USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ -169:sc= 0.797 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 79:sc= 1.93 USER MOD Set 2.1: A 54 SER OG : rot 108:sc= 0.941 USER MOD Set 2.2: A 71 ASN : amide:sc= 1.17 K(o=2.1,f=-2.3) USER MOD Set 3.1: A 41 ASN : amide:sc= -0.0763 X(o=0.99,f=0.86) USER MOD Set 3.2: A 68 HIS : no HE2:sc= 1.07 K(o=0.99,f=-3.5!) USER MOD Set 4.1: A 12 GLN : amide:sc= 1.93 K(o=2.7,f=-1.2) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.74 K(o=2.7,f=1.3) USER MOD Single : A 3 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0027) USER MOD Single : A 17 HIS : no HE2:sc= 0.815 K(o=0.82,f=-2.7!) USER MOD Single : A 19 GLN : amide:sc= 0.574 K(o=0.57,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.48 K(o=1.5,f=-0.56) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 1.15 (180deg=1.01) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.14) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.257 USER MOD Single : A 48 CYS SG : rot -130:sc= -2.35! USER MOD Single : A 53 GLN : amide:sc= 1.18 K(o=1.2,f=-5.7!) USER MOD Single : A 56 GLN : amide:sc= 0.895 K(o=0.9,f=-5.8!) USER MOD Single : A 64 MET CE :methyl -164:sc= -0.0403 (180deg=-0.566) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00317) USER MOD Single : A 80 MET CE :methyl -146:sc= 0 (180deg=-0.0543) USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= 1.89 (180deg=1.07) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 -0.155 1.396 -3.851 1.00 0.00 N ATOM 14 CA GLU A 2 0.452 2.426 -4.680 1.00 0.00 C ATOM 15 C GLU A 2 0.281 2.046 -6.152 1.00 0.00 C ATOM 16 O GLU A 2 0.239 0.860 -6.495 1.00 0.00 O ATOM 17 CB GLU A 2 1.955 2.574 -4.359 1.00 0.00 C ATOM 18 CG GLU A 2 2.290 2.833 -2.881 1.00 0.00 C ATOM 19 CD GLU A 2 3.802 3.018 -2.669 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.530 2.009 -2.523 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.273 4.176 -2.620 1.00 0.00 O ATOM 0 HA GLU A 2 -0.039 3.377 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.468 1.667 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.358 3.393 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.762 3.723 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.936 1.999 -2.275 1.00 0.00 H new ATOM 28 N HIS A 3 0.261 3.061 -7.014 1.00 0.00 N ATOM 29 CA HIS A 3 0.307 2.959 -8.465 1.00 0.00 C ATOM 30 C HIS A 3 1.320 3.988 -8.972 1.00 0.00 C ATOM 31 O HIS A 3 1.562 5.004 -8.311 1.00 0.00 O ATOM 32 CB HIS A 3 -1.086 3.233 -9.060 1.00 0.00 C ATOM 33 CG HIS A 3 -2.071 2.103 -8.876 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.857 1.856 -7.772 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.352 1.123 -9.792 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.583 0.754 -8.014 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.312 0.264 -9.238 1.00 0.00 N ATOM 0 H HIS A 3 0.209 4.029 -6.697 1.00 0.00 H new ATOM 0 HA HIS A 3 0.606 1.956 -8.769 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.494 4.134 -8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.980 3.438 -10.125 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.883 2.414 -6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.910 1.028 -10.773 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.288 0.319 -7.321 1.00 0.00 H new ATOM 45 N TRP A 4 1.865 3.741 -10.164 1.00 0.00 N ATOM 46 CA TRP A 4 2.755 4.643 -10.878 1.00 0.00 C ATOM 47 C TRP A 4 2.100 4.936 -12.221 1.00 0.00 C ATOM 48 O TRP A 4 1.600 4.013 -12.873 1.00 0.00 O ATOM 49 CB TRP A 4 4.127 3.991 -11.106 1.00 0.00 C ATOM 50 CG TRP A 4 5.014 3.831 -9.909 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.988 2.800 -9.034 1.00 0.00 C ATOM 52 CD2 TRP A 4 6.113 4.689 -9.472 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.992 2.954 -8.099 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.735 4.091 -8.334 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.658 5.908 -9.933 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.850 4.663 -7.701 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.770 6.494 -9.299 1.00 0.00 C ATOM 58 CH2 TRP A 4 8.374 5.870 -8.193 1.00 0.00 C ATOM 0 H TRP A 4 1.689 2.875 -10.673 1.00 0.00 H new ATOM 0 HA TRP A 4 2.914 5.554 -10.301 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.965 3.005 -11.541 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.663 4.582 -11.848 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.287 1.979 -9.062 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.163 2.307 -7.330 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.214 6.399 -10.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.300 4.181 -6.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.163 7.431 -9.665 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.238 6.317 -7.723 1.00 0.00 H new ATOM 69 N ILE A 5 2.127 6.192 -12.657 1.00 0.00 N ATOM 70 CA ILE A 5 1.489 6.622 -13.890 1.00 0.00 C ATOM 71 C ILE A 5 2.498 7.489 -14.647 1.00 0.00 C ATOM 72 O ILE A 5 3.043 8.455 -14.108 1.00 0.00 O ATOM 73 CB ILE A 5 0.179 7.400 -13.607 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.727 6.870 -12.466 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.636 7.511 -14.901 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.459 5.545 -12.725 1.00 0.00 C ATOM 0 H ILE A 5 2.598 6.945 -12.156 1.00 0.00 H new ATOM 0 HA ILE A 5 1.206 5.757 -14.490 1.00 0.00 H new ATOM 0 HB ILE A 5 0.519 8.369 -13.242 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.114 6.751 -11.572 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.473 7.633 -12.242 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.558 8.058 -14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.053 8.041 -15.654 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.877 6.513 -15.266 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.058 5.284 -11.853 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.109 5.652 -13.593 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.730 4.757 -12.913 1.00 0.00 H new ATOM 88 N ASP A 6 2.750 7.122 -15.897 1.00 0.00 N ATOM 89 CA ASP A 6 3.463 7.932 -16.869 1.00 0.00 C ATOM 90 C ASP A 6 2.418 8.867 -17.460 1.00 0.00 C ATOM 91 O ASP A 6 1.536 8.404 -18.188 1.00 0.00 O ATOM 92 CB ASP A 6 4.029 7.031 -17.972 1.00 0.00 C ATOM 93 CG ASP A 6 4.397 7.815 -19.240 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.780 9.003 -19.154 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.296 7.218 -20.332 1.00 0.00 O ATOM 0 H ASP A 6 2.452 6.221 -16.272 1.00 0.00 H new ATOM 0 HA ASP A 6 4.293 8.477 -16.419 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.914 6.516 -17.598 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.296 6.264 -18.223 1.00 0.00 H new ATOM 100 N VAL A 7 2.475 10.158 -17.136 1.00 0.00 N ATOM 101 CA VAL A 7 1.449 11.108 -17.567 1.00 0.00 C ATOM 102 C VAL A 7 1.917 11.954 -18.757 1.00 0.00 C ATOM 103 O VAL A 7 1.355 13.020 -19.017 1.00 0.00 O ATOM 104 CB VAL A 7 0.811 11.863 -16.375 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.200 10.883 -15.361 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.769 12.781 -15.614 1.00 0.00 C ATOM 0 H VAL A 7 3.221 10.571 -16.576 1.00 0.00 H new ATOM 0 HA VAL A 7 0.604 10.554 -17.976 1.00 0.00 H new ATOM 0 HB VAL A 7 0.047 12.489 -16.837 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.241 11.442 -14.535 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.572 10.288 -15.849 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.979 10.223 -14.978 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.235 13.267 -14.797 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.593 12.193 -15.210 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.163 13.538 -16.292 1.00 0.00 H new ATOM 116 N ARG A 8 2.901 11.470 -19.528 1.00 0.00 N ATOM 117 CA ARG A 8 3.348 12.121 -20.757 1.00 0.00 C ATOM 118 C ARG A 8 2.944 11.295 -21.976 1.00 0.00 C ATOM 119 O ARG A 8 2.241 10.289 -21.862 1.00 0.00 O ATOM 120 CB ARG A 8 4.867 12.390 -20.715 1.00 0.00 C ATOM 121 CG ARG A 8 5.151 13.811 -21.231 1.00 0.00 C ATOM 122 CD ARG A 8 6.620 14.017 -21.592 1.00 0.00 C ATOM 123 NE ARG A 8 6.881 15.443 -21.835 1.00 0.00 N ATOM 124 CZ ARG A 8 7.789 15.997 -22.643 1.00 0.00 C ATOM 125 NH1 ARG A 8 8.636 15.254 -23.351 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.822 17.322 -22.716 1.00 0.00 N ATOM 0 H ARG A 8 3.408 10.612 -19.311 1.00 0.00 H new ATOM 0 HA ARG A 8 2.855 13.089 -20.841 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.238 12.281 -19.696 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.394 11.658 -21.327 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.534 14.006 -22.108 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.862 14.535 -20.470 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.256 13.655 -20.784 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.870 13.436 -22.480 1.00 0.00 H new ATOM 0 HE ARG A 8 6.291 16.095 -21.319 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.601 14.237 -23.284 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.320 15.702 -23.961 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.168 17.879 -22.166 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.501 17.783 -23.322 1.00 0.00 H new ATOM 140 N VAL A 9 3.349 11.755 -23.157 1.00 0.00 N ATOM 141 CA VAL A 9 3.045 11.093 -24.418 1.00 0.00 C ATOM 142 C VAL A 9 3.769 9.735 -24.500 1.00 0.00 C ATOM 143 O VAL A 9 4.860 9.592 -23.936 1.00 0.00 O ATOM 144 CB VAL A 9 3.411 12.019 -25.600 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.407 13.176 -25.705 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.834 12.602 -25.509 1.00 0.00 C ATOM 0 H VAL A 9 3.902 12.605 -23.264 1.00 0.00 H new ATOM 0 HA VAL A 9 1.975 10.891 -24.474 1.00 0.00 H new ATOM 0 HB VAL A 9 3.372 11.391 -26.490 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.679 13.819 -26.542 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.406 12.776 -25.865 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.422 13.756 -24.782 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.021 13.242 -26.372 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.929 13.188 -24.595 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.560 11.789 -25.496 1.00 0.00 H new ATOM 156 N PRO A 10 3.228 8.760 -25.257 1.00 0.00 N ATOM 157 CA PRO A 10 3.898 7.495 -25.557 1.00 0.00 C ATOM 158 C PRO