USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 21 CYS H : A 21 CYS N : A 121 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 70 TRP H : A 70 TRP N : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VA : A 121 RCY C1V : A 19 GLY CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1LA : A 121 RCY C1L : A 20 PRO O :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 20 PRO CD :(H bumps) USER MOD NoAdj-H: A 121 RCY H1V : A 121 RCY C1V : A 19 GLY C :(H bumps) USER MOD NoAdj-H: A 121 RCY H1M : A 121 RCY C1M : A 19 GLY O :(H bumps) USER MOD NoAdj-H: A 121 RCY H1C : A 121 RCY C1C : A 20 PRO CD :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 33 ARG CD :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 150 RCY O1H :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1L : A 150 RCY C1L : A 150 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 168 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 70 TRP CG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 70 TRP CG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 69 PRO O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -2.22! C(o=-3.7!,f=-20!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -2.06 K(o=-3.7,f=-8.1!) USER MOD Set 1.3: A 84 TYR OH : rot 80:sc= 0.577 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.115) USER MOD Set 2.2: A 57 MET CE :methyl 179:sc= -0.0727 (180deg=-0.0748) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.815 (180deg=-0.962) USER MOD Single : A 2 ASN : amide:sc= -0.837 K(o=-0.84,f=-9.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -32:sc= 0.121 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 17 MET CE :methyl -148:sc= -0.298 (180deg=-1.57!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00496 USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.287) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= -0.203 (180deg=-1.43!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -51:sc= 0.192! USER MOD Single : A 37 GLN : amide:sc= -2.01! C(o=-2!,f=-6.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.126 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= -0.0745 (180deg=-0.146) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.125 (180deg=-0.892) USER MOD Single : A 48 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.0972 F(o=-2.4!,f=-0.097) USER MOD Single : A 83 GLN : amide:sc= -25.5! C(o=-26!,f=-32!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.143 -8.459 -4.559 1.00 1.00 N ATOM 2 CA MET A 1 52.257 -7.505 -5.283 1.00 1.00 C ATOM 3 C MET A 1 51.299 -6.844 -4.289 1.00 1.00 C ATOM 4 O MET A 1 50.626 -5.884 -4.606 1.00 1.00 O ATOM 5 CB MET A 1 51.452 -8.260 -6.343 1.00 1.00 C ATOM 6 CG MET A 1 50.482 -9.224 -5.657 1.00 1.00 C ATOM 7 SD MET A 1 49.892 -10.442 -6.859 1.00 1.00 S ATOM 8 CE MET A 1 51.178 -11.683 -6.575 1.00 1.00 C ATOM 0 H1 MET A 1 53.699 -9.006 -5.247 1.00 1.00 H new ATOM 0 H2 MET A 1 53.786 -7.931 -3.935 1.00 1.00 H new ATOM 0 H3 MET A 1 52.563 -9.107 -3.989 1.00 1.00 H new ATOM 0 HA MET A 1 52.865 -6.740 -5.766 1.00 1.00 H new ATOM 0 HB2 MET A 1 50.901 -7.556 -6.967 1.00 1.00 H new ATOM 0 HB3 MET A 1 52.124 -8.811 -7.001 1.00 1.00 H new ATOM 0 HG2 MET A 1 50.978 -9.727 -4.827 1.00 1.00 H new ATOM 0 HG3 MET A 1 49.640 -8.673 -5.238 1.00 1.00 H new ATOM 0 HE1 MET A 1 51.007 -12.540 -7.226 1.00 1.00 H new ATOM 0 HE2 MET A 1 52.155 -11.251 -6.793 1.00 1.00 H new ATOM 0 HE3 MET A 1 51.148 -12.006 -5.534 1.00 1.00 H new ATOM 17 N ASN A 2 51.234 -7.351 -3.088 1.00 1.00 N ATOM 18 CA ASN A 2 50.320 -6.752 -2.076 1.00 1.00 C ATOM 19 C ASN A 2 50.575 -7.401 -0.714 1.00 1.00 C ATOM 20 O ASN A 2 51.574 -8.061 -0.507 1.00 1.00 O ATOM 21 CB ASN A 2 48.865 -6.991 -2.499 1.00 1.00 C ATOM 22 CG ASN A 2 47.975 -5.894 -1.912 1.00 1.00 C ATOM 23 OD1 ASN A 2 48.344 -5.243 -0.954 1.00 1.00 O ATOM 24 ND2 ASN A 2 46.809 -5.659 -2.449 1.00 1.00 N ATOM 0 H ASN A 2 51.774 -8.154 -2.765 1.00 1.00 H new ATOM 0 HA ASN A 2 50.504 -5.680 -2.005 1.00 1.00 H new ATOM 0 HB2 ASN A 2 48.787 -6.994 -3.586 1.00 1.00 H new ATOM 0 HB3 ASN A 2 48.531 -7.969 -2.153 1.00 1.00 H new ATOM 0 HD21 ASN A 2 46.208 -4.930 -2.065 1.00 1.00 H new ATOM 0 HD22 ASN A 2 46.498 -6.205 -3.253 1.00 1.00 H new ATOM 31 N LEU A 3 49.678 -7.221 0.217 1.00 1.00 N ATOM 32 CA LEU A 3 49.870 -7.829 1.565 1.00 1.00 C ATOM 33 C LEU A 3 49.901 -9.356 1.440 1.00 1.00 C ATOM 34 O LEU A 3 49.937 -10.067 2.425 1.00 1.00 O ATOM 35 CB LEU A 3 48.714 -7.416 2.484 1.00 1.00 C ATOM 36 CG LEU A 3 48.971 -6.011 3.032 1.00 1.00 C ATOM 37 CD1 LEU A 3 48.850 -4.991 1.898 1.00 1.00 C ATOM 38 CD2 LEU A 3 47.941 -5.691 4.116 1.00 1.00 C ATOM 0 H LEU A 3 48.821 -6.680 0.103 1.00 1.00 H new ATOM 0 HA LEU A 3 50.812 -7.480 1.987 1.00 1.00 H new ATOM 0 HB2 LEU A 3 47.773 -7.436 1.934 1.00 1.00 H new ATOM 0 HB3 LEU A 3 48.618 -8.126 3.306 1.00 1.00 H new ATOM 0 HG LEU A 3 49.974 -5.965 3.457 1.00 1.00 H new ATOM 0 HD11 LEU A 3 49.033 -3.990 2.288 1.00 1.00 H new ATOM 0 HD12 LEU A 3 49.583 -5.219 1.124 1.00 1.00 H new ATOM 0 HD13 LEU A 3 47.847 -5.037 1.473 1.00 1.00 H new ATOM 0 HD21 LEU A 3 48.123 -4.690 4.507 1.00 1.00 H new ATOM 0 HD22 LEU A 3 46.939 -5.737 3.690 1.00 1.00 H new ATOM 0 HD23 LEU A 3 48.026 -6.417 4.924 1.00 1.00 H new ATOM 50 N GLU A 4 49.888 -9.867 0.238 1.00 1.00 N ATOM 51 CA GLU A 4 49.918 -11.347 0.059 1.00 1.00 C ATOM 52 C GLU A 4 51.050 -11.934 0.916 1.00 1.00 C ATOM 53 O GLU A 4 52.183 -11.506 0.818 1.00 1.00 O ATOM 54 CB GLU A 4 50.175 -11.670 -1.416 1.00 1.00 C ATOM 55 CG GLU A 4 49.905 -13.154 -1.670 1.00 1.00 C ATOM 56 CD GLU A 4 51.042 -13.989 -1.077 1.00 1.00 C ATOM 57 OE1 GLU A 4 52.181 -13.749 -1.444 1.00 1.00 O ATOM 58 OE2 GLU A 4 50.755 -14.854 -0.266 1.00 1.00 O ATOM 0 H GLU A 4 49.858 -9.325 -0.626 1.00 1.00 H new ATOM 0 HA GLU A 4 48.965 -11.778 0.366 1.00 1.00 H new ATOM 0 HB2 GLU A 4 49.532 -11.059 -2.050 1.00 1.00 H new ATOM 0 HB3 GLU A 4 51.205 -11.427 -1.678 1.00 1.00 H new ATOM 0 HG2 GLU A 4 48.955 -13.444 -1.221 1.00 1.00 H new ATOM 0 HG3 GLU A 4 49.822 -13.341 -2.741 1.00 1.00 H new ATOM 65 N PRO A 5 50.758 -12.902 1.754 1.00 1.00 N ATOM 66 CA PRO A 5 51.783 -13.533 2.631 1.00 1.00 C ATOM 67 C PRO A 5 53.122 -13.736 1.908 1.00 1.00 C ATOM 68 O PRO A 5 53.170 -13.832 0.698 1.00 1.00 O ATOM 69 CB PRO A 5 51.152 -14.876 2.995 1.00 1.00 C ATOM 70 CG PRO A 5 49.679 -14.623 2.976 1.00 1.00 C ATOM 71 CD PRO A 5 49.430 -13.503 1.958 1.00 1.00 C ATOM 0 HA PRO A 5 52.024 -12.915 3.496 1.00 1.00 H new ATOM 0 HB2 PRO A 5 51.430 -15.650 2.280 1.00 1.00 H new ATOM 0 HB3 PRO A 5 51.483 -15.215 3.977 1.00 1.00 H new ATOM 0 HG2 PRO A 5 49.136 -15.526 2.697 1.00 1.00 H new ATOM 0 HG3 PRO A 5 49.325 -14.331 3.965 1.00 1.00 H new ATOM 0 HD2 PRO A 5 49.022 -13.895 1.026 1.00 1.00 H new ATOM 0 HD3 PRO A 5 48.715 -12.772 2.336 1.00 1.00 H new ATOM 79 N PRO A 6 54.202 -13.800 2.646 1.00 1.00 N ATOM 80 CA PRO A 6 55.564 -13.994 2.067 1.00 1.00 C ATOM 81 C PRO A 6 55.795 -15.434 1.593 1.00 1.00 C ATOM 82 O PRO A 6 55.186 -16.364 2.083 1.00 1.00 O ATOM 83 CB PRO A 6 56.498 -13.657 3.231 1.00 1.00 C ATOM 84 CG PRO A 6 55.710 -13.969 4.459 1.00 1.00 C ATOM 85 CD PRO A 6 54.243 -13.698 4.114 1.00 1.00 C ATOM 0 HA PRO A 6 55.723 -13.375 1.184 1.00 1.00 H new ATOM 0 HB2 PRO A 6 57.412 -14.249 3.188 1.00 1.00 H new ATOM 0 HB3 PRO A 6 56.795 -12.609 3.208 1.00 1.00 H new ATOM 0 HG2 PRO A 6 55.853 -15.007 4.758 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.033 -13.349 5.295 1.00 1.00 H new ATOM 0 HD2 PRO A 6 53.581 -14.425 4.584 1.00 1.00 H new ATOM 0 HD3 PRO A 6 53.927 -12.712 4.455 1.00 1.00 H new ATOM 93 N LYS A 7 56.675 -15.621 0.647 1.00 1.00 N ATOM 94 CA LYS A 7 56.950 -16.997 0.144 1.00 1.00 C ATOM 95 C LYS A 7 58.095 -16.947 -0.869 1.00 1.00 C ATOM 96 O LYS A 7 58.583 -17.964 -1.321 1.00 1.00 O ATOM 97 CB LYS A 7 55.696 -17.558 -0.530 1.00 1.00 C ATOM 98 CG LYS A 7 55.148 -16.533 -1.525 1.00 1.00 C ATOM 99 CD LYS A 7 54.129 -17.209 -2.446 1.00 1.00 C ATOM 100 CE LYS A 7 53.672 -16.217 -3.517 1.00 1.00 C ATOM 101 NZ LYS A 7 52.972 -16.952 -4.607 1.00 1.00 N ATOM 0 H LYS A 7 57.215 -14.880 0.201 1.00 1.00 H new ATOM 0 HA LYS A 7 57.229 -17.640 0.979 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.933 -18.489 -1.045 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.941 -17.792 0.220 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.679 -15.707 -0.991 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.962 -16.111 -2.114 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.573 -18.087 -2.915 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.273 -17.555 -1.867 1.00 1.00 H new ATOM 0 HE2 LYS A 7 53.006 -15.474 -3.079 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.530 -15.679 -3.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 52.661 -16.278 -5.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 53.621 -17.645 -5.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 52.144 -17.446 -4.217 1.00 1.00 H new ATOM 115 N ALA A 8 58.528 -15.769 -1.229 1.00 1.00 N ATOM 116 CA ALA A 8 59.641 -15.652 -2.212 1.00 1.00 C ATOM 117 C ALA A 8 60.941 -16.150 -1.576 1.00 1.00 C ATOM 118 O ALA A 8 61.314 -15.736 -0.497 1.00 1.00 O ATOM 119 CB ALA A 8 59.804 -14.188 -2.625 1.00 1.00 C ATOM 0 H ALA A 8 58.159 -14.883 -0.884 1.00 1.00 H new ATOM 0 HA ALA A 8 59.413 -16.255 -3.091 1.00 1.00 H new ATOM 0 HB1 ALA A 8 60.618 -14.101 -3.344 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.879 -13.833 -3.079 1.00 1.00 H new ATOM 0 HB3 ALA A 8 60.031 -13.585 -1.746 1.00 1.00 H new ATOM 125 N GLU A 9 61.633 -17.038 -2.237 1.00 1.00 N ATOM 126 CA GLU A 9 62.907 -17.563 -1.671 1.00 1.00 C ATOM 127 C GLU A 9 63.939 -16.434 -1.591 1.00 1.00 C ATOM 128 O GLU A 9 65.095 -16.658 -1.294 1.00 1.00 O ATOM 129 CB GLU A 9 63.442 -18.691 -2.562 1.00 1.00 C ATOM 130 CG GLU A 9 63.787 -18.135 -3.945 1.00 1.00 C ATOM 131 CD GLU A 9 62.507 -17.668 -4.641 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.563 -18.440 -4.683 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.493 -16.546 -5.121 1.00 1.00 O ATOM 0 H GLU A 9 61.371 -17.422 -3.145 1.00 1.00 H new ATOM 0 HA GLU A 9 62.723 -17.953 -0.670 1.00 1.00 H new ATOM 0 HB2 GLU A 9 64.326 -19.138 -2.108 1.00 1.00 H new ATOM 0 HB3 GLU A 9 62.696 -19.481 -2.652 1.00 1.00 H new ATOM 0 HG2 GLU A 9 64.486 -17.304 -3.851 1.00 1.00 H new ATOM 0 HG3 GLU A 9 64.281 -18.901 -4.544 1.00 1.00 H new ATOM 140 N CYS A 10 63.531 -15.222 -1.855 1.00 1.00 N ATOM 141 CA CYS A 10 64.490 -14.084 -1.795 1.00 1.00 C ATOM 142 C CYS A 10 65.709 -14.398 -2.664 1.00 1.00 C ATOM 143 O CYS A 10 66.805 -14.580 -2.172 1.00 1.00 O ATOM 144 CB CYS A 10 64.939 -13.869 -0.347 1.00 1.00 C ATOM 145 SG CYS A 10 63.486 -13.672 0.714 1.00 1.00 S ATOM 0 H CYS A 10 62.575 -14.972 -2.109 1.00 1.00 H new ATOM 0 HA CYS A 10 64.004 -13.180 -2.163 1.00 1.00 H new ATOM 0 HB2 CYS A 10 65.536 -14.717 -0.011 1.00 1.00 H new ATOM 0 HB3 CYS A 10 65.574 -12.986 -0.280 1.00 1.00 H new ATOM 150 N ARG A 11 65.528 -14.464 -3.955 1.00 1.00 N ATOM 151 CA ARG A 11 66.678 -14.767 -4.854 1.00 1.00 C ATOM 152 C ARG A 11 67.511 -13.501 -5.060 1.00 1.00 C ATOM 153 O ARG A 11 68.578 -13.350 -4.498 1.00 1.00 O ATOM 154 CB ARG A 11 66.155 -15.260 -6.205 1.00 1.00 C ATOM 155 CG ARG A 11 67.308 -15.862 -7.010 1.00 1.00 C ATOM 156 CD ARG A 11 66.880 -16.030 -8.469 1.00 1.00 C ATOM 157 NE ARG A 11 67.909 -16.822 -9.201 1.00 1.00 N ATOM 158 CZ ARG A 11 69.074 -16.296 -9.459 1.00 1.00 C ATOM 159 NH1 ARG A 11 69.339 -15.077 -9.078 1.00 1.00 N ATOM 160 NH2 ARG A 11 69.975 -16.990 -10.100 1.00 1.00 N ATOM 0 H ARG A 11 64.634 -14.321 -4.426 1.00 1.00 H new ATOM 0 HA ARG A 11 67.298 -15.541 -4.402 1.00 1.00 H new ATOM 0 HB2 ARG A 11 65.374 -16.006 -6.055 1.00 1.00 H new ATOM 0 HB3 ARG A 11 65.705 -14.434 -6.756 1.00 1.00 H new ATOM 0 HG2 ARG A 11 68.184 -15.216 -6.949 1.00 1.00 H new ATOM 0 HG3 ARG A 11 67.593 -16.827 -6.590 1.00 1.00 H new ATOM 0 HD2 ARG A 11 65.914 -16.533 -8.520 1.00 1.00 H new ATOM 0 HD3 ARG A 11 66.756 -15.054 -8.937 1.00 1.00 H new ATOM 0 HE ARG A 11 67.702 -17.775 -9.500 1.00 1.00 H new ATOM 0 HH11 ARG A 11 68.635 -14.535 -8.578 1.00 1.00 H new ATOM 0 HH12 ARG A 11 70.250 -14.666 -9.280 1.00 1.00 H new