USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1036 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 125 GLN : amide:sc= -0.207 K(o=-8.6,f=-10!) USER MOD Set 1.2: A 127 GLN : amide:sc= -8.42! C(o=-8.6!,f=-13!) USER MOD Set 2.1: A 70 TYR OH : rot 135:sc= -1.02 USER MOD Set 2.2: A 71 ASN : amide:sc= -7.39! C(o=-8.4!,f=-16!) USER MOD Single : A 1 MET CE :methyl 176:sc= -0.484 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.015) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.28) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -1.89 K(o=-1.9,f=-14!) USER MOD Single : A 40 HIS : no HD1:sc= -3.62 K(o=-3.6,f=-2) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.9!) USER MOD Single : A 55 ASN : amide:sc= -0.386 K(o=-0.39,f=-7.3!) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= -0.767 (180deg=-0.89) USER MOD Single : A 72 ASN : amide:sc= -4.87 K(o=-4.9,f=-4.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.29) USER MOD Single : A 75 ASN : amide:sc= -0.587 K(o=-0.59,f=-0.03) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.137 (180deg=-0.619) USER MOD Single : A 89 GLN : amide:sc= -8 K(o=-8,f=-6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 141:sc= -2.84 (180deg=-5.45!) USER MOD Single : A 95 MET CE :methyl 166:sc= -6.96! (180deg=-7.91!) USER MOD Single : A 96 HIS : no HE2:sc= -3.12 K(o=-3.1,f=-6.9!) USER MOD Single : A 97 TYR OH : rot -23:sc= 0.36 USER MOD Single : A 99 THR OG1 : rot 170:sc= -2.03 USER MOD Single : A 103 ASN : amide:sc= -0.0694 K(o=-0.069,f=-5.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= -1.03 (180deg=-1.35) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 114 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0672) USER MOD Single : A 118 GLN : amide:sc= -6.66 K(o=-6.7,f=-14!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.24) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.893 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.930 3.887 19.564 1.00 0.00 N ATOM 2 CA MET A 1 10.722 4.001 18.311 1.00 0.00 C ATOM 3 C MET A 1 11.062 5.455 18.004 1.00 0.00 C ATOM 4 O MET A 1 10.505 6.374 18.606 1.00 0.00 O ATOM 5 CB MET A 1 9.909 3.395 17.165 1.00 0.00 C ATOM 6 CG MET A 1 10.754 2.637 16.154 1.00 0.00 C ATOM 7 SD MET A 1 10.112 2.767 14.475 1.00 0.00 S ATOM 8 CE MET A 1 10.367 1.095 13.884 1.00 0.00 C ATOM 0 H1 MET A 1 9.713 2.887 19.748 1.00 0.00 H new ATOM 0 H2 MET A 1 10.479 4.274 20.358 1.00 0.00 H new ATOM 0 H3 MET A 1 9.043 4.421 19.464 1.00 0.00 H new ATOM 0 HA MET A 1 11.662 3.463 18.431 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.160 2.720 17.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.371 4.192 16.652 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.774 3.020 16.179 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.801 1.586 16.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.954 0.997 12.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.435 0.877 13.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.868 0.393 14.552 1.00 0.00 H new ATOM 20 N ALA A 2 11.980 5.658 17.064 1.00 0.00 N ATOM 21 CA ALA A 2 12.394 7.001 16.676 1.00 0.00 C ATOM 22 C ALA A 2 11.206 7.824 16.189 1.00 0.00 C ATOM 23 O ALA A 2 11.191 9.048 16.317 1.00 0.00 O ATOM 24 CB ALA A 2 13.467 6.932 15.600 1.00 0.00 C ATOM 0 H ALA A 2 12.451 4.909 16.557 1.00 0.00 H new ATOM 0 HA ALA A 2 12.807 7.495 17.555 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.767 7.942 15.320 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.332 6.390 15.983 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.072 6.415 14.725 1.00 0.00 H new ATOM 30 N ASP A 3 10.210 7.143 15.630 1.00 0.00 N ATOM 31 CA ASP A 3 9.016 7.810 15.123 1.00 0.00 C ATOM 32 C ASP A 3 9.365 8.767 13.989 1.00 0.00 C ATOM 33 O ASP A 3 8.703 9.787 13.798 1.00 0.00 O ATOM 34 CB ASP A 3 8.313 8.570 16.249 1.00 0.00 C ATOM 35 CG ASP A 3 8.139 7.726 17.497 1.00 0.00 C ATOM 36 OD1 ASP A 3 7.881 6.512 17.361 1.00 0.00 O ATOM 37 OD2 ASP A 3 8.261 8.279 18.610 1.00 0.00 O1- ATOM 0 H ASP A 3 10.206 6.129 15.517 1.00 0.00 H new ATOM 0 HA ASP A 3 8.343 7.046 14.734 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.888 9.463 16.495 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.336 8.906 15.902 1.00 0.00 H new ATOM 42 N GLU A 4 10.408 8.431 13.236 1.00 0.00 N ATOM 43 CA GLU A 4 10.842 9.262 12.119 1.00 0.00 C ATOM 44 C GLU A 4 9.825 9.217 10.984 1.00 0.00 C ATOM 45 O GLU A 4 9.397 10.254 10.477 1.00 0.00 O ATOM 46 CB GLU A 4 12.209 8.800 11.613 1.00 0.00 C ATOM 47 CG GLU A 4 13.376 9.390 12.388 1.00 0.00 C ATOM 48 CD GLU A 4 14.605 9.596 11.524 1.00 0.00 C ATOM 49 OE1 GLU A 4 14.482 10.237 10.460 1.00 0.00 O1- ATOM 50 OE2 GLU A 4 15.691 9.116 11.913 1.00 0.00 O ATOM 0 H GLU A 4 10.967 7.590 13.379 1.00 0.00 H new ATOM 0 HA GLU A 4 10.923 10.290 12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.259 7.713 11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.308 9.070 10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.075 10.345 12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.627 8.730 13.218 1.00 0.00 H new ATOM 57 N GLN A 5 9.441 8.008 10.592 1.00 0.00 N ATOM 58 CA GLN A 5 8.473 7.822 9.518 1.00 0.00 C ATOM 59 C GLN A 5 7.063 8.179 9.985 1.00 0.00 C ATOM 60 O GLN A 5 6.426 9.075 9.433 1.00 0.00 O ATOM 61 CB GLN A 5 8.508 6.377 9.015 1.00 0.00 C ATOM 62 CG GLN A 5 9.443 6.166 7.836 1.00 0.00 C ATOM 63 CD GLN A 5 10.886 6.491 8.171 1.00 0.00 C ATOM 64 OE1 GLN A 5 11.517 5.808 8.977 1.00 0.00 O ATOM 65 NE2 GLN A 5 11.415 7.540 7.552 1.00 0.00 N ATOM 0 H GLN A 5 9.786 7.140 11.003 1.00 0.00 H new ATOM 0 HA GLN A 5 8.744 8.490 8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.814 5.724 9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.500 6.077 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.375 5.130 7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.118 6.789 7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.855 8.078 6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.382 7.808 7.738 1.00 0.00 H new ATOM 74 N PRO A 6 6.554 7.478 11.015 1.00 0.00 N ATOM 75 CA PRO A 6 5.213 7.728 11.551 1.00 0.00 C ATOM 76 C PRO A 6 5.133 9.040 12.325 1.00 0.00 C ATOM 77 O PRO A 6 6.093 9.809 12.362 1.00 0.00 O ATOM 78 CB PRO A 6 4.977 6.540 12.486 1.00 0.00 C ATOM 79 CG PRO A 6 6.341 6.115 12.906 1.00 0.00 C ATOM 80 CD PRO A 6 7.244 6.390 11.735 1.00 0.00 C ATOM 0 HA PRO A 6 4.469 7.819 10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.369 6.826 13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.450 5.733 11.977 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.667 6.667 13.787 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.356 5.057 13.169 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.240 6.692 12.059 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.366 5.508 11.107 1.00 0.00 H new ATOM 88 N LYS A 7 3.982 9.288 12.942 1.00 0.00 N ATOM 89 CA LYS A 7 3.777 10.507 13.715 1.00 0.00 C ATOM 90 C LYS A 7 3.915 11.743 12.831 1.00 0.00 C ATOM 91 O LYS A 7 4.482 12.755 13.244 1.00 0.00 O ATOM 92 CB LYS A 7 4.777 10.577 14.871 1.00 0.00 C ATOM 93 CG LYS A 7 4.305 9.864 16.128 1.00 0.00 C ATOM 94 CD LYS A 7 4.399 8.354 15.980 1.00 0.00 C ATOM 95 CE LYS A 7 3.050 7.743 15.635 1.00 0.00 C ATOM 96 NZ LYS A 7 2.845 6.432 16.310 1.00 0.00 N1+ ATOM 0 H LYS A 7 3.178 8.661 12.922 1.00 0.00 H new ATOM 0 HA LYS A 7 2.765 10.485 14.120 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.723 10.141 14.549 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.973 11.623 15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.907 10.186 16.978 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.274 10.146 16.342 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.121 8.108 15.201 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.770 7.919 16.908 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.255 8.430 15.927 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.977 7.611 14.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.914 6.049 16.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.588 5.768 16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.889 6.562 17.341 1.00 0.00 H new ATOM 110 N LYS A 8 3.394 11.652 11.611 1.00 0.00 N ATOM 111 CA LYS A 8 3.459 12.762 10.668 1.00 0.00 C ATOM 112 C LYS A 8 2.155 12.889 9.885 1.00 0.00 C ATOM 113 O LYS A 8 1.355 11.955 9.839 1.00 0.00 O ATOM 114 CB LYS A 8 4.631 12.570 9.703 1.00 0.00 C ATOM 115 CG LYS A 8 5.931 13.183 10.195 1.00 0.00 C ATOM 116 CD LYS A 8 7.107 12.765 9.327 1.00 0.00 C ATOM 117 CE LYS A 8 7.291 13.704 8.147 1.00 0.00 C ATOM 118 NZ LYS A 8 6.559 13.229 6.940 1.00 0.00 N1+ ATOM 0 H LYS A 8 2.923 10.821 11.253 1.00 0.00 H new ATOM 0 HA LYS A 8 3.611 13.680 11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.782 11.504 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.373 13.010 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.845 14.270 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.111 12.878 11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.017 12.751 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.949 11.749 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.939 14.700 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.353 13.793 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.240 13.004 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.012 12.377 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.913 13.974 6.610 1.00 0.00 H new ATOM 132 N PRO A 9 1.923 14.054 9.255 1.00 0.00 N ATOM 133 CA PRO A 9 0.708 14.299 8.471 1.00 0.00 C ATOM 134 C PRO A 9 0.676 13.483 7.183 1.00 0.00 C ATOM 135 O PRO A 9 1.599 12.721 6.896 1.00 0.00 O ATOM 136 CB PRO A 9 0.784 15.795 8.155 1.00 0.00 C ATOM 137 CG PRO A 9 2.236 16.119 8.205 1.00 0.00 C ATOM 138 CD PRO A 9 2.825 15.221 9.258 1.00 0.00 C ATOM 0 HA PRO A 9 -0.192 14.010 9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.363 16.014 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.222 16.382 8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.708 15.947 7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.393 17.168 8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.850 14.938 9.017 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.850 15.707 10.233 1.00 0.00 H new ATOM 146 N VAL A 10 -0.393 13.648 6.411 1.00 0.00 N ATOM 147 CA VAL A 10 -0.546 12.927 5.153 1.00 0.00 C ATOM 148 C VAL A 10 -0.844 13.887 4.002 1.00 0.00 C ATOM 149 O VAL A 10 -1.342 14.992 4.217 1.00 0.00 O ATOM 150 CB VAL A 10 -1.665 11.867 5.247 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.501 11.028 6.504 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.039 12.522 5.213 1.00 0.00 C ATOM 0 H VAL A 10 -1.166 14.275 6.635 1.00 0.00 H new ATOM 0 HA VAL A 10 0.399 12.421 4.955 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.584 11.210 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.298 10.287 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.536 10.522 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.551 11.673 7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.810 11.754 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.136 13.208 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.156 13.073 4.280 1.00 0.00 H new ATOM 162 N PRO A 11 -0.543 13.475 2.759 1.00 0.00 N ATOM 163 CA PRO A 11 -0.780 14.302 1.573 1.00 0.00 C ATOM 164 C PRO A 11 -2.257 14.371 1.201 1.00 0.00 C ATOM 165 O PRO A 11 -3.123 13.960 1.974 1.00 0.00 O ATOM 166 CB PRO A 11 0.014 13.585 0.482 1.00 0.00 C ATOM 167 CG PRO A 11 0.035 12.158 0.909 1.00 0.00 C ATOM 168 CD PRO A 11 0.054 12.171 2.415 1.00 0.00 C ATOM 0 HA PRO A 11 -0.479 15.338 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.459 13.700 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.023 13.988 0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.840 11.627 0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.912 11.646 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.522 11.344 2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.068 12.079 2.804 1.00 0.00 H new ATOM 176 N ALA A 12 -2.539 14.892 0.011 1.00 0.00 N ATOM 177 CA ALA A 12 -3.911 15.014 -0.464 1.00 0.00 C ATOM 178 C ALA A 12 -4.466 13.660 -0.893 1.00 0.00 C ATOM 179 O ALA A 12 -3.855 12.621 -0.645 1.00 0.00 O ATOM 180 CB ALA A 12 -3.984 16.005 -1.616 1.00 0.00 C ATOM 0 H ALA A 12 -1.835 15.236 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.523 15.384 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.015 16.086 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.636 16.981 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.354 15.658 -2.435 1.00 0.00 H new ATOM 186 N ALA A 13 -5.628 13.680 -1.539 1.00 0.00 N ATOM 187 CA ALA A 13 -6.265 12.453 -2.003 1.00 0.00 C ATOM 188 C ALA A 13 -5.836 12.117 -3.427 1.00 0.00 C ATOM 189 O ALA A 13 -5.173 12.913 -4.091 1.00 0.00 O ATOM 190 CB ALA A 13 -7.778 12.582 -1.922 1.00 0.00 C ATOM 0 H ALA A 13 -6.147 14.532 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.945 11.638 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.241 11.659 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.073 12.767 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.106 13.412 -2.547 1.00 0.00 H new ATOM 196 N GLU A 14 -6.220 10.932 -3.891 1.00 0.00 N ATOM 197 CA GLU A 14 -5.876 10.490 -5.237 1.00 0.00 C ATOM 198 C GLU A 14 -6.947 9.558 -5.795 1.00 0.00 C ATOM 199 O GLU A 14 -7.968 9.315 -5.152 1.00 0.00 O ATOM 200 CB GLU A 14 -4.520 9.782 -5.232 1.00 0.00 C ATOM 201 CG GLU A 14 -3.344 10.717 -5.463 1.00 0.00 C ATOM 202 CD GLU A 14 -2.155 10.388 -4.582 1.00 0.00 C ATOM 203 OE1 GLU A 14 -2.372 9.954 -3.431 1.00 0.00 O ATOM 204 OE2 GLU A 14 -1.008 10.563 -5.043 1.00 0.00 O1- ATOM 0 H GLU A 14 -6.770 10.261 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.817 11.370 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.388 9.275 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.519 9.012 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.042 10.663 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.658 11.743 -5.274 1.00 0.00 H new ATOM 211 N GLU A 15 -6.707 9.039 -6.994 1.00 0.00 N ATOM 212 CA GLU A 15 -7.651 8.134 -7.638 1.00 0.00 C ATOM 213 C GLU A 15 -6.940 7.223 -8.634 1.00 0.00 C ATOM 214 O GLU A 15 -5.713 7.237 -8.736 1.00 0.00 O ATOM 215 CB GLU A 15 -8.748 8.929 -8.350 1.00 0.00 C ATOM 216 CG GLU A 15 -8.231 9.792 -9.490 1.00 0.00 C ATOM 217 CD GLU A 15 -9.183 9.829 -10.670 1.00 0.00 C ATOM 218 OE1 GLU A 15 -9.909 8.834 -10.878 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.202 10.852 -11.385 1.00 0.00 O1- ATOM 0 H GLU A 15 -5.867 9.230 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.105 7.513 -6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.493 8.235 -8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.254 9.566 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.068 10.807 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.264 9.412 -9.819 1.00 0.00 H new ATOM 226 N ALA A 16 -7.718 6.433 -9.366 1.00 0.00 N ATOM 227 CA ALA A 16 -7.162 5.516 -10.354 1.00 0.00 C ATOM 228 C ALA A 16 -6.898 6.229 -11.678 1.00 0.00 C ATOM 229 O ALA A 16 -7.529 7.240 -11.984 1.00 0.00 O ATOM 230 CB ALA A 16 -8.100 4.337 -10.565 1.00 0.00 C ATOM 0 H ALA A 16 -8.735 6.409 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.210 5.146 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.673 3.660 -11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.235 3.806 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.065 4.699 -10.919 1.00 0.00 H new ATOM 236 N PRO A 17 -5.957 5.708 -12.484 1.00 0.00 N ATOM 237 CA PRO A 17 -5.612 6.300 -13.781 1.00 0.00 C ATOM 238 C PRO A 17 -6.724 6.126 -14.810 1.00 0.00 C ATOM 239 O PRO A 17 -7.722 5.453 -14.552 1.00 0.00 O ATOM 240 CB PRO A 17 -4.364 5.524 -14.206 1.00 0.00 C ATOM 241 CG PRO A 17 -4.474 4.215 -13.504 1.00 0.00 C ATOM 242 CD PRO A 17 -5.156 4.502 -12.196 1.00 0.00 C ATOM 0 HA PRO A 17 -5.456 7.376 -13.709 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.329 5.392 -15.287 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.454 6.051 -13.920 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.049 3.502 -14.095 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.490 3.775 -13.343 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.784 3.669 -11.879 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.435 4.680 -11.398 1.00 0.00 H new ATOM 250 N ALA A 18 -6.543 6.736 -15.977 1.00 0.00 N ATOM 251 CA ALA A 18 -7.531 6.649 -17.045 1.00 0.00 C ATOM 252 C ALA A 18 -7.037 5.755 -18.178 1.00 0.00 C ATOM 253 O ALA A 18 -6.518 6.240 -19.183 1.00 0.00 O ATOM 254 CB ALA A 18 -7.862 8.037 -17.572 1.00 0.00 C ATOM 0 H ALA A 18 -5.722 7.295 -16.207 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.436 6.203 -16.633 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.601 7.957 -18.369 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.265 8.647 -16.763 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.957 8.504 -17.962 1.00 0.00 H new ATOM 260 N ALA A 19 -7.202 4.447 -18.007 1.00 0.00 N ATOM 261 CA ALA A 19 -6.773 3.486 -19.015 1.00 0.00 C ATOM 262 C ALA A 19 -7.721 2.293 -19.075 1.00 0.00 C ATOM 263 O ALA A 19 -8.357 2.044 -20.099 1.00 0.00 O ATOM 264 CB ALA A 19 -5.353 3.019 -18.728 1.00 0.00 C ATOM 0 H ALA A 19 -7.629 4.029 -17.180 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.792 3.982 -19.985 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.045 2.301 -19.489 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.678 3.875 -18.743 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.317 2.546 -17.747 1.00 0.00 H new ATOM 270 N GLU A 20 -7.810 1.559 -17.971 1.00 0.00 N ATOM 271 CA GLU A 20 -8.682 0.392 -17.898 1.00 0.00 C ATOM 272 C GLU A 20 -8.280 -0.653 -18.935 1.00 0.00 C ATOM 273 O GLU A 20 -7.409 -0.410 -19.769 1.00 0.00 O ATOM 274 CB GLU A 20 -10.140 0.804 -18.110 1.00 0.00 C ATOM 275 CG GLU A 20 -10.817 1.314 -16.849 1.00 0.00 C ATOM 276 CD GLU A 20 -12.306 1.530 -17.034 1.00 0.00 C ATOM 277 OE1 GLU A 20 -12.738 1.731 -18.189 1.00 0.00 O ATOM 278 OE2 GLU A 20 -13.041 1.497 -16.024 1.00 0.00 O1- ATOM 0 H GLU A 20 -7.290 1.751 -17.115 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.577 -0.047 -16.906 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.182 1.580 -18.874 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.699 -0.050 -18.492 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.655 0.602 -16.