USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=21 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 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(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 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 70 TRP CH2 :(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 RCYH1LA : A 168 RCY C1L : A 63 ASP CG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 63 ASP 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 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 34 GLN :FLIP amide:sc= -4.47! C(o=-10!,f=-6.5!) USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -2.01! C(o=-6.9!,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.199 (180deg=-1.16) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.932 F(o=-3.9!,f=-0.93) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0943) USER MOD Single : A 12 SER OG : rot -15:sc= 0.98 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 159:sc= -0.148 (180deg=-1.34!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= -1.96 (180deg=-2.16) USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= -1 (180deg=-2.85!) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= -1.74 (180deg=-2.05!) USER MOD Single : A 32 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.583! USER MOD Single : A 39 LYS NZ :NH3+ 163:sc=-0.00516 (180deg=-0.133) USER MOD Single : A 40 SER OG : rot -59:sc= 0.2 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -1.34 (180deg=-2.72!) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc=-0.00374 (180deg=-0.134) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -20.7! C(o=-24!,f=-21!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -11:sc= 0.958 USER MOD Single : A 74 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.6!) USER MOD Single : A 75 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-9.1!) USER MOD Single : A 79 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.15) USER MOD Single : A 83 GLN : amide:sc= -5! C(o=-5!,f=-7.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 67.514 -17.832 1.487 1.00 1.00 N ATOM 2 CA MET A 1 67.041 -17.766 2.898 1.00 1.00 C ATOM 3 C MET A 1 65.521 -17.944 2.934 1.00 1.00 C ATOM 4 O MET A 1 64.901 -18.278 1.944 1.00 1.00 O ATOM 5 CB MET A 1 67.411 -16.408 3.498 1.00 1.00 C ATOM 6 CG MET A 1 66.901 -15.290 2.587 1.00 1.00 C ATOM 7 SD MET A 1 67.472 -13.692 3.215 1.00 1.00 S ATOM 8 CE MET A 1 67.015 -12.703 1.769 1.00 1.00 C ATOM 0 H1 MET A 1 68.444 -17.373 1.411 1.00 1.00 H new ATOM 0 H2 MET A 1 67.594 -18.827 1.194 1.00 1.00 H new ATOM 0 H3 MET A 1 66.835 -17.343 0.870 1.00 1.00 H new ATOM 0 HA MET A 1 67.514 -18.559 3.478 1.00 1.00 H new ATOM 0 HB2 MET A 1 66.976 -16.308 4.493 1.00 1.00 H new ATOM 0 HB3 MET A 1 68.492 -16.332 3.614 1.00 1.00 H new ATOM 0 HG2 MET A 1 67.261 -15.443 1.570 1.00 1.00 H new ATOM 0 HG3 MET A 1 65.812 -15.308 2.546 1.00 1.00 H new ATOM 0 HE1 MET A 1 67.283 -11.661 1.942 1.00 1.00 H new ATOM 0 HE2 MET A 1 67.546 -13.074 0.892 1.00 1.00 H new ATOM 0 HE3 MET A 1 65.941 -12.779 1.601 1.00 1.00 H new ATOM 17 N ASN A 2 64.915 -17.724 4.070 1.00 1.00 N ATOM 18 CA ASN A 2 63.436 -17.881 4.170 1.00 1.00 C ATOM 19 C ASN A 2 62.909 -17.023 5.322 1.00 1.00 C ATOM 20 O ASN A 2 63.508 -16.949 6.377 1.00 1.00 O ATOM 21 CB ASN A 2 63.095 -19.350 4.429 1.00 1.00 C ATOM 22 CG ASN A 2 63.759 -19.806 5.729 1.00 1.00 C ATOM 23 OD1 ASN A 2 65.025 -19.554 5.925 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 63.120 -20.398 6.576 1.00 1.00 N flip ATOM 0 H ASN A 2 65.381 -17.442 4.933 1.00 1.00 H new ATOM 0 HA ASN A 2 62.972 -17.560 3.237 1.00 1.00 H new ATOM 0 HB2 ASN A 2 62.015 -19.477 4.496 1.00 1.00 H new ATOM 0 HB3 ASN A 2 63.438 -19.966 3.598 1.00 1.00 H new ATOM 0 HD21 ASN A 2 62.131 -20.595 6.424 1.00 1.00 H new ATOM 0 HD22 ASN A 2 63.573 -20.698 7.440 1.00 1.00 H new ATOM 31 N LEU A 3 61.793 -16.375 5.129 1.00 1.00 N ATOM 32 CA LEU A 3 61.228 -15.521 6.213 1.00 1.00 C ATOM 33 C LEU A 3 59.849 -15.006 5.784 1.00 1.00 C ATOM 34 O LEU A 3 59.686 -14.467 4.708 1.00 1.00 O ATOM 35 CB LEU A 3 62.168 -14.332 6.468 1.00 1.00 C ATOM 36 CG LEU A 3 62.083 -13.913 7.937 1.00 1.00 C ATOM 37 CD1 LEU A 3 60.620 -13.673 8.316 1.00 1.00 C ATOM 38 CD2 LEU A 3 62.660 -15.024 8.817 1.00 1.00 C ATOM 0 H LEU A 3 61.248 -16.400 4.267 1.00 1.00 H new ATOM 0 HA LEU A 3 61.129 -16.105 7.128 1.00 1.00 H new ATOM 0 HB2 LEU A 3 63.193 -14.606 6.217 1.00 1.00 H new ATOM 0 HB3 LEU A 3 61.895 -13.495 5.825 1.00 1.00 H new ATOM 0 HG LEU A 3 62.653 -12.996 8.087 1.00 1.00 H new ATOM 0 HD11 LEU A 3 60.560 -13.375 9.363 1.00 1.00 H new ATOM 0 HD12 LEU A 3 60.207 -12.883 7.689 1.00 1.00 H new ATOM 0 HD13 LEU A 3 60.050 -14.590 8.167 1.00 1.00 H new ATOM 0 HD21 LEU A 3 62.600 -14.727 9.864 1.00 1.00 H new ATOM 0 HD22 LEU A 3 62.089 -15.941 8.667 1.00 1.00 H new ATOM 0 HD23 LEU A 3 63.702 -15.197 8.548 1.00 1.00 H new ATOM 50 N GLU A 4 58.858 -15.166 6.618 1.00 1.00 N ATOM 51 CA GLU A 4 57.495 -14.684 6.256 1.00 1.00 C ATOM 52 C GLU A 4 57.559 -13.186 5.921 1.00 1.00 C ATOM 53 O GLU A 4 57.996 -12.391 6.730 1.00 1.00 O ATOM 54 CB GLU A 4 56.552 -14.898 7.442 1.00 1.00 C ATOM 55 CG GLU A 4 56.742 -16.311 7.997 1.00 1.00 C ATOM 56 CD GLU A 4 55.638 -16.614 9.013 1.00 1.00 C ATOM 57 OE1 GLU A 4 55.796 -16.231 10.161 1.00 1.00 O ATOM 58 OE2 GLU A 4 54.655 -17.222 8.625 1.00 1.00 O ATOM 0 H GLU A 4 58.933 -15.609 7.534 1.00 1.00 H new ATOM 0 HA GLU A 4 57.128 -15.237 5.392 1.00 1.00 H new ATOM 0 HB2 GLU A 4 56.754 -14.161 8.219 1.00 1.00 H new ATOM 0 HB3 GLU A 4 55.518 -14.755 7.128 1.00 1.00 H new ATOM 0 HG2 GLU A 4 56.714 -17.038 7.186 1.00 1.00 H new ATOM 0 HG3 GLU A 4 57.720 -16.399 8.470 1.00 1.00 H new ATOM 65 N PRO A 5 57.130 -12.793 4.744 1.00 1.00 N ATOM 66 CA PRO A 5 57.151 -11.362 4.325 1.00 1.00 C ATOM 67 C PRO A 5 56.677 -10.422 5.444 1.00 1.00 C ATOM 68 O PRO A 5 55.839 -10.782 6.247 1.00 1.00 O ATOM 69 CB PRO A 5 56.181 -11.323 3.143 1.00 1.00 C ATOM 70 CG PRO A 5 56.246 -12.691 2.547 1.00 1.00 C ATOM 71 CD PRO A 5 56.580 -13.660 3.688 1.00 1.00 C ATOM 0 HA PRO A 5 58.157 -11.023 4.076 1.00 1.00 H new ATOM 0 HB2 PRO A 5 55.169 -11.082 3.470 1.00 1.00 H new ATOM 0 HB3 PRO A 5 56.471 -10.562 2.418 1.00 1.00 H new ATOM 0 HG2 PRO A 5 55.296 -12.955 2.082 1.00 1.00 H new ATOM 0 HG3 PRO A 5 57.006 -12.736 1.767 1.00 1.00 H new ATOM 0 HD2 PRO A 5 55.693 -14.193 4.031 1.00 1.00 H new ATOM 0 HD3 PRO A 5 57.303 -14.413 3.373 1.00 1.00 H new ATOM 79 N PRO A 6 57.206 -9.224 5.497 1.00 1.00 N ATOM 80 CA PRO A 6 56.824 -8.221 6.534 1.00 1.00 C ATOM 81 C PRO A 6 55.449 -7.600 6.261 1.00 1.00 C ATOM 82 O PRO A 6 54.925 -7.686 5.168 1.00 1.00 O ATOM 83 CB PRO A 6 57.922 -7.160 6.427 1.00 1.00 C ATOM 84 CG PRO A 6 58.388 -7.234 5.011 1.00 1.00 C ATOM 85 CD PRO A 6 58.223 -8.692 4.574 1.00 1.00 C ATOM 0 HA PRO A 6 56.744 -8.669 7.525 1.00 1.00 H new ATOM 0 HB2 PRO A 6 57.538 -6.168 6.666 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.737 -7.362 7.122 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.803 -6.570 4.375 1.00 1.00 H new ATOM 0 HG3 PRO A 6 59.428 -6.920 4.928 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.898 -8.764 3.536 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.161 -9.242 4.653 1.00 1.00 H new ATOM 93 N LYS A 7 54.864 -6.974 7.246 1.00 1.00 N ATOM 94 CA LYS A 7 53.527 -6.347 7.041 1.00 1.00 C ATOM 95 C LYS A 7 53.654 -5.218 6.013 1.00 1.00 C ATOM 96 O LYS A 7 54.655 -5.095 5.336 1.00 1.00 O ATOM 97 CB LYS A 7 53.019 -5.783 8.379 1.00 1.00 C ATOM 98 CG LYS A 7 52.063 -6.786 9.027 1.00 1.00 C ATOM 99 CD LYS A 7 52.849 -8.011 9.497 1.00 1.00 C ATOM 100 CE LYS A 7 51.964 -9.255 9.402 1.00 1.00 C ATOM 101 NZ LYS A 7 51.874 -9.693 7.981 1.00 1.00 N ATOM 0 H LYS A 7 55.254 -6.870 8.183 1.00 1.00 H new ATOM 0 HA LYS A 7 52.820 -7.091 6.675 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.859 -5.584 9.044 1.00 1.00 H new ATOM 0 HB3 LYS A 7 52.510 -4.833 8.215 1.00 1.00 H new ATOM 0 HG2 LYS A 7 51.551 -6.323 9.871 1.00 1.00 H new ATOM 0 HG3 LYS A 7 51.295 -7.085 8.314 1.00 1.00 H new ATOM 0 HD2 LYS A 7 53.742 -8.140 8.885 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.184 -7.868 10.524 1.00 1.00 H new ATOM 0 HE2 LYS A 7 52.377 -10.056 10.015 1.00 1.00 H new ATOM 0 HE3 LYS A 7 50.969 -9.037 9.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 51.528 -10.673 7.941 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 51.216 -9.072 7.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 52.815 -9.640 7.541 1.00 1.00 H new ATOM 115 N ALA A 8 52.645 -4.395 5.890 1.00 1.00 N ATOM 116 CA ALA A 8 52.701 -3.274 4.904 1.00 1.00 C ATOM 117 C ALA A 8 52.434 -1.948 5.619 1.00 1.00 C ATOM 118 O ALA A 8 51.387 -1.743 6.200 1.00 1.00 O ATOM 119 CB ALA A 8 51.636 -3.493 3.827 1.00 1.00 C ATOM 0 H ALA A 8 51.782 -4.451 6.431 1.00 1.00 H new ATOM 0 HA ALA A 8 53.688 -3.245 4.443 1.00 1.00 H new ATOM 0 HB1 ALA A 8 51.674 -2.676 3.106 1.00 1.00 H new ATOM 0 HB2 ALA A 8 51.824 -4.437 3.316 1.00 1.00 H new ATOM 0 HB3 ALA A 8 50.650 -3.521 4.291 1.00 1.00 H new ATOM 125 N GLU A 9 53.375 -1.044 5.577 1.00 1.00 N ATOM 126 CA GLU A 9 53.180 0.273 6.248 1.00 1.00 C ATOM 127 C GLU A 9 54.083 1.314 5.583 1.00 1.00 C ATOM 128 O GLU A 9 55.225 1.047 5.267 1.00 1.00 O ATOM 129 CB GLU A 9 53.543 0.152 7.731 1.00 1.00 C ATOM 130 CG GLU A 9 54.837 -0.651 7.877 1.00 1.00 C ATOM 131 CD GLU A 9 54.534 -2.142 7.713 1.00 1.00 C ATOM 132 OE1 GLU A 9 53.963 -2.714 8.627 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.878 -2.686 6.677 1.00 1.00 O ATOM 0 H GLU A 9 54.272 -1.161 5.106 1.00 1.00 H new ATOM 0 HA GLU A 9 52.138 0.580 6.157 1.00 1.00 H new ATOM 0 HB2 GLU A 9 53.666 1.143 8.168 1.00 1.00 H new ATOM 0 HB3 GLU A 9 52.735 -0.338 8.275 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.562 -0.332 7.128 1.00 1.00 H new ATOM 0 HG3 GLU A 9 55.285 -0.465 8.853 1.00 1.00 H new ATOM 140 N CYS A 10 53.581 2.498 5.362 1.00 1.00 N ATOM 141 CA CYS A 10 54.417 3.546 4.711 1.00 1.00 C ATOM 142 C CYS A 10 53.687 4.891 4.771 1.00 1.00 C ATOM 143 O CYS A 10 52.914 5.146 5.673 1.00 1.00 O ATOM 144 CB CYS A 10 54.668 3.159 3.250 1.00 1.00 C ATOM 145 SG CYS A 10 56.336 3.669 2.767 1.00 1.00 S ATOM 0 H CYS A 10 52.632 2.784 5.603 1.00 1.00 H new ATOM 0 HA CYS A 10 55.371 3.631 5.232 1.00 1.00 H new ATOM 0 HB2 CYS A 10 54.555 2.082 3.124 1.00 1.00 H new ATOM 0 HB3 CYS A 10 53.930 3.635 2.605 1.00 1.00 H new ATOM 150 N ARG A 11 53.931 5.747 3.809 1.00 1.00 N ATOM 151 CA ARG A 11 53.267 7.091 3.775 1.00 1.00 C ATOM 152 C ARG A 11 52.893 7.549 5.190 1.00 1.00 C ATOM 153 O ARG A 11 51.845 8.122 5.410 1.00 1.00 O ATOM 154 CB ARG A 11 52.011 7.030 2.893 1.00 1.00 C ATOM 155 CG ARG A 11 50.970 6.112 3.537 1.00 1.00 C ATOM 156 CD ARG A 11 49.927 5.711 2.492 1.00 1.00 C ATOM 157 NE ARG A 11 50.203 4.325 2.020 1.00 1.00 N ATOM 158 CZ ARG A 11 50.938 4.132 0.959 1.00 1.00 C ATOM 159 NH1 ARG A 11 51.430 5.152 0.312 1.00 1.00 N ATOM 160 NH2 ARG A 11 51.180 2.918 0.546 1.00 1.00 N ATOM 0 H ARG A 11 54.571 5.570 3.034 1.00 1.00 H new ATOM 0 HA ARG A 11 53.968 7.813 3.355 1.00 1.00 H new ATOM 0 HB2 ARG A 11 51.597 8.030 2.764 1.00 1.00 H new ATOM 0 HB3 ARG A 11 52.270 6.662 1.900 1.00 1.00 H new ATOM 0 HG2 ARG A 11 51.454 5.224 3.942 1.00 1.00 H new ATOM 0 HG3 ARG A 11 50.487 6.621 4.371 1.00 1.00 H new ATOM 0 HD2 ARG A 11 48.927 5.768 2.921 1.00 1.00 H new ATOM 0 HD3 ARG A 11 49.953 6.405 1.652 1.00 1.00 H new ATOM 0 HE ARG A 11 49.818 3.527 2.526 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.240 6.101 0.635 1.00 1.00 H new ATOM 0 HH12 ARG A 11 52.004 5.001 -0.517 1.00 1.00 H new ATOM 0 HH21 ARG A 11 50.795 2.121 1.052 1.00 1.00 H new ATOM 0 HH22 ARG A 11 51.754 2.766 -0.283 1.00 1.00 H new ATOM 174 N SER A 12 53.747 7.308 6.148 1.00 1.00 N ATOM 175 CA SER A 12 53.444 7.734 7.544 1.00 1.00 C ATOM 176 C SER A 12 54.645 7.432 8.442 1.00 1.00 C ATOM 177 O SER A 12 54.524 7.345 9.648 1.00 1.00 O ATOM 178 CB SER A 12 52.220 6.973 8.057 1.00 1.00 C ATOM 179 OG SER A 12 52.091 7.180 9.457 1.00 1.00 O ATOM 0 H SER A 12 54.642 6.834 6.024 1.00 1.00 H new ATOM 0 HA SER A 12 53.238 8.804 7.559 1.00 1.00 H new ATOM 0 HB2 SER A 12 51.322 7.316 7.543 1.00 1.00 H new ATOM 0 HB3 SER A 12 52.323 5.909 7.843 1.00 1.00 