USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=19 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 10 CYS H : A 10 CYS N : A 110 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 9 GLU CB :(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 RCYH1ZB : A 168 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 176 RCY C1V :(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 RCYH1MA : A 168 RCY C1M : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 69 PRO N :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 168 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 168 RCY O1G :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY O1H :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 3:sc= 1.58 USER MOD Set 1.2: A 65 THR OG1 : rot -16:sc= 1.12 USER MOD Set 2.1: A 31 LYS NZ :NH3+ 178:sc= 0.659 (180deg=-0.33) USER MOD Set 2.2: A 32 GLN : amide:sc= -9.19! C(o=-8.5!,f=-14!) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 141:sc= -2.21 (180deg=-1.15!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -98:sc= -3.63! (180deg=-1.89!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.343 (180deg=-2.02!) USER MOD Single : A 2 ASN : amide:sc= -3.91! C(o=-3.9!,f=-4.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.19 USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.359 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc=-0.000862 (180deg=-0.13) USER MOD Single : A 40 SER OG : rot -66:sc= 0.849 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.0255 (180deg=-0.28) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= -2.31 (180deg=-2.44) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -147:sc= -5.25! (180deg=-7.19!) USER MOD Single : A 74 ASN :FLIP amide:sc= -5.35! C(o=-6!,f=-5.4!) USER MOD Single : A 75 HIS : no HE2:sc= -35.3! C(o=-35!,f=-36!) USER MOD Single : A 79 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.96) USER MOD Single : A 83 GLN :FLIP amide:sc= -3.59! C(o=-4.8!,f=-3.6!) USER MOD Single : A 84 TYR OH : rot 159:sc= 0.927 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 59.837 5.495 -16.273 1.00 1.00 N ATOM 2 CA MET A 1 59.687 5.292 -17.741 1.00 1.00 C ATOM 3 C MET A 1 60.375 3.987 -18.149 1.00 1.00 C ATOM 4 O MET A 1 61.285 3.524 -17.490 1.00 1.00 O ATOM 5 CB MET A 1 60.329 6.465 -18.487 1.00 1.00 C ATOM 6 CG MET A 1 61.650 6.839 -17.811 1.00 1.00 C ATOM 7 SD MET A 1 61.311 7.816 -16.326 1.00 1.00 S ATOM 8 CE MET A 1 62.669 8.997 -16.517 1.00 1.00 C ATOM 0 H1 MET A 1 59.872 6.513 -16.065 1.00 1.00 H new ATOM 0 H2 MET A 1 59.027 5.068 -15.779 1.00 1.00 H new ATOM 0 H3 MET A 1 60.717 5.045 -15.948 1.00 1.00 H new ATOM 0 HA MET