USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 957 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 47 THR OG1 : rot -123:sc= -3.7! USER MOD Set 1.2: A 73 HIS : no HE2:sc= -23.1! C(o=-27!,f=-33!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.0168 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 14 SER OG : rot 180:sc=4.87e-05 USER MOD Single : A 29 THR OG1 : rot -150:sc= -0.289 USER MOD Single : A 30 CYS SG : rot -50:sc= -9.53! USER MOD Single : A 31 THR OG1 : rot 162:sc= 0.183! USER MOD Single : A 32 THR OG1 : rot 38:sc= -8.16! USER MOD Single : A 35 ASN : amide:sc= -4.98! C(o=-5!,f=-8.2!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.119 F(o=-1.2,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 140:sc= 0 USER MOD Single : A 57 MET CE :methyl 172:sc= -8.61! (180deg=-9.59!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -10.3! C(o=-13!,f=-10!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -145:sc= -0.224 (180deg=-2.06) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.098) USER MOD Single : A 85 SER OG : rot 170:sc= -0.108 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.98) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 170:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-2.5!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.448 -13.314 -10.183 1.00 0.00 N ATOM 2 CA MET A 1 -15.327 -14.169 -9.699 1.00 0.00 C ATOM 3 C MET A 1 -14.103 -13.289 -9.414 1.00 0.00 C ATOM 4 O MET A 1 -14.224 -12.203 -8.883 1.00 0.00 O ATOM 5 CB MET A 1 -14.987 -15.212 -10.766 1.00 0.00 C ATOM 6 CG MET A 1 -14.334 -16.426 -10.103 1.00 0.00 C ATOM 7 SD MET A 1 -15.451 -17.847 -10.209 1.00 0.00 S ATOM 8 CE MET A 1 -14.879 -18.475 -11.808 1.00 0.00 C ATOM 0 H1 MET A 1 -17.327 -13.588 -9.700 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.237 -12.316 -9.978 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.563 -13.440 -11.209 1.00 0.00 H new ATOM 0 HA MET A 1 -15.621 -14.680 -8.782 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.891 -15.515 -11.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.313 -14.783 -11.507 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.388 -16.656 -10.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.107 -16.206 -9.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.446 -19.368 -12.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.027 -17.712 -12.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.820 -18.723 -11.744 1.00 0.00 H new ATOM 20 N GLN A 2 -12.927 -13.743 -9.759 1.00 0.00 N ATOM 21 CA GLN A 2 -11.712 -12.923 -9.498 1.00 0.00 C ATOM 22 C GLN A 2 -10.570 -13.395 -10.399 1.00 0.00 C ATOM 23 O GLN A 2 -9.930 -14.393 -10.130 1.00 0.00 O ATOM 24 CB GLN A 2 -11.297 -13.084 -8.034 1.00 0.00 C ATOM 25 CG GLN A 2 -11.056 -14.566 -7.734 1.00 0.00 C ATOM 26 CD GLN A 2 -11.354 -14.843 -6.259 1.00 0.00 C ATOM 27 OE1 GLN A 2 -12.492 -14.792 -5.837 1.00 0.00 O ATOM 28 NE2 GLN A 2 -10.372 -15.136 -5.452 1.00 0.00 N ATOM 0 H GLN A 2 -12.757 -14.643 -10.208 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.931 -11.876 -9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.392 -12.510 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.074 -12.691 -7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.693 -15.184 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.024 -14.831 -7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.416 -15.179 -5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.560 -15.322 -4.467 1.00 0.00 H new ATOM 37 N ARG A 3 -10.302 -12.688 -11.462 1.00 0.00 N ATOM 38 CA ARG A 3 -9.195 -13.105 -12.364 1.00 0.00 C ATOM 39 C ARG A 3 -7.988 -12.209 -12.128 1.00 0.00 C ATOM 40 O ARG A 3 -7.335 -11.755 -13.046 1.00 0.00 O ATOM 41 CB ARG A 3 -9.641 -13.002 -13.824 1.00 0.00 C ATOM 42 CG ARG A 3 -8.590 -13.656 -14.725 1.00 0.00 C ATOM 43 CD ARG A 3 -9.133 -14.981 -15.263 1.00 0.00 C ATOM 44 NE ARG A 3 -9.983 -14.720 -16.459 1.00 0.00 N ATOM 45 CZ ARG A 3 -9.507 -14.925 -17.656 1.00 0.00 C ATOM 46 NH1 ARG A 3 -9.489 -16.132 -18.154 1.00 0.00 N ATOM 47 NH2 ARG A 3 -9.046 -13.923 -18.357 1.00 0.00 N ATOM 0 H ARG A 3 -10.800 -11.843 -11.743 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.927 -14.140 -12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.605 -13.493 -13.956 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.774 -11.957 -14.102 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.339 -12.991 -15.551 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.671 -13.828 -14.164 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.309 -15.644 -15.527 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.715 -15.487 -14.493 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.938 -14.381 -16.341 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.847 -16.915 -17.607 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.117 -16.292 -19.090 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.058 -12.980 -17.968 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.674 -14.084 -19.293 1.00 0.00 H new ATOM 61 N GLY A 4 -7.691 -11.964 -10.890 1.00 0.00 N ATOM 62 CA GLY A 4 -6.522 -11.106 -10.551 1.00 0.00 C ATOM 63 C GLY A 4 -6.812 -10.333 -9.264 1.00 0.00 C ATOM 64 O GLY A 4 -7.916 -10.343 -8.763 1.00 0.00 O ATOM 0 H GLY A 4 -8.210 -12.322 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.631 -11.721 -10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.318 -10.412 -11.366 1.00 0.00 H new ATOM 68 N ILE A 5 -5.827 -9.658 -8.735 1.00 0.00 N ATOM 69 CA ILE A 5 -6.030 -8.870 -7.485 1.00 0.00 C ATOM 70 C ILE A 5 -5.121 -7.644 -7.522 1.00 0.00 C ATOM 71 O ILE A 5 -3.945 -7.726 -7.195 1.00 0.00 O ATOM 72 CB ILE A 5 -5.652 -9.713 -6.272 1.00 0.00 C ATOM 73 CG1 ILE A 5 -6.613 -10.891 -6.118 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.723 -8.840 -5.020 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.845 -12.110 -5.605 1.00 0.00 C ATOM 0 H ILE A 5 -4.883 -9.619 -9.119 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.076 -8.573 -7.414 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.642 -10.099 -6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.413 -10.633 -5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.082 -11.119 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.454 -9.434 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.029 -8.005 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.736 -8.457 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.529 -12.951 -5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.061 -12.371 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.397 -11.878 -4.639 1.00 0.00 H new ATOM 87 N VAL A 6 -5.651 -6.517 -7.923 1.00 0.00 N ATOM 88 CA VAL A 6 -4.822 -5.283 -8.005 1.00 0.00 C ATOM 89 C VAL A 6 -5.061 -4.389 -6.783 1.00 0.00 C ATOM 90 O VAL A 6 -6.162 -3.931 -6.531 1.00 0.00 O ATOM 91 CB VAL A 6 -5.195 -4.529 -9.286 1.00 0.00 C ATOM 92 CG1 VAL A 6 -6.465 -3.699 -9.068 1.00 0.00 C ATOM 93 CG2 VAL A 6 -4.046 -3.603 -9.688 1.00 0.00 C ATOM 0 H VAL A 6 -6.626 -6.401 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.767 -5.555 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.379 -5.255 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.716 -3.170 -9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.288 -4.359 -8.793 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.295 -2.977 -8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.312 -3.067 -10.599 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.859 -2.887 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.147 -4.194 -9.864 1.00 0.00 H new ATOM 103 N TRP A 7 -4.034 -4.145 -6.013 1.00 0.00 N ATOM 104 CA TRP A 7 -4.192 -3.285 -4.809 1.00 0.00 C ATOM 105 C TRP A 7 -3.612 -1.898 -5.112 1.00 0.00 C ATOM 106 O TRP A 7 -2.413 -1.717 -5.170 1.00 0.00 O ATOM 107 CB TRP A 7 -3.453 -3.926 -3.633 1.00 0.00 C ATOM 108 CG TRP A 7 -4.241 -5.106 -3.154 1.00 0.00 C ATOM 109 CD1 TRP A 7 -5.263 -5.680 -3.832 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.106 -5.861 -1.914 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.753 -6.738 -3.097 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.078 -6.891 -1.908 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.244 -5.760 -0.806 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.194 -7.784 -0.850 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.361 -6.663 0.266 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.335 -7.672 0.240 1.00 0.00 C ATOM 0 H TRP A 7 -3.092 -4.505 -6.168 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.246 -3.184 -4.550 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.455 -4.238 -3.939 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.328 -3.203 -2.827 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.635 -5.360 -4.794 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.523 -7.335 -3.398 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.490 -4.987 -0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.945 -8.560 -0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.697 -6.579 1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.419 -8.363 1.066 1.00 0.00 H new ATOM 127 N VAL A 8 -4.454 -0.925 -5.342 1.00 0.00 N ATOM 128 CA VAL A 8 -3.953 0.441 -5.681 1.00 0.00 C ATOM 129 C VAL A 8 -3.931 1.347 -4.445 1.00 0.00 C ATOM 130 O VAL A 8 -4.763 1.248 -3.570 1.00 0.00 O ATOM 131 CB VAL A 8 -4.886 1.061 -6.721 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.388 2.458 -7.090 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.916 0.181 -7.973 1.00 0.00 C ATOM 0 H VAL A 8 -5.469 -1.017 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.937 0.351 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.891 1.134 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.055 2.898 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.372 3.086 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.382 2.388 -7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.582 0.624 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.911 0.104 -8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.277 -0.813 -7.710 1.00 0.00 H new ATOM 143 N VAL A 9 -2.994 2.254 -4.391 1.00 0.00 N ATOM 144 CA VAL A 9 -2.924 3.201 -3.242 1.00 0.00 C ATOM 145 C VAL A 9 -2.962 4.624 -3.801 1.00 0.00 C ATOM 146 O VAL A 9 -2.230 4.954 -4.718 1.00 0.00 O ATOM 147 CB VAL A 9 -1.625 2.985 -2.464 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.444 3.517 -3.276 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.708 3.731 -1.131 1.00 0.00 C ATOM 0 H VAL A 9 -2.270 2.380 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.762 3.035 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.482 1.920 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.480 3.362 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.388 2.987 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.581 4.582 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.785 3.581 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.850 4.795 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.549 3.349 -0.552 1.00 0.00 H new ATOM 159 N ASP A 10 -3.822 5.464 -3.292 1.00 0.00 N ATOM 160 CA ASP A 10 -3.900 6.841 -3.851 1.00 0.00 C ATOM 161 C ASP A 10 -3.978 7.900 -2.747 1.00 0.00 C ATOM 162 O ASP A 10 -3.010 8.583 -2.473 1.00 0.00 O ATOM 163 CB ASP A 10 -5.135 6.935 -4.742 1.00 0.00 C ATOM 164 CG ASP A 10 -4.972 8.094 -5.727 1.00 0.00 C ATOM 165 OD1 ASP A 10 -3.882 8.249 -6.254 1.00 0.00 O ATOM 166 OD2 ASP A 10 -5.940 8.806 -5.941 1.00 0.00 O ATOM 0 H ASP A 10 -4.464 5.260 -2.526 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.994 7.034 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.276 6.000 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.025 7.086 -4.132 1.00 0.00 H new ATOM 171 N ASP A 11 -5.116 8.080 -2.133 1.00 0.00 N ATOM 172 CA ASP A 11 -5.214 9.138 -1.085 1.00 0.00 C ATOM 173 C ASP A 11 -6.214 8.755 0.013 1.00 0.00 C ATOM 174 O ASP A 11 -5.835 8.502 1.137 1.00 0.00 O ATOM 175 CB ASP A 11 -5.674 10.442 -1.741 1.00 0.00 C ATOM 176 CG ASP A 11 -5.684 11.564 -0.701 1.00 0.00 C ATOM 177 OD1 ASP A 11 -5.312 11.301 0.431 1.00 0.00 O ATOM 178 OD2 ASP A 11 -6.065 12.668 -1.054 1.00 0.00 O ATOM 0 H ASP A 11 -5.970 7.550 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.233 9.256 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.008 10.701 -2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.670 10.316 -2.165 1.00 0.00 H new ATOM 183 N ASP A 12 -7.488 8.754 -0.285 1.00 0.00 N ATOM 184 CA ASP A 12 -8.497 8.429 0.769 1.00 0.00 C ATOM 185 C ASP A 12 -9.284 7.169 0.409 1.00 0.00 C ATOM 186 O ASP A 12 -9.093 6.572 -0.631 1.00 0.00 O ATOM 187 CB ASP A 12 -9.467 9.603 0.911 1.00 0.00 C ATOM 188 CG ASP A 12 -9.413 10.138 2.343 1.00 0.00 C ATOM 189 OD1 ASP A 12 -8.396 10.708 2.703 1.00 0.00 O ATOM 190 OD2 ASP A 12 -10.388 9.968 3.055 1.00 0.00 O ATOM 0 H ASP A 12 -7.872 8.963 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.972 8.251 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.205 10.392 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.480 9.283 0.669 1.00 0.00 H new ATOM 195 N SER A 13 -10.171 6.764 1.279 1.00 0.00 N ATOM 196 CA SER A 13 -10.986 5.543 1.019 1.00 0.00 C ATOM 197 C SER A 13 -11.919 5.785 -0.169 1.00 0.00 C ATOM 198 O SER A 13 -12.331 4.860 -0.839 1.00 0.00 O ATOM 199 CB SER A 13 -11.814 5.209 2.259 1.00 0.00 C ATOM 200 OG SER A 13 -12.333 6.410 2.817 1.00 0.00 O ATOM 0 H SER A 13 -10.367 7.231 2.165 1.00 0.00 H new ATOM 0 HA SER A 13 -10.322 4.710 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.629 4.535 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.197 4.691 2.993 1.00 0.00 H new ATOM 0 HG SER A 13 -12.866 6.198 3.612 1.00 0.00 H new ATOM 206 N SER A 14 -12.255 7.017 -0.444 1.00 0.00 N ATOM 207 CA SER A 14 -13.154 7.295 -1.599 1.00 0.00 C ATOM 208 C SER A 14 -12.453 6.838 -2.876 1.00 0.00 C ATOM 209 O SER A 14 -13.083 6.509 -3.862 1.00 0.00 O ATOM 210 CB SER A 14 -13.448 8.794 -1.679 1.00 0.00 C ATOM 211 OG SER A 14 -12.227 9.517 -1.611 1.00 0.00 O ATOM 0 H SER A 14 -11.948 7.838 0.078 1.00 0.00 H new ATOM 0 HA SER A 14 -14.096 6.760 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.969 9.025 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.106 9.091 -0.862 1.00 0.00 H new ATOM 0 HG SER A 14 -12.412 10.478 -1.664 1.00 0.00 H new ATOM 217 N ILE A 15 -11.149 6.798 -2.857 1.00 0.00 N ATOM 218 CA ILE A 15 -10.401 6.343 -4.060 1.00 0.00 C ATOM 219 C ILE A 15 -10.706 4.864 -4.275 1.00 0.00 C ATOM 220 O ILE A 15 -10.749 4.378 -5.388 1.00 0.00 O ATOM 221 CB ILE A 15 -8.894 6.554 -3.836 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.560 8.038 -4.017 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.094 5.733 -4.851 1.00 0.00 C ATOM 224 