H new ATOM 0 HG SER A 12 52.925 7.553 9.811 1.00 1.00 H new ATOM 185 N ALA A 13 55.804 7.270 7.865 1.00 1.00 N ATOM 186 CA ALA A 13 57.012 6.973 8.686 1.00 1.00 C ATOM 187 C ALA A 13 57.571 8.275 9.265 1.00 1.00 C ATOM 188 O ALA A 13 58.377 8.944 8.649 1.00 1.00 O ATOM 189 CB ALA A 13 58.075 6.310 7.807 1.00 1.00 C ATOM 0 H ALA A 13 55.967 7.330 6.860 1.00 1.00 H new ATOM 0 HA ALA A 13 56.740 6.301 9.500 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.959 6.092 8.407 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.679 5.382 7.394 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.345 6.983 6.993 1.00 1.00 H new ATOM 195 N THR A 14 57.150 8.641 10.446 1.00 1.00 N ATOM 196 CA THR A 14 57.661 9.899 11.061 1.00 1.00 C ATOM 197 C THR A 14 59.086 9.676 11.568 1.00 1.00 C ATOM 198 O THR A 14 59.551 10.356 12.461 1.00 1.00 O ATOM 199 CB THR A 14 56.762 10.298 12.234 1.00 1.00 C ATOM 200 OG1 THR A 14 57.141 9.564 13.390 1.00 1.00 O ATOM 201 CG2 THR A 14 55.303 9.992 11.889 1.00 1.00 C ATOM 0 H THR A 14 56.476 8.124 11.010 1.00 1.00 H new ATOM 0 HA THR A 14 57.659 10.693 10.315 1.00 1.00 H new ATOM 0 HB THR A 14 56.871 11.365 12.428 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.567 9.820 14.142 1.00 1.00 H new ATOM 0 HG21 THR A 14 54.664 10.277 12.725 1.00 1.00 H new ATOM 0 HG22 THR A 14 55.013 10.556 11.002 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.191 8.925 11.694 1.00 1.00 H new ATOM 209 N ARG A 15 59.785 8.728 11.006 1.00 1.00 N ATOM 210 CA ARG A 15 61.179 8.463 11.459 1.00 1.00 C ATOM 211 C ARG A 15 61.176 8.154 12.958 1.00 1.00 C ATOM 212 O ARG A 15 61.038 9.037 13.781 1.00 1.00 O ATOM 213 CB ARG A 15 62.045 9.697 11.192 1.00 1.00 C ATOM 214 CG ARG A 15 61.724 10.256 9.805 1.00 1.00 C ATOM 215 CD ARG A 15 62.750 11.329 9.436 1.00 1.00 C ATOM 216 NE ARG A 15 62.673 12.448 10.417 1.00 1.00 N ATOM 217 CZ ARG A 15 63.678 13.269 10.551 1.00 1.00 C ATOM 218 NH1 ARG A 15 64.751 13.111 9.825 1.00 1.00 N ATOM 219 NH2 ARG A 15 63.611 14.249 11.410 1.00 1.00 N ATOM 0 H ARG A 15 59.451 8.126 10.253 1.00 1.00 H new ATOM 0 HA ARG A 15 61.584 7.611 10.913 1.00 1.00 H new ATOM 0 HB2 ARG A 15 61.860 10.455 11.953 1.00 1.00 H new ATOM 0 HB3 ARG A 15 63.101 9.434 11.254 1.00 1.00 H new ATOM 0 HG2 ARG A 15 61.739 9.455 9.066 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.720 10.680 9.796 1.00 1.00 H new ATOM 0 HD2 ARG A 15 63.753 10.902 9.433 1.00 1.00 H new ATOM 0 HD3 ARG A 15 62.558 11.700 8.429 1.00 1.00 H new ATOM 0 HE ARG A 15 61.834 12.572 10.984 1.00 1.00 H new ATOM 0 HH11 ARG A 15 64.804 12.346 9.153 1.00 1.00 H new ATOM 0 HH12 ARG A 15 65.537 13.753 9.930 1.00 1.00 H new ATOM 0 HH21 ARG A 15 62.772 14.374 11.977 1.00 1.00 H new ATOM 0 HH22 ARG A 15 64.397 14.890 11.514 1.00 1.00 H new ATOM 233 N VAL A 16 61.325 6.905 13.317 1.00 1.00 N ATOM 234 CA VAL A 16 61.329 6.530 14.763 1.00 1.00 C ATOM 235 C VAL A 16 62.611 5.760 15.086 1.00 1.00 C ATOM 236 O VAL A 16 62.997 5.631 16.231 1.00 1.00 O ATOM 237 CB VAL A 16 60.117 5.647 15.062 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.216 4.352 14.253 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.087 5.313 16.555 1.00 1.00 C ATOM 0 H VAL A 16 61.444 6.126 12.669 1.00 1.00 H new ATOM 0 HA VAL A 16 61.283 7.432 15.373 1.00 1.00 H new ATOM 0 HB VAL A 16 59.205 6.177 14.788 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.352 3.723 14.466 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.239 4.588 13.189 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.128 3.821 14.526 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.223 4.684 16.770 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.999 4.783 16.828 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.017 6.235 17.133 1.00 1.00 H new ATOM 249 N MET A 17 63.276 5.246 14.086 1.00 1.00 N ATOM 250 CA MET A 17 64.533 4.486 14.341 1.00 1.00 C ATOM 251 C MET A 17 65.431 5.290 15.285 1.00 1.00 C ATOM 252 O MET A 17 65.952 4.772 16.253 1.00 1.00 O ATOM 253 CB MET A 17 65.264 4.242 13.014 1.00 1.00 C ATOM 254 CG MET A 17 64.938 5.372 12.035 1.00 1.00 C ATOM 255 SD MET A 17 66.211 5.443 10.750 1.00 1.00 S ATOM 256 CE MET A 17 66.249 3.674 10.370 1.00 1.00 C ATOM 0 H MET A 17 63.004 5.320 13.106 1.00 1.00 H new ATOM 0 HA MET A 17 64.292 3.527 14.800 1.00 1.00 H new ATOM 0 HB2 MET A 17 66.340 4.192 13.183 1.00 1.00 H new ATOM 0 HB3 MET A 17 64.963 3.283 12.592 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.960 5.206 11.584 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.887 6.323 12.565 1.00 1.00 H new ATOM 0 HE1 MET A 17 66.673 3.524 9.377 1.00 1.00 H new ATOM 0 HE2 MET A 17 66.861 3.156 11.108 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.235 3.275 10.395 1.00 1.00 H new ATOM 266 N GLY A 18 65.616 6.552 15.011 1.00 1.00 N ATOM 267 CA GLY A 18 66.480 7.389 15.892 1.00 1.00 C ATOM 268 C GLY A 18 66.091 8.860 15.738 1.00 1.00 C ATOM 269 O GLY A 18 66.350 9.477 14.724 1.00 1.00 O ATOM 0 H GLY A 18 65.206 7.040 14.215 1.00 1.00 H new ATOM 0 HA2 GLY A 18 66.367 7.079 16.931 1.00 1.00 H new ATOM 0 HA3 GLY A 18 67.529 7.250 15.630 1.00 1.00 H new ATOM 273 N GLY A 19 65.468 9.427 16.735 1.00 1.00 N ATOM 274 CA GLY A 19 65.061 10.858 16.643 1.00 1.00 C ATOM 275 C GLY A 19 66.235 11.691 16.121 1.00 1.00 C ATOM 276 O GLY A 19 66.166 12.269 15.055 1.00 1.00 O ATOM 0 H GLY A 19 65.223 8.961 17.609 1.00 1.00 H new ATOM 0 HA2 GLY A 19 64.204 10.961 15.977 1.00 1.00 H new ATOM 0 HA3 GLY A 19 64.750 11.222 17.622 1.00 1.00 H new ATOM 280 N PRO A 20 67.307 11.746 16.866 1.00 1.00 N ATOM 281 CA PRO A 20 68.520 12.516 16.468 1.00 1.00 C ATOM 282 C PRO A 20 68.972 12.171 15.044 1.00 1.00 C ATOM 283 O PRO A 20 69.801 11.306 14.840 1.00 1.00 O ATOM 284 CB PRO A 20 69.579 12.091 17.493 1.00 1.00 C ATOM 285 CG PRO A 20 68.810 11.631 18.687 1.00 1.00 C ATOM 286 CD PRO A 20 67.479 11.083 18.168 1.00 1.00 C ATOM 0 HA PRO A 20 68.339 13.591 16.461 1.00 1.00 H new ATOM 0 HB2 PRO A 20 70.209 11.293 17.100 1.00 1.00 H new ATOM 0 HB3 PRO A 20 70.238 12.922 17.746 1.00 1.00 H new ATOM 0 HG2 PRO A 20 69.360 10.862 19.229 1.00 1.00 H new ATOM 0 HG3 PRO A 20 68.645 12.454 19.382 1.00 1.00 H new ATOM 0 HD2 PRO A 20 67.507 9.998 18.063 1.00 1.00 H new ATOM 0 HD3 PRO A 20 66.659 11.317 18.847 1.00 1.00 H new ATOM 294 N CYS A 21 68.428 12.836 14.058 1.00 1.00 N ATOM 295 CA CYS A 21 68.822 12.542 12.649 1.00 1.00 C ATOM 296 C CYS A 21 69.258 13.838 11.959 1.00 1.00 C ATOM 297 O CYS A 21 68.449 14.586 11.448 1.00 1.00 O ATOM 298 CB CYS A 21 67.624 11.935 11.907 1.00 1.00 C ATOM 299 SG CYS A 21 68.140 10.418 11.065 1.00 1.00 S ATOM 0 H CYS A 21 67.728 13.570 14.168 1.00 1.00 H new ATOM 0 HA CYS A 21 69.652 11.835 12.638 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.820 11.718 12.610 1.00 1.00 H new ATOM 0 HB3 CYS A 21 67.231 12.649 11.184 1.00 1.00 H new ATOM 304 N THR A 22 70.537 14.101 11.935 1.00 1.00 N ATOM 305 CA THR A 22 71.039 15.340 11.272 1.00 1.00 C ATOM 306 C THR A 22 72.385 15.035 10.601 1.00 1.00 C ATOM 307 O THR A 22 73.183 14.286 11.129 1.00 1.00 O ATOM 308 CB THR A 22 71.229 16.440 12.319 1.00 1.00 C ATOM 309 OG1 THR A 22 71.939 15.915 13.431 1.00 1.00 O ATOM 310 CG2 THR A 22 69.863 16.951 12.779 1.00 1.00 C ATOM 0 H THR A 22 71.258 13.509 12.347 1.00 1.00 H new ATOM 0 HA THR A 22 70.320 15.676 10.525 1.00 1.00 H new ATOM 0 HB THR A 22 71.794 17.264 11.882 1.00 1.00 H new ATOM 0 HG1 THR A 22 72.063 16.619 14.102 1.00 1.00 H new ATOM 0 HG21 THR A 22 70.000 17.734 13.525 1.00 1.00 H new ATOM 0 HG22 THR A 22 69.319 17.354 11.925 1.00 1.00 H new ATOM 0 HG23 THR A 22 69.295 16.129 13.216 1.00 1.00 H new ATOM 318 N PRO A 23 72.645 15.610 9.453 1.00 1.00 N ATOM 319 CA PRO A 23 73.922 15.388 8.724 1.00 1.00 C ATOM 320 C PRO A 23 75.121 15.314 9.676 1.00 1.00 C ATOM 321 O PRO A 23 75.161 15.981 10.690 1.00 1.00 O ATOM 322 CB PRO A 23 74.025 16.614 7.817 1.00 1.00 C ATOM 323 CG PRO A 23 72.611 17.014 7.541 1.00 1.00 C ATOM 324 CD PRO A 23 71.761 16.535 8.725 1.00 1.00 C ATOM 0 HA PRO A 23 73.932 14.442 8.182 1.00 1.00 H new ATOM 0 HB2 PRO A 23 74.575 17.420 8.304 1.00 1.00 H new ATOM 0 HB3 PRO A 23 74.555 16.378 6.894 1.00 1.00 H new ATOM 0 HG2 PRO A 23 72.533 18.095 7.425 1.00 1.00 H new ATOM 0 HG3 PRO A 23 72.260 16.567 6.611 1.00 1.00 H new ATOM 0 HD2 PRO A 23 71.451 17.368 9.355 1.00 1.00 H new ATOM 0 HD3 PRO A 23 70.853 16.035 8.387 1.00 1.00 H new ATOM 332 N ARG A 24 76.097 14.506 9.359 1.00 1.00 N ATOM 333 CA ARG A 24 77.289 14.388 10.248 1.00 1.00 C ATOM 334 C ARG A 24 78.537 14.134 9.399 1.00 1.00 C ATOM 335 O ARG A 24 78.485 13.460 8.388 1.00 1.00 O ATOM 336 CB ARG A 24 77.084 13.220 11.220 1.00 1.00 C ATOM 337 CG ARG A 24 76.294 13.701 12.438 1.00 1.00 C ATOM 338 CD ARG A 24 75.980 12.510 13.347 1.00 1.00 C ATOM 339 NE ARG A 24 76.086 12.932 14.772 1.00 1.00 N ATOM 340 CZ ARG A 24 75.250 13.808 15.257 1.00 1.00 C ATOM 341 NH1 ARG A 24 74.321 14.316 14.494 1.00 1.00 N ATOM 342 NH2 ARG A 24 75.342 14.177 16.505 1.00 1.00 N ATOM 0 H ARG A 24 76.120 13.922 8.523 1.00 1.00 H new ATOM 0 HA ARG A 24 77.417 15.313 10.811 1.00 1.00 H new ATOM 0 HB2 ARG A 24 76.550 12.410 10.724 1.00 1.00 H new ATOM 0 HB3 ARG A 24 78.049 12.821 11.534 1.00 1.00 H new ATOM 0 HG2 ARG A 24 76.869 14.448 12.985 1.00 1.00 H new ATOM 0 HG3 ARG A 24 75.369 14.182 12.118 1.00 1.00 H new ATOM 0 HD2 ARG A 24 74.977 12.136 13.141 1.00 1.00 H new ATOM 0 HD3 ARG A 24 76.673 11.693 13.146 1.00 1.00 H new ATOM 0 HE ARG A 24 76.812 12.536 15.368 1.00 1.00 H new ATOM 0 HH11 ARG A 24 74.249 14.028 13.518 1.00 1.00 H new ATOM 0 HH12 ARG A 24 73.667 15.001 14.874 1.00 1.00 H new ATOM 0 HH21 ARG A 24 76.068 13.780 17.102 1.00 1.00 H new ATOM 0 HH22 ARG A 24 74.688 14.862 16.884 1.00 1.00 H new ATOM 356 N LYS A 25 79.660 14.666 9.803 1.00 1.00 N ATOM 357 CA LYS A 25 80.912 14.452 9.021 1.00 1.00 C ATOM 358 C LYS A 25 81.620 13.196 9.532 1.00 1.00 C ATOM 359 O LYS A 25 81.728 12.208 8.834 1.00 1.00 O ATOM 360 CB LYS A 25 81.838 15.661 9.193 1.00 1.00 C ATOM 361 CG LYS A 25 81.163 16.912 8.627 1.00 1.00 C ATOM 362 CD LYS A 25 80.402 17.632 9.742 1.00 1.00 C ATOM 363 CE LYS A 25 81.317 18.667 10.398 1.00 1.00 C ATOM 364 NZ LYS A 25 82.608 18.024 10.773 1.00 1.00 N ATOM 0 H LYS A 25 79.764 15.239 10.640 1.00 1.00 H new ATOM 0 HA LYS A 25 80.665 14.331 7.966 1.00 1.00 H new ATOM 0 HB2 LYS A 25 82.070 15.807 10.248 1.00 1.00 H new ATOM 0 HB3 LYS A 25 82.784 15.483 8.681 1.00 1.00 H new ATOM 0 HG2 LYS A 25 81.911 17.577 8.195 1.00 1.00 H new ATOM 0 HG3 LYS A 25 80.479 16.637 7.824 1.00 1.00 H new ATOM 0 HD2 LYS A 25 79.516 18.120 9.336 1.00 1.00 H new ATOM 0 HD3 LYS A 25 80.057 16.913 10.485 1.00 1.00 H new ATOM 0 HE2 LYS A 25 81.497 19.495 9.713 1.00 1.00 H new ATOM 0 HE3 LYS A 25 80.836 19.084 11.283 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 83.203 18.710 11.280 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 82.423 17.206 11.