ATOM 0 HH21 ARG A 11 69.767 -17.943 -10.399 1.00 1.00 H new ATOM 0 HH22 ARG A 11 70.886 -16.579 -10.302 1.00 1.00 H new ATOM 174 N SER A 12 67.033 -12.588 -5.861 1.00 1.00 N ATOM 175 CA SER A 12 67.799 -11.333 -6.101 1.00 1.00 C ATOM 176 C SER A 12 66.873 -10.279 -6.713 1.00 1.00 C ATOM 177 O SER A 12 67.187 -9.106 -6.745 1.00 1.00 O ATOM 178 CB SER A 12 68.954 -11.616 -7.062 1.00 1.00 C ATOM 179 OG SER A 12 69.778 -10.462 -7.158 1.00 1.00 O ATOM 0 H SER A 12 66.146 -12.657 -6.359 1.00 1.00 H new ATOM 0 HA SER A 12 68.196 -10.963 -5.155 1.00 1.00 H new ATOM 0 HB2 SER A 12 69.538 -12.465 -6.707 1.00 1.00 H new ATOM 0 HB3 SER A 12 68.567 -11.884 -8.045 1.00 1.00 H new ATOM 0 HG SER A 12 69.229 -9.658 -7.044 1.00 1.00 H new ATOM 185 N ALA A 13 65.733 -10.689 -7.199 1.00 1.00 N ATOM 186 CA ALA A 13 64.789 -9.711 -7.808 1.00 1.00 C ATOM 187 C ALA A 13 64.393 -8.664 -6.765 1.00 1.00 C ATOM 188 O ALA A 13 64.531 -8.875 -5.577 1.00 1.00 O ATOM 189 CB ALA A 13 63.537 -10.445 -8.292 1.00 1.00 C ATOM 0 H ALA A 13 65.415 -11.658 -7.200 1.00 1.00 H new ATOM 0 HA ALA A 13 65.272 -9.218 -8.652 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.846 -9.730 -8.738 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.817 -11.191 -9.036 1.00 1.00 H new ATOM 0 HB3 ALA A 13 63.055 -10.938 -7.448 1.00 1.00 H new ATOM 195 N THR A 14 63.902 -7.536 -7.200 1.00 1.00 N ATOM 196 CA THR A 14 63.498 -6.477 -6.233 1.00 1.00 C ATOM 197 C THR A 14 62.243 -6.927 -5.482 1.00 1.00 C ATOM 198 O THR A 14 62.093 -8.085 -5.143 1.00 1.00 O ATOM 199 CB THR A 14 63.202 -5.180 -6.990 1.00 1.00 C ATOM 200 OG1 THR A 14 62.077 -5.374 -7.835 1.00 1.00 O ATOM 201 CG2 THR A 14 64.417 -4.791 -7.834 1.00 1.00 C ATOM 0 H THR A 14 63.763 -7.302 -8.183 1.00 1.00 H new ATOM 0 HA THR A 14 64.306 -6.305 -5.522 1.00 1.00 H new ATOM 0 HB THR A 14 62.988 -4.383 -6.278 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.885 -4.544 -8.319 1.00 1.00 H new ATOM 0 HG21 THR A 14 64.205 -3.867 -8.373 1.00 1.00 H new ATOM 0 HG22 THR A 14 65.279 -4.642 -7.184 1.00 1.00 H new ATOM 0 HG23 THR A 14 64.634 -5.586 -8.548 1.00 1.00 H new ATOM 209 N ARG A 15 61.339 -6.023 -5.219 1.00 1.00 N ATOM 210 CA ARG A 15 60.095 -6.404 -4.490 1.00 1.00 C ATOM 211 C ARG A 15 59.006 -5.365 -4.773 1.00 1.00 C ATOM 212 O ARG A 15 58.008 -5.654 -5.401 1.00 1.00 O ATOM 213 CB ARG A 15 60.386 -6.458 -2.981 1.00 1.00 C ATOM 214 CG ARG A 15 59.394 -7.400 -2.296 1.00 1.00 C ATOM 215 CD ARG A 15 58.161 -6.611 -1.854 1.00 1.00 C ATOM 216 NE ARG A 15 56.998 -7.534 -1.731 1.00 1.00 N ATOM 217 CZ ARG A 15 55.955 -7.179 -1.031 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.930 -6.016 -0.440 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.936 -7.988 -0.923 1.00 1.00 N ATOM 0 H ARG A 15 61.407 -5.038 -5.477 1.00 1.00 H new ATOM 0 HA ARG A 15 59.755 -7.384 -4.825 1.00 1.00 H new ATOM 0 HB2 ARG A 15 61.406 -6.802 -2.810 1.00 1.00 H new ATOM 0 HB3 ARG A 15 60.310 -5.459 -2.551 1.00 1.00 H new ATOM 0 HG2 ARG A 15 59.102 -8.197 -2.980 1.00 1.00 H new ATOM 0 HG3 ARG A 15 59.863 -7.875 -1.434 1.00 1.00 H new ATOM 0 HD2 ARG A 15 58.353 -6.121 -0.899 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.941 -5.825 -2.577 1.00 1.00 H new ATOM 0 HE ARG A 15 57.017 -8.443 -2.194 1.00 1.00 H new ATOM 0 HH11 ARG A 15 56.726 -5.384 -0.525 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.115 -5.739 0.107 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.955 -8.897 -1.385 1.00 1.00 H new ATOM 0 HH22 ARG A 15 54.121 -7.711 -0.376 1.00 1.00 H new ATOM 233 N VAL A 16 59.191 -4.157 -4.314 1.00 1.00 N ATOM 234 CA VAL A 16 58.165 -3.103 -4.558 1.00 1.00 C ATOM 235 C VAL A 16 58.774 -1.724 -4.288 1.00 1.00 C ATOM 236 O VAL A 16 58.562 -1.131 -3.250 1.00 1.00 O ATOM 237 CB VAL A 16 56.967 -3.332 -3.629 1.00 1.00 C ATOM 238 CG1 VAL A 16 57.436 -3.302 -2.173 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.932 -2.228 -3.853 1.00 1.00 C ATOM 0 H VAL A 16 60.007 -3.855 -3.781 1.00 1.00 H new ATOM 0 HA VAL A 16 57.831 -3.151 -5.595 1.00 1.00 H new ATOM 0 HB VAL A 16 56.519 -4.302 -3.846 1.00 1.00 H new ATOM 0 HG11 VAL A 16 56.584 -3.465 -1.513 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.175 -4.087 -2.012 1.00 1.00 H new ATOM 0 HG13 VAL A 16 57.884 -2.332 -1.955 1.00 1.00 H new ATOM 0 HG21 VAL A 16 55.079 -2.389 -3.193 1.00 1.00 H new ATOM 0 HG22 VAL A 16 56.381 -1.259 -3.636 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.597 -2.248 -4.890 1.00 1.00 H new ATOM 249 N MET A 17 59.531 -1.208 -5.219 1.00 1.00 N ATOM 250 CA MET A 17 60.152 0.132 -5.017 1.00 1.00 C ATOM 251 C MET A 17 60.775 0.203 -3.621 1.00 1.00 C ATOM 252 O MET A 17 61.907 -0.187 -3.415 1.00 1.00 O ATOM 253 CB MET A 17 59.080 1.216 -5.153 1.00 1.00 C ATOM 254 CG MET A 17 58.705 1.382 -6.627 1.00 1.00 C ATOM 255 SD MET A 17 60.078 2.157 -7.515 1.00 1.00 S ATOM 256 CE MET A 17 59.970 3.782 -6.728 1.00 1.00 C ATOM 0 H MET A 17 59.746 -1.656 -6.110 1.00 1.00 H new ATOM 0 HA MET A 17 60.927 0.289 -5.768 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.199 0.946 -4.571 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.450 2.160 -4.752 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.475 0.411 -7.066 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.807 1.994 -6.718 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.277 4.551 -7.437 1.00 1.00 H new ATOM 0 HE2 MET A 17 58.943 3.967 -6.415 1.00 1.00 H new ATOM 0 HE3 MET A 17 60.625 3.809 -5.857 1.00 1.00 H new ATOM 266 N GLY A 18 60.044 0.699 -2.660 1.00 1.00 N ATOM 267 CA GLY A 18 60.594 0.794 -1.278 1.00 1.00 C ATOM 268 C GLY A 18 59.766 1.791 -0.465 1.00 1.00 C ATOM 269 O GLY A 18 60.282 2.758 0.060 1.00 1.00 O ATOM 0 H GLY A 18 59.090 1.042 -2.772 1.00 1.00 H new ATOM 0 HA2 GLY A 18 60.575 -0.185 -0.800 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.636 1.113 -1.311 1.00 1.00 H new ATOM 273 N GLY A 19 58.485 1.564 -0.355 1.00 1.00 N ATOM 274 CA GLY A 19 57.625 2.499 0.425 1.00 1.00 C ATOM 275 C GLY A 19 58.293 2.817 1.765 1.00 1.00 C ATOM 276 O GLY A 19 58.595 3.956 2.061 1.00 1.00 O ATOM 0 H GLY A 19 57.997 0.771 -0.772 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.464 3.418 -0.139 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.645 2.053 0.593 1.00 1.00 H new ATOM 280 N PRO A 20 58.521 1.812 2.569 1.00 1.00 N ATOM 281 CA PRO A 20 59.166 1.977 3.904 1.00 1.00 C ATOM 282 C PRO A 20 60.419 2.858 3.839 1.00 1.00 C ATOM 283 O PRO A 20 60.972 3.239 4.852 1.00 1.00 O ATOM 284 CB PRO A 20 59.533 0.546 4.305 1.00 1.00 C ATOM 285 CG PRO A 20 58.552 -0.323 3.590 1.00 1.00 C ATOM 286 CD PRO A 20 58.186 0.405 2.294 1.00 1.00 C ATOM 0 HA PRO A 20 58.507 2.474 4.616 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.556 0.306 4.016 1.00 1.00 H new ATOM 0 HB3 PRO A 20 59.467 0.410 5.384 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.984 -1.301 3.376 1.00 1.00 H new ATOM 0 HG3 PRO A 20 57.666 -0.493 4.202 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.751 0.019 1.446 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.129 0.286 2.054 1.00 1.00 H new ATOM 294 N CYS A 21 60.869 3.183 2.656 1.00 1.00 N ATOM 295 CA CYS A 21 62.083 4.039 2.523 1.00 1.00 C ATOM 296 C CYS A 21 61.853 5.084 1.428 1.00 1.00 C ATOM 297 O CYS A 21 62.035 4.819 0.257 1.00 1.00 O ATOM 298 CB CYS A 21 63.283 3.167 2.147 1.00 1.00 C ATOM 299 SG CYS A 21 63.511 1.880 3.399 1.00 1.00 S ATOM 0 HA CYS A 21 62.279 4.540 3.471 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.124 2.713 1.169 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.182 3.779 2.072 1.00 1.00 H new ATOM 304 N THR A 22 61.457 6.270 1.801 1.00 1.00 N ATOM 305 CA THR A 22 61.219 7.332 0.782 1.00 1.00 C ATOM 306 C THR A 22 62.464 7.472 -0.106 1.00 1.00 C ATOM 307 O THR A 22 63.503 7.906 0.351 1.00 1.00 O ATOM 308 CB THR A 22 60.955 8.662 1.492 1.00 1.00 C ATOM 309 OG1 THR A 22 59.989 8.467 2.514 1.00 1.00 O ATOM 310 CG2 THR A 22 60.434 9.687 0.483 1.00 1.00 C ATOM 0 H THR A 22 61.288 6.550 2.767 1.00 1.00 H new ATOM 0 HA THR A 22 60.359 7.065 0.168 1.00 1.00 H new ATOM 0 HB THR A 22 61.882 9.029 1.933 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.820 9.317 2.971 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.246 10.634 0.990 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.177 9.836 -0.301 1.00 1.00 H new ATOM 0 HG23 THR A 22 59.507 9.323 0.040 1.00 1.00 H new ATOM 318 N PRO A 23 62.372 7.109 -1.365 1.00 1.00 N ATOM 319 CA PRO A 23 63.522 7.205 -2.307 1.00 1.00 C ATOM 320 C PRO A 23 63.691 8.620 -2.872 1.00 1.00 C ATOM 321 O PRO A 23 62.763 9.403 -2.895 1.00 1.00 O ATOM 322 CB PRO A 23 63.146 6.223 -3.415 1.00 1.00 C ATOM 323 CG PRO A 23 61.652 6.237 -3.448 1.00 1.00 C ATOM 324 CD PRO A 23 61.174 6.568 -2.028 1.00 1.00 C ATOM 0 HA PRO A 23 64.473 6.979 -1.824 1.00 1.00 H new ATOM 0 HB2 PRO A 23 63.566 6.529 -4.373 1.00 1.00 H new ATOM 0 HB3 PRO A 23 63.528 5.224 -3.204 1.00 1.00 H new ATOM 0 HG2 PRO A 23 61.289 6.979 -4.160 1.00 1.00 H new ATOM 0 HG3 PRO A 23 61.264 5.270 -3.770 1.00 1.00 H new ATOM 0 HD2 PRO A 23 60.362 7.295 -2.040 1.00 1.00 H new ATOM 0 HD3 PRO A 23 60.801 5.681 -1.516 1.00 1.00 H new ATOM 332 N ARG A 24 64.871 8.948 -3.329 1.00 1.00 N ATOM 333 CA ARG A 24 65.111 10.308 -3.897 1.00 1.00 C ATOM 334 C ARG A 24 64.805 11.372 -2.839 1.00 1.00 C ATOM 335 O ARG A 24 63.765 11.360 -2.212 1.00 1.00 O ATOM 336 CB ARG A 24 64.212 10.523 -5.120 1.00 1.00 C ATOM 337 CG ARG A 24 64.597 11.828 -5.820 1.00 1.00 C ATOM 338 CD ARG A 24 63.407 12.789 -5.800 1.00 1.00 C ATOM 339 NE ARG A 24 62.868 12.883 -4.414 1.00 1.00 N ATOM 340 CZ ARG A 24 62.042 13.843 -4.098 1.00 1.00 C ATOM 341 NH1 ARG A 24 61.688 14.720 -4.997 1.00 1.00 N ATOM 342 NH2 ARG A 24 61.571 13.926 -2.884 1.00 1.00 N ATOM 0 H ARG A 24 65.682 8.330 -3.333 1.00 1.00 H new ATOM 0 HA ARG A 24 66.155 10.391 -4.199 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.314 9.685 -5.810 1.00 1.00 H new ATOM 0 HB3 ARG A 24 63.167 10.558 -4.813 1.00 1.00 H new ATOM 0 HG2 ARG A 24 65.453 12.282 -5.321 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.898 11.626 -6.848 1.00 1.00 H new ATOM 0 HD2 ARG A 24 63.716 13.774 -6.149 1.00 1.00 H new ATOM 0 HD3 ARG A 24 62.631 12.438 -6.480 1.00 1.00 H new ATOM 0 HE ARG A 24 63.145 12.197 -3.712 1.00 1.00 H new ATOM 0 HH11 ARG A 24 62.057 14.655 -5.946 1.00 1.00 H new ATOM 0 HH12 ARG A 24 61.043 15.471 -4.751 1.00 1.00 H new ATOM 0 HH21 ARG A 24 61.848 13.241 -2.181 1.00 1.00 H new ATOM 0 HH22 ARG A 24 60.926 14.676 -2.638 1.00 1.00 H new ATOM 356 N LYS A 25 65.709 12.295 -2.639 1.00 1.00 N ATOM 357 CA LYS A 25 65.484 13.367 -1.625 1.00 1.00 C ATOM 358 C LYS A 25 65.836 14.723 -2.239 1.00 1.00 C ATOM 359 O LYS A 25 65.025 15.627 -2.282 1.00 1.00 O ATOM 360 CB LYS A 25 66.377 13.117 -0.403 1.00 1.00 C ATOM 361 CG LYS A 25 66.322 11.637 -0.018 1.00 1.00 C ATOM 362 CD LYS A 25 67.484 10.893 -0.680 1.00 1.00 C ATOM 363 CE LYS A 25 67.230 9.386 -0.613 1.00 1.00 C ATOM 364 NZ LYS A 25 67.221 8.947 0.811 1.00 1.00 N ATOM 0 H LYS A 25 66.597 12.352 -3.137 1.00 1.00 H new ATOM 0 HA LYS A 25 64.439 13.361 -1.317 1.00 1.00 H new ATOM 0 HB2 LYS A 25 67.404 13.407 -0.626 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.046 13.733 0.433 1.00 1.00 H new ATOM 0 HG2 LYS A 25 66.378 11.530 1.065 1.00 1.00 H new ATOM 0 HG3 LYS A 25 65.373 11.204 -0.333 1.00 1.00 H new ATOM 0 HD2 LYS A 25 67.588 11.209 -1.718 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.420 11.137 -0.177 1.00 1.00 H new ATOM 0 HE2 LYS A 25 66.277 9.146 -1.085 1.00 1.00 H new ATOM 0 HE3 LYS A 25 68.003 8.851 -1.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.253 7.908 0.