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.352 2.252 -16.545 1.00 0.00 H new ATOM 285 N ALA A 21 -8.922 -1.815 -18.875 1.00 0.00 N ATOM 286 CA ALA A 21 -8.632 -2.896 -19.809 1.00 0.00 C ATOM 287 C ALA A 21 -7.176 -3.336 -19.705 1.00 0.00 C ATOM 288 O ALA A 21 -6.267 -2.604 -20.095 1.00 0.00 O ATOM 289 CB ALA A 21 -8.955 -2.465 -21.232 1.00 0.00 C ATOM 0 H ALA A 21 -9.646 -2.032 -18.190 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.261 -3.747 -19.547 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.734 -3.282 -21.919 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.012 -2.207 -21.303 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.351 -1.596 -21.495 1.00 0.00 H new ATOM 295 N GLU A 22 -6.962 -4.536 -19.176 1.00 0.00 N ATOM 296 CA GLU A 22 -5.615 -5.074 -19.020 1.00 0.00 C ATOM 297 C GLU A 22 -4.773 -4.177 -18.119 1.00 0.00 C ATOM 298 O GLU A 22 -4.305 -3.119 -18.540 1.00 0.00 O ATOM 299 CB GLU A 22 -4.942 -5.221 -20.386 1.00 0.00 C ATOM 300 CG GLU A 22 -3.912 -6.338 -20.438 1.00 0.00 C ATOM 301 CD GLU A 22 -3.963 -7.117 -21.738 1.00 0.00 C ATOM 302 OE1 GLU A 22 -3.443 -6.611 -22.754 1.00 0.00 O ATOM 303 OE2 GLU A 22 -4.524 -8.233 -21.740 1.00 0.00 O1- ATOM 0 H GLU A 22 -7.704 -5.155 -18.848 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.693 -6.056 -18.554 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.706 -5.407 -21.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.459 -4.280 -20.647 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.916 -5.915 -20.311 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.078 -7.019 -19.603 1.00 0.00 H new ATOM 310 N ALA A 23 -4.582 -4.608 -16.876 1.00 0.00 N ATOM 311 CA ALA A 23 -3.796 -3.845 -15.915 1.00 0.00 C ATOM 312 C ALA A 23 -3.124 -4.765 -14.901 1.00 0.00 C ATOM 313 O ALA A 23 -3.005 -4.427 -13.724 1.00 0.00 O ATOM 314 CB ALA A 23 -4.675 -2.827 -15.204 1.00 0.00 C ATOM 0 H ALA A 23 -4.961 -5.482 -16.511 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.015 -3.316 -16.461 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.075 -2.264 -14.489 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.104 -2.143 -15.936 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.477 -3.344 -14.677 1.00 0.00 H new ATOM 320 N GLU A 24 -2.685 -5.930 -15.367 1.00 0.00 N ATOM 321 CA GLU A 24 -2.024 -6.899 -14.501 1.00 0.00 C ATOM 322 C GLU A 24 -0.732 -7.404 -15.136 1.00 0.00 C ATOM 323 O GLU A 24 -0.605 -7.445 -16.360 1.00 0.00 O ATOM 324 CB GLU A 24 -2.958 -8.076 -14.212 1.00 0.00 C ATOM 325 CG GLU A 24 -3.834 -7.871 -12.987 1.00 0.00 C ATOM 326 CD GLU A 24 -3.058 -7.989 -11.690 1.00 0.00 C ATOM 327 OE1 GLU A 24 -2.586 -9.103 -11.380 1.00 0.00 O ATOM 328 OE2 GLU A 24 -2.923 -6.968 -10.983 1.00 0.00 O1- ATOM 0 H GLU A 24 -2.775 -6.225 -16.339 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.776 -6.402 -13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.595 -8.245 -15.080 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.361 -8.978 -14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.301 -6.887 -13.039 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.639 -8.606 -12.993 1.00 0.00 H new ATOM 335 N GLU A 25 0.223 -7.788 -14.296 1.00 0.00 N ATOM 336 CA GLU A 25 1.505 -8.291 -14.775 1.00 0.00 C ATOM 337 C GLU A 25 1.881 -9.587 -14.064 1.00 0.00 C ATOM 338 O GLU A 25 2.079 -10.621 -14.701 1.00 0.00 O ATOM 339 CB GLU A 25 2.599 -7.243 -14.562 1.00 0.00 C ATOM 340 CG GLU A 25 3.803 -7.427 -15.471 1.00 0.00 C ATOM 341 CD GLU A 25 5.085 -6.903 -14.854 1.00 0.00 C ATOM 342 OE1 GLU A 25 5.360 -5.693 -14.996 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 5.814 -7.702 -14.231 1.00 0.00 O ATOM 0 H GLU A 25 0.134 -7.761 -13.280 1.00 0.00 H new ATOM 0 HA GLU A 25 1.411 -8.497 -15.841 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.178 -6.251 -14.727 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.929 -7.280 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.921 -8.486 -15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.622 -6.914 -16.415 1.00 0.00 H new ATOM 350 N GLU A 26 1.978 -9.523 -12.740 1.00 0.00 N ATOM 351 CA GLU A 26 2.330 -10.692 -11.942 1.00 0.00 C ATOM 352 C GLU A 26 1.153 -11.658 -11.842 1.00 0.00 C ATOM 353 O GLU A 26 1.339 -12.871 -11.753 1.00 0.00 O ATOM 354 CB GLU A 26 2.775 -10.265 -10.542 1.00 0.00 C ATOM 355 CG GLU A 26 3.196 -11.427 -9.657 1.00 0.00 C ATOM 356 CD GLU A 26 4.638 -11.838 -9.881 1.00 0.00 C ATOM 357 OE1 GLU A 26 5.175 -11.551 -10.972 1.00 0.00 O ATOM 358 OE2 GLU A 26 5.231 -12.446 -8.965 1.00 0.00 O1- ATOM 0 H GLU A 26 1.818 -8.674 -12.197 1.00 0.00 H new ATOM 0 HA GLU A 26 3.155 -11.204 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.607 -9.567 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.959 -9.728 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.059 -11.151 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.545 -12.280 -9.849 1.00 0.00 H new ATOM 365 N GLU A 27 -0.058 -11.110 -11.859 1.00 0.00 N ATOM 366 CA GLU A 27 -1.265 -11.922 -11.770 1.00 0.00 C ATOM 367 C GLU A 27 -1.305 -12.697 -10.457 1.00 0.00 C ATOM 368 O GLU A 27 -0.493 -13.595 -10.229 1.00 0.00 O ATOM 369 CB GLU A 27 -1.341 -12.893 -12.950 1.00 0.00 C ATOM 370 CG GLU A 27 -2.757 -13.145 -13.441 1.00 0.00 C ATOM 371 CD GLU A 27 -3.456 -14.243 -12.663 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.934 -15.377 -12.638 1.00 0.00 O ATOM 373 OE2 GLU A 27 -4.526 -13.969 -12.080 1.00 0.00 O1- ATOM 0 H GLU A 27 -0.229 -10.107 -11.934 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.125 -11.253 -11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.745 -12.499 -13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.892 -13.842 -12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.335 -12.224 -13.362 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.729 -13.414 -14.497 1.00 0.00 H new ATOM 380 N GLY A 28 -2.254 -12.345 -9.595 1.00 0.00 N ATOM 381 CA GLY A 28 -2.381 -13.017 -8.316 1.00 0.00 C ATOM 382 C GLY A 28 -3.803 -13.459 -8.032 1.00 0.00 C ATOM 383 O GLY A 28 -4.092 -14.655 -7.991 1.00 0.00 O ATOM 0 H GLY A 28 -2.937 -11.606 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.723 -13.886 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.046 -12.348 -7.523 1.00 0.00 H new ATOM 387 N LEU A 29 -4.694 -12.492 -7.835 1.00 0.00 N ATOM 388 CA LEU A 29 -6.093 -12.788 -7.553 1.00 0.00 C ATOM 389 C LEU A 29 -7.015 -11.929 -8.413 1.00 0.00 C ATOM 390 O LEU A 29 -6.554 -11.134 -9.232 1.00 0.00 O ATOM 391 CB LEU A 29 -6.397 -12.556 -6.071 1.00 0.00 C ATOM 392 CG LEU A 29 -5.969 -13.690 -5.138 1.00 0.00 C ATOM 393 CD1 LEU A 29 -6.559 -15.013 -5.600 1.00 0.00 C ATOM 394 CD2 LEU A 29 -4.452 -13.777 -5.066 1.00 0.00 C ATOM 0 H LEU A 29 -4.471 -11.497 -7.866 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.272 -13.836 -7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.902 -11.638 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.469 -12.396 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.349 -13.476 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.244 -15.808 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.647 -14.946 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.210 -15.235 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.165 -14.589 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.051 -13.967 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.051 -12.837 -4.687 1.00 0.00 H new ATOM 406 N HIS A 30 -8.320 -12.094 -8.220 1.00 0.00 N ATOM 407 CA HIS A 30 -9.307 -11.334 -8.978 1.00 0.00 C ATOM 408 C HIS A 30 -9.259 -9.856 -8.605 1.00 0.00 C ATOM 409 O HIS A 30 -9.566 -9.481 -7.474 1.00 0.00 O ATOM 410 CB HIS A 30 -10.710 -11.890 -8.729 1.00 0.00 C ATOM 411 CG HIS A 30 -11.592 -11.852 -9.939 1.00 0.00 C ATOM 412 ND1 HIS A 30 -11.567 -12.822 -10.919 1.00 0.00 N ATOM 413 CD2 HIS A 30 -12.529 -10.954 -10.325 1.00 0.00 C ATOM 414 CE1 HIS A 30 -12.450 -12.522 -11.855 1.00 0.00 C ATOM 415 NE2 HIS A 30 -13.046 -11.394 -11.518 1.00 0.00 N ATOM 0 H HIS A 30 -8.718 -12.747 -7.545 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.068 -11.430 -10.037 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.628 -12.920 -8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.181 -11.320 -7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.816 -10.059 -9.793 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.650 -13.101 -12.744 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.774 -10.925 -12.057 1.00 0.00 H new ATOM 424 N LEU A 31 -8.872 -9.021 -9.564 1.00 0.00 N ATOM 425 CA LEU A 31 -8.784 -7.584 -9.337 1.00 0.00 C ATOM 426 C LEU A 31 -9.412 -6.811 -10.493 1.00 0.00 C ATOM 427 O LEU A 31 -9.977 -7.402 -11.413 1.00 0.00 O ATOM 428 CB LEU A 31 -7.323 -7.163 -9.158 1.00 0.00 C ATOM 429 CG LEU A 31 -6.840 -7.105 -7.707 1.00 0.00 C ATOM 430 CD1 LEU A 31 -7.743 -6.203 -6.880 1.00 0.00 C ATOM 431 CD2 LEU A 31 -6.785 -8.502 -7.108 1.00 0.00 C ATOM 0 H LEU A 31 -8.614 -9.316 -10.506 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.336 -7.350 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.690 -7.859 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.185 -6.181 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.834 -6.686 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.384 -6.174 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.732 -5.196 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.761 -6.592 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.440 -8.442 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.779 -8.948 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.097 -9.119 -7.686 1.00 0.00 H new ATOM 443 N GLU A 32 -9.308 -5.487 -10.439 1.00 0.00 N ATOM 444 CA GLU A 32 -9.866 -4.633 -11.481 1.00 0.00 C ATOM 445 C GLU A 32 -11.379 -4.798 -11.567 1.00 0.00 C ATOM 446 O GLU A 32 -11.889 -5.495 -12.444 1.00 0.00 O ATOM 447 CB GLU A 32 -9.227 -4.957 -12.833 1.00 0.00 C ATOM 448 CG GLU A 32 -7.973 -4.150 -13.123 1.00 0.00 C ATOM 449 CD GLU A 32 -6.735 -4.745 -12.480 1.00 0.00 C ATOM 450 OE1 GLU A 32 -6.551 -4.557 -11.259 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -5.949 -5.398 -13.198 1.00 0.00 O ATOM 0 H GLU A 32 -8.842 -4.982 -9.685 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.646 -3.597 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.981 -6.018 -12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.956 -4.776 -13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.825 -4.090 -14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.110 -3.130 -12.763 1.00 0.00 H new ATOM 458 N ASP A 33 -12.093 -4.152 -10.651 1.00 0.00 N ATOM 459 CA ASP A 33 -13.549 -4.227 -10.623 1.00 0.00 C ATOM 460 C ASP A 33 -14.123 -3.263 -9.589 1.00 0.00 C ATOM 461 O ASP A 33 -15.126 -2.594 -9.839 1.00 0.00 O ATOM 462 CB ASP A 33 -14.001 -5.655 -10.313 1.00 0.00 C ATOM 463 CG ASP A 33 -15.502 -5.828 -10.445 1.00 0.00 C ATOM 464 OD1 ASP A 33 -16.244 -5.181 -9.676 1.00 0.00 O1- ATOM 465 OD2 ASP A 33 -15.935 -6.610 -11.317 1.00 0.00 O ATOM 0 H ASP A 33 -11.687 -3.571 -9.918 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.922 -3.941 -11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.498 -6.347 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.695 -5.918 -9.300 1.00 0.00 H new ATOM 470 N ASP A 34 -13.481 -3.198 -8.427 1.00 0.00 N ATOM 471 CA ASP A 34 -13.927 -2.317 -7.355 1.00 0.00 C ATOM 472 C ASP A 34 -12.824 -1.340 -6.959 1.00 0.00 C ATOM 473 O ASP A 34 -12.731 -0.931 -5.802 1.00 0.00 O ATOM 474 CB ASP A 34 -14.359 -3.137 -6.138 1.00 0.00 C ATOM 475 CG ASP A 34 -15.406 -2.427 -5.303 1.00 0.00 C ATOM 476 OD1 ASP A 34 -16.483 -2.106 -5.848 1.00 0.00 O ATOM 477 OD2 ASP A 34 -15.149 -2.191 -4.104 1.00 0.00 O1- ATOM 0 H ASP A 34 -12.650 -3.746 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.780 -1.745 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.754 -4.096 -6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.487 -3.349 -5.519 1.00 0.00 H new ATOM 482 N GLN A 35 -11.991 -0.972 -7.926 1.00 0.00 N ATOM 483 CA GLN A 35 -10.895 -0.043 -7.679 1.00 0.00 C ATOM 484 C GLN A 35 -9.937 -0.599 -6.629 1.00 0.00 C ATOM 485 O GLN A 35 -9.429 0.139 -5.784 1.00 0.00 O ATOM 486 CB GLN A 35 -11.440 1.313 -7.224 1.00 0.00 C ATOM 487 CG GLN A 35 -10.677 2.497 -7.794 1.00 0.00 C ATOM 488 CD GLN A 35 -10.786 2.589 -9.303 1.00 0.00 C ATOM 489 OE1 GLN A 35 -9.842 2.270 -10.026 1.00 0.00 O ATOM 490 NE2 GLN A 35 -11.943 3.027 -9.788 1.00 0.00 N ATOM 0 H GLN A 35 -12.054 -1.303 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.346 0.089 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.487 1.391 -7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.409 1.361 -6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.056 3.417 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.627 2.417 -7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.699 3.281 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.075 3.110 -10.796 1.00 0.00 H new ATOM 499 N GLU A 36 -9.696 -1.904 -6.688 1.00 0.00 N ATOM 500 CA GLU A 36 -8.799 -2.559 -5.743 1.00 0.00 C ATOM 501 C GLU A 36 -9.305 -2.398 -4.311 1.00 0.00 C ATOM 502 O GLU A 36 -8.923 -1.460 -3.611 1.00 0.00 O ATOM 503 CB GLU A 36 -7.387 -1.984 -5.865 1.00 0.00 C ATOM 504 CG GLU A 36 -6.603 -2.540 -7.043 1.00 0.00 C ATOM 505 CD GLU A 36 -7.279 -2.269 -8.373 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.870 -1.179 -8.527 1.00 0.00 O ATOM 507 OE2 GLU A 36 -7.218 -3.146 -9.260 1.00 0.00 O1- ATOM 0 H GLU A 36 -10.109 -2.529 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.772 -3.622 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.452 -0.900 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.839 -2.190 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.605 -2.101 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.477 -3.615 -6.916 1.00 0.00 H new ATOM 514 N PRO A 37 -10.175 -3.316 -3.855 1.00 0.00 N ATOM 515 CA PRO A 37 -10.732 -3.271 -2.500 1.00 0.00 C ATOM 516 C PRO A 37 -9.691 -3.595 -1.434 1.00 0.00 C ATOM 517 O PRO A 37 -8.570 -3.995 -1.749 1.00 0.00 O ATOM 518 CB PRO A 37 -11.821 -4.346 -2.527 1.00 0.00 C ATOM 519 CG PRO A 37 -11.387 -5.297 -3.587 1.00 0.00 C ATOM 520 CD PRO A 37 -10.682 -4.468 -4.625 1.00 0.00 C ATOM 0 HA PRO A 37 -11.101 -2.278 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.910 -4.843 -1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.796 -3.916 -2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.723 -6.059 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.242 -5.817 