A 10 5.301 7.631 -26.165 1.00 0.00 C ATOM 159 O PRO A 10 6.053 6.659 -26.159 1.00 0.00 O ATOM 160 CB PRO A 10 2.977 6.749 -26.527 1.00 0.00 C ATOM 161 CG PRO A 10 1.596 7.309 -26.212 1.00 0.00 C ATOM 162 CD PRO A 10 1.889 8.760 -25.838 1.00 0.00 C ATOM 0 HA PRO A 10 4.064 6.964 -24.619 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.256 6.931 -27.565 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.018 5.671 -26.370 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.928 7.241 -27.070 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.119 6.770 -25.393 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.843 9.406 -26.715 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.154 9.136 -25.126 1.00 0.00 H new ATOM 170 N GLU A 11 5.670 8.802 -26.696 1.00 0.00 N ATOM 171 CA GLU A 11 6.974 9.029 -27.305 1.00 0.00 C ATOM 172 C GLU A 11 8.114 8.727 -26.321 1.00 0.00 C ATOM 173 O GLU A 11 9.113 8.138 -26.738 1.00 0.00 O ATOM 174 CB GLU A 11 7.040 10.467 -27.847 1.00 0.00 C ATOM 175 CG GLU A 11 8.271 10.702 -28.731 1.00 0.00 C ATOM 176 CD GLU A 11 8.262 12.111 -29.351 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.719 12.290 -30.465 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.820 13.054 -28.744 1.00 0.00 O ATOM 0 H GLU A 11 5.063 9.622 -26.712 1.00 0.00 H new ATOM 0 HA GLU A 11 7.104 8.340 -28.140 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.138 10.678 -28.421 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.057 11.167 -27.012 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.176 10.570 -28.138 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.298 9.955 -29.524 1.00 0.00 H new ATOM 185 N GLN A 12 7.970 9.061 -25.025 1.00 0.00 N ATOM 186 CA GLN A 12 8.968 8.622 -24.049 1.00 0.00 C ATOM 187 C GLN A 12 8.806 7.126 -23.772 1.00 0.00 C ATOM 188 O GLN A 12 9.794 6.399 -23.812 1.00 0.00 O ATOM 189 CB GLN A 12 9.021 9.471 -22.762 1.00 0.00 C ATOM 190 CG GLN A 12 7.827 9.454 -21.781 1.00 0.00 C ATOM 191 CD GLN A 12 8.229 9.959 -20.385 1.00 0.00 C ATOM 192 OE1 GLN A 12 9.279 10.570 -20.201 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.440 9.698 -19.355 1.00 0.00 N ATOM 0 H GLN A 12 7.201 9.613 -24.645 1.00 0.00 H new ATOM 0 HA GLN A 12 9.946 8.787 -24.501 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.905 9.161 -22.204 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.181 10.507 -23.062 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.023 10.076 -22.175 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.436 8.440 -21.702 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.566 9.191 -19.497 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.706 10.003 -18.419 1.00 0.00 H new ATOM 202 N TYR A 13 7.567 6.662 -23.572 1.00 0.00 N ATOM 203 CA TYR A 13 7.249 5.294 -23.167 1.00 0.00 C ATOM 204 C TYR A 13 7.903 4.263 -24.092 1.00 0.00 C ATOM 205 O TYR A 13 8.424 3.250 -23.624 1.00 0.00 O ATOM 206 CB TYR A 13 5.720 5.137 -23.138 1.00 0.00 C ATOM 207 CG TYR A 13 5.177 3.865 -22.513 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.007 2.707 -23.296 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.761 3.863 -21.168 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.424 1.554 -22.742 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.174 2.716 -20.607 1.00 0.00 C ATOM 212 CZ TYR A 13 3.999 1.554 -21.392 1.00 0.00 C ATOM 213 OH TYR A 13 3.405 0.455 -20.846 1.00 0.00 O ATOM 0 H TYR A 13 6.739 7.245 -23.691 1.00 0.00 H new ATOM 0 HA TYR A 13 7.653 5.109 -22.172 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.301 5.987 -22.599 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.352 5.197 -24.162 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.326 2.705 -24.328 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.894 4.748 -20.564 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.300 0.668 -23.347 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.856 2.723 -19.575 1.00 0.00 H new ATOM 0 HH TYR A 13 3.181 0.636 -19.909 1.00 0.00 H new ATOM 223 N GLN A 14 7.911 4.555 -25.397 1.00 0.00 N ATOM 224 CA GLN A 14 8.534 3.739 -26.425 1.00 0.00 C ATOM 225 C GLN A 14 10.008 3.474 -26.110 1.00 0.00 C ATOM 226 O GLN A 14 10.405 2.308 -26.062 1.00 0.00 O ATOM 227 CB GLN A 14 8.357 4.433 -27.786 1.00 0.00 C ATOM 228 CG GLN A 14 6.912 4.357 -28.315 1.00 0.00 C ATOM 229 CD GLN A 14 6.714 3.206 -29.305 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.773 3.399 -30.517 1.00 0.00 O ATOM 231 NE2 GLN A 14 6.485 1.990 -28.839 1.00 0.00 N ATOM 0 H GLN A 14 7.468 5.394 -25.771 1.00 0.00 H new ATOM 0 HA GLN A 14 8.047 2.764 -26.458 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.651 5.479 -27.696 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.029 3.975 -28.512 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.227 4.234 -27.476 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.655 5.299 -28.800 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.436 1.830 -27.833 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.357 1.212 -29.486 1.00 0.00 H new ATOM 240 N GLN A 15 10.811 4.524 -25.885 1.00 0.00 N ATOM 241 CA GLN A 15 12.237 4.359 -25.617 1.00 0.00 C ATOM 242 C GLN A 15 12.445 3.753 -24.225 1.00 0.00 C ATOM 243 O GLN A 15 13.152 2.751 -24.115 1.00 0.00 O ATOM 244 CB GLN A 15 13.038 5.654 -25.858 1.00 0.00 C ATOM 245 CG GLN A 15 12.495 6.929 -25.198 1.00 0.00 C ATOM 246 CD GLN A 15 13.464 8.101 -25.348 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.605 8.686 -26.421 1.00 0.00 O ATOM 248 NE2 GLN A 15 14.154 8.471 -24.284 1.00 0.00 N ATOM 0 H GLN A 15 10.493 5.493 -25.884 1.00 0.00 H new ATOM 0 HA GLN A 15 12.645 3.651 -26.339 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.057 5.495 -25.506 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.095 5.824 -26.933 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.536 7.190 -25.646 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.312 6.741 -24.140 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.030 7.979 -23.399 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.811 9.248 -24.347 1.00 0.00 H new ATOM 257 N GLU A 16 11.800 4.290 -23.182 1.00 0.00 N ATOM 258 CA GLU A 16 11.711 3.650 -21.876 1.00 0.00 C ATOM 259 C GLU A 16 10.588 4.273 -21.046 1.00 0.00 C ATOM 260 O GLU A 16 10.282 5.460 -21.169 1.00 0.00 O ATOM 261 CB GLU A 16 13.040 3.632 -21.087 1.00 0.00 C ATOM 262 CG GLU A 16 13.590 4.986 -20.613 1.00 0.00 C ATOM 263 CD GLU A 16 14.233 5.824 -21.736 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.211 5.362 -22.367 1.00 0.00 O ATOM 265 OE2 GLU A 16 13.814 6.984 -21.949 1.00 0.00 O ATOM 0 H GLU A 16 11.322 5.190 -23.228 1.00 0.00 H new ATOM 0 HA GLU A 16 11.477 2.604 -22.073 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.905 2.996 -20.212 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.798 3.159 -21.711 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.780 5.559 -20.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.330 4.814 -19.832 1.00 0.00 H new ATOM 272 N HIS A 17 10.027 3.482 -20.137 1.00 0.00 N ATOM 273 CA HIS A 17 9.104 3.930 -19.114 1.00 0.00 C ATOM 274 C HIS A 17 9.513 3.313 -17.785 1.00 0.00 C ATOM 275 O HIS A 17 10.195 2.284 -17.744 1.00 0.00 O ATOM 276 CB HIS A 17 7.660 3.561 -19.478 1.00 0.00 C ATOM 277 CG HIS A 17 7.378 2.081 -19.585 1.00 0.00 C ATOM 278 ND1 HIS A 17 6.935 1.263 -18.570 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.431 1.318 -20.722 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.718 0.042 -19.086 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.012 0.020 -20.399 1.00 0.00 N ATOM 0 H HIS A 17 10.212 2.480 -20.096 1.00 0.00 H new ATOM 0 HA HIS A 17 9.144 5.016 -19.035 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.994 3.988 -18.728 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.411 4.031 -20.430 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.796 1.536 -17.597 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.742 1.658 -21.699 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.357 -0.806 -18.524 1.00 0.00 H new ATOM 289 N VAL A 18 9.076 3.947 -16.701 1.00 0.00 N ATOM 290 CA VAL A 18 9.172 3.417 -15.352 1.00 0.00 C ATOM 291 C VAL A 18 8.448 2.067 -15.338 1.00 0.00 C ATOM 292 O VAL A 18 7.324 1.953 -15.840 1.00 0.00 O ATOM 293 CB VAL A 18 8.582 4.477 -14.397 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.263 3.932 -12.998 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.568 5.649 -14.263 1.00 0.00 C ATOM 0 H VAL A 18 8.635 4.866 -16.741 1.00 0.00 H new ATOM 0 HA VAL A 18 10.192 3.228 -15.018 1.00 0.00 H new ATOM 0 HB VAL A 18 7.638 4.800 -14.837 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.852 4.731 -12.381 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.535 3.125 -13.079 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.176 3.552 -12.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.153 6.398 -13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.514 5.285 -13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.737 6.096 -15.243 1.00 0.00 H new ATOM 305 N GLN A 19 9.106 1.039 -14.799 1.00 0.00 N ATOM 306 CA GLN A 19 8.612 -0.330 -14.768 1.00 0.00 C ATOM 307 C GLN A 19 7.198 -0.366 -14.182 1.00 0.00 C ATOM 308 O GLN A 19 6.994 0.006 -13.025 1.00 0.00 O ATOM 309 CB GLN A 19 9.609 -1.187 -13.969 1.00 0.00 C ATOM 310 CG GLN A 19 9.176 -2.651 -13.754 1.00 0.00 C ATOM 311 CD GLN A 19 8.897 -2.992 -12.284 1.00 0.00 C ATOM 312 OE1 GLN A 19 9.481 -3.921 -11.730 1.00 0.00 O ATOM 313 NE2 GLN A 19 8.014 -2.268 -11.610 1.00 0.00 N ATOM 0 H GLN A 19 10.021 1.143 -14.361 1.00 0.00 H new ATOM 0 HA GLN A 19 8.539 -0.741 -15.775 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.569 -1.179 -14.485 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.767 -0.723 -12.995 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.279 -2.847 -14.342 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.956 -3.312 -14.131 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.529 -1.497 -12.070 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.819 -2.482 -10.632 1.00 0.00 H new ATOM 322 N GLY A 20 6.235 -0.853 -14.967 1.00 0.00 N ATOM 323 CA GLY A 20 4.859 -1.061 -14.532 1.00 0.00 C ATOM 324 C GLY A 20 4.017 0.217 -14.494 1.00 0.00 C ATOM 325 O GLY A 20 2.827 0.129 -14.185 1.00 0.00 O ATOM 0 H GLY A 20 6.396 -1.117 -15.939 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.382 -1.778 -15.200 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.867 -1.508 -13.538 1.00 0.00 H new ATOM 329 N ALA A 21 4.585 1.393 -14.796 1.00 0.00 N ATOM 330 CA ALA A 21 3.813 2.628 -14.858 1.00 0.00 C ATOM 331 C ALA A 21 2.810 2.555 -16.013 1.00 0.00 C ATOM 332 O ALA A 21 3.174 2.160 -17.124 1.00 0.00 O ATOM 333 CB ALA A 21 4.733 3.841 -15.017 1.00 0.00 C ATOM 0 H ALA A 21 5.578 1.508 -15.000 1.00 0.00 H new ATOM 0 HA ALA A 21 3.267 2.746 -13.922 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.133 4.750 -15.061 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.413 3.896 -14.