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 83.100 17.707 9.914 1.00 1.00 H new ATOM 378 N GLY A 26 82.102 13.230 10.748 1.00 1.00 N ATOM 379 CA GLY A 26 82.806 12.041 11.317 1.00 1.00 C ATOM 380 C GLY A 26 83.684 11.390 10.239 1.00 1.00 C ATOM 381 O GLY A 26 84.741 11.893 9.913 1.00 1.00 O ATOM 0 H GLY A 26 82.038 14.033 11.374 1.00 1.00 H new ATOM 0 HA2 GLY A 26 83.420 12.342 12.166 1.00 1.00 H new ATOM 0 HA3 GLY A 26 82.078 11.320 11.690 1.00 1.00 H new ATOM 385 N PRO A 27 83.254 10.282 9.682 1.00 1.00 N ATOM 386 CA PRO A 27 84.020 9.570 8.624 1.00 1.00 C ATOM 387 C PRO A 27 84.699 10.544 7.650 1.00 1.00 C ATOM 388 O PRO A 27 84.315 11.692 7.546 1.00 1.00 O ATOM 389 CB PRO A 27 82.944 8.749 7.912 1.00 1.00 C ATOM 390 CG PRO A 27 81.926 8.452 8.966 1.00 1.00 C ATOM 391 CD PRO A 27 81.993 9.589 9.993 1.00 1.00 C ATOM 0 HA PRO A 27 84.832 8.967 9.031 1.00 1.00 H new ATOM 0 HB2 PRO A 27 82.505 9.306 7.085 1.00 1.00 H new ATOM 0 HB3 PRO A 27 83.359 7.832 7.494 1.00 1.00 H new ATOM 0 HG2 PRO A 27 80.929 8.385 8.530 1.00 1.00 H new ATOM 0 HG3 PRO A 27 82.132 7.492 9.440 1.00 1.00 H new ATOM 0 HD2 PRO A 27 81.138 10.259 9.902 1.00 1.00 H new ATOM 0 HD3 PRO A 27 81.991 9.205 11.013 1.00 1.00 H new ATOM 399 N PRO A 28 85.703 10.089 6.943 1.00 1.00 N ATOM 400 CA PRO A 28 86.446 10.930 5.964 1.00 1.00 C ATOM 401 C PRO A 28 85.530 11.879 5.183 1.00 1.00 C ATOM 402 O PRO A 28 84.323 11.739 5.188 1.00 1.00 O ATOM 403 CB PRO A 28 87.081 9.898 5.033 1.00 1.00 C ATOM 404 CG PRO A 28 87.308 8.696 5.890 1.00 1.00 C ATOM 405 CD PRO A 28 86.243 8.720 6.993 1.00 1.00 C ATOM 0 HA PRO A 28 87.166 11.587 6.452 1.00 1.00 H new ATOM 0 HB2 PRO A 28 86.425 9.667 4.194 1.00 1.00 H new ATOM 0 HB3 PRO A 28 88.017 10.267 4.614 1.00 1.00 H new ATOM 0 HG2 PRO A 28 87.231 7.783 5.300 1.00 1.00 H new ATOM 0 HG3 PRO A 28 88.309 8.714 6.321 1.00 1.00 H new ATOM 0 HD2 PRO A 28 85.465 7.978 6.812 1.00 1.00 H new ATOM 0 HD3 PRO A 28 86.675 8.497 7.969 1.00 1.00 H new ATOM 413 N LYS A 29 86.101 12.846 4.516 1.00 1.00 N ATOM 414 CA LYS A 29 85.278 13.813 3.731 1.00 1.00 C ATOM 415 C LYS A 29 84.352 13.042 2.785 1.00 1.00 C ATOM 416 O LYS A 29 84.194 11.842 2.896 1.00 1.00 O ATOM 417 CB LYS A 29 86.200 14.743 2.917 1.00 1.00 C ATOM 418 CG LYS A 29 87.603 14.137 2.839 1.00 1.00 C ATOM 419 CD LYS A 29 88.408 14.551 4.072 1.00 1.00 C ATOM 420 CE LYS A 29 88.776 16.032 3.968 1.00 1.00 C ATOM 421 NZ LYS A 29 87.820 16.841 4.775 1.00 1.00 N ATOM 0 H LYS A 29 87.107 13.009 4.481 1.00 1.00 H new ATOM 0 HA LYS A 29 84.678 14.416 4.413 1.00 1.00 H new ATOM 0 HB2 LYS A 29 85.797 14.883 1.914 1.00 1.00 H new ATOM 0 HB3 LYS A 29 86.244 15.727 3.383 1.00 1.00 H new ATOM 0 HG2 LYS A 29 87.538 13.050 2.782 1.00 1.00 H new ATOM 0 HG3 LYS A 29 88.106 14.474 1.933 1.00 1.00 H new ATOM 0 HD2 LYS A 29 87.826 14.373 4.976 1.00 1.00 H new ATOM 0 HD3 LYS A 29 89.311 13.946 4.150 1.00 1.00 H new ATOM 0 HE2 LYS A 29 89.794 16.190 4.325 1.00 1.00 H new ATOM 0 HE3 LYS A 29 88.750 16.352 2.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 87.378 17.562 4.170 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 87.084 16.219 5.167 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 88.330 17.307 5.552 1.00 1.00 H new ATOM 435 N CYS A 30 83.736 13.718 1.852 1.00 1.00 N ATOM 436 CA CYS A 30 82.824 13.009 0.909 1.00 1.00 C ATOM 437 C CYS A 30 82.622 13.865 -0.345 1.00 1.00 C ATOM 438 O CYS A 30 83.285 13.682 -1.347 1.00 1.00 O ATOM 439 CB CYS A 30 81.475 12.760 1.595 1.00 1.00 C ATOM 440 SG CYS A 30 81.173 10.979 1.701 1.00 1.00 S ATOM 0 H CYS A 30 83.824 14.723 1.703 1.00 1.00 H new ATOM 0 HA CYS A 30 83.262 12.053 0.623 1.00 1.00 H new ATOM 0 HB2 CYS A 30 81.475 13.200 2.592 1.00 1.00 H new ATOM 0 HB3 CYS A 30 80.675 13.243 1.034 1.00 1.00 H new ATOM 445 N LYS A 31 81.708 14.792 -0.299 1.00 1.00 N ATOM 446 CA LYS A 31 81.459 15.655 -1.488 1.00 1.00 C ATOM 447 C LYS A 31 81.288 14.774 -2.727 1.00 1.00 C ATOM 448 O LYS A 31 80.282 14.114 -2.897 1.00 1.00 O ATOM 449 CB LYS A 31 82.645 16.604 -1.695 1.00 1.00 C ATOM 450 CG LYS A 31 82.779 17.535 -0.489 1.00 1.00 C ATOM 451 CD LYS A 31 83.883 17.019 0.435 1.00 1.00 C ATOM 452 CE LYS A 31 85.240 17.531 -0.054 1.00 1.00 C ATOM 453 NZ LYS A 31 86.328 16.886 0.734 1.00 1.00 N ATOM 0 H LYS A 31 81.121 14.990 0.511 1.00 1.00 H new ATOM 0 HA LYS A 31 80.554 16.240 -1.327 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.563 16.031 -1.827 1.00 1.00 H new ATOM 0 HB3 LYS A 31 82.501 17.189 -2.603 1.00 1.00 H new ATOM 0 HG2 LYS A 31 83.012 18.547 -0.821 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.833 17.587 0.051 1.00 1.00 H new ATOM 0 HD2 LYS A 31 83.703 17.354 1.456 1.00 1.00 H new ATOM 0 HD3 LYS A 31 83.878 15.929 0.451 1.00 1.00 H new ATOM 0 HE2 LYS A 31 85.364 17.309 -1.114 1.00 1.00 H new ATOM 0 HE3 LYS A 31 85.292 18.614 0.053 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 87.236 17.342 0.510 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 86.129 16.990 1.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 86.379 15.876 0.493 1.00 1.00 H new ATOM 467 N GLN A 32 82.264 14.756 -3.593 1.00 1.00 N ATOM 468 CA GLN A 32 82.161 13.916 -4.822 1.00 1.00 C ATOM 469 C GLN A 32 83.545 13.360 -5.174 1.00 1.00 C ATOM 470 O GLN A 32 83.725 12.710 -6.184 1.00 1.00 O ATOM 471 CB GLN A 32 81.637 14.770 -5.982 1.00 1.00 C ATOM 472 CG GLN A 32 81.041 13.861 -7.059 1.00 1.00 C ATOM 473 CD GLN A 32 79.642 13.412 -6.632 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.221 13.671 -5.521 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.899 12.746 -7.472 1.00 1.00 N ATOM 0 H GLN A 32 83.130 15.287 -3.503 1.00 1.00 H new ATOM 0 HA GLN A 32 81.473 13.089 -4.644 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.881 15.467 -5.621 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.446 15.367 -6.402 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.990 14.391 -8.010 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.682 12.993 -7.213 1.00 1.00 H new ATOM 0 HE21 GLN A 32 79.252 12.529 -8.404 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.965 12.442 -7.197 1.00 1.00 H new ATOM 484 N ARG A 33 84.525 13.609 -4.347 1.00 1.00 N ATOM 485 CA ARG A 33 85.893 13.092 -4.637 1.00 1.00 C ATOM 486 C ARG A 33 86.693 12.992 -3.336 1.00 1.00 C ATOM 487 O ARG A 33 86.206 13.308 -2.268 1.00 1.00 O ATOM 488 CB ARG A 33 86.610 14.039 -5.607 1.00 1.00 C ATOM 489 CG ARG A 33 86.574 15.466 -5.057 1.00 1.00 C ATOM 490 CD ARG A 33 85.381 16.215 -5.655 1.00 1.00 C ATOM 491 NE ARG A 33 85.475 16.191 -7.142 1.00 1.00 N ATOM 492 CZ ARG A 33 86.309 16.985 -7.756 1.00 1.00 C ATOM 493 NH1 ARG A 33 87.061 17.800 -7.067 1.00 1.00 N ATOM 494 NH2 ARG A 33 86.392 16.965 -9.058 1.00 1.00 N ATOM 0 H ARG A 33 84.437 14.147 -3.485 1.00 1.00 H new ATOM 0 HA ARG A 33 85.813 12.104 -5.090 1.00 1.00 H new ATOM 0 HB2 ARG A 33 87.643 13.719 -5.746 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.131 14.004 -6.585 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.496 15.446 -3.970 1.00 1.00 H new ATOM 0 HG3 ARG A 33 87.501 15.984 -5.301 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.448 15.753 -5.331 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.368 17.245 -5.297 1.00 1.00 H new ATOM 0 HE ARG A 33 84.887 15.554 -7.680 1.00 1.00 H new ATOM 0 HH11 ARG A 33 86.997 17.816 -6.049 1.00 1.00 H new ATOM 0 HH12 ARG A 33 87.713 18.421 -7.547 1.00 1.00 H new ATOM 0 HH21 ARG A 33 85.805 16.328 -9.597 1.00 1.00 H new ATOM 0 HH22 ARG A 33 87.044 17.586 -9.537 1.00 1.00 H new ATOM 508 N GLN A 34 87.920 12.555 -3.418 1.00 1.00 N ATOM 509 CA GLN A 34 88.756 12.434 -2.191 1.00 1.00 C ATOM 510 C GLN A 34 88.184 11.335 -1.291 1.00 1.00 C ATOM 511 O GLN A 34 88.135 11.470 -0.084 1.00 1.00 O ATOM 512 CB GLN A 34 88.758 13.774 -1.442 1.00 1.00 C ATOM 513 CG GLN A 34 90.117 13.984 -0.771 1.00 1.00 C ATOM 514 CD GLN A 34 90.339 12.900 0.285 1.00 1.00 C ATOM 515 OE1 GLN A 34 90.566 11.673 -0.095 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 90.305 13.173 1.468 1.00 1.00 N flip ATOM 0 H GLN A 34 88.380 12.276 -4.284 1.00 1.00 H new ATOM 0 HA GLN A 34 89.778 12.175 -2.467 1.00 1.00 H new ATOM 0 HB2 GLN A 34 88.553 14.590 -2.135 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.966 13.785 -0.693 1.00 1.00 H new ATOM 0 HG2 GLN A 34 90.912 13.948 -1.516 1.00 1.00 H new ATOM 0 HG3 GLN A 34 90.157 14.970 -0.309 1.00 1.00 H new ATOM 0 HE21 GLN A 34 90.128 14.133 1.765 1.00 1.00 H new ATOM 0 HE22 GLN A 34 90.454 12.443 2.164 1.00 1.00 H new ATOM 525 N THR A 35 87.754 10.248 -1.870 1.00 1.00 N ATOM 526 CA THR A 35 87.189 9.138 -1.052 1.00 1.00 C ATOM 527 C THR A 35 88.335 8.296 -0.488 1.00 1.00 C ATOM 528 O THR A 35 88.885 8.597 0.553 1.00 1.00 O ATOM 529 CB THR A 35 86.295 8.261 -1.934 1.00 1.00 C ATOM 530 OG1 THR A 35 86.276 6.938 -1.418 1.00 1.00 O ATOM 531 CG2 THR A 35 86.841 8.246 -3.363 1.00 1.00 C ATOM 0 H THR A 35 87.770 10.080 -2.876 1.00 1.00 H new ATOM 0 HA THR A 35 86.599 9.548 -0.232 1.00 1.00 H new ATOM 0 HB THR A 35 85.282 8.664 -1.940 1.00 1.00 H new ATOM 0 HG1 THR A 35 85.703 6.376 -1.980 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.204 7.622 -3.989 1.00 1.00 H new ATOM 0 HG22 THR A 35 86.855 9.262 -3.758 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.854 7.844 -3.361 1.00 1.00 H new ATOM 539 N ARG A 36 88.703 7.247 -1.173 1.00 1.00 N ATOM 540 CA ARG A 36 89.820 6.384 -0.691 1.00 1.00 C ATOM 541 C ARG A 36 90.748 6.075 -1.867 1.00 1.00 C ATOM 542 O ARG A 36 91.468 5.097 -1.865 1.00 1.00 O ATOM 543 CB ARG A 36 89.253 5.078 -0.122 1.00 1.00 C ATOM 544 CG ARG A 36 90.272 4.450 0.831 1.00 1.00 C ATOM 545 CD ARG A 36 89.838 3.024 1.176 1.00 1.00 C ATOM 546 NE ARG A 36 90.990 2.282 1.760 1.00 1.00 N ATOM 547 CZ ARG A 36 91.991 1.928 1.001 1.00 1.00 C ATOM 548 NH1 ARG A 36 91.983 2.226 -0.270 1.00 1.00 N ATOM 549 NH2 ARG A 36 93.000 1.278 1.512 1.00 1.00 N ATOM 0 H ARG A 36 88.276 6.949 -2.050 1.00 1.00 H new ATOM 0 HA ARG A 36 90.376 6.900 0.092 1.00 1.00 H new ATOM 0 HB2 ARG A 36 88.319 5.274 0.405 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.023 4.386 -0.932 1.00 1.00 H new ATOM 0 HG2 ARG A 36 91.259 4.439 0.369 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.352 5.047 1.740 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.009 3.046 1.884 1.00 1.00 H new ATOM 0 HD3 ARG A 36 89.480 2.515 0.281 1.00 1.00 H new ATOM 0 HE ARG A 36 90.997 2.050 2.753 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.195 2.735 -0.669 1.00 1.00 H new ATOM 0 HH12 ARG A 36 92.765 1.950 -0.864 1.00 1.00 H new ATOM 0 HH21 ARG A 36 93.007 1.046 2.505 1.00 1.00 H new ATOM 0 HH22 ARG A 36 93.782 1.002 0.918 1.00 1.00 H new ATOM 563 N GLN A 37 90.732 6.905 -2.875 1.00 1.00 N ATOM 564 CA GLN A 37 91.609 6.666 -4.056 1.00 1.00 C ATOM 565 C GLN A 37 91.405 5.235 -4.558 1.00 1.00 C ATOM 566 O GLN A 37 90.582 4.983 -5.416 1.00 1.00 O ATOM 567 CB GLN A 37 93.071 6.869 -3.655 1.00 1.00 C ATOM 568 CG GLN A 37 93.349 8.363 -3.479 1.00 1.00 C ATOM 569 CD GLN A 37 92.393 8.942 -2.434 1.00 1.00 C ATOM 570 OE1 GLN A 37 92.464 8.523 -1.200 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 91.573 9.783 -2.744 1.00 1.00 N flip ATOM 0 H GLN A 37 90.148 7.740 -2.931 1.00 1.00 H new ATOM 0 HA GLN A 37 91.353 7.368 -4.850 1.00 1.00 H new ATOM 0 HB2 GLN A 37 93.282 6.337 -2.727 1.00 1.00 H new ATOM 0 HB3 GLN A 37 93.729 6.453 -4.418 1.00 1.00 H new ATOM 0 HG2 GLN A 37 94.382 8.517 -3.167 1.00 1.00 H new ATOM 0 HG3 GLN A 37 93.223 8.881 -4.429 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.518 10.110 -3.708 1.00 1.00 H new ATOM 0 HE22 GLN A 37 90.940 10.162 -2.040 1.00 1.00 H new ATOM 580 N CYS A 38 92.144 4.296 -4.023 1.00 1.00 N ATOM 581 CA CYS A 38 91.999 2.875 -4.456 1.00 1.00 C ATOM 582 C CYS A 38 91.706 2.817 -5.958 1.00 1.00 C ATOM 583 O CYS A 38 92.568 3.063 -6.776 1.00 1.00 O ATOM 584 CB CYS A 38 90.851 2.218 -3.685 1.00 1.00 C ATOM 585 SG CYS A 38 89.443 3.353 -3.615 1.00 1.00 S ATOM 0 H CYS A 38 92.846 4.455 -3.300 1.00 1.00 H new ATOM 0 HA CYS A 38 92.927 2.342 -4.250 1.00 1.00 H new ATOM 0 HB2 CYS A 38 90.558 1.288 -4.171 1.00 1.00 H new ATOM 0 HB3 CYS A 38 91.176 1.962 -2.677 1.00 1.00 H new ATOM 590 N LYS A 39 90.491 2.493 -6.316 1.00 1.00 N ATOM 591 CA LYS A 39 90.112 2.411 -7.754 1.00 1.00 C ATOM 592 C LYS A 39 91.196 1.673 -8.542 1.00 1.00 C ATOM 593 O LYS A 39 92.144 1.153 -7.986 1.00 1.00 O ATOM 594 CB LYS A 39 89.890 3.834 -8.313 1.00 1.00 C ATOM 595 CG LYS A 39 91.191 4.376 -8.908 1.00 1.00 C ATOM 596 CD LYS A 39 91.026 4.555 -10.419 1.00 1.00 C ATOM 597 CE LYS A 39 90.201 5.813 -10.697 1.00 1.00 C ATOM 598 NZ LYS A 39 91.057 7.019 -10.517 1.00 1.00 N ATOM 0 H LYS A 39 89.737 2.279 -5.663 1.00 1.00 H new ATOM 0 HA LYS A 39 89.182 1.851 -7.855 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.112 3.816 -9.076 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.542 4.494 -7.519 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.446 5.329 -8.444 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.012 3.690 -8.700 1.00 1.00 H new ATOM 0 HD2 LYS A 39 92.003 4.636 -10.895 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.533 3.682 -10.848 1.00 1.00 H new ATOM 0 HE2 LYS A 39 89.804 5.784 -11.712 1.00 1.00 H new ATOM 0 HE3 LYS A 39 89.346 5.857 -10.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.604 7.837 -10.