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.872 -5.022 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.361 -4.154 -5.418 1.00 0.00 H new ATOM 528 N ARG A 38 -10.069 -3.420 -0.172 1.00 0.00 N ATOM 529 CA ARG A 38 -9.167 -3.694 0.941 1.00 0.00 C ATOM 530 C ARG A 38 -9.874 -3.488 2.277 1.00 0.00 C ATOM 531 O ARG A 38 -10.921 -2.844 2.344 1.00 0.00 O ATOM 532 CB ARG A 38 -7.933 -2.793 0.860 1.00 0.00 C ATOM 533 CG ARG A 38 -8.265 -1.326 0.639 1.00 0.00 C ATOM 534 CD ARG A 38 -8.456 -0.594 1.957 1.00 0.00 C ATOM 535 NE ARG A 38 -9.867 -0.471 2.316 1.00 0.00 N ATOM 536 CZ ARG A 38 -10.751 0.239 1.618 1.00 0.00 C ATOM 537 NH1 ARG A 38 -10.374 0.890 0.525 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -12.015 0.297 2.014 1.00 0.00 N ATOM 0 H ARG A 38 -10.993 -3.090 0.106 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.852 -4.735 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.360 -2.892 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.294 -3.139 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.464 -0.852 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.172 -1.243 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.926 -1.126 2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.012 0.399 1.888 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.194 -0.958 3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.403 0.848 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.055 1.432 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.310 -0.202 2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.692 0.841 1.479 1.00 0.00 H new ATOM 552 N GLU A 39 -9.294 -4.039 3.339 1.00 0.00 N ATOM 553 CA GLU A 39 -9.868 -3.916 4.674 1.00 0.00 C ATOM 554 C GLU A 39 -9.045 -2.962 5.534 1.00 0.00 C ATOM 555 O GLU A 39 -8.132 -2.298 5.042 1.00 0.00 O ATOM 556 CB GLU A 39 -9.948 -5.288 5.346 1.00 0.00 C ATOM 557 CG GLU A 39 -11.200 -5.482 6.185 1.00 0.00 C ATOM 558 CD GLU A 39 -12.243 -6.333 5.487 1.00 0.00 C ATOM 559 OE1 GLU A 39 -11.855 -7.268 4.756 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -13.449 -6.063 5.672 1.00 0.00 O ATOM 0 H GLU A 39 -8.427 -4.575 3.301 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.874 -3.509 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.911 -6.062 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.071 -5.425 5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.930 -5.949 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.629 -4.508 6.421 1.00 0.00 H new ATOM 567 N HIS A 40 -9.375 -2.898 6.820 1.00 0.00 N ATOM 568 CA HIS A 40 -8.666 -2.025 7.748 1.00 0.00 C ATOM 569 C HIS A 40 -7.752 -2.834 8.667 1.00 0.00 C ATOM 570 O HIS A 40 -8.078 -3.960 9.043 1.00 0.00 O ATOM 571 CB HIS A 40 -9.661 -1.217 8.582 1.00 0.00 C ATOM 572 CG HIS A 40 -10.756 -0.596 7.772 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.068 0.746 7.830 1.00 0.00 N ATOM 574 CD2 HIS A 40 -11.616 -1.141 6.879 1.00 0.00 C ATOM 575 CE1 HIS A 40 -12.072 0.999 7.009 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.422 -0.129 6.420 1.00 0.00 N ATOM 0 H HIS A 40 -10.129 -3.440 7.243 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.051 -1.340 7.165 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.103 -1.868 9.336 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.123 -0.432 9.114 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.660 -2.179 6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.528 1.964 6.847 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.170 -0.232 5.735 1.00 0.00 H new ATOM 585 N PRO A 41 -6.591 -2.268 9.041 1.00 0.00 N ATOM 586 CA PRO A 41 -5.632 -2.944 9.919 1.00 0.00 C ATOM 587 C PRO A 41 -6.094 -2.971 11.372 1.00 0.00 C ATOM 588 O PRO A 41 -7.234 -2.623 11.678 1.00 0.00 O ATOM 589 CB PRO A 41 -4.369 -2.095 9.776 1.00 0.00 C ATOM 590 CG PRO A 41 -4.870 -0.731 9.451 1.00 0.00 C ATOM 591 CD PRO A 41 -6.122 -0.928 8.638 1.00 0.00 C ATOM 0 HA PRO A 41 -5.495 -3.990 9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.785 -2.094 10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.721 -2.478 8.988 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.080 -0.166 10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.126 -0.166 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.866 -0.161 8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.917 -0.880 7.569 1.00 0.00 H new ATOM 599 N ILE A 42 -5.200 -3.386 12.264 1.00 0.00 N ATOM 600 CA ILE A 42 -5.515 -3.458 13.686 1.00 0.00 C ATOM 601 C ILE A 42 -4.653 -2.486 14.489 1.00 0.00 C ATOM 602 O ILE A 42 -3.589 -2.066 14.036 1.00 0.00 O ATOM 603 CB ILE A 42 -5.315 -4.886 14.233 1.00 0.00 C ATOM 604 CG1 ILE A 42 -5.769 -4.969 15.691 1.00 0.00 C ATOM 605 CG2 ILE A 42 -3.859 -5.310 14.100 1.00 0.00 C ATOM 606 CD1 ILE A 42 -5.806 -6.382 16.232 1.00 0.00 C ATOM 0 H ILE A 42 -4.252 -3.677 12.027 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.564 -3.181 13.795 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.926 -5.570 13.644 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.098 -4.370 16.307 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.762 -4.528 15.780 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.737 -6.320 14.491 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.569 -5.290 13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.227 -4.624 14.664 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.137 -6.365 17.271 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.499 -6.980 15.640 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.809 -6.819 16.175 1.00 0.00 H new ATOM 618 N MET A 43 -5.121 -2.135 15.682 1.00 0.00 N ATOM 619 CA MET A 43 -4.393 -1.213 16.547 1.00 0.00 C ATOM 620 C MET A 43 -2.998 -1.745 16.862 1.00 0.00 C ATOM 621 O MET A 43 -2.784 -2.956 16.920 1.00 0.00 O ATOM 622 CB MET A 43 -5.168 -0.982 17.846 1.00 0.00 C ATOM 623 CG MET A 43 -5.474 -2.261 18.608 1.00 0.00 C ATOM 624 SD MET A 43 -7.090 -2.225 19.405 1.00 0.00 S ATOM 625 CE MET A 43 -7.968 -3.458 18.447 1.00 0.00 C ATOM 0 H MET A 43 -6.000 -2.474 16.072 1.00 0.00 H new ATOM 0 HA MET A 43 -4.289 -0.265 16.019 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.593 -0.315 18.488 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.104 -0.474 17.615 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.430 -3.107 17.922 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.704 -2.422 19.363 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.988 -3.551 18.821 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.992 -3.156 17.400 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.460 -4.418 18.536 1.00 0.00 H new ATOM 635 N GLY A 44 -2.054 -0.832 17.064 1.00 0.00 N ATOM 636 CA GLY A 44 -0.692 -1.229 17.370 1.00 0.00 C ATOM 637 C GLY A 44 0.301 -0.102 17.166 1.00 0.00 C ATOM 638 O GLY A 44 -0.023 0.918 16.556 1.00 0.00 O ATOM 0 H GLY A 44 -2.208 0.175 17.021 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.640 -1.572 18.403 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.413 -2.073 16.740 1.00 0.00 H new ATOM 642 N GLY A 45 1.514 -0.284 17.678 1.00 0.00 N ATOM 643 CA GLY A 45 2.539 0.734 17.538 1.00 0.00 C ATOM 644 C GLY A 45 3.397 0.528 16.305 1.00 0.00 C ATOM 645 O GLY A 45 2.963 -0.095 15.336 1.00 0.00 O ATOM 0 H GLY A 45 1.805 -1.118 18.187 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.067 1.715 17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.174 0.730 18.424 1.00 0.00 H new ATOM 649 N ILE A 46 4.618 1.052 16.341 1.00 0.00 N ATOM 650 CA ILE A 46 5.538 0.922 15.218 1.00 0.00 C ATOM 651 C ILE A 46 6.470 -0.271 15.407 1.00 0.00 C ATOM 652 O ILE A 46 7.644 -0.108 15.743 1.00 0.00 O ATOM 653 CB ILE A 46 6.386 2.197 15.030 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.512 3.447 15.155 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.089 2.170 13.681 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.399 3.511 14.133 1.00 0.00 C ATOM 0 H ILE A 46 4.993 1.570 17.136 1.00 0.00 H new ATOM 0 HA ILE A 46 4.928 0.768 14.328 1.00 0.00 H new ATOM 0 HB ILE A 46 7.142 2.228 15.814 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.079 3.479 16.155 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.140 4.332 15.052 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.684 3.076 13.562 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.741 1.298 13.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.347 2.116 12.885 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.821 4.423 14.281 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.826 3.511 13.130 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.747 2.645 14.250 1.00 0.00 H new ATOM 668 N TYR A 47 5.940 -1.470 15.190 1.00 0.00 N ATOM 669 CA TYR A 47 6.725 -2.690 15.337 1.00 0.00 C ATOM 670 C TYR A 47 5.900 -3.918 14.967 1.00 0.00 C ATOM 671 O TYR A 47 6.400 -4.847 14.332 1.00 0.00 O ATOM 672 CB TYR A 47 7.240 -2.821 16.772 1.00 0.00 C ATOM 673 CG TYR A 47 8.502 -3.646 16.890 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.465 -5.029 16.763 1.00 0.00 C ATOM 675 CD2 TYR A 47 9.729 -3.041 17.130 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.616 -5.786 16.871 1.00 0.00 C ATOM 677 CE2 TYR A 47 10.885 -3.791 17.239 1.00 0.00 C ATOM 678 CZ TYR A 47 10.823 -5.163 17.109 1.00 0.00 C ATOM 679 OH TYR A 47 11.971 -5.913 17.217 1.00 0.00 O ATOM 0 H TYR A 47 4.971 -1.623 14.912 1.00 0.00 H new ATOM 0 HA TYR A 47 7.575 -2.628 14.657 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.428 -1.825 17.174 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.462 -3.272 17.388 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.521 -5.520 16.577 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.781 -1.967 17.233 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.571 -6.860 16.770 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.832 -3.306 17.425 1.00 0.00 H new ATOM 0 HH TYR A 47 12.734 -5.321 17.384 1.00 0.00 H new ATOM 689 N ASP A 48 4.633 -3.917 15.370 1.00 0.00 N ATOM 690 CA ASP A 48 3.737 -5.031 15.081 1.00 0.00 C ATOM 691 C ASP A 48 3.612 -5.255 13.578 1.00 0.00 C ATOM 692 O ASP A 48 3.313 -4.328 12.825 1.00 0.00 O ATOM 693 CB ASP A 48 2.357 -4.773 15.687 1.00 0.00 C ATOM 694 CG ASP A 48 2.264 -5.230 17.130 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.511 -6.426 17.392 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 1.944 -4.391 17.999 1.00 0.00 O ATOM 0 H ASP A 48 4.204 -3.157 15.898 1.00 0.00 H new ATOM 0 HA ASP A 48 4.161 -5.930 15.529 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.132 -3.708 15.631 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.601 -5.290 15.096 1.00 0.00 H new ATOM 701 N ALA A 49 3.841 -6.491 13.147 1.00 0.00 N ATOM 702 CA ALA A 49 3.753 -6.836 11.733 1.00 0.00 C ATOM 703 C ALA A 49 3.155 -8.229 11.541 1.00 0.00 C ATOM 704 O ALA A 49 3.735 -9.074 10.859 1.00 0.00 O ATOM 705 CB ALA A 49 5.128 -6.755 11.087 1.00 0.00 C ATOM 0 H ALA A 49 4.089 -7.270 13.757 1.00 0.00 H new ATOM 0 HA ALA A 49 3.091 -6.118 11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.050 -7.015 10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.516 -5.741 11.184 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.805 -7.451 11.583 1.00 0.00 H new ATOM 711 N PRO A 50 1.981 -8.489 12.144 1.00 0.00 N ATOM 712 CA PRO A 50 1.310 -9.786 12.036 1.00 0.00 C ATOM 713 C PRO A 50 0.599 -9.963 10.699 1.00 0.00 C ATOM 714 O PRO A 50 0.517 -11.071 10.169 1.00 0.00 O ATOM 715 CB PRO A 50 0.297 -9.744 13.178 1.00 0.00 C ATOM 716 CG PRO A 50 -0.036 -8.300 13.328 1.00 0.00 C ATOM 717 CD PRO A 50 1.218 -7.540 12.979 1.00 0.00 C ATOM 0 HA PRO A 50 2.011 -10.619 12.094 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.589 -10.334 12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.718 -10.152 14.097 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.857 -8.020 12.668 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.355 -8.078 14.346 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.992 -6.622 12.437 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.775 -7.255 13.872 1.00 0.00 H new ATOM 725 N LEU A 51 0.084 -8.863 10.163 1.00 0.00 N ATOM 726 CA LEU A 51 -0.624 -8.890 8.887 1.00 0.00 C ATOM 727 C LEU A 51 -1.794 -9.869 8.934 1.00 0.00 C ATOM 728 O LEU A 51 -1.714 -10.975 8.399 1.00 0.00 O ATOM 729 CB LEU A 51 0.331 -9.272 7.754 1.00 0.00 C ATOM 730 CG LEU A 51 -0.029 -8.698 6.383 1.00 0.00 C ATOM 731 CD1 LEU A 51 1.056 -9.018 5.366 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.373 -9.236 5.917 1.00 0.00 C ATOM 0 H LEU A 51 0.143 -7.940 10.592 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.016 -7.891 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.335 -8.940 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.365 -10.359 7.679 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.104 -7.614 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.781 -8.601 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.001 -8.584 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.165 -10.099 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.614 -8.817 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.325 -10.322 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.146 -8.954 6.633 1.00 0.00 H new ATOM 744 N ASN A 52 -2.880 -9.454 9.580 1.00 0.00 N ATOM 745 CA ASN A 52 -4.067 -10.294 9.699 1.00 0.00 C ATOM 746 C ASN A 52 -4.610 -10.669 8.324 1.00 0.00 C ATOM 747 O ASN A 52 -4.760 -11.849 8.006 1.00 0.00 O ATOM 748 CB ASN A 52 -5.147 -9.573 10.507 1.00 0.00 C ATOM 749 CG ASN A 52 -6.310 -10.482 10.857 1.00 0.00 C ATOM 750 OD1 ASN A 52 -7.315 -10.523 10.148 1.00 0.00 O ATOM 751 ND2 ASN A 52 -6.178 -11.216 11.955 1.00 0.00 N ATOM 0 H ASN A 52 -2.962 -8.542 10.029 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.783 -11.209 10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.709 -9.179 11.424 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.515 -8.720 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.928 -11.846 12.241 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.327 -11.150 12.513 1.00 0.00 H new ATOM 758 N ASN A 53 -4.903 -9.658 7.513 1.00 0.00 N ATOM 759 CA ASN A 53 -5.430 -9.882 6.172 1.00 0.00 C ATOM 760 C ASN A 53 -4.361 -10.474 5.258 1.00 0.00 C ATOM 761 O ASN A 53 -3.907 -9.826 4.314 1.00 0.00 O ATOM 762 CB ASN A 53 -5.955 -8.572 5.585 1.00 0.00 C ATOM 763 CG ASN A 53 -7.412 -8.327 5.926 1.00 0.00 C ATOM 764 OD1 ASN A 53 -7.773 -7.264 6.431 1.00 0.00 O ATOM 765 ND2 ASN A 53 -8.258 -9.313 5.652 1.00 0.00 N ATOM 0 H ASN A 53 -4.784 -8.676 7.761 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.252 -10.594 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.353 -7.743 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.836 -8.590 4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.251 -9.206 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.915 -10.178 5.233 1.00 0.00 H new ATOM 772 N GLU A 54 -3.964 -11.709 5.545 1.00 0.00 N ATOM 773 CA GLU A 54 -2.948 -12.390 4.749 1.00 0.00 C ATOM 774 C GLU A 54 -3.571 -13.461 3.856 1.00 0.00 C ATOM 775 O GLU A 54 -2.874 -14.343 3.354 1.00 0.00 O ATOM 776 CB GLU A 54 -1.895 -13.021 5.662 1.00 0.00 C ATOM 777 CG GLU A 54 -2.446 -14.119 6.557 1.00 0.00 C ATOM 778 CD GLU A 54 -1.361 -15.027 7.101 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.512 -15.481 6.305 1.00 0.00 O1- ATOM 780 OE2 GLU A 54 -1.360 -15.285 8.323 1.00 0.00 O ATOM 0 H GLU A 54 -4.330 -12.259 6.322 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.471 -11.648 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.093 -13.432 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.453 -12.243 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.987 -13.667 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.165 -14.715 5.994 1.00 0.00 H new ATOM 787 N ASN A 55 -4.885 -13.382 3.660 1.00 0.00 N ATOM 788 CA ASN A 55 -5.592 -14.348 2.827 1.00 0.00 C ATOM 789 C ASN A 55 -5.033 -14.356 1.408 1.00 0.00 C ATOM 790 O ASN A 55 -5.042 -15.385 0.732 1.00 0.00 O ATOM 791 CB ASN A 55 -7.088 -14.027 2.796 1.00 0.00 C ATOM 792 CG ASN A 55 -7.364 -12.598 2.373 1.00 0.00 C ATOM 793 OD1 ASN A 55 -6.806 -11.654 2.933 1.00 0.00 O ATOM 794 ND2 ASN A 55 -8.229 -12.431 1.380 1.00 0.00 N ATOM 0 H ASN A 55 -5.480 -12.660 4.066 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.448 -15.338 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.589 -14.709 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.514 -14.199 3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.454 -11.492 