CD1 ILE A 15 -9.557 8.892 -3.232 1.00 0.00 C ATOM 0 H ILE A 15 -10.570 7.061 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.701 6.913 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.634 6.233 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.546 8.237 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.594 8.302 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.028 5.888 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.330 4.676 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.354 6.050 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.315 9.947 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.566 8.702 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.501 8.636 -2.174 1.00 0.00 H new ATOM 236 N ARG A 16 -10.946 4.151 -3.211 1.00 0.00 N ATOM 237 CA ARG A 16 -11.280 2.709 -3.340 1.00 0.00 C ATOM 238 C ARG A 16 -12.565 2.597 -4.146 1.00 0.00 C ATOM 239 O ARG A 16 -12.656 1.851 -5.102 1.00 0.00 O ATOM 240 CB ARG A 16 -11.498 2.104 -1.952 1.00 0.00 C ATOM 241 CG ARG A 16 -12.056 0.687 -2.096 1.00 0.00 C ATOM 242 CD ARG A 16 -12.011 -0.021 -0.740 1.00 0.00 C ATOM 243 NE ARG A 16 -12.817 0.748 0.248 1.00 0.00 N ATOM 244 CZ ARG A 16 -13.601 0.118 1.079 1.00 0.00 C ATOM 245 NH1 ARG A 16 -14.373 -0.841 0.647 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.615 0.450 2.342 1.00 0.00 N ATOM 0 H ARG A 16 -10.925 4.507 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.468 2.175 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.558 2.082 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.189 2.722 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.081 0.724 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.474 0.129 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.401 -1.034 -0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.980 -0.107 -0.396 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.756 1.766 0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.363 -1.098 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.986 -1.334 1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.013 1.202 2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.228 -0.042 2.992 1.00 0.00 H new ATOM 260 N TRP A 17 -13.559 3.354 -3.776 1.00 0.00 N ATOM 261 CA TRP A 17 -14.835 3.317 -4.526 1.00 0.00 C ATOM 262 C TRP A 17 -14.517 3.444 -6.015 1.00 0.00 C ATOM 263 O TRP A 17 -14.756 2.538 -6.785 1.00 0.00 O ATOM 264 CB TRP A 17 -15.718 4.487 -4.085 1.00 0.00 C ATOM 265 CG TRP A 17 -17.115 4.279 -4.574 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.954 3.311 -4.139 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.851 5.038 -5.577 1.00 0.00 C ATOM 268 NE1 TRP A 17 -19.158 3.428 -4.812 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.143 4.479 -5.708 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.524 6.150 -6.376 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.080 5.000 -6.602 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.464 6.678 -7.277 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.740 6.105 -7.388 1.00 0.00 C ATOM 0 H TRP A 17 -13.539 3.997 -2.984 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.363 2.383 -4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.712 4.570 -2.998 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.321 5.423 -4.478 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.722 2.569 -3.390 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.958 2.813 -4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -16.545 6.600 -6.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.060 4.553 -6.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -18.203 7.530 -7.888 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.459 6.517 -8.080 1.00 0.00 H new ATOM 284 N VAL A 18 -13.999 4.573 -6.424 1.00 0.00 N ATOM 285 CA VAL A 18 -13.680 4.776 -7.869 1.00 0.00 C ATOM 286 C VAL A 18 -13.098 3.491 -8.473 1.00 0.00 C ATOM 287 O VAL A 18 -13.713 2.822 -9.287 1.00 0.00 O ATOM 288 CB VAL A 18 -12.636 5.887 -7.978 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.071 5.927 -9.400 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.292 7.231 -7.653 1.00 0.00 C ATOM 0 H VAL A 18 -13.783 5.365 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.590 5.040 -8.408 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.826 5.694 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.327 6.720 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.605 4.970 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.878 6.120 -10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.550 8.026 -7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.101 7.421 -8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.692 7.205 -6.639 1.00 0.00 H new ATOM 300 N LEU A 19 -11.899 3.160 -8.080 1.00 0.00 N ATOM 301 CA LEU A 19 -11.221 1.942 -8.608 1.00 0.00 C ATOM 302 C LEU A 19 -12.186 0.752 -8.623 1.00 0.00 C ATOM 303 O LEU A 19 -12.652 0.340 -9.666 1.00 0.00 O ATOM 304 CB LEU A 19 -10.021 1.620 -7.715 1.00 0.00 C ATOM 305 CG LEU A 19 -8.737 1.649 -8.547 1.00 0.00 C ATOM 306 CD1 LEU A 19 -8.707 0.440 -9.484 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.693 2.937 -9.371 1.00 0.00 C ATOM 0 H LEU A 19 -11.351 3.691 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.890 2.129 -9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.956 2.343 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.148 0.638 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.873 1.613 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.792 0.461 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.737 -0.477 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.570 0.473 -10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.779 2.959 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.557 2.974 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.712 3.798 -8.702 1.00 0.00 H new ATOM 319 N GLU A 20 -12.459 0.189 -7.475 1.00 0.00 N ATOM 320 CA GLU A 20 -13.374 -0.994 -7.391 1.00 0.00 C ATOM 321 C GLU A 20 -14.461 -0.917 -8.466 1.00 0.00 C ATOM 322 O GLU A 20 -14.810 -1.905 -9.079 1.00 0.00 O ATOM 323 CB GLU A 20 -14.037 -1.023 -6.012 1.00 0.00 C ATOM 324 CG GLU A 20 -14.767 -2.354 -5.823 1.00 0.00 C ATOM 325 CD GLU A 20 -14.328 -2.993 -4.504 1.00 0.00 C ATOM 326 OE1 GLU A 20 -13.177 -3.386 -4.412 1.00 0.00 O ATOM 327 OE2 GLU A 20 -15.153 -3.081 -3.608 1.00 0.00 O ATOM 0 H GLU A 20 -12.083 0.501 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.787 -1.899 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.285 -0.895 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.739 -0.195 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.845 -2.193 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.547 -3.023 -6.655 1.00 0.00 H new ATOM 334 N ARG A 21 -15.000 0.247 -8.700 1.00 0.00 N ATOM 335 CA ARG A 21 -16.060 0.376 -9.735 1.00 0.00 C ATOM 336 C ARG A 21 -15.508 -0.103 -11.076 1.00 0.00 C ATOM 337 O ARG A 21 -16.041 -1.004 -11.693 1.00 0.00 O ATOM 338 CB ARG A 21 -16.491 1.839 -9.851 1.00 0.00 C ATOM 339 CG ARG A 21 -17.927 1.989 -9.346 1.00 0.00 C ATOM 340 CD ARG A 21 -18.233 3.468 -9.111 1.00 0.00 C ATOM 341 NE ARG A 21 -18.623 4.104 -10.401 1.00 0.00 N ATOM 342 CZ ARG A 21 -18.095 5.244 -10.753 1.00 0.00 C ATOM 343 NH1 ARG A 21 -16.824 5.313 -11.043 1.00 0.00 N ATOM 344 NH2 ARG A 21 -18.839 6.315 -10.816 1.00 0.00 N ATOM 0 H ARG A 21 -14.752 1.112 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.922 -0.229 -9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.822 2.474 -9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.422 2.168 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.625 1.573 -10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.059 1.428 -8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.038 3.573 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.359 3.970 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.303 3.648 -11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.244 4.476 -10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.411 6.204 -11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.832 6.260 -10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.427 7.207 -11.091 1.00 0.00 H new ATOM 358 N ALA A 22 -14.437 0.487 -11.528 1.00 0.00 N ATOM 359 CA ALA A 22 -13.846 0.056 -12.827 1.00 0.00 C ATOM 360 C ALA A 22 -13.262 -1.354 -12.683 1.00 0.00 C ATOM 361 O ALA A 22 -12.829 -1.957 -13.644 1.00 0.00 O ATOM 362 CB ALA A 22 -12.736 1.029 -13.229 1.00 0.00 C ATOM 0 H ALA A 22 -13.946 1.247 -11.057 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.621 0.050 -13.594 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.303 0.715 -14.179 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.151 2.031 -13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.962 1.035 -12.462 1.00 0.00 H new ATOM 368 N LEU A 23 -13.248 -1.882 -11.489 1.00 0.00 N ATOM 369 CA LEU A 23 -12.692 -3.247 -11.279 1.00 0.00 C ATOM 370 C LEU A 23 -13.832 -4.268 -11.234 1.00 0.00 C ATOM 371 O LEU A 23 -13.612 -5.468 -11.300 1.00 0.00 O ATOM 372 CB LEU A 23 -11.941 -3.273 -9.954 1.00 0.00 C ATOM 373 CG LEU A 23 -10.486 -3.667 -10.200 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.444 -4.981 -10.978 1.00 0.00 C ATOM 375 CD2 LEU A 23 -9.790 -2.573 -11.013 1.00 0.00 C ATOM 0 H LEU A 23 -13.599 -1.424 -10.648 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.017 -3.498 -12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.988 -2.294 -9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.410 -3.982 -9.272 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.975 -3.789 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.407 -5.266 -11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.941 -5.761 -10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.954 -4.855 -11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.752 -2.855 -11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.299 -2.451 -11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.823 -1.633 -10.462 1.00 0.00 H new ATOM 387 N ALA A 24 -15.049 -3.804 -11.125 1.00 0.00 N ATOM 388 CA ALA A 24 -16.205 -4.741 -11.087 1.00 0.00 C ATOM 389 C ALA A 24 -16.411 -5.312 -12.488 1.00 0.00 C ATOM 390 O ALA A 24 -16.562 -6.504 -12.670 1.00 0.00 O ATOM 391 CB ALA A 24 -17.464 -3.991 -10.646 1.00 0.00 C ATOM 0 H ALA A 24 -15.290 -2.815 -11.061 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.009 -5.547 -10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.308 -4.681 -10.620 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.308 -3.570 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.674 -3.187 -11.351 1.00 0.00 H new ATOM 397 N GLY A 25 -16.400 -4.468 -13.482 1.00 0.00 N ATOM 398 CA GLY A 25 -16.573 -4.958 -14.875 1.00 0.00 C ATOM 399 C GLY A 25 -15.384 -5.849 -15.225 1.00 0.00 C ATOM 400 O GLY A 25 -15.507 -6.816 -15.951 1.00 0.00 O ATOM 0 H GLY A 25 -16.278 -3.460 -13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.505 -5.516 -14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.634 -4.118 -15.567 1.00 0.00 H new ATOM 404 N ALA A 26 -14.231 -5.535 -14.696 1.00 0.00 N ATOM 405 CA ALA A 26 -13.029 -6.364 -14.976 1.00 0.00 C ATOM 406 C ALA A 26 -13.148 -7.680 -14.204 1.00 0.00 C ATOM 407 O ALA A 26 -12.582 -8.687 -14.577 1.00 0.00 O ATOM 408 CB ALA A 26 -11.776 -5.611 -14.523 1.00 0.00 C ATOM 0 H ALA A 26 -14.073 -4.737 -14.081 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.956 -6.569 -16.044 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.893 -6.217 -14.727 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.702 -4.668 -15.065 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.839 -5.411 -13.453 1.00 0.00 H new ATOM 414 N GLY A 27 -13.896 -7.674 -13.133 1.00 0.00 N ATOM 415 CA GLY A 27 -14.076 -8.919 -12.334 1.00 0.00 C ATOM 416 C GLY A 27 -12.771 -9.291 -11.623 1.00 0.00 C ATOM 417 O GLY A 27 -12.202 -10.334 -11.870 1.00 0.00 O ATOM 0 H GLY A 27 -14.392 -6.857 -12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.869 -8.776 -11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.388 -9.735 -12.986 1.00 0.00 H new ATOM 421 N LEU A 28 -12.296 -8.456 -10.737 1.00 0.00 N ATOM 422 CA LEU A 28 -11.030 -8.788 -10.012 1.00 0.00 C ATOM 423 C LEU A 28 -11.125 -8.329 -8.561 1.00 0.00 C ATOM 424 O LEU A 28 -12.129 -7.812 -8.115 1.00 0.00 O ATOM 425 CB LEU A 28 -9.853 -8.071 -10.668 1.00 0.00 C ATOM 426 CG LEU A 28 -9.005 -9.080 -11.439 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.668 -9.379 -12.783 1.00 0.00 C ATOM 428 CD2 LEU A 28 -7.609 -8.496 -11.671 1.00 0.00 C ATOM 0 H LEU A 28 -12.724 -7.565 -10.484 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.881 -9.867 -10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.216 -7.295 -11.342 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.247 -7.576 -9.909 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.921 -10.003 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.064 -10.099 -13.335 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.662 -9.793 -12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.752 -8.458 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.001 -9.214 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.691 -7.574 -12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.139 -8.284 -10.711 1.00 0.00 H new ATOM 440 N THR A 29 -10.059 -8.496 -7.838 1.00 0.00 N ATOM 441 CA THR A 29 -10.030 -8.053 -6.416 1.00 0.00 C ATOM 442 C THR A 29 -9.476 -6.634 -6.395 1.00 0.00 C ATOM 443 O THR A 29 -8.284 -6.417 -6.518 1.00 0.00 O ATOM 444 CB THR A 29 -9.126 -8.981 -5.597 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.730 -10.263 -5.498 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.919 -8.405 -4.189 1.00 0.00 C ATOM 0 H THR A 29 -9.196 -8.925 -8.172 1.00 0.00 H new ATOM 0 HA THR A 29 -11.029 -8.084 -5.981 1.00 0.00 H new ATOM 0 HB THR A 29 -8.160 -9.067 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.463 -10.686 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.275 -9.071 -3.614 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.451 -7.423 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.883 -8.311 -3.689 1.00 0.00 H new ATOM 454 N CYS A 30 -10.334 -5.664 -6.282 1.00 0.00 N ATOM 455 CA CYS A 30 -9.873 -4.261 -6.296 1.00 0.00 C ATOM 456 C CYS A 30 -9.684 -3.750 -4.873 1.00 0.00 C ATOM 457 O CYS A 30 -10.579 -3.177 -4.285 1.00 0.00 O ATOM 458 CB CYS A 30 -10.935 -3.428 -6.990 1.00 0.00 C ATOM 459 SG CYS A 30 -10.235 -1.836 -7.478 1.00 0.00 S ATOM 0 H CYS A 30 -11.341 -5.788 -6.180 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.919 -4.190 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -11.310 -3.956 -7.867 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.784 -3.274 -6.324 