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.309 3.742 -15.937 1.00 0.00 H new ATOM 339 N ILE A 22 1.561 2.951 -15.765 1.00 0.00 N ATOM 340 CA ILE A 22 0.516 2.984 -16.789 1.00 0.00 C ATOM 341 C ILE A 22 0.724 4.272 -17.596 1.00 0.00 C ATOM 342 O ILE A 22 0.848 5.337 -16.991 1.00 0.00 O ATOM 343 CB ILE A 22 -0.895 2.939 -16.143 1.00 0.00 C ATOM 344 CG1 ILE A 22 -1.018 1.860 -15.036 1.00 0.00 C ATOM 345 CG2 ILE A 22 -1.946 2.695 -17.245 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.377 1.837 -14.324 1.00 0.00 C ATOM 0 H ILE A 22 1.245 3.259 -14.845 1.00 0.00 H new ATOM 0 HA ILE A 22 0.581 2.113 -17.441 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.067 3.900 -15.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.836 0.880 -15.478 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.236 2.026 -14.295 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.940 2.662 -16.799 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.902 3.503 -17.975 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.739 1.747 -17.741 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.377 1.054 -13.566 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.555 2.802 -13.849 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.165 1.639 -15.050 1.00 0.00 H new ATOM 358 N ASN A 23 0.748 4.217 -18.933 1.00 0.00 N ATOM 359 CA ASN A 23 0.736 5.434 -19.749 1.00 0.00 C ATOM 360 C ASN A 23 -0.673 6.025 -19.741 1.00 0.00 C ATOM 361 O ASN A 23 -1.597 5.408 -20.277 1.00 0.00 O ATOM 362 CB ASN A 23 1.193 5.175 -21.192 1.00 0.00 C ATOM 363 CG ASN A 23 1.070 6.461 -22.007 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.148 6.620 -22.799 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.961 7.414 -21.799 1.00 0.00 N ATOM 0 H ASN A 23 0.776 3.349 -19.468 1.00 0.00 H new ATOM 0 HA ASN A 23 1.445 6.139 -19.315 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.225 4.825 -21.200 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.586 4.389 -21.641 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.888 8.299 -22.301 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.722 7.265 -21.136 1.00 0.00 H new ATOM 372 N ILE A 24 -0.839 7.207 -19.147 1.00 0.00 N ATOM 373 CA ILE A 24 -2.101 7.943 -19.080 1.00 0.00 C ATOM 374 C ILE A 24 -1.773 9.437 -19.273 1.00 0.00 C ATOM 375 O ILE A 24 -1.619 10.152 -18.282 1.00 0.00 O ATOM 376 CB ILE A 24 -2.872 7.673 -17.761 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.974 6.177 -17.388 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.278 8.275 -17.904 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.794 5.901 -16.123 1.00 0.00 C ATOM 0 H ILE A 24 -0.072 7.695 -18.684 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.773 7.604 -19.869 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.312 8.138 -16.950 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.420 5.635 -18.222 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.969 5.779 -17.250 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.844 8.100 -16.989 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.198 9.348 -18.081 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.791 7.806 -18.743 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.817 4.828 -15.931 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.338 6.412 -15.275 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.812 6.266 -16.262 1.00 0.00 H new ATOM 391 N PRO A 25 -1.598 9.914 -20.520 1.00 0.00 N ATOM 392 CA PRO A 25 -1.148 11.271 -20.811 1.00 0.00 C ATOM 393 C PRO A 25 -1.978 12.352 -20.112 1.00 0.00 C ATOM 394 O PRO A 25 -3.182 12.190 -19.900 1.00 0.00 O ATOM 395 CB PRO A 25 -1.218 11.417 -22.336 1.00 0.00 C ATOM 396 CG PRO A 25 -1.087 9.981 -22.836 1.00 0.00 C ATOM 397 CD PRO A 25 -1.818 9.188 -21.759 1.00 0.00 C ATOM 0 HA PRO A 25 -0.138 11.417 -20.429 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.158 11.869 -22.654 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.416 12.049 -22.716 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.544 9.850 -23.817 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.044 9.677 -22.927 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.882 9.110 -21.984 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.431 8.171 -21.691 1.00 0.00 H new ATOM 405 N LEU A 26 -1.347 13.497 -19.839 1.00 0.00 N ATOM 406 CA LEU A 26 -1.927 14.670 -19.179 1.00 0.00 C ATOM 407 C LEU A 26 -3.286 15.083 -19.763 1.00 0.00 C ATOM 408 O LEU A 26 -4.179 15.484 -19.019 1.00 0.00 O ATOM 409 CB LEU A 26 -0.903 15.819 -19.292 1.00 0.00 C ATOM 410 CG LEU A 26 -1.316 17.141 -18.614 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.388 16.994 -17.093 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.296 18.233 -18.956 1.00 0.00 C ATOM 0 H LEU A 26 -0.367 13.638 -20.085 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.128 14.424 -18.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.040 15.487 -18.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.717 16.015 -20.348 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.305 17.410 -18.984 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.682 17.945 -16.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.123 16.231 -16.836 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.411 16.701 -16.709 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.589 19.167 -18.477 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.690 17.935 -18.599 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.263 18.375 -20.036 1.00 0.00 H new ATOM 424 N LYS A 27 -3.460 14.966 -21.085 1.00 0.00 N ATOM 425 CA LYS A 27 -4.697 15.333 -21.778 1.00 0.00 C ATOM 426 C LYS A 27 -5.873 14.401 -21.453 1.00 0.00 C ATOM 427 O LYS A 27 -7.012 14.759 -21.752 1.00 0.00 O ATOM 428 CB LYS A 27 -4.445 15.362 -23.297 1.00 0.00 C ATOM 429 CG LYS A 27 -3.462 16.456 -23.758 1.00 0.00 C ATOM 430 CD LYS A 27 -4.014 17.878 -23.552 1.00 0.00 C ATOM 431 CE LYS A 27 -3.194 18.947 -24.293 1.00 0.00 C ATOM 432 NZ LYS A 27 -1.821 19.119 -23.752 1.00 0.00 N ATOM 0 H LYS A 27 -2.736 14.610 -21.709 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.983 16.323 -21.422 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.061 14.391 -23.608 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.397 15.507 -23.808 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.526 16.351 -23.210 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.231 16.310 -24.813 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.047 17.915 -23.897 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.025 18.108 -22.487 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.130 18.679 -25.347 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.720 19.900 -24.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.323 19.853 -24.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.875 19.404 -22.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.303 18.221 -23.828 1.00 0.00 H new ATOM 446 N GLU A 28 -5.632 13.230 -20.857 1.00 0.00 N ATOM 447 CA GLU A 28 -6.643 12.194 -20.633 1.00 0.00 C ATOM 448 C GLU A 28 -6.724 11.786 -19.158 1.00 0.00 C ATOM 449 O GLU A 28 -7.739 11.230 -18.731 1.00 0.00 O ATOM 450 CB GLU A 28 -6.315 10.953 -21.475 1.00 0.00 C ATOM 451 CG GLU A 28 -6.107 11.213 -22.974 1.00 0.00 C ATOM 452 CD GLU A 28 -5.962 9.901 -23.770 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.362 8.929 -23.257 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.446 9.841 -24.925 1.00 0.00 O ATOM 0 H GLU A 28 -4.709 12.971 -20.509 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.606 12.610 -20.928 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.413 10.491 -21.075 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.123 10.230 -21.357 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.950 11.783 -23.364 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.216 11.824 -23.116 1.00 0.00 H new ATOM 461 N VAL A 29 -5.676 12.066 -18.373 1.00 0.00 N ATOM 462 CA VAL A 29 -5.557 11.688 -16.965 1.00 0.00 C ATOM 463 C VAL A 29 -6.795 12.077 -16.147 1.00 0.00 C ATOM 464 O VAL A 29 -7.202 11.316 -15.274 1.00 0.00 O ATOM 465 CB VAL A 29 -4.224 12.239 -16.392 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.285 13.703 -15.930 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.708 11.358 -15.247 1.00 0.00 C ATOM 0 H VAL A 29 -4.863 12.579 -18.714 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.520 10.601 -16.890 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.528 12.210 -17.231 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.311 14.004 -15.545 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.554 14.340 -16.773 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.033 13.806 -15.144 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.773 11.768 -14.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.447 11.333 -14.446 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.537 10.346 -15.615 1.00 0.00 H new ATOM 477 N LYS A 30 -7.433 13.212 -16.466 1.00 0.00 N ATOM 478 CA LYS A 30 -8.606 13.717 -15.755 1.00 0.00 C ATOM 479 C LYS A 30 -9.752 12.702 -15.729 1.00 0.00 C ATOM 480 O LYS A 30 -10.523 12.694 -14.773 1.00 0.00 O ATOM 481 CB LYS A 30 -9.050 15.047 -16.392 1.00 0.00 C ATOM 482 CG LYS A 30 -10.039 15.815 -15.498 1.00 0.00 C ATOM 483 CD LYS A 30 -10.335 17.231 -16.011 1.00 0.00 C ATOM 484 CE LYS A 30 -11.066 17.219 -17.362 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.408 18.587 -17.827 1.00 0.00 N ATOM 0 H LYS A 30 -7.140 13.811 -17.238 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.330 13.888 -14.714 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.174 15.668 -16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.514 14.849 -17.358 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.972 15.255 -15.433 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.634 15.878 -14.488 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.941 17.762 -15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.400 17.782 -16.111 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.440 16.730 -18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.978 16.628 -17.