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 91.178 7.211 -9.502 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 91.987 6.852 -10.951 1.00 1.00 H new ATOM 612 N SER A 40 91.057 1.622 -9.833 1.00 1.00 N ATOM 613 CA SER A 40 92.071 0.921 -10.670 1.00 1.00 C ATOM 614 C SER A 40 92.168 -0.544 -10.239 1.00 1.00 C ATOM 615 O SER A 40 93.244 -1.068 -10.031 1.00 1.00 O ATOM 616 CB SER A 40 93.432 1.595 -10.492 1.00 1.00 C ATOM 617 OG SER A 40 94.076 1.056 -9.346 1.00 1.00 O ATOM 0 H SER A 40 90.282 2.037 -10.350 1.00 1.00 H new ATOM 0 HA SER A 40 91.773 0.971 -11.717 1.00 1.00 H new ATOM 0 HB2 SER A 40 94.048 1.437 -11.377 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.306 2.672 -10.380 1.00 1.00 H new ATOM 0 HG SER A 40 93.515 1.202 -8.556 1.00 1.00 H new ATOM 623 N LYS A 41 91.050 -1.208 -10.104 1.00 1.00 N ATOM 624 CA LYS A 41 91.069 -2.641 -9.687 1.00 1.00 C ATOM 625 C LYS A 41 90.154 -3.451 -10.617 1.00 1.00 C ATOM 626 O LYS A 41 89.026 -3.070 -10.861 1.00 1.00 O ATOM 627 CB LYS A 41 90.560 -2.756 -8.247 1.00 1.00 C ATOM 628 CG LYS A 41 89.275 -1.940 -8.090 1.00 1.00 C ATOM 629 CD LYS A 41 88.864 -1.912 -6.617 1.00 1.00 C ATOM 630 CE LYS A 41 87.914 -3.076 -6.329 1.00 1.00 C ATOM 631 NZ LYS A 41 88.639 -4.366 -6.511 1.00 1.00 N ATOM 0 H LYS A 41 90.121 -0.818 -10.265 1.00 1.00 H new ATOM 0 HA LYS A 41 92.086 -3.028 -9.747 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.372 -3.801 -7.999 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.319 -2.396 -7.552 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.430 -0.924 -8.454 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.479 -2.377 -8.692 1.00 1.00 H new ATOM 0 HD2 LYS A 41 89.746 -1.983 -5.981 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.377 -0.965 -6.382 1.00 1.00 H new ATOM 0 HE2 LYS A 41 87.530 -3.003 -5.312 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.055 -3.032 -6.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.143 -5.119 -5.993 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 88.673 -4.606 -7.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 89.608 -4.274 -6.145 1.00 1.00 H new ATOM 645 N PRO A 42 90.626 -4.560 -11.138 1.00 1.00 N ATOM 646 CA PRO A 42 89.819 -5.419 -12.053 1.00 1.00 C ATOM 647 C PRO A 42 88.771 -6.245 -11.294 1.00 1.00 C ATOM 648 O PRO A 42 88.878 -6.443 -10.100 1.00 1.00 O ATOM 649 CB PRO A 42 90.863 -6.335 -12.696 1.00 1.00 C ATOM 650 CG PRO A 42 91.956 -6.440 -11.684 1.00 1.00 C ATOM 651 CD PRO A 42 91.971 -5.116 -10.914 1.00 1.00 C ATOM 0 HA PRO A 42 89.252 -4.831 -12.774 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.442 -7.314 -12.926 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.231 -5.918 -13.633 1.00 1.00 H new ATOM 0 HG2 PRO A 42 91.780 -7.278 -11.010 1.00 1.00 H new ATOM 0 HG3 PRO A 42 92.916 -6.617 -12.168 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.167 -5.273 -9.853 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.747 -4.447 -11.286 1.00 1.00 H new ATOM 659 N PRO A 43 87.770 -6.727 -11.985 1.00 1.00 N ATOM 660 CA PRO A 43 86.690 -7.550 -11.366 1.00 1.00 C ATOM 661 C PRO A 43 87.180 -8.959 -11.016 1.00 1.00 C ATOM 662 O PRO A 43 87.654 -9.687 -11.866 1.00 1.00 O ATOM 663 CB PRO A 43 85.614 -7.608 -12.455 1.00 1.00 C ATOM 664 CG PRO A 43 86.353 -7.433 -13.740 1.00 1.00 C ATOM 665 CD PRO A 43 87.559 -6.544 -13.430 1.00 1.00 C ATOM 0 HA PRO A 43 86.333 -7.125 -10.428 1.00 1.00 H new ATOM 0 HB2 PRO A 43 85.081 -8.559 -12.433 1.00 1.00 H new ATOM 0 HB3 PRO A 43 84.871 -6.823 -12.317 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.673 -8.396 -14.138 1.00 1.00 H new ATOM 0 HG3 PRO A 43 85.715 -6.972 -14.495 1.00 1.00 H new ATOM 0 HD2 PRO A 43 88.436 -6.845 -14.003 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.360 -5.501 -13.676 1.00 1.00 H new ATOM 673 N LYS A 44 87.074 -9.349 -9.774 1.00 1.00 N ATOM 674 CA LYS A 44 87.543 -10.711 -9.379 1.00 1.00 C ATOM 675 C LYS A 44 86.669 -11.251 -8.245 1.00 1.00 C ATOM 676 O LYS A 44 85.939 -12.207 -8.412 1.00 1.00 O ATOM 677 CB LYS A 44 88.996 -10.635 -8.895 1.00 1.00 C ATOM 678 CG LYS A 44 89.933 -10.491 -10.096 1.00 1.00 C ATOM 679 CD LYS A 44 89.920 -11.784 -10.913 1.00 1.00 C ATOM 680 CE LYS A 44 91.258 -11.945 -11.636 1.00 1.00 C ATOM 681 NZ LYS A 44 92.294 -12.404 -10.668 1.00 1.00 N ATOM 0 H LYS A 44 86.685 -8.786 -9.017 1.00 1.00 H new ATOM 0 HA LYS A 44 87.475 -11.374 -10.242 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.121 -9.788 -8.221 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.249 -11.532 -8.330 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.618 -9.653 -10.718 1.00 1.00 H new ATOM 0 HG3 LYS A 44 90.946 -10.273 -9.756 1.00 1.00 H new ATOM 0 HD2 LYS A 44 89.743 -12.638 -10.259 1.00 1.00 H new ATOM 0 HD3 LYS A 44 89.104 -11.762 -11.636 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.160 -12.665 -12.449 1.00 1.00 H new ATOM 0 HE3 LYS A 44 91.558 -10.998 -12.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 93.103 -12.802 -11.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 92.614 -11.598 -10.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 91.890 -13.133 -10.046 1.00 1.00 H new ATOM 695 N LYS A 45 86.752 -10.653 -7.087 1.00 1.00 N ATOM 696 CA LYS A 45 85.943 -11.135 -5.931 1.00 1.00 C ATOM 697 C LYS A 45 84.519 -11.467 -6.389 1.00 1.00 C ATOM 698 O LYS A 45 84.237 -12.573 -6.805 1.00 1.00 O ATOM 699 CB LYS A 45 85.909 -10.050 -4.848 1.00 1.00 C ATOM 700 CG LYS A 45 85.319 -10.627 -3.560 1.00 1.00 C ATOM 701 CD LYS A 45 86.414 -11.354 -2.777 1.00 1.00 C ATOM 702 CE LYS A 45 85.826 -11.921 -1.483 1.00 1.00 C ATOM 703 NZ LYS A 45 85.159 -13.222 -1.769 1.00 1.00 N ATOM 0 H LYS A 45 87.348 -9.848 -6.892 1.00 1.00 H new ATOM 0 HA LYS A 45 86.397 -12.038 -5.523 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.916 -9.676 -4.663 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.311 -9.203 -5.186 1.00 1.00 H new ATOM 0 HG2 LYS A 45 84.893 -9.828 -2.953 1.00 1.00 H new ATOM 0 HG3 LYS A 45 84.508 -11.316 -3.796 1.00 1.00 H new ATOM 0 HD2 LYS A 45 86.835 -12.158 -3.381 1.00 1.00 H new ATOM 0 HD3 LYS A 45 87.229 -10.667 -2.548 1.00 1.00 H new ATOM 0 HE2 LYS A 45 86.614 -12.059 -0.743 1.00 1.00 H new ATOM 0 HE3 LYS A 45 85.109 -11.218 -1.058 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 84.759 -13.608 -0.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 84.397 -13.077 -2.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 85.855 -13.891 -2.156 1.00 1.00 H new ATOM 717 N GLY A 46 83.617 -10.526 -6.316 1.00 1.00 N ATOM 718 CA GLY A 46 82.219 -10.807 -6.748 1.00 1.00 C ATOM 719 C GLY A 46 82.217 -11.270 -8.207 1.00 1.00 C ATOM 720 O GLY A 46 82.795 -10.637 -9.067 1.00 1.00 O ATOM 0 H GLY A 46 83.787 -9.579 -5.977 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.778 -11.574 -6.112 1.00 1.00 H new ATOM 0 HA3 GLY A 46 81.607 -9.912 -6.639 1.00 1.00 H new ATOM 724 N VAL A 47 81.569 -12.369 -8.491 1.00 1.00 N ATOM 725 CA VAL A 47 81.524 -12.876 -9.896 1.00 1.00 C ATOM 726 C VAL A 47 80.098 -12.744 -10.436 1.00 1.00 C ATOM 727 O VAL A 47 79.868 -12.786 -11.628 1.00 1.00 O ATOM 728 CB VAL A 47 81.948 -14.346 -9.923 1.00 1.00 C ATOM 729 CG1 VAL A 47 83.466 -14.443 -9.764 1.00 1.00 C ATOM 730 CG2 VAL A 47 81.267 -15.093 -8.774 1.00 1.00 C ATOM 0 H VAL A 47 81.068 -12.939 -7.810 1.00 1.00 H new ATOM 0 HA VAL A 47 82.204 -12.293 -10.517 1.00 1.00 H new ATOM 0 HB VAL A 47 81.653 -14.792 -10.873 1.00 1.00 H new ATOM 0 HG11 VAL A 47 83.768 -15.490 -9.783 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.952 -13.910 -10.581 1.00 1.00 H new ATOM 0 HG13 VAL A 47 83.762 -13.998 -8.814 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.568 -16.140 -8.792 1.00 1.00 H new ATOM 0 HG22 VAL A 47 81.562 -14.647 -7.824 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.185 -15.025 -8.886 1.00 1.00 H new ATOM 740 N GLN A 48 79.140 -12.579 -9.566 1.00 1.00 N ATOM 741 CA GLN A 48 77.729 -12.439 -10.026 1.00 1.00 C ATOM 742 C GLN A 48 77.488 -11.000 -10.484 1.00 1.00 C ATOM 743 O GLN A 48 76.866 -10.755 -11.499 1.00 1.00 O ATOM 744 CB GLN A 48 76.780 -12.774 -8.870 1.00 1.00 C ATOM 745 CG GLN A 48 77.068 -11.852 -7.684 1.00 1.00 C ATOM 746 CD GLN A 48 76.214 -10.588 -7.800 1.00 1.00 C ATOM 747 OE1 GLN A 48 76.120 -9.782 -6.778 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 75.625 -10.331 -8.832 1.00 1.00 N flip ATOM 0 H GLN A 48 79.273 -12.535 -8.556 1.00 1.00 H new ATOM 0 HA GLN A 48 77.545 -13.122 -10.855 1.00 1.00 H new ATOM 0 HB2 GLN A 48 75.745 -12.657 -9.191 1.00 1.00 H new ATOM 0 HB3 GLN A 48 76.906 -13.815 -8.573 1.00 1.00 H new ATOM 0 HG2 GLN A 48 76.849 -12.367 -6.748 1.00 1.00 H new ATOM 0 HG3 GLN A 48 78.125 -11.588 -7.663 1.00 1.00 H new ATOM 0 HE21 GLN A 48 75.698 -10.961 -9.631 1.00 1.00 H new ATOM 0 HE22 GLN A 48 75.058 -9.486 -8.899 1.00 1.00 H new ATOM 757 N GLY A 49 77.980 -10.046 -9.743 1.00 1.00 N ATOM 758 CA GLY A 49 77.788 -8.620 -10.128 1.00 1.00 C ATOM 759 C GLY A 49 78.903 -7.779 -9.508 1.00 1.00 C ATOM 760 O GLY A 49 78.832 -7.389 -8.359 1.00 1.00 O ATOM 0 H GLY A 49 78.509 -10.194 -8.884 1.00 1.00 H new ATOM 0 HA2 GLY A 49 77.800 -8.519 -11.213 1.00 1.00 H new ATOM 0 HA3 GLY A 49 76.816 -8.266 -9.786 1.00 1.00 H new ATOM 764 N CYS A 50 79.938 -7.501 -10.253 1.00 1.00 N ATOM 765 CA CYS A 50 81.057 -6.691 -9.695 1.00 1.00 C ATOM 766 C CYS A 50 81.842 -6.040 -10.835 1.00 1.00 C ATOM 767 O CYS A 50 82.618 -6.684 -11.514 1.00 1.00 O ATOM 768 CB CYS A 50 81.990 -7.599 -8.891 1.00 1.00 C ATOM 769 SG CYS A 50 83.429 -6.650 -8.341 1.00 1.00 S ATOM 0 H CYS A 50 80.057 -7.799 -11.221 1.00 1.00 H new ATOM 0 HA CYS A 50 80.651 -5.915 -9.046 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.462 -8.011 -8.031 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.310 -8.443 -9.502 1.00 1.00 H new ATOM 774 N GLY A 51 81.658 -4.766 -11.043 1.00 1.00 N ATOM 775 CA GLY A 51 82.405 -4.070 -12.128 1.00 1.00 C ATOM 776 C GLY A 51 81.694 -4.266 -13.468 1.00 1.00 C ATOM 777 O GLY A 51 82.319 -4.513 -14.480 1.00 1.00 O ATOM 0 H GLY A 51 81.021 -4.176 -10.508 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.483 -3.007 -11.902 1.00 1.00 H new ATOM 0 HA3 GLY A 51 83.422 -4.459 -12.187 1.00 1.00 H new ATOM 781 N ASP A 52 80.394 -4.149 -13.492 1.00 1.00 N ATOM 782 CA ASP A 52 79.662 -4.319 -14.778 1.00 1.00 C ATOM 783 C ASP A 52 80.155 -3.266 -15.773 1.00 1.00 C ATOM 784 O ASP A 52 79.726 -3.219 -16.908 1.00 1.00 O ATOM 785 CB ASP A 52 78.161 -4.141 -14.544 1.00 1.00 C ATOM 786 CG ASP A 52 77.921 -2.894 -13.690 1.00 1.00 C ATOM 787 OD1 ASP A 52 78.725 -1.980 -13.773 1.00 1.00 O ATOM 788 OD2 ASP A 52 76.938 -2.875 -12.968 1.00 1.00 O ATOM 0 H ASP A 52 79.810 -3.944 -12.681 1.00 1.00 H new ATOM 0 HA ASP A 52 79.844 -5.317 -15.176 1.00 1.00 H new ATOM 0 HB2 ASP A 52 77.642 -4.047 -15.498 1.00 1.00 H new ATOM 0 HB3 ASP A 52 77.753 -5.020 -14.045 1.00 1.00 H new ATOM 793 N ASP A 53 81.059 -2.422 -15.350 1.00 1.00 N ATOM 794 CA ASP A 53 81.594 -1.366 -16.258 1.00 1.00 C ATOM 795 C ASP A 53 80.526 -0.287 -16.475 1.00 1.00 C ATOM 796 O ASP A 53 80.755 0.697 -17.150 1.00 1.00 O ATOM 797 CB ASP A 53 82.009 -1.997 -17.601 1.00 1.00 C ATOM 798 CG ASP A 53 80.961 -1.678 -18.669 1.00 1.00 C ATOM 799 OD1 ASP A 53 80.899 -0.533 -19.086 1.00 1.00 O ATOM 800 OD2 ASP A 53 80.239 -2.583 -19.051 1.00 1.00 O ATOM 0 H ASP A 53 81.452 -2.419 -14.409 1.00 1.00 H new ATOM 0 HA ASP A 53 82.472 -0.904 -15.806 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.982 -1.614 -17.908 1.00 1.00 H new ATOM 0 HB3 ASP A 53 82.112 -3.076 -17.490 1.00 1.00 H new ATOM 805 N ILE A 54 79.364 -0.463 -15.900 1.00 1.00 N ATOM 806 CA ILE A 54 78.280 0.552 -16.064 1.00 1.00 C ATOM 807 C ILE A 54 77.729 0.922 -14.679 1.00 1.00 C ATOM 808 O ILE A 54 77.372 0.055 -13.905 1.00 1.00 O ATOM 809 CB ILE A 54 77.145 -0.039 -16.912 1.00 1.00 C ATOM 810 CG1 ILE A 54 77.740 -0.784 -18.109 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.241 1.089 -17.413 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.249 0.226 -19.139 1.00 1.00 C ATOM 0 H ILE A 54 79.119 -1.267 -15.323 1.00 1.00 H new ATOM 0 HA ILE A 54 78.681 1.437 -16.558 1.00 1.00 H new ATOM 0 HB ILE A 54 76.560 -0.731 -16.305 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.557 -1.427 -17.781 1.00 1.00 H new ATOM 0 HG13 ILE A 54 76.987 -1.430 -18.559 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.435 0.669 -18.015 1.00 1.00 H new ATOM 0 HG22 ILE A 54 75.818 1.622 -16.561 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.825 1.781 -18.020 