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 68.050 9.340 1.301 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.353 9.286 1.273 1.00 1.00 H new ATOM 378 N GLY A 26 67.041 14.870 -2.717 1.00 1.00 N ATOM 379 CA GLY A 26 67.452 16.164 -3.332 1.00 1.00 C ATOM 380 C GLY A 26 68.586 15.911 -4.327 1.00 1.00 C ATOM 381 O GLY A 26 68.900 14.782 -4.645 1.00 1.00 O ATOM 0 H GLY A 26 67.761 14.148 -2.708 1.00 1.00 H new ATOM 0 HA2 GLY A 26 66.604 16.625 -3.838 1.00 1.00 H new ATOM 0 HA3 GLY A 26 67.779 16.860 -2.559 1.00 1.00 H new ATOM 385 N PRO A 27 69.194 16.958 -4.813 1.00 1.00 N ATOM 386 CA PRO A 27 70.315 16.853 -5.790 1.00 1.00 C ATOM 387 C PRO A 27 71.375 15.838 -5.340 1.00 1.00 C ATOM 388 O PRO A 27 71.502 15.548 -4.167 1.00 1.00 O ATOM 389 CB PRO A 27 70.902 18.268 -5.822 1.00 1.00 C ATOM 390 CG PRO A 27 69.779 19.167 -5.424 1.00 1.00 C ATOM 391 CD PRO A 27 68.879 18.358 -4.486 1.00 1.00 C ATOM 0 HA PRO A 27 69.977 16.503 -6.765 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.743 18.361 -5.135 1.00 1.00 H new ATOM 0 HB3 PRO A 27 71.273 18.518 -6.816 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.156 20.059 -4.924 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.223 19.503 -6.299 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.089 18.581 -3.440 1.00 1.00 H new ATOM 0 HD3 PRO A 27 67.825 18.580 -4.654 1.00 1.00 H new ATOM 399 N PRO A 28 72.133 15.305 -6.264 1.00 1.00 N ATOM 400 CA PRO A 28 73.198 14.312 -5.953 1.00 1.00 C ATOM 401 C PRO A 28 73.979 14.681 -4.687 1.00 1.00 C ATOM 402 O PRO A 28 74.240 15.837 -4.423 1.00 1.00 O ATOM 403 CB PRO A 28 74.105 14.370 -7.182 1.00 1.00 C ATOM 404 CG PRO A 28 73.209 14.770 -8.309 1.00 1.00 C ATOM 405 CD PRO A 28 72.063 15.591 -7.706 1.00 1.00 C ATOM 0 HA PRO A 28 72.791 13.320 -5.757 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.910 15.091 -7.044 1.00 1.00 H new ATOM 0 HB3 PRO A 28 74.572 13.404 -7.373 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.757 15.357 -9.046 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.823 13.891 -8.825 1.00 1.00 H new ATOM 0 HD2 PRO A 28 72.187 16.655 -7.907 1.00 1.00 H new ATOM 0 HD3 PRO A 28 71.100 15.297 -8.124 1.00 1.00 H new ATOM 413 N LYS A 29 74.356 13.706 -3.904 1.00 1.00 N ATOM 414 CA LYS A 29 75.121 14.003 -2.659 1.00 1.00 C ATOM 415 C LYS A 29 76.077 12.845 -2.363 1.00 1.00 C ATOM 416 O LYS A 29 75.662 11.741 -2.070 1.00 1.00 O ATOM 417 CB LYS A 29 74.146 14.180 -1.488 1.00 1.00 C ATOM 418 CG LYS A 29 73.717 15.646 -1.398 1.00 1.00 C ATOM 419 CD LYS A 29 72.805 15.838 -0.185 1.00 1.00 C ATOM 420 CE LYS A 29 72.765 17.319 0.195 1.00 1.00 C ATOM 421 NZ LYS A 29 72.349 18.124 -0.988 1.00 1.00 N ATOM 0 H LYS A 29 74.167 12.718 -4.073 1.00 1.00 H new ATOM 0 HA LYS A 29 75.693 14.921 -2.792 1.00 1.00 H new ATOM 0 HB2 LYS A 29 73.273 13.543 -1.628 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.620 13.871 -0.556 1.00 1.00 H new ATOM 0 HG2 LYS A 29 74.594 16.288 -1.312 1.00 1.00 H new ATOM 0 HG3 LYS A 29 73.195 15.940 -2.309 1.00 1.00 H new ATOM 0 HD2 LYS A 29 71.800 15.483 -0.413 1.00 1.00 H new ATOM 0 HD3 LYS A 29 73.170 15.246 0.655 1.00 1.00 H new ATOM 0 HE2 LYS A 29 72.068 17.476 1.018 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.746 17.643 0.542 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 71.996 19.050 -0.671 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.165 18.261 -1.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 71.595 17.623 -1.501 1.00 1.00 H new ATOM 435 N CYS A 30 77.356 13.092 -2.437 1.00 1.00 N ATOM 436 CA CYS A 30 78.346 12.013 -2.160 1.00 1.00 C ATOM 437 C CYS A 30 79.602 12.626 -1.540 1.00 1.00 C ATOM 438 O CYS A 30 80.247 12.030 -0.700 1.00 1.00 O ATOM 439 CB CYS A 30 78.711 11.306 -3.467 1.00 1.00 C ATOM 440 SG CYS A 30 77.228 11.126 -4.490 1.00 1.00 S ATOM 0 H CYS A 30 77.759 13.997 -2.678 1.00 1.00 H new ATOM 0 HA CYS A 30 77.914 11.290 -1.468 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.468 11.878 -4.003 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.141 10.327 -3.256 1.00 1.00 H new ATOM 445 N LYS A 31 79.949 13.816 -1.945 1.00 1.00 N ATOM 446 CA LYS A 31 81.158 14.480 -1.381 1.00 1.00 C ATOM 447 C LYS A 31 82.317 13.481 -1.330 1.00 1.00 C ATOM 448 O LYS A 31 82.305 12.466 -1.999 1.00 1.00 O ATOM 449 CB LYS A 31 80.853 14.978 0.035 1.00 1.00 C ATOM 450 CG LYS A 31 79.467 15.625 0.062 1.00 1.00 C ATOM 451 CD LYS A 31 79.453 16.843 -0.863 1.00 1.00 C ATOM 452 CE LYS A 31 78.178 17.654 -0.622 1.00 1.00 C ATOM 453 NZ LYS A 31 78.069 17.990 0.825 1.00 1.00 N ATOM 0 H LYS A 31 79.445 14.360 -2.646 1.00 1.00 H new ATOM 0 HA LYS A 31 81.435 15.324 -2.013 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.892 14.148 0.740 1.00 1.00 H new ATOM 0 HB3 LYS A 31 81.608 15.698 0.349 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.712 14.906 -0.255 1.00 1.00 H new ATOM 0 HG3 LYS A 31 79.214 15.925 1.079 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.331 17.463 -0.679 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.501 16.523 -1.904 1.00 1.00 H new ATOM 0 HE2 LYS A 31 78.197 18.567 -1.218 1.00 1.00 H new ATOM 0 HE3 LYS A 31 77.306 17.083 -0.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 77.656 18.939 0.931 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 77.460 17.292 1.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 79.015 17.974 1.257 1.00 1.00 H new ATOM 467 N GLN A 32 83.318 13.761 -0.539 1.00 1.00 N ATOM 468 CA GLN A 32 84.479 12.831 -0.438 1.00 1.00 C ATOM 469 C GLN A 32 84.314 11.946 0.799 1.00 1.00 C ATOM 470 O GLN A 32 83.240 11.834 1.354 1.00 1.00 O ATOM 471 CB GLN A 32 85.771 13.642 -0.314 1.00 1.00 C ATOM 472 CG GLN A 32 85.953 14.509 -1.561 1.00 1.00 C ATOM 473 CD GLN A 32 87.016 15.576 -1.292 1.00 1.00 C ATOM 474 OE1 GLN A 32 87.974 15.330 -0.586 1.00 1.00 O ATOM 475 NE2 GLN A 32 86.886 16.758 -1.827 1.00 1.00 N ATOM 0 H GLN A 32 83.381 14.596 0.043 1.00 1.00 H new ATOM 0 HA GLN A 32 84.525 12.207 -1.330 1.00 1.00 H new ATOM 0 HB2 GLN A 32 85.734 14.270 0.576 1.00 1.00 H new ATOM 0 HB3 GLN A 32 86.623 12.972 -0.197 1.00 1.00 H new ATOM 0 HG2 GLN A 32 86.251 13.889 -2.407 1.00 1.00 H new ATOM 0 HG3 GLN A 32 85.008 14.982 -1.829 1.00 1.00 H new ATOM 0 HE21 GLN A 32 86.082 16.964 -2.420 1.00 1.00 H new ATOM 0 HE22 GLN A 32 87.589 17.477 -1.653 1.00 1.00 H new ATOM 484 N ARG A 33 85.371 11.316 1.235 1.00 1.00 N ATOM 485 CA ARG A 33 85.272 10.441 2.437 1.00 1.00 C ATOM 486 C ARG A 33 86.672 9.977 2.846 1.00 1.00 C ATOM 487 O ARG A 33 87.212 9.037 2.295 1.00 1.00 O ATOM 488 CB ARG A 33 84.401 9.224 2.111 1.00 1.00 C ATOM 489 CG ARG A 33 84.669 8.774 0.674 1.00 1.00 C ATOM 490 CD ARG A 33 84.105 7.367 0.465 1.00 1.00 C ATOM 491 NE ARG A 33 84.013 7.080 -0.994 1.00 1.00 N ATOM 492 CZ ARG A 33 83.405 6.003 -1.410 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.876 5.178 -0.549 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.325 5.752 -2.688 1.00 1.00 N ATOM 0 H ARG A 33 86.297 11.369 0.811 1.00 1.00 H new ATOM 0 HA ARG A 33 84.822 10.998 3.258 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.619 8.412 2.804 1.00 1.00 H new ATOM 0 HB3 ARG A 33 83.347 9.474 2.234 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.209 9.470 -0.028 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.740 8.781 0.473 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.745 6.631 0.951 1.00 1.00 H new ATOM 0 HD3 ARG A 33 83.120 7.286 0.925 1.00 1.00 H new ATOM 0 HE ARG A 33 84.425 7.725 -1.668 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.938 5.375 0.450 1.00 1.00 H new ATOM 0 HH12 ARG A 33 82.401 4.336 -0.875 1.00 1.00 H new ATOM 0 HH21 ARG A 33 83.738 6.398 -3.361 1.00 1.00 H new ATOM 0 HH22 ARG A 33 82.850 4.910 -3.014 1.00 1.00 H new ATOM 508 N GLN A 34 87.265 10.629 3.809 1.00 1.00 N ATOM 509 CA GLN A 34 88.629 10.225 4.252 1.00 1.00 C ATOM 510 C GLN A 34 88.982 10.960 5.547 1.00 1.00 C ATOM 511 O GLN A 34 89.068 12.171 5.581 1.00 1.00 O ATOM 512 CB GLN A 34 89.647 10.585 3.168 1.00 1.00 C ATOM 513 CG GLN A 34 90.994 9.938 3.496 1.00 1.00 C ATOM 514 CD GLN A 34 91.960 10.148 2.328 1.00 1.00 C ATOM 515 OE1 GLN A 34 92.767 11.056 2.348 1.00 1.00 O ATOM 516 NE2 GLN A 34 91.911 9.341 1.304 1.00 1.00 N ATOM 0 H GLN A 34 86.864 11.423 4.308 1.00 1.00 H new ATOM 0 HA GLN A 34 88.650 9.149 4.426 1.00 1.00 H new ATOM 0 HB2 GLN A 34 89.294 10.242 2.195 1.00 1.00 H new ATOM 0 HB3 GLN A 34 89.758 11.667 3.104 1.00 1.00 H new ATOM 0 HG2 GLN A 34 91.407 10.374 4.406 1.00 1.00 H new ATOM 0 HG3 GLN A 34 90.861 8.873 3.685 1.00 1.00 H new ATOM 0 HE21 GLN A 34 91.233 8.579 1.287 1.00 1.00 H new ATOM 0 HE22 GLN A 34 92.550 9.472 0.520 1.00 1.00 H new ATOM 525 N THR A 35 89.184 10.237 6.615 1.00 1.00 N ATOM 526 CA THR A 35 89.529 10.896 7.906 1.00 1.00 C ATOM 527 C THR A 35 90.037 9.843 8.894 1.00 1.00 C ATOM 528 O THR A 35 90.176 10.099 10.073 1.00 1.00 O ATOM 529 CB THR A 35 88.282 11.579 8.476 1.00 1.00 C ATOM 530 OG1 THR A 35 87.541 12.167 7.417 1.00 1.00 O ATOM 531 CG2 THR A 35 88.701 12.662 9.472 1.00 1.00 C ATOM 0 H THR A 35 89.125 9.219 6.649 1.00 1.00 H new ATOM 0 HA THR A 35 90.307 11.642 7.741 1.00 1.00 H new ATOM 0 HB THR A 35 87.664 10.840 8.986 1.00 1.00 H new ATOM 0 HG1 THR A 35 88.136 12.719 6.868 1.00 1.00 H new ATOM 0 HG21 THR A 35 87.813 13.147 9.877 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.269 12.209 10.284 1.00 1.00 H new ATOM 0 HG23 THR A 35 89.320 13.403 8.965 1.00 1.00 H new ATOM 539 N ARG A 36 90.316 8.659 8.422 1.00 1.00 N ATOM 540 CA ARG A 36 90.815 7.590 9.333 1.00 1.00 C ATOM 541 C ARG A 36 89.774 7.322 10.423 1.00 1.00 C ATOM 542 O ARG A 36 90.092 6.846 11.494 1.00 1.00 O ATOM 543 CB ARG A 36 92.131 8.042 9.978 1.00 1.00 C ATOM 544 CG ARG A 36 92.904 6.821 10.480 1.00 1.00 C ATOM 545 CD ARG A 36 93.773 6.266 9.349 1.00 1.00 C ATOM 546 NE ARG A 36 94.572 5.115 9.856 1.00 1.00 N ATOM 547 CZ ARG A 36 95.683 4.779 9.260 1.00 1.00 C ATOM 548 NH1 ARG A 36 96.094 5.451 8.220 1.00 1.00 N ATOM 549 NH2 ARG A 36 96.383 3.771 9.704 1.00 1.00 N ATOM 0 H ARG A 36 90.220 8.385 7.444 1.00 1.00 H new ATOM 0 HA ARG A 36 90.986 6.676 8.764 1.00 1.00 H new ATOM 0 HB2 ARG A 36 92.732 8.593 9.254 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.927 8.721 10.806 1.00 1.00 H new ATOM 0 HG2 ARG A 36 93.528 7.097 11.330 1.00 1.00 H new ATOM 0 HG3 ARG A 36 92.210 6.056 10.828 1.00 1.00 H new ATOM 0 HD2 ARG A 36 93.146 5.948 8.516 1.00 1.00 H new ATOM 0 HD3 ARG A 36 94.436 7.044 8.970 1.00 1.00 H new ATOM 0 HE ARG A 36 94.250 4.590 10.669 1.00 1.00 H new ATOM 0 HH11 ARG A 36 95.547 6.239 7.873 1.00 1.00 H new ATOM 0 HH12 ARG A 36 96.962 5.189 7.754 1.00 1.00 H new ATOM 0 HH21 ARG A 36 96.062 3.246 10.517 1.00 1.00 H new ATOM 0 HH22 ARG A 36 97.251 3.509 9.238 1.00 1.00 H new ATOM 563 N GLN A 37 88.532 7.626 10.158 1.00 1.00 N ATOM 564 CA GLN A 37 87.469 7.390 11.178 1.00 1.00 C ATOM 565 C GLN A 37 86.124 7.871 10.625 1.00 1.00 C ATOM 566 O GLN A 37 85.972 9.015 10.246 1.00 1.00 O ATOM 567 CB GLN A 37 87.812 8.166 12.462 1.00 1.00 C ATOM 568 CG GLN A 37 88.038 7.182 13.611 1.00 1.00 C ATOM 569 CD GLN A 37 86.691 6.634 14.087 1.00 1.00 C ATOM 570 OE1 GLN A 37 85.897 6.168 13.294 1.00 1.00 O ATOM 571 NE2 GLN A 37 86.398 6.670 15.358 1.00 1.00 N ATOM 0 H GLN A 37 88.207 8.028 9.279 1.00 1.00 H new ATOM 0 HA GLN A 37 87.407 6.326 11.407 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.706 8.770 12.306 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.003 8.852 12.711 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.680 6.364 13.283 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.551 7.679 14.434 1.00 1.00 H new ATOM 0 HE21 GLN A 37 87.064 7.061 16.024 1.00 1.00 H new ATOM 0 HE22 GLN A 37 85.503 6.307 15.685 1.00 1.00 H new ATOM 580 N CYS A 38 85.146 7.008 10.578 1.00 1.00 N ATOM 581 CA CYS A 38 83.814 7.421 10.054 1.00 1.00 C ATOM 582 C CYS A 38 83.351 8.683 10.784 1.00 1.00 C ATOM 583 O CYS A 38 83.259 9.748 10.206 1.00 1.00 O ATOM 584 CB CYS A 38 82.802 6.297 10.285 1.00 1.00 C ATOM 585 SG CYS A 38 81.228 6.732 9.504 1.00 1.00 S ATOM 0 H CYS A 38 85.212 6.036 10.880 1.00 1.00 H new ATOM 0 HA CYS A 38 83.890 7.625 8.986 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.180 5.362 9.871 1.00 1.00 H new ATOM 0 HB3 CYS A 38 82.658 6.137 11.353 1.00 1.00 H new ATOM 590 N LYS A 39 83.062 8.573 12.051 1.00 1.00 N ATOM 591 CA LYS A 39 82.610 9.767 12.820 1.00 1.00 C ATOM 592 C LYS A 39 82.781 9.501 14.317 1.00 1.00 C ATOM 593 O LYS A 39 82.924 10.414 15.106 1.00 1.00 O ATOM 594 CB LYS A 39 81.135 10.049 12.515 1.00 1.00 C ATOM 595 CG LYS A 39 80.315 8.771 12.703 1.00 1.00 C ATOM 596 CD LYS A 39 78.990 9.111 13.389 1.00 1.00 C ATOM 597 CE LYS A 39 78.189 7.828 13.617 1.00 1.00 C ATOM 598 NZ LYS A 39 77.162 8.064 14.671 1.00 1.00 N ATOM 0 H LYS A 39 83.119 7.708 12.588 1.00 1.00 H new ATOM 0 HA LYS A 39 83.208 10.631 12.532 1.00 1.00 H new ATOM 0 HB2 LYS A 39 80.761 10.833 13.174 1.00 1.00 H new ATOM 0 HB3 LYS A 39 81.028 10.414 11.493 1.00 1.00 H new ATOM 0 HG2 LYS A 39 80.127 8.302 11.737 1.00 1.00 H new ATOM 0 HG3 LYS A 39 80.874 8.053 13.303 1.00 1.00 H new ATOM 0 HD2 LYS A 39 79.178 9.609 14.340 1.00 1.00 H new ATOM 0 HD3 LYS A 39 78.417 9.805 12.774 1.00 1.00 H new ATOM 0 HE2 LYS A 39 77.709 7.517 12.689 1.00 1.00 H new ATOM 0 HE3 LYS A 39 78.855 7.019 13.