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.668 -13.242 0.944 1.00 0.00 H new ATOM 801 N GLY A 56 -4.545 -13.203 0.963 1.00 0.00 N ATOM 802 CA GLY A 56 -3.988 -13.099 -0.373 1.00 0.00 C ATOM 803 C GLY A 56 -4.663 -12.023 -1.201 1.00 0.00 C ATOM 804 O GLY A 56 -3.995 -11.180 -1.802 1.00 0.00 O ATOM 0 H GLY A 56 -4.525 -12.338 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.922 -12.884 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.087 -14.059 -0.880 1.00 0.00 H new ATOM 808 N PHE A 57 -5.991 -12.050 -1.233 1.00 0.00 N ATOM 809 CA PHE A 57 -6.757 -11.069 -1.993 1.00 0.00 C ATOM 810 C PHE A 57 -6.566 -9.670 -1.419 1.00 0.00 C ATOM 811 O PHE A 57 -6.496 -8.688 -2.158 1.00 0.00 O ATOM 812 CB PHE A 57 -8.242 -11.437 -1.990 1.00 0.00 C ATOM 813 CG PHE A 57 -8.543 -12.727 -2.698 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.379 -13.942 -2.052 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.991 -12.724 -4.009 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.655 -15.130 -2.701 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.269 -13.909 -4.664 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.101 -15.114 -4.009 1.00 0.00 C ATOM 0 H PHE A 57 -6.559 -12.740 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.392 -11.074 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.588 -11.509 -0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.808 -10.633 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.031 -13.960 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.125 -11.785 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.522 -16.070 -2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.617 -13.893 -5.686 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.318 -16.041 -4.518 1.00 0.00 H new ATOM 828 N ASP A 58 -6.484 -9.586 -0.095 1.00 0.00 N ATOM 829 CA ASP A 58 -6.301 -8.307 0.581 1.00 0.00 C ATOM 830 C ASP A 58 -4.902 -7.754 0.330 1.00 0.00 C ATOM 831 O ASP A 58 -4.742 -6.598 -0.062 1.00 0.00 O ATOM 832 CB ASP A 58 -6.540 -8.461 2.083 1.00 0.00 C ATOM 833 CG ASP A 58 -6.875 -7.143 2.754 1.00 0.00 C ATOM 834 OD1 ASP A 58 -5.934 -6.413 3.131 1.00 0.00 O ATOM 835 OD2 ASP A 58 -8.078 -6.841 2.902 1.00 0.00 O1- ATOM 0 H ASP A 58 -6.541 -10.389 0.531 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.028 -7.603 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.354 -9.167 2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.651 -8.886 2.548 1.00 0.00 H new ATOM 840 N LYS A 59 -3.891 -8.587 0.560 1.00 0.00 N ATOM 841 CA LYS A 59 -2.506 -8.179 0.359 1.00 0.00 C ATOM 842 C LYS A 59 -2.263 -7.776 -1.093 1.00 0.00 C ATOM 843 O LYS A 59 -1.533 -6.825 -1.370 1.00 0.00 O ATOM 844 CB LYS A 59 -1.554 -9.311 0.759 1.00 0.00 C ATOM 845 CG LYS A 59 -1.544 -10.480 -0.214 1.00 0.00 C ATOM 846 CD LYS A 59 -0.448 -11.477 0.123 1.00 0.00 C ATOM 847 CE LYS A 59 0.802 -11.231 -0.708 1.00 0.00 C ATOM 848 NZ LYS A 59 1.950 -12.056 -0.241 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.006 -9.547 0.885 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.312 -7.314 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.543 -8.911 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.834 -9.676 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.512 -10.981 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.400 -10.109 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.202 -11.405 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.810 -12.490 -0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.593 -11.458 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.069 -10.175 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.820 -11.741 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.059 -11.949 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.774 -13.056 -0.468 1.00 0.00 H new ATOM 862 N GLU A 60 -2.881 -8.507 -2.015 1.00 0.00 N ATOM 863 CA GLU A 60 -2.732 -8.228 -3.438 1.00 0.00 C ATOM 864 C GLU A 60 -3.389 -6.902 -3.804 1.00 0.00 C ATOM 865 O GLU A 60 -2.745 -6.011 -4.359 1.00 0.00 O ATOM 866 CB GLU A 60 -3.342 -9.360 -4.267 1.00 0.00 C ATOM 867 CG GLU A 60 -2.478 -10.609 -4.318 1.00 0.00 C ATOM 868 CD GLU A 60 -1.736 -10.752 -5.633 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.258 -10.278 -6.664 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -0.634 -11.339 -5.632 1.00 0.00 O ATOM 0 H GLU A 60 -3.490 -9.297 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.667 -8.158 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.316 -9.619 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.512 -9.004 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.758 -10.582 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.105 -11.487 -4.162 1.00 0.00 H new ATOM 877 N ASP A 61 -4.675 -6.777 -3.491 1.00 0.00 N ATOM 878 CA ASP A 61 -5.419 -5.558 -3.788 1.00 0.00 C ATOM 879 C ASP A 61 -4.777 -4.351 -3.112 1.00 0.00 C ATOM 880 O ASP A 61 -4.660 -3.281 -3.709 1.00 0.00 O ATOM 881 CB ASP A 61 -6.873 -5.699 -3.332 1.00 0.00 C ATOM 882 CG ASP A 61 -7.564 -6.890 -3.967 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.858 -7.796 -4.456 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.813 -6.916 -3.974 1.00 0.00 O ATOM 0 H ASP A 61 -5.223 -7.505 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.397 -5.402 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.903 -5.801 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.419 -4.789 -3.582 1.00 0.00 H new ATOM 889 N LEU A 62 -4.361 -4.532 -1.863 1.00 0.00 N ATOM 890 CA LEU A 62 -3.730 -3.459 -1.103 1.00 0.00 C ATOM 891 C LEU A 62 -2.437 -3.004 -1.774 1.00 0.00 C ATOM 892 O LEU A 62 -2.253 -1.818 -2.048 1.00 0.00 O ATOM 893 CB LEU A 62 -3.445 -3.922 0.328 1.00 0.00 C ATOM 894 CG LEU A 62 -2.645 -2.942 1.193 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.129 -1.513 0.986 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.747 -3.330 2.659 1.00 0.00 C ATOM 0 H LEU A 62 -4.450 -5.412 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.417 -2.613 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.396 -4.123 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.903 -4.867 0.284 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.600 -2.992 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.545 -0.837 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.007 -1.236 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.182 -1.442 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.174 -2.626 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.792 -3.308 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.348 -4.335 2.798 1.00 0.00 H new ATOM 908 N ALA A 63 -1.545 -3.954 -2.039 1.00 0.00 N ATOM 909 CA ALA A 63 -0.270 -3.648 -2.679 1.00 0.00 C ATOM 910 C ALA A 63 -0.480 -2.926 -4.007 1.00 0.00 C ATOM 911 O ALA A 63 0.065 -1.844 -4.229 1.00 0.00 O ATOM 912 CB ALA A 63 0.533 -4.923 -2.891 1.00 0.00 C ATOM 0 H ALA A 63 -1.681 -4.941 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 63 0.289 -2.984 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.482 -4.680 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.723 -5.398 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.030 -5.606 -3.527 1.00 0.00 H new ATOM 918 N ARG A 64 -1.276 -3.529 -4.884 1.00 0.00 N ATOM 919 CA ARG A 64 -1.560 -2.942 -6.188 1.00 0.00 C ATOM 920 C ARG A 64 -2.258 -1.595 -6.035 1.00 0.00 C ATOM 921 O ARG A 64 -2.008 -0.664 -6.801 1.00 0.00 O ATOM 922 CB ARG A 64 -2.429 -3.888 -7.018 1.00 0.00 C ATOM 923 CG ARG A 64 -2.244 -3.725 -8.518 1.00 0.00 C ATOM 924 CD ARG A 64 -2.529 -2.299 -8.962 1.00 0.00 C ATOM 925 NE ARG A 64 -2.850 -2.222 -10.385 1.00 0.00 N ATOM 926 CZ ARG A 64 -1.937 -2.254 -11.354 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.648 -2.361 -11.057 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -2.315 -2.179 -12.623 1.00 0.00 N ATOM 0 H ARG A 64 -1.736 -4.424 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.612 -2.785 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.198 -4.917 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.477 -3.718 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.224 -3.996 -8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.908 -4.411 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.359 -1.898 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.661 -1.674 -8.752 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.831 -2.139 -10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.352 -2.419 -10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.047 -2.385 -11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.305 -2.097 -12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.616 -2.203 -13.366 1.00 0.00 H new ATOM 942 N PHE A 65 -3.133 -1.498 -5.039 1.00 0.00 N ATOM 943 CA PHE A 65 -3.867 -0.264 -4.782 1.00 0.00 C ATOM 944 C PHE A 65 -2.909 0.892 -4.516 1.00 0.00 C ATOM 945 O PHE A 65 -2.921 1.896 -5.228 1.00 0.00 O ATOM 946 CB PHE A 65 -4.811 -0.447 -3.591 1.00 0.00 C ATOM 947 CG PHE A 65 -5.585 0.791 -3.238 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.470 1.353 -4.145 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.427 1.393 -2.000 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.183 2.492 -3.823 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.137 2.532 -1.673 1.00 0.00 C ATOM 952 CZ PHE A 65 -7.016 3.083 -2.585 1.00 0.00 C ATOM 0 H PHE A 65 -3.351 -2.260 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.455 -0.027 -5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.512 -1.251 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.231 -0.762 -2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.604 0.895 -5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.741 0.967 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.870 2.920 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.005 2.992 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.572 3.974 -2.331 1.00 0.00 H new ATOM 962 N ALA A 66 -2.078 0.744 -3.489 1.00 0.00 N ATOM 963 CA ALA A 66 -1.112 1.777 -3.131 1.00 0.00 C ATOM 964 C ALA A 66 -0.173 2.076 -4.294 1.00 0.00 C ATOM 965 O ALA A 66 -0.025 3.228 -4.709 1.00 0.00 O ATOM 966 CB ALA A 66 -0.318 1.353 -1.904 1.00 0.00 C ATOM 0 H ALA A 66 -2.054 -0.081 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.661 2.689 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.399 2.133 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.998 1.196 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.214 0.426 -2.118 1.00 0.00 H new ATOM 972 N VAL A 67 0.458 1.031 -4.822 1.00 0.00 N ATOM 973 CA VAL A 67 1.382 1.182 -5.941 1.00 0.00 C ATOM 974 C VAL A 67 0.736 1.970 -7.077 1.00 0.00 C ATOM 975 O VAL A 67 1.305 2.941 -7.574 1.00 0.00 O ATOM 976 CB VAL A 67 1.847 -0.187 -6.476 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.860 -0.010 -7.598 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.431 -1.030 -5.351 1.00 0.00 C ATOM 0 H VAL A 67 0.346 0.072 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 67 2.249 1.728 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 67 0.980 -0.709 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.175 -0.988 -7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.405 0.551 -8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.727 0.534 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.754 -1.993 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.285 -0.513 -4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.673 -1.189 -4.584 1.00 0.00 H new ATOM 988 N ARG A 68 -0.457 1.547 -7.476 1.00 0.00 N ATOM 989 CA ARG A 68 -1.186 2.215 -8.546 1.00 0.00 C ATOM 990 C ARG A 68 -1.621 3.612 -8.112 1.00 0.00 C ATOM 991 O ARG A 68 -1.755 4.514 -8.938 1.00 0.00 O ATOM 992 CB ARG A 68 -2.405 1.383 -8.953 1.00 0.00 C ATOM 993 CG ARG A 68 -3.292 2.061 -9.987 1.00 0.00 C ATOM 994 CD ARG A 68 -4.250 1.073 -10.636 1.00 0.00 C ATOM 995 NE ARG A 68 -5.647 1.415 -10.376 1.00 0.00 N ATOM 996 CZ ARG A 68 -6.287 1.115 -9.248 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.661 0.468 -8.272 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -7.558 1.462 -9.095 1.00 0.00 N ATOM 0 H ARG A 68 -0.940 0.744 -7.074 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.523 2.314 -9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.065 0.427 -9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.998 1.166 -8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.860 2.861 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.670 2.523 -10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.076 1.052 -11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.046 0.070 -10.261 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.162 1.913 -11.102 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.684 0.198 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.157 0.241 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.045 1.958 -9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.049 1.232 -8.231 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.837 3.783 -6.811 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.255 5.070 -6.268 1.00 0.00 C ATOM 1014 C GLU A 69 -1.169 6.120 -6.473 1.00 0.00 C ATOM 1015 O GLU A 69 -1.455 7.266 -6.821 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.583 4.936 -4.778 1.00 0.00 C ATOM 1017 CG GLU A 69 -4.019 5.298 -4.437 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.195 6.776 -4.151 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -3.187 7.446 -3.841 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -5.341 7.265 -4.236 1.00 0.00 O1- ATOM 0 H GLU A 69 -1.729 3.046 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.151 5.391 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.391 3.910 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.910 5.576 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.668 5.012 -5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.338 4.723 -3.568 1.00 0.00 H new ATOM 1027 N TYR A 70 0.079 5.722 -6.252 1.00 0.00 N ATOM 1028 CA TYR A 70 1.208 6.631 -6.412 1.00 0.00 C ATOM 1029 C TYR A 70 1.759 6.581 -7.838 1.00 0.00 C ATOM 1030 O TYR A 70 2.454 7.497 -8.278 1.00 0.00 O ATOM 1031 CB TYR A 70 2.308 6.289 -5.397 1.00 0.00 C ATOM 1032 CG TYR A 70 3.364 5.335 -5.917 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.423 5.796 -6.689 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.298 3.977 -5.637 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.387 4.929 -7.167 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.259 3.104 -6.110 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.301 3.584 -6.875 1.00 0.00 C ATOM 1038 OH TYR A 70 6.259 2.718 -7.349 1.00 0.00 O ATOM 0 H TYR A 70 0.334 4.778 -5.962 1.00 0.00 H new ATOM 0 HA TYR A 70 0.858 7.646 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.794 7.212 -5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.846 5.853 -4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.494 6.849 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.482 3.597 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.204 5.303 -7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.194 2.050 -5.882 1.00 0.00 H new ATOM 0 HH TYR A 70 6.531 2.107 -6.633 1.00 0.00 H new ATOM 1048 N ASN A 71 1.455 5.501 -8.551 1.00 0.00 N ATOM 1049 CA ASN A 71 1.930 5.329 -9.920 1.00 0.00 C ATOM 1050 C ASN A 71 1.012 6.019 -10.927 1.00 0.00 C ATOM 1051 O ASN A 71 1.436 6.356 -12.032 1.00 0.00 O ATOM 1052 CB ASN A 71 2.044 3.842 -10.256 1.00 0.00 C ATOM 1053 CG ASN A 71 3.354 3.243 -9.782 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.386 2.466 -8.828 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.444 3.604 -10.448 1.00 0.00 N ATOM 0 H ASN A 71 0.882 4.732 -8.204 1.00 0.00 H new ATOM 0 HA ASN A 71 2.913 5.794 -9.988 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.214 3.304 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.955 3.708 -11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.355 3.234 -10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.371 4.251 -11.233 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.247 6.221 -10.549 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.211 6.864 -11.437 1.00 0.00 C ATOM 1064 C ASN A 72 -1.104 8.386 -11.367 1.00 0.00 C ATOM 1065 O ASN A 72 -1.286 9.076 -12.369 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.637 6.413 -11.092 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.258 7.217 -9.963 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.885 8.251 -10.193 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -3.085 6.745 -8.735 1.00 0.00 N ATOM 0 H ASN A 72 -0.622 5.951 -9.640 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.980 6.559 -12.458 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.264 6.499 -11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.621 5.359 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.479 7.243 -7.937 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.558 5.884 -8.589 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.816 8.904 -10.176 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.697 10.347 -9.978 1.00 0.00 C ATOM 1078 C LYS A 73 0.239 10.977 -11.005 1.00 0.00 C ATOM 1079 O LYS A 73 -0.073 12.018 -11.583 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.203 10.665 -8.565 1.00 0.00 C ATOM 1081 CG LYS A 73 0.847 9.699 -8.047 1.00 0.00 C ATOM 1082 CD LYS A 73 1.610 10.287 -6.872 1.00 0.00 C ATOM 1083 CE LYS A 73 3.001 9.687 -6.751 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.846 10.433 -5.779 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.661 8.348 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.691 10.773 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.209 11.674 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.054 10.660 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.369 8.768 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.544 9.452 -8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.689 11.367 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.055 10.109 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.921 8.646 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.484 9.690 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.786 9.992 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.944 11.420 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.399 10.409 -4.840 1.00 0.00 H new ATOM 1098 N ASN A 74 1.389 10.349 -11.222 1.00 0.00 N ATOM 1099 CA ASN A 74 2.364 10.862 -12.169 1.00 0.00 C ATOM 1100 C ASN A 74 3.566 9.928 -12.300 1.00 0.00 C ATOM 1101 O ASN A 74 4.167 9.825 -13.369 1.00 0.00 O ATOM 1102 CB ASN A 74 2.822 12.251 -11.732 1.00 0.00 C ATOM 1103 CG ASN A 74 3.035 12.354 -10.232 1.00 0.00 C ATOM 1104 OD1 ASN A 74 2.255 12.995 -9.527 1.00 0.00 O ATOM 1105 ND2 ASN A 74 4.092 11.723 -9.736 1.00 0.00 N ATOM 0 H ASN A 74 1.666 9.486 -10.755 1.00 0.00 H new ATOM 0 HA ASN A 74 1.887 10.925 -13.147 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.751 12.500 -12.245 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.080 12.987 -12.041 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.283 11.758 -8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.713 11.203 -10.356 1.00 0.00 H new ATOM 1112 N ASN A 75 3.916 9.251 -11.208 1.00 0.00 N ATOM 1113 CA ASN A 75 5.051 8.329 -11.207 1.00 0.00 C ATOM 1114 C ASN A 75 4.985 7.369 -12.393 1.00 0.00 C ATOM 1115 O ASN A 75 4.004 7.350 -13.137 1.00 0.00 O ATOM 1116 CB ASN A 75 5.091 7.540 -9.897 1.00 0.00 C ATOM 1117 CG ASN A 75 6.486 7.469 -9.308 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.920 8.377 -8.599 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.197 6.386 -9.600 1.00 0.00 N ATOM 0 H ASN A 75 3.431 9.323 -10.314 1.00 0.00 H new ATOM 0 HA ASN A 75 5.963 8.920 -11.298 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.418 8.004 -9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.722 6.530 -10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.143 6.282 -9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.797 5.658 -10.192 1.00 0.00 H new ATOM 1126 N ALA A 76 6.038 6.575 -12.563 1.00 0.00 N ATOM 1127 CA ALA A 76 6.103 5.614 -13.658 1.00 0.00 C ATOM 1128 C ALA A 76 4.940 4.629 -13.599 1.00 0.00 C ATOM 1129 O ALA A 76 4.042 4.763 -12.768 1.00 0.00 O ATOM 1130 CB ALA A 76 7.429 4.869 -13.626 1.00 0.00 C ATOM 0 H ALA A 76 6.858 6.578 -11.956 1.00 0.00 H new ATOM 0 HA ALA A 76 6.028 6.165 -14.595 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.465 4.155 -14.448 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.249 5.580 -13.727 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.525 4.337 -12.679 1.00 0.00 H new ATOM 1136 N LEU A 77 4.964 3.641 -14.488 1.00 0.00 N ATOM 1137 CA LEU A 77 3.912 2.632 -14.539 1.00 0.00 C ATOM 1138 C LEU A 77 4.490 1.232 -14.351 1.00 0.00 C ATOM 1139 O LEU A 77 4.705 0.503 -15.319 1.00 0.00 O ATOM 1140 CB LEU A 77 3.161 2.717 -15.871 1.00 0.00 C ATOM 1141 CG LEU A 77 1.757 3.317 -15.785 1.00 0.00 C ATOM 1142 CD1 LEU A 77 0.823 2.382 -15.032 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.801 4.682 -15.117 1.00 0.00 C ATOM 0 H LEU A 77 5.700 3.518 -15.183 1.00 0.00 H new ATOM 0 HA LEU A 77 3.214 2.827 -13.725 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.752 3.313 -16.567 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.086 1.715 -16.293 1.00 0.00 H new ATOM 0 HG LEU A 77 1.373 3.443 -16.797 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.172 2.825 -14.980 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.768 1.426 -15.553 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.203 2.224 -14.022 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.793 5.094 -15.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.205 4.581 -14.110 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.436 5.351 -15.697 1.00 0.00 H new ATOM 1155 N LEU A 78 4.738 0.864 -13.099 1.00 0.00 N ATOM 1156 CA LEU A 78 5.289 -0.449 -12.782 1.00 0.00 C ATOM 1157 C LEU A 78 4.202 -1.375 -12.245 1.00 0.00 C ATOM 1158 O LEU A 78 3.031 -1.001 -12.185 1.00 0.00 O ATOM 1159 CB LEU A 78 6.421 -0.319 -11.759 1.00 0.00 C ATOM 1160 CG LEU A 78 6.201 0.741 -10.678 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.903 0.478 -9.930 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.378 0.772 -9.716 1.00 0.00 C ATOM 0 H LEU A 78 4.566 1.456 -12.287 1.00 0.00 H new ATOM 0 HA LEU A 78 5.690 -0.881 -13.699 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.565 -1.285 -11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.345 -0.088 -12.290 1.00 0.00 H new ATOM 0 HG LEU A 78 6.127 1.716 -11.160 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.763 1.242 -9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.068 0.507 -10.629 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.947 -0.504 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.205 1.532 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.484 -0.203 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.290 1.009 -10.264 1.00 0.00 H new ATOM 1174 N GLU A 79 4.593 -2.586 -11.858 1.00 0.00 N ATOM 1175 CA GLU A 79 3.643 -3.559 -11.331 1.00 0.00 C ATOM 1176 C GLU A 79 4.229 -4.310 -10.140 1.00 0.00 C ATOM 1177 O GLU A 79 5.409 -4.661 -10.132 1.00 0.00 O ATOM 1178 CB GLU A 79 3.239 -4.551 -12.424 1.00 0.00 C ATOM 1179 CG GLU A 79 2.534 -3.902 -13.603 1.00 0.00 C ATOM 1180 CD GLU A 79 3.443 -3.729 -14.804 1.00 0.00 C ATOM 1181 OE1 GLU A 79 4.489 -3.061 -14.665 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 3.110 -4.263 -15.883 1.00 0.00 O ATOM 0 H GLU A 79 5.557 -2.915 -11.899 1.00 0.00 H new ATOM 0 HA GLU A 79 2.760 -3.017 -10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.130 -5.066 -12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.585 -5.308 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.675 -4.510 -13.887 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.149 -2.928 -13.300 1.00 0.00 H new ATOM 1189 N PHE A 80 3.394 -4.556 -9.135 1.00 0.00 N ATOM 1190 CA PHE A 80 3.823 -5.269 -7.938 1.00 0.00 C ATOM 1191 C PHE A 80 3.724 -6.779 -8.145 1.00 0.00 C ATOM 1192 O PHE A 80 2.868 -7.258 -8.889 1.00 0.00 O ATOM 1193 CB PHE A 80 2.983 -4.830 -6.729 1.00 0.00 C ATOM 1194 CG PHE A 80 1.866 -5.775 -6.378 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.673 -5.752 -7.081 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.016 -6.690 -5.349 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.351 -6.624 -6.764 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.997 -7.564 -5.026 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.189 -7.532 -5.735 1.00 0.00 C ATOM 0 H PHE A 80 2.415 -4.271 -9.127 1.00 0.00 H new ATOM 0 HA PHE A 80 4.867 -5.023 -7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.639 -4.723 -5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.561 -3.846 -6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.541 -5.044 -7.886 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.941 -6.720 -4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.277 -6.596 -7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.127 -8.272 -4.220 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.987 -8.215 -5.485 1.00 0.00 H new ATOM 1209 N VAL A 81 4.602 -7.523 -7.481 1.00 0.00 N ATOM 1210 CA VAL A 81 4.606 -8.975 -7.594 1.00 0.00 C ATOM 1211 C VAL A 81 4.001 -9.622 -6.353 1.00 0.00 C ATOM 1212 O VAL A 81 3.287 -10.620 -6.448 1.00 0.00 O ATOM 1213 CB VAL A 81 6.031 -9.522 -7.803 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.597 -9.044 -9.131 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.936 -9.113 -6.651 1.00 0.00 C ATOM 0 H VAL A 81 5.318 -7.145 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 81 4.001 -9.226 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 81 5.982 -10.611 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.604 -9.440 -9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.961 -9.394 -9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.632 -7.955 -9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.938 -9.509 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.981 -8.026 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.539 -9.511 -5.717 1.00 0.00 H new ATOM 1225 N ARG A 82 4.288 -9.041 -5.191 1.00 0.00 N ATOM 1226 CA ARG A 82 3.774 -9.554 -3.924 1.00 0.00 C ATOM 1227 C ARG A 82 4.295 -8.727 -2.753 1.00 0.00 C ATOM 1228 O ARG A 82 5.244 -7.957 -2.899 1.00 0.00 O ATOM 1229 CB ARG A 82 4.162 -11.021 -3.736 1.00 0.00 C ATOM 1230 CG ARG A 82 5.638 -11.217 -3.460 1.00 0.00 C ATOM 1231 CD ARG A 82 5.963 -12.668 -3.151 1.00 0.00 C ATOM 1232 NE ARG A 82 5.465 -13.073 -1.838 1.00 0.00 N ATOM 1233 CZ ARG A 82 6.041 -12.728 -0.688 1.00 0.00 C ATOM 1234 NH1 ARG A 82 7.133 -11.974 -0.685 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 5.524 -13.139 0.461 1.00 0.00 N ATOM 0 H ARG A 82 4.876 -8.212 -5.101 1.00 0.00 H new ATOM 0 HA ARG A 82 2.687 -9.478 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.586 -11.440 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.889 -11.580 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.216 -10.890 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.938 -10.590 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.527 -13.308 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.042 -12.814 -3.190 1.00 0.00 H new ATOM 0 HE ARG A 82 4.627 -13.654 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.535 -11.656 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.570 -11.713 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.685 -13.719 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.965 -12.875 1.342 1.00 0.00 H new ATOM 1249 N VAL A 83 3.672 -8.895 -1.591 1.00 0.00 N ATOM 1250 CA VAL A 83 4.077 -8.165 -0.399 1.00 0.00 C ATOM 1251 C VAL A 83 5.126 -8.941 0.394 1.00 0.00 C ATOM 1252 O VAL A 83 5.081 -10.169 0.467 1.00 0.00 O ATOM 1253 CB VAL A 83 2.868 -7.858 0.512 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.717 -7.285 -0.301 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.426 -9.103 1.270 1.00 0.00 C ATOM 0 H VAL A 83 2.886 -9.530 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 83 4.511 -7.224 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 83 3.176 -7.111 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.875 -7.075 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.037 -6.362 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.413 -8.006 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.573 -8.859 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.140 -9.879 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.248 -9.463 1.889 1.00 0.00 H new ATOM 1265 N VAL A 84 6.070 -8.215 0.983 1.00 0.00 N ATOM 1266 CA VAL A 84 7.131 -8.832 1.768 1.00 0.00 C ATOM 1267 C VAL A 84 7.084 -8.381 3.229 1.00 0.00 C ATOM 1268 O VAL A 84 7.677 -9.019 4.099 1.00 0.00 O ATOM 1269 CB VAL A 84 8.519 -8.505 1.183 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.746 -7.001 1.154 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.616 -9.206 1.972 1.00 0.00 C ATOM 0 H VAL A 84 6.121 -7.198 0.931 1.00 0.00 H new ATOM 0 HA VAL A 84 6.967 -9.909 1.726 1.00 0.00 H new ATOM 0 HB VAL A 84 8.555 -8.874 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.731 -6.790 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.982 -6.530 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.688 -6.605 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.587 -8.961 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.585 -8.875 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.462 -10.284 1.930 1.00 0.00 H new ATOM 1281 N LYS A 85 6.382 -7.282 3.495 1.00 0.00 N ATOM 1282 CA LYS A 85 6.273 -6.761 4.855 1.00 0.00 C ATOM 1283 C LYS A 85 4.911 -6.117 5.091 1.00 0.00 C ATOM 1284 O LYS A 85 4.245 -5.683 4.151 1.00 0.00 O ATOM 1285 CB LYS A 85 7.381 -5.741 5.128 1.00 0.00 C ATOM 1286 CG LYS A 85 8.726 -6.125 4.535 1.00 0.00 C ATOM 1287 CD LYS A 85 9.870 -5.426 5.251 1.00 0.00 C ATOM 1288 CE LYS A 85 11.169 -5.541 4.471 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.362 -5.398 5.351 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.883 -6.738 2.791 1.00 0.00 H new ATOM 0 HA LYS A 85 6.382 -7.601 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.079 -4.774 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.491 -5.617 6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.859 -7.205 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.745 -5.866 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.622 -4.374 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.000 -5.861 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.205 -6.506 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.196 -4.775 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.227 -5.483 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.342 -4.467 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.351 -6.145 6.075 1.00 0.00 H new ATOM 1303 N ALA A 86 4.506 -6.057 6.356 1.00 0.00 N ATOM 1304 CA ALA A 86 3.226 -5.465 6.725 1.00 0.00 C ATOM 1305 C ALA A 86 3.237 -5.001 8.177 1.00 0.00 C ATOM 1306 O ALA A 86 3.540 -5.776 9.084 1.00 0.00 O ATOM 1307 CB ALA A 86 2.101 -6.460 6.496 1.00 0.00 C ATOM 0 H ALA A 86 5.048 -6.412 7.144 1.00 0.00 H new ATOM 0 HA ALA A 86 3.059 -4.593 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.151 -6.005 6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.073 -6.742 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.271 -7.348 7.105 1.00 0.00 H new ATOM 1313 N LYS A 87 2.905 -3.732 8.391 1.00 0.00 N ATOM 1314 CA LYS A 87 2.878 -3.165 9.735 1.00 0.00 C ATOM 1315 C LYS A 87 1.564 -2.437 9.993 1.00 0.00 C ATOM 1316 O LYS A 87 0.962 -1.877 9.076 1.00 0.00 O ATOM 1317 CB LYS A 87 4.053 -2.205 9.929 1.00 0.00 C ATOM 1318 CG LYS A 87 5.400 -2.903 10.027 1.00 0.00 C ATOM 1319 CD LYS A 87 5.954 -3.241 8.653 1.00 0.00 C ATOM 1320 CE LYS A 87 7.474 -3.241 8.649 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.031 -1.888 8.922 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.651 -3.077 7.652 1.00 0.00 H new ATOM 0 HA LYS A 87 2.964 -3.984 10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.078 -1.501 9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.889 -1.622 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.105 -2.263 10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.296 -3.816 10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.588 -4.220 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.587 -2.518 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.839 -3.942 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.834 -3.593 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.977 -1.810 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.406 -1.166 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.100 -1.742 9.949 1.00 0.00 H new ATOM 1335 N GLU A 88 1.124 -2.447 11.247 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.119 -1.786 11.628 1.00 0.00 C ATOM 1337 