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.900 18.530 -18.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.027 19.046 -17.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.537 19.144 -17.936 1.00 0.00 H new ATOM 499 N GLU A 31 -9.871 11.844 -16.746 1.00 0.00 N ATOM 500 CA GLU A 31 -10.969 10.887 -16.855 1.00 0.00 C ATOM 501 C GLU A 31 -10.444 9.463 -16.678 1.00 0.00 C ATOM 502 O GLU A 31 -11.012 8.688 -15.906 1.00 0.00 O ATOM 503 CB GLU A 31 -11.676 11.054 -18.210 1.00 0.00 C ATOM 504 CG GLU A 31 -12.374 12.416 -18.342 1.00 0.00 C ATOM 505 CD GLU A 31 -13.146 12.525 -19.670 1.00 0.00 C ATOM 506 OE1 GLU A 31 -12.566 12.973 -20.685 1.00 0.00 O ATOM 507 OE2 GLU A 31 -14.350 12.181 -19.710 1.00 0.00 O ATOM 0 H GLU A 31 -9.206 11.796 -17.517 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.695 11.079 -16.065 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.947 10.943 -19.013 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.411 10.259 -18.334 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.061 12.557 -17.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.633 13.213 -18.283 1.00 0.00 H new ATOM 514 N ARG A 32 -9.333 9.116 -17.340 1.00 0.00 N ATOM 515 CA ARG A 32 -8.788 7.755 -17.319 1.00 0.00 C ATOM 516 C ARG A 32 -8.335 7.320 -15.923 1.00 0.00 C ATOM 517 O ARG A 32 -8.242 6.117 -15.668 1.00 0.00 O ATOM 518 CB ARG A 32 -7.630 7.644 -18.319 1.00 0.00 C ATOM 519 CG ARG A 32 -8.093 7.623 -19.787 1.00 0.00 C ATOM 520 CD ARG A 32 -6.910 7.491 -20.759 1.00 0.00 C ATOM 521 NE ARG A 32 -6.205 6.203 -20.619 1.00 0.00 N ATOM 522 CZ ARG A 32 -4.963 5.946 -21.052 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.326 6.788 -21.860 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.342 4.844 -20.650 1.00 0.00 N ATOM 0 H ARG A 32 -8.789 9.769 -17.903 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.592 7.078 -17.610 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.950 8.483 -18.172 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.065 6.736 -18.110 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.782 6.792 -19.939 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.644 8.538 -20.007 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.271 7.594 -21.782 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.208 8.307 -20.585 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.704 5.445 -20.154 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.782 7.649 -22.162 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.381 6.573 -22.178 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.810 4.198 -20.015 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.397 4.643 -20.976 1.00 0.00 H new ATOM 538 N ILE A 33 -8.074 8.260 -15.008 1.00 0.00 N ATOM 539 CA ILE A 33 -7.746 7.929 -13.628 1.00 0.00 C ATOM 540 C ILE A 33 -8.836 7.058 -12.984 1.00 0.00 C ATOM 541 O ILE A 33 -8.499 6.177 -12.197 1.00 0.00 O ATOM 542 CB ILE A 33 -7.455 9.215 -12.822 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.872 8.904 -11.427 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.697 10.126 -12.709 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.469 8.291 -11.470 1.00 0.00 C ATOM 0 H ILE A 33 -8.085 9.261 -15.206 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.836 7.328 -13.620 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.697 9.762 -13.383 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.839 9.824 -10.843 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.542 8.220 -10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.444 11.017 -12.134 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.025 10.419 -13.706 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.500 9.586 -12.207 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.124 8.100 -10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.498 7.354 -12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.785 8.983 -11.961 1.00 0.00 H new ATOM 557 N ALA A 34 -10.117 7.249 -13.333 1.00 0.00 N ATOM 558 CA ALA A 34 -11.219 6.552 -12.678 1.00 0.00 C ATOM 559 C ALA A 34 -11.109 5.035 -12.859 1.00 0.00 C ATOM 560 O ALA A 34 -11.342 4.281 -11.914 1.00 0.00 O ATOM 561 CB ALA A 34 -12.553 7.069 -13.226 1.00 0.00 C ATOM 0 H ALA A 34 -10.410 7.887 -14.072 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.168 6.755 -11.608 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.375 6.547 -12.735 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.636 8.139 -13.033 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.599 6.890 -14.300 1.00 0.00 H new ATOM 567 N THR A 35 -10.740 4.584 -14.058 1.00 0.00 N ATOM 568 CA THR A 35 -10.535 3.174 -14.359 1.00 0.00 C ATOM 569 C THR A 35 -9.189 2.680 -13.808 1.00 0.00 C ATOM 570 O THR A 35 -9.099 1.534 -13.361 1.00 0.00 O ATOM 571 CB THR A 35 -10.656 2.970 -15.886 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.207 4.099 -16.624 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.124 2.760 -16.276 1.00 0.00 C ATOM 0 H THR A 35 -10.574 5.198 -14.855 1.00 0.00 H new ATOM 0 HA THR A 35 -11.301 2.575 -13.867 1.00 0.00 H new ATOM 0 HB THR A 35 -10.038 2.104 -16.122 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.302 3.922 -17.583 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.197 2.617 -17.354 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.513 1.879 -15.766 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.706 3.634 -15.985 1.00 0.00 H new ATOM 581 N ALA A 36 -8.151 3.526 -13.808 1.00 0.00 N ATOM 582 CA ALA A 36 -6.822 3.146 -13.339 1.00 0.00 C ATOM 583 C ALA A 36 -6.771 2.979 -11.814 1.00 0.00 C ATOM 584 O ALA A 36 -6.052 2.111 -11.319 1.00 0.00 O ATOM 585 CB ALA A 36 -5.810 4.202 -13.789 1.00 0.00 C ATOM 0 H ALA A 36 -8.214 4.491 -14.134 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.574 2.178 -13.774 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.815 3.924 -13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.810 4.265 -14.877 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.083 5.170 -13.369 1.00 0.00 H new ATOM 591 N VAL A 37 -7.520 3.801 -11.074 1.00 0.00 N ATOM 592 CA VAL A 37 -7.469 3.910 -9.621 1.00 0.00 C ATOM 593 C VAL A 37 -8.923 4.008 -9.119 1.00 0.00 C ATOM 594 O VAL A 37 -9.420 5.105 -8.861 1.00 0.00 O ATOM 595 CB VAL A 37 -6.561 5.082 -9.187 1.00 0.00 C ATOM 596 CG1 VAL A 37 -6.352 5.072 -7.668 1.00 0.00 C ATOM 597 CG2 VAL A 37 -5.167 5.042 -9.843 1.00 0.00 C ATOM 0 H VAL A 37 -8.204 4.432 -11.491 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.011 3.033 -9.164 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.078 5.985 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.710 5.905 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.315 5.169 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.882 4.134 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.578 5.891 -9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.663 4.115 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.273 5.091 -10.927 1.00 0.00 H new ATOM 607 N PRO A 38 -9.645 2.875 -9.013 1.00 0.00 N ATOM 608 CA PRO A 38 -11.068 2.861 -8.675 1.00 0.00 C ATOM 609 C PRO A 38 -11.365 3.196 -7.199 1.00 0.00 C ATOM 610 O PRO A 38 -12.535 3.266 -6.818 1.00 0.00 O ATOM 611 CB PRO A 38 -11.558 1.465 -9.075 1.00 0.00 C ATOM 612 CG PRO A 38 -10.318 0.591 -8.906 1.00 0.00 C ATOM 613 CD PRO A 38 -9.182 1.527 -9.313 1.00 0.00 C ATOM 0 HA PRO A 38 -11.598 3.649 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.376 1.129 -8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.925 1.447 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.206 0.243 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.359 -0.295 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.270 1.296 -8.762 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.950 1.421 -10.373 1.00 0.00 H new ATOM 621 N ASP A 39 -10.343 3.431 -6.368 1.00 0.00 N ATOM 622 CA ASP A 39 -10.469 3.929 -4.998 1.00 0.00 C ATOM 623 C ASP A 39 -9.510 5.101 -4.854 1.00 0.00 C ATOM 624 O ASP A 39 -8.292 4.918 -4.801 1.00 0.00 O ATOM 625 CB ASP A 39 -10.160 2.836 -3.966 1.00 0.00 C ATOM 626 CG ASP A 39 -10.006 3.398 -2.537 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.501 4.510 -2.242 1.00 0.00 O ATOM 628 OD2 ASP A 39 -9.402 2.702 -1.690 1.00 0.00 O ATOM 0 H ASP A 39 -9.373 3.274 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.495 4.244 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.959 2.094 -3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.243 2.321 -4.251 1.00 0.00 H new ATOM 633 N LYS A 40 -10.064 6.315 -4.827 1.00 0.00 N ATOM 634 CA LYS A 40 -9.284 7.546 -4.884 1.00 0.00 C ATOM 635 C LYS A 40 -8.344 7.739 -3.689 1.00 0.00 C ATOM 636 O LYS A 40 -7.467 8.603 -3.753 1.00 0.00 O ATOM 637 CB LYS A 40 -10.205 8.767 -5.001 1.00 0.00 C ATOM 638 CG LYS A 40 -11.293 8.713 -6.083 1.00 0.00 C ATOM 639 CD LYS A 40 -11.879 10.121 -6.272 1.00 0.00 C ATOM 640 CE LYS A 40 -12.908 10.154 -7.407 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.508 11.503 -7.559 1.00 0.00 N ATOM 0 H LYS A 40 -11.070 6.469 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.659 7.453 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.692 8.919 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.585 9.644 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.873 8.351 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.078 8.014 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.349 10.448 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.075 10.825 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.430 9.860 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.694 9.425 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.027 11.553 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.163 11.682 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.755 12.220 -7.553 1.00 0.00 H new ATOM 655 N ASN A 41 -8.528 6.982 -2.601 1.00 0.00 N ATOM 656 CA ASN A 41 -7.648 7.049 -1.439 1.00 0.00 C ATOM 657 C ASN A 41 -6.269 6.446 -1.729 1.00 0.00 C ATOM 658 O ASN A 41 -5.319 6.728 -0.999 1.00 0.00 O ATOM 659 CB ASN A 41 -8.295 6.325 -0.250 1.00 0.00 C ATOM 660 CG ASN A 41 -7.452 6.461 1.015 1.00 0.00 C ATOM 661 OD1 ASN A 41 -7.167 7.566 1.469 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.042 5.356 1.617 1.00 0.00 N ATOM 0 H ASN A 41 -9.289 6.310 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.504 8.102 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.289 6.734 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.423 5.270 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.483 5.416 2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.285 4.444 1.230 1.00 0.00 H new ATOM 669 N ASP A 42 -6.147 5.594 -2.750 1.00 0.00 N ATOM 670 CA ASP A 42 -4.904 4.887 -3.061 1.00 0.00 C ATOM 671 C ASP A 42 -3.795 5.857 -3.498 1.00 0.00 C ATOM 672 O ASP A 42 -4.088 6.948 -3.994 1.00 0.00 O ATOM 673 CB ASP A 42 -5.175 3.844 -4.148 1.00 0.00 C ATOM 674 CG ASP A 42 -4.030 2.836 -4.215 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.896 2.059 -3.245 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.286 2.820 -5.218 1.00 0.00 O ATOM 0 H ASP A 42 -6.913 5.375 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.552 4.387 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.112 3.327 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.291 4.337 -5.113 1.00 0.00 H new ATOM 681 N THR A 43 -2.524 5.490 -3.314 1.00 0.00 N ATOM 682 CA THR A 43 -1.398 6.367 -3.639 1.00 0.00 C ATOM 683 C THR A 43 -1.175 6.376 -5.158 1.00 0.00 C ATOM 684 O THR A 43 -1.138 5.313 -5.780 1.00 0.00 O ATOM 685 CB THR A 43 -0.128 5.912 -2.895 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.423 5.408 -1.603 1.00 0.00 O ATOM 687 CG2 THR A 43 0.891 7.047 -2.749 1.00 0.00 C ATOM 0 H THR A 43 -2.248 4.583 -2.938 1.00 0.00 H new ATOM 0 HA THR A 43 -1.627 7.382 -3.314 1.00 0.00 H new ATOM 0 HB THR A 43 0.301 5.118 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.407 5.128 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.770 6.681 -2.219 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.185 7.401 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.444 7.867 -2.187 1.00 0.00 H new ATOM 695 N VAL A 44 -0.959 7.549 -5.760 1.00 0.00 N ATOM 696 CA VAL A 44 -0.808 7.699 -7.207 1.00 0.00 C ATOM 697 C VAL A 44 0.455 8.518 -7.461 1.00 0.00 C ATOM 698 O VAL A 44 0.424 9.749 -7.493 1.00 0.00 O ATOM 699 CB VAL A 44 -2.083 8.305 -7.846 1.00 0.00 C ATOM 700 CG1 VAL A 44 -2.008 8.242 -9.378 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.369 7.587 -7.411 1.00 0.00 C ATOM 0 H VAL A 44 -0.884 8.429 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.692 6.729 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.122 9.338 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.914 8.673 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.141 8.805 -9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.916 7.203 -9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.228 8.056 -7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.317 6.538 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.476 7.656 -6.328 1.00 0.00 H new ATOM 711 N LYS A 45 1.594 7.840 -7.601 1.00 0.00 N ATOM 712 CA LYS A 45 2.812 8.497 -8.053 1.00 0.00 C ATOM 713 C LYS A 45 2.635 8.799 -9.537 1.00 0.00 C ATOM 714 O LYS A 45 2.266 7.908 -10.306 1.00 0.00 O ATOM 715 CB LYS A 45 4.032 7.603 -7.793 1.00 0.00 C ATOM 716 CG LYS A 45 4.338 7.507 -6.289 1.00 0.00 C ATOM 717 CD LYS A 45 5.494 6.535 -6.038 1.00 0.00 C ATOM 718 CE LYS A 45 5.839 6.387 -4.550 1.00 0.00 C ATOM 719 NZ LYS A 45 6.637 7.518 -4.018 1.00 0.00 N ATOM 0 H LYS A 45 1.695 6.843 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 45 2.987 9.423 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.848 6.606 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.899 8.003 -8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.593 8.493 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.451 7.172 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.234 5.557 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.376 6.881 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.916 6.301 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.393 5.460 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.980 7.283 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.448 7.695 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.043 8.370 -3.971 1.00 0.00 H new ATOM 733 N VAL A 46 2.926 10.023 -9.953 1.00 0.00 N ATOM 734 CA VAL A 46 2.888 10.439 -11.350 1.00 0.00 C ATOM 735 C VAL A 46 4.278 10.968 -11.717 1.00 0.00 C ATOM 736 O VAL A 46 4.923 11.604 -10.882 1.00 0.00 O ATOM 737 CB VAL A 46 1.735 11.447 -11.591 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.363 10.831 -11.272 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.823 12.749 -10.780 1.00 0.00 C ATOM 0 H VAL A 46 3.201 10.771 -9.317 1.00 0.00 H new ATOM 0 HA VAL A 46 2.665 9.603 -12.013 1.00 0.00 H new ATOM 0 HB VAL A 46 1.844 11.688 -12.648 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.418 11.569 -11.454 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.197 9.963 -11.909 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.336 10.524 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.971 13.386 -11.020 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.813 12.516 -9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.747 13.271 -11.028 1.00 0.00 H new ATOM 749 N TYR A 47 4.753 10.719 -12.940 1.00 0.00 N ATOM 750 CA TYR A 47 6.003 11.266 -13.459 1.00 0.00 C ATOM 751 C TYR A 47 5.818 11.623 -14.937 1.00 0.00 C ATOM 752 O TYR A 47 4.874 11.166 -15.592 1.00 0.00 O ATOM 753 CB TYR A 47 7.191 10.300 -13.256 1.00 0.00 C ATOM 754 CG TYR A 47 7.323 9.251 -14.342 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.482 8.123 -14.350 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.234 9.457 -15.397 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.554 7.203 -15.409 1.00 0.00 C ATOM 758 CE2 TYR A 47 8.294 8.549 -16.465 1.00 0.00 C ATOM 759 CZ TYR A 47 7.461 7.411 -16.472 1.00 0.00 C ATOM 760 OH TYR A 47 7.537 6.511 -17.493 1.00 0.00 O ATOM 0 H TYR A 47 4.268 10.120 -13.608 1.00 0.00 H new ATOM 0 HA TYR A 47 6.247 12.168 -12.897 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.113 10.879 -13.210 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.080 9.800 -12.294 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.782 7.965 -13.543 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.888 10.316 -15.384 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.914 6.333 -15.411 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.979 8.722 -17.282 1.00 0.00 H new ATOM 0 HH TYR A 47 8.210 6.807 -18.141 1.00 0.00 H new ATOM 770 N CYS A 48 6.730 12.439 -15.455 1.00 0.00 N ATOM 771 CA CYS A 48 6.812 12.875 -16.843 1.00 0.00 C ATOM 772 C CYS A 48 8.288 12.994 -17.206 1.00 0.00 C ATOM 773 O CYS A 48 9.150 12.723 -16.376 1.00 0.00 O ATOM 774 CB CYS A 48 6.083 14.219 -16.993 1.00 0.00 C ATOM 775 SG CYS A 48 4.367 13.887 -17.421 1.00 0.00 S ATOM 0 H CYS A 48 7.475 12.837 -14.883 1.00 0.00 H new ATOM 0 HA CYS A 48 6.335 12.162 -17.516 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.140 14.787 -16.065 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.557 14.824 -17.766 1.00 0.00 H new ATOM 0 HG CYS A 48 4.031 14.602 -18.453 1.00 0.00 H new ATOM 781 N ASN A 49 8.609 13.399 -18.437 1.00 0.00 N ATOM 782 CA ASN A 49 10.000 13.403 -18.890 1.00 0.00 C ATOM 783 C ASN A 49 10.868 14.383 -18.091 1.00 0.00 C ATOM 784 O ASN A 49 12.002 14.045 -17.753 1.00 0.00 O ATOM 785 CB ASN A 49 10.092 13.691 -20.394 1.00 0.00 C ATOM 786 CG ASN A 49 11.467 13.279 -20.905 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.333 14.110 -21.161 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.680 11.981 -21.056 1.00 0.00 N ATOM 0 H ASN A 49 7.934 13.724 -19.129 1.00 0.00 H new ATOM 0 HA ASN A 49 10.394 12.403 -18.708 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.315 13.145 -20.928 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.924 14.751 -20.583 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.583 11.648 -21.393 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.941 11.314 -20.835 1.00 0.00 H new ATOM 795 N ALA A 50 10.314 15.550 -17.729 1.00 0.00 N ATOM 796 CA ALA A 50 11.030 16.613 -17.015 1.00 0.00 C ATOM 797 C ALA A 50 10.419 16.940 -15.641 1.00 0.00 C ATOM 798 O ALA A 50 11.115 17.501 -14.795 1.00 0.00 O ATOM 799 CB ALA A 50 11.084 17.863 -17.901 1.00 0.00 C ATOM 0 H ALA A 50 9.341 15.783 -17.928 1.00 0.00 H new ATOM 0 HA ALA A 50 12.038 16.253 -16.811 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.615 18.658 -17.377 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.606 17.629 -18.829 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.070 18.192 -18.128 1.00 0.00 H new ATOM 805 N GLY A 51 9.151 16.584 -15.397 1.00 0.00 N ATOM 806 CA GLY A 51 8.521 16.629 -14.074 1.00 0.00 C ATOM 807 C GLY A 51 7.430 17.691 -13.943 1.00 0.00 C ATOM 808 O GLY A 51 6.542 17.550 -13.102 1.00 0.00 O ATOM 0 H GLY A 51 8.524 16.250 -16.129 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.091 15.652 -13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.289 16.816 -13.323 1.00 0.00 H new ATOM 812 N ARG A 52 7.451 18.750 -14.761 1.00 0.00 N ATOM 813 CA ARG A 52 6.450 19.815 -14.665 1.00 0.00 C ATOM 814 C ARG A 52 5.073 19.327 -15.099 1.00 0.00 C ATOM 815 O ARG A 52 4.096 19.625 -14.425 1.00 0.00 O ATOM 816 CB ARG A 52 6.923 21.101 -15.375 1.00 0.00 C ATOM 817 CG ARG A 52 7.082 21.067 -16.907 1.00 0.00 C ATOM 818 CD ARG A 52 5.838 21.530 -17.683 1.00 0.00 C ATOM 819 NE ARG A 52 6.123 21.593 -19.129 1.00 0.00 N ATOM 820 CZ ARG A 52 5.234 21.774 -20.116 1.00 0.00 C ATOM 821 NH1 ARG A 52 3.928 21.825 -19.869 1.00 0.00 N ATOM 822 NH2 ARG A 52 5.666 21.898 -21.367 1.00 0.00 N ATOM 0 H ARG A 52 8.147 18.891 -15.493 1.00 0.00 H new ATOM 0 HA ARG A 52 6.338 20.092 -13.617 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.218 21.896 -15.130 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.884 21.384 -14.946 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.926 21.698 -17.187 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.329 