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.628 -1.299 -6.461 1.00 0.00 H new ATOM 465 N THR A 31 -8.522 -3.931 -4.318 1.00 0.00 N ATOM 466 CA THR A 31 -8.286 -3.430 -2.940 1.00 0.00 C ATOM 467 C THR A 31 -7.541 -2.107 -3.046 1.00 0.00 C ATOM 468 O THR A 31 -6.696 -1.934 -3.898 1.00 0.00 O ATOM 469 CB THR A 31 -7.451 -4.439 -2.155 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.861 -5.757 -2.504 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.654 -4.217 -0.658 1.00 0.00 C ATOM 0 H THR A 31 -7.730 -4.401 -4.756 1.00 0.00 H new ATOM 0 HA THR A 31 -9.233 -3.291 -2.418 1.00 0.00 H new ATOM 0 HB THR A 31 -6.396 -4.309 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.167 -6.396 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.057 -4.938 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.342 -3.206 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.707 -4.348 -0.410 1.00 0.00 H new ATOM 479 N THR A 32 -7.848 -1.159 -2.218 1.00 0.00 N ATOM 480 CA THR A 32 -7.141 0.140 -2.327 1.00 0.00 C ATOM 481 C THR A 32 -6.711 0.621 -0.946 1.00 0.00 C ATOM 482 O THR A 32 -7.145 0.113 0.068 1.00 0.00 O ATOM 483 CB THR A 32 -8.072 1.172 -2.955 1.00 0.00 C ATOM 484 OG1 THR A 32 -9.417 0.820 -2.672 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.859 1.204 -4.469 1.00 0.00 C ATOM 0 H THR A 32 -8.548 -1.223 -1.479 1.00 0.00 H new ATOM 0 HA THR A 32 -6.256 0.012 -2.951 1.00 0.00 H new ATOM 0 HB THR A 32 -7.856 2.157 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.477 0.461 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.526 1.942 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.825 1.472 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.075 0.221 -4.888 1.00 0.00 H new ATOM 493 N PHE A 33 -5.864 1.605 -0.904 1.00 0.00 N ATOM 494 CA PHE A 33 -5.403 2.132 0.405 1.00 0.00 C ATOM 495 C PHE A 33 -5.316 3.652 0.319 1.00 0.00 C ATOM 496 O PHE A 33 -5.454 4.235 -0.739 1.00 0.00 O ATOM 497 CB PHE A 33 -4.026 1.552 0.728 1.00 0.00 C ATOM 498 CG PHE A 33 -4.188 0.186 1.358 1.00 0.00 C ATOM 499 CD1 PHE A 33 -4.489 0.075 2.721 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.036 -0.968 0.578 1.00 0.00 C ATOM 501 CE1 PHE A 33 -4.640 -1.188 3.304 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.187 -2.231 1.162 1.00 0.00 C ATOM 503 CZ PHE A 33 -4.488 -2.342 2.524 1.00 0.00 C ATOM 0 H PHE A 33 -5.469 2.069 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.103 1.848 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.429 1.476 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.490 2.216 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.605 0.965 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.803 -0.883 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.874 -1.273 4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.071 -3.121 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.603 -3.317 2.974 1.00 0.00 H new ATOM 513 N GLU A 34 -5.087 4.302 1.420 1.00 0.00 N ATOM 514 CA GLU A 34 -4.990 5.787 1.395 1.00 0.00 C ATOM 515 C GLU A 34 -3.521 6.191 1.529 1.00 0.00 C ATOM 516 O GLU A 34 -3.154 7.327 1.303 1.00 0.00 O ATOM 517 CB GLU A 34 -5.796 6.389 2.557 1.00 0.00 C ATOM 518 CG GLU A 34 -6.041 5.336 3.641 1.00 0.00 C ATOM 519 CD GLU A 34 -6.982 5.908 4.703 1.00 0.00 C ATOM 520 OE1 GLU A 34 -7.676 6.864 4.397 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.992 5.382 5.804 1.00 0.00 O ATOM 0 H GLU A 34 -4.963 3.872 2.337 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.395 6.161 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.257 7.237 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.749 6.769 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.475 4.439 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.096 5.042 4.097 1.00 0.00 H new ATOM 528 N ASN A 35 -2.675 5.266 1.900 1.00 0.00 N ATOM 529 CA ASN A 35 -1.230 5.593 2.055 1.00 0.00 C ATOM 530 C ASN A 35 -0.382 4.457 1.474 1.00 0.00 C ATOM 531 O ASN A 35 -0.665 3.292 1.674 1.00 0.00 O ATOM 532 CB ASN A 35 -0.908 5.763 3.540 1.00 0.00 C ATOM 533 CG ASN A 35 -1.274 7.180 3.984 1.00 0.00 C ATOM 534 OD1 ASN A 35 -1.685 7.994 3.181 1.00 0.00 O ATOM 535 ND2 ASN A 35 -1.142 7.513 5.239 1.00 0.00 N ATOM 0 H ASN A 35 -2.924 4.298 2.102 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.006 6.518 1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.462 5.032 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.152 5.578 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.384 8.456 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.797 6.831 5.914 1.00 0.00 H new ATOM 542 N GLY A 36 0.657 4.788 0.753 1.00 0.00 N ATOM 543 CA GLY A 36 1.524 3.732 0.155 1.00 0.00 C ATOM 544 C GLY A 36 2.027 2.790 1.250 1.00 0.00 C ATOM 545 O GLY A 36 1.937 1.584 1.133 1.00 0.00 O ATOM 0 H GLY A 36 0.943 5.746 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.964 3.169 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.369 4.191 -0.359 1.00 0.00 H new ATOM 549 N ASN A 37 2.560 3.328 2.313 1.00 0.00 N ATOM 550 CA ASN A 37 3.070 2.455 3.404 1.00 0.00 C ATOM 551 C ASN A 37 1.980 1.447 3.777 1.00 0.00 C ATOM 552 O ASN A 37 2.111 0.267 3.539 1.00 0.00 O ATOM 553 CB ASN A 37 3.412 3.311 4.626 1.00 0.00 C ATOM 554 CG ASN A 37 3.629 2.409 5.841 1.00 0.00 C ATOM 555 OD1 ASN A 37 2.627 2.159 6.640 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 4.720 1.926 6.069 1.00 0.00 N flip ATOM 0 H ASN A 37 2.663 4.330 2.471 1.00 0.00 H new ATOM 0 HA ASN A 37 3.965 1.930 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.310 3.898 4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.606 4.018 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.504 2.120 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.852 1.326 6.883 1.00 0.00 H new ATOM 563 N GLU A 38 0.916 1.912 4.380 1.00 0.00 N ATOM 564 CA GLU A 38 -0.192 1.000 4.793 1.00 0.00 C ATOM 565 C GLU A 38 -0.384 -0.119 3.765 1.00 0.00 C ATOM 566 O GLU A 38 -0.587 -1.260 4.120 1.00 0.00 O ATOM 567 CB GLU A 38 -1.490 1.802 4.894 1.00 0.00 C ATOM 568 CG GLU A 38 -2.301 1.309 6.093 1.00 0.00 C ATOM 569 CD GLU A 38 -2.412 2.427 7.132 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.702 3.408 6.996 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.208 2.282 8.047 1.00 0.00 O ATOM 0 H GLU A 38 0.767 2.895 4.606 1.00 0.00 H new ATOM 0 HA GLU A 38 0.062 0.558 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.267 2.863 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.071 1.691 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.295 0.999 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.822 0.435 6.534 1.00 0.00 H new ATOM 578 N VAL A 39 -0.329 0.197 2.495 1.00 0.00 N ATOM 579 CA VAL A 39 -0.511 -0.844 1.453 1.00 0.00 C ATOM 580 C VAL A 39 0.460 -1.990 1.723 1.00 0.00 C ATOM 581 O VAL A 39 0.065 -3.133 1.838 1.00 0.00 O ATOM 582 CB VAL A 39 -0.240 -0.208 0.093 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.539 -1.210 -1.013 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.143 1.014 -0.084 1.00 0.00 C ATOM 0 H VAL A 39 -0.165 1.139 2.139 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.526 -1.242 1.466 1.00 0.00 H new ATOM 0 HB VAL A 39 0.807 0.092 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.344 -0.751 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.098 -2.086 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.585 -1.511 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.951 1.470 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.187 0.706 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.935 1.737 0.704 1.00 0.00 H new ATOM 594 N LEU A 40 1.722 -1.698 1.855 1.00 0.00 N ATOM 595 CA LEU A 40 2.692 -2.780 2.160 1.00 0.00 C ATOM 596 C LEU A 40 2.307 -3.375 3.512 1.00 0.00 C ATOM 597 O LEU A 40 2.523 -4.540 3.778 1.00 0.00 O ATOM 598 CB LEU A 40 4.104 -2.202 2.225 1.00 0.00 C ATOM 599 CG LEU A 40 4.758 -2.322 0.850 1.00 0.00 C ATOM 600 CD1 LEU A 40 6.167 -1.734 0.905 1.00 0.00 C ATOM 601 CD2 LEU A 40 4.836 -3.797 0.449 1.00 0.00 C ATOM 0 H LEU A 40 2.121 -0.763 1.765 1.00 0.00 H new ATOM 0 HA LEU A 40 2.672 -3.548 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.069 -1.157 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.695 -2.735 2.970 1.00 0.00 H new ATOM 0 HG LEU A 40 4.164 -1.777 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.635 -1.819 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.112 -0.684 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.760 -2.279 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.303 -3.883 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.430 -4.343 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.831 -4.217 0.411 1.00 0.00 H new ATOM 613 N ALA A 41 1.706 -2.584 4.359 1.00 0.00 N ATOM 614 CA ALA A 41 1.270 -3.106 5.680 1.00 0.00 C ATOM 615 C ALA A 41 0.261 -4.222 5.422 1.00 0.00 C ATOM 616 O ALA A 41 0.211 -5.211 6.127 1.00 0.00 O ATOM 617 CB ALA A 41 0.612 -1.981 6.481 1.00 0.00 C ATOM 0 H ALA A 41 1.499 -1.599 4.191 1.00 0.00 H new ATOM 0 HA ALA A 41 2.119 -3.485 6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.292 -2.364 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.328 -1.172 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.253 -1.604 5.936 1.00 0.00 H new ATOM 623 N ALA A 42 -0.525 -4.076 4.390 1.00 0.00 N ATOM 624 CA ALA A 42 -1.514 -5.128 4.047 1.00 0.00 C ATOM 625 C ALA A 42 -0.749 -6.351 3.560 1.00 0.00 C ATOM 626 O ALA A 42 -1.076 -7.472 3.896 1.00 0.00 O ATOM 627 CB ALA A 42 -2.441 -4.625 2.937 1.00 0.00 C ATOM 0 H ALA A 42 -0.522 -3.267 3.768 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.118 -5.379 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.165 -5.401 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.967 -3.733 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.852 -4.382 2.053 1.00 0.00 H new ATOM 633 N LEU A 43 0.283 -6.141 2.783 1.00 0.00 N ATOM 634 CA LEU A 43 1.088 -7.295 2.293 1.00 0.00 C ATOM 635 C LEU A 43 1.302 -8.266 3.441 1.00 0.00 C ATOM 636 O LEU A 43 0.805 -9.357 3.393 1.00 0.00 O ATOM 637 CB LEU A 43 2.444 -6.809 1.782 1.00 0.00 C ATOM 638 CG LEU A 43 3.369 -8.012 1.587 1.00 0.00 C ATOM 639 CD1 LEU A 43 4.018 -7.938 0.209 1.00 0.00 C ATOM 640 CD2 LEU A 43 4.458 -7.997 2.660 1.00 0.00 C ATOM 0 H LEU A 43 0.600 -5.224 2.469 1.00 0.00 H new ATOM 0 HA LEU A 43 0.558 -7.787 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.321 -6.274 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.884 -6.108 2.492 1.00 0.00 H new ATOM 0 HG LEU A 43 2.789 -8.931 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.677 -8.795 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.244 -7.947 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.598 -7.018 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.117 -8.854 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.037 -7.077 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.997 -8.049 3.647 1.00 0.00 H new ATOM 652 N ALA A 44 2.028 -7.843 4.458 1.00 0.00 N ATOM 653 CA ALA A 44 2.315 -8.690 5.666 1.00 0.00 C ATOM 654 C ALA A 44 2.304 -10.170 5.303 1.00 0.00 C ATOM 655 O ALA A 44 3.329 -10.813 5.198 1.00 0.00 O ATOM 656 CB ALA A 44 1.254 -8.417 6.733 1.00 0.00 C ATOM 0 H ALA A 44 2.446 -6.914 4.499 1.00 0.00 H new ATOM 0 HA ALA A 44 3.304 -8.436 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.456 -9.029 7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.280 -7.363 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.269 -8.664 6.338 1.00 0.00 H new ATOM 662 N SER A 45 1.145 -10.693 5.085 1.00 0.00 N ATOM 663 CA SER A 45 1.009 -12.121 4.693 1.00 0.00 C ATOM 664 C SER A 45 1.189 -12.251 3.173 1.00 0.00 C ATOM 665 O SER A 45 0.658 -13.152 2.557 1.00 0.00 O ATOM 666 CB SER A 45 -0.377 -12.628 5.089 1.00 0.00 C ATOM 667 OG SER A 45 -1.291 -11.538 5.086 1.00 0.00 O ATOM 0 H SER A 45 0.263 -10.186 5.162 1.00 0.00 H new ATOM 0 HA SER A 45 1.770 -12.713 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.708 -13.398 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.341 -13.086 6.078 1.00 0.00 H new ATOM 0 HG SER A 45 -2.182 -11.858 5.338 1.00 0.00 H new ATOM 673 N LYS A 46 1.932 -11.343 2.575 1.00 0.00 N ATOM 674 CA LYS A 46 2.178 -11.378 1.099 1.00 0.00 C ATOM 675 C LYS A 46 1.007 -10.735 0.353 1.00 0.00 C ATOM 676 O LYS A 46 -0.144 -10.988 0.646 1.00 0.00 O ATOM 677 CB LYS A 46 2.379 -12.822 0.620 1.00 0.00 C ATOM 678 CG LYS A 46 3.807 -12.993 0.105 1.00 0.00 C ATOM 679 CD LYS A 46 4.621 -13.771 1.141 1.00 0.00 C ATOM 680 CE LYS A 46 5.997 -14.109 0.566 1.00 0.00 C ATOM 681 NZ LYS A 46 6.185 -15.587 0.566 1.00 0.00 N ATOM 0 H LYS A 46 2.384 -10.568 3.060 1.00 0.00 H new ATOM 0 HA LYS A 46 3.086 -10.813 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.190 -13.517 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.665 -13.057 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.803 -13.524 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.261 -12.019 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.731 -13.180 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.097 -14.686 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.085 -13.720 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.778 -13.632 1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.121 -15.818 0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.119 -15.945 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.447 -16.031 -0.017 1.00 0.00 H new ATOM 695 N THR A 47 1.301 -9.897 -0.608 1.00 0.00 N ATOM 696 CA THR A 47 0.212 -9.224 -1.377 1.00 0.00 C ATOM 697 C THR A 47 -0.585 -10.276 -2.156 1.00 0.00 C ATOM 698 O THR A 47 -0.707 -11.401 -1.715 1.00 0.00 O ATOM 699 CB THR A 47 0.814 -8.199 -2.347 1.00 0.00 C ATOM 700 OG1 THR A 47 2.231 -8.205 -2.236 1.00 0.00 O ATOM 701 CG2 THR A 47 0.279 -6.807 -2.006 1.00 0.00 C ATOM 0 H THR A 47 2.249 -9.650 -0.893 1.00 0.00 H new ATOM 0 HA THR A 47 -0.453 -8.706 -0.686 1.00 0.00 H new ATOM 0 HB THR A 47 0.535 -8.459 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.545 -7.305 -2.008 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.704 -6.075 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.807 -6.802 -2.098 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.558 -6.550 -0.984 1.00 0.00 H new ATOM 709 N PRO A 48 -1.113 -9.880 -3.291 1.00 0.00 N ATOM 710 CA PRO A 48 -1.895 -10.874 -4.059 1.00 0.00 C ATOM 711 C PRO A 48 -1.383 -11.013 -5.501 1.00 0.00 C ATOM 712 O PRO A 48 -0.627 -11.916 -5.800 1.00 0.00 O ATOM 713 CB PRO A 48 -3.318 -10.335 -4.045 1.00 0.00 C ATOM 714 CG PRO A 48 -3.203 -8.824 -3.804 1.00 0.00 C ATOM 715 CD PRO A 48 -1.835 -8.591 -3.154 1.00 0.00 C ATOM 0 HA PRO A 48 -1.817 -11.870 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.821 -10.541 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.906 -10.810 -3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.286 -8.274 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.006 -8.472 -3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.296 -7.784 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.940 -8.308 -2.107 1.00 0.00 H new ATOM 723 N ASP A 49 -1.801 -10.164 -6.419 1.00 0.00 N ATOM 724 CA ASP A 49 -1.323 -10.343 -7.823 1.00 0.00 C ATOM 725 C ASP A 49 -0.433 -9.170 -8.279 1.00 0.00 C ATOM 726 O ASP A 49 0.653 -9.382 -8.778 1.00 0.00 O ATOM 727 CB ASP A 49 -2.546 -10.540 -8.748 1.00 0.00 C ATOM 728 CG ASP A 49 -2.754 -9.355 -9.703 1.00 0.00 C ATOM 729 OD1 ASP A 49 -3.027 -8.273 -9.225 1.00 0.00 O ATOM 730 OD2 ASP A 49 -2.673 -9.565 -10.899 1.00 0.00 O ATOM 0 H ASP A 49 -2.433 -9.380 -6.259 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.694 -11.231 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.415 -11.453 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.440 -10.674 -8.140 1.00 0.00 H new ATOM 735 N VAL A 50 -0.860 -7.946 -8.121 1.00 0.00 N ATOM 736 CA VAL A 50 0.002 -6.809 -8.573 1.00 0.00 C ATOM 737 C VAL A 50 -0.248 -5.580 -7.688 1.00 0.00 C ATOM 738 O VAL A 50 -1.334 -5.370 -7.188 1.00 0.00 O ATOM 739 CB VAL A 50 -0.322 -6.486 -10.046 1.00 0.00 C ATOM 740 CG1 VAL A 50 -0.131 -4.993 -10.335 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.624 -7.277 -10.945 1.00 0.00 C ATOM 0 H VAL A 50 -1.754 -7.683 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 50 1.053 -7.086 -8.488 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.361 -6.754 -10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.366 -4.792 -11.380 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.794 -4.411 -9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.903 -4.713 -10.135 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.403 -7.056 -11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.654 -6.997 -10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.491 -8.344 -10.764 1.00 0.00 H new ATOM 751 N LEU A 51 0.757 -4.764 -7.504 1.00 0.00 N ATOM 752 CA LEU A 51 0.592 -3.543 -6.662 1.00 0.00 C ATOM 753 C LEU A 51 0.409 -2.323 -7.570 1.00 0.00 C ATOM 754 O LEU A 51 0.821 -2.324 -8.711 1.00 0.00 O ATOM 755 CB LEU A 51 1.847 -3.342 -5.808 1.00 0.00 C ATOM 756 CG LEU A 51 1.449 -2.930 -4.390 1.00 0.00 C ATOM 757 CD1 LEU A 51 2.644 -3.100 -3.451 1.00 0.00 C ATOM 758 CD2 LEU A 51 1.011 -1.465 -4.391 1.00 0.00 C ATOM 0 H LEU A 51 1.687 -4.891 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.279 -3.661 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.429 -4.263 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.483 -2.577 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 51 0.627 -3.559 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.358 -2.806 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.960 -4.143 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.467 -2.472 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.727 -1.169 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.835 -0.839 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.159 -1.341 -5.059 1.00 0.00 H new ATOM 770 N LEU A 52 -0.196 -1.279 -7.070 1.00 0.00 N ATOM 771 CA LEU A 52 -0.390 -0.058 -7.903 1.00 0.00 C ATOM 772 C LEU A 52 -0.082 1.179 -7.056 1.00 0.00 C ATOM 773 O LEU A 52 -0.640 1.366 -5.994 1.00 0.00 O ATOM 774 CB LEU A 52 -1.838 0.004 -8.397 1.00 0.00 C ATOM 775 CG LEU A 52 -1.857 -0.123 -9.921 1.00 0.00 C ATOM 776 CD1 LEU A 52 -3.081 -0.928 -10.357 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.917 1.273 -10.548 1.00 0.00 C ATOM 0 H LEU A 52 -0.564 -1.219 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 52 0.279 -0.090 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.423 -0.798 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.298 0.944 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.953 -0.634 -10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.091 -1.016 -11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.040 -1.923 -9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.987 -0.420 -10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.931 1.184 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.821 1.783 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.042 1.847 -10.242 1.00 0.00 H new ATOM 789 N SER A 53 0.811 2.021 -7.506 1.00 0.00 N ATOM 790 CA SER A 53 1.151 3.235 -6.705 1.00 0.00 C ATOM 791 C SER A 53 0.707 4.502 -7.442 1.00 0.00 C ATOM 792 O SER A 53 0.955 4.668 -8.621 1.00 0.00 O ATOM 793 CB SER A 53 2.661 3.284 -6.477 1.00 0.00 C ATOM 794 OG SER A 53 3.245 2.074 -6.938 1.00 0.00 O ATOM 0 H SER A 53 1.316 1.923 -8.386 1.00 0.00 H new ATOM 0 HA SER A 53 0.632 3.184 -5.748 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.093 4.134 -7.005 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.876 3.425 -5.418 1.00 0.00 H new ATOM 0 HG SER A 53 4.091 2.271 -7.391 1.00 0.00 H new ATOM 800 N ASP A 54 0.056 5.400 -6.750 1.00 0.00 N ATOM 801 CA ASP A 54 -0.404 6.663 -7.400 1.00 0.00 C ATOM 802 C ASP A 54 0.759 7.650 -7.499 1.00 0.00 C ATOM 803 O ASP A 54 1.915 7.282 -7.438 1.00 0.00 O ATOM 804 CB ASP A 54 -1.508 7.300 -6.556 1.00 0.00 C ATOM 805 CG ASP A 54 -0.935 7.737 -5.205 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.185 6.970 -4.626 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.257 8.832 -4.775 1.00 0.00 O ATOM 0 H ASP A 54 -0.177 5.313 -5.761 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.779 6.429 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.929 8.159 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.320 6.589 -6.405 1.00 0.00 H new ATOM 812 N ILE A 55 0.450 8.910 -7.639 1.00 0.00 N ATOM 813 CA ILE A 55 1.513 9.945 -7.728 1.00 0.00 C ATOM 814 C ILE A 55 0.845 11.324 -7.732 1.00 0.00 C ATOM 815 O ILE A 55 0.561 11.889 -8.768 1.00 0.00 O ATOM 816 CB ILE A 55 2.334 9.742 -9.009 1.00 0.00 C ATOM 817 CG1 ILE A 55 3.542 10.695 -9.012 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.461 10.002 -10.239 1.00 0.00 C ATOM 819 CD1 ILE A 55 3.082 12.142 -9.216 1.00 0.00 C ATOM 0 H ILE A 55 -0.504 9.268 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 55 2.188 9.867 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 55 2.692 8.713 -9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.083 10.609 -8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.234 10.412 -9.805 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.053 9.855 -11.143 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.619 9.310 -10.240 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.089 11.026 -10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.949 12.803 -9.216 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.561 12.227 -10.170 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.408 12.427 -8.408 1.00 0.00 H new ATOM 831 N ARG A 56 0.575 11.863 -6.576 1.00 0.00 N ATOM 832 CA ARG A 56 -0.091 13.196 -6.514 1.00 0.00 C ATOM 833 C ARG A 56 -0.032 13.727 -5.079 1.00 0.00 C ATOM 834 O ARG A 56 0.729 13.250 -4.261 1.00 0.00 O ATOM 835 CB ARG A 56 -1.552 13.048 -6.947 1.00 0.00 C ATOM 836 CG ARG A 56 -2.219 11.947 -6.119 1.00 0.00 C ATOM 837 CD ARG A 56 -3.716 12.238 -5.988 1.00 0.00 C ATOM 838 NE ARG A 56 -4.267 12.617 -7.318 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.016 11.874 -8.361 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.375 10.620 -8.370 1.00 0.00 N ATOM 841 NH2 ARG A 56 -3.406 12.384 -9.395 1.00 0.00 N ATOM 0 H ARG A 56 0.786 11.440 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 56 0.418 13.894 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.081 13.991 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.605 12.803 -8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.067 10.978 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.761 11.893 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.236 11.360 -5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.879 13.043 -5.272 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.840 13.456 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.852 10.220 -7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.179 10.039 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.125 13.364 -9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.210 11.802 -10.210 1.00 0.00 H new ATOM 855 N MET A 57 -0.831 14.711 -4.766 1.00 0.00 N ATOM 856 CA MET A 57 -0.821 15.268 -3.384 1.00 0.00 C ATOM 857 C MET A 57 0.457 16.082 -3.167 1.00 0.00 C ATOM 858 O MET A 57 1.543 15.622 -3.461 1.00 0.00 O ATOM 859 CB MET A 57 -0.866 14.121 -2.372 1.00 0.00 C ATOM 860 CG MET A 57 -1.785 13.015 -2.893 1.00 0.00 C ATOM 861 SD MET A 57 -2.693 12.285 -1.509 1.00 0.00 S ATOM 862 CE MET A 57 -1.413 11.113 -0.997 1.00 0.00 C ATOM 0 H MET A 57 -1.490 15.153 -5.407 1.00 0.00 H new ATOM 0 HA MET A 57 -1.690 15.912 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.137 13.727 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.227 14.485 -1.410 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.482 13.422 -3.625 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.199 12.250 -3.402 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.704 10.644 -0.057 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.293 10.347 -1.763 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.469 11.641 -0.861 1.00 0.00 H new ATOM 872 N PRO A 58 0.280 17.267 -2.655 1.00 0.00 N ATOM 873 CA PRO A 58 1.458 18.127 -2.406 1.00 0.00 C ATOM 874 C PRO A 58 2.114 17.749 -1.076 1.00 0.00 C ATOM 875 O PRO A 58 1.600 18.042 -0.015 1.00 0.00 O ATOM 876 CB PRO A 58 0.890 19.544 -2.344 1.00 0.00 C ATOM 877 CG PRO A 58 -0.601 19.395 -1.987 1.00 0.00 C ATOM 878 CD PRO A 58 -0.997 17.957 -2.356 1.00 0.00 C ATOM 0 HA PRO A 58 2.224 18.024 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.412 20.140 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.012 20.054 -3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.766 19.583 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.205 20.117 -2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.524 17.471 -1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.664 17.941 -3.218 1.00 0.00 H new ATOM 886 N GLY A 59 3.246 17.103 -1.124 1.00 0.00 N ATOM 887 CA GLY A 59 3.931 16.708 0.139 1.00 0.00 C ATOM 888 C GLY A 59 4.120 15.190 0.167 1.00 0.00 C ATOM 889 O GLY A 59 4.595 14.596 -0.780 1.00 0.00 O ATOM 0 H GLY A 59 3.726 16.832 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.898 17.206 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.342 17.027 0.999 1.00 0.00 H new ATOM 893 N MET A 60 3.754 14.556 1.248 1.00 0.00 N ATOM 894 CA MET A 60 3.916 13.078 1.337 1.00 0.00 C ATOM 895 C MET A 60 2.541 12.406 1.308 1.00 0.00 C ATOM 896 O MET A 60 1.551 13.013 0.947 1.00 0.00 O ATOM 897 CB MET A 60 4.626 12.725 2.647 1.00 0.00 C ATOM 898 CG MET A 60 5.799 13.680 2.863 1.00 0.00 C ATOM 899 SD MET A 60 7.292 12.728 3.238 1.00 0.00 S ATOM 900 CE MET A 60 8.433 14.129 3.350 1.00 0.00 C ATOM 0 H MET A 60 3.350 14.999 2.073 1.00 0.00 H new ATOM 0 HA MET A 60 4.507 12.727 0.491 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.928 12.794 3.482 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.982 11.695 2.614 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.956 14.287 1.971 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.577 14.366 3.681 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.435 13.765 3.579 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.449 14.662 2.399 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.103 14.805 4.139 1.00 0.00 H new ATOM 910 N ASP A 61 2.477 11.155 1.685 1.00 0.00 N ATOM 911 CA ASP A 61 1.173 10.429 1.687 1.00 0.00 C ATOM 912 C ASP A 61 0.834 9.957 0.269 1.00 0.00 C ATOM 913 O ASP A 61 -0.092 9.197 0.067 1.00 0.00 O ATOM 914 CB ASP A 61 0.066 11.358 2.194 1.00 0.00 C ATOM 915 CG ASP A 61 -1.025 10.529 2.875 1.00 0.00 C ATOM 916 OD1 ASP A 61 -0.769 10.023 3.956 1.00 0.00 O ATOM 917 OD2 ASP A 61 -2.098 10.415 2.307 1.00 0.00 O ATOM 0 H ASP A 61 3.277 10.603 1.993 1.00 0.00 H new ATOM 0 HA ASP A 61 1.251 9.563 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.478 12.083 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.357 11.924 1.364 1.00 0.00 H new ATOM 922 N GLY A 62 1.573 10.399 -0.715 1.00 0.00 N ATOM 923 CA GLY A 62 1.281 9.974 -2.115 1.00 0.00 C ATOM 924 C GLY A 62 2.575 9.565 -2.819 1.00 0.00 C ATOM 925 O GLY A 62 2.647 8.526 -3.444 1.00 0.00 O ATOM 0 H GLY A 62 2.364 11.034 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.580 9.139 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.804 10.789 -2.659 1.00 0.00 H new ATOM 929 N LEU A 63 3.595 10.374 -2.738 1.00 0.00 N ATOM 930 CA LEU A 63 4.869 10.022 -3.423 1.00 0.00 C ATOM 931 C LEU A 63 5.905 9.576 -2.388 1.00 0.00 C ATOM 932 O LEU A 63 5.604 9.441 -1.218 1.00 0.00 O ATOM 933 CB LEU A 63 5.384 11.239 -4.200 1.00 0.00 C ATOM 934 CG LEU A 63 4.199 12.070 -4.725 1.00 0.00 C ATOM 935 CD1 LEU A 63 4.656 12.925 -5.905 1.00 0.00 C ATOM 936 CD2 LEU A 63 3.067 11.151 -5.197 1.00 0.00 C ATOM 0 H LEU A 63 3.601 11.259 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 63 4.695 9.203 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.012 11.853 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.007 10.912 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 63 3.838 12.704 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.816 13.513 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.453 13.595 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.026 12.279 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.238 11.755 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.431 10.508 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.727 10.536 -4.364 1.00 0.00 H new ATOM 948 N ALA A 64 7.117 9.324 -2.805 1.00 0.00 N ATOM 949 CA ALA A 64 8.148 8.866 -1.833 1.00 0.00 C ATOM 950 C ALA A 64 7.652 7.577 -1.179 1.00 0.00 C ATOM 951 O ALA A 64 8.065 7.211 -0.096 1.00 0.00 O ATOM 952 CB ALA A 64 8.361 9.939 -0.763 1.00 0.00 C ATOM 0 H ALA A 64 7.435 9.415 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 64 9.094 8.688 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.116 9.600 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.695 10.863 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.424 10.119 -0.237 1.00 0.00 H new ATOM 958 N LEU A 65 6.750 6.897 -1.831 1.00 0.00 N ATOM 959 CA LEU A 65 6.190 5.637 -1.265 1.00 0.00 C ATOM 960 C LEU A 65 6.361 4.496 -2.272 1.00 0.00 C ATOM 961 O LEU A 65 6.182 3.338 -1.946 1.00 0.00 O ATOM 962 CB LEU A 65 4.704 5.859 -0.982 1.00 0.00 C ATOM 963 CG LEU A 65 4.551 6.911 0.117 1.00 0.00 C ATOM 964 CD1 LEU A 65 3.294 7.743 -0.142 1.00 0.00 C ATOM 965 CD2 LEU A 65 4.432 6.218 1.475 1.00 0.00 