USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= -0.294 K(o=-2,f=-2.8) USER MOD Set 1.2: A 95 TYR OH : rot 15:sc= -1.7 USER MOD Set 2.1: A 33 GLN : amide:sc= -1.4 X(o=-2.8,f=-2.9!) USER MOD Set 2.2: A 59 TYR OH : rot 30:sc= -1.45 USER MOD Set 3.1: A 29 ASN : amide:sc= -0.114 K(o=0.14,f=-7.4!) USER MOD Set 3.2: A 31 SER OG : rot 127:sc= 0.257 USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.0586 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.5!) USER MOD Single : A 10 MET CE :methyl -121:sc= -6.8! (180deg=-12.8!) USER MOD Single : A 13 MET CE :methyl -126:sc= -5.42! (180deg=-6!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= 0.535 (180deg=0.0291) USER MOD Single : A 20 MET CE :methyl 160:sc= -2.46 (180deg=-3.56!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.613 (180deg=0.444) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0175 K(o=-0.018,f=-0.82) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 120:sc= -4.3! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.169 F(o=-2.3,f=-0.17) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 71 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.0036) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 134:sc= 1.52 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -1.9 F(o=-2.7,f=-1.9) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -2.75! C(o=-2.8!,f=-5.8!) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= -3.28! (180deg=-3.38!) USER MOD Single : A 98 GLN : amide:sc= -0.0517 K(o=-0.052,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 165:sc= -4.78! (180deg=-5.5!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.122 X(o=0.12,f=-0.046) USER MOD Single : A 118 SER OG : rot 97:sc= 0.438 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.007 -14.531 6.921 1.00 0.00 N ATOM 2 CA GLY A 1 3.699 -15.886 6.498 1.00 0.00 C ATOM 3 C GLY A 1 4.971 -16.729 6.386 1.00 0.00 C ATOM 4 O GLY A 1 6.034 -16.318 6.848 1.00 0.00 O ATOM 0 H1 GLY A 1 3.236 -14.170 7.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.895 -14.530 7.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.111 -13.921 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.015 -16.347 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.188 -15.863 5.535 1.00 0.00 H new ATOM 8 N SER A 2 4.820 -17.892 5.770 1.00 0.00 N ATOM 9 CA SER A 2 5.943 -18.796 5.592 1.00 0.00 C ATOM 10 C SER A 2 5.630 -19.810 4.489 1.00 0.00 C ATOM 11 O SER A 2 6.353 -19.897 3.498 1.00 0.00 O ATOM 12 CB SER A 2 6.281 -19.520 6.897 1.00 0.00 C ATOM 13 OG SER A 2 7.226 -20.567 6.698 1.00 0.00 O ATOM 0 H SER A 2 3.936 -18.229 5.388 1.00 0.00 H new ATOM 0 HA SER A 2 6.812 -18.207 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.679 -18.804 7.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.369 -19.932 7.329 1.00 0.00 H new ATOM 0 HG SER A 2 7.416 -21.003 7.555 1.00 0.00 H new ATOM 19 N SER A 3 4.551 -20.550 4.699 1.00 0.00 N ATOM 20 CA SER A 3 4.133 -21.554 3.736 1.00 0.00 C ATOM 21 C SER A 3 2.621 -21.768 3.826 1.00 0.00 C ATOM 22 O SER A 3 2.048 -21.723 4.913 1.00 0.00 O ATOM 23 CB SER A 3 4.871 -22.875 3.961 1.00 0.00 C ATOM 24 OG SER A 3 5.501 -23.344 2.772 1.00 0.00 O ATOM 0 H SER A 3 3.954 -20.474 5.522 1.00 0.00 H new ATOM 0 HA SER A 3 4.384 -21.195 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.621 -22.743 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.168 -23.627 4.319 1.00 0.00 H new ATOM 0 HG SER A 3 5.963 -24.188 2.958 1.00 0.00 H new ATOM 30 N GLY A 4 2.018 -21.998 2.669 1.00 0.00 N ATOM 31 CA GLY A 4 0.584 -22.220 2.604 1.00 0.00 C ATOM 32 C GLY A 4 -0.161 -20.915 2.314 1.00 0.00 C ATOM 33 O GLY A 4 -0.018 -20.342 1.235 1.00 0.00 O ATOM 0 H GLY A 4 2.497 -22.035 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.361 -22.951 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.234 -22.641 3.547 1.00 0.00 H new ATOM 37 N SER A 5 -0.938 -20.484 3.296 1.00 0.00 N ATOM 38 CA SER A 5 -1.705 -19.257 3.160 1.00 0.00 C ATOM 39 C SER A 5 -2.750 -19.414 2.054 1.00 0.00 C ATOM 40 O SER A 5 -2.431 -19.296 0.872 1.00 0.00 O ATOM 41 CB SER A 5 -0.791 -18.067 2.863 1.00 0.00 C ATOM 42 OG SER A 5 -1.282 -16.860 3.440 1.00 0.00 O ATOM 0 H SER A 5 -1.053 -20.962 4.190 1.00 0.00 H new ATOM 0 HA SER A 5 -2.212 -19.063 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.208 -18.272 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.698 -17.942 1.784 1.00 0.00 H new ATOM 0 HG SER A 5 -0.764 -16.101 3.100 1.00 0.00 H new ATOM 48 N SER A 6 -3.978 -19.676 2.476 1.00 0.00 N ATOM 49 CA SER A 6 -5.072 -19.850 1.536 1.00 0.00 C ATOM 50 C SER A 6 -5.149 -18.647 0.594 1.00 0.00 C ATOM 51 O SER A 6 -4.945 -18.784 -0.611 1.00 0.00 O ATOM 52 CB SER A 6 -6.403 -20.036 2.268 1.00 0.00 C ATOM 53 OG SER A 6 -7.228 -21.010 1.635 1.00 0.00 O ATOM 0 H SER A 6 -4.240 -19.772 3.457 1.00 0.00 H new ATOM 0 HA SER A 6 -4.880 -20.750 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.211 -20.337 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.931 -19.083 2.307 1.00 0.00 H new ATOM 0 HG SER A 6 -8.067 -21.101 2.133 1.00 0.00 H new ATOM 59 N GLY A 7 -5.442 -17.495 1.180 1.00 0.00 N ATOM 60 CA GLY A 7 -5.548 -16.268 0.408 1.00 0.00 C ATOM 61 C GLY A 7 -6.078 -15.121 1.270 1.00 0.00 C ATOM 62 O GLY A 7 -7.223 -15.154 1.718 1.00 0.00 O ATOM 0 H GLY A 7 -5.609 -17.385 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.571 -16.003 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.212 -16.425 -0.442 1.00 0.00 H new ATOM 66 N GLU A 8 -5.219 -14.134 1.478 1.00 0.00 N ATOM 67 CA GLU A 8 -5.586 -12.979 2.279 1.00 0.00 C ATOM 68 C GLU A 8 -5.699 -11.735 1.396 1.00 0.00 C ATOM 69 O GLU A 8 -4.692 -11.213 0.921 1.00 0.00 O ATOM 70 CB GLU A 8 -4.583 -12.757 3.413 1.00 0.00 C ATOM 71 CG GLU A 8 -5.088 -13.372 4.720 1.00 0.00 C ATOM 72 CD GLU A 8 -6.068 -12.433 5.425 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.610 -11.351 5.853 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.254 -12.817 5.521 1.00 0.00 O ATOM 0 H GLU A 8 -4.270 -14.110 1.106 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.559 -13.169 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.623 -13.199 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.415 -11.689 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.576 -14.324 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.244 -13.583 5.377 1.00 0.00 H new ATOM 81 N GLN A 9 -6.934 -11.296 1.203 1.00 0.00 N ATOM 82 CA GLN A 9 -7.192 -10.123 0.385 1.00 0.00 C ATOM 83 C GLN A 9 -7.293 -8.874 1.264 1.00 0.00 C ATOM 84 O GLN A 9 -7.723 -8.953 2.414 1.00 0.00 O ATOM 85 CB GLN A 9 -8.459 -10.306 -0.453 1.00 0.00 C ATOM 86 CG GLN A 9 -8.409 -11.616 -1.243 1.00 0.00 C ATOM 87 CD GLN A 9 -9.812 -12.198 -1.429 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.767 -11.803 -0.781 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.882 -13.155 -2.350 1.00 0.00 N ATOM 0 H GLN A 9 -7.767 -11.731 1.599 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.356 -9.994 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.333 -10.303 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.570 -9.467 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.952 -11.440 -2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.779 -12.336 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.043 -13.438 -2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.775 -13.606 -2.550 1.00 0.00 H new ATOM 98 N MET A 10 -6.888 -7.751 0.690 1.00 0.00 N ATOM 99 CA MET A 10 -6.927 -6.488 1.407 1.00 0.00 C ATOM 100 C MET A 10 -6.957 -5.306 0.435 1.00 0.00 C ATOM 101 O MET A 10 -6.179 -5.261 -0.517 1.00 0.00 O ATOM 102 CB MET A 10 -5.697 -6.375 2.310 1.00 0.00 C ATOM 103 CG MET A 10 -5.651 -5.013 3.005 1.00 0.00 C ATOM 104 SD MET A 10 -5.176 -5.216 4.714 1.00 0.00 S ATOM 105 CE MET A 10 -5.252 -3.518 5.260 1.00 0.00 C ATOM 0 H MET A 10 -6.531 -7.689 -0.264 1.00 0.00 H new ATOM 0 HA MET A 10 -7.835 -6.462 2.010 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.716 -7.168 3.057 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.793 -6.516 1.718 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.942 -4.360 2.497 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.627 -4.532 2.945 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.275 -3.212 5.635 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.536 -2.879 4.424 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.992 -3.424 6.055 1.00 0.00 H new ATOM 115 N GLU A 11 -7.863 -4.379 0.708 1.00 0.00 N ATOM 116 CA GLU A 11 -8.004 -3.201 -0.130 1.00 0.00 C ATOM 117 C GLU A 11 -8.513 -2.019 0.697 1.00 0.00 C ATOM 118 O GLU A 11 -9.467 -2.157 1.461 1.00 0.00 O ATOM 119 CB GLU A 11 -8.929 -3.479 -1.316 1.00 0.00 C ATOM 120 CG GLU A 11 -10.186 -4.228 -0.867 1.00 0.00 C ATOM 121 CD GLU A 11 -9.866 -5.687 -0.535 1.00 0.00 C ATOM 122 OE1 GLU A 11 -9.274 -6.352 -1.412 1.00 0.00 O ATOM 123 OE2 GLU A 11 -10.220 -6.104 0.589 1.00 0.00 O ATOM 0 H GLU A 11 -8.507 -4.420 1.498 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.023 -2.944 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.211 -2.539 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.399 -4.067 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.613 -3.737 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.939 -4.187 -1.654 1.00 0.00 H new ATOM 130 N GLY A 12 -7.855 -0.884 0.516 1.00 0.00 N ATOM 131 CA GLY A 12 -8.229 0.322 1.236 1.00 0.00 C ATOM 132 C GLY A 12 -7.464 1.536 0.707 1.00 0.00 C ATOM 133 O GLY A 12 -6.595 1.401 -0.153 1.00 0.00 O ATOM 0 H GLY A 12 -7.065 -0.773 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.301 0.492 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.024 0.194 2.299 1.00 0.00 H new ATOM 137 N MET A 13 -7.815 2.696 1.243 1.00 0.00 N ATOM 138 CA MET A 13 -7.172 3.934 0.836 1.00 0.00 C ATOM 139 C MET A 13 -5.786 4.066 1.470 1.00 0.00 C ATOM 140 O MET A 13 -5.658 4.087 2.693 1.00 0.00 O ATOM 141 CB MET A 13 -8.041 5.122 1.255 1.00 0.00 C ATOM 142 CG MET A 13 -8.844 5.659 0.068 1.00 0.00 C ATOM 143 SD MET A 13 -7.846 6.795 -0.881 1.00 0.00 S ATOM 144 CE MET A 13 -8.006 6.067 -2.503 1.00 0.00 C ATOM 0 H MET A 13 -8.537 2.805 1.956 1.00 0.00 H new ATOM 0 HA MET A 13 -7.055 3.922 -0.248 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.721 4.817 2.051 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.411 5.913 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.170 4.833 -0.564 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.743 6.162 0.424 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.015 5.883 -2.919 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.548 5.124 -2.427 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.552 6.748 -3.155 1.00 0.00 H new ATOM 154 N LEU A 14 -4.783 4.152 0.608 1.00 0.00 N ATOM 155 CA LEU A 14 -3.411 4.281 1.069 1.00 0.00 C ATOM 156 C LEU A 14 -2.680 5.307 0.199 1.00 0.00 C ATOM 157 O LEU A 14 -3.046 5.520 -0.956 1.00 0.00 O ATOM 158 CB LEU A 14 -2.728 2.913 1.110 1.00 0.00 C ATOM 159 CG LEU A 14 -2.500 2.319 2.502 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.783 2.365 3.335 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.929 0.903 2.407 1.00 0.00 C ATOM 0 H LEU A 14 -4.893 4.135 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.387 4.654 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.329 2.211 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.763 2.995 0.609 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.760 2.931 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.593 1.937 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.108 3.400 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.563 1.791 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.776 0.504 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.627 0.265 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.976 0.930 1.878 1.00 0.00 H new ATOM 173 N CYS A 15 -1.660 5.915 0.787 1.00 0.00 N ATOM 174 CA CYS A 15 -0.875 6.912 0.080 1.00 0.00 C ATOM 175 C CYS A 15 0.346 6.220 -0.528 1.00 0.00 C ATOM 176 O CYS A 15 1.357 6.030 0.148 1.00 0.00 O ATOM 177 CB CYS A 15 -0.477 8.072 0.996 1.00 0.00 C ATOM 178 SG CYS A 15 -0.734 9.666 0.135 1.00 0.00 S ATOM 0 H CYS A 15 -1.359 5.736 1.745 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.475 7.353 -0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.069 8.044 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.568 7.972 1.290 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.395 10.644 0.922 1.00 0.00 H new ATOM 184 N ARG A 16 0.213 5.862 -1.797 1.00 0.00 N ATOM 185 CA ARG A 16 1.294 5.195 -2.503 1.00 0.00 C ATOM 186 C ARG A 16 2.220 6.226 -3.151 1.00 0.00 C ATOM 187 O ARG A 16 1.783 7.025 -3.978 1.00 0.00 O ATOM 188 CB ARG A 16 0.750 4.258 -3.583 1.00 0.00 C ATOM 189 CG ARG A 16 1.883 3.486 -4.262 1.00 0.00 C ATOM 190 CD ARG A 16 1.674 3.423 -5.776 1.00 0.00 C ATOM 191 NE ARG A 16 1.950 4.744 -6.381 1.00 0.00 N ATOM 192 CZ ARG A 16 1.470 5.143 -7.567 1.00 0.00 C ATOM 193 NH1 ARG A 16 0.686 4.325 -8.281 1.00 0.00 N ATOM 194 NH2 ARG A 16 1.773 6.360 -8.038 1.00 0.00 N ATOM 0 H ARG A 16 -0.626 6.021 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 16 1.853 4.607 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.043 3.557 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.202 4.835 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.837 3.966 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.934 2.476 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.332 2.670 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.651 3.119 -5.998 1.00 0.00 H new ATOM 0 HE ARG A 16 2.543 5.392 -5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.454 3.399 -7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.320 4.628 -9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.369 6.983 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.407 6.663 -8.941 1.00 0.00 H new ATOM 208 N LYS A 17 3.482 6.175 -2.751 1.00 0.00 N ATOM 209 CA LYS A 17 4.474 7.094 -3.283 1.00 0.00 C ATOM 210 C LYS A 17 5.638 6.296 -3.873 1.00 0.00 C ATOM 211 O LYS A 17 6.538 5.875 -3.148 1.00 0.00 O ATOM 212 CB LYS A 17 4.899 8.101 -2.213 1.00 0.00 C ATOM 213 CG LYS A 17 5.848 9.151 -2.794 1.00 0.00 C ATOM 214 CD LYS A 17 6.945 9.514 -1.791 1.00 0.00 C ATOM 215 CE LYS A 17 7.961 10.474 -2.413 1.00 0.00 C ATOM 216 NZ LYS A 17 7.915 11.789 -1.735 1.00 0.00 N ATOM 0 H LYS A 17 3.841 5.511 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 17 4.049 7.685 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.018 8.591 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.388 7.579 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.300 8.771 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.286 10.045 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.499 9.973 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.452 8.608 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.963 10.053 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.750 10.598 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.958 12.547 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.030 11.870 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.725 11.875 -1.088 1.00 0.00 H new ATOM 230 N GLN A 18 5.583 6.112 -5.184 1.00 0.00 N ATOM 231 CA GLN A 18 6.622 5.372 -5.880 1.00 0.00 C ATOM 232 C GLN A 18 7.969 6.083 -5.735 1.00 0.00 C ATOM 233 O GLN A 18 8.179 7.147 -6.316 1.00 0.00 O ATOM 234 CB GLN A 18 6.262 5.177 -7.355 1.00 0.00 C ATOM 235 CG GLN A 18 7.355 4.397 -8.087 1.00 0.00 C ATOM 236 CD GLN A 18 6.811 3.760 -9.368 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.698 4.018 -9.795 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.655 2.915 -9.953 1.00 0.00 N ATOM 0 H GLN A 18 4.835 6.463 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 18 6.703 4.385 -5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.315 4.644 -7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.122 6.148 -7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.181 5.065 -8.331 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.754 3.622 -7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.573 2.744 -9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.385 2.438 -10.813 1.00 0.00 H new ATOM 247 N GLU A 19 8.846 5.467 -4.955 1.00 0.00 N ATOM 248 CA GLU A 19 10.166 6.028 -4.726 1.00 0.00 C ATOM 249 C GLU A 19 11.177 5.424 -5.703 1.00 0.00 C ATOM 250 O GLU A 19 11.785 6.142 -6.495 1.00 0.00 O ATOM 251 CB GLU A 19 10.609 5.813 -3.277 1.00 0.00 C ATOM 252 CG GLU A 19 9.712 6.587 -2.309 1.00 0.00 C ATOM 253 CD GLU A 19 10.238 8.007 -2.091 1.00 0.00 C ATOM 254 OE1 GLU A 19 10.875 8.528 -3.032 1.00 0.00 O ATOM 255 OE2 GLU A 19 9.991 8.540 -0.987 1.00 0.00 O ATOM 0 H GLU A 19 8.668 4.585 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 19 10.118 7.103 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.577 4.750 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.643 6.136 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.696 6.628 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.663 6.063 -1.355 1.00 0.00 H new ATOM 262 N MET A 20 11.324 4.110 -5.615 1.00 0.00 N ATOM 263 CA MET A 20 12.251 3.402 -6.482 1.00 0.00 C ATOM 264 C MET A 20 11.502 2.637 -7.575 1.00 0.00 C ATOM 265 O MET A 20 10.559 1.901 -7.289 1.00 0.00 O ATOM 266 CB MET A 20 13.081 2.422 -5.650 1.00 0.00 C ATOM 267 CG MET A 20 13.789 3.142 -4.501 1.00 0.00 C ATOM 268 SD MET A 20 15.474 2.569 -4.366 1.00 0.00 S ATOM 269 CE MET A 20 16.108 3.099 -5.948 1.00 0.00 C ATOM 0 H MET A 20 10.817 3.518 -4.957 1.00 0.00 H new ATOM 0 HA MET A 20 12.905 4.132 -6.958 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.435 1.640 -5.251 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.818 1.932 -6.286 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.775 4.218 -4.672 1.00 0.00 H new ATOM 0 HG3 MET A 20 13.259 2.961 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.196 3.150 -5.905 1.00 0.00 H new ATOM 0 HE2 MET A 20 15.808 2.387 -6.717 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.708 4.084 -6.189 1.00 0.00 H new ATOM 279 N GLU A 21 11.951 2.836 -8.806 1.00 0.00 N ATOM 280 CA GLU A 21 11.336 2.174 -9.944 1.00 0.00 C ATOM 281 C GLU A 21 12.148 0.941 -10.343 1.00 0.00 C ATOM 282 O GLU A 21 11.698 0.133 -11.154 1.00 0.00 O ATOM 283 CB GLU A 21 11.185 3.137 -11.123 1.00 0.00 C ATOM 284 CG GLU A 21 10.780 2.389 -12.394 1.00 0.00 C ATOM 285 CD GLU A 21 9.985 3.296 -13.335 1.00 0.00 C ATOM 286 OE1 GLU A 21 10.453 4.434 -13.556 1.00 0.00 O ATOM 287 OE2 GLU A 21 8.928 2.832 -13.813 1.00 0.00 O ATOM 0 H GLU A 21 12.734 3.447 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 21 10.337 1.848 -9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.435 3.892 -10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.125 3.663 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.671 2.022 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.181 1.517 -12.132 1.00 0.00 H new ATOM 294 N ALA A 22 13.330 0.835 -9.755 1.00 0.00 N ATOM 295 CA ALA A 22 14.210 -0.287 -10.040 1.00 0.00 C ATOM 296 C ALA A 22 15.468 -0.175 -9.176 1.00 0.00 C ATOM 297 O ALA A 22 15.729 0.872 -8.586 1.00 0.00 O ATOM 298 CB ALA A 22 14.530 -0.318 -11.536 1.00 0.00 C ATOM 0 H ALA A 22 13.700 1.507 -9.083 1.00 0.00 H new ATOM 0 HA ALA A 22 13.723 -1.230 -9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.190 -1.159 -11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.606 -0.428 -12.104 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.023 0.611 -11.822 1.00 0.00 H new ATOM 304 N PHE A 23 16.214 -1.269 -9.129 1.00 0.00 N ATOM 305 CA PHE A 23 17.438 -1.307 -8.348 1.00 0.00 C ATOM 306 C PHE A 23 18.249 -0.024 -8.537 1.00 0.00 C ATOM 307 O PHE A 23 18.596 0.335 -9.662 1.00 0.00 O ATOM 308 CB PHE A 23 18.257 -2.494 -8.857 1.00 0.00 C ATOM 309 CG PHE A 23 17.533 -3.838 -8.757 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.197 -4.341 -7.539 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.225 -4.531 -9.887 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.525 -5.589 -7.446 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.553 -5.778 -9.794 1.00 0.00 C ATOM 314 CZ PHE A 23 16.217 -6.281 -8.576 1.00 0.00 C ATOM 0 H PHE A 23 15.994 -2.136 -9.619 1.00 0.00 H new ATOM 0 HA PHE A 23 17.200 -1.402 -7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.528 -2.316 -9.898 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.186 -2.551 -8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.441 -3.791 -6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.492 -4.132 -10.855 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.259 -5.988 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.308 -6.328 -10.691 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.706 -7.230 -8.506 1.00 0.00 H new ATOM 324 N GLY A 24 18.529 0.632 -7.421 1.00 0.00 N ATOM 325 CA GLY A 24 19.293 1.868 -7.450 1.00 0.00 C ATOM 326 C GLY A 24 18.745 2.827 -8.509 1.00 0.00 C ATOM 327 O GLY A 24 19.483 3.651 -9.046 1.00 0.00 O ATOM 0 H GLY A 24 18.240 0.331 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.258 2.344 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.340 1.648 -7.660 1.00 0.00 H new ATOM 331 N LYS A 25 17.455 2.687 -8.776 1.00 0.00 N ATOM 332 CA LYS A 25 16.799 3.531 -9.761 1.00 0.00 C ATOM 333 C LYS A 25 15.763 4.413 -9.062 1.00 0.00 C ATOM 334 O LYS A 25 14.897 3.911 -8.347 1.00 0.00 O ATOM 335 CB LYS A 25 16.220 2.681 -10.894 1.00 0.00 C ATOM 336 CG LYS A 25 16.455 3.345 -12.253 1.00 0.00 C ATOM 337 CD LYS A 25 15.144 3.868 -12.841 1.00 0.00 C ATOM 338 CE LYS A 25 14.763 5.214 -12.221 1.00 0.00 C ATOM 339 NZ LYS A 25 13.915 5.992 -13.151 1.00 0.00 N ATOM 0 H LYS A 25 16.846 2.002 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 25 17.520 4.199 -10.232 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.680 1.693 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.151 2.537 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.162 4.167 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.905 2.628 -12.939 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.243 3.976 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.348 3.144 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.231 5.052 -11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.664 5.779 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.527 6.821 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.487 6.308 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.134 5.395 -13.491 1.00 0.00 H new ATOM 353 N LYS A 26 15.885 5.711 -9.293 1.00 0.00 N ATOM 354 CA LYS A 26 14.970 6.668 -8.695 1.00 0.00 C ATOM 355 C LYS A 26 13.734 6.810 -9.585 1.00 0.00 C ATOM 356 O LYS A 26 13.848 7.153 -10.761 1.00 0.00 O ATOM 357 CB LYS A 26 15.684 7.992 -8.417 1.00 0.00 C ATOM 358 CG LYS A 26 15.784 8.838 -9.689 1.00 0.00 C ATOM 359 CD LYS A 26 16.721 10.030 -9.482 1.00 0.00 C ATOM 360 CE LYS A 26 16.795 10.894 -10.742 1.00 0.00 C ATOM 361 NZ LYS A 26 16.495 12.307 -10.420 1.00 0.00 N ATOM 0 H LYS A 26 16.605 6.123 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 26 14.625 6.310 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.145 8.546 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.683 7.796 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.149 8.223 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.793 9.194 -9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.370 10.632 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.718 9.673 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.789 10.819 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.087 10.526 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.550 12.880 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.538 12.376 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.186 12.660 -9.728 1.00 0.00 H new ATOM 375 N ALA A 27 12.581 6.541 -8.990 1.00 0.00 N ATOM 376 CA ALA A 27 11.325 6.635 -9.715 1.00 0.00 C ATOM 377 C ALA A 27 11.215 8.018 -10.358 1.00 0.00 C ATOM 378 O ALA A 27 12.163 8.802 -10.321 1.00 0.00 O ATOM 379 CB ALA A 27 10.164 6.339 -8.764 1.00 0.00 C ATOM 0 H ALA A 27 12.490 6.258 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 27 11.287 5.896 -10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.222 6.409 -9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.274 5.334 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.168 7.063 -7.949 1.00 0.00 H new ATOM 385 N ALA A 28 10.049 8.277 -10.933 1.00 0.00 N ATOM 386 CA ALA A 28 9.803 9.553 -11.583 1.00 0.00 C ATOM 387 C ALA A 28 8.822 10.370 -10.739 1.00 0.00 C ATOM 388 O ALA A 28 9.221 11.311 -10.055 1.00 0.00 O ATOM 389 CB ALA A 28 9.288 9.311 -13.004 1.00 0.00 C ATOM 0 H ALA A 28 9.265 7.625 -10.962 1.00 0.00 H new ATOM 0 HA ALA A 28 10.726 10.127 -11.664 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.103 10.268 -13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.033 8.752 -13.571 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.360 8.740 -12.963 1.00 0.00 H new ATOM 395 N ASN A 29 7.558 9.980 -10.815 1.00 0.00 N ATOM 396 CA ASN A 29 6.518 10.664 -10.066 1.00 0.00 C ATOM 397 C ASN A 29 7.053 11.037 -8.682 1.00 0.00 C ATOM 398 O ASN A 29 7.226 12.215 -8.376 1.00 0.00 O ATOM 399 CB ASN A 29 5.295 9.765 -9.875 1.00 0.00 C ATOM 400 CG ASN A 29 4.011 10.594 -9.801 1.00 0.00 C ATOM 401 OD1 ASN A 29 3.999 11.790 -10.038 1.00 0.00 O ATOM 402 ND2 ASN A 29 2.934 9.893 -9.460 1.00 0.00 N ATOM 0 H ASN A 29 7.231 9.199 -11.384 1.00 0.00 H new ATOM 0 HA ASN A 29 6.228 11.553 -10.627 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.228 9.057 -10.701 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.408 9.181 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.028 10.355 -9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.014 8.893 -9.275 1.00 0.00 H new ATOM 409 N ARG A 30 7.299 10.010 -7.882 1.00 0.00 N ATOM 410 CA ARG A 30 7.811 10.214 -6.538 1.00 0.00 C ATOM 411 C ARG A 30 7.004 11.299 -5.822 1.00 0.00 C ATOM 412 O ARG A 30 7.560 12.095 -5.067 1.00 0.00 O ATOM 413 CB ARG A 30 9.286 10.620 -6.565 1.00 0.00 C ATOM 414 CG ARG A 30 10.136 9.550 -7.253 1.00 0.00 C ATOM 415 CD ARG A 30 11.574 10.034 -7.447 1.00 0.00 C ATOM 416 NE ARG A 30 11.618 11.085 -8.489 1.00 0.00 N ATOM 417 CZ ARG A 30 12.601 11.989 -8.603 1.00 0.00 C ATOM 418 NH1 ARG A 30 13.627 11.976 -7.741 1.00 0.00 N ATOM 419 NH2 ARG A 30 12.558 12.906 -9.579 1.00 0.00 N ATOM 0 H ARG A 30 7.153 9.034 -8.139 1.00 0.00 H new ATOM 0 HA ARG A 30 7.716 9.270 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.396 11.570 -7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.643 10.774 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.133 8.638 -6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.699 9.299 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.965 10.425 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.212 9.198 -7.734 1.00 0.00 H new ATOM 0 HE ARG A 30 10.853 11.123 -9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.660 11.278 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.375 12.664 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.777 12.916 -10.235 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.306 13.594 -9.666 1.00 0.00 H new ATOM 433 N SER A 31 5.705 11.296 -6.085 1.00 0.00 N ATOM 434 CA SER A 31 4.816 12.270 -5.475 1.00 0.00 C ATOM 435 C SER A 31 3.743 11.555 -4.651 1.00 0.00 C ATOM 436 O SER A 31 3.158 10.574 -5.105 1.00 0.00 O ATOM 437 CB SER A 31 4.164 13.160 -6.536 1.00 0.00 C ATOM 438 OG SER A 31 4.552 12.790 -7.856 1.00 0.00 O ATOM 0 H SER A 31 5.247 10.635 -6.712 1.00 0.00 H new ATOM 0 HA SER A 31 5.406 12.907 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.080 13.096 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.438 14.199 -6.356 1.00 0.00 H new ATOM 0 HG SER A 31 3.752 12.642 -8.403 1.00 0.00 H new ATOM 444 N TRP A 32 3.519 12.076 -3.453 1.00 0.00 N ATOM 445 CA TRP A 32 2.527 11.500 -2.561 1.00 0.00 C ATOM 446 C TRP A 32 1.151 11.680 -3.204 1.00 0.00 C ATOM 447 O TRP A 32 0.753 12.799 -3.525 1.00 0.00 O ATOM 448 CB TRP A 32 2.620 12.119 -1.165 1.00 0.00 C ATOM 449 CG TRP A 32 3.787 11.593 -0.327 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.960 12.192 -0.078 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.846 10.329 0.367 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.767 11.410 0.722 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.069 10.241 1.001 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.899 9.295 0.455 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.456 9.136 1.768 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.301 8.197 1.226 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.528 8.093 1.871 1.00 0.00 C ATOM 0 H TRP A 32 4.007 12.890 -3.080 1.00 0.00 H new ATOM 0 HA TRP A 32 2.708 10.434 -2.420 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.716 13.200 -1.264 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.689 11.929 -0.632 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.238 13.165 -0.456 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.704 11.646 1.049 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.937 9.343 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.419 9.090 2.