20.050 -17.212 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.011 20.844 -17.499 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.524 22.511 -17.326 1.00 0.00 H new ATOM 0 HE ARG A 52 7.099 21.488 -19.407 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.585 21.726 -18.913 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.269 21.964 -20.635 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.665 21.855 -21.568 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.998 22.036 -22.126 1.00 0.00 H new ATOM 836 N GLN A 53 4.983 18.530 -16.167 1.00 0.00 N ATOM 837 CA GLN A 53 3.712 17.991 -16.650 1.00 0.00 C ATOM 838 C GLN A 53 3.102 17.010 -15.644 1.00 0.00 C ATOM 839 O GLN A 53 1.882 16.991 -15.494 1.00 0.00 O ATOM 840 CB GLN A 53 3.889 17.344 -18.034 1.00 0.00 C ATOM 841 CG GLN A 53 4.100 18.398 -19.130 1.00 0.00 C ATOM 842 CD GLN A 53 4.338 17.773 -20.501 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.469 17.711 -20.978 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.301 17.283 -21.160 1.00 0.00 N ATOM 0 H GLN A 53 5.790 18.241 -16.720 1.00 0.00 H new ATOM 0 HA GLN A 53 3.011 18.819 -16.754 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.742 16.666 -18.012 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.010 16.744 -18.270 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.227 19.049 -19.177 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.951 19.026 -18.867 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.366 17.340 -20.755 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.436 16.849 -22.073 1.00 0.00 H new ATOM 853 N SER A 54 3.901 16.245 -14.897 1.00 0.00 N ATOM 854 CA SER A 54 3.368 15.439 -13.807 1.00 0.00 C ATOM 855 C SER A 54 2.944 16.327 -12.635 1.00 0.00 C ATOM 856 O SER A 54 1.957 16.021 -11.971 1.00 0.00 O ATOM 857 CB SER A 54 4.357 14.339 -13.429 1.00 0.00 C ATOM 858 OG SER A 54 5.701 14.759 -13.537 1.00 0.00 O ATOM 0 H SER A 54 4.910 16.170 -15.028 1.00 0.00 H new ATOM 0 HA SER A 54 2.461 14.930 -14.133 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.162 14.015 -12.407 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.197 13.474 -14.073 1.00 0.00 H new ATOM 0 HG SER A 54 6.084 14.864 -12.641 1.00 0.00 H new ATOM 864 N GLY A 55 3.615 17.463 -12.428 1.00 0.00 N ATOM 865 CA GLY A 55 3.169 18.514 -11.527 1.00 0.00 C ATOM 866 C GLY A 55 1.760 18.989 -11.905 1.00 0.00 C ATOM 867 O GLY A 55 0.869 19.029 -11.056 1.00 0.00 O ATOM 0 H GLY A 55 4.498 17.676 -12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.171 18.146 -10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.864 19.353 -11.566 1.00 0.00 H new ATOM 871 N GLN A 56 1.525 19.267 -13.191 1.00 0.00 N ATOM 872 CA GLN A 56 0.215 19.668 -13.704 1.00 0.00 C ATOM 873 C GLN A 56 -0.814 18.558 -13.476 1.00 0.00 C ATOM 874 O GLN A 56 -1.909 18.828 -12.981 1.00 0.00 O ATOM 875 CB GLN A 56 0.294 19.999 -15.202 1.00 0.00 C ATOM 876 CG GLN A 56 1.231 21.175 -15.520 1.00 0.00 C ATOM 877 CD GLN A 56 1.337 21.453 -17.017 1.00 0.00 C ATOM 878 OE1 GLN A 56 2.375 21.216 -17.630 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.285 21.960 -17.641 1.00 0.00 N ATOM 0 H GLN A 56 2.247 19.219 -13.910 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.098 20.561 -13.162 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.634 19.117 -15.744 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.706 20.232 -15.568 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.870 22.070 -15.013 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.223 20.962 -15.123 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.572 22.153 -17.122 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.331 22.158 -18.641 1.00 0.00 H new ATOM 888 N ALA A 57 -0.466 17.304 -13.788 1.00 0.00 N ATOM 889 CA ALA A 57 -1.354 16.170 -13.556 1.00 0.00 C ATOM 890 C ALA A 57 -1.707 16.043 -12.075 1.00 0.00 C ATOM 891 O ALA A 57 -2.833 15.680 -11.743 1.00 0.00 O ATOM 892 CB ALA A 57 -0.714 14.872 -14.052 1.00 0.00 C ATOM 0 H ALA A 57 0.431 17.053 -14.204 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.272 16.348 -14.117 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.393 14.039 -13.869 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.514 14.950 -15.121 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.222 14.701 -13.520 1.00 0.00 H new ATOM 898 N LYS A 58 -0.769 16.365 -11.182 1.00 0.00 N ATOM 899 CA LYS A 58 -1.016 16.296 -9.745 1.00 0.00 C ATOM 900 C LYS A 58 -2.117 17.284 -9.381 1.00 0.00 C ATOM 901 O LYS A 58 -3.012 16.924 -8.618 1.00 0.00 O ATOM 902 CB LYS A 58 0.294 16.500 -8.951 1.00 0.00 C ATOM 903 CG LYS A 58 0.198 16.043 -7.484 1.00 0.00 C ATOM 904 CD LYS A 58 -0.348 17.101 -6.513 1.00 0.00 C ATOM 905 CE LYS A 58 -0.824 16.418 -5.222 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.555 17.351 -4.332 1.00 0.00 N ATOM 0 H LYS A 58 0.170 16.676 -11.432 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.369 15.303 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.097 15.951 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.566 17.555 -8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.440 15.161 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.189 15.739 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.426 17.834 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.173 17.643 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.471 15.578 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.036 16.010 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.694 16.907 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.004 18.226 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.480 17.576 -4.750 1.00 0.00 H new ATOM 920 N GLU A 59 -2.099 18.497 -9.936 1.00 0.00 N ATOM 921 CA GLU A 59 -3.147 19.481 -9.689 1.00 0.00 C ATOM 922 C GLU A 59 -4.494 18.979 -10.225 1.00 0.00 C ATOM 923 O GLU A 59 -5.485 19.048 -9.499 1.00 0.00 O ATOM 924 CB GLU A 59 -2.783 20.846 -10.296 1.00 0.00 C ATOM 925 CG GLU A 59 -1.560 21.479 -9.616 1.00 0.00 C ATOM 926 CD GLU A 59 -1.269 22.885 -10.171 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.559 23.013 -11.194 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.733 23.885 -9.575 1.00 0.00 O ATOM 0 H GLU A 59 -1.363 18.820 -10.564 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.238 19.616 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.582 20.726 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.635 21.520 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.731 21.539 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.689 20.841 -9.765 1.00 0.00 H new ATOM 935 N ILE A 60 -4.533 18.413 -11.442 1.00 0.00 N ATOM 936 CA ILE A 60 -5.759 17.846 -12.017 1.00 0.00 C ATOM 937 C ILE A 60 -6.329 16.803 -11.052 1.00 0.00 C ATOM 938 O ILE A 60 -7.509 16.850 -10.702 1.00 0.00 O ATOM 939 CB ILE A 60 -5.496 17.231 -13.419 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.084 18.311 -14.444 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.728 16.471 -13.953 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.662 17.735 -15.804 1.00 0.00 C ATOM 0 H ILE A 60 -3.718 18.337 -12.051 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.489 18.644 -12.155 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.675 16.525 -13.294 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.918 18.997 -14.592 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.260 18.894 -14.034 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.502 16.056 -14.935 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.982 15.662 -13.268 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.572 17.157 -14.034 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.386 18.549 -16.474 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.808 17.071 -15.669 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.492 17.176 -16.236 1.00 0.00 H new ATOM 954 N LEU A 61 -5.500 15.854 -10.613 1.00 0.00 N ATOM 955 CA LEU A 61 -5.969 14.748 -9.794 1.00 0.00 C ATOM 956 C LEU A 61 -6.339 15.210 -8.382 1.00 0.00 C ATOM 957 O LEU A 61 -7.238 14.626 -7.776 1.00 0.00 O ATOM 958 CB LEU A 61 -4.939 13.611 -9.784 1.00 0.00 C ATOM 959 CG LEU A 61 -4.716 12.921 -11.148 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.838 11.679 -10.956 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.035 12.527 -11.820 1.00 0.00 C ATOM 0 H LEU A 61 -4.500 15.834 -10.814 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.884 14.357 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.986 14.007 -9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.256 12.860 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.218 13.635 -11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.681 11.192 -11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.876 11.975 -10.537 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.332 10.986 -10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.827 12.046 -12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.579 11.836 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.639 13.419 -11.987 1.00 0.00 H new ATOM 973 N SER A 62 -5.716 16.277 -7.877 1.00 0.00 N ATOM 974 CA SER A 62 -6.115 16.894 -6.619 1.00 0.00 C ATOM 975 C SER A 62 -7.523 17.486 -6.745 1.00 0.00 C ATOM 976 O SER A 62 -8.351 17.271 -5.859 1.00 0.00 O ATOM 977 CB SER A 62 -5.106 17.970 -6.203 1.00 0.00 C ATOM 978 OG SER A 62 -3.801 17.424 -6.112 1.00 0.00 O ATOM 0 H SER A 62 -4.924 16.733 -8.330 1.00 0.00 H new ATOM 0 HA SER A 62 -6.131 16.129 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.115 18.784 -6.928 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.396 18.395 -5.242 1.00 0.00 H new ATOM 0 HG SER A 62 -3.418 17.340 -7.010 1.00 0.00 H new ATOM 984 N GLU A 63 -7.836 18.170 -7.853 1.00 0.00 N ATOM 985 CA GLU A 63 -9.178 18.704 -8.096 1.00 0.00 C ATOM 986 C GLU A 63 -10.195 17.566 -8.270 1.00 0.00 C ATOM 987 O GLU A 63 -11.334 17.685 -7.814 1.00 0.00 O ATOM 988 CB GLU A 63 -9.185 19.635 -9.319 1.00 0.00 C ATOM 989 CG GLU A 63 -8.468 20.964 -9.043 1.00 0.00 C ATOM 990 CD GLU A 63 -8.588 21.926 -10.239 1.00 0.00 C ATOM 991 OE1 GLU A 63 -7.739 21.886 -11.158 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.529 22.753 -10.264 1.00 0.00 O ATOM 0 H GLU A 63 -7.170 18.367 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.471 19.290 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.704 19.133 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.215 19.835 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.893 21.431 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.416 20.774 -8.831 1.00 0.00 H new ATOM 999 N MET A 64 -9.782 16.443 -8.869 1.00 0.00 N ATOM 1000 CA MET A 64 -10.592 15.227 -8.971 1.00 0.00 C ATOM 1001 C MET A 64 -10.744 14.496 -7.623 1.00 0.00 C ATOM 1002 O MET A 64 -11.507 13.530 -7.545 1.00 0.00 O ATOM 1003 CB MET A 64 -9.999 14.286 -10.032 1.00 0.00 C ATOM 1004 CG MET A 64 -10.135 14.808 -11.469 1.00 0.00 C ATOM 1005 SD MET A 64 -11.832 14.934 -12.109 1.00 0.00 S ATOM 1006 CE MET A 64 -12.347 13.193 -12.039 1.00 0.00 C ATOM 0 H MET A 64 -8.863 16.354 -9.302 1.00 0.00 H new ATOM 0 HA MET A 64 -11.593 15.533 -9.274 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.944 14.125 -9.812 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.491 13.316 -9.960 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.673 15.794 -11.522 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.566 14.153 -12.