1.00 1.00 H new ATOM 0 HD11 ILE A 54 78.673 -0.305 -19.991 1.00 1.00 H new ATOM 0 HD12 ILE A 54 77.422 0.851 -19.476 1.00 1.00 H new ATOM 0 HD13 ILE A 54 79.016 0.854 -18.685 1.00 1.00 H new ATOM 824 N PRO A 55 77.653 2.193 -14.360 1.00 1.00 N ATOM 825 CA PRO A 55 77.129 2.651 -13.041 1.00 1.00 C ATOM 826 C PRO A 55 75.603 2.534 -12.959 1.00 1.00 C ATOM 827 O PRO A 55 74.966 1.983 -13.834 1.00 1.00 O ATOM 828 CB PRO A 55 77.564 4.116 -12.967 1.00 1.00 C ATOM 829 CG PRO A 55 77.671 4.560 -14.389 1.00 1.00 C ATOM 830 CD PRO A 55 78.053 3.325 -15.212 1.00 1.00 C ATOM 0 HA PRO A 55 77.508 2.047 -12.217 1.00 1.00 H new ATOM 0 HB2 PRO A 55 76.837 4.716 -12.420 1.00 1.00 H new ATOM 0 HB3 PRO A 55 78.517 4.219 -12.449 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.726 4.978 -14.735 1.00 1.00 H new ATOM 0 HG3 PRO A 55 78.423 5.342 -14.494 1.00 1.00 H new ATOM 0 HD2 PRO A 55 77.533 3.307 -16.170 1.00 1.00 H new ATOM 0 HD3 PRO A 55 79.121 3.304 -15.428 1.00 1.00 H new ATOM 838 N GLY A 56 75.013 3.048 -11.916 1.00 1.00 N ATOM 839 CA GLY A 56 73.531 2.965 -11.783 1.00 1.00 C ATOM 840 C GLY A 56 72.872 3.764 -12.909 1.00 1.00 C ATOM 841 O GLY A 56 71.667 3.917 -12.951 1.00 1.00 O ATOM 0 H GLY A 56 75.492 3.522 -11.150 1.00 1.00 H new ATOM 0 HA2 GLY A 56 73.209 1.924 -11.825 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.220 3.356 -10.815 1.00 1.00 H new ATOM 845 N MET A 57 73.652 4.273 -13.824 1.00 1.00 N ATOM 846 CA MET A 57 73.069 5.060 -14.948 1.00 1.00 C ATOM 847 C MET A 57 72.063 6.076 -14.394 1.00 1.00 C ATOM 848 O MET A 57 71.136 6.478 -15.069 1.00 1.00 O ATOM 849 CB MET A 57 72.363 4.102 -15.923 1.00 1.00 C ATOM 850 CG MET A 57 72.986 4.237 -17.314 1.00 1.00 C ATOM 851 SD MET A 57 72.841 5.951 -17.876 1.00 1.00 S ATOM 852 CE MET A 57 74.573 6.183 -18.348 1.00 1.00 C ATOM 0 H MET A 57 74.667 4.178 -13.842 1.00 1.00 H new ATOM 0 HA MET A 57 73.860 5.594 -15.474 1.00 1.00 H new ATOM 0 HB2 MET A 57 72.455 3.075 -15.570 1.00 1.00 H new ATOM 0 HB3 MET A 57 71.298 4.330 -15.966 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.034 3.940 -17.285 1.00 1.00 H new ATOM 0 HG3 MET A 57 72.485 3.570 -18.015 1.00 1.00 H new ATOM 0 HE1 MET A 57 74.714 7.194 -18.731 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.211 6.033 -17.477 1.00 1.00 H new ATOM 0 HE3 MET A 57 74.839 5.462 -19.121 1.00 1.00 H new ATOM 862 N GLU A 58 72.238 6.494 -13.170 1.00 1.00 N ATOM 863 CA GLU A 58 71.291 7.481 -12.577 1.00 1.00 C ATOM 864 C GLU A 58 69.875 6.900 -12.600 1.00 1.00 C ATOM 865 O GLU A 58 68.974 7.450 -13.203 1.00 1.00 O ATOM 866 CB GLU A 58 71.334 8.780 -13.391 1.00 1.00 C ATOM 867 CG GLU A 58 70.906 9.953 -12.506 1.00 1.00 C ATOM 868 CD GLU A 58 71.019 11.257 -13.298 1.00 1.00 C ATOM 869 OE1 GLU A 58 70.630 11.261 -14.454 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.492 12.230 -12.734 1.00 1.00 O ATOM 0 H GLU A 58 72.995 6.195 -12.555 1.00 1.00 H new ATOM 0 HA GLU A 58 71.577 7.693 -11.547 1.00 1.00 H new ATOM 0 HB2 GLU A 58 72.341 8.948 -13.774 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.673 8.702 -14.254 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.881 9.810 -12.165 1.00 1.00 H new ATOM 0 HG3 GLU A 58 71.534 10.000 -11.617 1.00 1.00 H new ATOM 877 N GLY A 59 69.674 5.788 -11.948 1.00 1.00 N ATOM 878 CA GLY A 59 68.322 5.163 -11.929 1.00 1.00 C ATOM 879 C GLY A 59 68.426 3.770 -11.311 1.00 1.00 C ATOM 880 O GLY A 59 68.761 2.811 -11.975 1.00 1.00 O ATOM 0 H GLY A 59 70.391 5.284 -11.426 1.00 1.00 H new ATOM 0 HA2 GLY A 59 67.631 5.779 -11.354 1.00 1.00 H new ATOM 0 HA3 GLY A 59 67.924 5.097 -12.941 1.00 1.00 H new ATOM 884 N CYS A 60 68.152 3.653 -10.041 1.00 1.00 N ATOM 885 CA CYS A 60 68.246 2.322 -9.378 1.00 1.00 C ATOM 886 C CYS A 60 67.536 1.272 -10.238 1.00 1.00 C ATOM 887 O CYS A 60 66.356 1.028 -10.090 1.00 1.00 O ATOM 888 CB CYS A 60 67.589 2.392 -7.994 1.00 1.00 C ATOM 889 SG CYS A 60 67.623 4.100 -7.396 1.00 1.00 S ATOM 0 H CYS A 60 67.867 4.421 -9.434 1.00 1.00 H new ATOM 0 HA CYS A 60 69.294 2.044 -9.264 1.00 1.00 H new ATOM 0 HB2 CYS A 60 66.561 2.035 -8.049 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.115 1.741 -7.296 1.00 1.00 H new ATOM 894 N GLY A 61 68.248 0.649 -11.141 1.00 1.00 N ATOM 895 CA GLY A 61 67.615 -0.382 -12.010 1.00 1.00 C ATOM 896 C GLY A 61 68.706 -1.306 -12.541 1.00 1.00 C ATOM 897 O GLY A 61 68.448 -2.413 -12.971 1.00 1.00 O ATOM 0 H GLY A 61 69.240 0.811 -11.313 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.878 -0.952 -11.445 1.00 1.00 H new ATOM 0 HA3 GLY A 61 67.086 0.093 -12.836 1.00 1.00 H new ATOM 901 N THR A 62 69.928 -0.851 -12.506 1.00 1.00 N ATOM 902 CA THR A 62 71.062 -1.681 -12.995 1.00 1.00 C ATOM 903 C THR A 62 71.896 -2.133 -11.797 1.00 1.00 C ATOM 904 O THR A 62 72.324 -3.268 -11.716 1.00 1.00 O ATOM 905 CB THR A 62 71.933 -0.838 -13.926 1.00 1.00 C ATOM 906 OG1 THR A 62 71.223 -0.579 -15.129 1.00 1.00 O ATOM 907 CG2 THR A 62 73.224 -1.594 -14.245 1.00 1.00 C ATOM 0 H THR A 62 70.191 0.070 -12.156 1.00 1.00 H new ATOM 0 HA THR A 62 70.684 -2.550 -13.533 1.00 1.00 H new ATOM 0 HB THR A 62 72.180 0.105 -13.439 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.779 -0.037 -15.727 1.00 1.00 H new ATOM 0 HG21 THR A 62 73.844 -0.991 -14.909 1.00 1.00 H new ATOM 0 HG22 THR A 62 73.768 -1.792 -13.321 1.00 1.00 H new ATOM 0 HG23 THR A 62 72.982 -2.538 -14.733 1.00 1.00 H new ATOM 915 N ASP A 63 72.130 -1.250 -10.863 1.00 1.00 N ATOM 916 CA ASP A 63 72.935 -1.626 -9.669 1.00 1.00 C ATOM 917 C ASP A 63 72.380 -2.923 -9.081 1.00 1.00 C ATOM 918 O ASP A 63 73.118 -3.766 -8.610 1.00 1.00 O ATOM 919 CB ASP A 63 72.862 -0.506 -8.627 1.00 1.00 C ATOM 920 CG ASP A 63 71.473 0.135 -8.662 1.00 1.00 C ATOM 921 OD1 ASP A 63 71.152 0.752 -9.664 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.754 -0.003 -7.686 1.00 1.00 O ATOM 0 H ASP A 63 71.798 -0.286 -10.877 1.00 1.00 H new ATOM 0 HA ASP A 63 73.976 -1.774 -9.956 1.00 1.00 H new ATOM 0 HB2 ASP A 63 73.065 -0.906 -7.633 1.00 1.00 H new ATOM 0 HB3 ASP A 63 73.626 0.245 -8.830 1.00 1.00 H new ATOM 927 N ILE A 64 71.086 -3.102 -9.117 1.00 1.00 N ATOM 928 CA ILE A 64 70.503 -4.359 -8.574 1.00 1.00 C ATOM 929 C ILE A 64 70.696 -5.462 -9.605 1.00 1.00 C ATOM 930 O ILE A 64 69.851 -6.317 -9.782 1.00 1.00 O ATOM 931 CB ILE A 64 69.010 -4.175 -8.290 1.00 1.00 C ATOM 932 CG1 ILE A 64 68.458 -5.440 -7.628 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.267 -3.923 -9.603 1.00 1.00 C ATOM 934 CD1 ILE A 64 67.224 -5.920 -8.394 1.00 1.00 C ATOM 0 H ILE A 64 70.413 -2.436 -9.497 1.00 1.00 H new ATOM 0 HA ILE A 64 71.001 -4.621 -7.640 1.00 1.00 H new ATOM 0 HB ILE A 64 68.870 -3.324 -7.624 1.00 1.00 H new ATOM 0 HG12 ILE A 64 69.219 -6.220 -7.618 1.00 1.00 H new ATOM 0 HG13 ILE A 64 68.198 -5.236 -6.589 1.00 1.00 H new ATOM 0 HG21 ILE A 64 67.204 -3.792 -9.400 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.660 -3.023 -10.076 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.407 -4.774 -10.269 1.00 1.00 H new ATOM 0 HD11 ILE A 64 66.831 -6.821 -7.923 1.00 1.00 H new ATOM 0 HD12 ILE A 64 66.462 -5.141 -8.381 1.00 1.00 H new ATOM 0 HD13 ILE A 64 67.499 -6.141 -9.425 1.00 1.00 H new ATOM 946 N THR A 65 71.810 -5.446 -10.289 1.00 1.00 N ATOM 947 CA THR A 65 72.073 -6.499 -11.314 1.00 1.00 C ATOM 948 C THR A 65 71.508 -7.822 -10.804 1.00 1.00 C ATOM 949 O THR A 65 71.102 -8.678 -11.564 1.00 1.00 O ATOM 950 CB THR A 65 73.583 -6.642 -11.534 1.00 1.00 C ATOM 951 OG1 THR A 65 74.153 -5.357 -11.739 1.00 1.00 O ATOM 952 CG2 THR A 65 73.841 -7.519 -12.760 1.00 1.00 C ATOM 0 H THR A 65 72.548 -4.750 -10.182 1.00 1.00 H new ATOM 0 HA THR A 65 71.601 -6.225 -12.257 1.00 1.00 H new ATOM 0 HB THR A 65 74.036 -7.105 -10.658 1.00 1.00 H new ATOM 0 HG1 THR A 65 73.438 -4.698 -11.862 1.00 1.00 H new ATOM 0 HG21 THR A 65 74.915 -7.620 -12.916 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.403 -8.504 -12.601 1.00 1.00 H new ATOM 0 HG23 THR A 65 73.389 -7.058 -13.638 1.00 1.00 H new ATOM 960 N VAL A 66 71.467 -7.976 -9.508 1.00 1.00 N ATOM 961 CA VAL A 66 70.918 -9.220 -8.910 1.00 1.00 C ATOM 962 C VAL A 66 70.280 -8.885 -7.558 1.00 1.00 C ATOM 963 O VAL A 66 69.082 -8.988 -7.385 1.00 1.00 O ATOM 964 CB VAL A 66 72.049 -10.235 -8.712 1.00 1.00 C ATOM 965 CG1 VAL A 66 71.454 -11.629 -8.502 1.00 1.00 C ATOM 966 CG2 VAL A 66 72.945 -10.246 -9.952 1.00 1.00 C ATOM 0 H VAL A 66 71.795 -7.284 -8.834 1.00 1.00 H new ATOM 0 HA VAL A 66 70.166 -9.648 -9.573 1.00 1.00 H new ATOM 0 HB VAL A 66 72.638 -9.956 -7.838 1.00 1.00 H new ATOM 0 HG11 VAL A 66 72.259 -12.351 -8.361 1.00 1.00 H new ATOM 0 HG12 VAL A 66 70.814 -11.622 -7.620 1.00 1.00 H new ATOM 0 HG13 VAL A 66 70.865 -11.908 -9.375 1.00 1.00 H new ATOM 0 HG21 VAL A 66 73.750 -10.967 -9.813 1.00 1.00 H new ATOM 0 HG22 VAL A 66 72.355 -10.525 -10.825 1.00 1.00 H new ATOM 0 HG23 VAL A 66 73.369 -9.253 -10.103 1.00 1.00 H new ATOM 976 N ILE A 67 71.073 -8.476 -6.601 1.00 1.00 N ATOM 977 CA ILE A 67 70.527 -8.123 -5.257 1.00 1.00 C ATOM 978 C ILE A 67 71.207 -6.850 -4.751 1.00 1.00 C ATOM 979 O ILE A 67 72.310 -6.892 -4.242 1.00 1.00 O ATOM 980 CB ILE A 67 70.795 -9.265 -4.271 1.00 1.00 C ATOM 981 CG1 ILE A 67 70.034 -10.514 -4.721 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.322 -8.857 -2.875 1.00 1.00 C ATOM 983 CD1 ILE A 67 71.025 -11.553 -5.250 1.00 1.00 C ATOM 0 H ILE A 67 72.083 -8.371 -6.695 1.00 1.00 H new ATOM 0 HA ILE A 67 69.452 -7.960 -5.338 1.00 1.00 H new ATOM 0 HB ILE A 67 71.864 -9.478 -4.244 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.468 -10.928 -3.887 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.314 -10.254 -5.497 1.00 1.00 H new ATOM 0 HG21 ILE A 67 70.513 -9.670 -2.174 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.862 -7.966 -2.554 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.253 -8.644 -2.901 1.00 1.00 H new ATOM 0 HD11 ILE A 67 70.483 -12.443 -5.571 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.572 -11.137 -6.096 1.00 1.00 H new ATOM 0 HD13 ILE A 67 71.727 -11.821 -4.461 1.00 1.00 H new ATOM 995 N CYS A 68 70.570 -5.722 -4.876 1.00 1.00 N ATOM 996 CA CYS A 68 71.204 -4.466 -4.386 1.00 1.00 C ATOM 997 C CYS A 68 71.101 -4.411 -2.857 1.00 1.00 C ATOM 998 O CYS A 68 70.083 -4.749 -2.288 1.00 1.00 O ATOM 999 CB CYS A 68 70.486 -3.261 -5.003 1.00 1.00 C ATOM 1000 SG CYS A 68 71.710 -2.089 -5.639 1.00 1.00 S ATOM 0 H CYS A 68 69.645 -5.613 -5.292 1.00 1.00 H new ATOM 0 HA CYS A 68 72.254 -4.443 -4.676 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.829 -3.589 -5.808 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.858 -2.777 -4.256 1.00 1.00 H new ATOM 1005 N PRO A 69 72.150 -4.006 -2.187 1.00 1.00 N ATOM 1006 CA PRO A 69 72.172 -3.919 -0.698 1.00 1.00 C ATOM 1007 C PRO A 69 70.869 -3.379 -0.084 1.00 1.00 C ATOM 1008 O PRO A 69 70.632 -3.534 1.098 1.00 1.00 O ATOM 1009 CB PRO A 69 73.324 -2.956 -0.417 1.00 1.00 C ATOM 1010 CG PRO A 69 74.265 -3.127 -1.565 1.00 1.00 C ATOM 1011 CD PRO A 69 73.433 -3.581 -2.771 1.00 1.00 C ATOM 0 HA PRO A 69 72.287 -4.908 -0.253 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.970 -1.927 -0.348 1.00 1.00 H new ATOM 0 HB3 PRO A 69 73.811 -3.190 0.530 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.780 -2.191 -1.783 1.00 1.00 H new ATOM 0 HG3 PRO A 69 75.032 -3.864 -1.327 1.00 1.00 H new ATOM 0 HD2 PRO A 69 73.295 -2.771 -3.487 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.918 -4.399 -3.304 1.00 1.00 H new ATOM 1019 N TRP A 70 70.029 -2.734 -0.851 1.00 1.00 N ATOM 1020 CA TRP A 70 68.772 -2.189 -0.255 1.00 1.00 C ATOM 1021 C TRP A 70 67.781 -3.323 0.020 1.00 1.00 C ATOM 1022 O TRP A 70 66.581 -3.131 0.018 1.00 1.00 O ATOM 1023 CB TRP A 70 68.151 -1.138 -1.187 1.00 1.00 C ATOM 1024 CG TRP A 70 67.624 -1.797 -2.421 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.766 -3.108 -2.723 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.876 -1.202 -3.522 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.153 -3.357 -3.937 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.590 -2.215 -4.470 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.423 0.102 -3.788 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 65.879 -1.940 -5.641 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 