C ATOM 0 H LEU A 65 6.373 7.163 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 65 6.713 5.372 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.194 6.186 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.237 4.924 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 65 5.424 7.563 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.186 8.493 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.379 8.239 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.420 7.091 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.323 6.968 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.560 5.564 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.328 5.627 1.661 1.00 0.00 H new ATOM 977 N LEU A 66 6.702 4.810 -3.492 1.00 0.00 N ATOM 978 CA LEU A 66 6.877 3.742 -4.516 1.00 0.00 C ATOM 979 C LEU A 66 7.992 2.783 -4.088 1.00 0.00 C ATOM 980 O LEU A 66 7.755 1.620 -3.833 1.00 0.00 O ATOM 981 CB LEU A 66 7.243 4.377 -5.860 1.00 0.00 C ATOM 982 CG LEU A 66 6.058 4.263 -6.820 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.644 5.661 -7.286 1.00 0.00 C ATOM 984 CD2 LEU A 66 6.465 3.421 -8.032 1.00 0.00 C ATOM 0 H LEU A 66 6.867 5.760 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 66 5.944 3.187 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.510 5.424 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.116 3.880 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 66 5.220 3.787 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.799 5.581 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.356 6.262 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.481 6.137 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.622 3.339 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.302 3.898 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.762 2.426 -7.701 1.00 0.00 H new ATOM 996 N LYS A 67 9.206 3.257 -4.015 1.00 0.00 N ATOM 997 CA LYS A 67 10.328 2.362 -3.612 1.00 0.00 C ATOM 998 C LYS A 67 9.899 1.505 -2.418 1.00 0.00 C ATOM 999 O LYS A 67 10.250 0.347 -2.322 1.00 0.00 O ATOM 1000 CB LYS A 67 11.555 3.201 -3.241 1.00 0.00 C ATOM 1001 CG LYS A 67 12.659 2.288 -2.698 1.00 0.00 C ATOM 1002 CD LYS A 67 13.558 1.837 -3.851 1.00 0.00 C ATOM 1003 CE LYS A 67 13.976 0.381 -3.634 1.00 0.00 C ATOM 1004 NZ LYS A 67 13.050 -0.514 -4.384 1.00 0.00 N ATOM 0 H LYS A 67 9.469 4.222 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 67 10.585 1.709 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.915 3.743 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.285 3.946 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.248 2.817 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.219 1.421 -2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.029 1.937 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.440 2.475 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.001 0.230 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.954 0.139 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.331 -1.505 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.079 -0.376 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.093 -0.287 -5.398 1.00 0.00 H new ATOM 1018 N GLN A 68 9.142 2.056 -1.509 1.00 0.00 N ATOM 1019 CA GLN A 68 8.699 1.253 -0.334 1.00 0.00 C ATOM 1020 C GLN A 68 7.950 0.011 -0.841 1.00 0.00 C ATOM 1021 O GLN A 68 8.252 -1.098 -0.453 1.00 0.00 O ATOM 1022 CB GLN A 68 7.819 2.138 0.588 1.00 0.00 C ATOM 1023 CG GLN A 68 6.414 1.562 0.801 1.00 0.00 C ATOM 1024 CD GLN A 68 5.526 2.663 1.372 1.00 0.00 C ATOM 1025 OE1 GLN A 68 4.650 3.233 0.597 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 5.639 3.015 2.530 1.00 0.00 N flip ATOM 0 H GLN A 68 8.813 3.021 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 68 9.551 0.915 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.311 2.250 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.736 3.135 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.007 1.196 -0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.451 0.712 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.327 2.566 3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.046 3.759 2.897 1.00 0.00 H new ATOM 1035 N ILE A 69 6.970 0.199 -1.688 1.00 0.00 N ATOM 1036 CA ILE A 69 6.176 -0.953 -2.217 1.00 0.00 C ATOM 1037 C ILE A 69 7.070 -2.188 -2.403 1.00 0.00 C ATOM 1038 O ILE A 69 6.796 -3.244 -1.874 1.00 0.00 O ATOM 1039 CB ILE A 69 5.548 -0.535 -3.561 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.143 0.014 -3.303 1.00 0.00 C ATOM 1041 CG2 ILE A 69 5.448 -1.729 -4.520 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.152 1.538 -3.452 1.00 0.00 C ATOM 0 H ILE A 69 6.682 1.112 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 69 5.392 -1.217 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 69 6.182 0.225 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.435 -0.426 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.812 -0.262 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.001 -1.404 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.445 -2.127 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.827 -2.505 -4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.151 1.927 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.847 1.970 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.464 1.803 -4.462 1.00 0.00 H new ATOM 1054 N LYS A 70 8.122 -2.066 -3.167 1.00 0.00 N ATOM 1055 CA LYS A 70 9.019 -3.235 -3.406 1.00 0.00 C ATOM 1056 C LYS A 70 9.813 -3.568 -2.139 1.00 0.00 C ATOM 1057 O LYS A 70 9.816 -4.694 -1.683 1.00 0.00 O ATOM 1058 CB LYS A 70 9.990 -2.899 -4.540 1.00 0.00 C ATOM 1059 CG LYS A 70 9.437 -3.431 -5.863 1.00 0.00 C ATOM 1060 CD LYS A 70 10.256 -4.644 -6.310 1.00 0.00 C ATOM 1061 CE LYS A 70 9.331 -5.676 -6.960 1.00 0.00 C ATOM 1062 NZ LYS A 70 9.804 -5.960 -8.345 1.00 0.00 N ATOM 0 H LYS A 70 8.400 -1.205 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 70 8.412 -4.099 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.134 -1.820 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.966 -3.340 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.390 -3.710 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.476 -2.652 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.026 -4.335 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.767 -5.086 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.321 -6.594 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.308 -5.301 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.177 -6.661 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.792 -5.082 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.773 -6.335 -8.311 1.00 0.00 H new ATOM 1076 N GLN A 71 10.502 -2.600 -1.589 1.00 0.00 N ATOM 1077 CA GLN A 71 11.327 -2.838 -0.361 1.00 0.00 C ATOM 1078 C GLN A 71 10.682 -3.905 0.530 1.00 0.00 C ATOM 1079 O GLN A 71 11.346 -4.791 1.029 1.00 0.00 O ATOM 1080 CB GLN A 71 11.452 -1.531 0.424 1.00 0.00 C ATOM 1081 CG GLN A 71 12.421 -0.593 -0.301 1.00 0.00 C ATOM 1082 CD GLN A 71 13.803 -0.680 0.350 1.00 0.00 C ATOM 1083 OE1 GLN A 71 14.079 -1.598 1.096 1.00 0.00 O ATOM 1084 NE2 GLN A 71 14.689 0.245 0.097 1.00 0.00 N ATOM 0 H GLN A 71 10.529 -1.643 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 71 12.313 -3.189 -0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.475 -1.058 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.811 -1.733 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.486 -0.865 -1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.052 0.432 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.457 1.016 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.613 0.197 0.526 1.00 0.00 H new ATOM 1093 N ARG A 72 9.395 -3.833 0.732 1.00 0.00 N ATOM 1094 CA ARG A 72 8.720 -4.849 1.588 1.00 0.00 C ATOM 1095 C ARG A 72 8.223 -5.997 0.708 1.00 0.00 C ATOM 1096 O ARG A 72 8.390 -7.158 1.025 1.00 0.00 O ATOM 1097 CB ARG A 72 7.533 -4.204 2.306 1.00 0.00 C ATOM 1098 CG ARG A 72 7.616 -4.508 3.802 1.00 0.00 C ATOM 1099 CD ARG A 72 8.176 -3.289 4.538 1.00 0.00 C ATOM 1100 NE ARG A 72 9.076 -3.741 5.635 1.00 0.00 N ATOM 1101 CZ ARG A 72 9.944 -2.913 6.151 1.00 0.00 C ATOM 1102 NH1 ARG A 72 9.912 -1.648 5.830 1.00 0.00 N ATOM 1103 NH2 ARG A 72 10.839 -3.350 6.994 1.00 0.00 N ATOM 0 H ARG A 72 8.783 -3.116 0.342 1.00 0.00 H new ATOM 0 HA ARG A 72 9.424 -5.232 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.537 -3.126 2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.597 -4.585 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.628 -4.758 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.254 -5.375 3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.723 -2.652 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.361 -2.691 4.945 1.00 0.00 H new ATOM 0 HE ARG A 72 9.014 -4.698 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.209 -1.306 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.590 -1.002 6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.860 -4.337 7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.518 -2.704 7.398 1.00 0.00 H new ATOM 1117 N HIS A 73 7.618 -5.678 -0.402 1.00 0.00 N ATOM 1118 CA HIS A 73 7.114 -6.740 -1.315 1.00 0.00 C ATOM 1119 C HIS A 73 8.211 -7.783 -1.531 1.00 0.00 C ATOM 1120 O HIS A 73 9.376 -7.511 -1.320 1.00 0.00 O ATOM 1121 CB HIS A 73 6.730 -6.112 -2.656 1.00 0.00 C ATOM 1122 CG HIS A 73 5.229 -6.002 -2.761 1.00 0.00 C ATOM 1123 ND1 HIS A 73 4.579 -6.031 -3.983 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.238 -5.864 -1.812 1.00 0.00 C ATOM 1125 CE1 HIS A 73 3.260 -5.917 -3.745 1.00 0.00 C ATOM 1126 NE2 HIS A 73 2.998 -5.812 -2.440 1.00 0.00 N ATOM 0 H HIS A 73 7.450 -4.722 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 73 6.240 -7.220 -0.876 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.183 -5.125 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.117 -6.718 -3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 73 5.020 -6.122 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.400 -5.805 -0.746 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.504 -5.911 -4.516 1.00 0.00 H new ATOM 1134 N PRO A 74 7.796 -8.948 -1.946 1.00 0.00 N ATOM 1135 CA PRO A 74 8.788 -10.020 -2.181 1.00 0.00 C ATOM 1136 C PRO A 74 9.454 -9.832 -3.546 1.00 0.00 C ATOM 1137 O PRO A 74 10.634 -9.561 -3.641 1.00 0.00 O ATOM 1138 CB PRO A 74 7.968 -11.312 -2.156 1.00 0.00 C ATOM 1139 CG PRO A 74 6.520 -10.905 -2.486 1.00 0.00 C ATOM 1140 CD PRO A 74 6.405 -9.404 -2.174 1.00 0.00 C ATOM 0 HA PRO A 74 9.586 -10.023 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.347 -12.028 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.025 -11.791 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.291 -11.102 -3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.810 -11.480 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.944 -8.864 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.784 -9.231 -1.295 1.00 0.00 H new ATOM 1148 N MET A 75 8.702 -9.974 -4.605 1.00 0.00 N ATOM 1149 CA MET A 75 9.286 -9.804 -5.965 1.00 0.00 C ATOM 1150 C MET A 75 8.172 -9.911 -7.010 1.00 0.00 C ATOM 1151 O MET A 75 8.264 -10.670 -7.954 1.00 0.00 O ATOM 1152 CB MET A 75 10.332 -10.895 -6.215 1.00 0.00 C ATOM 1153 CG MET A 75 9.925 -12.175 -5.483 1.00 0.00 C ATOM 1154 SD MET A 75 8.352 -12.773 -6.149 1.00 0.00 S ATOM 1155 CE MET A 75 8.882 -14.468 -6.489 1.00 0.00 C ATOM 0 H MET A 75 7.708 -10.201 -4.586 1.00 0.00 H new ATOM 0 HA MET A 75 9.762 -8.826 -6.038 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.422 -11.088 -7.284 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.310 -10.561 -5.868 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.696 -12.936 -5.602 1.00 0.00 H new ATOM 0 HG3 MET A 75 9.830 -11.982 -4.414 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.051 -15.031 -6.914 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.711 -14.455 -7.196 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.204 -14.942 -5.561 1.00 0.00 H new ATOM 1165 N LEU A 76 7.123 -9.153 -6.848 1.00 0.00 N ATOM 1166 CA LEU A 76 6.003 -9.207 -7.829 1.00 0.00 C ATOM 1167 C LEU A 76 5.899 -7.853 -8.546 1.00 0.00 C ATOM 1168 O LEU A 76 6.368 -6.850 -8.045 1.00 0.00 O ATOM 1169 CB LEU A 76 4.700 -9.523 -7.088 1.00 0.00 C ATOM 1170 CG LEU A 76 4.366 -8.389 -6.123 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.092 -7.684 -6.592 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.147 -8.972 -4.726 1.00 0.00 C ATOM 0 H LEU A 76 6.993 -8.498 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 76 6.185 -9.987 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.888 -9.656 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.800 -10.461 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 76 5.186 -7.671 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.851 -6.873 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.248 -7.278 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.268 -8.398 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.908 -8.168 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.323 -9.685 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.054 -9.479 -4.397 1.00 0.00 H new ATOM 1184 N PRO A 77 5.306 -7.878 -9.710 1.00 0.00 N ATOM 1185 CA PRO A 77 5.185 -6.620 -10.489 1.00 0.00 C ATOM 1186 C PRO A 77 4.314 -5.593 -9.753 1.00 0.00 C ATOM 1187 O PRO A 77 3.433 -5.939 -8.990 1.00 0.00 O ATOM 1188 CB PRO A 77 4.515 -7.047 -11.794 1.00 0.00 C ATOM 1189 CG PRO A 77 3.770 -8.357 -11.483 1.00 0.00 C ATOM 1190 CD PRO A 77 4.429 -8.952 -10.233 1.00 0.00 C ATOM 0 HA PRO A 77 6.152 -6.142 -10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.825 -6.281 -12.147 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.254 -7.197 -12.581 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.711 -8.168 -11.309 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.837 -9.049 -12.322 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.682 -9.245 -9.495 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.003 -9.846 -10.478 1.00 0.00 H new ATOM 1198 N VAL A 78 4.561 -4.331 -9.983 1.00 0.00 N ATOM 1199 CA VAL A 78 3.769 -3.273 -9.316 1.00 0.00 C ATOM 1200 C VAL A 78 3.548 -2.113 -10.295 1.00 0.00 C ATOM 1201 O VAL A 78 4.403 -1.266 -10.466 1.00 0.00 O ATOM 1202 CB VAL A 78 4.552 -2.768 -8.113 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.411 -3.751 -6.951 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.030 -2.634 -8.485 1.00 0.00 C ATOM 0 H VAL A 78 5.287 -3.991 -10.613 1.00 0.00 H new ATOM 0 HA VAL A 78 2.805 -3.671 -8.999 1.00 0.00 H new ATOM 0 HB VAL A 78 4.159 -1.797 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.974 -3.383 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.359 -3.847 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.799 -4.725 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.591 -2.272 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.418 -3.606 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.135 -1.928 -9.309 1.00 0.00 H new ATOM 1214 N ILE A 79 2.414 -2.064 -10.938 1.00 0.00 N ATOM 1215 CA ILE A 79 2.153 -0.955 -11.902 1.00 0.00 C ATOM 1216 C ILE A 79 2.222 0.386 -11.168 1.00 0.00 C ATOM 1217 O ILE A 79 2.233 0.444 -9.953 1.00 0.00 O ATOM 1218 CB ILE A 79 0.766 -1.118 -12.533 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.550 -2.579 -12.943 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.668 -0.227 -13.773 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -0.767 -2.704 -13.714 1.00 0.00 C ATOM 0 H ILE A 79 1.658 -2.741 -10.839 1.00 0.00 H new ATOM 0 HA ILE A 79 2.907 -0.985 -12.688 1.00 0.00 H new ATOM 0 HB ILE A 79 0.004 -0.830 -11.808 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.380 -2.921 -13.562 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.528 -3.216 -12.059 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.317 -0.340 -14.225 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.819 0.814 -13.486 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.433 -0.519 -14.492 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.921 -3.743 -14.006 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.592 -2.379 -13.080 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.727 -2.079 -14.606 1.00 0.00 H new ATOM 1233 N ILE A 80 2.276 1.467 -11.898 1.00 0.00 N ATOM 1234 CA ILE A 80 2.352 2.803 -11.244 1.00 0.00 C ATOM 1235 C ILE A 80 1.954 3.882 -12.259 1.00 0.00 C ATOM 1236 O ILE A 80 2.405 3.886 -13.387 1.00 0.00 O ATOM 1237 CB ILE A 80 3.789 3.035 -10.744 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.115 4.533 -10.706 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.775 2.332 -11.678 1.00 0.00 C ATOM 1240 CD1 ILE A 80 3.227 5.226 -9.673 1.00 0.00 C ATOM 0 H ILE A 80 2.271 1.482 -12.918 1.00 0.00 H new ATOM 0 HA ILE A 80 1.670 2.850 -10.395 1.00 0.00 H new ATOM 0 HB ILE A 80 3.874 2.629 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.165 4.680 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.958 4.975 -11.690 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.793 2.497 -11.323 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.564 1.263 -11.692 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.672 2.735 -12.686 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.461 6.290 -9.648 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.180 5.091 -9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.406 4.792 -8.689 1.00 0.00 H new ATOM 1252 N MET A 81 1.114 4.800 -11.862 1.00 0.00 N ATOM 1253 CA MET A 81 0.691 5.878 -12.800 1.00 0.00 C ATOM 1254 C MET A 81 1.905 6.728 -13.178 1.00 0.00 C ATOM 1255 O MET A 81 2.894 6.763 -12.472 1.00 0.00 O ATOM 1256 CB MET A 81 -0.361 6.758 -12.121 1.00 0.00 C ATOM 1257 CG MET A 81 -1.660 6.720 -12.930 1.00 0.00 C ATOM 1258 SD MET A 81 -2.953 5.908 -11.955 1.00 0.00 S ATOM 1259 CE MET A 81 -2.209 4.259 -11.917 1.00 0.00 C ATOM 0 H MET A 81 0.703 4.849 -10.930 1.00 0.00 H new ATOM 0 HA MET A 81 0.266 5.434 -13.700 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.543 6.407 -11.105 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.002 7.783 -12.044 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.968 7.732 -13.192 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.503 6.183 -13.865 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.995 3.504 -11.951 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.551 4.137 -12.777 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.632 4.141 -11.000 1.00 0.00 H new ATOM 1269 N THR A 82 1.841 7.415 -14.286 1.00 0.00 N ATOM 1270 CA THR A 82 2.995 8.259 -14.705 1.00 0.00 C ATOM 1271 C THR A 82 2.739 9.711 -14.294 1.00 0.00 C ATOM 1272 O THR A 82 1.609 10.148 -14.194 1.00 0.00 O ATOM 1273 CB THR A 82 3.165 8.177 -16.225 1.00 0.00 C ATOM 1274 OG1 THR A 82 4.401 8.770 -16.595 1.00 0.00 O ATOM 1275 CG2 THR A 82 2.015 8.916 -16.912 1.00 0.00 C ATOM 0 H THR A 82 1.041 7.428 -14.918 1.00 0.00 H new ATOM 0 HA THR A 82 3.903 7.900 -14.221 1.00 0.00 H new ATOM 0 HB THR A 82 3.156 7.132 -16.535 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.511 8.716 -17.567 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.138 8.856 -17.993 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.067 8.458 -16.629 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.019 9.962 -16.604 1.00 0.00 H new ATOM 1283 N ALA A 83 3.779 10.460 -14.049 1.00 0.00 N ATOM 1284 CA ALA A 83 3.592 11.881 -13.641 1.00 0.00 C ATOM 1285 C ALA A 83 4.951 12.580 -13.573 1.00 0.00 C ATOM 1286 O ALA A 83 5.337 13.294 -14.477 1.00 0.00 O ATOM 1287 CB ALA A 83 2.923 11.931 -12.264 1.00 0.00 C ATOM 0 H ALA A 83 4.749 10.150 -14.114 1.00 0.00 H new ATOM 0 HA ALA A 83 2.962 12.388 -14.372 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.785 12.970 -11.964 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.953 11.436 -12.312 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.554 11.423 -11.534 1.00 0.00 H new ATOM 1293 N HIS A 84 5.681 12.383 -12.507 1.00 0.00 N ATOM 1294 CA HIS A 84 7.013 13.044 -12.385 1.00 0.00 C ATOM 1295 C HIS A 84 7.678 12.625 -11.072 1.00 0.00 C ATOM 1296 O HIS A 84 7.893 13.433 -10.191 1.00 0.00 O ATOM 1297 CB HIS A 84 6.823 14.561 -12.393 1.00 0.00 C ATOM 1298 CG HIS A 84 7.922 15.202 -13.196 1.00 0.00 C ATOM 1299 ND1 HIS A 84 7.807 16.479 -13.721 1.00 0.00 N ATOM 1300 CD2 HIS A 84 9.166 14.755 -13.568 1.00 0.00 C ATOM 1301 CE1 HIS A 84 8.951 16.755 -14.372 1.00 0.00 C ATOM 1302 NE2 HIS A 84 9.814 15.738 -14.311 1.00 0.00 N ATOM 0 H HIS A 84 5.413 11.795 -11.718 1.00 0.00 H new ATOM 0 HA HIS A 84 7.645 12.745 -13.221 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.852 14.814 -12.819 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.833 14.944 -11.373 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.579 13.788 -13.322 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.148 17.686 -14.882 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.747 15.691 -14.721 1.00 0.00 H new ATOM 1310 N SER A 85 8.008 11.371 -10.934 1.00 0.00 N ATOM 1311 CA SER A 85 8.660 10.912 -9.676 1.00 0.00 C ATOM 1312 C SER A 85 9.086 9.451 -9.823 1.00 0.00 C ATOM 1313 O SER A 85 10.118 9.041 -9.331 1.00 0.00 O ATOM 1314 CB SER A 85 7.674 11.043 -8.514 1.00 0.00 C ATOM 1315 OG SER A 85 6.759 9.955 -8.550 1.00 0.00 O ATOM 0 H SER A 85 7.855 10.646 -11.635 1.00 0.00 H new ATOM 0 HA SER A 85 9.539 11.526 -9.478 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.211 11.051 -7.565 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.136 11.988 -8.583 1.00 0.00 H new ATOM 0 HG SER A 85 6.232 9.944 -7.724 1.00 0.00 H new ATOM 1321 N ASP A 86 8.297 8.658 -10.496 1.00 0.00 N ATOM 1322 CA ASP A 86 8.655 7.222 -10.672 1.00 0.00 C ATOM 1323 C ASP A 86 10.028 7.111 -11.340 1.00 0.00 C ATOM 1324 O ASP A 86 10.754 6.166 -11.123 1.00 0.00 O ATOM 1325 CB ASP A 86 7.609 6.541 -11.556 1.00 0.00 C ATOM 1326 CG ASP A 86 6.214 7.046 -11.183 1.00 0.00 C ATOM 1327 OD1 ASP A 86 5.881 6.998 -10.011 1.00 0.00 O ATOM 1328 OD2 ASP A 86 5.500 7.471 -12.077 1.00 0.00 O ATOM 0 H ASP A 86 7.420 8.943 -10.932 1.00 0.00 H new ATOM 0 HA ASP A 86 8.685 6.737 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.814 6.750 -12.606 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.661 5.459 -11.431 1.00 0.00 H new ATOM 1333 N LEU A 87 10.366 8.061 -12.170 1.00 0.00 N ATOM 1334 CA LEU A 87 11.677 8.028 -12.889 1.00 0.00 C ATOM 1335 C LEU A 87 12.782 7.417 -12.014 1.00 0.00 C ATOM 1336 O LEU A 87 13.731 6.848 -12.517 1.00 0.00 O ATOM 1337 CB LEU A 87 12.076 9.459 -13.260 1.00 0.00 C ATOM 1338 CG LEU A 87 12.297 9.551 -14.771 1.00 0.00 C ATOM 1339 CD1 LEU A 87 13.233 8.427 -15.217 1.00 0.00 C ATOM 1340 CD2 LEU A 87 10.955 9.411 -15.494 1.00 0.00 C ATOM 0 H LEU A 87 9.783 8.870 -12.384 1.00 0.00 H new ATOM 0 HA LEU A 87 11.563 7.411 -13.781 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.297 10.157 -12.952 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.985 9.743 -12.731 1.00 0.00 H new ATOM 0 HG LEU A 87 12.742 10.516 -15.014 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.391 8.491 -16.294 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.189 8.524 -14.703 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.786 7.463 -14.973 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.113 9.477 -16.570 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.510 8.446 -15.251 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.285 10.210 -15.176 1.00 0.00 H new ATOM 1352 N ASP A 88 12.686 7.543 -10.717 1.00 0.00 N ATOM 1353 CA ASP A 88 13.755 6.981 -9.838 1.00 0.00 C ATOM 1354 C ASP A 88 13.393 5.563 -9.380 1.00 0.00 C ATOM 1355 O ASP A 88 14.173 4.643 -9.519 1.00 0.00 O ATOM 1356 CB ASP A 88 13.926 7.880 -8.612 1.00 0.00 C ATOM 1357 CG ASP A 88 15.397 8.279 -8.476 1.00 0.00 C ATOM 1358 OD1 ASP A 88 16.244 7.473 -8.824 1.00 0.00 O ATOM 1359 OD2 ASP A 88 15.651 9.385 -8.027 1.00 0.00 O ATOM 0 H ASP A 88 11.919 8.007 -10.230 1.00 0.00 H new ATOM 0 HA ASP A 88 14.685 6.938 -10.405 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.304 8.770 -8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.595 7.357 -7.715 1.00 0.00 H new ATOM 1364 N ALA A 89 12.228 5.377 -8.818 1.00 0.00 N ATOM 1365 CA ALA A 89 11.844 4.016 -8.337 1.00 0.00 C ATOM 1366 C ALA A 89 11.598 3.077 -9.524 1.00 0.00 C ATOM 1367 O ALA A 89 11.309 1.910 -9.348 1.00 0.00 O ATOM 1368 CB ALA A 89 10.569 4.114 -7.496 1.00 0.00 C ATOM 0 H ALA A 89 11.528 6.104 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 89 12.658 3.615 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.288 3.121 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.747 4.765 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.763 4.525 -8.104 1.00 0.00 H new ATOM 1374 N ALA A 90 11.713 3.564 -10.729 1.00 0.00 N ATOM 1375 CA ALA A 90 11.487 2.684 -11.911 1.00 0.00 C ATOM 1376 C ALA A 90 12.830 2.380 -12.575 1.00 0.00 C ATOM 1377 O ALA A 90 13.352 1.288 -12.460 1.00 0.00 O ATOM 1378 CB ALA A 90 10.570 3.390 -12.911 1.00 0.00 C ATOM 0 H ALA A 90 11.953 4.531 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 90 11.018 1.754 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.407 2.744 -13.774 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.614 3.609 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.035 4.320 -13.237 1.00 0.00 H new ATOM 1384 N VAL A 91 13.378 3.338 -13.282 1.00 0.00 N ATOM 1385 CA VAL A 91 14.685 3.130 -13.977 1.00 0.00 C ATOM 1386 C VAL A 91 15.588 2.210 -13.151 1.00 0.00 C ATOM 1387 O VAL A 91 16.377 1.457 -13.684 1.00 0.00 O ATOM 1388 CB VAL A 91 15.376 4.483 -14.152 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.781 4.270 -14.719 1.00 0.00 C ATOM 1390 CG2 VAL A 91 14.564 5.350 -15.118 1.00 0.00 C ATOM 0 H VAL A 91 12.970 4.265 -13.408 1.00 0.00 H new ATOM 0 HA VAL A 91 14.503 2.669 -14.948 1.00 0.00 H new ATOM 0 HB VAL A 91 15.446 4.982 -13.185 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.273 5.235 -14.844 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.361 3.653 -14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.712 3.771 -15.685 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.056 6.314 -15.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.494 4.850 -16.084 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.563 5.503 -14.715 1.00 0.00 H new ATOM 1400 N SER A 92 15.479 2.266 -11.851 1.00 0.00 N ATOM 1401 CA SER A 92 16.334 1.394 -10.997 1.00 0.00 C ATOM 1402 C SER A 92 15.477 0.294 -10.364 1.00 0.00 C ATOM 1403 O SER A 92 14.491 -0.139 -10.925 1.00 0.00 O ATOM 1404 CB SER A 92 16.975 2.234 -9.893 1.00 0.00 C ATOM 1405 OG SER A 92 18.322 1.816 -9.707 1.00 0.00 O ATOM 0 H SER A 92 14.837 2.876 -11.345 1.00 0.00 H new ATOM 0 HA SER A 92 17.112 0.940 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.943 3.291 -10.159 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.416 2.122 -8.964 1.00 0.00 H new ATOM 0 HG SER A 92 18.737 2.354 -9.001 1.00 0.00 H new ATOM 1411 N ALA A 93 15.848 -0.159 -9.196 1.00 0.00 N ATOM 1412 CA ALA A 93 15.057 -1.229 -8.525 1.00 0.00 C ATOM 1413 C ALA A 93 14.897 -2.416 -9.479 1.00 0.00 C ATOM 1414 O ALA A 93 15.757 -3.268 -9.572 1.00 0.00 O ATOM 1415 CB ALA A 93 13.679 -0.680 -8.147 1.00 0.00 C ATOM 0 H ALA A 93 16.665 0.166 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 93 15.574 -1.558 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.098 -1.461 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 93 13.798 0.165 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.158 -0.352 -9.047 1.00 0.00 H new ATOM 1421 N TYR A 94 13.806 -2.478 -10.194 1.00 0.00 N ATOM 1422 CA TYR A 94 13.599 -3.607 -11.144 1.00 0.00 C ATOM 1423 C TYR A 94 13.232 -3.044 -12.517 1.00 0.00 C ATOM 1424 O TYR A 94 12.110 -3.161 -12.968 1.00 0.00 O ATOM 1425 CB TYR A 94 12.464 -4.502 -10.638 1.00 0.00 C ATOM 1426 CG TYR A 94 13.031 -5.817 -10.157 1.00 0.00 C ATOM 1427 CD1 TYR A 94 13.566 -5.919 -8.866 1.00 0.00 C ATOM 1428 CD2 TYR A 94 13.020 -6.934 -11.000 1.00 0.00 C ATOM 1429 CE1 TYR A 94 14.090 -7.138 -8.420 1.00 0.00 C ATOM 1430 CE2 TYR A 94 13.544 -8.154 -10.554 1.00 0.00 C ATOM 1431 CZ TYR A 94 14.078 -8.256 -9.264 1.00 0.00 C ATOM 1432 OH TYR A 94 14.594 -9.459 -8.825 1.00 0.00 O ATOM 0 H TYR A 94 13.049 -1.795 -10.161 1.00 0.00 H new ATOM 0 HA TYR A 94 14.514 -4.195 -11.220 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.930 -4.006 -9.827 1.00 0.00 H new ATOM 0 HB3 TYR A 94 11.742 -4.676 -11.435 1.00 0.00 H new ATOM 0 HD1 TYR A 94 13.574 -5.057 -8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.607 -6.855 -11.995 1.00 0.00 H new ATOM 0 HE1 TYR A 94 14.503 -7.217 -7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 94 13.536 -9.016 -11.205 1.00 0.00 H new ATOM 0 HH TYR A 94 14.506 -10.130 -9.533 1.00 0.00 H new ATOM 1442 N GLN A 95 14.170 -2.428 -13.181 1.00 0.00 N ATOM 1443 CA GLN A 95 13.879 -1.850 -14.521 1.00 0.00 C ATOM 1444 C GLN A 95 13.437 -2.961 -15.476 1.00 0.00 C ATOM 1445 O GLN A 95 12.790 -2.713 -16.475 1.00 0.00 O ATOM 1446 CB GLN A 95 15.141 -1.178 -15.069 1.00 0.00 C ATOM 1447 CG GLN A 95 14.768 0.153 -15.724 1.00 0.00 C ATOM 1448 CD GLN A 95 14.662 -0.037 -17.238 1.00 0.00 C ATOM 1449 OE1 GLN A 95 15.464 -0.729 -17.833 1.00 0.00 O ATOM 1450 NE2 GLN A 95 13.698 0.551 -17.893 1.00 0.00 N ATOM 0 H GLN A 95 15.127 -2.300 -12.852 1.00 0.00 H new ATOM 0 HA GLN A 95 13.081 -1.113 -14.432 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.856 -1.011 -14.263 1.00 0.00 H new ATOM 0 HB3 GLN A 95 15.626 -1.830 -15.796 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.820 