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.609 7.374 1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.764 7.212 2.449 1.00 0.00 H new ATOM 468 N GLN A 33 0.461 10.561 -3.374 1.00 0.00 N ATOM 469 CA GLN A 33 -0.862 10.582 -3.973 1.00 0.00 C ATOM 470 C GLN A 33 -1.735 9.479 -3.371 1.00 0.00 C ATOM 471 O GLN A 33 -1.264 8.366 -3.141 1.00 0.00 O ATOM 472 CB GLN A 33 -0.777 10.444 -5.495 1.00 0.00 C ATOM 473 CG GLN A 33 -0.528 11.801 -6.155 1.00 0.00 C ATOM 474 CD GLN A 33 -1.080 11.826 -7.582 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.071 12.472 -7.881 1.00 0.00 O ATOM 476 NE2 GLN A 33 -0.386 11.088 -8.444 1.00 0.00 N ATOM 0 H GLN A 33 0.794 9.634 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.324 11.545 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.026 9.755 -5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.703 10.014 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.998 12.588 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.541 12.011 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.435 10.571 -8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.674 11.039 -9.421 1.00 0.00 H new ATOM 485 N ASN A 34 -2.991 9.826 -3.132 1.00 0.00 N ATOM 486 CA ASN A 34 -3.934 8.880 -2.560 1.00 0.00 C ATOM 487 C ASN A 34 -4.269 7.809 -3.601 1.00 0.00 C ATOM 488 O ASN A 34 -5.034 8.060 -4.530 1.00 0.00 O ATOM 489 CB ASN A 34 -5.237 9.574 -2.160 1.00 0.00 C ATOM 490 CG ASN A 34 -5.039 10.432 -0.909 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.158 11.273 -0.834 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.906 10.175 0.066 1.00 0.00 N ATOM 0 H ASN A 34 -3.378 10.750 -3.324 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.475 8.439 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.588 10.198 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.009 8.827 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.858 10.696 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.619 9.457 -0.062 1.00 0.00 H new ATOM 499 N VAL A 35 -3.679 6.638 -3.409 1.00 0.00 N ATOM 500 CA VAL A 35 -3.905 5.528 -4.319 1.00 0.00 C ATOM 501 C VAL A 35 -4.517 4.358 -3.547 1.00 0.00 C ATOM 502 O VAL A 35 -3.934 3.877 -2.576 1.00 0.00 O ATOM 503 CB VAL A 35 -2.601 5.159 -5.029 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.850 4.133 -6.136 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.907 6.405 -5.582 1.00 0.00 C ATOM 0 H VAL A 35 -3.045 6.434 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.614 5.811 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.937 4.704 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.907 3.888 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.280 3.229 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.541 4.549 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.983 6.115 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.565 6.902 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.678 7.088 -4.764 1.00 0.00 H new ATOM 515 N TYR A 36 -5.685 3.933 -4.007 1.00 0.00 N ATOM 516 CA TYR A 36 -6.382 2.828 -3.371 1.00 0.00 C ATOM 517 C TYR A 36 -5.678 1.499 -3.655 1.00 0.00 C ATOM 518 O TYR A 36 -5.688 1.017 -4.787 1.00 0.00 O ATOM 519 CB TYR A 36 -7.778 2.795 -3.996 1.00 0.00 C ATOM 520 CG TYR A 36 -8.800 1.986 -3.195 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.054 2.307 -1.876 1.00 0.00 C ATOM 522 CD2 TYR A 36 -9.467 0.935 -3.790 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.015 1.546 -1.122 1.00 0.00 C ATOM 524 CE2 TYR A 36 -10.429 0.173 -3.035 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.655 0.516 -1.739 1.00 0.00 C ATOM 526 OH TYR A 36 -11.564 -0.203 -1.026 1.00 0.00 O ATOM 0 H TYR A 36 -6.166 4.334 -4.812 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.410 2.964 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.142 3.817 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.705 2.377 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.531 3.129 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.268 0.684 -4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.223 1.787 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.959 -0.652 -3.488 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.943 -0.906 -1.594 1.00 0.00 H new ATOM 536 N CYS A 37 -5.084 0.946 -2.608 1.00 0.00 N ATOM 537 CA CYS A 37 -4.376 -0.318 -2.731 1.00 0.00 C ATOM 538 C CYS A 37 -5.410 -1.444 -2.786 1.00 0.00 C ATOM 539 O CYS A 37 -6.301 -1.516 -1.940 1.00 0.00 O ATOM 540 CB CYS A 37 -3.375 -0.518 -1.592 1.00 0.00 C ATOM 541 SG CYS A 37 -1.665 -0.409 -2.236 1.00 0.00 S ATOM 0 H CYS A 37 -5.078 1.349 -1.671 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.788 -0.321 -3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.531 0.238 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.535 -1.489 -1.123 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.043 0.572 -1.652 1.00 0.00 H new ATOM 547 N VAL A 38 -5.258 -2.295 -3.790 1.00 0.00 N ATOM 548 CA VAL A 38 -6.168 -3.414 -3.966 1.00 0.00 C ATOM 549 C VAL A 38 -5.359 -4.703 -4.125 1.00 0.00 C ATOM 550 O VAL A 38 -4.761 -4.940 -5.174 1.00 0.00 O ATOM 551 CB VAL A 38 -7.104 -3.147 -5.147 1.00 0.00 C ATOM 552 CG1 VAL A 38 -8.002 -4.355 -5.419 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.937 -1.886 -4.911 1.00 0.00 C ATOM 0 H VAL A 38 -4.519 -2.232 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.801 -3.533 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.489 -2.982 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.657 -4.139 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.384 -5.222 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.605 -4.566 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.594 -1.719 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.538 -2.010 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.274 -1.029 -4.790 1.00 0.00 H new ATOM 563 N LEU A 39 -5.366 -5.502 -3.068 1.00 0.00 N ATOM 564 CA LEU A 39 -4.640 -6.761 -3.077 1.00 0.00 C ATOM 565 C LEU A 39 -5.607 -7.900 -3.406 1.00 0.00 C ATOM 566 O LEU A 39 -6.716 -7.949 -2.877 1.00 0.00 O ATOM 567 CB LEU A 39 -3.887 -6.955 -1.759 1.00 0.00 C ATOM 568 CG LEU A 39 -2.983 -8.186 -1.678 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.507 -7.783 -1.674 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.343 -9.053 -0.470 1.00 0.00 C ATOM 0 H LEU A 39 -5.863 -5.302 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.877 -6.755 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.278 -6.069 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.617 -7.011 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.150 -8.791 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.886 -8.677 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.276 -7.240 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.306 -7.145 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.685 -9.921 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.223 -8.471 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.378 -9.385 -0.556 1.00 0.00 H new ATOM 582 N ARG A 40 -5.151 -8.788 -4.277 1.00 0.00 N ATOM 583 CA ARG A 40 -5.961 -9.923 -4.683 1.00 0.00 C ATOM 584 C ARG A 40 -5.158 -10.849 -5.599 1.00 0.00 C ATOM 585 O ARG A 40 -4.376 -10.384 -6.426 1.00 0.00 O ATOM 586 CB ARG A 40 -7.225 -9.464 -5.415 1.00 0.00 C ATOM 587 CG ARG A 40 -8.455 -10.224 -4.914 1.00 0.00 C ATOM 588 CD ARG A 40 -9.508 -9.260 -4.365 1.00 0.00 C ATOM 589 NE ARG A 40 -10.750 -9.998 -4.042 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.562 -10.540 -4.960 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.268 -10.430 -6.263 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.667 -11.192 -4.575 1.00 0.00 N ATOM 0 H ARG A 40 -4.230 -8.744 -4.713 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.252 -10.462 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.368 -8.394 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.107 -9.623 -6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.882 -10.809 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.160 -10.928 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.128 -8.763 -3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.718 -8.481 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.004 -10.100 -3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.426 -9.934 -6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.886 -10.843 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.890 -11.276 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.285 -11.605 -5.274 1.00 0.00 H new ATOM 606 N ARG A 41 -5.379 -12.143 -5.419 1.00 0.00 N ATOM 607 CA ARG A 41 -4.685 -13.138 -6.219 1.00 0.00 C ATOM 608 C ARG A 41 -3.173 -13.020 -6.018 1.00 0.00 C ATOM 609 O ARG A 41 -2.395 -13.579 -6.790 1.00 0.00 O ATOM 610 CB ARG A 41 -5.009 -12.975 -7.705 1.00 0.00 C ATOM 611 CG ARG A 41 -5.471 -14.300 -8.315 1.00 0.00 C ATOM 612 CD ARG A 41 -5.794 -14.137 -9.801 1.00 0.00 C ATOM 613 NE ARG A 41 -6.829 -15.115 -10.205 1.00 0.00 N ATOM 614 CZ ARG A 41 -7.292 -15.246 -11.455 1.00 0.00 C ATOM 615 NH1 ARG A 41 -6.817 -14.461 -12.431 1.00 0.00 N ATOM 616 NH2 ARG A 41 -8.232 -16.161 -11.729 1.00 0.00 N ATOM 0 H ARG A 41 -6.028 -12.525 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.023 -14.121 -5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.787 -12.222 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.128 -12.614 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.693 -15.053 -8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.353 -14.660 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.144 -13.123 -9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.892 -14.283 -10.396 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.214 -15.728 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.103 -13.763 -12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.170 -14.561 -13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.595 -16.758 -10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.585 -16.261 -12.681 1.00 0.00 H new ATOM 630 N GLY A 42 -2.801 -12.289 -4.978 1.00 0.00 N ATOM 631 CA GLY A 42 -1.396 -12.091 -4.666 1.00 0.00 C ATOM 632 C GLY A 42 -0.801 -10.962 -5.510 1.00 0.00 C ATOM 633 O GLY A 42 0.386 -10.981 -5.831 1.00 0.00 O ATOM 0 H GLY A 42 -3.449 -11.826 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.284 -11.856 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.846 -13.014 -4.847 1.00 0.00 H new ATOM 637 N SER A 43 -1.654 -10.005 -5.845 1.00 0.00 N ATOM 638 CA SER A 43 -1.227 -8.869 -6.646 1.00 0.00 C ATOM 639 C SER A 43 -1.774 -7.572 -6.047 1.00 0.00 C ATOM 640 O SER A 43 -2.951 -7.492 -5.701 1.00 0.00 O ATOM 641 CB SER A 43 -1.684 -9.017 -8.098 1.00 0.00 C ATOM 642 OG SER A 43 -1.760 -10.383 -8.497 1.00 0.00 O ATOM 0 H SER A 43 -2.638 -9.992 -5.577 1.00 0.00 H new ATOM 0 HA SER A 43 -0.138 -8.834 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.661 -8.549 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.992 -8.486 -8.752 1.00 0.00 H new ATOM 0 HG SER A 43 -2.057 -10.435 -9.429 1.00 0.00 H new ATOM 648 N LEU A 44 -0.892 -6.588 -5.943 1.00 0.00 N ATOM 649 CA LEU A 44 -1.272 -5.298 -5.392 1.00 0.00 C ATOM 650 C LEU A 44 -1.621 -4.343 -6.535 1.00 0.00 C ATOM 651 O LEU A 44 -0.755 -3.974 -7.326 1.00 0.00 O ATOM 652 CB LEU A 44 -0.178 -4.770 -4.462 1.00 0.00 C ATOM 653 CG LEU A 44 -0.506 -3.482 -3.704 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.741 -3.666 -2.820 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.704 -2.993 -2.904 1.00 0.00 C ATOM 0 H LEU A 44 0.084 -6.658 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.164 -5.395 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.058 -5.546 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.723 -4.601 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.744 -2.708 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.953 -2.736 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.596 -3.934 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.555 -4.460 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.444 -2.076 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.997 -3.757 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.534 -2.797 -3.583 1.00 0.00 H new ATOM 667 N GLY A 45 -2.892 -3.971 -6.585 1.00 0.00 N ATOM 668 CA GLY A 45 -3.366 -3.066 -7.618 1.00 0.00 C ATOM 669 C GLY A 45 -3.509 -1.642 -7.076 1.00 0.00 C ATOM 670 O GLY A 45 -3.610 -1.442 -5.867 1.00 0.00 O ATOM 0 H GLY A 45 -3.608 -4.280 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.671 -3.071 -8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.327 -3.413 -7.997 1.00 0.00 H new ATOM 674 N PHE A 46 -3.512 -0.690 -7.998 1.00 0.00 N ATOM 675 CA PHE A 46 -3.641 0.709 -7.628 1.00 0.00 C ATOM 676 C PHE A 46 -4.813 1.365 -8.361 1.00 0.00 C ATOM 677 O PHE A 46 -4.897 1.302 -9.587 1.00 0.00 O ATOM 678 CB PHE A 46 -2.342 1.403 -8.043 1.00 0.00 C ATOM 679 CG PHE A 46 -1.086 0.805 -7.407 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.937 0.817 -6.055 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.118 0.262 -8.193 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.229 0.262 -5.464 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.048 -0.293 -7.602 1.00 0.00 C ATOM 684 CZ PHE A 46 1.196 -0.281 -6.250 1.00 0.00 C ATOM 0 H PHE A 46 -3.427 -0.860 -9.000 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.824 0.795 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.246 1.353 -9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.405 2.458 -7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.706 1.249 -5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.236 0.253 -9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.347 0.271 -4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.817 -0.724 -8.226 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.083 -0.703 -5.801 1.00 0.00 H new ATOM 694 N TYR A 47 -5.689 1.979 -7.580 1.00 0.00 N ATOM 695 CA TYR A 47 -6.853 2.645 -8.140 1.00 0.00 C ATOM 696 C TYR A 47 -7.090 3.996 -7.461 1.00 0.00 C ATOM 697 O TYR A 47 -6.633 4.221 -6.342 1.00 0.00 O ATOM 698 CB TYR A 47 -8.043 1.728 -7.853 1.00 0.00 C ATOM 699 CG TYR A 47 -7.895 0.318 -8.430 1.00 0.00 C ATOM 700 CD1 TYR A 47 -7.003 -0.569 -7.862 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.653 -0.066 -9.517 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.864 -1.896 -8.405 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.514 -1.392 -10.060 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.626 -2.242 -9.477 1.00 0.00 C ATOM 705 OH TYR A 47 -7.494 -3.494 -9.990 1.00 0.00 O ATOM 0 H TYR A 47 -5.616 2.029 -6.564 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.715 2.829 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.181 1.655 -6.774 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.946 2.183 -8.260 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.410 -0.268 -7.011 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.351 0.629 -9.961 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.170 -2.600 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.101 -1.705 -10.911 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.101 -3.601 -10.752 1.00 0.00 H new ATOM 715 N LYS A 48 -7.806 4.859 -8.167 1.00 0.00 N ATOM 716 CA LYS A 48 -8.110 6.181 -7.647 1.00 0.00 C ATOM 717 C LYS A 48 -8.684 6.050 -6.235 1.00 0.00 C ATOM 718 O LYS A 48 -8.095 6.540 -5.273 1.00 0.00 O ATOM 719 CB LYS A 48 -9.021 6.941 -8.613 1.00 0.00 C ATOM 720 CG LYS A 48 -9.227 8.385 -8.152 1.00 0.00 C ATOM 721 CD LYS A 48 -8.265 9.333 -8.871 1.00 0.00 C ATOM 722 CE LYS A 48 -9.026 10.300 -9.781 1.00 0.00 C ATOM 723 NZ LYS A 48 -8.086 11.219 -10.461 1.00 0.00 N ATOM 0 H LYS A 48 -8.184 4.668 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.201 6.777 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.585 6.933 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.985 6.437 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.256 8.689 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.072 8.452 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.688 9.896 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.554 8.756 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.596 9.739 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.744 10.873 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.618 11.869 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.561 11.767 -9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.418 10.668 -11.037 1.00 0.00 H new ATOM 737 N ASP A 49 -9.828 5.384 -6.156 1.00 0.00 N ATOM 738 CA ASP A 49 -10.488 5.182 -4.877 1.00 0.00 C ATOM 739 C ASP A 49 -11.389 3.948 -4.964 1.00 0.00 C ATOM 740 O ASP A 49 -11.408 3.259 -5.982 1.00 0.00 O ATOM 741 CB ASP A 49 -11.364 6.383 -4.514 1.00 0.00 C ATOM 742 CG ASP A 49 -10.597 7.652 -4.136 1.00 0.00 C ATOM 743 OD1 ASP A 49 -9.862 8.153 -5.014 1.00 0.00 O ATOM 744 OD2 ASP A 49 -10.763 8.092 -2.978 1.00 0.00 O ATOM 0 H ASP A 49 -10.314 4.978 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.719 5.054 -4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.014 6.608 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.009 6.105 -3.681 1.00 0.00 H new ATOM 749 N ALA A 50 -12.114 3.708 -3.881 1.00 0.00 N ATOM 750 CA ALA A 50 -13.015 2.569 -3.822 1.00 0.00 C ATOM 751 C ALA A 50 -14.075 2.705 -4.917 1.00 0.00 C ATOM 752 O ALA A 50 -14.768 1.741 -5.239 1.00 0.00 O ATOM 753 CB ALA A 50 -13.630 2.477 -2.424 1.00 0.00 C ATOM 0 H ALA A 50 -12.096 4.282 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.473 1.641 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.306 1.623 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.838 2.352 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.185 3.390 -2.210 1.00 0.00 H new ATOM 759 N LYS A 51 -14.167 3.910 -5.460 1.00 0.00 N ATOM 760 CA LYS A 51 -15.130 4.185 -6.513 1.00 0.00 C ATOM 761 C LYS A 51 -14.576 3.685 -7.849 1.00 0.00 C ATOM 762 O LYS A 51 -15.338 3.355 -8.756 1.00 0.00 O ATOM 763 CB LYS A 51 -15.508 5.667 -6.520 1.00 0.00 C ATOM 764 CG LYS A 51 -16.423 6.006 -5.341 1.00 0.00 C ATOM 765 CD LYS A 51 -15.610 6.244 -4.067 1.00 0.00 C ATOM 766 CE LYS A 51 -16.528 6.420 -2.856 1.00 0.00 C ATOM 767 NZ LYS A 51 -16.320 7.748 -2.237 1.00 0.00 N ATOM 0 H LYS A 51 -13.590 4.707 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.058 3.644 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.605 6.276 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.009 5.914 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.009 6.895 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.130 5.192 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.937 5.403 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.988 7.131 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.569 6.314 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.330 5.636 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.951 7.851 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.331 7.835 -1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.532 8.492 -2.932 1.00 0.00 H new ATOM 781 N ALA A 52 -13.254 3.645 -7.926 1.00 0.00 N ATOM 782 CA ALA A 52 -12.589 3.191 -9.136 1.00 0.00 C ATOM 783 C ALA A 52 -12.231 1.710 -8.991 1.00 0.00 C ATOM 784 O ALA A 52 -11.934 1.040 -9.979 1.00 0.00 O ATOM 785 CB ALA A 52 -11.361 4.064 -9.402 1.00 0.00 C ATOM 0 H ALA A 52 -12.626 3.919 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.251 3.288 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.862 3.724 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.672 5.101 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.673 3.990 -8.560 1.00 0.00 H new ATOM 791 N ALA A 53 -12.273 1.243 -7.752 1.00 0.00 N ATOM 792 CA ALA A 53 -11.957 -0.146 -7.465 1.00 0.00 C ATOM 793 C ALA A 53 -13.173 -1.018 -7.783 1.00 0.00 C ATOM 794 O ALA A 53 -13.028 -2.140 -8.265 1.00 0.00 O ATOM 795 CB ALA A 53 -11.510 -0.278 -6.008 1.00 0.00 C ATOM 0 H ALA A 53 -12.521 1.802 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.133 -0.489 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.273 -1.320 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.626 0.337 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.312 0.055 -5.350 1.00 0.00 H new ATOM 801 N SER A 54 -14.345 -0.468 -7.501 1.00 0.00 N ATOM 802 CA SER A 54 -15.586 -1.181 -7.752 1.00 0.00 C ATOM 803 C SER A 54 -15.999 -1.015 -9.216 1.00 0.00 C ATOM 804 O SER A 54 -16.830 -1.769 -9.719 1.00 0.00 O ATOM 805 CB SER A 54 -16.701 -0.688 -6.827 1.00 0.00 C ATOM 806 OG SER A 54 -17.924 -1.386 -7.046 1.00 0.00 O ATOM 0 H SER A 54 -14.461 0.463 -7.101 1.00 0.00 H new ATOM 0 HA SER A 54 -15.420 -2.238 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.393 -0.813 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.859 0.379 -6.986 1.00 0.00 H new ATOM 0 HG SER A 54 -18.610 -1.044 -6.436 1.00 0.00 H new ATOM 812 N ALA A 55 -15.398 -0.024 -9.858 1.00 0.00 N ATOM 813 CA ALA A 55 -15.693 0.250 -11.254 1.00 0.00 C ATOM 814 C ALA A 55 -14.579 -0.329 -12.129 1.00 0.00 C ATOM 815 O ALA A 55 -14.574 -0.133 -13.343 1.00 0.00 O ATOM 816 CB ALA A 55 -15.868 1.757 -11.453 1.00 0.00 C ATOM 0 H ALA A 55 -14.708 0.599 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.627 -0.228 -11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.089 1.962 -12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.690 2.113 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.950 2.271 -11.169 1.00 0.00 H new ATOM 822 N GLY A 56 -13.662 -1.030 -11.478 1.00 0.00 N ATOM 823 CA GLY A 56 -12.546 -1.638 -12.181 1.00 0.00 C ATOM 824 C GLY A 56 -11.796 -0.601 -13.020 1.00 0.00 C ATOM 825 O GLY A 56 -11.281 -0.918 -14.091 1.00 0.00 O ATOM 0 H GLY A 56 -13.670 -1.190 -10.471 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.863 -2.093 -11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.910 -2.438 -12.826 1.00 0.00 H new ATOM 829 N VAL A 57 -11.759 0.618 -12.502 1.00 0.00 N ATOM 830 CA VAL A 57 -11.081 1.703 -13.190 1.00 0.00 C ATOM 831 C VAL A 57 -9.703 1.918 -12.561 1.00 0.00 C ATOM 832 O VAL A 57 -9.600 2.251 -11.382 1.00 0.00 O ATOM 833 CB VAL A 57 -11.951 2.962 -13.167 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.246 4.129 -13.861 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.319 2.694 -13.798 1.00 0.00 C ATOM 0 H VAL A 57 -12.188 0.878 -11.614 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.924 1.451 -14.239 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.111 3.240 -12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.886 5.011 -13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.308 4.344 -13.349 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.041 3.865 -14.899 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.918 3.604 -13.769 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.187 2.379 -14.833 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.828 1.907 -13.242 1.00 0.00 H new ATOM 845 N PRO A 58 -8.651 1.713 -13.398 1.00 0.00 N ATOM 846 CA PRO A 58 -7.284 1.880 -12.937 1.00 0.00 C ATOM 847 C PRO A 58 -6.929 3.362 -12.798 1.00 0.00 C ATOM 848 O PRO A 58 -7.269 4.169 -13.663 1.00 0.00 O ATOM 849 CB PRO A 58 -6.430 1.159 -13.967 1.00 0.00 C ATOM 850 CG PRO A 58 -7.301 1.015 -15.204 1.00 0.00 C ATOM 851 CD PRO A 58 -8.735 1.318 -14.801 1.00 0.00 C ATOM 0 HA PRO A 58 -7.122 1.463 -11.943 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.526 1.725 -14.190 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.112 0.184 -13.597 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.971 1.700 -15.985 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.223 0.007 -15.610 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.158 2.115 -15.412 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.375 0.445 -14.929 1.00 0.00 H new ATOM 859 N TYR A 59 -6.251 3.676 -11.704 1.00 0.00 N ATOM 860 CA TYR A 59 -5.847 5.047 -11.442 1.00 0.00 C ATOM 861 C TYR A 59 -5.414 5.748 -12.731 1.00 0.00 C ATOM 862 O TYR A 59 -6.060 6.698 -13.172 1.00 0.00 O ATOM 863 CB TYR A 59 -4.647 4.959 -10.496 1.00 0.00 C ATOM 864 CG TYR A 59 -4.184 6.311 -9.951 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.104 7.194 -9.423 1.00 0.00 C ATOM 866 CD2 TYR A 59 -2.846 6.648 -9.987 1.00 0.00 C ATOM 867 CE1 TYR A 59 -4.669 8.467 -8.910 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.411 7.921 -9.473 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.344 8.768 -8.960 1.00 0.00 C ATOM 870 OH TYR A 59 -2.932 9.970 -8.475 1.00 0.00 O ATOM 0 H TYR A 59 -5.971 3.005 -10.989 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.674 5.616 -11.018 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.904 4.310 -9.659 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.817 4.487 -11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.151 6.930 -9.395 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.126 5.957 -10.400 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.379 9.167 -8.495 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.367 8.197 -9.494 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.531 10.254 -7.753 1.00 0.00 H new ATOM 880 N HIS A 60 -4.325 5.252 -13.300 1.00 0.00 N ATOM 881 CA HIS A 60 -3.799 5.819 -14.530 1.00 0.00 C ATOM 882 C HIS A 60 -3.656 4.718 -15.582 1.00 0.00 C ATOM 883 O HIS A 60 -3.199 4.973 -16.695 1.00 0.00 O ATOM 884 CB HIS A 60 -2.488 6.563 -14.268 1.00 0.00 C ATOM 885 CG HIS A 60 -2.669 7.922 -13.636 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.478 8.330 -12.617 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.968 9.041 -14.051 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.281 9.628 -12.419 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.346 10.071 -13.308 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.793 4.464 -12.932 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.497 6.559 -14.921 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.859 5.953 -13.619 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.954 6.680 -15.211 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.237 9.070 -14.846 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.779 10.234 -11.676 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.999 11.027 -13.387 1.00 0.00 H new ATOM 897 N GLY A 61 -4.056 3.516 -15.193 1.00 0.00 N ATOM 898 CA GLY A 61 -3.979 2.375 -16.089 1.00 0.00 C ATOM 899 C GLY A 61 -2.867 1.415 -15.660 1.00 0.00 C ATOM 900 O GLY A 61 -2.535 0.479 -16.386 1.00 0.00 O ATOM 0 H GLY A 61 -4.434 3.308 -14.269 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.934 1.850 -16.098 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.795 2.719 -17.107 1.00 0.00 H new ATOM 904 N GLU A 62 -2.323 1.680 -14.481 1.00 0.00 N ATOM 905 CA GLU A 62 -1.256 0.852 -13.946 1.00 0.00 C ATOM 906 C GLU A 62 -1.815 -0.488 -13.463 1.00 0.00 C ATOM 907 O GLU A 62 -2.822 -0.526 -12.759 1.00 0.00 O ATOM 908 CB GLU A 62 -0.513 1.574 -12.820 1.00 0.00 C ATOM 909 CG GLU A 62 0.171 2.841 -13.339 1.00 0.00 C ATOM 910 CD GLU A 62 0.863 3.595 -12.201 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.889 3.071 -11.715 1.00 0.00 O ATOM 912 OE2 GLU A 62 0.351 4.677 -11.843 1.00 0.00 O ATOM 0 H GLU A 62 -2.602 2.457 -13.881 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.539 0.658 -14.744 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.213 1.834 -12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.231 0.907 -12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.902 2.577 -14.103 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.566 3.488 -13.814 1.00 0.00 H new ATOM 919 N VAL A 63 -1.137 -1.554 -13.862 1.00 0.00 N ATOM 920 CA VAL A 63 -1.553 -2.892 -13.478 1.00 0.00 C ATOM 921 C VAL A 63 -1.060 -3.189 -12.061 1.00 0.00 C ATOM 922 O VAL A 63 -0.297 -2.411 -11.490 1.00 0.00 O ATOM 923 CB VAL A 63 -1.058 -3.910 -14.509 1.00 0.00 C ATOM 924 CG1 VAL A 63 -0.885 -3.259 -15.882 