65.709 0.381 -4.962 1.00 1.00 C ATOM 1032 CH2 TRP A 70 65.437 -0.636 -5.887 1.00 1.00 C ATOM 0 H TRP A 70 70.155 -2.563 -1.849 1.00 1.00 H new ATOM 0 HA TRP A 70 69.013 -1.706 0.692 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.346 -0.614 -0.672 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.898 -0.390 -1.455 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.275 -3.841 -2.115 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.121 -4.273 -4.384 1.00 1.00 H new ATOM 0 HE3 TRP A 70 66.626 0.894 -3.083 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.672 -2.728 -6.350 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 65.366 1.387 -5.155 1.00 1.00 H new ATOM 0 HH2 TRP A 70 64.887 -0.413 -6.789 1.00 1.00 H new ATOM 1043 N GLU A 71 68.284 -4.503 0.271 1.00 1.00 N ATOM 1044 CA GLU A 71 67.393 -5.662 0.563 1.00 1.00 C ATOM 1045 C GLU A 71 68.071 -6.544 1.614 1.00 1.00 C ATOM 1046 O GLU A 71 67.783 -6.457 2.791 1.00 1.00 O ATOM 1047 CB GLU A 71 67.167 -6.472 -0.720 1.00 1.00 C ATOM 1048 CG GLU A 71 66.048 -5.828 -1.541 1.00 1.00 C ATOM 1049 CD GLU A 71 66.140 -6.305 -2.992 1.00 1.00 C ATOM 1050 OE1 GLU A 71 67.206 -6.177 -3.570 1.00 1.00 O ATOM 1051 OE2 GLU A 71 65.142 -6.789 -3.500 1.00 1.00 O ATOM 0 H GLU A 71 69.282 -4.714 0.286 1.00 1.00 H new ATOM 0 HA GLU A 71 66.431 -5.310 0.935 1.00 1.00 H new ATOM 0 HB2 GLU A 71 68.086 -6.510 -1.305 1.00 1.00 H new ATOM 0 HB3 GLU A 71 66.904 -7.500 -0.472 1.00 1.00 H new ATOM 0 HG2 GLU A 71 65.077 -6.091 -1.121 1.00 1.00 H new ATOM 0 HG3 GLU A 71 66.130 -4.742 -1.498 1.00 1.00 H new ATOM 1058 N ALA A 72 68.980 -7.382 1.199 1.00 1.00 N ATOM 1059 CA ALA A 72 69.688 -8.256 2.175 1.00 1.00 C ATOM 1060 C ALA A 72 70.750 -7.428 2.901 1.00 1.00 C ATOM 1061 O ALA A 72 71.897 -7.816 2.997 1.00 1.00 O ATOM 1062 CB ALA A 72 70.359 -9.414 1.433 1.00 1.00 C ATOM 0 H ALA A 72 69.263 -7.499 0.226 1.00 1.00 H new ATOM 0 HA ALA A 72 68.976 -8.658 2.896 1.00 1.00 H new ATOM 0 HB1 ALA A 72 70.877 -10.053 2.148 1.00 1.00 H new ATOM 0 HB2 ALA A 72 69.602 -9.997 0.907 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.076 -9.018 0.714 1.00 1.00 H new ATOM 1068 N CYS A 73 70.377 -6.283 3.405 1.00 1.00 N ATOM 1069 CA CYS A 73 71.362 -5.421 4.116 1.00 1.00 C ATOM 1070 C CYS A 73 72.121 -6.254 5.152 1.00 1.00 C ATOM 1071 O CYS A 73 73.320 -6.428 5.063 1.00 1.00 O ATOM 1072 CB CYS A 73 70.626 -4.280 4.819 1.00 1.00 C ATOM 1073 SG CYS A 73 71.830 -3.097 5.473 1.00 1.00 S ATOM 0 H CYS A 73 69.430 -5.907 3.354 1.00 1.00 H new ATOM 0 HA CYS A 73 72.069 -5.009 3.396 1.00 1.00 H new ATOM 0 HB2 CYS A 73 69.953 -3.782 4.121 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.011 -4.674 5.628 1.00 1.00 H new ATOM 1078 N ASN A 74 71.434 -6.768 6.135 1.00 1.00 N ATOM 1079 CA ASN A 74 72.119 -7.586 7.176 1.00 1.00 C ATOM 1080 C ASN A 74 72.086 -9.061 6.769 1.00 1.00 C ATOM 1081 O ASN A 74 71.073 -9.722 6.880 1.00 1.00 O ATOM 1082 CB ASN A 74 71.401 -7.412 8.516 1.00 1.00 C ATOM 1083 CG ASN A 74 69.888 -7.434 8.291 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.398 -8.150 7.441 1.00 1.00 O ATOM 1085 ND2 ASN A 74 69.121 -6.673 9.023 1.00 1.00 N ATOM 0 H ASN A 74 70.428 -6.657 6.263 1.00 1.00 H new ATOM 0 HA ASN A 74 73.154 -7.258 7.272 1.00 1.00 H new ATOM 0 HB2 ASN A 74 71.689 -8.209 9.201 1.00 1.00 H new ATOM 0 HB3 ASN A 74 71.697 -6.471 8.980 1.00 1.00 H new ATOM 0 HD21 ASN A 74 68.111 -6.680 8.881 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.532 -6.071 9.737 1.00 1.00 H new ATOM 1092 N HIS A 75 73.186 -9.581 6.299 1.00 1.00 N ATOM 1093 CA HIS A 75 73.216 -11.012 5.886 1.00 1.00 C ATOM 1094 C HIS A 75 74.656 -11.417 5.560 1.00 1.00 C ATOM 1095 O HIS A 75 75.399 -11.850 6.418 1.00 1.00 O ATOM 1096 CB HIS A 75 72.334 -11.202 4.648 1.00 1.00 C ATOM 1097 CG HIS A 75 72.368 -12.644 4.223 1.00 1.00 C ATOM 1098 ND1 HIS A 75 73.552 -13.363 4.142 1.00 1.00 N ATOM 1099 CD2 HIS A 75 71.373 -13.516 3.852 1.00 1.00 C ATOM 1100 CE1 HIS A 75 73.245 -14.608 3.737 1.00 1.00 C ATOM 1101 NE2 HIS A 75 71.932 -14.753 3.546 1.00 1.00 N ATOM 0 H HIS A 75 74.065 -9.077 6.183 1.00 1.00 H new ATOM 0 HA HIS A 75 72.840 -11.636 6.697 1.00 1.00 H new ATOM 0 HB2 HIS A 75 71.310 -10.901 4.869 1.00 1.00 H new ATOM 0 HB3 HIS A 75 72.686 -10.565 3.837 1.00 1.00 H new ATOM 0 HD2 HIS A 75 70.321 -13.278 3.805 1.00 1.00 H new ATOM 0 HE1 HIS A 75 73.971 -15.393 3.585 1.00 1.00 H new ATOM 0 HE2 HIS A 75 71.442 -15.593 3.240 1.00 1.00 H new ATOM 1110 N CYS A 76 75.052 -11.283 4.325 1.00 1.00 N ATOM 1111 CA CYS A 76 76.440 -11.664 3.937 1.00 1.00 C ATOM 1112 C CYS A 76 77.443 -10.974 4.864 1.00 1.00 C ATOM 1113 O CYS A 76 78.562 -11.419 5.022 1.00 1.00 O ATOM 1114 CB CYS A 76 76.702 -11.225 2.497 1.00 1.00 C ATOM 1115 SG CYS A 76 76.803 -9.419 2.426 1.00 1.00 S ATOM 0 H CYS A 76 74.473 -10.925 3.565 1.00 1.00 H new ATOM 0 HA CYS A 76 76.553 -12.745 4.020 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.630 -11.666 2.134 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.904 -11.581 1.846 1.00 1.00 H new ATOM 1120 N GLU A 77 77.061 -9.883 5.471 1.00 1.00 N ATOM 1121 CA GLU A 77 78.007 -9.167 6.375 1.00 1.00 C ATOM 1122 C GLU A 77 78.592 -10.155 7.387 1.00 1.00 C ATOM 1123 O GLU A 77 77.875 -10.847 8.081 1.00 1.00 O ATOM 1124 CB GLU A 77 77.263 -8.049 7.119 1.00 1.00 C ATOM 1125 CG GLU A 77 77.363 -6.749 6.319 1.00 1.00 C ATOM 1126 CD GLU A 77 78.790 -6.203 6.408 1.00 1.00 C ATOM 1127 OE1 GLU A 77 79.082 -5.518 7.374 1.00 1.00 O ATOM 1128 OE2 GLU A 77 79.566 -6.480 5.508 1.00 1.00 O ATOM 0 H GLU A 77 76.138 -9.458 5.381 1.00 1.00 H new ATOM 0 HA GLU A 77 78.813 -8.732 5.784 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.217 -8.323 7.258 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.691 -7.911 8.112 1.00 1.00 H new ATOM 0 HG2 GLU A 77 77.095 -6.929 5.278 1.00 1.00 H new ATOM 0 HG3 GLU A 77 76.657 -6.015 6.707 1.00 1.00 H new ATOM 1135 N LEU A 78 79.892 -10.220 7.479 1.00 1.00 N ATOM 1136 CA LEU A 78 80.523 -11.157 8.448 1.00 1.00 C ATOM 1137 C LEU A 78 80.401 -10.574 9.857 1.00 1.00 C ATOM 1138 O LEU A 78 80.738 -11.215 10.832 1.00 1.00 O ATOM 1139 CB LEU A 78 82.003 -11.346 8.091 1.00 1.00 C ATOM 1140 CG LEU A 78 82.143 -12.477 7.071 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.175 -12.241 5.910 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.578 -12.507 6.539 1.00 1.00 C ATOM 0 H LEU A 78 80.544 -9.664 6.925 1.00 1.00 H new ATOM 0 HA LEU A 78 80.021 -12.124 8.407 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.410 -10.421 7.682 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.577 -11.578 8.988 1.00 1.00 H new ATOM 0 HG LEU A 78 81.911 -13.429 7.549 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.275 -13.047 5.183 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.153 -12.218 6.288 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.407 -11.290 5.431 1.00 1.00 H new ATOM 0 HD21 LEU A 78 83.680 -13.313 5.812 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.809 -11.555 6.061 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.269 -12.675 7.365 1.00 1.00 H new ATOM 1154 N HIS A 79 79.917 -9.364 9.968 1.00 1.00 N ATOM 1155 CA HIS A 79 79.763 -8.735 11.312 1.00 1.00 C ATOM 1156 C HIS A 79 81.131 -8.307 11.852 1.00 1.00 C ATOM 1157 O HIS A 79 81.378 -8.358 13.041 1.00 1.00 O ATOM 1158 CB HIS A 79 79.124 -9.738 12.282 1.00 1.00 C ATOM 1159 CG HIS A 79 78.436 -8.992 13.392 1.00 1.00 C ATOM 1160 ND1 HIS A 79 77.107 -8.603 13.309 1.00 1.00 N ATOM 1161 CD2 HIS A 79 78.879 -8.556 14.617 1.00 1.00 C ATOM 1162 CE1 HIS A 79 76.798 -7.964 14.451 1.00 1.00 C ATOM 1163 NE2 HIS A 79 77.841 -7.908 15.280 1.00 1.00 N ATOM 0 H HIS A 79 79.621 -8.784 9.183 1.00 1.00 H new ATOM 0 HA HIS A 79 79.123 -7.857 11.220 1.00 1.00 H new ATOM 0 HB2 HIS A 79 78.408 -10.366 11.753 1.00 1.00 H new ATOM 0 HB3 HIS A 79 79.887 -10.400 12.692 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.877 -8.694 15.005 1.00 1.00 H new ATOM 0 HE1 HIS A 79 75.826 -7.548 14.670 1.00 1.00 H new ATOM 0 HE2 HIS A 79 77.872 -7.480 16.205 1.00 1.00 H new ATOM 1172 N GLU A 80 82.021 -7.879 10.998 1.00 1.00 N ATOM 1173 CA GLU A 80 83.361 -7.446 11.488 1.00 1.00 C ATOM 1174 C GLU A 80 83.224 -6.092 12.190 1.00 1.00 C ATOM 1175 O GLU A 80 82.892 -6.023 13.356 1.00 1.00 O ATOM 1176 CB GLU A 80 84.330 -7.323 10.308 1.00 1.00 C ATOM 1177 CG GLU A 80 85.743 -7.060 10.834 1.00 1.00 C ATOM 1178 CD GLU A 80 86.666 -6.712 9.665 1.00 1.00 C ATOM 1179 OE1 GLU A 80 86.247 -6.886 8.533 1.00 1.00 O ATOM 1180 OE2 GLU A 80 87.777 -6.279 9.923 1.00 1.00 O ATOM 0 H GLU A 80 81.880 -7.811 9.990 1.00 1.00 H new ATOM 0 HA GLU A 80 83.750 -8.184 12.189 1.00 1.00 H new ATOM 0 HB2 GLU A 80 84.316 -8.237 9.715 1.00 1.00 H new ATOM 0 HB3 GLU A 80 84.018 -6.511 9.651 1.00 1.00 H new ATOM 0 HG2 GLU A 80 85.728 -6.243 11.555 1.00 1.00 H new ATOM 0 HG3 GLU A 80 86.117 -7.940 11.357 1.00 1.00 H new ATOM 1187 N LEU A 81 83.463 -5.014 11.490 1.00 1.00 N ATOM 1188 CA LEU A 81 83.330 -3.670 12.123 1.00 1.00 C ATOM 1189 C LEU A 81 81.915 -3.147 11.875 1.00 1.00 C ATOM 1190 O LEU A 81 81.614 -1.994 12.114 1.00 1.00 O ATOM 1191 CB LEU A 81 84.352 -2.701 11.514 1.00 1.00 C ATOM 1192 CG LEU A 81 84.234 -2.715 9.989 1.00 1.00 C ATOM 1193 CD1 LEU A 81 84.482 -1.307 9.444 1.00 1.00 C ATOM 1194 CD2 LEU A 81 85.273 -3.676 9.407 1.00 1.00 C ATOM 0 H LEU A 81 83.744 -5.007 10.509 1.00 1.00 H new ATOM 0 HA LEU A 81 83.516 -3.749 13.194 1.00 1.00 H new ATOM 0 HB2 LEU A 81 84.181 -1.693 11.892 1.00 1.00 H new ATOM 0 HB3 LEU A 81 85.361 -2.987 11.813 1.00 1.00 H new ATOM 0 HG LEU A 81 83.234 -3.043 9.705 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.398 -1.317 8.357 1.00 1.00 H new ATOM 0 HD12 LEU A 81 83.743 -0.621 9.859 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.482 -0.978 9.727 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.190 -3.687 8.320 1.00 1.00 H new ATOM 0 HD22 LEU A 81 86.272 -3.347 9.691 1.00 1.00 H new ATOM 0 HD23 LEU A 81 85.098 -4.680 9.794 1.00 1.00 H new ATOM 1206 N ALA A 82 81.048 -3.992 11.390 1.00 1.00 N ATOM 1207 CA ALA A 82 79.651 -3.559 11.114 1.00 1.00 C ATOM 1208 C ALA A 82 78.935 -3.258 12.432 1.00 1.00 C ATOM 1209 O ALA A 82 79.454 -2.568 13.287 1.00 1.00 O ATOM 1210 CB ALA A 82 78.912 -4.677 10.374 1.00 1.00 C ATOM 0 H ALA A 82 81.249 -4.968 11.172 1.00 1.00 H new ATOM 0 HA ALA A 82 79.664 -2.659 10.499 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.888 -4.363 10.170 1.00 1.00 H new ATOM 0 HB2 ALA A 82 79.421 -4.889 9.434 1.00 1.00 H new ATOM 0 HB3 ALA A 82 78.900 -5.576 10.991 1.00 1.00 H new ATOM 1216 N GLN A 83 77.747 -3.768 12.599 1.00 1.00 N ATOM 1217 CA GLN A 83 76.993 -3.513 13.858 1.00 1.00 C ATOM 1218 C GLN A 83 76.851 -2.004 14.077 1.00 1.00 C ATOM 1219 O GLN A 83 77.651 -1.388 14.754 1.00 1.00 O ATOM 1220 CB GLN A 83 77.744 -4.138 15.040 1.00 1.00 C ATOM 1221 CG GLN A 83 76.894 -4.024 16.307 1.00 1.00 C ATOM 1222 CD GLN A 83 77.135 -2.663 16.963 1.00 1.00 C ATOM 1223 OE1 GLN A 83 78.207 -2.103 16.852 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.174 -2.103 17.646 1.00 1.00 N ATOM 0 H GLN A 83 77.264 -4.352 11.916 1.00 1.00 H new ATOM 0 HA GLN A 83 76.001 -3.959 13.783 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.965 -5.185 14.831 1.00 1.00 H new ATOM 0 HB3 GLN A 83 78.699 -3.634 15.184 1.00 1.00 H new ATOM 0 HG2 GLN A 83 75.838 -4.139 16.061 1.00 1.00 H new ATOM 0 HG3 GLN A 83 77.149 -4.825 17.002 1.00 1.00 H new ATOM 0 HE21 GLN A 83 75.274 -2.573 17.739 1.00 1.00 H new ATOM 0 HE22 GLN A 83 76.323 -1.195 18.086 1.00 1.00 H new ATOM 1233 N TYR A 84 75.839 -1.401 13.510 1.00 1.00 N ATOM 1234 CA TYR A 84 75.650 0.066 13.693 1.00 1.00 C ATOM 1235 C TYR A 84 76.944 0.792 13.320 1.00 1.00 C ATOM 1236 O TYR A 84 77.154 1.934 13.680 1.00 1.00 O ATOM 1237 CB TYR A 84 75.300 0.359 15.158 1.00 1.00 C ATOM 1238 CG TYR A 84 73.799 0.373 15.325 1.00 1.00 C ATOM 1239 CD1 TYR A 84 73.088 -0.832 15.367 1.00 1.00 C ATOM 1240 CD2 TYR A 84 73.119 1.592 15.437 1.00 1.00 C ATOM 1241 CE1 TYR A 84 71.697 -0.818 15.521 1.00 1.00 C ATOM 1242 CE2 TYR A 84 71.728 1.605 15.592 1.00 1.00 C ATOM 1243 CZ TYR A 84 71.017 0.400 15.634 1.00 1.00 C ATOM 1244 OH TYR A 84 69.645 0.414 15.786 1.00 1.00 O ATOM 0 H TYR A 84 75.137 -1.861 12.930 1.00 1.00 H