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.239 13.053 -12.649 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.544 12.561 -12.419 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.567 12.920 -11.007 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.059 14.935 -6.561 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.271 14.460 -5.199 1.00 0.00 C ATOM 1018 C GLY A 65 -9.425 13.241 -4.829 1.00 0.00 C ATOM 1019 O GLY A 65 -9.743 12.572 -3.844 1.00 0.00 O ATOM 0 H GLY A 65 -9.329 15.644 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.048 15.269 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.325 14.211 -5.071 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.378 12.919 -5.595 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.469 11.828 -5.257 1.00 0.00 C ATOM 1025 C TYR A 66 -6.611 12.265 -4.070 1.00 0.00 C ATOM 1026 O TYR A 66 -5.948 13.303 -4.111 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.672 11.385 -6.488 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.530 10.621 -7.481 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.413 11.311 -8.333 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -7.520 9.213 -7.481 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.321 10.606 -9.142 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -8.424 8.502 -8.288 1.00 0.00 C ATOM 1033 CZ TYR A 66 -9.344 9.195 -9.106 1.00 0.00 C ATOM 1034 OH TYR A 66 -10.262 8.501 -9.835 1.00 0.00 O ATOM 0 H TYR A 66 -8.141 13.405 -6.460 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.018 10.938 -4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.245 12.261 -6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.838 10.758 -6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.393 12.390 -8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.816 8.679 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.999 11.142 -9.789 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.416 7.422 -8.283 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.133 7.540 -9.693 1.00 0.00 H new ATOM 1044 N THR A 67 -6.666 11.486 -2.992 1.00 0.00 N ATOM 1045 CA THR A 67 -6.167 11.852 -1.680 1.00 0.00 C ATOM 1046 C THR A 67 -4.635 11.819 -1.567 1.00 0.00 C ATOM 1047 O THR A 67 -4.071 12.599 -0.797 1.00 0.00 O ATOM 1048 CB THR A 67 -6.822 10.884 -0.671 1.00 0.00 C ATOM 1049 OG1 THR A 67 -8.140 10.517 -1.068 1.00 0.00 O ATOM 1050 CG2 THR A 67 -6.918 11.487 0.724 1.00 0.00 C ATOM 0 H THR A 67 -7.074 10.552 -3.015 1.00 0.00 H new ATOM 0 HA THR A 67 -6.431 12.890 -1.476 1.00 0.00 H new ATOM 0 HB THR A 67 -6.175 10.007 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.522 9.903 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.385 10.770 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.918 11.728 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.519 12.395 0.687 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.954 10.952 -2.328 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.532 10.653 -2.136 1.00 0.00 C ATOM 1060 C HIS A 68 -1.790 10.610 -3.478 1.00 0.00 C ATOM 1061 O HIS A 68 -1.009 9.697 -3.753 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.389 9.359 -1.312 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.978 9.445 0.076 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -4.009 8.681 0.573 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -2.586 10.291 1.080 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -4.236 9.058 1.842 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -3.390 10.042 2.202 1.00 0.00 N ATOM 0 H HIS A 68 -4.379 10.436 -3.099 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.057 11.453 -1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.871 8.543 -1.850 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.332 9.107 -1.232 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.514 7.954 0.065 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.795 11.023 1.018 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.992 8.631 2.484 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.066 11.580 -4.349 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.278 11.782 -5.561 1.00 0.00 C ATOM 1077 C VAL A 69 0.067 12.396 -5.149 1.00 0.00 C ATOM 1078 O VAL A 69 0.122 13.185 -4.202 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.016 12.696 -6.562 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.421 12.579 -7.975 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.512 12.386 -6.662 1.00 0.00 C ATOM 0 H VAL A 69 -2.834 12.241 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.120 10.828 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.886 13.706 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.964 13.236 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.371 12.869 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.506 11.549 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.976 13.061 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.649 11.356 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.977 12.520 -5.686 1.00 0.00 H new ATOM 1091 N GLU A 70 1.139 12.088 -5.877 1.00 0.00 N ATOM 1092 CA GLU A 70 2.466 12.633 -5.635 1.00 0.00 C ATOM 1093 C GLU A 70 3.166 12.797 -6.983 1.00 0.00 C ATOM 1094 O GLU A 70 3.289 11.826 -7.731 1.00 0.00 O ATOM 1095 CB GLU A 70 3.229 11.669 -4.709 1.00 0.00 C ATOM 1096 CG GLU A 70 4.655 12.149 -4.409 1.00 0.00 C ATOM 1097 CD GLU A 70 5.350 11.227 -3.395 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.705 10.084 -3.760 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.560 11.643 -2.232 1.00 0.00 O ATOM 0 H GLU A 70 1.105 11.441 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 70 2.420 13.607 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.681 11.560 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.271 10.683 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.233 12.179 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.625 13.166 -4.018 1.00 0.00 H new ATOM 1106 N ASN A 71 3.624 14.011 -7.308 1.00 0.00 N ATOM 1107 CA ASN A 71 4.513 14.193 -8.451 1.00 0.00 C ATOM 1108 C ASN A 71 5.884 13.676 -8.037 1.00 0.00 C ATOM 1109 O ASN A 71 6.572 14.299 -7.224 1.00 0.00 O ATOM 1110 CB ASN A 71 4.613 15.651 -8.913 1.00 0.00 C ATOM 1111 CG ASN A 71 5.615 15.787 -10.062 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.930 14.833 -10.768 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.138 16.972 -10.295 1.00 0.00 N ATOM 0 H ASN A 71 3.396 14.867 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 71 4.111 13.643 -9.302 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.633 16.004 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.921 16.282 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.802 17.095 -11.059 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.879 17.767 -9.711 1.00 0.00 H new ATOM 1120 N ALA A 72 6.255 12.517 -8.567 1.00 0.00 N ATOM 1121 CA ALA A 72 7.508 11.855 -8.272 1.00 0.00 C ATOM 1122 C ALA A 72 8.708 12.643 -8.816 1.00 0.00 C ATOM 1123 O ALA A 72 9.794 12.544 -8.243 1.00 0.00 O ATOM 1124 CB ALA A 72 7.455 10.456 -8.880 1.00 0.00 C ATOM 0 H ALA A 72 5.674 12.003 -9.230 1.00 0.00 H new ATOM 0 HA ALA A 72 7.642 11.794 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.389 9.933 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.624 9.901 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.314 10.533 -9.958 1.00 0.00 H new ATOM 1130 N GLY A 73 8.529 13.413 -9.897 1.00 0.00 N ATOM 1131 CA GLY A 73 9.586 14.183 -10.540 1.00 0.00 C ATOM 1132 C GLY A 73 9.650 13.881 -12.033 1.00 0.00 C ATOM 1133 O GLY A 73 8.696 13.360 -12.617 1.00 0.00 O ATOM 0 H GLY A 73 7.623 13.516 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.409 15.248 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.545 13.949 -10.077 1.00 0.00 H new ATOM 1137 N GLY A 74 10.784 14.216 -12.651 1.00 0.00 N ATOM 1138 CA GLY A 74 11.056 13.884 -14.041 1.00 0.00 C ATOM 1139 C GLY A 74 11.652 12.483 -14.160 1.00 0.00 C ATOM 1140 O GLY A 74 12.240 11.969 -13.209 1.00 0.00 O ATOM 0 H GLY A 74 11.540 14.727 -12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.134 13.942 -14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.745 14.614 -14.465 1.00 0.00 H new ATOM 1144 N LEU A 75 11.570 11.875 -15.344 1.00 0.00 N ATOM 1145 CA LEU A 75 12.123 10.552 -15.651 1.00 0.00 C ATOM 1146 C LEU A 75 13.635 10.492 -15.399 1.00 0.00 C ATOM 1147 O LEU A 75 14.169 9.424 -15.101 1.00 0.00 O ATOM 1148 CB LEU A 75 11.796 10.213 -17.120 1.00 0.00 C ATOM 1149 CG LEU A 75 12.346 8.866 -17.639 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.884 7.651 -16.822 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.913 8.671 -19.094 1.00 0.00 C ATOM 0 H LEU A 75 11.102 12.303 -16.143 1.00 0.00 H new ATOM 0 HA LEU A 75 11.669 9.815 -14.988 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.713 10.212 -17.240 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.186 11.011 -17.752 1.00 0.00 H new ATOM 0 HG LEU A 75 13.430 8.920 -17.544 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.311 6.743 -17.247 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.216 7.759 -15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.796 7.587 -16.848 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.299 7.721 -19.464 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.825 8.668 -19.152 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.307 9.485 -19.703 1.00 0.00 H new ATOM 1163 N LYS A 76 14.326 11.633 -15.486 1.00 0.00 N ATOM 1164 CA LYS A 76 15.744 11.752 -15.150 1.00 0.00 C ATOM 1165 C LYS A 76 16.006 11.596 -13.643 1.00 0.00 C ATOM 1166 O LYS A 76 17.169 11.496 -13.249 1.00 0.00 O ATOM 1167 CB LYS A 76 16.285 13.110 -15.641 1.00 0.00 C ATOM 1168 CG LYS A 76 16.042 13.428 -17.129 1.00 0.00 C ATOM 1169 CD LYS A 76 16.618 12.370 -18.086 1.00 0.00 C ATOM 1170 CE LYS A 76 16.407 12.743 -19.563 1.00 0.00 C ATOM 1171 NZ LYS A 76 17.230 13.902 -19.996 1.00 0.00 N ATOM 0 H LYS A 76 13.908 12.510 -15.796 1.00 0.00 H new ATOM 0 HA LYS A 76 16.267 10.939 -15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.832 13.899 -15.041 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.358 13.143 -15.452 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.970 13.518 -17.303 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.485 14.396 -17.362 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.684 12.250 -17.892 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.147 11.407 -17.886 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.647 11.882 -20.187 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.354 12.972 -19.