A 1 58.628 5.238 -17.994 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.505 6.195 -19.528 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.654 7.321 -18.489 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.204 5.938 -17.548 1.00 1.00 H new ATOM 0 HG3 MET A 1 62.275 7.408 -18.499 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.651 9.709 -15.692 1.00 1.00 H new ATOM 0 HE2 MET A 1 63.619 8.463 -16.514 1.00 1.00 H new ATOM 0 HE3 MET A 1 62.556 9.532 -17.460 1.00 1.00 H new ATOM 17 N ASN A 2 59.944 3.393 -19.231 1.00 1.00 N ATOM 18 CA ASN A 2 60.564 2.115 -19.695 1.00 1.00 C ATOM 19 C ASN A 2 60.869 1.217 -18.493 1.00 1.00 C ATOM 20 O ASN A 2 61.841 0.488 -18.484 1.00 1.00 O ATOM 21 CB ASN A 2 61.861 2.418 -20.451 1.00 1.00 C ATOM 22 CG ASN A 2 62.763 3.302 -19.588 1.00 1.00 C ATOM 23 OD1 ASN A 2 63.370 2.834 -18.645 1.00 1.00 O ATOM 24 ND2 ASN A 2 62.877 4.571 -19.872 1.00 1.00 N ATOM 0 H ASN A 2 59.185 3.740 -19.817 1.00 1.00 H new ATOM 0 HA ASN A 2 59.868 1.601 -20.358 1.00 1.00 H new ATOM 0 HB2 ASN A 2 62.375 1.489 -20.699 1.00 1.00 H new ATOM 0 HB3 ASN A 2 61.636 2.919 -21.392 1.00 1.00 H new ATOM 0 HD21 ASN A 2 63.475 5.169 -19.302 1.00 1.00 H new ATOM 0 HD22 ASN A 2 62.368 4.964 -20.663 1.00 1.00 H new ATOM 31 N LEU A 3 60.045 1.264 -17.480 1.00 1.00 N ATOM 32 CA LEU A 3 60.280 0.415 -16.275 1.00 1.00 C ATOM 33 C LEU A 3 59.261 -0.727 -16.249 1.00 1.00 C ATOM 34 O LEU A 3 58.174 -0.588 -15.724 1.00 1.00 O ATOM 35 CB LEU A 3 60.117 1.269 -15.013 1.00 1.00 C ATOM 36 CG LEU A 3 60.620 0.491 -13.796 1.00 1.00 C ATOM 37 CD1 LEU A 3 62.130 0.691 -13.649 1.00 1.00 C ATOM 38 CD2 LEU A 3 59.915 1.002 -12.538 1.00 1.00 C ATOM 0 H LEU A 3 59.216 1.856 -17.435 1.00 1.00 H new ATOM 0 HA LEU A 3 61.288 0.003 -16.311 1.00 1.00 H new ATOM 0 HB2 LEU A 3 60.674 2.200 -15.118 1.00 1.00 H new ATOM 0 HB3 LEU A 3 59.070 1.538 -14.877 1.00 1.00 H new ATOM 0 HG LEU A 3 60.405 -0.569 -13.930 1.00 1.00 H new ATOM 0 HD11 LEU A 3 62.488 0.136 -12.782 1.00 1.00 H new ATOM 0 HD12 LEU A 3 62.634 0.328 -14.545 1.00 1.00 H new ATOM 0 HD13 LEU A 3 62.345 1.751 -13.516 1.00 1.00 H new ATOM 0 HD21 LEU A 3 60.273 0.448 -11.670 1.00 1.00 H new ATOM 0 HD22 LEU A 3 60.130 2.062 -12.406 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.839 0.860 -12.641 1.00 1.00 H new ATOM 50 N GLU A 4 59.602 -1.855 -16.810 1.00 1.00 N ATOM 51 CA GLU A 4 58.650 -3.002 -16.813 1.00 1.00 C ATOM 52 C GLU A 4 58.814 -3.798 -15.513 1.00 1.00 C ATOM 53 O GLU A 4 59.901 -3.903 -14.981 1.00 1.00 O ATOM 54 CB GLU A 4 58.950 -3.911 -18.007 1.00 1.00 C ATOM 55 CG GLU A 4 60.350 -4.508 -17.855 1.00 1.00 C ATOM 56 CD GLU A 4 60.771 -5.165 -19.171 1.00 1.00 C ATOM 57 OE1 GLU A 4 59.898 -5.456 -19.971 1.00 1.00 O ATOM 58 OE2 GLU A 4 61.960 -5.366 -19.356 1.00 1.00 O ATOM 0 H GLU A 4 60.497 -2.032 -17.266 1.00 1.00 H new ATOM 0 HA GLU A 4 57.629 -2.629 -16.889 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.208 -4.707 -18.067 1.00 1.00 H new ATOM 0 HB3 GLU A 4 58.884 -3.343 -18.935 1.00 1.00 H new ATOM 0 HG2 GLU A 4 61.061 -3.729 -17.582 1.00 1.00 H new ATOM 0 HG3 GLU A 4 60.358 -5.243 -17.050 1.00 1.00 H new ATOM 65 N PRO A 5 57.744 -4.357 -15.004 1.00 1.00 N ATOM 66 CA PRO A 5 57.772 -5.155 -13.749 1.00 1.00 C ATOM 67 C PRO A 5 59.052 -5.993 -13.618 1.00 1.00 C ATOM 68 O PRO A 5 59.172 -7.045 -14.214 1.00 1.00 O ATOM 69 CB PRO A 5 56.549 -6.061 -13.891 1.00 1.00 C ATOM 70 CG PRO A 5 55.576 -5.276 -14.711 1.00 1.00 C ATOM 71 CD PRO A 5 56.387 -4.297 -15.570 1.00 1.00 C ATOM 0 HA PRO A 5 57.757 -4.526 -12.859 1.00 1.00 H new ATOM 0 HB2 PRO A 5 56.809 -7.000 -14.379 1.00 1.00 H new ATOM 0 HB3 PRO A 5 56.130 -6.313 -12.917 1.00 1.00 H new ATOM 0 HG2 PRO A 5 54.982 -5.938 -15.341 1.00 1.00 H new ATOM 0 HG3 PRO A 5 54.879 -4.737 -14.069 1.00 1.00 H new ATOM 0 HD2 PRO A 5 56.380 -4.589 -16.620 1.00 1.00 H new ATOM 0 HD3 PRO A 5 55.978 -3.288 -15.517 1.00 1.00 H new ATOM 79 N PRO A 6 60.004 -5.531 -12.845 1.00 1.00 N ATOM 80 CA PRO A 6 61.290 -6.248 -12.641 1.00 1.00 C ATOM 81 C PRO A 6 61.193 -7.313 -11.543 1.00 1.00 C ATOM 82 O PRO A 6 60.717 -7.055 -10.455 1.00 1.00 O ATOM 83 CB PRO A 6 62.246 -5.131 -12.227 1.00 1.00 C ATOM 84 CG PRO A 6 61.389 -4.123 -11.530 1.00 1.00 C ATOM 85 CD PRO A 6 59.965 -4.272 -12.084 1.00 1.00 C ATOM 0 HA PRO A 6 61.607 -6.791 -13.531 1.00 1.00 H new ATOM 0 HB2 PRO A 6 63.029 -5.506 -11.568 1.00 1.00 H new ATOM 0 HB3 PRO A 6 62.742 -4.695 -13.094 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.401 -4.288 -10.453 1.00 1.00 H new ATOM 0 HG3 PRO A 6 61.765 -3.114 -11.702 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.228 -4.314 -11.282 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.695 -3.430 -12.721 1.00 1.00 H new ATOM 93 N LYS A 7 61.644 -8.505 -11.820 1.00 1.00 N ATOM 94 CA LYS A 7 61.582 -9.583 -10.794 1.00 1.00 C ATOM 95 C LYS A 7 62.679 -9.352 -9.751 1.00 1.00 C ATOM 96 O LYS A 7 63.749 -9.922 -9.826 1.00 1.00 O ATOM 97 CB LYS A 7 61.792 -10.942 -11.472 1.00 1.00 C ATOM 98 CG LYS A 7 62.764 -10.784 -12.643 1.00 1.00 C ATOM 99 CD LYS A 7 63.312 -12.156 -13.041 1.00 1.00 C ATOM 100 CE LYS A 7 64.561 -12.467 -12.214 1.00 1.00 C ATOM 101 NZ LYS A 7 65.121 -13.782 -12.636 1.00 1.00 N ATOM 0 H LYS A 7 62.053 -8.779 -12.713 1.00 1.00 H new ATOM 0 HA LYS A 7 60.608 -9.570 -10.305 1.00 1.00 H