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 76.617 7.192 14.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 77.631 8.342 15.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 76.520 8.824 14.366 1.00 1.00 H new ATOM 612 N SER A 40 82.766 8.257 14.713 1.00 1.00 N ATOM 613 CA SER A 40 82.927 7.930 16.159 1.00 1.00 C ATOM 614 C SER A 40 82.732 6.425 16.363 1.00 1.00 C ATOM 615 O SER A 40 82.908 5.910 17.450 1.00 1.00 O ATOM 616 CB SER A 40 81.882 8.698 16.975 1.00 1.00 C ATOM 617 OG SER A 40 80.682 8.802 16.221 1.00 1.00 O ATOM 0 H SER A 40 82.649 7.452 14.097 1.00 1.00 H new ATOM 0 HA SER A 40 83.926 8.216 16.490 1.00 1.00 H new ATOM 0 HB2 SER A 40 81.690 8.184 17.917 1.00 1.00 H new ATOM 0 HB3 SER A 40 82.256 9.691 17.224 1.00 1.00 H new ATOM 0 HG SER A 40 80.011 9.291 16.741 1.00 1.00 H new ATOM 623 N LYS A 41 82.368 5.718 15.325 1.00 1.00 N ATOM 624 CA LYS A 41 82.156 4.245 15.451 1.00 1.00 C ATOM 625 C LYS A 41 82.939 3.527 14.346 1.00 1.00 C ATOM 626 O LYS A 41 82.398 3.201 13.308 1.00 1.00 O ATOM 627 CB LYS A 41 80.664 3.922 15.299 1.00 1.00 C ATOM 628 CG LYS A 41 79.840 4.887 16.154 1.00 1.00 C ATOM 629 CD LYS A 41 79.892 4.445 17.618 1.00 1.00 C ATOM 630 CE LYS A 41 78.572 3.768 17.994 1.00 1.00 C ATOM 631 NZ LYS A 41 78.409 2.520 17.198 1.00 1.00 N ATOM 0 H LYS A 41 82.208 6.099 14.392 1.00 1.00 H new ATOM 0 HA LYS A 41 82.502 3.912 16.430 1.00 1.00 H new ATOM 0 HB2 LYS A 41 80.369 4.004 14.253 1.00 1.00 H new ATOM 0 HB3 LYS A 41 80.471 2.894 15.605 1.00 1.00 H new ATOM 0 HG2 LYS A 41 80.229 5.900 16.055 1.00 1.00 H new ATOM 0 HG3 LYS A 41 78.807 4.907 15.806 1.00 1.00 H new ATOM 0 HD2 LYS A 41 80.723 3.756 17.772 1.00 1.00 H new ATOM 0 HD3 LYS A 41 80.068 5.306 18.263 1.00 1.00 H new ATOM 0 HE2 LYS A 41 78.560 3.537 19.059 1.00 1.00 H new ATOM 0 HE3 LYS A 41 77.738 4.444 17.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 77.605 1.974 17.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 78.233 2.764 16.202 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 79.276 1.949 17.266 1.00 1.00 H new ATOM 645 N PRO A 42 84.207 3.287 14.564 1.00 1.00 N ATOM 646 CA PRO A 42 85.077 2.603 13.569 1.00 1.00 C ATOM 647 C PRO A 42 84.925 1.077 13.617 1.00 1.00 C ATOM 648 O PRO A 42 84.464 0.524 14.596 1.00 1.00 O ATOM 649 CB PRO A 42 86.487 3.021 13.990 1.00 1.00 C ATOM 650 CG PRO A 42 86.403 3.255 15.464 1.00 1.00 C ATOM 651 CD PRO A 42 84.954 3.644 15.781 1.00 1.00 C ATOM 0 HA PRO A 42 84.827 2.878 12.544 1.00 1.00 H new ATOM 0 HB2 PRO A 42 87.215 2.244 13.756 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.803 3.923 13.466 1.00 1.00 H new ATOM 0 HG2 PRO A 42 86.689 2.358 16.013 1.00 1.00 H new ATOM 0 HG3 PRO A 42 87.089 4.046 15.767 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.579 3.105 16.651 1.00 1.00 H new ATOM 0 HD3 PRO A 42 84.867 4.708 16.003 1.00 1.00 H new ATOM 659 N PRO A 43 85.315 0.404 12.565 1.00 1.00 N ATOM 660 CA PRO A 43 85.225 -1.083 12.483 1.00 1.00 C ATOM 661 C PRO A 43 86.252 -1.773 13.386 1.00 1.00 C ATOM 662 O PRO A 43 87.420 -1.439 13.382 1.00 1.00 O ATOM 663 CB PRO A 43 85.518 -1.384 11.009 1.00 1.00 C ATOM 664 CG PRO A 43 86.340 -0.233 10.533 1.00 1.00 C ATOM 665 CD PRO A 43 85.888 0.986 11.340 1.00 1.00 C ATOM 0 HA PRO A 43 84.255 -1.451 12.817 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.056 -2.325 10.898 1.00 1.00 H new ATOM 0 HB3 PRO A 43 84.596 -1.474 10.434 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.402 -0.426 10.684 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.194 -0.067 9.466 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.724 1.649 11.565 1.00 1.00 H new ATOM 0 HD3 PRO A 43 85.151 1.576 10.795 1.00 1.00 H new ATOM 673 N LYS A 44 85.827 -2.734 14.158 1.00 1.00 N ATOM 674 CA LYS A 44 86.781 -3.443 15.056 1.00 1.00 C ATOM 675 C LYS A 44 87.638 -4.400 14.226 1.00 1.00 C ATOM 676 O LYS A 44 88.628 -4.928 14.693 1.00 1.00 O ATOM 677 CB LYS A 44 86.002 -4.234 16.108 1.00 1.00 C ATOM 678 CG LYS A 44 86.983 -4.949 17.039 1.00 1.00 C ATOM 679 CD LYS A 44 86.244 -5.426 18.291 1.00 1.00 C ATOM 680 CE LYS A 44 85.210 -6.484 17.903 1.00 1.00 C ATOM 681 NZ LYS A 44 84.815 -7.260 19.112 1.00 1.00 N ATOM 0 H LYS A 44 84.861 -3.059 14.206 1.00 1.00 H new ATOM 0 HA LYS A 44 87.423 -2.717 15.554 1.00 1.00 H new ATOM 0 HB2 LYS A 44 85.362 -3.564 16.682 1.00 1.00 H new ATOM 0 HB3 LYS A 44 85.350 -4.960 15.623 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.435 -5.797 16.526 1.00 1.00 H new ATOM 0 HG3 LYS A 44 87.794 -4.275 17.317 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.952 -5.841 19.008 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.753 -4.584 18.779 1.00 1.00 H new ATOM 0 HE2 LYS A 44 84.335 -6.008 17.462 1.00 1.00 H new ATOM 0 HE3 LYS A 44 85.624 -7.152 17.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 84.112 -7.979 18.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 85.653 -7.726 19.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.404 -6.617 19.818 1.00 1.00 H new ATOM 695 N LYS A 45 87.265 -4.627 12.996 1.00 1.00 N ATOM 696 CA LYS A 45 88.057 -5.549 12.134 1.00 1.00 C ATOM 697 C LYS A 45 89.531 -5.143 12.174 1.00 1.00 C ATOM 698 O LYS A 45 90.318 -5.702 12.913 1.00 1.00 O ATOM 699 CB LYS A 45 87.543 -5.469 10.694 1.00 1.00 C ATOM 700 CG LYS A 45 86.045 -5.777 10.669 1.00 1.00 C ATOM 701 CD LYS A 45 85.579 -5.934 9.221 1.00 1.00 C ATOM 702 CE LYS A 45 84.060 -6.114 9.189 1.00 1.00 C ATOM 703 NZ LYS A 45 83.662 -7.155 10.177 1.00 1.00 N ATOM 0 H LYS A 45 86.446 -4.214 12.551 1.00 1.00 H new ATOM 0 HA LYS A 45 87.952 -6.570 12.500 1.00 1.00 H new ATOM 0 HB2 LYS A 45 87.728 -4.475 10.285 1.00 1.00 H new ATOM 0 HB3 LYS A 45 88.081 -6.178 10.065 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.842 -6.690 11.228 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.490 -4.975 11.156 1.00 1.00 H new ATOM 0 HD2 LYS A 45 85.864 -5.057 8.639 1.00 1.00 H new ATOM 0 HD3 LYS A 45 86.067 -6.794 8.762 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.566 -5.170 9.421 1.00 1.00 H new ATOM 0 HE3 LYS A 45 83.739 -6.405 8.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 82.734 -7.545 9.916 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 84.369 -7.918 10.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 83.604 -6.730 11.125 1.00 1.00 H new ATOM 717 N GLY A 46 89.914 -4.175 11.387 1.00 1.00 N ATOM 718 CA GLY A 46 91.340 -3.739 11.387 1.00 1.00 C ATOM 719 C GLY A 46 91.564 -2.716 10.273 1.00 1.00 C ATOM 720 O GLY A 46 91.865 -1.566 10.524 1.00 1.00 O ATOM 0 H GLY A 46 89.304 -3.668 10.746 1.00 1.00 H new ATOM 0 HA2 GLY A 46 91.597 -3.303 12.352 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.994 -4.599 11.241 1.00 1.00 H new ATOM 724 N VAL A 47 91.421 -3.125 9.042 1.00 1.00 N ATOM 725 CA VAL A 47 91.625 -2.177 7.913 1.00 1.00 C ATOM 726 C VAL A 47 90.857 -0.882 8.193 1.00 1.00 C ATOM 727 O VAL A 47 89.646 -0.876 8.292 1.00 1.00 O ATOM 728 CB VAL A 47 91.118 -2.823 6.619 1.00 1.00 C ATOM 729 CG1 VAL A 47 89.833 -3.602 6.906 1.00 1.00 C ATOM 730 CG2 VAL A 47 90.831 -1.732 5.585 1.00 1.00 C ATOM 0 H VAL A 47 91.171 -4.076 8.770 1.00 1.00 H new ATOM 0 HA VAL A 47 92.685 -1.944 7.807 1.00 1.00 H new ATOM 0 HB VAL A 47 91.876 -3.503 6.231 1.00 1.00 H new ATOM 0 HG11 VAL A 47 89.473 -4.061 5.986 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.035 -4.378 7.644 1.00 1.00 H new ATOM 0 HG13 VAL A 47 89.074 -2.922 7.293 1.00 1.00 H new ATOM 0 HG21 VAL A 47 90.470 -2.190 4.664 1.00 1.00 H new ATOM 0 HG22 VAL A 47 90.073 -1.053 5.974 1.00 1.00 H new ATOM 0 HG23 VAL A 47 91.746 -1.176 5.380 1.00 1.00 H new ATOM 740 N GLN A 48 91.553 0.216 8.324 1.00 1.00 N ATOM 741 CA GLN A 48 90.867 1.512 8.599 1.00 1.00 C ATOM 742 C GLN A 48 91.544 2.627 7.800 1.00 1.00 C ATOM 743 O GLN A 48 92.649 3.037 8.095 1.00 1.00 O ATOM 744 CB GLN A 48 90.944 1.826 10.098 1.00 1.00 C ATOM 745 CG GLN A 48 92.405 1.817 10.552 1.00 1.00 C ATOM 746 CD GLN A 48 92.472 1.519 12.051 1.00 1.00 C ATOM 747 OE1 GLN A 48 93.374 0.846 12.509 1.00 1.00 O ATOM 748 NE2 GLN A 48 91.548 1.996 12.841 1.00 1.00 N ATOM 0 H GLN A 48 92.569 0.271 8.252 1.00 1.00 H new ATOM 0 HA GLN A 48 89.821 1.441 8.302 1.00 1.00 H new ATOM 0 HB2 GLN A 48 90.497 2.799 10.299 1.00 1.00 H new ATOM 0 HB3 GLN A 48 90.373 1.090 10.663 1.00 1.00 H new ATOM 0 HG2 GLN A 48 92.965 1.065 9.996 1.00 1.00 H new ATOM 0 HG3 GLN A 48 92.868 2.781 10.341 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.791 2.561 12.457 1.00 1.00 H new ATOM 0 HE22 GLN A 48 91.584 1.804 13.842 1.00 1.00 H new ATOM 757 N GLY A 49 90.887 3.121 6.787 1.00 1.00 N ATOM 758 CA GLY A 49 91.485 4.209 5.963 1.00 1.00 C ATOM 759 C GLY A 49 90.370 4.957 5.230 1.00 1.00 C ATOM 760 O GLY A 49 90.401 5.113 4.025 1.00 1.00 O ATOM 0 H GLY A 49 89.959 2.817 6.494 1.00 1.00 H new ATOM 0 HA2 GLY A 49 92.044 4.897 6.598 1.00 1.00 H new ATOM 0 HA3 GLY A 49 92.192 3.792 5.246 1.00 1.00 H new ATOM 764 N CYS A 50 89.382 5.415 5.950 1.00 1.00 N ATOM 765 CA CYS A 50 88.258 6.150 5.303 1.00 1.00 C ATOM 766 C CYS A 50 87.815 7.300 6.208 1.00 1.00 C ATOM 767 O CYS A 50 88.552 7.749 7.063 1.00 1.00 O ATOM 768 CB CYS A 50 87.085 5.192 5.086 1.00 1.00 C ATOM 769 SG CYS A 50 86.676 4.376 6.649 1.00 1.00 S ATOM 0 H CYS A 50 89.305 5.311 6.962 1.00 1.00 H new ATOM 0 HA CYS A 50 88.586 6.549 4.343 1.00 1.00 H new ATOM 0 HB2 CYS A 50 86.220 5.739 4.711 1.00 1.00 H new ATOM 0 HB3 CYS A 50 87.343 4.449 4.332 1.00 1.00 H new ATOM 774 N GLY A 51 86.615 7.781 6.031 1.00 1.00 N ATOM 775 CA GLY A 51 86.129 8.901 6.886 1.00 1.00 C ATOM 776 C GLY A 51 84.803 9.429 6.336 1.00 1.00 C ATOM 777 O GLY A 51 84.502 9.285 5.168 1.00 1.00 O ATOM 0 H GLY A 51 85.951 7.448 5.332 1.00 1.00 H new ATOM 0 HA2 GLY A 51 85.998 8.558 7.912 1.00 1.00 H new ATOM 0 HA3 GLY A 51 86.869 9.701 6.910 1.00 1.00 H new ATOM 781 N ASP A 52 84.009 10.041 7.171 1.00 1.00 N ATOM 782 CA ASP A 52 82.702 10.581 6.699 1.00 1.00 C ATOM 783 C ASP A 52 82.225 11.667 7.665 1.00 1.00 C ATOM 784 O ASP A 52 81.091 11.672 8.099 1.00 1.00 O ATOM 785 CB ASP A 52 81.671 9.451 6.650 1.00 1.00 C ATOM 786 CG ASP A 52 80.453 9.905 5.844 1.00 1.00 C ATOM 787 OD1 ASP A 52 79.794 10.836 6.277 1.00 1.00 O ATOM 788 OD2 ASP A 52 80.200 9.314 4.807 1.00 1.00 O ATOM 0 H ASP A 52 84.209 10.191 8.160 1.00 1.00 H new ATOM 0 HA ASP A 52 82.820 11.006 5.702 1.00 1.00 H new ATOM 0 HB2 ASP A 52 82.111 8.563 6.196 1.00 1.00 H new ATOM 0 HB3 ASP A 52 81.369 9.176 7.661 1.00 1.00 H new ATOM 793 N ASP A 53 83.085 12.589 8.005 1.00 1.00 N ATOM 794 CA ASP A 53 82.683 13.675 8.943 1.00 1.00 C ATOM 795 C ASP A 53 81.716 14.628 8.237 1.00 1.00 C ATOM 796 O ASP A 53 81.499 15.741 8.673 1.00 1.00 O ATOM 797 CB ASP A 53 83.927 14.448 9.390 1.00 1.00 C ATOM 798 CG ASP A 53 83.593 15.283 10.627 1.00 1.00 C ATOM 799 OD1 ASP A 53 83.137 16.402 10.457 1.00 1.00 O ATOM 800 OD2 ASP A 53 83.800 14.790 11.724 1.00 1.00 O ATOM 0 H ASP A 53 84.048 12.637 7.673 1.00 1.00 H new ATOM 0 HA ASP A 53 82.192 13.240 9.814 1.00 1.00 H new ATOM 0 HB2 ASP A 53 84.738 13.755 9.614 1.00 1.00 H new ATOM 0 HB3 ASP A 53 84.275 15.095 8.585 1.00 1.00 H new ATOM 805 N ILE A 54 81.133 14.197 7.148 1.00 1.00 N ATOM 806 CA ILE A 54 80.177 15.072 6.406 1.00 1.00 C ATOM 807 C ILE A 54 78.756 14.518 6.569 1.00 1.00 C ATOM 808 O ILE A 54 78.371 13.589 5.886 1.00 1.00 O ATOM 809 CB ILE A 54 80.543 15.076 4.917 1.00 1.00 C ATOM 810 CG1 ILE A 54 82.021 15.439 4.758 1.00 1.00 C ATOM 811 CG2 ILE A 54 79.685 16.107 4.182 1.00 1.00 C ATOM 812 CD1 ILE A 54 82.180 16.960 4.790 1.00 1.00 C ATOM 0 H ILE A 54 81.279 13.274 6.740 1.00 1.00 H new ATOM 0 HA ILE A 54 80.228 16.087 