new ATOM 0 HA TYR A 84 74.839 0.413 13.053 1.00 1.00 H new ATOM 0 HB2 TYR A 84 75.742 -0.398 15.807 1.00 1.00 H new ATOM 0 HB3 TYR A 84 75.719 1.320 15.458 1.00 1.00 H new ATOM 0 HD1 TYR A 84 73.613 -1.772 15.281 1.00 1.00 H new ATOM 0 HD2 TYR A 84 73.668 2.522 15.404 1.00 1.00 H new ATOM 0 HE1 TYR A 84 71.148 -1.748 15.553 1.00 1.00 H new ATOM 0 HE2 TYR A 84 71.203 2.545 15.679 1.00 1.00 H new ATOM 0 HH TYR A 84 69.332 1.341 15.850 1.00 1.00 H new ATOM 1254 N GLY A 85 77.803 0.138 12.589 1.00 1.00 N ATOM 1255 CA GLY A 85 79.085 0.773 12.166 1.00 1.00 C ATOM 1256 C GLY A 85 79.182 0.661 10.652 1.00 1.00 C ATOM 1257 O GLY A 85 80.237 0.425 10.097 1.00 1.00 O ATOM 0 H GLY A 85 77.671 -0.819 12.263 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.114 1.818 12.474 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.932 0.277 12.641 1.00 1.00 H new ATOM 1261 N ILE A 86 78.069 0.811 9.986 1.00 1.00 N ATOM 1262 CA ILE A 86 78.056 0.695 8.505 1.00 1.00 C ATOM 1263 C ILE A 86 78.541 -0.706 8.125 1.00 1.00 C ATOM 1264 O ILE A 86 79.476 -1.228 8.697 1.00 1.00 O ATOM 1265 CB ILE A 86 78.964 1.767 7.888 1.00 1.00 C ATOM 1266 CG1 ILE A 86 78.512 3.150 8.362 1.00 1.00 C ATOM 1267 CG2 ILE A 86 78.873 1.698 6.362 1.00 1.00 C ATOM 1268 CD1 ILE A 86 79.339 4.227 7.657 1.00 1.00 C ATOM 0 H ILE A 86 77.163 1.010 10.410 1.00 1.00 H new ATOM 0 HA ILE A 86 77.046 0.848 8.124 1.00 1.00 H new ATOM 0 HB ILE A 86 79.994 1.593 8.199 1.00 1.00 H new ATOM 0 HG12 ILE A 86 77.453 3.291 8.147 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.632 3.233 9.442 1.00 1.00 H new ATOM 0 HG21 ILE A 86 79.518 2.460 5.924 1.00 1.00 H new ATOM 0 HG22 ILE A 86 79.193 0.713 6.023 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.843 1.872 6.051 1.00 1.00 H new ATOM 0 HD11 ILE A 86 79.017 5.212 7.995 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.394 4.089 7.894 1.00 1.00 H new ATOM 0 HD13 ILE A 86 79.196 4.148 6.579 1.00 1.00 H new ATOM 1280 N CYS A 87 77.900 -1.327 7.179 1.00 1.00 N ATOM 1281 CA CYS A 87 78.310 -2.703 6.781 1.00 1.00 C ATOM 1282 C CYS A 87 79.813 -2.718 6.489 1.00 1.00 C ATOM 1283 CB CYS A 87 77.532 -3.116 5.525 1.00 1.00 C ATOM 1284 SG CYS A 87 78.616 -4.056 4.422 1.00 1.00 S ATOM 0 H CYS A 87 77.109 -0.943 6.662 1.00 1.00 H new ATOM 0 HA CYS A 87 78.093 -3.403 7.588 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.667 -3.719 5.802 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.153 -2.232 5.012 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 57.258 1.830 -3.455 1.00 1.00 C HETATM 1291 O1G RCY A 110 57.600 3.618 -2.213 1.00 1.00 O HETATM 1292 O1H RCY A 110 54.760 1.759 1.070 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.872 -0.793 -2.109 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.458 3.872 0.217 1.00 1.00 C HETATM 1295 C1M RCY A 110 54.322 0.564 -1.592 1.00 1.00 C HETATM 1296 C1P RCY A 110 57.028 3.346 -1.159 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.452 2.544 0.423 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.801 2.441 -1.057 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.117 3.800 0.955 1.00 1.00 C HETATM 1300 C1U RCY A 110 55.097 1.635 -2.150 1.00 1.00 C HETATM 1301 C1V RCY A 110 55.372 0.382 -4.333 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.536 -0.211 -2.196 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.289 -0.613 -1.411 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.075 0.932 -3.090 1.00 1.00 C HETATM 1305 C1Y RCY A 110 54.686 -1.898 -1.985 1.00 1.00 C HETATM 1306 C1Z RCY A 110 55.663 -0.804 0.059 1.00 1.00 C HETATM 0 H1ZB RCY A 110 56.144 0.100 0.432 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 54.763 -1.003 0.641 1.00 1.00 H new HETATM 0 H1YB RCY A 110 53.753 -2.125 -1.468 1.00 1.00 H new HETATM 0 H1YA RCY A 110 54.488 -1.764 -3.048 1.00 1.00 H new HETATM 0 H1VB RCY A 110 54.999 1.210 -4.936 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.078 -0.205 -4.920 1.00 1.00 H new HETATM 0 H1MA RCY A 110 53.882 0.857 -0.639 1.00 1.00 H new HETATM 0 H1LA RCY A 110 58.224 3.250 0.681 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.893 2.729 -3.952 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.796 2.109 -2.549 1.00 1.00 H new HETATM 0 H1Z RCY A 110 56.349 -1.646 0.153 1.00 1.00 H new HETATM 0 H1Y RCY A 110 55.386 -2.722 -1.847 1.00 1.00 H new HETATM 0 H1V RCY A 110 54.538 -0.251 -4.029 1.00 1.00 H new HETATM 0 H1U RCY A 110 54.491 2.371 -2.678 1.00 1.00 H new HETATM 0 H1S RCY A 110 55.509 4.683 0.759 1.00 1.00 H new HETATM 0 H1M RCY A 110 53.499 0.294 -2.253 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.855 4.886 0.171 1.00 1.00 H new HETATM 0 H1C RCY A 110 57.930 1.293 -4.125 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.177 9.765 4.351 1.00 1.00 C HETATM 1310 O1G RCY A 121 70.858 10.592 6.708 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.623 11.360 8.652 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.973 11.763 2.107 1.00 1.00 O HETATM 1313 C1L RCY A 121 69.946 10.202 8.945 1.00 1.00 C HETATM 1314 C1M RCY A 121 68.385 13.233 5.625 1.00 1.00 C HETATM 1315 C1P RCY A 121 69.915 10.691 7.492 1.00 1.00 C HETATM 1316 C1Q RCY A 121 67.838 11.281 8.476 1.00 1.00 C HETATM 1317 N1R RCY A 121 68.566 11.316 7.138 1.00 1.00 N HETATM 1318 C1S RCY A 121 68.892 11.131 9.557 1.00 1.00 C HETATM 1319 C1U RCY A 121 68.066 11.844 5.792 1.00 1.00 C HETATM 1320 C1V RCY A 121 70.264 11.150 4.744 1.00 1.00 C HETATM 1321 N1V RCY A 121 68.326 12.109 3.481 1.00 1.00 N HETATM 1322 C1W RCY A 121 68.360 13.499 4.114 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.741 11.165 4.601 1.00 1.00 C HETATM 1324 C1Y RCY A 121 69.620 14.254 3.680 1.00 1.00 C HETATM 1325 C1Z RCY A 121 67.103 14.267 3.706 1.00 1.00 C HETATM 0 H1ZB RCY A 121 66.220 13.686 3.970 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 67.076 15.224 4.227 1.00 1.00 H new HETATM 0 H1YB RCY A 121 69.672 15.207 4.206 1.00 1.00 H new HETATM 0 H1YA RCY A 121 70.501 13.659 3.919 1.00 1.00 H new HETATM 0 H1VB RCY A 121 70.544 10.515 5.584 1.00 1.00 H new HETATM 0 H1VA RCY A 121 70.711 10.761 3.830 1.00 1.00 H new HETATM 0 H1MA RCY A 121 67.662 13.863 6.143 1.00 1.00 H new HETATM 0 H1LA RCY A 121 69.678 9.149 9.037 1.00 1.00 H new HETATM 0 H1CB RCY A 121 68.337 9.146 5.234 1.00 1.00 H new HETATM 0 H1CA RCY A 121 67.109 9.834 4.145 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.115 14.440 2.630 1.00 1.00 H new HETATM 0 H1Y RCY A 121 69.585 14.434 2.605 1.00 1.00 H new HETATM 0 H1V RCY A 121 70.623 12.164 4.920 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.993 11.651 5.809 1.00 1.00 H new HETATM 0 H1S RCY A 121 69.323 12.095 9.827 1.00 1.00 H new HETATM 0 H1M RCY A 121 69.365 13.461 6.044 1.00 1.00 H new HETATM 0 H1L RCY A 121 70.927 10.323 9.405 1.00 1.00 H new HETATM 0 H1C RCY A 121 68.683 9.316 3.496 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.276 11.119 0.653 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.534 8.980 0.758 1.00 1.00 O HETATM 1330 O1H RCY A 130 78.901 12.277 3.172 1.00 1.00 O HETATM 1331 O1J RCY A 130 72.513 13.037 2.163 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.915 9.487 1.008 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.019 12.487 3.616 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.412 9.703 1.226 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.541 11.498 2.291 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.141 10.930 2.096 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.416 10.923 1.192 1.00 1.00 C HETATM 1338 C1U RCY A 130 75.811 11.459 2.637 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.770 13.164 0.766 1.00 1.00 C HETATM 1340 N1V RCY A 130 73.934 12.842 2.438 1.00 1.00 N HETATM 1341 C1W RCY A 130 74.719 13.299 3.666 1.00 1.00 C HETATM 1342 C1X RCY A 130 74.963 12.139 1.564 1.00 1.00 C HETATM 1343 C1Y RCY A 130 75.017 14.799 3.584 1.00 1.00 C HETATM 1344 C1Z RCY A 130 73.911 12.979 4.924 1.00 1.00 C HETATM 0 H1ZB RCY A 130 73.658 11.919 4.934 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 74.503 13.219 5.807 1.00 1.00 H new HETATM 0 H1YB RCY A 130 75.648 15.091 4.423 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.533 15.017 2.649 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.539 12.651 0.188 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.106 13.703 0.090 1.00 1.00 H new HETATM 0 H1MA RCY A 130 76.246 12.056 4.591 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.347 8.798 1.734 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.030 10.508 0.157 1.00 1.00 H new HETATM 0 H1CA RCY A 130 73.625 10.479 1.249 1.00 1.00 H new HETATM 0 H1Z RCY A 130 72.996 13.571 4.929 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.082 15.358 3.621 1.00 1.00 H new HETATM 0 H1V RCY A 130 76.241 13.869 1.451 1.00 1.00 H new HETATM 0 H1U RCY A 130 75.315 10.577 3.041 1.00 1.00 H new HETATM 0 H1S RCY A 130 79.322 11.497 0.270 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.863 13.120 3.343 1.00 1.00 H new HETATM 0 H1L RCY A 130 79.140 9.090 0.018 1.00 1.00 H new HETATM 0 H1C RCY A 130 73.683 11.642 -0.097 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.811 -0.873 -1.256 1.00 1.00 C HETATM 1348 O1G RCY A 138 86.525 3.724 0.598 1.00 1.00 O HETATM 1349 O1H RCY A 138 88.649 0.735 -2.378 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.670 -2.142 1.225 1.00 1.00 O HETATM 1351 C1L RCY A 138 87.767 4.036 -1.486 1.00 1.00 C HETATM 1352 C1M RCY A 138 86.809 0.993 1.780 1.00 1.00 C HETATM 1353 C1P RCY A 138 87.175 3.232 -0.322 1.00 1.00 C HETATM 1354 C1Q RCY A 138 88.397 1.713 -1.675 1.00 1.00 C HETATM 1355 N1R RCY A 138 87.494 1.743 -0.449 1.00 1.00 N HETATM 1356 C1S RCY A 138 88.933 3.119 -1.873 1.00 1.00 C HETATM 1357 C1U RCY A 138 87.031 0.575 0.425 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.635 1.107 -0.197 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.341 -0.845 1.204 1.00 1.00 N HETATM 1360 C1W RCY A 138 85.859 -0.042 2.395 1.00 1.00 C HETATM 1361 C1X RCY A 138 85.682 0.007 -0.011 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.700 0.654 3.116 1.00 1.00 C HETATM 1363 C1Z RCY A 138 86.600 -0.980 3.348 1.00 1.00 C HETATM 0 H1ZB RCY A 138 87.382 -1.509 2.803 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 87.048 -0.400 4.154 1.00 1.00 H new HETATM 0 H1YB RCY A 138 85.094 1.288 3.910 1.00 1.00 H new HETATM 0 H1YA RCY A 138 84.144 1.266 2.405 1.00 1.00 H new HETATM 0 H1VB RCY A 138 84.920 1.742 -1.036 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.664 0.655 -0.397 1.00 1.00 H new HETATM 0 H1MA RCY A 138 87.747 1.037 2.333 1.00 1.00 H new HETATM 0 H1LA RCY A 138 87.057 4.175 -2.301 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.215 -0.283 -2.078 1.00 1.00 H new HETATM 0 H1CA RCY A 138 86.481 -1.707 -1.044 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.899 -1.701 3.767 1.00 1.00 H new HETATM 0 H1Y RCY A 138 84.036 -0.096 3.546 1.00 1.00 H new HETATM 0 H1V RCY A 138 84.575 1.709 0.710 1.00 1.00 H new HETATM 0 H1U RCY A 138 87.827 -0.164 0.330 1.00 1.00 H new HETATM 0 H1S RCY A 138 89.806 3.302 -1.247 1.00 1.00 H new HETATM 0 H1M RCY A 138 86.372 1.991 1.813 1.00 1.00 H new HETATM 0 H1L RCY A 138 88.100 5.028 -1.181 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.829 -1.257 -1.533 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.352 -2.156 -4.921 1.00 1.00 C HETATM 1367 O1G RCY A 150 79.837 -2.977 -8.262 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.340 -5.989 -5.623 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.750 -0.169 -6.519 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.434 -4.750 -8.803 1.00 1.00 C HETATM 1371 C1M RCY A 150 78.858 -3.295 -5.356 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.620 -3.842 -7.872 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.004 -5.193 -6.499 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.903 -4.145 -6.402 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.616 -5.076 -7.883 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.254 -3.555 -5.148 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.387 -1.758 -3.369 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.173 -1.316 -5.825 1.00 1.00 N HETATM 1379 C1W RCY A 150 