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.243 -4.569 -14.046 1.00 0.00 C ATOM 0 H VAL A 63 -0.302 -1.518 -14.447 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.641 -2.964 -13.465 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.814 -4.690 -14.601 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.533 -4.004 -16.596 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.841 -2.858 -16.218 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.157 -2.450 -15.812 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.574 -5.288 -14.796 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.010 -3.806 -13.912 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.074 -5.083 -13.100 1.00 0.00 H new ATOM 935 N PRO A 64 -1.528 -4.345 -11.520 1.00 0.00 N ATOM 936 CA PRO A 64 -1.143 -4.754 -10.180 1.00 0.00 C ATOM 937 C PRO A 64 0.292 -5.285 -10.159 1.00 0.00 C ATOM 938 O PRO A 64 0.680 -6.070 -11.023 1.00 0.00 O ATOM 939 CB PRO A 64 -2.169 -5.801 -9.777 1.00 0.00 C ATOM 940 CG PRO A 64 -2.809 -6.276 -11.072 1.00 0.00 C ATOM 941 CD PRO A 64 -2.433 -5.291 -12.166 1.00 0.00 C ATOM 0 HA PRO A 64 -1.141 -3.925 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.696 -6.629 -9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.915 -5.378 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.462 -7.278 -11.324 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.892 -6.332 -10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.948 -5.795 -13.002 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.314 -4.787 -12.565 1.00 0.00 H new ATOM 949 N VAL A 65 1.042 -4.835 -9.164 1.00 0.00 N ATOM 950 CA VAL A 65 2.425 -5.254 -9.020 1.00 0.00 C ATOM 951 C VAL A 65 2.470 -6.624 -8.339 1.00 0.00 C ATOM 952 O VAL A 65 1.953 -6.789 -7.236 1.00 0.00 O ATOM 953 CB VAL A 65 3.221 -4.186 -8.267 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.450 -2.953 -9.144 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.526 -3.807 -6.958 1.00 0.00 C ATOM 0 H VAL A 65 0.717 -4.184 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 65 2.895 -5.361 -9.998 1.00 0.00 H new ATOM 0 HB VAL A 65 4.196 -4.606 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.018 -2.209 -8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.007 -3.239 -10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.489 -2.531 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.112 -3.046 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.532 -3.415 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.438 -4.689 -6.324 1.00 0.00 H new ATOM 965 N SER A 66 3.093 -7.570 -9.026 1.00 0.00 N ATOM 966 CA SER A 66 3.212 -8.920 -8.502 1.00 0.00 C ATOM 967 C SER A 66 4.082 -8.918 -7.243 1.00 0.00 C ATOM 968 O SER A 66 5.188 -8.379 -7.250 1.00 0.00 O ATOM 969 CB SER A 66 3.798 -9.869 -9.550 1.00 0.00 C ATOM 970 OG SER A 66 4.731 -9.211 -10.403 1.00 0.00 O ATOM 0 H SER A 66 3.521 -7.428 -9.941 1.00 0.00 H new ATOM 0 HA SER A 66 2.214 -9.276 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.290 -10.703 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.991 -10.289 -10.151 1.00 0.00 H new ATOM 0 HG SER A 66 5.084 -9.850 -11.057 1.00 0.00 H new ATOM 976 N LEU A 67 3.550 -9.525 -6.193 1.00 0.00 N ATOM 977 CA LEU A 67 4.264 -9.600 -4.930 1.00 0.00 C ATOM 978 C LEU A 67 5.057 -10.907 -4.874 1.00 0.00 C ATOM 979 O LEU A 67 5.204 -11.503 -3.808 1.00 0.00 O ATOM 980 CB LEU A 67 3.298 -9.416 -3.757 1.00 0.00 C ATOM 981 CG LEU A 67 2.366 -8.206 -3.839 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.076 -8.454 -3.055 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.079 -6.932 -3.382 1.00 0.00 C ATOM 0 H LEU A 67 2.632 -9.970 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 67 4.985 -8.786 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.687 -10.315 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.882 -9.338 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 67 2.086 -8.061 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.431 -7.579 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.560 -9.321 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.316 -8.640 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.394 -6.087 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.408 -7.050 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.944 -6.750 -4.020 1.00 0.00 H new ATOM 995 N ALA A 68 5.549 -11.314 -6.035 1.00 0.00 N ATOM 996 CA ALA A 68 6.324 -12.539 -6.132 1.00 0.00 C ATOM 997 C ALA A 68 7.773 -12.253 -5.735 1.00 0.00 C ATOM 998 O ALA A 68 8.547 -11.725 -6.533 1.00 0.00 O ATOM 999 CB ALA A 68 6.209 -13.106 -7.549 1.00 0.00 C ATOM 0 H ALA A 68 5.426 -10.817 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 68 5.937 -13.293 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.791 -14.025 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.164 -13.320 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.591 -12.378 -8.264 1.00 0.00 H new ATOM 1005 N ARG A 69 8.098 -12.614 -4.502 1.00 0.00 N ATOM 1006 CA ARG A 69 9.441 -12.403 -3.989 1.00 0.00 C ATOM 1007 C ARG A 69 9.614 -10.952 -3.537 1.00 0.00 C ATOM 1008 O ARG A 69 10.735 -10.449 -3.469 1.00 0.00 O ATOM 1009 CB ARG A 69 10.493 -12.728 -5.051 1.00 0.00 C ATOM 1010 CG ARG A 69 10.106 -13.979 -5.843 1.00 0.00 C ATOM 1011 CD ARG A 69 11.275 -14.962 -5.922 1.00 0.00 C ATOM 1012 NE ARG A 69 10.768 -16.352 -5.939 1.00 0.00 N ATOM 1013 CZ ARG A 69 11.539 -17.435 -5.771 1.00 0.00 C ATOM 1014 NH1 ARG A 69 12.857 -17.295 -5.574 1.00 0.00 N ATOM 1015 NH2 ARG A 69 10.992 -18.658 -5.801 1.00 0.00 N ATOM 0 H ARG A 69 7.454 -13.051 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 69 9.581 -13.071 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.602 -11.883 -5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.461 -12.880 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.251 -14.463 -5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.796 -13.695 -6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.862 -14.770 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.939 -14.819 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 69 9.769 -16.495 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.273 -16.364 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.444 -18.119 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.989 -18.764 -5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.579 -19.482 -5.673 1.00 0.00 H new ATOM 1029 N ALA A 70 8.489 -10.319 -3.240 1.00 0.00 N ATOM 1030 CA ALA A 70 8.502 -8.936 -2.796 1.00 0.00 C ATOM 1031 C ALA A 70 8.663 -8.894 -1.275 1.00 0.00 C ATOM 1032 O ALA A 70 8.373 -9.874 -0.590 1.00 0.00 O ATOM 1033 CB ALA A 70 7.226 -8.236 -3.267 1.00 0.00 C ATOM 0 H ALA A 70 7.561 -10.739 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 70 9.346 -8.402 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.236 -7.198 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.175 -8.267 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.357 -8.743 -2.848 1.00 0.00 H new ATOM 1039 N GLN A 71 9.123 -7.750 -0.792 1.00 0.00 N ATOM 1040 CA GLN A 71 9.326 -7.568 0.635 1.00 0.00 C ATOM 1041 C GLN A 71 8.392 -6.479 1.169 1.00 0.00 C ATOM 1042 O GLN A 71 8.149 -5.480 0.495 1.00 0.00 O ATOM 1043 CB GLN A 71 10.787 -7.236 0.944 1.00 0.00 C ATOM 1044 CG GLN A 71 11.171 -5.868 0.377 1.00 0.00 C ATOM 1045 CD GLN A 71 11.743 -4.963 1.469 1.00 0.00 C ATOM 1046 OE1 GLN A 71 11.093 -4.644 2.451 1.00 0.00 O ATOM 1047 NE2 GLN A 71 12.993 -4.568 1.244 1.00 0.00 N ATOM 0 H GLN A 71 9.361 -6.939 -1.363 1.00 0.00 H new ATOM 0 HA GLN A 71 9.087 -8.505 1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.945 -7.244 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.435 -8.004 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.906 -5.993 -0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.295 -5.397 -0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.480 -4.872 0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.465 -3.961 1.915 1.00 0.00 H new ATOM 1056 N GLY A 72 7.895 -6.710 2.375 1.00 0.00 N ATOM 1057 CA GLY A 72 6.994 -5.762 3.007 1.00 0.00 C ATOM 1058 C GLY A 72 7.381 -5.528 4.469 1.00 0.00 C ATOM 1059 O GLY A 72 7.242 -6.422 5.302 1.00 0.00 O ATOM 0 H GLY A 72 8.099 -7.540 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.017 -4.816 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.971 -6.135 2.953 1.00 0.00 H new ATOM 1063 N SER A 73 7.858 -4.321 4.736 1.00 0.00 N ATOM 1064 CA SER A 73 8.266 -3.959 6.082 1.00 0.00 C ATOM 1065 C SER A 73 7.763 -2.554 6.421 1.00 0.00 C ATOM 1066 O SER A 73 7.438 -1.775 5.527 1.00 0.00 O ATOM 1067 CB SER A 73 9.786 -4.030 6.235 1.00 0.00 C ATOM 1068 OG SER A 73 10.277 -5.359 6.082 1.00 0.00 O ATOM 0 H SER A 73 7.971 -3.581 4.043 1.00 0.00 H new ATOM 0 HA SER A 73 7.825 -4.674 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.255 -3.383 5.494 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.070 -3.650 7.216 1.00 0.00 H new ATOM 0 HG SER A 73 11.252 -5.362 6.185 1.00 0.00 H new ATOM 1074 N VAL A 74 7.716 -2.273 7.715 1.00 0.00 N ATOM 1075 CA VAL A 74 7.258 -0.976 8.183 1.00 0.00 C ATOM 1076 C VAL A 74 8.269 0.096 7.770 1.00 0.00 C ATOM 1077 O VAL A 74 9.424 -0.214 7.479 1.00 0.00 O ATOM 1078 CB VAL A 74 7.017 -1.019 9.693 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.761 0.383 10.248 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.863 -1.964 10.037 1.00 0.00 C ATOM 0 H VAL A 74 7.988 -2.922 8.454 1.00 0.00 H new ATOM 0 HA VAL A 74 6.304 -0.719 7.722 1.00 0.00 H new ATOM 0 HB VAL A 74 7.920 -1.406 10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.593 0.324 11.323 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.626 1.016 10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.881 0.810 9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.712 -1.976 11.116 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.952 -1.619 9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.102 -2.970 9.692 1.00 0.00 H new ATOM 1090 N ALA A 75 7.798 1.334 7.757 1.00 0.00 N ATOM 1091 CA ALA A 75 8.647 2.454 7.384 1.00 0.00 C ATOM 1092 C ALA A 75 9.245 3.077 8.647 1.00 0.00 C ATOM 1093 O ALA A 75 8.848 4.168 9.053 1.00 0.00 O ATOM 1094 CB ALA A 75 7.835 3.460 6.566 1.00 0.00 C ATOM 0 H ALA A 75 6.840 1.587 7.999 1.00 0.00 H new ATOM 0 HA ALA A 75 9.474 2.118 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.471 4.300 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.457 2.976 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.998 3.822 7.162 1.00 0.00 H new ATOM 1100 N PHE A 76 10.190 2.357 9.233 1.00 0.00 N ATOM 1101 CA PHE A 76 10.848 2.826 10.441 1.00 0.00 C ATOM 1102 C PHE A 76 11.878 3.910 10.119 1.00 0.00 C ATOM 1103 O PHE A 76 13.066 3.621 9.981 1.00 0.00 O ATOM 1104 CB PHE A 76 11.565 1.622 11.056 1.00 0.00 C ATOM 1105 CG PHE A 76 10.623 0.541 11.588 1.00 0.00 C ATOM 1106 CD1 PHE A 76 9.750 0.832 12.589 1.00 0.00 C ATOM 1107 CD2 PHE A 76 10.658 -0.712 11.060 1.00 0.00 C ATOM 1108 CE1 PHE A 76 8.875 -0.171 13.083 1.00 0.00 C ATOM 1109 CE2 PHE A 76 9.784 -1.716 11.553 1.00 0.00 C ATOM 1110 CZ PHE A 76 8.911 -1.424 12.554 1.00 0.00 C ATOM 0 H PHE A 76 10.516 1.452 8.894 1.00 0.00 H new ATOM 0 HA PHE A 76 10.113 3.253 11.123 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.221 1.181 10.305 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.201 1.968 11.871 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.722 1.827 13.009 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.351 -0.943 10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.181 0.060 13.878 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.812 -2.711 11.134 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.246 -2.187 12.929 1.00 0.00 H new ATOM 1120 N ASP A 77 11.387 5.135 10.010 1.00 0.00 N ATOM 1121 CA ASP A 77 12.250 6.264 9.708 1.00 0.00 C ATOM 1122 C ASP A 77 11.391 7.500 9.436 1.00 0.00 C ATOM 1123 O ASP A 77 11.650 8.573 9.979 1.00 0.00 O ATOM 1124 CB ASP A 77 13.095 5.992 8.461 1.00 0.00 C ATOM 1125 CG ASP A 77 14.608 6.074 8.675 1.00 0.00 C ATOM 1126 OD1 ASP A 77 15.017 6.037 9.855 1.00 0.00 O ATOM 1127 OD2 ASP A 77 15.321 6.172 7.653 1.00 0.00 O ATOM 0 H ASP A 77 10.401 5.371 10.126 1.00 0.00 H new ATOM 0 HA ASP A 77 12.907 6.424 10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.850 4.999 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.813 6.706 7.687 1.00 0.00 H new ATOM 1132 N TYR A 78 10.384 7.308 8.596 1.00 0.00 N ATOM 1133 CA TYR A 78 9.485 8.394 8.245 1.00 0.00 C ATOM 1134 C TYR A 78 9.126 9.228 9.477 1.00 0.00 C ATOM 1135 O TYR A 78 8.226 8.869 10.234 1.00 0.00 O ATOM 1136 CB TYR A 78 8.215 7.733 7.705 1.00 0.00 C ATOM 1137 CG TYR A 78 7.425 8.607 6.730 1.00 0.00 C ATOM 1138 CD1 TYR A 78 7.505 9.982 6.815 1.00 0.00 C ATOM 1139 CD2 TYR A 78 6.632 8.021 5.764 1.00 0.00 C ATOM 1140 CE1 TYR A 78 6.761 10.805 5.897 1.00 0.00 C ATOM 1141 CE2 TYR A 78 5.888 8.844 4.846 1.00 0.00 C ATOM 1142 CZ TYR A 78 5.989 10.195 4.958 1.00 0.00 C ATOM 1143 OH TYR A 78 5.286 10.973 4.091 1.00 0.00 O ATOM 0 H TYR A 78 10.171 6.416 8.148 1.00 0.00 H new ATOM 0 HA TYR A 78 9.952 9.059 7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.486 6.803 7.205 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.571 7.468 8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.126 10.441 7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.570 6.945 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.815 11.882 5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.264 8.398 4.086 1.00 0.00 H new ATOM 0 HH TYR A 78 5.400 10.632 3.179 1.00 0.00 H new ATOM 1153 N ARG A 79 9.849 10.327 9.639 1.00 0.00 N ATOM 1154 CA ARG A 79 9.619 11.215 10.766 1.00 0.00 C ATOM 1155 C ARG A 79 8.645 12.328 10.373 1.00 0.00 C ATOM 1156 O ARG A 79 9.030 13.494 10.292 1.00 0.00 O ATOM 1157 CB ARG A 79 10.928 11.840 11.251 1.00 0.00 C ATOM 1158 CG ARG A 79 10.827 12.251 12.721 1.00 0.00 C ATOM 1159 CD ARG A 79 11.092 13.749 12.891 1.00 0.00 C ATOM 1160 NE ARG A 79 11.572 14.025 14.263 1.00 0.00 N ATOM 1161 CZ ARG A 79 11.758 15.256 14.760 1.00 0.00 C ATOM 1162 NH1 ARG A 79 11.507 16.330 14.000 1.00 0.00 N ATOM 1163 NH2 ARG A 79 12.197 15.412 16.017 1.00 0.00 N ATOM 0 H ARG A 79 10.594 10.622 9.008 1.00 0.00 H new ATOM 0 HA ARG A 79 9.192 10.622 11.575 