6.801 1.00 1.00 H new ATOM 0 HB ILE A 54 80.362 14.087 4.496 1.00 1.00 H new ATOM 0 HG12 ILE A 54 82.606 14.985 5.558 1.00 1.00 H new ATOM 0 HG13 ILE A 54 82.405 15.042 3.818 1.00 1.00 H new ATOM 0 HG21 ILE A 54 79.946 16.109 3.124 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.632 15.851 4.296 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.865 17.096 4.602 1.00 1.00 H new ATOM 0 HD11 ILE A 54 83.233 17.218 4.677 1.00 1.00 H new ATOM 0 HD12 ILE A 54 81.608 17.403 3.975 1.00 1.00 H new ATOM 0 HD13 ILE A 54 81.813 17.344 5.742 1.00 1.00 H new ATOM 824 N PRO A 55 77.976 15.075 7.464 1.00 1.00 N ATOM 825 CA PRO A 55 76.581 14.612 7.701 1.00 1.00 C ATOM 826 C PRO A 55 75.612 15.153 6.644 1.00 1.00 C ATOM 827 O PRO A 55 74.503 15.549 6.944 1.00 1.00 O ATOM 828 CB PRO A 55 76.251 15.174 9.085 1.00 1.00 C ATOM 829 CG PRO A 55 77.086 16.407 9.213 1.00 1.00 C ATOM 830 CD PRO A 55 78.334 16.198 8.346 1.00 1.00 C ATOM 0 HA PRO A 55 76.487 13.528 7.642 1.00 1.00 H new ATOM 0 HB2 PRO A 55 75.190 15.406 9.174 1.00 1.00 H new ATOM 0 HB3 PRO A 55 76.487 14.455 9.869 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.530 17.285 8.883 1.00 1.00 H new ATOM 0 HG3 PRO A 55 77.364 16.578 10.253 1.00 1.00 H new ATOM 0 HD2 PRO A 55 78.576 17.093 7.773 1.00 1.00 H new ATOM 0 HD3 PRO A 55 79.207 15.964 8.955 1.00 1.00 H new ATOM 838 N GLY A 56 76.028 15.172 5.407 1.00 1.00 N ATOM 839 CA GLY A 56 75.139 15.686 4.327 1.00 1.00 C ATOM 840 C GLY A 56 73.847 14.870 4.293 1.00 1.00 C ATOM 841 O GLY A 56 72.820 15.296 4.784 1.00 1.00 O ATOM 0 H GLY A 56 76.946 14.853 5.098 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.912 16.738 4.499 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.646 15.623 3.364 1.00 1.00 H new ATOM 845 N MET A 57 73.887 13.701 3.714 1.00 1.00 N ATOM 846 CA MET A 57 72.657 12.861 3.647 1.00 1.00 C ATOM 847 C MET A 57 72.993 11.529 2.964 1.00 1.00 C ATOM 848 O MET A 57 72.247 11.035 2.142 1.00 1.00 O ATOM 849 CB MET A 57 71.575 13.611 2.848 1.00 1.00 C ATOM 850 CG MET A 57 70.334 13.800 3.722 1.00 1.00 C ATOM 851 SD MET A 57 69.667 12.181 4.182 1.00 1.00 S ATOM 852 CE MET A 57 68.472 12.036 2.830 1.00 1.00 C ATOM 0 H MET A 57 74.717 13.292 3.285 1.00 1.00 H new ATOM 0 HA MET A 57 72.284 12.662 4.652 1.00 1.00 H new ATOM 0 HB2 MET A 57 71.954 14.580 2.522 1.00 1.00 H new ATOM 0 HB3 MET A 57 71.318 13.051 1.949 1.00 1.00 H new ATOM 0 HG2 MET A 57 70.589 14.368 4.617 1.00 1.00 H new ATOM 0 HG3 MET A 57 69.581 14.376 3.184 1.00 1.00 H new ATOM 0 HE1 MET A 57 67.948 11.083 2.908 1.00 1.00 H new ATOM 0 HE2 MET A 57 67.752 12.852 2.892 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.995 12.085 1.875 1.00 1.00 H new ATOM 862 N GLU A 58 74.112 10.947 3.299 1.00 1.00 N ATOM 863 CA GLU A 58 74.501 9.652 2.672 1.00 1.00 C ATOM 864 C GLU A 58 74.603 9.831 1.155 1.00 1.00 C ATOM 865 O GLU A 58 75.681 9.945 0.607 1.00 1.00 O ATOM 866 CB GLU A 58 73.450 8.586 2.996 1.00 1.00 C ATOM 867 CG GLU A 58 73.112 8.638 4.487 1.00 1.00 C ATOM 868 CD GLU A 58 74.378 8.380 5.307 1.00 1.00 C ATOM 869 OE1 GLU A 58 75.162 7.539 4.901 1.00 1.00 O ATOM 870 OE2 GLU A 58 74.541 9.029 6.328 1.00 1.00 O ATOM 0 H GLU A 58 74.775 11.314 3.982 1.00 1.00 H new ATOM 0 HA GLU A 58 75.467 9.334 3.065 1.00 1.00 H new ATOM 0 HB2 GLU A 58 72.551 8.754 2.403 1.00 1.00 H new ATOM 0 HB3 GLU A 58 73.826 7.598 2.732 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.693 9.611 4.742 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.354 7.892 4.725 1.00 1.00 H new ATOM 877 N GLY A 59 73.489 9.862 0.473 1.00 1.00 N ATOM 878 CA GLY A 59 73.525 10.038 -1.009 1.00 1.00 C ATOM 879 C GLY A 59 72.404 9.219 -1.650 1.00 1.00 C ATOM 880 O GLY A 59 71.241 9.551 -1.541 1.00 1.00 O ATOM 0 H GLY A 59 72.557 9.773 0.877 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.410 11.092 -1.263 1.00 1.00 H new ATOM 0 HA3 GLY A 59 74.491 9.719 -1.400 1.00 1.00 H new ATOM 884 N CYS A 60 72.751 8.149 -2.319 1.00 1.00 N ATOM 885 CA CYS A 60 71.719 7.295 -2.978 1.00 1.00 C ATOM 886 C CYS A 60 70.611 8.177 -3.558 1.00 1.00 C ATOM 887 O CYS A 60 69.608 8.431 -2.921 1.00 1.00 O ATOM 888 CB CYS A 60 71.121 6.322 -1.957 1.00 1.00 C ATOM 889 SG CYS A 60 70.957 7.150 -0.356 1.00 1.00 S ATOM 0 H CYS A 60 73.712 7.829 -2.437 1.00 1.00 H new ATOM 0 HA CYS A 60 72.186 6.728 -3.783 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.147 5.973 -2.299 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.758 5.443 -1.860 1.00 1.00 H new ATOM 894 N GLY A 61 70.784 8.644 -4.765 1.00 1.00 N ATOM 895 CA GLY A 61 69.743 9.506 -5.389 1.00 1.00 C ATOM 896 C GLY A 61 68.486 8.677 -5.655 1.00 1.00 C ATOM 897 O GLY A 61 67.559 8.667 -4.870 1.00 1.00 O ATOM 0 H GLY A 61 71.603 8.465 -5.346 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.507 10.343 -4.732 1.00 1.00 H new ATOM 0 HA3 GLY A 61 70.117 9.929 -6.322 1.00 1.00 H new ATOM 901 N THR A 62 68.445 7.979 -6.759 1.00 1.00 N ATOM 902 CA THR A 62 67.244 7.151 -7.075 1.00 1.00 C ATOM 903 C THR A 62 67.679 5.882 -7.813 1.00 1.00 C ATOM 904 O THR A 62 67.370 4.780 -7.407 1.00 1.00 O ATOM 905 CB THR A 62 66.277 7.956 -7.959 1.00 1.00 C ATOM 906 OG1 THR A 62 65.980 7.212 -9.132 1.00 1.00 O ATOM 907 CG2 THR A 62 66.925 9.286 -8.347 1.00 1.00 C ATOM 0 H THR A 62 69.190 7.946 -7.455 1.00 1.00 H new ATOM 0 HA THR A 62 66.740 6.877 -6.148 1.00 1.00 H new ATOM 0 HB THR A 62 65.357 8.150 -7.408 1.00 1.00 H new ATOM 0 HG1 THR A 62 65.362 7.723 -9.696 1.00 1.00 H new ATOM 0 HG21 THR A 62 66.239 9.856 -8.974 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.153 9.856 -7.446 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.846 9.095 -8.898 1.00 1.00 H new ATOM 915 N ASP A 63 68.392 6.028 -8.896 1.00 1.00 N ATOM 916 CA ASP A 63 68.842 4.831 -9.661 1.00 1.00 C ATOM 917 C ASP A 63 69.594 3.878 -8.731 1.00 1.00 C ATOM 918 O ASP A 63 69.412 2.678 -8.777 1.00 1.00 O ATOM 919 CB ASP A 63 69.768 5.272 -10.796 1.00 1.00 C ATOM 920 CG ASP A 63 70.078 4.075 -11.697 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.112 2.968 -11.186 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.277 4.286 -12.882 1.00 1.00 O ATOM 0 H ASP A 63 68.683 6.925 -9.284 1.00 1.00 H new ATOM 0 HA ASP A 63 67.973 4.319 -10.076 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.297 6.065 -11.377 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.692 5.682 -10.387 1.00 1.00 H new ATOM 927 N ILE A 64 70.441 4.402 -7.889 1.00 1.00 N ATOM 928 CA ILE A 64 71.210 3.528 -6.959 1.00 1.00 C ATOM 929 C ILE A 64 70.269 2.984 -5.880 1.00 1.00 C ATOM 930 O ILE A 64 70.202 1.795 -5.644 1.00 1.00 O ATOM 931 CB ILE A 64 72.359 4.343 -6.328 1.00 1.00 C ATOM 932 CG1 ILE A 64 72.477 3.990 -4.844 1.00 1.00 C ATOM 933 CG2 ILE A 64 72.066 5.837 -6.473 1.00 1.00 C ATOM 934 CD1 ILE A 64 73.787 4.552 -4.287 1.00 1.00 C ATOM 0 H ILE A 64 70.634 5.400 -7.805 1.00 1.00 H new ATOM 0 HA ILE A 64 71.638 2.685 -7.502 1.00 1.00 H new ATOM 0 HB ILE A 64 73.294 4.106 -6.836 1.00 1.00 H new ATOM 0 HG12 ILE A 64 71.630 4.400 -4.294 1.00 1.00 H new ATOM 0 HG13 ILE A 64 72.449 2.908 -4.713 1.00 1.00 H new ATOM 0 HG21 ILE A 64 72.878 6.412 -6.027 1.00 1.00 H new ATOM 0 HG22 ILE A 64 71.980 6.090 -7.530 1.00 1.00 H new ATOM 0 HG23 ILE A 64 71.131 6.075 -5.966 1.00 1.00 H new ATOM 0 HD11 ILE A 64 73.871 4.300 -3.230 1.00 1.00 H new ATOM 0 HD12 ILE A 64 74.628 4.121 -4.830 1.00 1.00 H new ATOM 0 HD13 ILE A 64 73.797 5.636 -4.404 1.00 1.00 H new ATOM 946 N THR A 65 69.552 3.850 -5.227 1.00 1.00 N ATOM 947 CA THR A 65 68.609 3.409 -4.153 1.00 1.00 C ATOM 948 C THR A 65 67.981 2.054 -4.510 1.00 1.00 C ATOM 949 O THR A 65 67.630 1.280 -3.641 1.00 1.00 O ATOM 950 CB THR A 65 67.501 4.453 -3.994 1.00 1.00 C ATOM 951 OG1 THR A 65 68.078 5.750 -3.954 1.00 1.00 O ATOM 952 CG2 THR A 65 66.734 4.193 -2.696 1.00 1.00 C ATOM 0 H THR A 65 69.575 4.857 -5.389 1.00 1.00 H new ATOM 0 HA THR A 65 69.163 3.305 -3.220 1.00 1.00 H new ATOM 0 HB THR A 65 66.814 4.386 -4.838 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.370 6.420 -3.854 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.945 4.937 -2.584 1.00 1.00 H new ATOM 0 HG22 THR A 65 66.292 3.197 -2.728 1.00 1.00 H new ATOM 0 HG23 THR A 65 67.418 4.259 -1.850 1.00 1.00 H new ATOM 960 N VAL A 66 67.838 1.759 -5.778 1.00 1.00 N ATOM 961 CA VAL A 66 67.235 0.451 -6.185 1.00 1.00 C ATOM 962 C VAL A 66 68.196 -0.287 -7.122 1.00 1.00 C ATOM 963 O VAL A 66 68.306 -1.496 -7.087 1.00 1.00 O ATOM 964 CB VAL A 66 65.909 0.702 -6.907 1.00 1.00 C ATOM 965 CG1 VAL A 66 64.829 1.058 -5.884 1.00 1.00 C ATOM 966 CG2 VAL A 66 66.078 1.861 -7.892 1.00 1.00 C ATOM 0 H VAL A 66 68.113 2.367 -6.550 1.00 1.00 H new ATOM 0 HA VAL A 66 67.056 -0.157 -5.298 1.00 1.00 H new ATOM 0 HB VAL A 66 65.614 -0.197 -7.448 1.00 1.00 H new ATOM 0 HG11 VAL A 66 63.885 1.237 -6.399 1.00 1.00 H new ATOM 0 HG12 VAL A 66 64.708 0.234 -5.181 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.123 1.957 -5.343 1.00 1.00 H new ATOM 0 HG21 VAL A 66 65.134 2.041 -8.407 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.373 2.759 -7.350 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.847 1.609 -8.622 1.00 1.00 H new ATOM 976 N ILE A 67 68.897 0.435 -7.955 1.00 1.00 N ATOM 977 CA ILE A 67 69.861 -0.211 -8.896 1.00 1.00 C ATOM 978 C ILE A 67 71.172 0.571 -8.865 1.00 1.00 C ATOM 979 O ILE A 67 71.331 1.565 -9.547 1.00 1.00 O ATOM 980 CB ILE A 67 69.288 -0.194 -10.313 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.928 -0.896 -10.320 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.243 -0.924 -11.259 1.00 1.00 C ATOM 983 CD1 ILE A 67 67.272 -0.724 -11.691 1.00 1.00 C ATOM 0 H ILE A 67 68.844 1.451 -8.025 1.00 1.00 H new ATOM 0 HA ILE A 67 70.036 -1.244 -8.597 1.00 1.00 H new ATOM 0 HB ILE A 67 69.168 0.837 -10.644 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.052 -1.955 -10.095 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.287 -0.478 -9.543 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.834 -0.912 -12.269 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.212 -0.425 -11.254 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.364 -1.956 -10.929 1.00 1.00 H new ATOM 0 HD11 ILE A 67 66.303 -1.224 -11.696 1.00 1.00 H new ATOM 0 HD12 ILE A 67 67.134 0.337 -11.898 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.911 -1.163 -12.458 1.00 1.00 H new ATOM 995 N CYS A 68 72.103 0.143 -8.058 1.00 1.00 N ATOM 996 CA CYS A 68 73.400 0.869 -7.948 1.00 1.00 C ATOM 997 C CYS A 68 74.488 0.107 -8.712 1.00 1.00 C ATOM 998 O CYS A 68 74.377 -1.080 -8.948 1.00 1.00 O ATOM 999 CB CYS A 68 73.779 0.987 -6.465 1.00 1.00 C ATOM 1000 SG CYS A 68 72.413 0.377 -5.446 1.00 1.00 S ATOM 0 H CYS A 68 72.021 -0.684 -7.466 1.00 1.00 H new ATOM 0 HA CYS A 68 73.305 1.865 -8.380 1.00 1.00 H new ATOM 0 HB2 CYS A 68 74.683 0.413 -6.262 1.00 1.00 H new ATOM 0 HB3 CYS A 68 73.998 2.025 -6.216 1.00 1.00 H new ATOM 1005 N PRO A 69 75.530 0.798 -9.104 1.00 1.00 N ATOM 1006 CA PRO A 69 76.663 0.204 -9.866 1.00 1.00 C ATOM 1007 C PRO A 69 77.002 -1.219 -9.415 1.00 1.00 C ATOM 1008 O PRO A 69 77.414 -2.045 -10.203 1.00 1.00 O ATOM 1009 CB PRO A 69 77.817 1.157 -9.563 1.00 1.00 C ATOM 1010 CG PRO A 69 77.172 2.491 -9.366 1.00 1.00 C ATOM 1011 CD PRO A 69 75.748 2.233 -8.859 1.00 1.00 C ATOM 0 HA PRO A 69 76.435 0.105 -10.927 1.00 1.00 H new ATOM 0 HB2 PRO A 69 78.362 0.846 -8.672 1.00 1.00 H new ATOM 0 HB3 PRO A 69 78.534 1.182 -10.383 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.734 3.088 -8.648 1.00 1.00 H new ATOM 0 HG3 PRO A 69 77.152 3.051 -10.301 1.00 1.00 H new ATOM 0 HD2 PRO A 69 75.653 2.475 -7.800 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.019 2.843 -9.392 1.00 1.00 H new ATOM 1019 N TRP A 70 76.836 -1.511 -8.156 1.00 1.00 N ATOM 1020 CA TRP A 70 77.155 -2.881 -7.666 1.00 1.00 C ATOM 1021 C TRP A 70 76.290 -3.900 -8.413 1.00 1.00 C ATOM 1022 O TRP A 70 76.787 -4.828 -9.019 1.00 1.00 O ATOM 1023 CB TRP A 70 76.868 -2.959 -6.159 1.00 1.00 C ATOM 1024 CG TRP A 70 76.526 -4.366 -5.786 1.00 1.00 C ATOM 1025 CD1 TRP A 70 77.285 -5.450 -6.066 1.00 1.00 C ATOM 1026 CD2 TRP A 70 75.355 -4.859 -5.071 1.00 1.00 C ATOM 1027 NE1 TRP A 70 76.656 -6.577 -5.570 1.00 1.00 N ATOM 1028 