0.514 -15.325 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.520 0.908 -15.493 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.024 1.132 -17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.619 0.429 -18.903 1.00 0.00 H new ATOM 1459 N GLN A 96 13.780 -4.184 -15.179 1.00 0.00 N ATOM 1460 CA GLN A 96 13.379 -5.307 -16.074 1.00 0.00 C ATOM 1461 C GLN A 96 11.866 -5.522 -15.982 1.00 0.00 C ATOM 1462 O GLN A 96 11.139 -4.689 -15.477 1.00 0.00 O ATOM 1463 CB GLN A 96 14.104 -6.584 -15.645 1.00 0.00 C ATOM 1464 CG GLN A 96 15.609 -6.415 -15.860 1.00 0.00 C ATOM 1465 CD GLN A 96 16.368 -7.141 -14.747 1.00 0.00 C ATOM 1466 OE1 GLN A 96 15.982 -7.085 -13.596 1.00 0.00 O ATOM 1467 NE2 GLN A 96 17.440 -7.824 -15.043 1.00 0.00 N ATOM 0 H GLN A 96 14.320 -4.455 -14.357 1.00 0.00 H new ATOM 0 HA GLN A 96 13.647 -5.064 -17.102 1.00 0.00 H new ATOM 0 HB2 GLN A 96 13.898 -6.797 -14.596 1.00 0.00 H new ATOM 0 HB3 GLN A 96 13.737 -7.434 -16.221 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.896 -6.816 -16.832 1.00 0.00 H new ATOM 0 HG3 GLN A 96 15.870 -5.357 -15.863 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.764 -7.871 -16.009 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.954 -8.311 -14.308 1.00 0.00 H new ATOM 1476 N GLY A 97 11.387 -6.635 -16.469 1.00 0.00 N ATOM 1477 CA GLY A 97 9.922 -6.907 -16.415 1.00 0.00 C ATOM 1478 C GLY A 97 9.428 -6.807 -14.971 1.00 0.00 C ATOM 1479 O GLY A 97 9.565 -7.729 -14.192 1.00 0.00 O ATOM 0 H GLY A 97 11.948 -7.368 -16.902 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.387 -6.193 -17.042 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.713 -7.900 -16.812 1.00 0.00 H new ATOM 1483 N ALA A 98 8.848 -5.696 -14.611 1.00 0.00 N ATOM 1484 CA ALA A 98 8.338 -5.537 -13.220 1.00 0.00 C ATOM 1485 C ALA A 98 7.078 -4.668 -13.240 1.00 0.00 C ATOM 1486 O ALA A 98 6.099 -4.958 -12.581 1.00 0.00 O ATOM 1487 CB ALA A 98 9.407 -4.865 -12.356 1.00 0.00 C ATOM 0 H ALA A 98 8.705 -4.891 -15.220 1.00 0.00 H new ATOM 0 HA ALA A 98 8.101 -6.516 -12.805 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.033 -4.749 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.306 -5.482 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.645 -3.885 -12.769 1.00 0.00 H new ATOM 1493 N PHE A 99 7.098 -3.602 -13.994 1.00 0.00 N ATOM 1494 CA PHE A 99 5.905 -2.712 -14.062 1.00 0.00 C ATOM 1495 C PHE A 99 6.250 -1.459 -14.867 1.00 0.00 C ATOM 1496 O PHE A 99 7.308 -0.883 -14.715 1.00 0.00 O ATOM 1497 CB PHE A 99 5.481 -2.306 -12.648 1.00 0.00 C ATOM 1498 CG PHE A 99 6.694 -1.905 -11.839 1.00 0.00 C ATOM 1499 CD1 PHE A 99 7.137 -0.576 -11.855 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.372 -2.855 -11.065 1.00 0.00 C ATOM 1501 CE1 PHE A 99 8.255 -0.200 -11.100 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.490 -2.480 -10.311 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.931 -1.153 -10.328 1.00 0.00 C ATOM 0 H PHE A 99 7.890 -3.309 -14.566 1.00 0.00 H new ATOM 0 HA PHE A 99 5.086 -3.245 -14.546 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.775 -1.477 -12.695 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.967 -3.135 -12.161 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.616 0.159 -12.450 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.031 -3.880 -11.050 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.596 0.825 -11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.012 -3.215 -9.716 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.793 -0.863 -9.746 1.00 0.00 H new ATOM 1513 N ASP A 100 5.361 -1.034 -15.723 1.00 0.00 N ATOM 1514 CA ASP A 100 5.632 0.181 -16.540 1.00 0.00 C ATOM 1515 C ASP A 100 4.833 1.357 -15.977 1.00 0.00 C ATOM 1516 O ASP A 100 4.393 1.335 -14.844 1.00 0.00 O ATOM 1517 CB ASP A 100 5.209 -0.081 -17.986 1.00 0.00 C ATOM 1518 CG ASP A 100 5.590 -1.510 -18.376 1.00 0.00 C ATOM 1519 OD1 ASP A 100 5.100 -2.427 -17.737 1.00 0.00 O ATOM 1520 OD2 ASP A 100 6.367 -1.664 -19.303 1.00 0.00 O ATOM 0 H ASP A 100 4.458 -1.477 -15.891 1.00 0.00 H new ATOM 0 HA ASP A 100 6.696 0.418 -16.509 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.134 0.063 -18.094 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.694 0.631 -18.653 1.00 0.00 H new ATOM 1525 N TYR A 101 4.642 2.385 -16.757 1.00 0.00 N ATOM 1526 CA TYR A 101 3.869 3.560 -16.261 1.00 0.00 C ATOM 1527 C TYR A 101 2.474 3.554 -16.891 1.00 0.00 C ATOM 1528 O TYR A 101 2.283 3.091 -17.998 1.00 0.00 O ATOM 1529 CB TYR A 101 4.590 4.860 -16.642 1.00 0.00 C ATOM 1530 CG TYR A 101 6.071 4.605 -16.805 1.00 0.00 C ATOM 1531 CD1 TYR A 101 6.774 3.897 -15.823 1.00 0.00 C ATOM 1532 CD2 TYR A 101 6.742 5.082 -17.938 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.147 3.665 -15.974 1.00 0.00 C ATOM 1534 CE2 TYR A 101 8.115 4.850 -18.090 1.00 0.00 C ATOM 1535 CZ TYR A 101 8.817 4.142 -17.108 1.00 0.00 C ATOM 1536 OH TYR A 101 10.169 3.914 -17.258 1.00 0.00 O ATOM 0 H TYR A 101 4.986 2.463 -17.714 1.00 0.00 H new ATOM 0 HA TYR A 101 3.785 3.499 -15.176 1.00 0.00 H new ATOM 0 HB2 TYR A 101 4.177 5.255 -17.570 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.426 5.615 -15.873 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.257 3.530 -14.949 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.200 5.629 -18.695 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.689 3.119 -15.216 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.632 5.217 -18.964 1.00 0.00 H new ATOM 0 HH TYR A 101 10.476 4.311 -18.100 1.00 0.00 H new ATOM 1546 N LEU A 102 1.496 4.068 -16.195 1.00 0.00 N ATOM 1547 CA LEU A 102 0.114 4.093 -16.757 1.00 0.00 C ATOM 1548 C LEU A 102 -0.295 5.540 -17.032 1.00 0.00 C ATOM 1549 O LEU A 102 -0.403 6.340 -16.125 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.859 3.472 -15.751 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.901 1.953 -15.942 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -1.914 1.342 -14.971 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.319 1.631 -17.379 1.00 0.00 C ATOM 0 H LEU A 102 1.593 4.471 -15.263 1.00 0.00 H new ATOM 0 HA LEU A 102 0.089 3.523 -17.686 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.548 3.712 -14.734 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.855 3.893 -15.887 1.00 0.00 H new ATOM 0 HG LEU A 102 0.087 1.537 -15.746 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.943 0.261 -15.108 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.620 1.570 -13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.902 1.759 -15.166 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.349 0.550 -17.516 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.307 2.049 -17.573 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.599 2.065 -18.073 1.00 0.00 H new ATOM 1565 N PRO A 103 -0.510 5.829 -18.287 1.00 0.00 N ATOM 1566 CA PRO A 103 -0.908 7.208 -18.650 1.00 0.00 C ATOM 1567 C PRO A 103 -2.433 7.328 -18.725 1.00 0.00 C ATOM 1568 O PRO A 103 -3.124 6.388 -19.068 1.00 0.00 O ATOM 1569 CB PRO A 103 -0.281 7.436 -20.025 1.00 0.00 C ATOM 1570 CG PRO A 103 -0.052 6.037 -20.632 1.00 0.00 C ATOM 1571 CD PRO A 103 -0.035 5.049 -19.455 1.00 0.00 C ATOM 0 HA PRO A 103 -0.578 7.943 -17.916 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.938 8.032 -20.658 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.659 7.981 -19.938 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.844 5.786 -21.338 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.888 6.002 -21.182 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.684 4.195 -19.648 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.967 4.656 -19.285 1.00 0.00 H new ATOM 1579 N LYS A 104 -2.963 8.480 -18.415 1.00 0.00 N ATOM 1580 CA LYS A 104 -4.439 8.662 -18.476 1.00 0.00 C ATOM 1581 C LYS A 104 -4.798 9.420 -19.761 1.00 0.00 C ATOM 1582 O LYS A 104 -4.016 10.219 -20.238 1.00 0.00 O ATOM 1583 CB LYS A 104 -4.907 9.465 -17.261 1.00 0.00 C ATOM 1584 CG LYS A 104 -5.216 8.511 -16.105 1.00 0.00 C ATOM 1585 CD LYS A 104 -5.764 9.305 -14.917 1.00 0.00 C ATOM 1586 CE LYS A 104 -4.603 9.815 -14.061 1.00 0.00 C ATOM 1587 NZ LYS A 104 -5.128 10.710 -12.990 1.00 0.00 N ATOM 0 H LYS A 104 -2.436 9.303 -18.122 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.929 7.689 -18.474 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.136 10.176 -16.963 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.795 10.045 -17.515 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.943 7.763 -16.422 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.314 7.975 -15.812 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.363 10.144 -15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.421 8.675 -14.318 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.068 8.975 -13.618 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.889 10.355 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.338 11.056 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.619 11.518 -13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.793 10.181 -12.391 1.00 0.00 H new ATOM 1601 N PRO A 105 -5.971 9.153 -20.288 1.00 0.00 N ATOM 1602 CA PRO A 105 -6.879 8.166 -19.656 1.00 0.00 C ATOM 1603 C PRO A 105 -6.433 6.739 -19.989 1.00 0.00 C ATOM 1604 O PRO A 105 -6.013 6.452 -21.092 1.00 0.00 O ATOM 1605 CB PRO A 105 -8.248 8.463 -20.269 1.00 0.00 C ATOM 1606 CG PRO A 105 -7.977 9.185 -21.605 1.00 0.00 C ATOM 1607 CD PRO A 105 -6.548 9.750 -21.516 1.00 0.00 C ATOM 0 HA PRO A 105 -6.888 8.241 -18.569 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.809 7.543 -20.431 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.845 9.087 -19.604 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.070 8.495 -22.444 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.700 9.984 -21.768 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.963 9.483 -22.396 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.558 10.838 -21.458 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.513 5.846 -19.040 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.088 4.441 -19.296 1.00 0.00 C ATOM 1617 C PHE A 106 -7.288 3.504 -19.167 1.00 0.00 C ATOM 1618 O PHE A 106 -8.359 3.896 -18.749 1.00 0.00 O ATOM 1619 CB PHE A 106 -5.020 4.047 -18.277 1.00 0.00 C ATOM 1620 CG PHE A 106 -4.528 2.651 -18.550 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -3.524 2.444 -19.500 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.072 1.565 -17.856 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -3.060 1.149 -19.758 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -4.610 0.269 -18.113 1.00 0.00 C ATOM 1625 CZ PHE A 106 -3.604 0.061 -19.064 1.00 0.00 C ATOM 0 H PHE A 106 -6.855 6.030 -18.097 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.682 4.363 -20.305 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.187 4.749 -18.323 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.430 4.105 -17.269 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.106 3.284 -20.035 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.848 1.726 -17.122 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.283 0.989 -20.491 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.029 -0.570 -17.578 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.247 -0.939 -19.263 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.110 2.266 -19.529 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.222 1.287 -19.440 1.00 0.00 C ATOM 1637 C ASP A 107 -8.023 0.406 -18.204 1.00 0.00 C ATOM 1638 O ASP A 107 -7.093 -0.370 -18.134 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.188 0.407 -20.685 1.00 0.00 C ATOM 1640 CG ASP A 107 -9.615 0.057 -21.114 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -10.196 -0.827 -20.508 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -10.101 0.678 -22.046 1.00 0.00 O ATOM 0 H ASP A 107 -6.232 1.889 -19.886 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.176 1.809 -19.367 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.673 0.925 -21.494 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.626 -0.505 -20.482 1.00 0.00 H new ATOM 1647 N ILE A 108 -8.884 0.511 -17.230 1.00 0.00 N ATOM 1648 CA ILE A 108 -8.720 -0.334 -16.012 1.00 0.00 C ATOM 1649 C ILE A 108 -8.649 -1.804 -16.422 1.00 0.00 C ATOM 1650 O ILE A 108 -8.003 -2.607 -15.778 1.00 0.00 O ATOM 1651 CB ILE A 108 -9.906 -0.120 -15.066 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -9.573 -0.710 -13.693 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.147 -0.815 -15.628 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.332 0.423 -12.693 1.00 0.00 C ATOM 0 H ILE A 108 -9.688 1.139 -17.223 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.800 -0.053 -15.499 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.102 0.948 -14.970 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.391 -1.344 -13.350 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.688 -1.342 -13.762 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.988 -0.660 -14.952 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.386 -0.398 -16.606 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.953 -1.883 -15.727 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.095 0.002 -11.716 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.500 1.039 -13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.229 1.037 -12.615 1.00 0.00 H new ATOM 1666 N ASP A 109 -9.300 -2.164 -17.492 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.261 -3.575 -17.946 1.00 0.00 C ATOM 1668 C ASP A 109 -7.927 -3.831 -18.627 1.00 0.00 C ATOM 1669 O ASP A 109 -7.274 -4.819 -18.381 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.391 -3.799 -18.940 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.596 -5.297 -19.166 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.145 -6.069 -18.337 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.205 -5.648 -20.163 1.00 0.00 O ATOM 0 H ASP A 109 -9.858 -1.537 -18.071 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.377 -4.252 -17.100 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.311 -3.350 -18.566 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.158 -3.308 -19.885 1.00 0.00 H new ATOM 1678 N GLU A 110 -7.509 -2.941 -19.471 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.202 -3.137 -20.144 1.00 0.00 C ATOM 1680 C GLU A 110 -5.163 -3.436 -19.062 1.00 0.00 C ATOM 1681 O GLU A 110 -4.241 -4.204 -19.260 1.00 0.00 O ATOM 1682 CB GLU A 110 -5.829 -1.858 -20.894 1.00 0.00 C ATOM 1683 CG GLU A 110 -4.488 -2.040 -21.604 1.00 0.00 C ATOM 1684 CD GLU A 110 -4.257 -0.874 -22.568 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -3.681 0.114 -22.145 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.658 -0.991 -23.715 1.00 0.00 O ATOM 0 H GLU