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.057 14.094 -21.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.973 14.739 -19.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.237 13.685 -19.853 1.00 0.00 H new ATOM 1185 N ASP A 77 14.968 11.591 -12.801 1.00 0.00 N ATOM 1186 CA ASP A 77 15.073 11.654 -11.344 1.00 0.00 C ATOM 1187 C ASP A 77 14.379 10.476 -10.657 1.00 0.00 C ATOM 1188 O ASP A 77 14.900 10.018 -9.637 1.00 0.00 O ATOM 1189 CB ASP A 77 14.510 12.982 -10.828 1.00 0.00 C ATOM 1190 CG ASP A 77 14.683 13.096 -9.304 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.824 13.316 -8.838 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.678 13.005 -8.566 1.00 0.00 O ATOM 0 H ASP A 77 14.003 11.541 -13.127 1.00 0.00 H new ATOM 0 HA ASP A 77 16.132 11.590 -11.094 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.018 13.812 -11.319 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.453 13.058 -11.085 1.00 0.00 H new ATOM 1197 N ILE A 78 13.270 9.929 -11.192 1.00 0.00 N ATOM 1198 CA ILE A 78 12.740 8.656 -10.688 1.00 0.00 C ATOM 1199 C ILE A 78 13.853 7.603 -10.837 1.00 0.00 C ATOM 1200 O ILE A 78 14.486 7.518 -11.894 1.00 0.00 O ATOM 1201 CB ILE A 78 11.424 8.251 -11.410 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.207 9.082 -10.951 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.063 6.778 -11.134 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.202 10.530 -11.428 1.00 0.00 C ATOM 0 H ILE A 78 12.736 10.342 -11.957 1.00 0.00 H new ATOM 0 HA ILE A 78 12.464 8.746 -9.637 1.00 0.00 H new ATOM 0 HB ILE A 78 11.622 8.427 -12.467 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.298 8.595 -11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.170 9.073 -9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.138 6.527 -11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.866 6.133 -11.491 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.929 6.631 -10.062 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.309 11.033 -11.056 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.089 11.040 -11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.204 10.554 -12.518 1.00 0.00 H new ATOM 1216 N ALA A 79 14.059 6.775 -9.804 1.00 0.00 N ATOM 1217 CA ALA A 79 15.136 5.783 -9.736 1.00 0.00 C ATOM 1218 C ALA A 79 14.597 4.347 -9.662 1.00 0.00 C ATOM 1219 O ALA A 79 15.261 3.433 -9.168 1.00 0.00 O ATOM 1220 CB ALA A 79 16.081 6.137 -8.580 1.00 0.00 C ATOM 0 H ALA A 79 13.466 6.778 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 79 15.712 5.817 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.883 5.401 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.507 7.126 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.525 6.136 -7.642 1.00 0.00 H new ATOM 1226 N MET A 80 13.373 4.163 -10.153 1.00 0.00 N ATOM 1227 CA MET A 80 12.780 2.851 -10.407 1.00 0.00 C ATOM 1228 C MET A 80 13.525 2.190 -11.577 1.00 0.00 C ATOM 1229 O MET A 80 14.143 2.905 -12.375 1.00 0.00 O ATOM 1230 CB MET A 80 11.302 3.027 -10.800 1.00 0.00 C ATOM 1231 CG MET A 80 10.396 3.326 -9.602 1.00 0.00 C ATOM 1232 SD MET A 80 10.070 1.905 -8.518 1.00 0.00 S ATOM 1233 CE MET A 80 8.904 0.971 -9.552 1.00 0.00 C ATOM 0 H MET A 80 12.753 4.937 -10.390 1.00 0.00 H new ATOM 0 HA MET A 80 12.854 2.234 -9.512 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.218 3.838 -11.523 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.953 2.121 -11.295 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.851 4.120 -9.010 1.00 0.00 H new ATOM 0 HG3 MET A 80 9.445 3.709 -9.971 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.175 0.469 -8.916 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.388 1.654 -10.226 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.449 0.228 -10.135 1.00 0.00 H new ATOM 1243 N PRO A 81 13.443 0.856 -11.735 1.00 0.00 N ATOM 1244 CA PRO A 81 13.892 0.202 -12.956 1.00 0.00 C ATOM 1245 C PRO A 81 13.034 0.691 -14.134 1.00 0.00 C ATOM 1246 O PRO A 81 11.893 1.135 -13.951 1.00 0.00 O ATOM 1247 CB PRO A 81 13.768 -1.303 -12.697 1.00 0.00 C ATOM 1248 CG PRO A 81 12.721 -1.410 -11.588 1.00 0.00 C ATOM 1249 CD PRO A 81 12.875 -0.109 -10.803 1.00 0.00 C ATOM 0 HA PRO A 81 14.924 0.436 -13.219 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.453 -1.836 -13.594 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.721 -1.733 -12.388 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.716 -1.512 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.898 -2.280 -10.956 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.913 0.234 -10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.526 -0.248 -9.940 1.00 0.00 H new ATOM 1257 N LYS A 82 13.580 0.622 -15.349 1.00 0.00 N ATOM 1258 CA LYS A 82 12.981 1.204 -16.551 1.00 0.00 C ATOM 1259 C LYS A 82 13.155 0.219 -17.699 1.00 0.00 C ATOM 1260 O LYS A 82 14.178 -0.467 -17.770 1.00 0.00 O ATOM 1261 CB LYS A 82 13.657 2.552 -16.885 1.00 0.00 C ATOM 1262 CG LYS A 82 13.360 3.646 -15.845 1.00 0.00 C ATOM 1263 CD LYS A 82 14.337 4.829 -15.921 1.00 0.00 C ATOM 1264 CE LYS A 82 14.141 5.682 -14.656 1.00 0.00 C ATOM 1265 NZ LYS A 82 15.081 6.825 -14.555 1.00 0.00 N ATOM 0 H LYS A 82 14.467 0.152 -15.529 1.00 0.00 H new ATOM 0 HA LYS A 82 11.920 1.394 -16.387 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.735 2.405 -16.952 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.319 2.889 -17.865 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.344 4.012 -15.991 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.402 3.211 -14.846 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.365 4.472 -15.986 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.149 5.423 -16.815 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.119 6.061 -14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.260 5.047 -13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.239 7.057 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.987 6.570 -14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.677 7.650 -15.042 1.00 0.00 H new ATOM 1279 N VAL A 83 12.171 0.149 -18.590 1.00 0.00 N ATOM 1280 CA VAL A 83 12.078 -0.830 -19.661 1.00 0.00 C ATOM 1281 C VAL A 83 11.470 -0.153 -20.892 1.00 0.00 C ATOM 1282 O VAL A 83 10.698 0.797 -20.751 1.00 0.00 O ATOM 1283 CB VAL A 83 11.212 -2.017 -19.184 1.00 0.00 C ATOM 1284 CG1 VAL A 83 12.026 -3.011 -18.342 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.959 -1.614 -18.383 1.00 0.00 C ATOM 0 H VAL A 83 11.386 0.800 -18.583 1.00 0.00 H new ATOM 0 HA VAL A 83 13.063 -1.213 -19.927 1.00 0.00 H new ATOM 0 HB VAL A 83 10.874 -2.484 -20.109 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.383 -3.832 -18.025 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.849 -3.405 -18.939 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.425 -2.503 -17.464 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.411 -2.510 -18.089 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.259 -1.063 -17.492 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.319 -0.984 -19.001 1.00 0.00 H new ATOM 1295 N LYS A 84 11.821 -0.613 -22.099 1.00 0.00 N ATOM 1296 CA LYS A 84 11.216 -0.125 -23.343 1.00 0.00 C ATOM 1297 C LYS A 84 9.734 -0.503 -23.414 1.00 0.00 C ATOM 1298 O LYS A 84 9.296 -1.441 -22.739 1.00 0.00 O ATOM 1299 CB LYS A 84 12.002 -0.624 -24.569 1.00 0.00 C ATOM 1300 CG LYS A 84 11.947 -2.150 -24.779 1.00 0.00 C ATOM 1301 CD LYS A 84 12.803 -2.621 -25.966 1.00 0.00 C ATOM 1302 CE LYS A 84 12.281 -2.088 -27.310 1.00 0.00 C ATOM 1303 NZ LYS A 84 13.071 -2.595 -28.459 1.00 0.00 N ATOM 0 H LYS A 84 12.531 -1.332 -22.240 1.00 0.00 H new ATOM 0 HA LYS A 84 11.270 0.964 -23.349 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.613 -0.132 -25.460 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.044 -0.320 -24.466 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.287 -2.649 -23.872 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.912 -2.453 -24.941 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.832 -2.292 -25.822 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.818 -3.711 -25.991 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.237 -2.377 -27.433 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.311 -0.998 -27.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.683 -2.210 -29.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.062 -2.298 -28.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.022 -3.634 -28.483 1.00 0.00 H new ATOM 1317 N GLY A 85 8.980 0.180 -24.276 1.00 0.00 N ATOM 1318 CA GLY A 85 7.558 -0.055 -24.481 1.00 0.00 C ATOM 1319 C GLY A 85 7.216 0.198 -25.938 1.00 0.00 C ATOM 1320 O GLY A 85 7.829 -0.454 -26.808 1.00 0.00 O ATOM 1321 OXT GLY A 85 6.347 1.050 -26.207 1.00 0.00 O ATOM 0 H GLY A 85 9.353 0.927 -24.862 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.303 -1.079 -24.208 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.972 0.602 -23.838 1.00 0.00 H new