CE2 TRP A 70 75.463 -6.266 -4.948 1.00 1.00 C ATOM 1029 CE3 TRP A 70 74.223 -4.231 -4.525 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 74.480 -7.021 -4.304 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 73.233 -4.986 -3.877 1.00 1.00 C ATOM 1032 CH2 TRP A 70 73.360 -6.377 -3.767 1.00 1.00 C ATOM 0 HA TRP A 70 78.207 -3.103 -7.845 1.00 1.00 H new ATOM 0 HB2 TRP A 70 77.738 -2.624 -5.595 1.00 1.00 H new ATOM 0 HB3 TRP A 70 76.045 -2.293 -5.900 1.00 1.00 H new ATOM 0 HD1 TRP A 70 78.229 -5.437 -6.591 1.00 1.00 H new ATOM 0 HE1 TRP A 70 77.028 -7.523 -5.653 1.00 1.00 H new ATOM 0 HE3 TRP A 70 74.114 -3.159 -4.604 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 74.584 -8.093 -4.221 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 72.368 -4.492 -3.461 1.00 1.00 H new ATOM 0 HH2 TRP A 70 72.594 -6.952 -3.268 1.00 1.00 H new ATOM 1043 N GLU A 71 74.999 -3.735 -8.367 1.00 1.00 N ATOM 1044 CA GLU A 71 74.094 -4.692 -9.063 1.00 1.00 C ATOM 1045 C GLU A 71 74.513 -4.852 -10.527 1.00 1.00 C ATOM 1046 O GLU A 71 74.600 -5.950 -11.040 1.00 1.00 O ATOM 1047 CB GLU A 71 72.662 -4.156 -9.001 1.00 1.00 C ATOM 1048 CG GLU A 71 72.176 -4.163 -7.550 1.00 1.00 C ATOM 1049 CD GLU A 71 71.724 -5.574 -7.170 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.709 -6.010 -7.687 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.401 -6.195 -6.367 1.00 1.00 O ATOM 0 H GLU A 71 74.529 -2.975 -7.875 1.00 1.00 H new ATOM 0 HA GLU A 71 74.154 -5.664 -8.572 1.00 1.00 H new ATOM 0 HB2 GLU A 71 72.624 -3.144 -9.403 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.006 -4.770 -9.618 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.976 -3.835 -6.886 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.352 -3.460 -7.428 1.00 1.00 H new ATOM 1058 N ALA A 72 74.756 -3.767 -11.209 1.00 1.00 N ATOM 1059 CA ALA A 72 75.149 -3.857 -12.646 1.00 1.00 C ATOM 1060 C ALA A 72 76.616 -4.275 -12.780 1.00 1.00 C ATOM 1061 O ALA A 72 76.995 -4.939 -13.724 1.00 1.00 O ATOM 1062 CB ALA A 72 74.955 -2.492 -13.307 1.00 1.00 C ATOM 0 H ALA A 72 74.700 -2.820 -10.834 1.00 1.00 H new ATOM 0 HA ALA A 72 74.524 -4.605 -13.133 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.241 -2.552 -14.357 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.908 -2.197 -13.232 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.577 -1.752 -12.804 1.00 1.00 H new ATOM 1068 N CYS A 73 77.449 -3.882 -11.858 1.00 1.00 N ATOM 1069 CA CYS A 73 78.890 -4.249 -11.958 1.00 1.00 C ATOM 1070 C CYS A 73 79.077 -5.719 -11.577 1.00 1.00 C ATOM 1071 O CYS A 73 79.682 -6.484 -12.302 1.00 1.00 O ATOM 1072 CB CYS A 73 79.708 -3.368 -11.012 1.00 1.00 C ATOM 1073 SG CYS A 73 79.693 -1.661 -11.613 1.00 1.00 S ATOM 0 H CYS A 73 77.197 -3.325 -11.042 1.00 1.00 H new ATOM 0 HA CYS A 73 79.230 -4.097 -12.982 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.293 -3.414 -10.005 1.00 1.00 H new ATOM 0 HB3 CYS A 73 80.733 -3.735 -10.951 1.00 1.00 H new ATOM 1078 N ASN A 74 78.573 -6.122 -10.445 1.00 1.00 N ATOM 1079 CA ASN A 74 78.739 -7.544 -10.031 1.00 1.00 C ATOM 1080 C ASN A 74 77.876 -7.830 -8.800 1.00 1.00 C ATOM 1081 O ASN A 74 77.304 -6.937 -8.208 1.00 1.00 O ATOM 1082 CB ASN A 74 80.213 -7.800 -9.697 1.00 1.00 C ATOM 1083 CG ASN A 74 80.513 -9.295 -9.819 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.701 -10.122 -9.453 1.00 1.00 O ATOM 1085 ND2 ASN A 74 81.655 -9.680 -10.321 1.00 1.00 N ATOM 0 H ASN A 74 78.056 -5.533 -9.792 1.00 1.00 H new ATOM 0 HA ASN A 74 78.426 -8.199 -10.844 1.00 1.00 H new ATOM 0 HB2 ASN A 74 80.853 -7.234 -10.373 1.00 1.00 H new ATOM 0 HB3 ASN A 74 80.433 -7.456 -8.686 1.00 1.00 H new ATOM 0 HD21 ASN A 74 81.865 -10.674 -10.406 1.00 1.00 H new ATOM 0 HD22 ASN A 74 82.337 -8.986 -10.628 1.00 1.00 H new ATOM 1092 N HIS A 75 77.780 -9.071 -8.410 1.00 1.00 N ATOM 1093 CA HIS A 75 76.956 -9.419 -7.218 1.00 1.00 C ATOM 1094 C HIS A 75 77.819 -9.324 -5.958 1.00 1.00 C ATOM 1095 O HIS A 75 79.032 -9.359 -6.019 1.00 1.00 O ATOM 1096 CB HIS A 75 76.421 -10.845 -7.370 1.00 1.00 C ATOM 1097 CG HIS A 75 77.489 -11.722 -7.964 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.800 -11.699 -7.511 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.456 -12.652 -8.975 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.497 -12.589 -8.240 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.726 -13.195 -9.144 1.00 1.00 N ATOM 0 H HIS A 75 78.237 -9.861 -8.866 1.00 1.00 H new ATOM 0 HA HIS A 75 76.119 -8.725 -7.135 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.114 -11.235 -6.399 1.00 1.00 H new ATOM 0 HB3 HIS A 75 75.537 -10.847 -8.008 1.00 1.00 H new ATOM 0 HD1 HIS A 75 79.168 -11.114 -6.761 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.581 -12.920 -9.549 1.00 1.00 H new ATOM 0 HE1 HIS A 75 80.550 -12.788 -8.109 1.00 1.00 H new ATOM 1110 N CYS A 76 77.201 -9.202 -4.814 1.00 1.00 N ATOM 1111 CA CYS A 76 77.981 -9.103 -3.547 1.00 1.00 C ATOM 1112 C CYS A 76 77.177 -9.729 -2.407 1.00 1.00 C ATOM 1113 O CYS A 76 77.702 -10.024 -1.351 1.00 1.00 O ATOM 1114 CB CYS A 76 78.257 -7.631 -3.232 1.00 1.00 C ATOM 1115 SG CYS A 76 78.887 -7.481 -1.542 1.00 1.00 S ATOM 0 H CYS A 76 76.188 -9.167 -4.702 1.00 1.00 H new ATOM 0 HA CYS A 76 78.927 -9.633 -3.658 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.982 -7.227 -3.939 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.343 -7.047 -3.344 1.00 1.00 H new ATOM 1120 N GLU A 77 75.905 -9.938 -2.613 1.00 1.00 N ATOM 1121 CA GLU A 77 75.068 -10.550 -1.543 1.00 1.00 C ATOM 1122 C GLU A 77 75.488 -12.008 -1.346 1.00 1.00 C ATOM 1123 O GLU A 77 75.217 -12.610 -0.326 1.00 1.00 O ATOM 1124 CB GLU A 77 73.588 -10.480 -1.945 1.00 1.00 C ATOM 1125 CG GLU A 77 73.301 -11.513 -3.036 1.00 1.00 C ATOM 1126 CD GLU A 77 74.330 -11.370 -4.159 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.411 -10.294 -4.728 1.00 1.00 O ATOM 1128 OE2 GLU A 77 75.020 -12.339 -4.430 1.00 1.00 O ATOM 0 H GLU A 77 75.410 -9.711 -3.476 1.00 1.00 H new ATOM 0 HA GLU A 77 75.208 -10.005 -0.609 1.00 1.00 H new ATOM 0 HB2 GLU A 77 72.956 -10.668 -1.077 1.00 1.00 H new ATOM 0 HB3 GLU A 77 73.346 -9.480 -2.305 1.00 1.00 H new ATOM 0 HG2 GLU A 77 73.341 -12.519 -2.618 1.00 1.00 H new ATOM 0 HG3 GLU A 77 72.295 -11.371 -3.430 1.00 1.00 H new ATOM 1135 N LEU A 78 76.151 -12.579 -2.314 1.00 1.00 N ATOM 1136 CA LEU A 78 76.590 -13.996 -2.182 1.00 1.00 C ATOM 1137 C LEU A 78 77.413 -14.148 -0.902 1.00 1.00 C ATOM 1138 O LEU A 78 77.036 -14.855 0.012 1.00 1.00 O ATOM 1139 CB LEU A 78 77.446 -14.377 -3.398 1.00 1.00 C ATOM 1140 CG LEU A 78 77.373 -15.888 -3.626 1.00 1.00 C ATOM 1141 CD1 LEU A 78 77.727 -16.618 -2.329 1.00 1.00 C ATOM 1142 CD2 LEU A 78 75.954 -16.270 -4.053 1.00 1.00 C ATOM 0 H LEU A 78 76.407 -12.125 -3.191 1.00 1.00 H new ATOM 0 HA LEU A 78 75.720 -14.652 -2.134 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.093 -13.848 -4.283 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.480 -14.073 -3.236 1.00 1.00 H new ATOM 0 HG LEU A 78 78.078 -16.172 -4.407 1.00 1.00 H new ATOM 0 HD11 LEU A 78 77.675 -17.695 -2.492 1.00 1.00 H new ATOM 0 HD12 LEU A 78 78.737 -16.346 -2.022 1.00 1.00 H new ATOM 0 HD13 LEU A 78 77.022 -16.335 -1.548 1.00 1.00 H new ATOM 0 HD21 LEU A 78 75.900 -17.346 -4.216 1.00 1.00 H new ATOM 0 HD22 LEU A 78 75.250 -15.986 -3.271 1.00 1.00 H new ATOM 0 HD23 LEU A 78 75.700 -15.750 -4.977 1.00 1.00 H new ATOM 1154 N HIS A 79 78.536 -13.488 -0.829 1.00 1.00 N ATOM 1155 CA HIS A 79 79.387 -13.592 0.391 1.00 1.00 C ATOM 1156 C HIS A 79 78.986 -12.496 1.384 1.00 1.00 C ATOM 1157 O HIS A 79 78.076 -11.728 1.140 1.00 1.00 O ATOM 1158 CB HIS A 79 80.862 -13.420 0.002 1.00 1.00 C ATOM 1159 CG HIS A 79 81.046 -13.799 -1.442 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.815 -13.110 -2.608 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 81.530 -15.041 -1.824 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 81.151 -13.913 -3.694 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 81.575 -15.064 -3.168 1.00 1.00 N flip ATOM 0 H HIS A 79 78.902 -12.880 -1.562 1.00 1.00 H new ATOM 0 HA HIS A 79 79.247 -14.569 0.853 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.173 -12.388 0.161 1.00 1.00 H new ATOM 0 HB3 HIS A 79 81.492 -14.044 0.636 1.00 1.00 H new ATOM 0 HD2 HIS A 79 81.819 -15.844 -1.162 1.00 1.00 H new ATOM 0 HE1 HIS A 79 81.083 -13.658 -4.741 1.00 1.00 H new ATOM 0 HE2 HIS A 79 81.894 -15.862 -3.717 1.00 1.00 H new ATOM 1172 N GLU A 80 79.659 -12.417 2.500 1.00 1.00 N ATOM 1173 CA GLU A 80 79.320 -11.371 3.509 1.00 1.00 C ATOM 1174 C GLU A 80 80.251 -10.170 3.325 1.00 1.00 C ATOM 1175 O GLU A 80 80.189 -9.471 2.334 1.00 1.00 O ATOM 1176 CB GLU A 80 79.498 -11.943 4.918 1.00 1.00 C ATOM 1177 CG GLU A 80 78.424 -13.000 5.180 1.00 1.00 C ATOM 1178 CD GLU A 80 78.415 -13.362 6.667 1.00 1.00 C ATOM 1179 OE1 GLU A 80 78.065 -12.506 7.462 1.00 1.00 O ATOM 1180 OE2 GLU A 80 78.758 -14.489 6.984 1.00 1.00 O ATOM 0 H GLU A 80 80.430 -13.033 2.758 1.00 1.00 H new ATOM 0 HA GLU A 80 78.285 -11.056 3.374 1.00 1.00 H new ATOM 0 HB2 GLU A 80 80.490 -12.384 5.020 1.00 1.00 H new ATOM 0 HB3 GLU A 80 79.426 -11.145 5.657 1.00 1.00 H new ATOM 0 HG2 GLU A 80 77.446 -12.622 4.881 1.00 1.00 H new ATOM 0 HG3 GLU A 80 78.619 -13.889 4.580 1.00 1.00 H new ATOM 1187 N LEU A 81 81.114 -9.927 4.272 1.00 1.00 N ATOM 1188 CA LEU A 81 82.048 -8.772 4.151 1.00 1.00 C ATOM 1189 C LEU A 81 83.165 -9.120 3.164 1.00 1.00 C ATOM 1190 O LEU A 81 83.991 -8.293 2.829 1.00 1.00 O ATOM 1191 CB LEU A 81 82.645 -8.444 5.528 1.00 1.00 C ATOM 1192 CG LEU A 81 83.695 -9.492 5.900 1.00 1.00 C ATOM 1193 CD1 LEU A 81 84.244 -9.192 7.296 1.00 1.00 C ATOM 1194 CD2 LEU A 81 83.051 -10.881 5.895 1.00 1.00 C ATOM 0 H LEU A 81 81.213 -10.478 5.125 1.00 1.00 H new ATOM 0 HA LEU A 81 81.505 -7.901 3.784 1.00 1.00 H new ATOM 0 HB2 LEU A 81 83.097 -7.452 5.512 1.00 1.00 H new ATOM 0 HB3 LEU A 81 81.857 -8.422 6.281 1.00 1.00 H new ATOM 0 HG LEU A 81 84.509 -9.464 5.176 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.992 -9.939 7.561 1.00 1.00 H new ATOM 0 HD12 LEU A 81 84.701 -8.202 7.302 1.00 1.00 H new ATOM 0 HD13 LEU A 81 83.430 -9.221 8.021 1.00 1.00 H new ATOM 0 HD21 LEU A 81 83.798 -11.629 6.160 1.00 1.00 H new ATOM 0 HD22 LEU A 81 82.238 -10.908 6.620 1.00 1.00 H new ATOM 0 HD23 LEU A 81 82.658 -11.096 4.901 1.00 1.00 H new ATOM 1206 N ALA A 82 83.199 -10.336 2.696 1.00 1.00 N ATOM 1207 CA ALA A 82 84.264 -10.734 1.734 1.00 1.00 C ATOM 1208 C ALA A 82 84.054 -10.004 0.406 1.00 1.00 C ATOM 1209 O ALA A 82 84.817 -9.132 0.041 1.00 1.00 O ATOM 1210 CB ALA A 82 84.206 -12.245 1.503 1.00 1.00 C ATOM 0 H ALA A 82 82.535 -11.072 2.938 1.00 1.00 H new ATOM 0 HA ALA A 82 85.239 -10.467 2.143 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.986 -12.536 0.799 1.00 1.00 H new ATOM 0 HB2 ALA A 82 84.360 -12.764 2.449 1.00 1.00 H new ATOM 0 HB3 ALA A 82 83.231 -12.514 1.096 1.00 1.00 H new ATOM 1216 N GLN A 83 83.029 -10.353 -0.323 1.00 1.00 N ATOM 1217 CA GLN A 83 82.778 -9.679 -1.629 1.00 1.00 C ATOM 1218 C GLN A 83 84.087 -9.597 -2.416 1.00 1.00 C ATOM 1219 O GLN A 83 84.776 -8.597 -2.390 1.00 1.00 O ATOM 1220 CB GLN A 83 82.243 -8.265 -1.383 1.00 1.00 C ATOM 1221 CG GLN A 83 81.808 -7.644 -2.712 1.00 1.00 C ATOM 1222 CD GLN A 83 81.379 -6.194 -2.482 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.703 -5.605 -1.470 1.00 1.00 O ATOM 1224 NE2 GLN A 83 80.659 -5.588 -3.386 1.00 1.00 N ATOM 0 H GLN A 83 82.355 -11.076 -0.071 1.00 1.00 H new ATOM 0 HA GLN A 83 82.044 -10.250 -2.197 1.00 1.00 H new ATOM 0 HB2 GLN A 83 81.400 -8.299 -0.692 1.00 1.00 H new ATOM 0 HB3 GLN A 83 83.013 -7.650 -0.917 1.00 1.00 H new ATOM 0 HG2 GLN A 83 82.628 -7.682 -3.429 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.984 -8.215 -3.140 1.00 1.00 H new ATOM 0 HE21 GLN A 83 80.386 -6.082 -4.236 1.00 1.00 H new ATOM 0 HE22 GLN A 83 80.369 -4.621 -3.243 1.00 1.00 H new ATOM 1233 N TYR A 84 84.439 -10.643 -3.112 1.00 1.00 N ATOM 1234 CA TYR A 84 85.706 -10.626 -3.895 1.00 1.00 C ATOM 1235 C TYR A 84 86.859 -10.209 -2.979 1.00 1.00 C ATOM 1236 O TYR A 84 87.939 -9.886 -3.432 1.00 1.00 O ATOM 1237 CB TYR A 84 85.578 -9.632 -5.053 1.00 