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.744 11.129 11.124 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.167 12.712 10.641 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.836 12.008 13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.545 11.682 13.312 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.833 14.080 12.164 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.180 14.313 12.696 1.00 0.00 H new ATOM 0 HE ARG A 79 11.774 13.229 14.868 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.174 16.211 13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.648 17.267 14.378 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.389 14.594 16.595 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.339 16.349 16.395 1.00 0.00 H new ATOM 1177 N LYS A 80 7.403 11.930 10.140 1.00 0.00 N ATOM 1178 CA LYS A 80 6.372 12.879 9.759 1.00 0.00 C ATOM 1179 C LYS A 80 5.018 12.168 9.722 1.00 0.00 C ATOM 1180 O LYS A 80 4.072 12.592 10.384 1.00 0.00 O ATOM 1181 CB LYS A 80 6.739 13.569 8.444 1.00 0.00 C ATOM 1182 CG LYS A 80 7.176 15.016 8.687 1.00 0.00 C ATOM 1183 CD LYS A 80 6.069 15.996 8.295 1.00 0.00 C ATOM 1184 CE LYS A 80 6.648 17.228 7.598 1.00 0.00 C ATOM 1185 NZ LYS A 80 6.488 18.429 8.449 1.00 0.00 N ATOM 0 H LYS A 80 7.088 10.962 10.208 1.00 0.00 H new ATOM 0 HA LYS A 80 6.295 13.675 10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.543 13.020 7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.883 13.552 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.431 15.151 9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.076 15.229 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.358 15.501 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.518 16.302 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.704 17.067 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.146 17.382 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.886 19.256 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.478 18.590 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.987 18.285 9.350 1.00 0.00 H new ATOM 1199 N ARG A 81 4.969 11.097 8.943 1.00 0.00 N ATOM 1200 CA ARG A 81 3.746 10.323 8.812 1.00 0.00 C ATOM 1201 C ARG A 81 3.712 9.204 9.856 1.00 0.00 C ATOM 1202 O ARG A 81 4.731 8.893 10.471 1.00 0.00 O ATOM 1203 CB ARG A 81 3.629 9.710 7.415 1.00 0.00 C ATOM 1204 CG ARG A 81 3.432 10.796 6.355 1.00 0.00 C ATOM 1205 CD ARG A 81 2.230 11.681 6.694 1.00 0.00 C ATOM 1206 NE ARG A 81 1.676 12.277 5.458 1.00 0.00 N ATOM 1207 CZ ARG A 81 0.689 13.184 5.438 1.00 0.00 C ATOM 1208 NH1 ARG A 81 0.142 13.603 6.587 1.00 0.00 N ATOM 1209 NH2 ARG A 81 0.250 13.670 4.270 1.00 0.00 N ATOM 0 H ARG A 81 5.756 10.747 8.397 1.00 0.00 H new ATOM 0 HA ARG A 81 2.907 11.000 8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.527 9.135 7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.790 9.014 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.331 11.408 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.284 10.334 5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.464 11.091 7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.531 12.469 7.384 1.00 0.00 H new ATOM 0 HE ARG A 81 2.070 11.979 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.477 13.232 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.609 14.293 6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.667 13.350 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.501 14.360 4.255 1.00 0.00 H new ATOM 1223 N LYS A 82 2.529 8.631 10.023 1.00 0.00 N ATOM 1224 CA LYS A 82 2.349 7.554 10.982 1.00 0.00 C ATOM 1225 C LYS A 82 1.718 6.351 10.278 1.00 0.00 C ATOM 1226 O LYS A 82 1.037 6.506 9.266 1.00 0.00 O ATOM 1227 CB LYS A 82 1.554 8.043 12.194 1.00 0.00 C ATOM 1228 CG LYS A 82 2.391 8.997 13.050 1.00 0.00 C ATOM 1229 CD LYS A 82 1.512 9.749 14.051 1.00 0.00 C ATOM 1230 CE LYS A 82 2.342 10.735 14.877 1.00 0.00 C ATOM 1231 NZ LYS A 82 2.865 10.078 16.095 1.00 0.00 N ATOM 0 H LYS A 82 1.686 8.892 9.511 1.00 0.00 H new ATOM 0 HA LYS A 82 3.313 7.227 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.648 8.549 11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.239 7.190 12.795 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.157 8.435 13.584 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.908 9.710 12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.726 10.286 13.519 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.020 9.038 14.714 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.169 11.115 14.277 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.729 11.593 15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.426 10.760 16.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.071 9.737 16.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.467 9.274 15.825 1.00 0.00 H new ATOM 1245 N HIS A 83 1.967 5.178 10.842 1.00 0.00 N ATOM 1246 CA HIS A 83 1.432 3.949 10.282 1.00 0.00 C ATOM 1247 C HIS A 83 1.769 3.876 8.791 1.00 0.00 C ATOM 1248 O HIS A 83 0.875 3.919 7.946 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.069 3.835 10.557 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.607 4.902 11.479 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.219 6.091 11.206 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.543 4.804 12.858 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.513 6.685 12.355 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -1.094 5.890 13.381 1.00 0.00 N flip ATOM 0 H HIS A 83 2.533 5.053 11.682 1.00 0.00 H new ATOM 0 HA HIS A 83 1.897 3.091 10.767 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.606 3.883 9.610 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.275 2.857 10.991 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.116 3.982 13.414 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.004 7.641 12.461 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.188 6.095 14.376 1.00 0.00 H new ATOM 1262 N VAL A 84 3.060 3.767 8.513 1.00 0.00 N ATOM 1263 CA VAL A 84 3.525 3.688 7.139 1.00 0.00 C ATOM 1264 C VAL A 84 4.495 2.513 7.001 1.00 0.00 C ATOM 1265 O VAL A 84 5.308 2.267 7.891 1.00 0.00 O ATOM 1266 CB VAL A 84 4.141 5.024 6.717 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.849 4.899 5.367 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.082 6.128 6.681 1.00 0.00 C ATOM 0 H VAL A 84 3.798 3.732 9.216 1.00 0.00 H new ATOM 0 HA VAL A 84 2.690 3.502 6.463 1.00 0.00 H new ATOM 0 HB VAL A 84 4.887 5.300 7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.278 5.862 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.643 4.156 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.131 4.590 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.545 7.067 6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.303 5.861 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.643 6.243 7.672 1.00 0.00 H new ATOM 1278 N PHE A 85 4.377 1.818 5.879 1.00 0.00 N ATOM 1279 CA PHE A 85 5.233 0.674 5.613 1.00 0.00 C ATOM 1280 C PHE A 85 5.827 0.750 4.205 1.00 0.00 C ATOM 1281 O PHE A 85 5.162 1.193 3.270 1.00 0.00 O ATOM 1282 CB PHE A 85 4.356 -0.575 5.718 1.00 0.00 C ATOM 1283 CG PHE A 85 3.126 -0.550 4.808 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.127 0.343 5.039 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.032 -1.421 3.768 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.986 0.366 4.195 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.891 -1.398 2.923 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.892 -0.505 3.154 1.00 0.00 C ATOM 0 H PHE A 85 3.701 2.025 5.143 1.00 0.00 H new ATOM 0 HA PHE A 85 6.058 0.652 6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.958 -1.451 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.029 -0.691 6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.202 1.035 5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.825 -2.130 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.192 1.075 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.817 -2.090 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.024 -0.487 2.511 1.00 0.00 H new ATOM 1298 N LYS A 86 7.072 0.310 4.098 1.00 0.00 N ATOM 1299 CA LYS A 86 7.763 0.321 2.820 1.00 0.00 C ATOM 1300 C LYS A 86 7.635 -1.055 2.164 1.00 0.00 C ATOM 1301 O LYS A 86 7.884 -2.076 2.801 1.00 0.00 O ATOM 1302 CB LYS A 86 9.210 0.787 2.998 1.00 0.00 C ATOM 1303 CG LYS A 86 9.931 0.861 1.650 1.00 0.00 C ATOM 1304 CD LYS A 86 11.395 1.263 1.834 1.00 0.00 C ATOM 1305 CE LYS A 86 11.519 2.754 2.153 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.671 2.999 3.049 1.00 0.00 N ATOM 0 H LYS A 86 7.620 -0.057 4.876 1.00 0.00 H new ATOM 0 HA LYS A 86 7.302 1.040 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.224 1.766 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.738 0.101 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.876 -0.106 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.430 1.583 1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.838 0.677 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.955 1.034 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.642 3.320 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.602 3.108 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.740 4.016 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.538 2.474 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.545 2.679 2.585 1.00 0.00 H new ATOM 1320 N LEU A 87 7.247 -1.037 0.897 1.00 0.00 N ATOM 1321 CA LEU A 87 7.084 -2.270 0.147 1.00 0.00 C ATOM 1322 C LEU A 87 8.123 -2.322 -0.975 1.00 0.00 C ATOM 1323 O LEU A 87 8.084 -1.512 -1.900 1.00 0.00 O ATOM 1324 CB LEU A 87 5.642 -2.411 -0.345 1.00 0.00 C ATOM 1325 CG LEU A 87 5.359 -3.603 -1.261 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.444 -4.921 -0.489 1.00 0.00 C ATOM 1327 CD2 LEU A 87 4.014 -3.441 -1.972 1.00 0.00 C ATOM 0 H LEU A 87 7.041 -0.188 0.371 1.00 0.00 H new ATOM 0 HA LEU A 87 7.264 -3.132 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.988 -2.483 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.369 -1.498 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 87 6.129 -3.631 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.239 -5.752 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.444 -5.033 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.710 -4.918 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.837 -4.302 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.217 -3.373 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.028 -2.533 -2.575 1.00 0.00 H new ATOM 1339 N GLY A 88 9.028 -3.282 -0.855 1.00 0.00 N ATOM 1340 CA GLY A 88 10.076 -3.450 -1.848 1.00 0.00 C ATOM 1341 C GLY A 88 9.837 -4.704 -2.692 1.00 0.00 C ATOM 1342 O GLY A 88 9.879 -5.820 -2.177 1.00 0.00 O ATOM 0 H GLY A 88 9.058 -3.951 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.113 -2.574 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.044 -3.520 -1.352 1.00 0.00 H new ATOM 1346 N LEU A 89 9.590 -4.477 -3.974 1.00 0.00 N ATOM 1347 CA LEU A 89 9.344 -5.574 -4.894 1.00 0.00 C ATOM 1348 C LEU A 89 10.660 -6.301 -5.178 1.00 0.00 C ATOM 1349 O LEU A 89 11.684 -5.999 -4.567 1.00 0.00 O ATOM 1350 CB LEU A 89 8.636 -5.069 -6.153 1.00 0.00 C ATOM 1351 CG LEU A 89 7.336 -4.295 -5.927 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.416 -4.401 -7.145 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.641 -4.755 -4.643 1.00 0.00 C ATOM 0 H LEU A 89 9.555 -3.549 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 89 8.668 -6.302 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.326 -4.428 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.419 -5.925 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 89 7.583 -3.241 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.499 -3.842 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.920 -3.989 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.172 -5.448 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.719 -4.189 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.407 -5.817 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.301 -4.587 -3.792 1.00 0.00 H new ATOM 1365 N GLN A 90 10.589 -7.245 -6.104 1.00 0.00 N ATOM 1366 CA GLN A 90 11.762 -8.018 -6.477 1.00 0.00 C ATOM 1367 C GLN A 90 12.436 -7.402 -7.704 1.00 0.00 C ATOM 1368 O GLN A 90 13.595 -7.694 -7.993 1.00 0.00 O ATOM 1369 CB GLN A 90 11.397 -9.482 -6.728 1.00 0.00 C ATOM 1370 CG GLN A 90 10.312 -9.600 -7.801 1.00 0.00 C ATOM 1371 CD GLN A 90 10.300 -11.001 -8.416 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.008 -11.900 -7.993 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.457 -11.136 -9.436 1.00 0.00 N ATOM 0 H GLN A 90 9.737 -7.493 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 90 12.469 -7.992 -5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.284 -10.033 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.048 -9.938 -5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.338 -9.383 -7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.484 -8.858 -8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.893 -10.342 -9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.375 -12.033 -9.914 1.00 0.00 H new ATOM 1382 N ASP A 91 11.680 -6.560 -8.394 1.00 0.00 N ATOM 1383 CA ASP A 91 12.190 -5.900 -9.585 1.00 0.00 C ATOM 1384 C ASP A 91 12.922 -4.620 -9.178 1.00 0.00 C ATOM 1385 O ASP A 91 13.376 -3.863 -10.035 1.00 0.00 O ATOM 1386 CB ASP A 91 11.051 -5.514 -10.530 1.00 0.00 C ATOM 1387 CG ASP A 91 11.362 -5.680 -12.019 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.559 -5.577 -12.363 1.00 0.00 O ATOM 1389 OD2 ASP A 91 10.396 -5.905 -12.779 1.00 0.00 O ATOM 0 H ASP A 91 10.719 -6.320 -8.151 1.00 0.00 H new ATOM 0 HA ASP A 91 12.862 -6.592 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.177 -6.118 -10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.781 -4.474 -10.344 1.00 0.00 H new ATOM 1394 N GLY A 92 13.014 -4.418 -7.872 1.00 0.00 N ATOM 1395 CA GLY A 92 13.683 -3.242 -7.342 1.00 0.00 C ATOM 1396 C GLY A 92 12.711 -2.067 -7.218 1.00 0.00 C ATOM 1397 O GLY A 92 13.128 -0.909 -7.221 1.00 0.00 O ATOM 0 H GLY A 92 12.636 -5.049 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.109 -3.471 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.512 -2.966 -7.994 1.00 0.00 H new ATOM 1401 N LYS A 93 11.435 -2.405 -7.113 1.00 0.00 N ATOM 1402 CA LYS A 93 10.400 -1.392 -6.988 1.00 0.00 C ATOM 1403 C LYS A 93 10.062 -1.194 -5.509 1.00 0.00 C ATOM 1404 O LYS A 93 9.678 -2.142 -4.825 1.00 0.00 O ATOM 1405 CB LYS A 93 9.191 -1.752 -7.853 1.00 0.00 C ATOM 1406 CG LYS A 93 8.973 -0.710 -8.952 1.00 0.00 C ATOM 1407 CD LYS A 93 7.742 -1.051 -9.795 1.00 0.00 C ATOM 1408 CE LYS A 93 8.128 -1.890 -11.014 1.00 0.00 C ATOM 1409 NZ LYS A 93 9.091 -2.947 -10.633 1.00 0.00 N ATOM 0 H LYS A 93 11.093 -3.366 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 93 10.757 -0.433 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.340 -2.734 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.300 -1.819 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.850 0.276 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.854 -0.661 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.020 -1.597 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.254 -0.132 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.236 -2.342 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.566 -1.250 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.303 -3.538 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.968 -2.509 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.679 -3.538 -9.882 1.00 0.00 H new ATOM 1423 N GLU A 94 10.215 0.043 -5.060 1.00 0.00 N ATOM 1424 CA GLU A 94 9.930 0.376 -3.675 1.00 0.00 C ATOM 1425 C GLU A 94 8.824 1.431 -3.600 1.00 0.00 C ATOM 1426 O GLU A 94 8.940 2.501 -4.195 1.00 0.00 O ATOM 1427 CB GLU A 94 11.193 0.854 -2.955 1.00 0.00 C ATOM 1428 CG GLU A 94 11.332 0.182 -1.588 1.00 0.00 C ATOM 1429 CD GLU A 94 12.794 -0.157 -1.290 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.475 0.721 -0.718 1.00 0.00 O ATOM 1431 OE2 GLU A 94 13.198 -1.287 -1.641 1.00 0.00 O ATOM 0 H GLU A 94 10.533 0.826 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 94 9.582 -0.525 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.069 0.632 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.157 1.936 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.943 0.842 -0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.732 -0.727 -1.563 1.00 0.00 H new ATOM 1438 N TYR A 95 7.776 1.092 -2.863 1.00 0.00 N ATOM 1439 CA TYR A 95 6.650 1.996 -2.703 1.00 0.00 C ATOM 1440 C TYR A 95 6.411 2.316 -1.226 1.00 0.00 C ATOM 1441 O TYR A 95 6.767 1.529 -0.351 1.00 0.00 O ATOM 1442 CB TYR A 95 5.431 1.254 -3.256 1.00 0.00 C ATOM 1443 CG TYR A 95 5.466 1.042 -4.770 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.000 2.029 -5.616 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.964 -0.135 -5.291 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.033 1.830 -7.042 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.996 -0.334 -6.717 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.530 0.658 -7.522 1.00 0.00 C ATOM 1449 OH TYR A 95 5.561 0.470 -8.869 1.00 0.00 O ATOM 0 H TYR A 95 7.683 0.204 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 95 6.836 2.937 -3.221 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.356 0.284 -2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.531 1.812 -2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.611 2.950 -5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.330 -0.907 -4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.672 2.594 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.382 -1.251 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 95 5.426 1.328 -9.322 1.00 0.00 H new ATOM 1459 N LEU A 96 5.808 3.473 -0.995 1.00 0.00 N ATOM 1460 CA LEU A 96 5.517 3.907 0.361 1.00 0.00 C ATOM 1461 C LEU A 96 4.004 4.070 0.526 1.00 0.00 C ATOM 1462 O LEU A 96 3.373 4.825 -0.212 1.00 0.00 O ATOM 1463 CB LEU A 96 6.311 5.170 0.702 1.00 0.00 C ATOM 1464 CG LEU A 96 7.748 4.949 1.179 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.441 6.282 1.468 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.787 4.009 2.386 1.00 0.00 C ATOM 0 H LEU A 96 5.513 4.123 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 96 5.838 3.152 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.336 5.809 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.772 5.716 1.476 1.00 0.00 H new ATOM 0 HG LEU A 96 8.304 4.465 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.461 6.096 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.463 6.885 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.893 6.816 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.820 3.869 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.211 4.442 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.358 3.045 2.111 1.00 0.00 H new ATOM 1478 N PHE A 97 3.466 3.348 1.499 1.00 0.00 N ATOM 1479 CA PHE A 97 2.040 3.403 1.770 1.00 0.00 C ATOM 1480 C PHE A 97 1.771 3.875 3.200 1.00 0.00 C ATOM 1481 O PHE A 97 2.516 3.538 4.119 1.00 0.00 O ATOM 1482 CB PHE A 97 1.498 1.982 1.605 1.00 0.00 C ATOM 1483 CG PHE A 97 1.650 1.418 0.190 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.796 1.811 -0.793 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.638 0.525 -0.084 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.936 1.288 -2.106 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.778 0.003 -1.397 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.925 0.395 -2.380 1.00 0.00 C ATOM 0 H PHE A 97 3.992 2.722 2.109 1.00 0.00 H new ATOM 0 HA PHE A 97 1.559 4.104 1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.013 1.324 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.443 1.973 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.012 2.521 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.316 0.213 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.258 1.599 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.563 -0.706 -1.615 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.032 -0.002 -3.378 1.00 0.00 H new ATOM 1498 N GLN A 98 0.705 4.649 3.343 1.00 0.00 N ATOM 1499 CA GLN A 98 0.329 5.171 4.646 1.00 0.00 C ATOM 1500 C GLN A 98 -1.068 4.681 5.031 1.00 0.00 C ATOM 1501 O GLN A 98 -2.063 5.108 4.445 1.00 0.00 O ATOM 1502 CB GLN A 98 0.399 6.699 4.665 1.00 0.00 C ATOM 1503 CG GLN A 98 0.058 7.246 6.053 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.457 8.684 5.964 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.440 9.313 4.919 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.915 9.167 7.115 1.00 0.00 N ATOM 0 H GLN A 98 0.090 4.927 2.578 1.00 0.00 H new ATOM 0 HA GLN A 98 1.039 4.798 5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.399 7.024 4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.293 7.108 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.696 6.614 6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.943 7.211 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.900 8.586 7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.281 10.118 7.159 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.100 3.792 6.013 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.359 3.240 6.482 1.00 0.00 C ATOM 1517 C ALA A 99 -3.109 4.304 7.287 1.00 0.00 C ATOM 1518 O ALA A 99 -2.581 5.388 7.533 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.089 1.975 7.299 1.00 0.00 C ATOM 0 H ALA A 99 -0.274 3.440 6.497 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.991 2.956 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.034 1.561 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.581 1.240 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.460 2.222 8.154 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.327 3.957 7.675 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.155 4.868 8.447 1.00 0.00 C ATOM 1527 C LYS A 100 -4.712 4.837 9.911 1.00 0.00 C ATOM 1528 O LYS A 100 -4.896 5.811 10.640 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.637 4.547 8.245 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.047 3.317 9.058 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.464 3.474 9.613 1.00 0.00 C ATOM 1532 CE LYS A 100 -9.366 2.330 9.145 1.00 0.00 C ATOM 1533 NZ LYS A 100 -10.724 2.474 9.716 1.00 0.00 N ATOM 0 H LYS A 100 -4.761 3.057 7.469 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.024 5.892 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.242 5.403 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.834 4.371 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.995 2.428 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.345 3.169 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.432 3.494 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.882 4.427 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.421 2.325 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.938 1.374 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.323 1.690 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.668 2.456 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.137 3.377 9.407 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.137 3.708 10.298 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.666 3.537 11.662 1.00 0.00 C ATOM 1549 C ASP A 101 -2.728 2.330 11.725 1.00 0.00 C ATOM 1550 O ASP A 101 -2.441 1.708 10.704 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.833 3.280 12.618 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.809 4.448 12.776 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -6.675 4.587 11.886 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.666 5.175 13.783 1.00 0.00 O ATOM 0 H ASP A 101 -3.987 2.902 9.691 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.151 4.450 11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.386 2.409 12.266 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.431 3.027 13.599 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.276 2.035 12.936 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.376 0.914 13.146 1.00 0.00 C ATOM 1561 C GLU A 102 -2.039 -0.390 12.697 1.00 0.00 C ATOM 1562 O GLU A 102 -1.355 -1.339 12.317 1.00 0.00 O ATOM 1563 CB GLU A 102 -0.937 0.830 14.609 1.00 0.00 C ATOM 1564 CG GLU A 102 0.071 1.931 14.943 1.00 0.00 C ATOM 1565 CD GLU A 102 0.894 1.565 16.180 1.00 0.00 C ATOM 1566 OE1 GLU A 102 1.893 0.836 16.001 1.00 0.00 O ATOM 1567 OE2 GLU A 102 0.504 2.021 17.277 1.00 0.00 O ATOM 0 H GLU A 102 -2.517 2.553 13.781 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.483 1.072 12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.807 0.919 15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.493 -0.146 14.804 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.736 2.090 14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.455 2.870 15.117 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.363 -0.394 12.755 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.125 -1.566 12.359 1.00 0.00 C ATOM 1576 C ALA A 103 -4.015 -1.752 10.844 1.00 0.00 C ATOM 1577 O ALA A 103 -3.348 -2.674 10.375 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.575 -1.413 12.824 1.00 0.00 C ATOM 0 H ALA A 103 -3.927 0.395 13.070 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.724 -2.463 12.831 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.147 -2.292 12.527 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.600 -1.313 13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.012 -0.525 12.367 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.680 -0.863 10.121 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.665 -0.919 8.669 1.00 0.00 C ATOM 1586 C GLU A 104 -3.265 -1.274 8.165 1.00 0.00 C ATOM 1587 O GLU A 104 -3.113 -2.132 7.297 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.146 0.403 8.065 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.278 0.294 6.545 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.748 0.216 6.127 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.281 -0.914 6.133 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.306 1.289 5.811 1.00 0.00 O ATOM 0 H GLU A 104 -5.232 -0.100 10.513 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.354 -1.700 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.108 0.677 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.445 1.199 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.807 1.156 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.748 -0.591 6.193 1.00 0.00 H new ATOM 1599 N MET A 105 -2.277 -0.597 8.732 1.00 0.00 N ATOM 1600 CA MET A 105 -0.894 -0.831 8.351 1.00 0.00 C ATOM 1601 C MET A 105 -0.477 -2.271 8.658 1.00 0.00 C ATOM 1602 O MET A 105 -0.246 -3.061 7.744 1.00 0.00 O ATOM 1603 CB MET A 105 0.015 0.137 9.111 1.00 0.00 C ATOM 1604 CG MET A 105 1.314 0.387 8.342 1.00 0.00 C ATOM 1605 SD MET A 105 2.567 1.013 9.448 1.00 0.00 S ATOM 1606 CE MET A 105 3.132 -0.516 10.174 1.00 0.00 C ATOM 0 H MET A 105 -2.407 0.114 9.452 1.00 0.00 H new ATOM 0 HA MET A 105 -0.799 -0.666 7.278 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.505 1.081 9.270 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.244 -0.270 10.096 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.656 -0.538 7.879 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.138 1.101 7.537 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.081 -0.348 10.683 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.393 -0.873 10.892 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.267 -1.262 9.391 1.00 0.00 H new ATOM 1616 N SER A 106 -0.395 -2.568 9.946 1.00 0.00 N ATOM 1617 CA SER A 106 -0.010 -3.898 10.384 1.00 0.00 C ATOM 1618 C SER A 106 -0.748 -4.955 9.560 1.00 0.00 C ATOM 1619 O SER A 106 -0.132 -5.883 9.038 1.00 0.00 O ATOM 1620 CB SER A 106 -0.296 -4.092 11.875 1.00 0.00 C ATOM 1621 OG SER A 106 -0.181 -5.457 12.267 1.00 0.00 O ATOM 0 H SER A 106 -0.589 -1.910 10.701 1.00 0.00 H new ATOM 0 HA SER A 106 1.063 -4.011 10.230 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.398 -3.487 12.459 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.300 -3.733 12.101 1.00 0.00 H new ATOM 0 HG SER A 106 -0.369 -5.539 13.225 1.00 0.00 H new ATOM 1627 N SER A 107 -2.058 -4.778 9.469 1.00 0.00 N ATOM 1628 CA SER A 107 -2.888 -5.705 8.717 1.00 0.00 C ATOM 1629 C SER A 107 -2.330 -5.877 7.303 1.00 0.00 C ATOM 1630 O SER A 107 -2.041 -6.995 6.877 1.00 0.00 O ATOM 1631 CB SER A 107 -4.339 -5.223 8.660 1.00 0.00 C ATOM 1632 OG SER A 107 -5.225 -6.118 9.327 1.00 0.00 O ATOM 0 H SER A 107 -2.565 -4.007 9.903 1.00 0.00 H new ATOM 0 HA SER A 107 -2.873 -6.668 9.226 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.411 -4.235 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.646 -5.118 7.619 1.00 0.00 H new ATOM 0 HG SER A 107 -6.141 -5.775 9.270 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.194 -4.754 6.613 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.676 -4.767 5.256 1.00 0.00 C ATOM 1640 C TRP A 108 -0.496 -5.740 5.209 1.00 0.00 C ATOM 1641 O TRP A 108 -0.551 -6.755 4.518 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.306 -3.355 4.797 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.426 -2.629 4.050 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.126 -1.558 4.450 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.952 -2.967 2.749 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.060 -1.183 3.506 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.951 -2.067 2.439 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.596 -4.000 1.864 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.675 -2.108 1.242 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.329 -4.027 0.672 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.337 -3.128 0.344 1.00 0.00 C ATOM 0 H TRP A 108 -2.434 -3.829 6.969 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.438 -5.110 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.022 -2.764 5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.430 -3.412 4.151 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.978 -1.052 5.393 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.711 -0.401 3.578 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.819 -4.716 2.