C GLU A 88 0.148 -0.652 12.613 1.00 0.00 C ATOM 1338 O GLU A 88 0.801 -0.849 13.638 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.089 -2.795 12.245 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.587 -3.407 13.543 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.893 -4.888 13.647 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.978 -5.552 12.592 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -1.048 -5.384 14.783 1.00 0.00 O ATOM 0 H GLU A 88 1.610 -2.906 12.017 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.568 -1.364 10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.043 -2.302 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.277 -3.592 11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.490 -3.256 13.619 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.042 -2.886 14.386 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.359 0.534 12.295 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.172 1.699 13.152 1.00 0.00 C ATOM 1352 C GLN A 89 -1.470 2.489 13.289 1.00 0.00 C ATOM 1353 O GLN A 89 -2.329 2.450 12.407 1.00 0.00 O ATOM 1354 CB GLN A 89 0.930 2.598 12.590 1.00 0.00 C ATOM 1355 CG GLN A 89 2.245 1.871 12.357 1.00 0.00 C ATOM 1356 CD GLN A 89 3.124 2.565 11.335 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.769 1.916 10.512 1.00 0.00 O ATOM 1358 NE2 GLN A 89 3.156 3.892 11.383 1.00 0.00 N ATOM 0 H GLN A 89 -0.902 0.714 11.451 1.00 0.00 H new ATOM 0 HA GLN A 89 0.123 1.348 14.141 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.591 3.030 11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.099 3.426 13.278 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.784 1.793 13.301 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.039 0.854 12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.605 4.390 12.082 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.731 4.413 10.721 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.607 3.203 14.402 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.801 4.000 14.657 1.00 0.00 C ATOM 1369 C VAL A 90 -2.481 5.492 14.652 1.00 0.00 C ATOM 1370 O VAL A 90 -1.635 5.958 15.415 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.446 3.631 16.005 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.792 4.322 16.162 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.596 2.122 16.130 1.00 0.00 C ATOM 0 H VAL A 90 -0.906 3.246 15.141 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.503 3.779 13.853 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.792 3.976 16.805 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.232 4.048 17.121 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.653 5.402 16.121 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.457 4.011 15.356 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.054 1.880 17.089 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.228 1.751 15.323 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.614 1.652 16.068 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.167 6.234 13.789 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.962 7.674 13.682 1.00 0.00 C ATOM 1385 C VAL A 91 -4.148 8.342 12.995 1.00 0.00 C ATOM 1386 O VAL A 91 -4.261 8.320 11.770 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.676 8.007 12.902 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.451 7.814 13.783 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.575 7.158 11.644 1.00 0.00 C ATOM 0 H VAL A 91 -3.871 5.861 13.152 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.866 8.057 14.698 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.719 9.054 12.602 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.447 8.054 13.214 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.519 8.472 14.649 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.403 6.778 14.117 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.660 7.409 11.108 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.558 6.103 11.917 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.435 7.353 11.004 1.00 0.00 H new ATOM 1399 N SER A 92 -5.033 8.931 13.792 1.00 0.00 N ATOM 1400 CA SER A 92 -6.214 9.600 13.259 1.00 0.00 C ATOM 1401 C SER A 92 -7.092 8.617 12.490 1.00 0.00 C ATOM 1402 O SER A 92 -7.845 9.006 11.597 1.00 0.00 O ATOM 1403 CB SER A 92 -5.803 10.757 12.346 1.00 0.00 C ATOM 1404 OG SER A 92 -4.928 11.649 13.015 1.00 0.00 O ATOM 0 H SER A 92 -4.955 8.959 14.809 1.00 0.00 H new ATOM 0 HA SER A 92 -6.788 9.995 14.097 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.315 10.365 11.454 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.691 11.295 12.013 1.00 0.00 H new ATOM 0 HG SER A 92 -4.679 12.378 12.410 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.988 7.339 12.842 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.773 6.317 12.177 1.00 0.00 C ATOM 1412 C GLY A 93 -7.052 4.985 12.125 1.00 0.00 C ATOM 1413 O GLY A 93 -6.839 4.347 13.156 1.00 0.00 O ATOM 0 H GLY A 93 -6.372 6.993 13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.723 6.194 12.698 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.006 6.642 11.163 1.00 0.00 H new ATOM 1417 N MET A 94 -6.674 4.566 10.923 1.00 0.00 N ATOM 1418 CA MET A 94 -5.970 3.303 10.742 1.00 0.00 C ATOM 1419 C MET A 94 -4.953 3.405 9.609 1.00 0.00 C ATOM 1420 O MET A 94 -5.319 3.581 8.447 1.00 0.00 O ATOM 1421 CB MET A 94 -6.964 2.178 10.450 1.00 0.00 C ATOM 1422 CG MET A 94 -7.858 1.836 11.631 1.00 0.00 C ATOM 1423 SD MET A 94 -7.015 0.839 12.875 1.00 0.00 S ATOM 1424 CE MET A 94 -7.186 1.884 14.319 1.00 0.00 C ATOM 0 H MET A 94 -6.843 5.082 10.060 1.00 0.00 H new ATOM 0 HA MET A 94 -5.437 3.077 11.666 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.588 2.466 9.604 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.413 1.286 10.151 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.215 2.758 12.091 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.736 1.298 11.273 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.385 1.265 15.194 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.265 2.446 14.473 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.013 2.578 14.170 1.00 0.00 H new ATOM 1434 N MET A 95 -3.675 3.290 9.955 1.00 0.00 N ATOM 1435 CA MET A 95 -2.605 3.366 8.967 1.00 0.00 C ATOM 1436 C MET A 95 -1.824 2.057 8.918 1.00 0.00 C ATOM 1437 O MET A 95 -1.398 1.538 9.950 1.00 0.00 O ATOM 1438 CB MET A 95 -1.662 4.527 9.290 1.00 0.00 C ATOM 1439 CG MET A 95 -1.203 5.296 8.061 1.00 0.00 C ATOM 1440 SD MET A 95 -0.282 6.788 8.478 1.00 0.00 S ATOM 1441 CE MET A 95 -1.594 8.008 8.481 1.00 0.00 C ATOM 0 H MET A 95 -3.355 3.144 10.912 1.00 0.00 H new ATOM 0 HA MET A 95 -3.055 3.539 7.990 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.164 5.213 9.972 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.788 4.140 9.814 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.579 4.649 7.445 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.072 5.566 7.461 1.00 0.00 H new ATOM 0 HE1 MET A 95 -1.240 8.922 8.958 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.891 8.226 7.455 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.451 7.620 9.032 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.642 1.524 7.714 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.917 0.272 7.536 1.00 0.00 C ATOM 1453 C HIS A 96 0.332 0.473 6.684 1.00 0.00 C ATOM 1454 O HIS A 96 0.248 0.891 5.528 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.823 -0.778 6.891 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.443 -2.186 7.232 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.462 -2.681 8.519 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.034 -3.209 6.444 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.080 -3.946 8.508 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -0.815 -4.290 7.262 1.00 0.00 N ATOM 0 H HIS A 96 -1.986 1.939 6.848 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.606 -0.077 8.521 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.852 -0.601 7.206 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.795 -0.655 5.808 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -1.729 -2.153 9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.904 -3.180 5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.999 -4.589 9.372 1.00 0.00 H new ATOM 1469 N TYR A 97 1.489 0.166 7.261 1.00 0.00 N ATOM 1470 CA TYR A 97 2.758 0.303 6.557 1.00 0.00 C ATOM 1471 C TYR A 97 3.211 -1.047 6.014 1.00 0.00 C ATOM 1472 O TYR A 97 3.842 -1.832 6.722 1.00 0.00 O ATOM 1473 CB TYR A 97 3.826 0.875 7.492 1.00 0.00 C ATOM 1474 CG TYR A 97 3.645 2.346 7.798 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.442 2.830 8.296 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.680 3.249 7.590 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.274 4.173 8.577 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.520 4.593 7.869 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.316 5.050 8.362 1.00 0.00 C ATOM 1480 OH TYR A 97 3.154 6.387 8.641 1.00 0.00 O ATOM 0 H TYR A 97 1.574 -0.180 8.217 1.00 0.00 H new ATOM 0 HA TYR A 97 2.617 0.989 5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.815 0.315 8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.807 0.725 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.624 2.146 8.467 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.625 2.895 7.204 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.332 4.533 8.963 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.334 5.282 7.702 1.00 0.00 H new ATOM 0 HH TYR A 97 2.201 6.612 8.619 1.00 0.00 H new ATOM 1490 N LEU A 98 2.877 -1.318 4.757 1.00 0.00 N ATOM 1491 CA LEU A 98 3.241 -2.582 4.126 1.00 0.00 C ATOM 1492 C LEU A 98 4.240 -2.372 2.995 1.00 0.00 C ATOM 1493 O LEU A 98 4.146 -1.404 2.239 1.00 0.00 O ATOM 1494 CB LEU A 98 1.992 -3.283 3.590 1.00 0.00 C ATOM 1495 CG LEU A 98 1.312 -2.580 2.411 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.986 -3.575 1.308 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.053 -1.861 2.874 1.00 0.00 C ATOM 0 H LEU A 98 2.355 -0.680 4.155 1.00 0.00 H new ATOM 0 HA LEU A 98 3.712 -3.208 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.264 -4.293 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.271 -3.379 4.402 1.00 0.00 H new ATOM 0 HG LEU A 98 2.003 -1.839 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.504 -3.055 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.906 -4.043 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.315 -4.341 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.417 -1.367 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.641 -2.583 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.315 -1.117 3.627 1.00 0.00 H new ATOM 1509 N THR A 99 5.192 -3.291 2.880 1.00 0.00 N ATOM 1510 CA THR A 99 6.205 -3.217 1.835 1.00 0.00 C ATOM 1511 C THR A 99 6.034 -4.368 0.851 1.00 0.00 C ATOM 1512 O THR A 99 5.825 -5.511 1.255 1.00 0.00 O ATOM 1513 CB THR A 99 7.605 -3.255 2.448 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.650 -2.498 3.645 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.677 -2.716 1.526 1.00 0.00 C ATOM 0 H THR A 99 5.283 -4.097 3.499 1.00 0.00 H new ATOM 0 HA THR A 99 6.082 -2.275 1.300 1.00 0.00 H new ATOM 0 HB THR A 99 7.807 -4.309 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.499 -2.664 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.646 -2.772 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.703 -3.309 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.456 -1.678 1.278 1.00 0.00 H new ATOM 1523 N VAL A 100 6.114 -4.062 -0.440 1.00 0.00 N ATOM 1524 CA VAL A 100 5.957 -5.083 -1.469 1.00 0.00 C ATOM 1525 C VAL A 100 7.012 -4.940 -2.562 1.00 0.00 C ATOM 1526 O VAL A 100 7.629 -3.884 -2.713 1.00 0.00 O ATOM 1527 CB VAL A 100 4.547 -5.032 -2.102 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.482 -4.894 -1.025 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.438 -3.895 -3.111 1.00 0.00 C ATOM 0 H VAL A 100 6.285 -3.122 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 100 6.088 -6.048 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 100 4.384 -5.970 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.497 -4.860 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.535 -5.748 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.650 -3.975 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.436 -3.884 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.630 -2.945 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.171 -4.041 -3.905 1.00 0.00 H new ATOM 1539 N GLU A 101 7.208 -6.009 -3.326 1.00 0.00 N ATOM 1540 CA GLU A 101 8.181 -6.005 -4.411 1.00 0.00 C ATOM 1541 C GLU A 101 7.531 -5.529 -5.705 1.00 0.00 C ATOM 1542 O GLU A 101 6.432 -5.959 -6.053 1.00 0.00 O ATOM 1543 CB GLU A 101 8.770 -7.404 -4.604 1.00 0.00 C ATOM 1544 CG GLU A 101 10.037 -7.646 -3.801 1.00 0.00 C ATOM 1545 CD GLU A 101 10.489 -9.093 -3.848 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.685 -9.978 -3.489 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 11.648 -9.340 -4.243 1.00 0.00 O ATOM 0 H GLU A 101 6.706 -6.889 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 101 8.986 -5.318 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.023 -8.146 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.985 -7.556 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.833 -7.008 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.867 -7.356 -2.764 1.00 0.00 H new ATOM 1554 N VAL A 102 8.212 -4.633 -6.410 1.00 0.00 N ATOM 1555 CA VAL A 102 7.691 -4.096 -7.661 1.00 0.00 C ATOM 1556 C VAL A 102 8.666 -4.319 -8.811 1.00 0.00 C ATOM 1557 O VAL A 102 9.873 -4.445 -8.602 1.00 0.00 O ATOM 1558 CB VAL A 102 7.394 -2.589 -7.541 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.609 -2.101 -8.747 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.642 -2.292 -6.252 1.00 0.00 C ATOM 0 H VAL A 102 9.123 -4.264 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 102 6.764 -4.630 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 102 8.343 -2.053 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.409 -1.035 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.189 -2.275 -9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.665 -2.643 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.442 -1.223 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.699 -2.839 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.246 -2.601 -5.399 1.00 0.00 H new ATOM 1570 N ASN A 103 8.132 -4.366 -10.027 1.00 0.00 N ATOM 1571 CA ASN A 103 8.949 -4.572 -11.216 1.00 0.00 C ATOM 1572 C ASN A 103 8.614 -3.540 -12.288 1.00 0.00 C ATOM 1573 O ASN A 103 7.466 -3.114 -12.415 1.00 0.00 O ATOM 1574 CB ASN A 103 8.740 -5.984 -11.767 1.00 0.00 C ATOM 1575 CG ASN A 103 9.778 -6.360 -12.806 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.797 -5.811 -13.907 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.649 -7.301 -12.459 1.00 0.00 N ATOM 0 H ASN A 103 7.135 -4.264 -10.214 1.00 0.00 H new ATOM 0 HA ASN A 103 9.995 -4.452 -10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.776 -6.700 -10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.746 -6.055 -12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.371 -7.595 -13.117 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.596 -7.729 -11.535 1.00 0.00 H new ATOM 1584 N ASP A 104 9.623 -3.142 -13.057 1.00 0.00 N ATOM 1585 CA ASP A 104 9.433 -2.158 -14.116 1.00 0.00 C ATOM 1586 C ASP A 104 10.339 -2.454 -15.307 1.00 0.00 C ATOM 1587 O ASP A 104 11.550 -2.241 -15.247 1.00 0.00 O ATOM 1588 CB ASP A 104 9.712 -0.750 -13.588 1.00 0.00 C ATOM 1589 CG ASP A 104 8.907 0.310 -14.314 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.522 0.070 -15.478 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 8.662 1.381 -13.720 1.00 0.00 O ATOM 0 H ASP A 104 10.579 -3.486 -12.966 1.00 0.00 H new ATOM 0 HA ASP A 104 8.397 -2.217 -14.448 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.481 -0.712 -12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.774 -0.530 -13.692 1.00 0.00 H new ATOM 1596 N ALA A 105 9.743 -2.945 -16.390 1.00 0.00 N ATOM 1597 CA ALA A 105 10.495 -3.269 -17.597 1.00 0.00 C ATOM 1598 C ALA A 105 11.623 -4.251 -17.299 1.00 0.00 C ATOM 1599 O ALA A 105 12.658 -4.243 -17.966 1.00 0.00 O ATOM 1600 CB ALA A 105 11.049 -2.001 -18.228 1.00 0.00 C ATOM 0 H ALA A 105 8.742 -3.127 -16.456 1.00 0.00 H new ATOM 0 HA ALA A 105 9.814 -3.746 -18.301 