 0.00 H new ATOM 0 HE22 GLN B 54 10.628 -2.577 17.357 1.00 0.00 H new ATOM 1646 N LEU B 55 10.796 -7.680 12.666 1.00 0.00 N ATOM 1647 CA LEU B 55 11.105 -9.136 12.588 1.00 0.00 C ATOM 1648 C LEU B 55 12.311 -9.371 11.674 1.00 0.00 C ATOM 1649 O LEU B 55 13.088 -10.283 11.877 1.00 0.00 O ATOM 1650 CB LEU B 55 9.850 -9.778 11.996 1.00 0.00 C ATOM 1651 CG LEU B 55 8.876 -10.129 13.121 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.512 -9.501 12.831 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.728 -11.649 13.210 1.00 0.00 C ATOM 0 H LEU B 55 9.879 -7.411 12.308 1.00 0.00 H new ATOM 0 HA LEU B 55 11.356 -9.558 13.561 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.377 -9.094 11.291 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.117 -10.676 11.438 1.00 0.00 H new ATOM 0 HG LEU B 55 9.259 -9.744 14.066 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.818 -9.752 13.633 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.616 -8.418 12.767 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.128 -9.885 11.886 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.034 -11.901 14.012 1.00 0.00 H new ATOM 0 HD22 LEU B 55 8.345 -12.033 12.265 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.700 -12.098 13.417 1.00 0.00 H new ATOM 1665 N ARG B 56 12.473 -8.553 10.670 1.00 0.00 N ATOM 1666 CA ARG B 56 13.630 -8.729 9.744 1.00 0.00 C ATOM 1667 C ARG B 56 14.946 -8.610 10.517 1.00 0.00 C ATOM 1668 O ARG B 56 15.839 -9.420 10.369 1.00 0.00 O ATOM 1669 CB ARG B 56 13.498 -7.593 8.729 1.00 0.00 C ATOM 1670 CG ARG B 56 14.663 -7.655 7.738 1.00 0.00 C ATOM 1671 CD ARG B 56 15.140 -6.236 7.420 1.00 0.00 C ATOM 1672 NE ARG B 56 16.124 -6.400 6.315 1.00 0.00 N ATOM 1673 CZ ARG B 56 16.723 -5.354 5.814 1.00 0.00 C ATOM 1674 NH1 ARG B 56 17.982 -5.135 6.076 1.00 0.00 N ATOM 1675 NH2 ARG B 56 16.062 -4.528 5.050 1.00 0.00 N ATOM 0 H ARG B 56 11.856 -7.771 10.450 1.00 0.00 H new ATOM 0 HA ARG B 56 13.632 -9.707 9.263 1.00 0.00 H new ATOM 0 HB2 ARG B 56 12.550 -7.675 8.197 1.00 0.00 H new ATOM 0 HB3 ARG B 56 13.494 -6.631 9.242 1.00 0.00 H new ATOM 0 HG2 ARG B 56 15.481 -8.239 8.159 1.00 0.00 H new ATOM 0 HG3 ARG B 56 14.350 -8.158 6.823 1.00 0.00 H new ATOM 0 HD2 ARG B 56 14.309 -5.599 7.117 1.00 0.00 H new ATOM 0 HD3 ARG B 56 15.599 -5.769 8.291 1.00 0.00 H new ATOM 0 HE ARG B 56 16.330 -7.330 5.949 1.00 0.00 H new ATOM 0 HH11 ARG B 56 18.499 -5.781 6.673 1.00 0.00 H new ATOM 0 HH12 ARG B 56 18.450 -4.318 5.684 1.00 0.00 H new ATOM 0 HH21 ARG B 56 15.078 -4.700 4.845 1.00 0.00 H new ATOM 0 HH22 ARG B 56 16.530 -3.710 4.658 1.00 0.00 H new ATOM 1689 N GLU B 57 15.074 -7.604 11.339 1.00 0.00 N ATOM 1690 CA GLU B 57 16.333 -7.435 12.120 1.00 0.00 C ATOM 1691 C GLU B 57 16.663 -8.724 12.879 1.00 0.00 C ATOM 1692 O GLU B 57 17.813 -9.062 13.076 1.00 0.00 O ATOM 1693 CB GLU B 57 16.043 -6.296 13.098 1.00 0.00 C ATOM 1694 