78.774 -1.905 -5.998 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.830 -2.192 -4.768 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.736 -1.040 -5.277 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.452 -2.000 -7.490 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.233 -2.568 -7.995 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 77.494 -2.502 -7.624 1.00 1.00 H new HETATM 0 H1YB RCY A 150 76.758 -1.517 -5.340 1.00 1.00 H new HETATM 0 H1YA RCY A 150 78.019 -0.929 -4.230 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.820 -2.427 -2.626 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.725 -0.739 -3.180 1.00 1.00 H new HETATM 0 H1MA RCY A 150 78.413 -4.051 -6.004 1.00 1.00 H new HETATM 0 H1LA RCY A 150 80.882 -5.640 -9.105 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.801 -2.909 -4.274 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.618 -2.363 -5.957 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.399 -0.998 -7.915 1.00 1.00 H new HETATM 0 H1Y RCY A 150 77.691 -0.058 -5.747 1.00 1.00 H new HETATM 0 H1V RCY A 150 79.300 -1.798 -3.303 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.440 -4.299 -4.374 1.00 1.00 H new HETATM 0 H1S RCY A 150 83.373 -4.292 -7.917 1.00 1.00 H new HETATM 0 H1M RCY A 150 78.312 -3.322 -4.413 1.00 1.00 H new HETATM 0 H1L RCY A 150 81.744 -4.242 -9.716 1.00 1.00 H new HETATM 0 H1C RCY A 150 82.723 -1.170 -4.641 1.00 1.00 H new HETATM 1385 C1C RCY A 160 64.238 8.518 -4.880 1.00 1.00 C HETATM 1386 O1G RCY A 160 65.677 4.382 -2.649 1.00 1.00 O HETATM 1387 O1H RCY A 160 65.242 5.904 -7.098 1.00 1.00 O HETATM 1388 O1J RCY A 160 61.894 9.174 -3.107 1.00 1.00 O HETATM 1389 C1L RCY A 160 67.020 4.058 -4.669 1.00 1.00 C HETATM 1390 C1M RCY A 160 62.906 5.478 -3.244 1.00 1.00 C HETATM 1391 C1P RCY A 160 65.828 4.578 -3.854 1.00 1.00 C HETATM 1392 C1Q RCY A 160 65.457 5.199 -6.114 1.00 1.00 C HETATM 1393 N1R RCY A 160 64.853 5.368 -4.725 1.00 1.00 N HETATM 1394 C1S RCY A 160 66.378 3.994 -6.059 1.00 1.00 C HETATM 1395 C1U RCY A 160 63.593 6.135 -4.319 1.00 1.00 C HETATM 1396 C1V RCY A 160 64.984 7.484 -2.689 1.00 1.00 C HETATM 1397 N1V RCY A 160 62.552 7.871 -3.145 1.00 1.00 N HETATM 1398 C1W RCY A 160 62.042 6.551 -2.570 1.00 1.00 C HETATM 1399 C1X RCY A 160 63.898 7.526 -3.766 1.00 1.00 C HETATM 1400 C1Y RCY A 160 62.233 6.520 -1.051 1.00 1.00 C HETATM 1401 C1Z RCY A 160 60.567 6.384 -2.932 1.00 1.00 C HETATM 0 H1ZB RCY A 160 60.445 6.469 -4.012 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 60.221 5.404 -2.604 1.00 1.00 H new HETATM 0 H1YB RCY A 160 61.944 5.542 -0.668 1.00 1.00 H new HETATM 0 H1YA RCY A 160 63.280 6.708 -0.812 1.00 1.00 H new HETATM 0 H1VB RCY A 160 65.930 7.182 -3.138 1.00 1.00 H new HETATM 0 H1VA RCY A 160 65.093 8.473 -2.244 1.00 1.00 H new HETATM 0 H1MA RCY A 160 62.290 4.660 -3.618 1.00 1.00 H new HETATM 0 H1LA RCY A 160 67.875 4.733 -4.635 1.00 1.00 H new HETATM 0 H1CB RCY A 160 65.114 8.167 -5.425 1.00 1.00 H new HETATM 0 H1CA RCY A 160 63.394 8.600 -5.565 1.00 1.00 H new HETATM 0 H1Z RCY A 160 59.981 7.160 -2.439 1.00 1.00 H new HETATM 0 H1Y RCY A 160 61.612 7.288 -0.590 1.00 1.00 H new HETATM 0 H1V RCY A 160 64.703 6.767 -1.917 1.00 1.00 H new HETATM 0 H1U RCY A 160 63.004 6.188 -5.234 1.00 1.00 H new HETATM 0 H1S RCY A 160 65.824 3.066 -6.197 1.00 1.00 H new HETATM 0 H1M RCY A 160 63.613 5.046 -2.536 1.00 1.00 H new HETATM 0 H1L RCY A 160 67.368 3.084 -4.325 1.00 1.00 H new HETATM 0 H1C RCY A 160 64.448 9.495 -4.445 1.00 1.00 H new HETATM 1404 C1C RCY A 168 66.144 0.829 -6.911 1.00 1.00 C HETATM 1405 O1G RCY A 168 69.899 1.075 -9.260 1.00 1.00 O HETATM 1406 O1H RCY A 168 68.884 -2.621 -6.501 1.00 1.00 O HETATM 1407 O1J RCY A 168 63.672 -0.403 -8.111 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.222 -0.257 -7.691 1.00 1.00 C HETATM 1409 C1M RCY A 168 67.012 -1.906 -9.247 1.00 1.00 C HETATM 1410 C1P RCY A 168 69.948 0.164 -8.435 1.00 1.00 C HETATM 1411 C1Q RCY A 168 69.339 -1.558 -6.921 1.00 1.00 C HETATM 1412 N1R RCY A 168 68.749 -0.688 -8.023 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.600 -0.868 -6.431 1.00 1.00 C HETATM 1414 C1U RCY A 168 67.320 -0.679 -8.570 1.00 1.00 C HETATM 1415 C1V RCY A 168 66.508 -1.620 -6.364 1.00 1.00 C HETATM 1416 N1V RCY A 168 65.016 -0.953 -8.262 1.00 1.00 N HETATM 1417 C1W RCY A 168 65.483 -2.021 -9.249 1.00 1.00 C HETATM 1418 C1X RCY A 168 66.264 -0.590 -7.469 1.00 1.00 C HETATM 1419 C1Y RCY A 168 65.047 -3.411 -8.780 1.00 1.00 C HETATM 1420 C1Z RCY A 168 64.904 -1.712 -10.630 1.00 1.00 C HETATM 0 H1ZB RCY A 168 65.175 -0.697 -10.919 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 65.305 -2.416 -11.359 1.00 1.00 H new HETATM 0 H1YB RCY A 168 65.459 -4.167 -9.449 1.00 1.00 H new HETATM 0 H1YA RCY A 168 65.413 -3.585 -7.768 1.00 1.00 H new HETATM 0 H1MA RCY A 168 67.403 -1.898 -10.264 1.00 1.00 H new HETATM 0 H1CB RCY A 168 67.102 1.137 -6.492 1.00 1.00 H new HETATM 0 H1CA RCY A 168 65.861 1.512 -7.712 1.00 1.00 H new HETATM 0 H1Z RCY A 168 63.818 -1.802 -10.598 1.00 1.00 H new HETATM 0 H1Y RCY A 168 63.959 -3.473 -8.788 1.00 1.00 H new HETATM 0 H1U RCY A 168 67.289 0.191 -9.227 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.370 -0.102 -5.691 1.00 1.00 H new HETATM 0 H1M RCY A 168 67.466 -2.756 -8.738 1.00 1.00 H new HETATM 0 H1C RCY A 168 65.383 0.850 -6.131 1.00 1.00 H new HETATM 1423 C1C RCY A 173 67.270 -1.701 7.510 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.534 -1.361 10.300 1.00 1.00 O HETATM 1425 O1H RCY A 173 69.412 -1.426 6.081 1.00 1.00 O HETATM 1426 O1J RCY A 173 67.054 -3.545 9.881 1.00 1.00 O HETATM 1427 C1L RCY A 173 72.173 -2.265 8.117 1.00 1.00 C HETATM 1428 C1M RCY A 173 68.891 -0.235 10.496 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.246 -1.568 9.122 1.00 1.00 C HETATM 1430 C1Q RCY A 173 70.054 -1.752 7.079 1.00 1.00 C HETATM 1431 N1R RCY A 173 69.920 -1.164 8.478 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.130 -2.820 7.141 1.00 1.00 C HETATM 1433 C1U RCY A 173 68.754 -0.374 9.075 1.00 1.00 C HETATM 1434 C1V RCY A 173 66.236 -0.156 9.233 1.00 1.00 C HETATM 1435 N1V RCY A 173 67.538 -2.170 9.956 1.00 1.00 N HETATM 1436 C1W RCY A 173 68.285 -1.504 11.110 1.00 1.00 C HETATM 1437 C1X RCY A 173 67.410 -1.080 8.901 1.00 1.00 C HETATM 1438 C1Y RCY A 173 67.315 -1.145 12.239 1.00 1.00 C HETATM 1439 C1Z RCY A 173 69.373 -2.451 11.614 1.00 1.00 C HETATM 0 H1ZB RCY A 173 70.016 -2.741 10.783 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 69.969 -1.948 12.376 1.00 1.00 H new HETATM 0 H1YB RCY A 173 67.848 -0.596 13.016 1.00 1.00 H new HETATM 0 H1YA RCY A 173 66.510 -0.525 11.844 1.00 1.00 H new HETATM 0 H1VB RCY A 173 66.190 0.651 8.502 1.00 1.00 H new HETATM 0 H1VA RCY A 173 65.306 -0.724 9.205 1.00 1.00 H new HETATM 0 H1MA RCY A 173 69.939 -0.128 10.778 1.00 1.00 H new HETATM 0 H1LA RCY A 173 72.866 -1.573 7.639 1.00 1.00 H new HETATM 0 H1CB RCY A 173 67.346 -0.920 6.754 1.00 1.00 H new HETATM 0 H1CA RCY A 173 68.063 -2.433 7.357 1.00 1.00 H new HETATM 0 H1Z RCY A 173 68.911 -3.340 12.043 1.00 1.00 H new HETATM 0 H1Y RCY A 173 66.895 -2.058 12.662 1.00 1.00 H new HETATM 0 H1V RCY A 173 66.374 0.264 10.229 1.00 1.00 H new HETATM 0 H1U RCY A 173 68.778 0.580 8.548 1.00 1.00 H new HETATM 0 H1S RCY A 173 70.726 -3.770 7.491 1.00 1.00 H new HETATM 0 H1M RCY A 173 68.373 0.655 10.852 1.00 1.00 H new HETATM 0 H1L RCY A 173 72.773 -3.050 8.577 1.00 1.00 H new HETATM 0 H1C RCY A 173 66.301 -2.193 7.427 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.907 -10.162 -2.693 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.353 -8.972 -2.012 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.001 -11.372 0.292 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.255 -8.111 -4.438 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.532 -8.909 0.292 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.338 -11.217 -3.592 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.559 -9.382 -1.167 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.733 -10.469 -0.111 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.477 -10.426 -1.440 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.063 -9.186 0.630 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.203 -11.228 -2.714 1.00 1.00 C HETATM 1453 C1V RCY A 176 75.624 -11.594 -4.659 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.799 -9.438 -4.166 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.219 -9.936 -4.427 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.078 -10.633 -3.558 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.413 -10.244 -5.915 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.216 -8.875 -3.962 1.00 1.00 C HETATM 0 H1ZB RCY A 176 79.023 -8.627 -2.918 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 80.231 -9.261 -4.062 1.00 1.00 H new HETATM 0 H1YB RCY A 176 79.401 -10.677 -6.071 1.00 1.00 H new HETATM 0 H1YA RCY A 176 77.651 -10.951 -6.243 1.00 1.00 H new HETATM 0 H1VB RCY A 176 75.159 -12.471 -4.208 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.903 -11.093 -5.305 1.00 1.00 H new HETATM 0 H1MA RCY A 176 79.269 -11.227 -3.025 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.219 -9.470 0.925 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.505 -11.007 -2.134 1.00 1.00 H new HETATM 0 H1CA RCY A 176 75.253 -9.398 -1.997 1.00 1.00 H new HETATM 0 H1Z RCY A 176 79.106 -7.980 -4.574 1.00 1.00 H new HETATM 0 H1Y RCY A 176 78.325 -9.323 -6.492 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.486 -11.904 -5.250 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.950 -12.226 -2.355 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.421 -8.366 0.308 1.00 1.00 H new HETATM 0 H1M RCY A 176 78.344 -12.100 -4.232 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.792 -7.856 0.394 1.00 1.00 H new HETATM 0 H1C RCY A 176 74.128 -9.745 -3.331 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.803 0.895 0.588 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.014 -2.866 0.154 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.973 -1.142 4.090 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.412 3.557 0.803 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.091 -3.913 2.086 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.476 0.542 2.169 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.605 -2.739 1.225 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.754 -1.817 3.085 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.945 -1.394 1.865 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.244 -3.231 2.831 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.574 0.018 1.408 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.248 0.954 3.061 1.00 1.00 C HETATM 1473 N1V RCY A 187 76.933 2.331 1.434 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.556 2.068 2.039 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.697 1.029 1.636 1.00 1.00 C HETATM 1476 C1Y RCY A 187 75.439 2.733 3.414 1.00 1.00 C HETATM 1477 C1Z RCY A 187 74.482 2.601 1.090 1.00 1.00 C HETATM 0 H1ZB RCY A 187 74.619 2.161 0.102 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 73.496 2.337 1.472 1.00 1.00 H new HETATM 0 H1YB RCY A 187 74.484 2.467 3.867 1.00 1.00 H new HETATM 0 H1YA RCY A 187 76.252 2.390 4.054 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.744 -0.005 3.209 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.965 1.760 3.217 1.00 1.00 H new HETATM 0 H1MA RCY A 187 74.525 0.168 1.789 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.319 -4.284 2.761 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.230 -0.107 0.636 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.386 1.065 -0.405 1.00 1.00 H new HETATM 0 H1Z RCY A 187 74.565 3.686 1.019 1.00 1.00 H new HETATM 0 H1Y RCY A 187 75.498 3.816 3.301 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.429 1.054 3.773 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.344 -0.094 0.348 1.00 1.00 H new HETATM 0 H1S RCY A 187 79.157 -3.233 2.235 1.00 1.00 H new HETATM 0 H1M RCY A 187 75.545 0.236 3.213 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.424 -4.760 1.487 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.582 1.631 0.785 1.00 1.00 H new