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.608 -2.257 -19.128 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.226 -1.335 -18.489 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.710 -1.501 -17.520 1.00 0.00 H new ATOM 1606 N GLY A 106 11.418 -5.094 -16.293 1.00 0.00 N ATOM 1607 CA GLY A 106 12.427 -6.069 -15.925 1.00 0.00 C ATOM 1608 C GLY A 106 13.138 -5.711 -14.635 1.00 0.00 C ATOM 1609 O GLY A 106 13.620 -6.589 -13.919 1.00 0.00 O ATOM 0 H GLY A 106 10.571 -5.119 -15.726 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.960 -7.048 -15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.159 -6.151 -16.729 1.00 0.00 H new ATOM 1613 N LYS A 107 13.205 -4.417 -14.337 1.00 0.00 N ATOM 1614 CA LYS A 107 13.863 -3.946 -13.124 1.00 0.00 C ATOM 1615 C LYS A 107 13.057 -4.329 -11.887 1.00 0.00 C ATOM 1616 O LYS A 107 11.981 -3.784 -11.642 1.00 0.00 O ATOM 1617 CB LYS A 107 14.051 -2.429 -13.175 1.00 0.00 C ATOM 1618 CG LYS A 107 15.340 -1.999 -13.857 1.00 0.00 C ATOM 1619 CD LYS A 107 15.442 -0.485 -13.950 1.00 0.00 C ATOM 1620 CE LYS A 107 15.980 0.117 -12.662 1.00 0.00 C ATOM 1621 NZ LYS A 107 16.520 1.489 -12.873 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.812 -3.677 -14.919 1.00 0.00 H new ATOM 0 HA LYS A 107 14.841 -4.423 -13.062 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.206 -1.984 -13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.038 -2.035 -12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.194 -2.389 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.385 -2.430 -14.857 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.094 -0.213 -14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.459 -0.066 -14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.185 0.150 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.765 -0.524 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.877 1.864 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.296 1.454 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.765 2.108 -13.231 1.00 0.00 H new ATOM 1635 N LYS A 108 13.586 -5.269 -11.110 1.00 0.00 N ATOM 1636 CA LYS A 108 12.916 -5.726 -9.898 1.00 0.00 C ATOM 1637 C LYS A 108 13.506 -5.053 -8.663 1.00 0.00 C ATOM 1638 O LYS A 108 14.719 -4.866 -8.566 1.00 0.00 O ATOM 1639 CB LYS A 108 13.032 -7.246 -9.771 1.00 0.00 C ATOM 1640 CG LYS A 108 12.345 -7.809 -8.537 1.00 0.00 C ATOM 1641 CD LYS A 108 10.954 -8.328 -8.862 1.00 0.00 C ATOM 1642 CE LYS A 108 10.151 -8.594 -7.600 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.172 -10.033 -7.220 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.477 -5.729 -11.298 1.00 0.00 H new ATOM 0 HA LYS A 108 11.863 -5.453 -9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.603 -7.710 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.087 -7.521 -9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.947 -8.616 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.276 -7.035 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.429 -7.602 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.034 -9.246 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.553 -7.997 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.120 -8.274 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.807 -10.142 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.575 -10.574 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.148 -10.390 -7.264 1.00 0.00 H new ATOM 1657 N LYS A 109 12.641 -4.693 -7.721 1.00 0.00 N ATOM 1658 CA LYS A 109 13.080 -4.042 -6.492 1.00 0.00 C ATOM 1659 C LYS A 109 12.005 -4.126 -5.413 1.00 0.00 C ATOM 1660 O LYS A 109 10.889 -4.579 -5.667 1.00 0.00 O ATOM 1661 CB LYS A 109 13.431 -2.577 -6.763 1.00 0.00 C ATOM 1662 CG LYS A 109 14.880 -2.365 -7.169 1.00 0.00 C ATOM 1663 CD LYS A 109 15.376 -0.986 -6.763 1.00 0.00 C ATOM 1664 CE LYS A 109 16.719 -0.668 -7.399 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.829 0.768 -7.778 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.634 -4.841 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 109 13.968 -4.563 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.782 -2.196 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.223 -1.991 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.504 -3.129 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.978 -2.485 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.645 -0.234 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.465 -0.935 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.519 -0.922 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.857 -1.289 -8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.760 0.943 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.082 1.005 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.723 1.360 -6.930 1.00 0.00 H new ATOM 1679 N LEU A 110 12.351 -3.684 -4.208 1.00 0.00 N ATOM 1680 CA LEU A 110 11.420 -3.705 -3.086 1.00 0.00 C ATOM 1681 C LEU A 110 11.075 -2.284 -2.648 1.00 0.00 C ATOM 1682 O LEU A 110 11.952 -1.516 -2.258 1.00 0.00 O ATOM 1683 CB LEU A 110 12.024 -4.486 -1.914 1.00 0.00 C ATOM 1684 CG LEU A 110 11.272 -4.361 -0.586 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.789 -4.633 -0.781 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.858 -5.310 0.448 1.00 0.00 C ATOM 0 H LEU A 110 13.271 -3.306 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 110 10.503 -4.200 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.072 -5.540 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.050 -4.149 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 110 11.386 -3.340 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.273 -4.539 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.377 -3.913 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.652 -5.642 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.312 -5.208 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.775 -6.336 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.908 -5.067 0.611 1.00 0.00 H new ATOM 1698 N TYR A 111 9.792 -1.942 -2.717 1.00 0.00 N ATOM 1699 CA TYR A 111 9.338 -0.611 -2.329 1.00 0.00 C ATOM 1700 C TYR A 111 8.323 -0.687 -1.192 1.00 0.00 C ATOM 1701 O TYR A 111 7.496 -1.597 -1.142 1.00 0.00 O ATOM 1702 CB TYR A 111 8.724 0.112 -3.530 1.00 0.00 C ATOM 1703 CG TYR A 111 9.572 0.050 -4.784 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.961 0.031 -4.713 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.980 0.014 -6.041 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.733 -0.023 -5.857 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.747 -0.041 -7.189 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.122 -0.059 -7.092 1.00 0.00 C ATOM 1709 OH TYR A 111 11.888 -0.113 -8.234 1.00 0.00 O ATOM 0 H TYR A 111 9.051 -2.566 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 111 10.204 -0.049 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.747 -0.322 -3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.558 1.157 -3.267 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.444 0.059 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.903 0.029 -6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.810 -0.037 -5.784 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.271 -0.070 -8.158 1.00 0.00 H new ATOM 0 HH TYR A 111 11.303 -0.134 -9.020 1.00 0.00 H new ATOM 1719 N GLU A 112 8.395 0.278 -0.280 1.00 0.00 N ATOM 1720 CA GLU A 112 7.487 0.327 0.860 1.00 0.00 C ATOM 1721 C GLU A 112 6.282 1.214 0.558 1.00 0.00 C ATOM 1722 O GLU A 112 6.400 2.225 -0.135 1.00 0.00 O ATOM 1723 CB GLU A 112 8.218 0.846 2.099 1.00 0.00 C ATOM 1724 CG GLU A 112 7.703 0.254 3.402 1.00 0.00 C ATOM 1725 CD GLU A 112 7.389 1.313 4.441 1.00 0.00 C ATOM 1726 OE1 GLU A 112 6.383 2.032 4.270 1.00 0.00 O ATOM 1727 OE2 GLU A 112 8.149 1.421 5.426 1.00 0.00 O1- ATOM 0 H GLU A 112 9.075 1.038 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 112 7.132 -0.685 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.281 0.623 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.122 1.931 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.805 -0.330 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.447 -0.434 3.803 1.00 0.00 H new ATOM 1734 N ALA A 113 5.123 0.828 1.083 1.00 0.00 N ATOM 1735 CA ALA A 113 3.896 1.586 0.871 1.00 0.00 C ATOM 1736 C ALA A 113 3.091 1.705 2.161 1.00 0.00 C ATOM 1737 O ALA A 113 2.840 0.709 2.841 1.00 0.00 O ATOM 1738 CB ALA A 113 3.055 0.933 -0.216 1.00 0.00 C ATOM 0 H ALA A 113 5.009 -0.006 1.659 1.00 0.00 H new ATOM 0 HA ALA A 113 4.172 2.591 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.142 1.509 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.622 0.905 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.799 -0.083 0.084 1.00 0.00 H new ATOM 1744 N LYS A 114 2.685 2.927 2.490 1.00 0.00 N ATOM 1745 CA LYS A 114 1.902 3.169 3.698 1.00 0.00 C ATOM 1746 C LYS A 114 0.543 3.768 3.352 1.00 0.00 C ATOM 1747 O LYS A 114 0.459 4.859 2.790 1.00 0.00 O ATOM 1748 CB LYS A 114 2.655 4.096 4.654 1.00 0.00 C ATOM 1749 CG LYS A 114 3.069 5.411 4.023 1.00 0.00 C ATOM 1750 CD LYS A 114 4.335 5.962 4.659 1.00 0.00 C ATOM 1751 CE LYS A 114 5.577 5.272 4.117 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.809 6.069 4.370 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.884 3.763 1.940 1.00 0.00 H new ATOM 0 HA LYS A 114 1.744 2.210 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.025 4.300 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.544 3.582 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.230 5.268 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.262 6.136 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.401 7.034 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.287 5.831 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.678 4.290 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.463 5.109 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.341 6.177 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.547 7.008 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.401 5.580 5.071 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.520 3.043 3.688 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.877 3.499 3.410 1.00 0.00 C ATOM 1768 C VAL A 115 -2.580 3.952 4.685 1.00 0.00 C ATOM 1769 O VAL A 115 -2.300 3.450 5.773 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.715 2.392 2.742 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.054 2.943 2.277 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.952 1.772 1.581 1.00 0.00 C ATOM 0 H VAL A 115 -0.467 2.137 4.153 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.791 4.344 2.727 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.906 1.612 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.632 2.147 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.604 3.334 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.888 3.744 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.559 0.992 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.728 2.540 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.021 1.338 1.947 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.495 4.907 4.541 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.240 5.432 5.680 1.00 0.00 C ATOM 1784 C TRP A 116 -5.743 5.335 5.440 1.00 0.00 C ATOM 1785 O TRP A 116 -6.217 5.522 4.318 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.847 6.886 5.943 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.486 7.466 7.168 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.506 6.924 8.420 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.200 8.705 7.254 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.187 7.751 9.281 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.623 8.850 8.589 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.522 9.705 6.333 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.351 9.956 9.023 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.245 10.802 6.765 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.652 10.919 8.100 1.00 0.00 C ATOM 0 H TRP A 116 -3.738 5.333 3.646 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.992 4.830 6.554 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.763 6.949 6.044 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.122 7.490 5.079 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.053 5.983 8.694 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.342 7.575 10.274 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.212 9.623 5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.666 10.049 10.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.500 11.581 6.062 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.215 11.788 8.407 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.487 5.041 6.502 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.938 4.917 6.413 1.00 0.00 C ATOM 1808 C GLU A 117 -8.591 5.232 7.756 1.00 0.00 C ATOM 1809 O GLU A 117 -8.271 4.614 8.772 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.322 3.506 5.962 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.823 3.263 5.924 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.210 2.157 4.962 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.468 1.155 4.879 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.255 2.292 4.292 1.00 0.00 O ATOM 0 H GLU A 117 -6.108 4.884 7.436 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.298 5.636 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.909 3.326 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.863 2.782 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.171 3.008 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.329 4.184 5.636 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.505 6.197 7.755 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.199 6.592 8.973 1.00 0.00 C ATOM 1823 C GLN A 118 -11.589 5.967 9.036 1.00 0.00 C ATOM 1824 O GLN A 118 -12.034 5.320 8.087 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.312 8.115 9.045 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.074 8.845 8.551 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.151 9.192 7.077 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.945 10.038 6.667 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.322 8.538 6.271 1.00 0.00 N ATOM 0 H GLN A 118 -9.782 6.719 6.924 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.620 6.233 9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.171 8.435 8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.508 8.407 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.941 9.759 9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.196 8.225 8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.680 7.844 6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.328 8.730 5.269 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.271 6.166 10.159 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.611 5.625 10.348 1.00 0.00 C ATOM 1840 C VAL A 119 -14.639 6.745 10.480 1.00 0.00 C ATOM 1841 O VAL A 119 -15.759 6.637 9.978 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.682 4.721 11.595 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.346 5.512 12.851 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.055 4.076 11.713 1.00 0.00 C ATOM 0 H VAL A 119 -11.916 6.699 10.953 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.841 5.027 9.466 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.943 3.928 11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.402 4.856 13.720 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.338 5.918 12.767 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.057 6.330 12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.084 3.442 12.599 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.816 4.852 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.250 3.471 10.828 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.250 7.821 11.156 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.135 8.964 11.354 1.00 0.00 C ATOM 1856 C TRP A 120 -15.121 9.886 10.137 1.00 0.00 C ATOM 1857 O TRP A 120 -16.050 10.665 9.928 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.719 9.745 12.601 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.289 10.188 12.573 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.790 11.309 11.973 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.172 9.519 13.167 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.431 11.378 12.160 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.028 10.290 12.889 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.028 8.342 13.908 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.758 9.922 13.327 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.767 7.978 14.341 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.647 8.766 14.050 1.00 0.00 C ATOM 0 H TRP A 120 -13.327 7.926 11.577 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.149 8.586 11.488 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.361 10.620 12.704 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.882 9.124 13.482 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.378 12.035 11.431 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.821 12.118 11.813 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.887 7.728 14.