A 110 -8.011 -2.090 -19.724 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.247 -3.960 -20.858 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.604 -1.614 -21.620 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.770 -1.022 -20.197 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.681 -2.086 -20.873 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.479 -2.984 -22.149 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.321 -2.835 -17.910 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.373 -3.066 -16.798 1.00 0.00 C ATOM 1695 C ALA A 111 -4.650 -4.427 -16.150 1.00 0.00 C ATOM 1696 O ALA A 111 -3.888 -5.358 -16.302 1.00 0.00 O ATOM 1697 CB ALA A 111 -4.580 -1.961 -15.770 1.00 0.00 C ATOM 0 H ALA A 111 -6.079 -2.187 -17.698 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.348 -3.059 -17.168 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.893 -2.106 -14.937 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.390 -0.993 -16.233 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.606 -1.992 -15.404 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.724 -4.537 -15.408 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.052 -5.826 -14.720 1.00 0.00 C ATOM 1705 C VAL A 112 -5.637 -7.024 -15.589 1.00 0.00 C ATOM 1706 O VAL A 112 -5.055 -7.978 -15.113 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.565 -5.873 -14.461 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -8.022 -7.318 -14.245 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.886 -5.057 -13.205 1.00 0.00 C ATOM 0 H VAL A 112 -6.393 -3.784 -15.248 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.506 -5.882 -13.778 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.085 -5.458 -15.325 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.096 -7.336 -14.062 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.795 -7.908 -15.133 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.501 -7.740 -13.386 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.959 -5.087 -13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.356 -5.479 -12.351 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.572 -4.024 -13.352 1.00 0.00 H new ATOM 1719 N ALA A 113 -5.953 -6.983 -16.851 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.603 -8.118 -17.755 1.00 0.00 C ATOM 1721 C ALA A 113 -4.099 -8.137 -18.044 1.00 0.00 C ATOM 1722 O ALA A 113 -3.387 -8.997 -17.561 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.368 -7.965 -19.072 1.00 0.00 C ATOM 0 H ALA A 113 -6.442 -6.209 -17.301 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.876 -9.053 -17.266 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.117 -8.791 -19.737 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.440 -7.972 -18.873 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.093 -7.022 -19.545 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.621 -7.214 -18.847 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.169 -7.179 -19.197 1.00 0.00 C ATOM 1731 C LEU A 114 -1.346 -7.632 -18.000 1.00 0.00 C ATOM 1732 O LEU A 114 -0.602 -8.581 -18.068 1.00 0.00 O ATOM 1733 CB LEU A 114 -1.799 -5.745 -19.564 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.284 -5.628 -19.738 1.00 0.00 C ATOM 1735 CD1 LEU A 114 0.046 -5.419 -21.217 1.00 0.00 C ATOM 1736 CD2 LEU A 114 0.230 -4.434 -18.932 1.00 0.00 C ATOM 0 H LEU A 114 -4.182 -6.479 -19.277 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.966 -7.844 -20.036 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.303 -5.454 -20.485 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.139 -5.062 -18.786 1.00 0.00 H new ATOM 0 HG LEU A 114 0.193 -6.542 -19.384 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.126 -5.336 -21.341 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.321 -6.267 -21.795 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.431 -4.505 -21.571 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.310 -4.350 -19.055 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.248 -3.522 -19.288 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.005 -4.579 -17.877 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.495 -6.977 -16.893 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.743 -7.400 -15.693 1.00 0.00 C ATOM 1750 C VAL A 115 -0.948 -8.911 -15.518 1.00 0.00 C ATOM 1751 O VAL A 115 -0.008 -9.675 -15.489 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.272 -6.616 -14.474 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.659 -7.558 -13.325 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.186 -5.653 -13.991 1.00 0.00 C ATOM 0 H VAL A 115 -2.104 -6.168 -16.767 1.00 0.00 H new ATOM 0 HA VAL A 115 0.323 -7.194 -15.793 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.164 -6.068 -14.779 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.027 -6.972 -12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.439 -8.241 -13.661 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.785 -8.131 -13.014 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.552 -5.095 -13.129 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.702 -6.218 -13.707 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.067 -4.959 -14.792 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.179 -9.330 -15.385 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.477 -10.780 -15.188 1.00 0.00 C ATOM 1766 C GLU A 116 -1.507 -11.656 -15.988 1.00 0.00 C ATOM 1767 O GLU A 116 -1.053 -12.681 -15.518 1.00 0.00 O ATOM 1768 CB GLU A 116 -3.905 -11.055 -15.662 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.364 -12.415 -15.134 1.00 0.00 C ATOM 1770 CD GLU A 116 -4.623 -12.318 -13.628 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -4.337 -11.275 -13.065 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.103 -13.288 -13.065 1.00 0.00 O ATOM 0 H GLU A 116 -2.999 -8.724 -15.405 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.366 -11.021 -14.131 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.574 -10.271 -15.308 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.947 -11.043 -16.751 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.271 -12.730 -15.650 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.604 -13.170 -15.335 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.197 -11.273 -17.198 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.273 -12.108 -18.021 1.00 0.00 C ATOM 1781 C ARG A 117 1.184 -11.802 -17.656 1.00 0.00 C ATOM 1782 O ARG A 117 2.015 -12.688 -17.617 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.528 -11.841 -19.512 1.00 0.00 C ATOM 1784 CG ARG A 117 -0.279 -10.371 -19.844 1.00 0.00 C ATOM 1785 CD ARG A 117 0.076 -10.237 -21.326 1.00 0.00 C ATOM 1786 NE ARG A 117 1.534 -10.481 -21.512 1.00 0.00 N ATOM 1787 CZ ARG A 117 2.403 -9.614 -21.067 1.00 0.00 C ATOM 1788 NH1 ARG A 117 2.412 -8.398 -21.542 1.00 0.00 N ATOM 1789 NH2 ARG A 117 3.262 -9.964 -20.148 1.00 0.00 N ATOM 0 H ARG A 117 -1.540 -10.425 -17.650 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.460 -13.162 -17.816 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.124 -12.472 -20.117 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.554 -12.108 -19.765 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.166 -9.780 -19.617 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.531 -9.980 -19.228 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.501 -10.950 -21.915 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.186 -9.242 -21.685 1.00 0.00 H new ATOM 0 HE ARG A 117 1.853 -11.325 -21.987 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.741 -8.126 -22.260 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.090 -7.720 -21.195 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.254 -10.914 -19.778 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.941 -9.287 -19.800 1.00 0.00 H new ATOM 1803 N ALA A 118 1.504 -10.572 -17.368 1.00 0.00 N ATOM 1804 CA ALA A 118 2.906 -10.248 -16.984 1.00 0.00 C ATOM 1805 C ALA A 118 3.247 -11.024 -15.712 1.00 0.00 C ATOM 1806 O ALA A 118 4.127 -11.861 -15.702 1.00 0.00 O ATOM 1807 CB ALA A 118 3.034 -8.745 -16.722 1.00 0.00 C ATOM 0 H ALA A 118 0.860 -9.781 -17.382 1.00 0.00 H new ATOM 0 HA ALA A 118 3.590 -10.524 -17.787 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.061 -8.511 -16.441 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.770 -8.194 -17.625 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.362 -8.458 -15.913 1.00 0.00 H new ATOM 1813 N ILE A 119 2.545 -10.743 -14.643 1.00 0.00 N ATOM 1814 CA ILE A 119 2.785 -11.443 -13.353 1.00 0.00 C ATOM 1815 C ILE A 119 3.206 -12.893 -13.597 1.00 0.00 C ATOM 1816 O ILE A 119 4.061 -13.409 -12.908 1.00 0.00 O ATOM 1817 CB ILE A 119 1.482 -11.450 -12.564 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.887 -10.042 -12.512 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.748 -11.937 -11.137 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.277 -10.042 -11.527 1.00 0.00 C ATOM 0 H ILE A 119 1.803 -10.044 -14.614 1.00 0.00 H new ATOM 0 HA ILE A 119 3.577 -10.928 -12.809 1.00 0.00 H new ATOM 0 HB ILE A 119 0.777 -12.119 -13.058 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.645 -9.322 -12.202 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.545 -9.739 -13.502 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.815 -11.941 -10.574 1.00 0.00 H new ATOM 0 HG22 ILE A 119 2.158 -12.946 -11.168 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.461 -11.270 -10.652 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.713 -9.044 -11.478 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.034 -10.753 -11.858 1.00 0.00 H new ATOM 0 HD13 ILE A 119 0.082 -10.329 -10.539 1.00 0.00 H new ATOM 1832 N SER A 120 2.591 -13.540 -14.574 1.00 0.00 N ATOM 1833 CA SER A 120 2.899 -14.974 -14.913 1.00 0.00 C ATOM 1834 C SER A 120 4.064 -15.501 -14.081 1.00 0.00 C ATOM 1835 O SER A 120 3.885 -16.324 -13.209 1.00 0.00 O ATOM 1836 CB SER A 120 3.262 -15.068 -16.395 1.00 0.00 C ATOM 1837 OG SER A 120 3.870 -16.328 -16.650 1.00 0.00 O ATOM 0 H SER A 120 1.872 -13.120 -15.162 1.00 0.00 H new ATOM 0 HA SER A 120 2.018 -15.577 -14.693 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.369 -14.951 -17.008 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.943 -14.261 -16.667 1.00 0.00 H new ATOM 0 HG SER A 120 3.957 -16.459 -17.617 1.00 0.00 H new ATOM 1843 N HIS A 121 5.243 -14.998 -14.353 1.00 0.00 N ATOM 1844 CA HIS A 121 6.481 -15.412 -13.609 1.00 0.00 C ATOM 1845 C HIS A 121 7.649 -15.475 -14.590 1.00 0.00 C ATOM 1846 O HIS A 121 8.295 -16.496 -14.724 1.00 0.00 O ATOM 1847 CB HIS A 121 6.313 -16.792 -12.963 1.00 0.00 C ATOM 1848 CG HIS A 121 5.796 -16.628 -11.559 1.00 0.00 C ATOM 1849 ND1 HIS A 121 5.483 -17.711 -10.753 1.00 0.00 N ATOM 1850 CD2 HIS A 121 5.528 -15.512 -10.807 1.00 0.00 C ATOM 1851 CE1 HIS A 121 5.049 -17.228 -9.575 1.00 0.00 C ATOM 1852 NE2 HIS A 121 5.056 -15.892 -9.554 1.00 0.00 N ATOM 0 H HIS A 121 5.406 -14.299 -15.078 1.00 0.00 H new ATOM 0 HA HIS A 121 6.666 -14.681 -12.822 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.621 -17.398 -13.548 1.00 0.00 H new ATOM 0 HB3 HIS A 121 7.267 -17.319 -12.952 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.663 -14.493 -11.137 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.733 -17.845 -8.747 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.776 -15.282 -8.786 1.00 0.00 H new ATOM 1860 N TYR A 122 7.929 -14.389 -15.269 1.00 0.00 N ATOM 1861 CA TYR A 122 9.049 -14.365 -16.238 1.00 0.00 C ATOM 1862 C TYR A 122 9.153 -15.717 -16.945 1.00 0.00 C ATOM 1863 O TYR A 122 10.223 -16.165 -17.305 1.00 0.00 O ATOM 1864 CB TYR A 122 10.336 -14.064 -15.483 1.00 0.00 C ATOM 1865 CG TYR A 122 10.043 -13.188 -14.288 1.00 0.00 C ATOM 1866 CD1 TYR A 122 9.706 -13.768 -13.059 1.00 0.00 C ATOM 1867 CD2 TYR A 122 10.107 -11.794 -14.410 1.00 0.00 C ATOM 1868 CE1 TYR A 122 9.433 -12.956 -11.952 1.00 0.00 C ATOM 1869 CE2 TYR A 122 9.834 -10.981 -13.302 1.00 0.00 C ATOM 1870 CZ TYR A 122 9.497 -11.563 -12.074 1.00 0.00 C ATOM 1871 OH TYR A 122 9.230 -10.761 -10.982 1.00 0.00 O ATOM 0 H TYR A 122 7.417 -13.511 -15.186 1.00 0.00 H new ATOM 0 HA TYR A 122 8.877 -13.596 -16.991 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.802 -14.994 -15.157 1.00 0.00 H new ATOM 0 HB3 TYR A 122 11.046 -13.566 -16.143 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.657 -14.843 -12.965 1.00 0.00 H new ATOM 0 HD2 TYR A 122 10.367 -11.346 -15.358 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.173 -13.404 -11.004 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.883 -9.906 -13.395 1.00 0.00 H new ATOM 0 HH TYR A 122 9.320 -9.819 -11.238 1.00 0.00 H new ATOM 1881 N GLN A 123 8.040 -16.372 -17.136 1.00 0.00 N ATOM 1882 CA GLN A 123 8.054 -17.699 -17.808 1.00 0.00 C ATOM 1883 C GLN A 123 8.411 -17.528 -19.285 1.00 0.00 C ATOM 1884 O GLN A 123 8.647 -18.488 -19.989 1.00 0.00 O ATOM 1885 CB GLN A 123 6.672 -18.341 -17.688 1.00 0.00 C ATOM 1886 CG GLN A 123 6.631 -19.217 -16.437 1.00 0.00 C ATOM 1887 CD GLN A 123 6.067 -20.592 -16.795 1.00 0.00 C ATOM 1888 OE1 GLN A 123 4.906 -20.716 -17.133 1.00 0.00 O ATOM 1889 NE2 GLN A 123 6.844 -21.639 -16.734 1.00 0.00 N ATOM 0 H GLN A 123 7.117 -16.041 -16.853 1.00 0.00 H new ATOM 0 HA GLN A 123 8.798 -18.338 -17.332 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.904 -17.570 -17.632 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.458 -18.940 -18.573 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.633 -19.321 -16.020 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.014 -18.747 -15.671 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.818 -21.535 -16.450 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.477 -22.561 -16.970 1.00 0.00 H new ATOM 1898 N GLU A 124 8.454 -16.313 -19.759 1.00 0.00 N ATOM 1899 CA GLU A 124 8.798 -16.085 -21.191 1.00 0.00 C ATOM 1900 C GLU A 124 7.754 -16.759 -22.084 1.00 0.00 C ATOM 1901 O GLU A 124 8.026 -17.849 -22.563 1.00 0.00 O ATOM 1902 CB GLU A 124 10.181 -16.675 -21.481 1.00 0.00 C ATOM 1903 CG GLU A 124 11.256 -15.789 -20.851 1.00 0.00 C ATOM 1904 CD GLU A 124 12.292 -16.665 -20.145 1.00 0.00 C ATOM 1905 OE1 GLU A 124 12.289 -17.861 -20.384 1.00 0.00 O ATOM 1906 OE2 GLU A 124 13.072 -16.124 -19.377 1.00 0.00 O ATOM 1907 OXT GLU A 124 6.701 -16.175 -22.276 1.00 0.00 O ATOM 0 H GLU A 124 8.266 -15.469 -19.217 1.00 0.00 H new ATOM 0 HA GLU A 124 8.809 -15.015 -21.397 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.248 -17.687 -21.080 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.339 -16.747 -22.557 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.739 -15.184 -21.618 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.802 -15.099 -20.139 1.00 0.00 H new TER 1914 GLU A 124