1.00 C ATOM 1238 CG TYR A 84 84.789 -10.265 -6.174 1.00 1.00 C ATOM 1239 CD1 TYR A 84 85.447 -11.019 -7.154 1.00 1.00 C ATOM 1240 CD2 TYR A 84 83.401 -10.099 -6.234 1.00 1.00 C ATOM 1241 CE1 TYR A 84 84.716 -11.606 -8.193 1.00 1.00 C ATOM 1242 CE2 TYR A 84 82.670 -10.686 -7.274 1.00 1.00 C ATOM 1243 CZ TYR A 84 83.327 -11.440 -8.253 1.00 1.00 C ATOM 1244 OH TYR A 84 82.607 -12.018 -9.278 1.00 1.00 O ATOM 0 H TYR A 84 83.903 -11.509 -3.172 1.00 1.00 H new ATOM 0 HA TYR A 84 85.903 -11.620 -4.297 1.00 1.00 H new ATOM 0 HB2 TYR A 84 85.082 -8.723 -4.713 1.00 1.00 H new ATOM 0 HB3 TYR A 84 86.567 -9.342 -5.408 1.00 1.00 H new ATOM 0 HD1 TYR A 84 86.518 -11.147 -7.108 1.00 1.00 H new ATOM 0 HD2 TYR A 84 82.893 -9.518 -5.478 1.00 1.00 H new ATOM 0 HE1 TYR A 84 85.223 -12.187 -8.949 1.00 1.00 H new ATOM 0 HE2 TYR A 84 81.599 -10.557 -7.321 1.00 1.00 H new ATOM 0 HH TYR A 84 82.461 -12.967 -9.081 1.00 1.00 H new ATOM 1254 N GLY A 85 86.638 -10.216 -1.692 1.00 1.00 N ATOM 1255 CA GLY A 85 87.720 -9.823 -0.745 1.00 1.00 C ATOM 1256 C GLY A 85 87.640 -8.321 -0.475 1.00 1.00 C ATOM 1257 O GLY A 85 87.534 -7.885 0.654 1.00 1.00 O ATOM 0 H GLY A 85 85.754 -10.477 -1.256 1.00 1.00 H new ATOM 0 HA2 GLY A 85 87.620 -10.377 0.188 1.00 1.00 H new ATOM 0 HA3 GLY A 85 88.694 -10.077 -1.163 1.00 1.00 H new ATOM 1261 N ILE A 86 87.690 -7.525 -1.507 1.00 1.00 N ATOM 1262 CA ILE A 86 87.618 -6.048 -1.322 1.00 1.00 C ATOM 1263 C ILE A 86 86.834 -5.433 -2.482 1.00 1.00 C ATOM 1264 O ILE A 86 86.212 -6.129 -3.260 1.00 1.00 O ATOM 1265 CB ILE A 86 89.033 -5.469 -1.296 1.00 1.00 C ATOM 1266 CG1 ILE A 86 89.882 -6.152 -2.371 1.00 1.00 C ATOM 1267 CG2 ILE A 86 89.660 -5.712 0.078 1.00 1.00 C ATOM 1268 CD1 ILE A 86 91.227 -5.434 -2.492 1.00 1.00 C ATOM 0 H ILE A 86 87.778 -7.835 -2.475 1.00 1.00 H new ATOM 0 HA ILE A 86 87.117 -5.820 -0.381 1.00 1.00 H new ATOM 0 HB ILE A 86 88.990 -4.397 -1.491 1.00 1.00 H new ATOM 0 HG12 ILE A 86 90.039 -7.200 -2.114 1.00 1.00 H new ATOM 0 HG13 ILE A 86 89.360 -6.133 -3.328 1.00 1.00 H new ATOM 0 HG21 ILE A 86 90.669 -5.299 0.096 1.00 1.00 H new ATOM 0 HG22 ILE A 86 89.056 -5.227 0.845 1.00 1.00 H new ATOM 0 HG23 ILE A 86 89.703 -6.783 0.274 1.00 1.00 H new ATOM 0 HD11 ILE A 86 91.832 -5.920 -3.258 1.00 1.00 H new ATOM 0 HD12 ILE A 86 91.060 -4.393 -2.769 1.00 1.00 H new ATOM 0 HD13 ILE A 86 91.749 -5.476 -1.536 1.00 1.00 H new ATOM 1280 N CYS A 87 86.857 -4.134 -2.605 1.00 1.00 N ATOM 1281 CA CYS A 87 86.112 -3.480 -3.716 1.00 1.00 C ATOM 1282 C CYS A 87 86.853 -3.710 -5.035 1.00 1.00 C ATOM 1283 CB CYS A 87 86.007 -1.977 -3.447 1.00 1.00 C ATOM 1284 SG CYS A 87 85.521 -1.704 -1.725 1.00 1.00 S ATOM 0 H CYS A 87 87.359 -3.499 -1.985 1.00 1.00 H new ATOM 0 HA CYS A 87 85.112 -3.909 -3.781 1.00 1.00 H new ATOM 0 HB2 CYS A 87 86.963 -1.493 -3.647 1.00 1.00 H new ATOM 0 HB3 CYS A 87 85.275 -1.527 -4.118 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.828 -13.678 5.944 1.00 1.00 C HETATM 1291 O1G RCY A 110 65.998 -12.904 5.130 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.944 -14.362 3.196 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.944 -13.786 8.952 1.00 1.00 O HETATM 1294 C1L RCY A 110 65.163 -12.957 2.830 1.00 1.00 C HETATM 1295 C1M RCY A 110 64.308 -14.084 7.135 1.00 1.00 C HETATM 1296 C1P RCY A 110 65.105 -13.213 4.342 1.00 1.00 C HETATM 1297 C1Q RCY A 110 63.137 -14.143 3.397 1.00 1.00 C HETATM 1298 N1R RCY A 110 63.802 -13.899 4.747 1.00 1.00 N HETATM 1299 C1S RCY A 110 64.225 -14.066 2.341 1.00 1.00 C HETATM 1300 C1U RCY A 110 63.286 -14.253 6.143 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.523 -11.856 6.430 1.00 1.00 C HETATM 1302 N1V RCY A 110 62.119 -13.687 8.091 1.00 1.00 N HETATM 1303 C1W RCY A 110 63.580 -13.915 8.475 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.161 -13.332 6.611 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.128 -12.706 9.237 1.00 1.00 C HETATM 1306 C1Z RCY A 110 63.682 -15.181 9.326 1.00 1.00 C HETATM 0 H1ZB RCY A 110 63.232 -16.017 8.790 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 64.731 -15.401 9.527 1.00 1.00 H new HETATM 0 H1YB RCY A 110 65.192 -12.848 9.429 1.00 1.00 H new HETATM 0 H1YA RCY A 110 63.984 -11.805 8.641 1.00 1.00 H new HETATM 0 H1VB RCY A 110 62.604 -11.629 5.367 1.00 1.00 H new HETATM 0 H1VA RCY A 110 61.747 -11.234 6.876 1.00 1.00 H new HETATM 0 H1MA RCY A 110 64.973 -14.947 7.160 1.00 1.00 H new HETATM 0 H1LA RCY A 110 64.809 -11.962 2.561 1.00 1.00 H new HETATM 0 H1CB RCY A 110 60.925 -13.577 4.863 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.554 -14.704 6.189 1.00 1.00 H new HETATM 0 H1Z RCY A 110 63.156 -15.029 10.269 1.00 1.00 H new HETATM 0 H1Y RCY A 110 63.599 -12.603 10.184 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.476 -11.653 6.918 1.00 1.00 H new HETATM 0 H1U RCY A 110 62.947 -15.285 6.050 1.00 1.00 H new HETATM 0 H1S RCY A 110 64.751 -15.016 2.244 1.00 1.00 H new HETATM 0 H1M RCY A 110 64.924 -13.213 6.914 1.00 1.00 H new HETATM 0 H1L RCY A 110 66.171 -13.056 2.428 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.054 -13.000 6.304 1.00 1.00 H new HETATM 1309 C1C RCY A 121 57.330 0.812 2.412 1.00 1.00 C HETATM 1310 O1G RCY A 121 59.246 2.418 6.214 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.097 2.830 1.889 1.00 1.00 O HETATM 1312 O1J RCY A 121 55.345 2.547 0.957 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.515 2.168 5.332 1.00 1.00 C HETATM 1314 C1M RCY A 121 58.143 4.400 2.814 1.00 1.00 C HETATM 1315 C1P RCY A 121 60.004 2.417 5.245 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.847 2.437 3.027 1.00 1.00 C HETATM 1317 N1R RCY A 121 59.557 2.663 3.805 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.774 1.632 3.920 1.00 1.00 C HETATM 1319 C1U RCY A 121 58.173 3.040 3.270 1.00 1.00 C HETATM 1320 C1V RCY A 121 58.876 2.221 0.979 1.00 1.00 C HETATM 1321 N1V RCY A 121 56.581 3.043 1.555 1.00 1.00 N HETATM 1322 C1W RCY A 121 56.968 4.494 1.832 1.00 1.00 C HETATM 1323 C1X RCY A 121 57.772 2.228 2.039 1.00 1.00 C HETATM 1324 C1Y RCY A 121 57.402 5.190 0.539 1.00 1.00 C HETATM 1325 C1Z RCY A 121 55.777 5.218 2.460 1.00 1.00 C HETATM 0 H1ZB RCY A 121 55.447 4.675 3.345 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 56.073 6.228 2.744 1.00 1.00 H new HETATM 0 H1YB RCY A 121 57.753 6.196 0.768 1.00 1.00 H new HETATM 0 H1YA RCY A 121 58.207 4.622 0.073 1.00 1.00 H new HETATM 0 H1VB RCY A 121 59.743 1.682 1.361 1.00 1.00 H new HETATM 0 H1MA RCY A 121 58.009 5.088 3.649 1.00 1.00 H new HETATM 0 H1CA RCY A 121 56.472 0.863 3.082 1.00 1.00 H new HETATM 0 H1Z RCY A 121 54.961 5.268 1.739 1.00 1.00 H new HETATM 0 H1Y RCY A 121 56.555 5.247 -0.145 1.00 1.00 H new HETATM 0 H1U RCY A 121 57.501 2.856 4.108 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.559 0.565 3.855 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.775 1.447 6.107 1.00 1.00 H new HETATM 1328 C1C RCY A 130 80.048 14.935 -9.377 1.00 1.00 C HETATM 1329 O1G RCY A 130 77.172 15.426 -7.302 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.911 12.400 -4.926 1.00 1.00 O HETATM 1331 O1J RCY A 130 82.947 15.746 -9.307 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.693 13.471 -5.910 1.00 1.00 C HETATM 1333 C1M RCY A 130 81.386 14.825 -5.928 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.592 14.485 -6.630 1.00 1.00 C HETATM 1335 C1Q RCY A 130 79.016 12.877 -5.622 1.00 1.00 C HETATM 1336 N1R RCY A 130 79.073 14.181 -6.409 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.644 12.271 -5.856 1.00 1.00 C HETATM 1338 C1U RCY A 130 80.303 14.972 -6.858 1.00 1.00 C HETATM 1339 C1V RCY A 130 81.077 12.954 -8.175 1.00 1.00 C HETATM 1340 N1V RCY A 130 82.230 15.177 -8.170 1.00 1.00 N HETATM 1341 C1W RCY A 130 82.665 15.157 -6.706 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.881 14.471 -8.180 1.00 1.00 C HETATM 1343 C1Y RCY A 130 83.729 14.080 -6.478 1.00 1.00 C HETATM 1344 C1Z RCY A 130 83.204 16.536 -6.326 1.00 1.00 C HETATM 0 H1ZB RCY A 130 82.454 17.294 -6.552 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 83.432 16.557 -5.260 1.00 1.00 H new HETATM 0 H1YB RCY A 130 83.967 14.023 -5.416 1.00 1.00 H new HETATM 0 H1YA RCY A 130 83.350 13.116 -6.817 1.00 1.00 H new HETATM 0 H1VB RCY A 130 80.106 12.462 -8.126 1.00 1.00 H new HETATM 0 H1VA RCY A 130 81.592 12.651 -9.087 1.00 1.00 H new HETATM 0 H1MA RCY A 130 81.263 15.495 -5.077 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.392 13.810 -4.919 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.031 14.554 -9.282 1.00 1.00 H new HETATM 0 H1CA RCY A 130 80.026 16.024 -9.405 1.00 1.00 H new HETATM 0 H1Z RCY A 130 84.111 16.742 -6.895 1.00 1.00 H new HETATM 0 H1Y RCY A 130 84.629 14.333 -7.038 1.00 1.00 H new HETATM 0 H1V RCY A 130 81.673 12.667 -7.309 1.00 1.00 H new HETATM 0 H1U RCY A 130 79.946 15.999 -6.940 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.616 11.701 -6.785 1.00 1.00 H new HETATM 0 H1M RCY A 130 81.424 13.810 -5.531 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.780 13.255 -6.464 1.00 1.00 H new HETATM 0 H1C RCY A 130 80.493 14.558 -10.298 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.044 4.797 4.255 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.537 7.651 5.682 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.426 5.630 6.829 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.922 3.953 1.501 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.364 7.330 7.805 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.377 6.179 3.431 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.544 7.245 6.284 1.00 1.00 C HETATM 1354 C1Q RCY A 138 81.383 6.401 6.781 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.337 6.595 5.609 1.00 1.00 N HETATM 1356 C1S RCY A 138 81.833 7.339 7.887 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.129 6.229 4.138 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.312 3.781 4.759 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.786 4.632 2.463 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.134 5.299 2.199 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.544 4.830 3.952 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.237 4.245 2.065 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.036 6.141 0.926 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.209 6.845 1.018 1.00 1.00 H new HETATM 0 H1YB RCY A 138 85.203 4.740 1.961 1.00 1.00 H new HETATM 0 H1YA RCY A 138 84.247 3.614 2.954 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.175 3.969 5.824 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.936 2.787 4.515 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.699 7.178 3.138 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.805 6.480 8.326 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.874 5.104 5.287 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.522 5.478 3.583 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.864 5.488 0.070 1.00 1.00 H new HETATM 0 H1Y RCY A 138 84.048 3.630 1.185 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.373 3.838 4.514 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.455 6.999 3.762 1.00 1.00 H new HETATM 0 H1S RCY A 138 81.434 8.343 7.742 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.164 5.761 4.059 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.810 8.230 8.229 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.666 3.785 4.111 1.00 1.00 H new HETATM 1366 C1C RCY A 150 86.389 -0.784 4.838 1.00 1.00 C HETATM 1367 O1G RCY A 150 88.618 2.503 5.884 1.00 1.00 O HETATM 1368 O1H RCY A 150 87.576 2.072 3.874 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.304 -1.374 2.747 1.00 1.00 O HETATM 1370 C1L RCY A 150 86.507 2.302 4.550 1.00 1.00 C HETATM 1371 C1M RCY A 150 84.313 2.199 4.139 1.00 1.00 C HETATM 1372 C1P RCY A 150 87.518 2.894 5.548 1.00 1.00 C HETATM 1373 C1Q RCY A 150 87.491 2.608 4.977 1.00 1.00 C HETATM 1374 N1R RCY A 150 86.158 2.289 5.746 1.00 1.00 N HETATM 1375 C1S RCY A 150 86.505 2.648 6.070 1.00 1.00 C HETATM 1376 C1U RCY A 150 85.144 1.414 5.007 1.00 1.00 C HETATM 1377 C1V RCY A 150 86.844 1.064 3.164 1.00 1.00 C HETATM 1378 N1V RCY A 150 84.597 -0.037 3.255 