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.892 10.528 13.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.644 7.071 14.913 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.675 8.455 14.404 1.00 0.00 H new ATOM 1878 N MET A 121 -14.063 9.790 9.336 1.00 0.00 N ATOM 1879 CA MET A 121 -13.933 10.614 8.140 1.00 0.00 C ATOM 1880 C MET A 121 -14.382 9.843 6.903 1.00 0.00 C ATOM 1881 O MET A 121 -14.788 10.435 5.903 1.00 0.00 O ATOM 1882 CB MET A 121 -12.485 11.079 7.970 1.00 0.00 C ATOM 1883 CG MET A 121 -12.280 12.011 6.786 1.00 0.00 C ATOM 1884 SD MET A 121 -12.105 13.736 7.280 1.00 0.00 S ATOM 1885 CE MET A 121 -10.375 14.019 6.916 1.00 0.00 C ATOM 0 H MET A 121 -13.285 9.150 9.494 1.00 0.00 H new ATOM 0 HA MET A 121 -14.574 11.488 8.256 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.166 11.586 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.844 10.206 7.850 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.391 11.703 6.236 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.125 11.917 6.104 1.00 0.00 H new ATOM 0 HE1 MET A 121 -10.113 15.046 7.169 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.763 13.334 7.502 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.194 13.849 5.855 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.306 8.518 6.980 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.704 7.662 5.871 1.00 0.00 C ATOM 1897 C ASN A 122 -13.832 7.918 4.646 1.00 0.00 C ATOM 1898 O ASN A 122 -14.332 8.031 3.526 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.177 7.889 5.524 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.105 7.015 6.344 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.942 6.296 5.799 1.00 0.00 O ATOM 1902 ND2 ASN A 122 -16.962 7.074 7.663 1.00 0.00 N ATOM 0 H ASN A 122 -13.971 8.014 7.801 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.569 6.625 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.429 8.937 5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.333 7.686 4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.559 6.509 8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -16.255 7.684 8.073 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.525 8.008 4.867 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.582 8.250 3.782 1.00 0.00 C ATOM 1911 C PHE A 123 -10.406 7.281 3.859 1.00 0.00 C ATOM 1912 O PHE A 123 -9.911 6.975 4.944 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.076 9.693 3.829 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.780 10.608 2.867 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -11.987 10.223 1.552 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -12.233 11.851 3.278 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -12.634 11.062 0.664 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -12.881 12.694 2.395 1.00 0.00 C ATOM 1919 CZ PHE A 123 -13.081 12.299 1.086 1.00 0.00 C ATOM 0 H PHE A 123 -12.095 7.917 5.787 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.102 8.087 2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.198 10.079 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.008 9.702 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -11.639 9.257 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.078 12.165 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -12.790 10.751 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -13.231 13.660 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 123 -13.586 12.956 0.394 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.964 6.803 2.700 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.847 5.869 2.633 1.00 0.00 C ATOM 1931 C ARG A 124 -8.029 6.093 1.365 1.00 0.00 C ATOM 1932 O ARG A 124 -8.571 6.113 0.261 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.356 4.428 2.677 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.409 4.120 1.625 1.00 0.00 C ATOM 1935 CD ARG A 124 -11.760 4.707 2.002 1.00 0.00 C ATOM 1936 NE ARG A 124 -12.864 3.827 1.626 1.00 0.00 N ATOM 1937 CZ ARG A 124 -14.148 4.135 1.791 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -14.494 5.300 2.324 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -15.088 3.277 1.421 1.00 0.00 N ATOM 0 H ARG A 124 -10.363 7.048 1.794 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.205 6.046 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.513 3.750 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.772 4.229 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.092 4.522 0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.501 3.040 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.790 4.887 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.884 5.673 1.513 1.00 0.00 H new ATOM 0 HE ARG A 124 -12.637 2.923 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -13.774 5.964 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -15.480 5.531 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -14.827 2.381 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -16.072 3.513 1.547 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.721 6.263 1.531 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.833 6.487 0.395 1.00 0.00 C ATOM 1955 C GLN A 125 -4.379 6.230 0.776 1.00 0.00 C ATOM 1956 O GLN A 125 -4.064 5.995 1.943 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.990 7.916 -0.127 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.590 8.980 0.882 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.748 9.420 1.755 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.911 9.296 1.373 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.434 9.940 2.936 1.00 0.00 N ATOM 0 H GLN A 125 -6.254 6.250 2.438 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.111 5.786 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.385 8.034 -1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.028 8.075 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.790 8.594 1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.189 9.845 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.456 10.024 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.171 10.255 3.567 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.497 6.280 -0.217 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.074 6.056 0.012 1.00 0.00 C ATOM 1972 C LEU A 126 -1.422 7.297 0.613 1.00 0.00 C ATOM 1973 O LEU A 126 -1.729 8.423 0.222 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.378 5.680 -1.299 1.00 0.00 C ATOM 1975 CG LEU A 126 0.149 5.579 -1.218 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.643 4.330 -1.934 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.797 6.824 -1.805 1.00 0.00 C ATOM 0 H LEU A 126 -3.743 6.474 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.967 5.233 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.772 4.723 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.638 6.420 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 126 0.433 5.505 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.730 4.277 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.206 3.447 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.348 4.371 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.881 6.735 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.504 6.928 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.470 7.702 -1.247 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.523 7.082 1.566 1.00 0.00 N ATOM 1990 CA GLN A 127 0.172 8.183 2.222 1.00 0.00 C ATOM 1991 C GLN A 127 1.526 8.440 1.570 1.00 0.00 C ATOM 1992 O GLN A 127 1.778 9.528 1.052 1.00 0.00 O ATOM 1993 CB GLN A 127 0.354 7.882 3.712 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.669 8.568 4.605 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.087 8.447 4.076 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.874 9.389 4.158 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.419 7.283 3.529 1.00 0.00 N ATOM 0 H GLN A 127 -0.258 6.156 1.902 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.436 9.081 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.293 6.805 3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.354 8.191 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.621 8.135 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.411 9.623 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.735 6.528 3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.358 7.144 3.156 1.00 0.00 H new ATOM 2006 N GLU A 128 2.396 7.436 1.601 1.00 0.00 N ATOM 2007 CA GLU A 128 3.724 7.564 1.013 1.00 0.00 C ATOM 2008 C GLU A 128 4.199 6.240 0.422 1.00 0.00 C ATOM 2009 O GLU A 128 3.738 5.165 0.814 1.00 0.00 O ATOM 2010 CB GLU A 128 4.731 8.052 2.058 1.00 0.00 C ATOM 2011 CG GLU A 128 4.159 9.061 3.042 1.00 0.00 C ATOM 2012 CD GLU A 128 3.967 10.433 2.425 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.607 10.713 1.390 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 3.176 11.227 2.977 1.00 0.00 O ATOM 0 H GLU A 128 2.206 6.528 2.025 1.00 0.00 H new ATOM 0 HA GLU A 128 3.657 8.297 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.109 7.193 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.582 8.501 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.201 8.697 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.825 9.143 3.901 1.00 0.00 H new ATOM 2021 N PHE A 129 5.132 6.333 -0.521 1.00 0.00 N ATOM 2022 CA PHE A 129 5.692 5.157 -1.175 1.00 0.00 C ATOM 2023 C PHE A 129 7.203 5.306 -1.325 1.00 0.00 C ATOM 2024 O PHE A 129 7.679 6.128 -2.107 1.00 0.00 O ATOM 2025 CB PHE A 129 5.047 4.954 -2.547 1.00 0.00 C ATOM 2026 CG PHE A 129 5.017 3.520 -2.996 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.068 2.986 -3.724 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.937 2.708 -2.691 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.042 1.668 -4.140 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.905 1.389 -3.105 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.959 0.869 -3.830 1.00 0.00 C ATOM 0 H PHE A 129 5.518 7.218 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 129 5.483 4.284 -0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.027 5.338 -2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.590 5.545 -3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.917 3.607 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.111 3.110 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.868 1.264 -4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.057 0.766 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.936 -0.161 -4.154 1.00 0.00 H new ATOM 2041 N THR A 130 7.952 4.514 -0.565 1.00 0.00 N ATOM 2042 CA THR A 130 9.408 4.569 -0.612 1.00 0.00 C ATOM 2043 C THR A 130 9.971 3.460 -1.492 1.00 0.00 C ATOM 2044 O THR A 130 9.373 2.393 -1.622 1.00 0.00 O ATOM 2045 CB THR A 130 9.988 4.460 0.800 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.921 3.124 1.267 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.277 5.335 1.810 1.00 0.00 C ATOM 0 H THR A 130 7.576 3.828 0.089 1.00 0.00 H new ATOM 0 HA THR A 130 9.695 5.528 -1.044 1.00 0.00 H new ATOM 0 HB THR A 130 11.021 4.798 0.714 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.298 3.074 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.739 5.209 2.789 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.353 6.379 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.227 5.048 1.864 1.00 0.00 H new ATOM 2055 N TYR A 131 11.126 3.720 -2.096 1.00 0.00 N ATOM 2056 CA TYR A 131 11.770 2.743 -2.965 1.00 0.00 C ATOM 2057 C TYR A 131 13.034 2.187 -2.317 1.00 0.00 C ATOM 2058 O TYR A 131 14.058 2.866 -2.246 1.00 0.00 O ATOM 2059 CB TYR A 131 12.113 3.377 -4.315 1.00 0.00 C ATOM 2060 CG TYR A 131 12.787 4.725 -4.197 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.039 5.891 -4.091 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.172 4.832 -4.192 1.00 0.00 C ATOM 2063 CE1 TYR A 131 12.652 7.125 -3.984 1.00 0.00 C ATOM 2064 CE2 TYR A 131 14.793 6.062 -4.085 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.028 7.205 -3.981 1.00 0.00 C ATOM 2066 OH TYR A 131 14.642 8.432 -3.874 1.00 0.00 O ATOM 0 H TYR A 131 11.635 4.599 -1.999 1.00 0.00 H new ATOM 0 HA TYR A 131 11.072 1.921 -3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.765 2.702 -4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.199 3.487 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 131 10.961 5.832 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.774 3.939 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.056 8.022 -3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 131 15.871 6.128 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 131 15.615 8.313 -3.886 1.00 0.00 H new ATOM 2076 N LEU A 132 12.954 0.947 -1.844 1.00 0.00 N ATOM 2077 CA LEU A 132 14.091 0.299 -1.201 1.00 0.00 C ATOM 2078 C LEU A 132 14.958 -0.421 -2.228 1.00 0.00 C ATOM 2079 O LEU A 132 14.618 -0.482 -3.409 1.00 0.00 O ATOM 2080 CB LEU A 132 13.611 -0.692 -0.137 1.00 0.00 C ATOM 2081 CG LEU A 132 12.317 -0.302 0.582 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.987 -1.310 1.672 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.434 1.098 1.165 1.00 0.00 C ATOM 0 H LEU A 132 12.114 0.371 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 132 14.691 1.072 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.467 -1.664 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.399 -0.812 0.607 1.00 0.00 H new ATOM 0 HG LEU A 132 11.504 -0.305 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.064 -1.016 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.861 -2.298 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.799 -1.340 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.506 1.360 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.258 1.128 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.622 1.812 0.363 1.00 0.00 H new ATOM 2095 N GLY A 133 16.081 -0.964 -1.769 1.00 0.00 N ATOM 2096 CA GLY A 133 16.980 -1.673 -2.661 1.00 0.00 C ATOM 2097 C GLY A 133 16.315 -2.857 -3.334 1.00 0.00 C ATOM 2098 O GLY A 133 15.986 -2.802 -4.519 1.00 0.00 O ATOM 0 H GLY A 133 16.384 -0.926 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.348 -0.986 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.847 -2.019 -2.098 1.00 0.00 H new ATOM 2102 N ASP A 134 16.118 -3.931 -2.576 1.00 0.00 N ATOM 2103 CA ASP A 134 15.488 -5.135 -3.107 1.00 0.00 C ATOM 2104 C ASP A 134 15.239 -6.152 -1.998 1.00 0.00 C ATOM 2105 O ASP A 134 15.875 -6.106 -0.945 1.00 0.00 O ATOM 2106 CB ASP A 134 16.363 -5.756 -4.197 1.00 0.00 C ATOM 2107 CG ASP A 134 15.629 -6.817 -4.993 1.00 0.00 C ATOM 2108 OD1 ASP A 134 15.570 -7.974 -4.528 1.00 0.00 O ATOM 2109 OD2 ASP A 134 15.112 -6.490 -6.083 1.00 0.00 O1- ATOM 0 H ASP A 134 16.385 -3.992 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 134 14.528 -4.852 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.708 -4.973 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.249 -6.196 -3.740 1.00 0.00 H new ATOM 2114 N ALA A 135 14.310 -7.071 -2.242 1.00 0.00 N ATOM 2115 CA ALA A 135 13.977 -8.100 -1.264 1.00 0.00 C ATOM 2116 C ALA A 135 14.593 -9.441 -1.648 1.00 0.00 C ATOM 2117 O ALA A 135 15.057 -10.160 -0.738 1.00 0.00 O ATOM 2118 CB ALA A 135 12.468 -8.229 -1.128 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.605 -9.762 -2.855 1.00 0.00 O ATOM 0 H ALA A 135 13.775 -7.124 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 135 14.393 -7.801 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.233 -9.001 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.050 -7.277 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.038 -8.501 -2.092 1.00 0.00 H new TER 2125 ALA A 135