CG GLU B 57 17.314 -5.954 13.877 1.00 0.00 C ATOM 1695 CD GLU B 57 18.158 -4.967 13.068 1.00 0.00 C ATOM 1696 OE1 GLU B 57 17.757 -3.819 12.967 1.00 0.00 O ATOM 1697 OE2 GLU B 57 19.190 -5.375 12.563 1.00 0.00 O ATOM 0 H GLU B 57 14.362 -6.892 11.504 1.00 0.00 H new ATOM 0 HA GLU B 57 17.188 -7.216 11.481 1.00 0.00 H new ATOM 0 HB2 GLU B 57 15.689 -5.419 12.556 1.00 0.00 H new ATOM 0 HB3 GLU B 57 15.249 -6.587 13.786 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.056 -5.521 14.843 1.00 0.00 H new ATOM 0 HG3 GLU B 57 17.886 -6.860 14.076 1.00 0.00 H new ATOM 1704 N LEU B 58 15.663 -9.444 13.306 1.00 0.00 N ATOM 1705 CA LEU B 58 15.919 -10.710 14.051 1.00 0.00 C ATOM 1706 C LEU B 58 16.361 -11.812 13.084 1.00 0.00 C ATOM 1707 O LEU B 58 17.147 -12.672 13.425 1.00 0.00 O ATOM 1708 CB LEU B 58 14.581 -11.068 14.698 1.00 0.00 C ATOM 1709 CG LEU B 58 14.439 -10.320 16.025 1.00 0.00 C ATOM 1710 CD1 LEU B 58 12.957 -10.169 16.371 1.00 0.00 C ATOM 1711 CD2 LEU B 58 15.142 -11.110 17.131 1.00 0.00 C ATOM 0 H LEU B 58 14.679 -9.211 13.172 1.00 0.00 H new ATOM 0 HA LEU B 58 16.712 -10.600 14.791 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.760 -10.805 14.031 1.00 0.00 H new ATOM 0 HB3 LEU B 58 14.523 -12.143 14.866 1.00 0.00 H new ATOM 0 HG LEU B 58 14.893 -9.333 15.936 1.00 0.00 H new ATOM 0 HD11 LEU B 58 12.857 -9.636 17.317 1.00 0.00 H new ATOM 0 HD12 LEU B 58 12.455 -9.608 15.583 1.00 0.00 H new ATOM 0 HD13 LEU B 58 12.502 -11.155 16.460 1.00 0.00 H new ATOM 0 HD21 LEU B 58 15.042 -10.579 18.077 1.00 0.00 H new ATOM 0 HD22 LEU B 58 14.687 -12.097 17.219 1.00 0.00 H new ATOM 0 HD23 LEU B 58 16.198 -11.218 16.886 1.00 0.00 H new ATOM 1723 N PHE B 59 15.860 -11.792 11.879 1.00 0.00 N ATOM 1724 CA PHE B 59 16.251 -12.839 10.892 1.00 0.00 C ATOM 1725 C PHE B 59 17.774 -12.886 10.747 1.00 0.00 C ATOM 1726 O PHE B 59 18.374 -13.943 10.732 1.00 0.00 O ATOM 1727 CB PHE B 59 15.600 -12.407 9.577 1.00 0.00 C ATOM 1728 CG PHE B 59 15.756 -13.505 8.553 1.00 0.00 C ATOM 1729 CD1 PHE B 59 14.948 -14.661 8.629 1.00 0.00 C ATOM 1730 CD2 PHE B 59 16.709 -13.375 7.518 1.00 0.00 C ATOM 1731 CE1 PHE B 59 15.093 -15.689 7.670 1.00 0.00 C ATOM 1732 CE2 PHE B 59 16.855 -14.403 6.559 1.00 0.00 C ATOM 1733 CZ PHE B 59 16.046 -15.560 6.635 1.00 0.00 C ATOM 0 H PHE B 59 15.197 -11.097 11.535 1.00 0.00 H new ATOM 0 HA PHE B 59 15.930 -13.835 11.197 1.00 0.00 H new ATOM 0 HB2 PHE B 59 14.544 -12.191 9.736 1.00 0.00 H new ATOM 0 HB3 PHE B 59 16.062 -11.489 9.215 1.00 0.00 H new ATOM 0 HD1 PHE B 59 14.219 -14.759 9.420 1.00 0.00 H new ATOM 0 HD2 PHE B 59 17.326 -12.490 7.460 1.00 0.00 H new ATOM 0 HE1 PHE B 59 14.475 -16.573 7.728 1.00 0.00 H new ATOM 0 HE2 PHE B 59 17.584 -14.305 5.768 1.00 0.00 H new ATOM 0 HZ PHE B 59 16.157 -16.345 5.902 1.00 0.00 H new ATOM 1743 N ILE B 60 18.405 -11.749 10.640 1.00 0.00 N ATOM 1744 CA ILE B 60 19.889 -11.729 