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.762 1.230 3.085 1.00 1.00 C HETATM 1380 C1X RCY A 150 85.804 0.404 4.071 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.942 1.807 1.678 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.293 0.900 3.348 1.00 1.00 C HETATM 0 H1ZB RCY A 150 82.194 0.437 4.330 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 81.703 1.816 3.318 1.00 1.00 H new HETATM 0 H1YB RCY A 150 83.407 2.754 1.602 1.00 1.00 H new HETATM 0 H1YA RCY A 150 85.002 1.973 1.486 1.00 1.00 H new HETATM 0 H1VA RCY A 150 87.209 0.336 2.439 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.503 2.670 4.696 1.00 1.00 H new HETATM 0 H1LA RCY A 150 85.987 2.896 3.798 1.00 1.00 H new HETATM 0 H1CB RCY A 150 87.141 -0.428 5.542 1.00 1.00 H new HETATM 0 H1CA RCY A 150 85.594 -1.292 5.383 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.932 0.211 2.584 1.00 1.00 H new HETATM 0 H1Y RCY A 150 83.545 1.106 0.944 1.00 1.00 H new HETATM 0 H1V RCY A 150 86.388 1.903 2.638 1.00 1.00 H new HETATM 0 H1U RCY A 150 84.586 0.919 5.802 1.00 1.00 H new HETATM 0 H1S RCY A 150 86.449 1.898 6.859 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.886 3.000 3.671 1.00 1.00 H new HETATM 0 H1C RCY A 150 86.849 -1.479 4.136 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.259 2.144 2.425 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.872 2.599 1.067 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.177 7.274 1.660 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.507 2.780 0.524 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.770 4.500 -0.011 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.485 5.601 2.913 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.701 3.815 0.999 1.00 1.00 C HETATM 1392 C1Q RCY A 160 72.740 6.140 1.473 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.388 4.832 1.909 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.448 5.785 0.760 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.454 4.606 2.983 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.045 2.942 4.037 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.104 3.641 1.633 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.494 5.099 1.872 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.203 3.286 2.807 1.00 1.00 C HETATM 1400 C1Y RCY A 160 77.921 5.188 2.419 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.370 5.872 0.559 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.365 5.746 0.156 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 76.558 6.930 0.741 1.00 1.00 H new HETATM 0 H1YB RCY A 160 78.153 6.225 2.664 1.00 1.00 H new HETATM 0 H1YA RCY A 160 78.005 4.575 3.317 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.388 2.744 4.884 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.646 2.057 3.830 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.074 6.568 2.622 1.00 1.00 H new HETATM 0 H1LA RCY A 160 72.261 4.697 -0.964 1.00 1.00 H new HETATM 0 H1Z RCY A 160 77.099 5.492 -0.157 1.00 1.00 H new HETATM 0 H1Y RCY A 160 78.622 4.828 1.666 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.701 3.779 4.274 1.00 1.00 H new HETATM 0 H1U RCY A 160 73.899 4.631 3.921 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.635 5.628 1.469 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.962 5.736 3.884 1.00 1.00 H new HETATM 0 H1L RCY A 160 70.880 3.908 -0.227 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.830 1.223 2.309 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.966 0.225 1.204 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.970 3.000 -1.270 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.050 -0.143 -2.984 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.571 1.428 3.450 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.186 1.874 -3.431 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.422 2.680 -0.074 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.598 2.234 -1.998 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.283 0.814 -2.878 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.886 1.522 -1.588 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.555 1.508 -4.014 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.602 1.514 -0.236 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.609 2.699 0.783 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.606 1.908 2.071 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.623 2.854 1.437 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.636 1.576 0.946 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.342 4.300 1.855 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.030 2.434 1.862 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.188 1.385 1.610 1.00 1.00 H new HETATM 0 H1VB RCY A 168 70.956 2.475 -0.060 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.013 2.782 1.692 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.378 2.557 -0.583 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.482 1.043 -3.466 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.405 -0.078 0.320 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.728 -0.523 1.424 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.174 0.586 -0.239 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.094 2.395 -4.347 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.941 3.557 -0.507 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.720 2.709 -3.953 1.00 1.00 H new HETATM 0 H1C RCY A 168 71.287 0.312 2.052 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.730 0.576 -6.267 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.010 -1.372 -9.517 1.00 1.00 O HETATM 1425 O1H RCY A 173 79.645 -1.479 -8.617 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.949 -0.321 -3.501 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.984 -1.682 -10.930 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.275 -2.190 -6.401 1.00 1.00 C HETATM 1429 C1P RCY A 173 76.235 -1.418 -9.617 1.00 1.00 C HETATM 1430 C1Q RCY A 173 78.555 -1.261 -9.145 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.200 -1.218 -8.450 1.00 1.00 N HETATM 1432 C1S RCY A 173 78.313 -0.986 -10.618 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.896 -1.024 -6.963 1.00 1.00 C HETATM 1434 C1V RCY A 173 79.203 -1.911 -6.412 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.578 -1.026 -4.724 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.525 -2.119 -4.889 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.156 -0.834 -6.120 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.056 -3.458 -4.368 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.258 -1.712 -4.136 1.00 1.00 C HETATM 0 H1ZB RCY A 173 74.930 -0.731 -4.480 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.472 -2.444 -4.324 1.00 1.00 H new HETATM 0 H1VB RCY A 173 79.568 -1.797 -7.433 1.00 1.00 H new HETATM 0 H1VA RCY A 173 80.035 -1.808 -5.716 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.207 -2.206 -6.619 1.00 1.00 H new HETATM 0 H1CB RCY A 173 78.986 0.758 -7.311 1.00 1.00 H new HETATM 0 H1CA RCY A 173 77.988 1.306 -5.943 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.467 -1.671 -3.067 1.00 1.00 H new HETATM 0 H1Y RCY A 173 77.227 -3.388 -3.294 1.00 1.00 H new HETATM 0 H1V RCY A 173 78.753 -2.897 -6.296 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.256 -0.142 -6.932 1.00 1.00 H new HETATM 0 H1S RCY A 173 78.256 0.084 -10.817 1.00 1.00 H new HETATM 0 H1L RCY A 173 76.479 -1.249 -11.793 1.00 1.00 H new HETATM 0 H1C RCY A 173 79.625 0.670 -5.652 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.195 -2.318 2.019 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.919 -2.471 -0.936 1.00 1.00 O HETATM 1444 O1H RCY A 176 80.580 -6.094 0.512 1.00 1.00 O HETATM 1445 O1J RCY A 176 78.938 -4.517 3.938 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.916 -4.863 -1.452 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.660 -3.482 1.442 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.431 -3.580 -0.788 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.920 -5.327 -0.187 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.659 -3.850 0.080 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.211 -5.681 -1.482 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.435 -2.892 0.986 1.00 1.00 C HETATM 1453 C1V RCY A 176 80.330 -1.387 3.020 1.00 1.00 C HETATM 1454 N1V RCY A 176 79.887 -3.852 3.049 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.302 -4.299 2.690 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.685 -2.557 2.274 1.00 1.00 C HETATM 1457 C1Y RCY A 176 82.270 -3.986 3.835 1.00 1.00 C HETATM 1458 C1Z RCY A 176 81.292 -5.798 2.388 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.555 -6.008 1.613 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 82.279 -6.106 2.043 1.00 1.00 H new HETATM 0 H1YB RCY A 176 83.287 -4.234 3.530 1.00 1.00 H new HETATM 0 H1YA RCY A 176 82.214 -2.925 4.079 1.00 1.00 H new HETATM 0 H1VB RCY A 176 80.226 -0.477 2.429 1.00 1.00 H new HETATM 0 H1VA RCY A 176 79.836 -1.253 3.982 1.00 1.00 H new HETATM 0 H1MA RCY A 176 82.096 -4.118 0.672 1.00 1.00 H new HETATM 0 H1LA RCY A 176 77.130 -5.347 -0.872 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.073 -1.485 1.326 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.751 -3.216 1.589 1.00 1.00 H new HETATM 0 H1Z RCY A 176 81.035 -6.350 3.292 1.00 1.00 H new HETATM 0 H1Y RCY A 176 82.000 -4.575 4.711 1.00 1.00 H new HETATM 0 H1V RCY A 176 81.387 -1.597 3.181 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.591 -2.006 0.370 1.00 1.00 H new HETATM 0 H1S RCY A 176 79.820 -5.427 -2.349 1.00 1.00 H new HETATM 0 H1M RCY A 176 82.398 -2.715 1.677 1.00 1.00 H new HETATM 0 H1L RCY A 176 77.512 -4.684 -2.449 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.698 -2.083 2.960 1.00 1.00 H new HETATM 1461 C1C RCY A 187 81.242 1.935 -0.415 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.871 -3.488 -0.462 1.00 1.00 O HETATM 1463 O1H RCY A 187 83.397 0.391 -1.394 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.434 2.503 0.513 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.247 -3.102 -0.902 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.207 -1.154 -0.342 1.00 1.00 C HETATM 1467 C1P RCY A 187 81.774 -2.703 -0.747 1.00 1.00 C HETATM 1468 C1Q RCY A 187 82.961 -0.759 -1.410 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.567 -1.209 -0.991 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.719 -1.997 -1.853 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.295 -0.371 -0.854 1.00 1.00 C HETATM 1472 C1V RCY A 187 81.014 0.273 1.486 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.979 1.161 0.328 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.211 -0.158 0.264 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.439 0.765 0.157 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.792 -0.602 1.668 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.986 0.019 -0.633 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.300 0.393 -1.608 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.484 -0.941 -0.757 1.00 1.00 H new HETATM 0 H1YB RCY A 187 77.321 -1.583 1.614 1.00 1.00 H new HETATM 0 H1YA RCY A 187 78.671 -0.657 2.310 1.00 1.00 H new HETATM 0 H1VB RCY A 187 82.041 -0.059 1.337 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.997 1.085 2.213 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.740 -1.737 -1.136 1.00 1.00 H new HETATM 0 H1LA RCY A 187 83.784 -3.094 0.047 1.00 1.00 H new HETATM 0 H1CB RCY A 187 82.240 1.592 -0.689 1.00 1.00 H new HETATM 0 H1CA RCY A 187 80.737 2.325 -1.299 1.00 1.00 H new HETATM 0 H1Z RCY A 187 76.300 0.731 -0.175 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.085 0.117 2.081 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.414 -0.558 1.857 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.113 0.008 -1.860 1.00 1.00 H new HETATM 0 H1S RCY A 187 83.498 -2.246 -2.891 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.557 -1.861 0.410 1.00 1.00 H new HETATM 0 H1L RCY A 187 83.367 -4.098 -1.327 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.322 2.722 0.335 1.00 1.00 H new