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.453 -1.391 1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.095 -4.801 -0.044 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.857 -3.216 -0.599 1.00 0.00 H new ATOM 1662 N LEU A 109 0.543 -5.395 5.955 1.00 0.00 N ATOM 1663 CA LEU A 109 1.735 -6.225 6.008 1.00 0.00 C ATOM 1664 C LEU A 109 1.323 -7.694 6.124 1.00 0.00 C ATOM 1665 O LEU A 109 1.747 -8.526 5.323 1.00 0.00 O ATOM 1666 CB LEU A 109 2.665 -5.756 7.129 1.00 0.00 C ATOM 1667 CG LEU A 109 3.530 -4.534 6.816 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.829 -4.945 6.119 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.747 -3.501 6.004 1.00 0.00 C ATOM 0 H LEU A 109 0.584 -4.552 6.528 1.00 0.00 H new ATOM 0 HA LEU A 109 2.310 -6.127 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.059 -5.532 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.323 -6.583 7.398 1.00 0.00 H new ATOM 0 HG LEU A 109 3.806 -4.061 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.425 -4.057 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.393 -5.615 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.595 -5.455 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.385 -2.643 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.421 -3.948 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.876 -3.176 6.573 1.00 0.00 H new ATOM 1681 N ARG A 110 0.502 -7.968 7.127 1.00 0.00 N ATOM 1682 CA ARG A 110 0.028 -9.322 7.358 1.00 0.00 C ATOM 1683 C ARG A 110 -0.600 -9.889 6.083 1.00 0.00 C ATOM 1684 O ARG A 110 -0.498 -11.085 5.816 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.003 -9.359 8.487 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.747 -10.696 8.506 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.496 -10.889 9.826 1.00 0.00 C ATOM 1688 NE ARG A 110 -2.776 -12.325 10.044 1.00 0.00 N ATOM 1689 CZ ARG A 110 -3.809 -12.981 9.498 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.667 -12.332 8.699 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -3.985 -14.284 9.752 1.00 0.00 N ATOM 0 H ARG A 110 0.153 -7.275 7.789 1.00 0.00 H new ATOM 0 HA ARG A 110 0.886 -9.930 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.505 -9.202 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.716 -8.544 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.451 -10.736 7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.039 -11.512 8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.902 -10.497 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.430 -10.327 9.809 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.143 -12.849 10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.534 -11.339 8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.454 -12.831 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.333 -14.777 10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.771 -14.783 9.336 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.235 -9.003 5.330 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.880 -9.400 4.090 1.00 0.00 C ATOM 1707 C VAL A 111 -0.829 -9.501 2.983 1.00 0.00 C ATOM 1708 O VAL A 111 -0.648 -10.563 2.388 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.011 -8.427 3.753 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.849 -8.944 2.582 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.888 -8.160 4.978 1.00 0.00 C ATOM 0 H VAL A 111 -1.317 -8.011 5.555 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.337 -10.384 4.196 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.560 -7.482 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.646 -8.233 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.214 -9.059 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.285 -9.908 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.684 -7.465 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.325 -9.097 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.281 -7.727 5.773 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.162 -8.382 2.741 1.00 0.00 N ATOM 1722 CA VAL A 112 0.867 -8.332 1.716 1.00 0.00 C ATOM 1723 C VAL A 112 1.798 -9.535 1.874 1.00 0.00 C ATOM 1724 O VAL A 112 2.264 -10.098 0.884 1.00 0.00 O ATOM 1725 CB VAL A 112 1.605 -6.993 1.781 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.750 -6.948 0.768 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.640 -5.824 1.569 1.00 0.00 C ATOM 0 H VAL A 112 -0.314 -7.504 3.237 1.00 0.00 H new ATOM 0 HA VAL A 112 0.420 -8.395 0.724 1.00 0.00 H new ATOM 0 HB VAL A 112 2.035 -6.896 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.258 -5.986 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.458 -7.748 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.351 -7.078 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.190 -4.884 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.167 -5.915 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.126 -5.839 2.345 1.00 0.00 H new ATOM 1737 N ASN A 113 2.041 -9.895 3.126 1.00 0.00 N ATOM 1738 CA ASN A 113 2.908 -11.022 3.426 1.00 0.00 C ATOM 1739 C ASN A 113 2.186 -12.324 3.073 1.00 0.00 C ATOM 1740 O ASN A 113 2.810 -13.280 2.616 1.00 0.00 O ATOM 1741 CB ASN A 113 3.260 -11.065 4.914 1.00 0.00 C ATOM 1742 CG ASN A 113 4.560 -10.308 5.192 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.624 -10.650 4.703 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.416 -9.265 6.004 1.00 0.00 N ATOM 0 H ASN A 113 1.653 -9.426 3.944 1.00 0.00 H new ATOM 0 HA ASN A 113 3.822 -10.909 2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.449 -10.628 5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.362 -12.101 5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.226 -8.696 6.252 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.496 -9.034 6.379 1.00 0.00 H new ATOM 1751 N ALA A 114 0.880 -12.318 3.297 1.00 0.00 N ATOM 1752 CA ALA A 114 0.066 -13.487 3.008 1.00 0.00 C ATOM 1753 C ALA A 114 -0.063 -13.651 1.493 1.00 0.00 C ATOM 1754 O ALA A 114 -0.443 -14.717 1.010 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.292 -13.346 3.698 1.00 0.00 C ATOM 0 H ALA A 114 0.365 -11.523 3.675 1.00 0.00 H new ATOM 0 HA ALA A 114 0.537 -14.389 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.903 -14.222 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.146 -13.262 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.796 -12.452 3.330 1.00 0.00 H new ATOM 1761 N ALA A 115 0.260 -12.579 0.784 1.00 0.00 N ATOM 1762 CA ALA A 115 0.184 -12.591 -0.667 1.00 0.00 C ATOM 1763 C ALA A 115 1.549 -12.974 -1.242 1.00 0.00 C ATOM 1764 O ALA A 115 1.634 -13.788 -2.159 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.296 -11.225 -1.164 1.00 0.00 C ATOM 0 H ALA A 115 0.575 -11.697 1.187 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.537 -13.334 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.353 -11.233 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.282 -11.013 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.405 -10.454 -0.843 1.00 0.00 H new ATOM 1771 N ILE A 116 2.584 -12.368 -0.678 1.00 0.00 N ATOM 1772 CA ILE A 116 3.941 -12.636 -1.122 1.00 0.00 C ATOM 1773 C ILE A 116 4.215 -14.138 -1.034 1.00 0.00 C ATOM 1774 O ILE A 116 4.550 -14.772 -2.033 1.00 0.00 O ATOM 1775 CB ILE A 116 4.940 -11.781 -0.340 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.857 -10.313 -0.765 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.359 -12.337 -0.471 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.424 -9.395 0.320 1.00 0.00 C ATOM 0 H ILE A 116 2.510 -11.692 0.083 1.00 0.00 H new ATOM 0 HA ILE A 116 4.063 -12.351 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 116 4.674 -11.825 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.409 -10.168 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.819 -10.047 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.049 -11.710 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.389 -13.354 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.652 -12.343 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.353 -8.358 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.855 -9.525 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.469 -9.648 0.501 1.00 0.00 H new ATOM 1790 N ALA A 117 4.064 -14.665 0.173 1.00 0.00 N ATOM 1791 CA ALA A 117 4.291 -16.081 0.405 1.00 0.00 C ATOM 1792 C ALA A 117 3.492 -16.895 -0.614 1.00 0.00 C ATOM 1793 O ALA A 117 4.068 -17.611 -1.431 1.00 0.00 O ATOM 1794 CB ALA A 117 3.920 -16.428 1.848 1.00 0.00 C ATOM 0 H ALA A 117 3.787 -14.136 1.000 1.00 0.00 H new ATOM 0 HA ALA A 117 5.344 -16.328 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.090 -17.490 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.536 -15.845 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.869 -16.196 2.019 1.00 0.00 H new ATOM 1800 N SER A 118 2.176 -16.759 -0.532 1.00 0.00 N ATOM 1801 CA SER A 118 1.292 -17.473 -1.438 1.00 0.00 C ATOM 1802 C SER A 118 1.806 -17.354 -2.874 1.00 0.00 C ATOM 1803 O SER A 118 2.089 -18.361 -3.521 1.00 0.00 O ATOM 1804 CB SER A 118 -0.140 -16.943 -1.341 1.00 0.00 C ATOM 1805 OG SER A 118 -1.104 -17.989 -1.430 1.00 0.00 O ATOM 0 H SER A 118 1.701 -16.165 0.148 1.00 0.00 H new ATOM 0 HA SER A 118 1.282 -18.524 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.267 -16.412 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.314 -16.221 -2.139 1.00 0.00 H new ATOM 0 HG SER A 118 -1.377 -18.260 -0.529 1.00 0.00 H new ATOM 1811 N GLY A 119 1.911 -16.114 -3.330 1.00 0.00 N ATOM 1812 CA GLY A 119 2.386 -15.851 -4.678 1.00 0.00 C ATOM 1813 C GLY A 119 1.217 -15.592 -5.630 1.00 0.00 C ATOM 1814 O GLY A 119 0.076 -15.935 -5.325 1.00 0.00 O ATOM 0 H GLY A 119 1.675 -15.281 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 119 3.052 -14.988 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.969 -16.700 -5.034 1.00 0.00 H new ATOM 1818 N PRO A 120 1.550 -14.974 -6.795 1.00 0.00 N ATOM 1819 CA PRO A 120 0.542 -14.666 -7.794 1.00 0.00 C ATOM 1820 C PRO A 120 0.111 -15.927 -8.546 1.00 0.00 C ATOM 1821 O PRO A 120 0.509 -16.138 -9.691 1.00 0.00 O ATOM 1822 CB PRO A 120 1.186 -13.627 -8.697 1.00 0.00 C ATOM 1823 CG PRO A 120 2.683 -13.734 -8.452 1.00 0.00 C ATOM 1824 CD PRO A 120 2.892 -14.554 -7.190 1.00 0.00 C ATOM 0 HA PRO A 120 -0.378 -14.278 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 120 0.947 -13.817 -9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 120 0.822 -12.626 -8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 120 3.176 -14.208 -9.301 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.123 -12.743 -8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 120 3.537 -15.413 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 120 3.368 -13.963 -6.408 1.00 0.00 H new ATOM 1832 N SER A 121 -0.695 -16.734 -7.872 1.00 0.00 N ATOM 1833 CA SER A 121 -1.184 -17.968 -8.462 1.00 0.00 C ATOM 1834 C SER A 121 -2.098 -17.656 -9.648 1.00 0.00 C ATOM 1835 O SER A 121 -2.967 -16.790 -9.555 1.00 0.00 O ATOM 1836 CB SER A 121 -1.927 -18.817 -7.428 1.00 0.00 C ATOM 1837 OG SER A 121 -1.126 -19.081 -6.279 1.00 0.00 O ATOM 0 H SER A 121 -1.022 -16.557 -6.922 1.00 0.00 H new ATOM 0 HA SER A 121 -0.326 -18.541 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.839 -18.302 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 121 -2.230 -19.760 -7.883 1.00 0.00 H new ATOM 0 HG SER A 121 -1.636 -19.624 -5.642 1.00 0.00 H new ATOM 1843 N SER A 122 -1.871 -18.377 -10.736 1.00 0.00 N ATOM 1844 CA SER A 122 -2.664 -18.187 -11.939 1.00 0.00 C ATOM 1845 C SER A 122 -3.064 -19.544 -12.521 1.00 0.00 C ATOM 1846 O SER A 122 -2.473 -20.568 -12.181 1.00 0.00 O ATOM 1847 CB SER A 122 -1.898 -17.368 -12.979 1.00 0.00 C ATOM 1848 OG SER A 122 -0.668 -17.987 -13.347 1.00 0.00 O ATOM 0 H SER A 122 -1.149 -19.094 -10.810 1.00 0.00 H new ATOM 0 HA SER A 122 -3.564 -17.634 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.518 -17.238 -13.866 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.698 -16.373 -12.581 1.00 0.00 H new ATOM 0 HG SER A 122 -0.210 -17.434 -14.014 1.00 0.00 H new ATOM 1854 N GLY A 123 -4.064 -19.508 -13.390 1.00 0.00 N ATOM 1855 CA GLY A 123 -4.549 -20.723 -14.023 1.00 0.00 C ATOM 1856 C GLY A 123 -5.354 -20.400 -15.283 1.00 0.00 C ATOM 1857 O GLY A 123 -5.830 -21.303 -15.968 1.00 0.00 O ATOM 0 H GLY A 123 -4.551 -18.657 -13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.706 -21.365 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.171 -21.279 -13.322 1.00 0.00 H new TER 1861 GLY A 123