10.497 1.00 0.00 C ATOM 1745 C ILE B 60 20.546 -12.338 11.739 1.00 0.00 C ATOM 1746 O ILE B 60 21.501 -13.084 11.645 1.00 0.00 O ATOM 1747 CB ILE B 60 20.255 -10.251 10.366 1.00 0.00 C ATOM 1748 CG1 ILE B 60 19.639 -9.686 9.083 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.777 -10.104 10.307 1.00 0.00 C ATOM 1750 CD1 ILE B 60 19.757 -8.160 9.089 1.00 0.00 C ATOM 0 H ILE B 60 17.957 -10.833 10.645 1.00 0.00 H new ATOM 0 HA ILE B 60 20.230 -12.309 9.640 1.00 0.00 H new ATOM 0 HB ILE B 60 19.871 -9.704 11.227 1.00 0.00 H new ATOM 0 HG12 ILE B 60 20.148 -10.097 8.211 1.00 0.00 H new ATOM 0 HG13 ILE B 60 18.592 -9.980 9.009 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.037 -9.050 10.214 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.217 -10.507 11.219 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.162 -10.651 9.446 1.00 0.00 H new ATOM 0 HD11 ILE B 60 19.319 -7.758 8.176 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.228 -7.758 9.953 1.00 0.00 H new ATOM 0 HD13 ILE B 60 20.808 -7.877 9.142 1.00 0.00 H new ATOM 1762 N ALA B 61 20.041 -12.026 12.900 1.00 0.00 N ATOM 1763 CA ALA B 61 20.636 -12.589 14.146 1.00 0.00 C ATOM 1764 C ALA B 61 20.526 -14.116 14.143 1.00 0.00 C ATOM 1765 O ALA B 61 21.256 -14.803 14.829 1.00 0.00 O ATOM 1766 CB ALA B 61 19.807 -11.994 15.285 1.00 0.00 C ATOM 0 H ALA B 61 19.243 -11.406 13.041 1.00 0.00 H new ATOM 0 HA ALA B 61 21.695 -12.348 14.243 1.00 0.00 H new ATOM 0 HB1 ALA B 61 20.184 -12.361 16.240 1.00 0.00 H new ATOM 0 HB2 ALA B 61 19.881 -10.907 15.260 1.00 0.00 H new ATOM 0 HB3 ALA B 61 18.764 -12.289 15.169 1.00 0.00 H new ATOM 1772 N ALA B 62 19.617 -14.653 13.374 1.00 0.00 N ATOM 1773 CA ALA B 62 19.462 -16.135 13.326 1.00 0.00 C ATOM 1774 C ALA B 62 20.072 -16.691 12.036 1.00 0.00 C ATOM 1775 O ALA B 62 20.964 -17.513 12.065 1.00 0.00 O ATOM 1776 CB ALA B 62 17.953 -16.375 13.354 1.00 0.00 C ATOM 0 H ALA B 62 18.976 -14.130 12.778 1.00 0.00 H new ATOM 0 HA ALA B 62 19.969 -16.631 14.154 1.00 0.00 H new ATOM 0 HB1 ALA B 62 17.754 -17.446 13.321 1.00 0.00 H new ATOM 0 HB2 ALA B 62 17.535 -15.956 14.269 1.00 0.00 H new ATOM 0 HB3 ALA B 62 17.492 -15.894 12.491 1.00 0.00 H new ATOM 1782 N SER B 63 19.595 -16.247 10.905 1.00 0.00 N ATOM 1783 CA SER B 63 20.148 -16.750 9.615 1.00 0.00 C ATOM 1784 C SER B 63 21.365 -15.919 9.201 1.00 0.00 C ATOM 1785 O SER B 63 21.285 -14.705 9.284 1.00 0.00 O ATOM 1786 CB SER B 63 19.013 -16.579 8.606 1.00 0.00 C ATOM 1787 OG SER B 63 19.381 -17.195 7.378 1.00 0.00 O ATOM 1788 OXT SER B 63 22.356 -16.511 8.807 1.00 0.00 O ATOM 0 H SER B 63 18.847 -15.559 10.818 1.00 0.00 H new ATOM 0 HA SER B 63 20.481 -17.786 9.683 1.00 0.00 H new ATOM 0 HB2 SER B 63 18.097 -17.028 8.991 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.807 -15.520 8.448 1.00 0.00 H new ATOM 0 HG SER B 63 18.655 -17.089 6.728 1.00 0.00 H new TER 1794 SER B 63