new ATOM 0 HB2 LYS A 7 62.185 -11.662 -10.754 1.00 1.00 H new ATOM 0 HB3 LYS A 7 60.839 -11.334 -11.827 1.00 1.00 H new ATOM 0 HG2 LYS A 7 62.257 -10.323 -13.491 1.00 1.00 H new ATOM 0 HG3 LYS A 7 63.583 -10.121 -12.363 1.00 1.00 H new ATOM 0 HD2 LYS A 7 62.555 -12.923 -12.878 1.00 1.00 H new ATOM 0 HD3 LYS A 7 63.554 -12.168 -14.104 1.00 1.00 H new ATOM 0 HE2 LYS A 7 65.305 -11.682 -12.350 1.00 1.00 H new ATOM 0 HE3 LYS A 7 64.312 -12.489 -11.153 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 65.970 -13.994 -12.074 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 64.411 -14.526 -12.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 65.373 -13.744 -13.644 1.00 1.00 H new ATOM 115 N ALA A 8 62.421 -8.519 -8.779 1.00 1.00 N ATOM 116 CA ALA A 8 63.451 -8.251 -7.735 1.00 1.00 C ATOM 117 C ALA A 8 62.812 -7.496 -6.567 1.00 1.00 C ATOM 118 O ALA A 8 63.472 -7.141 -5.610 1.00 1.00 O ATOM 119 CB ALA A 8 64.575 -7.404 -8.335 1.00 1.00 C ATOM 0 H ALA A 8 61.543 -8.013 -8.663 1.00 1.00 H new ATOM 0 HA ALA A 8 63.858 -9.196 -7.376 1.00 1.00 H new ATOM 0 HB1 ALA A 8 65.329 -7.207 -7.573 1.00 1.00 H new ATOM 0 HB2 ALA A 8 65.031 -7.941 -9.166 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.167 -6.459 -8.694 1.00 1.00 H new ATOM 125 N GLU A 9 61.533 -7.247 -6.636 1.00 1.00 N ATOM 126 CA GLU A 9 60.856 -6.515 -5.529 1.00 1.00 C ATOM 127 C GLU A 9 60.593 -7.474 -4.367 1.00 1.00 C ATOM 128 O GLU A 9 60.528 -7.070 -3.222 1.00 1.00 O ATOM 129 CB GLU A 9 59.525 -5.949 -6.031 1.00 1.00 C ATOM 130 CG GLU A 9 58.614 -7.098 -6.468 1.00 1.00 C ATOM 131 CD GLU A 9 57.380 -6.531 -7.174 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.713 -5.699 -6.581 1.00 1.00 O ATOM 133 OE2 GLU A 9 57.124 -6.938 -8.295 1.00 1.00 O ATOM 0 H GLU A 9 60.928 -7.519 -7.411 1.00 1.00 H new ATOM 0 HA GLU A 9 61.495 -5.700 -5.190 1.00 1.00 H new ATOM 0 HB2 GLU A 9 59.044 -5.369 -5.243 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.698 -5.270 -6.866 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.153 -7.769 -7.137 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.312 -7.687 -5.602 1.00 1.00 H new ATOM 140 N CYS A 10 60.435 -8.741 -4.650 1.00 1.00 N ATOM 141 CA CYS A 10 60.169 -9.724 -3.560 1.00 1.00 C ATOM 142 C CYS A 10 61.442 -10.520 -3.264 1.00 1.00 C ATOM 143 O CYS A 10 62.328 -10.627 -4.088 1.00 1.00 O ATOM 144 CB CYS A 10 59.052 -10.680 -3.995 1.00 1.00 C ATOM 145 SG CYS A 10 58.911 -10.665 -5.799 1.00 1.00 S ATOM 0 HA CYS A 10 59.860 -9.193 -2.660 1.00 1.00 H new ATOM 0 HB2 CYS A 10 59.267 -11.690 -3.645 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.106 -10.380 -3.543 1.00 1.00 H new ATOM 150 N ARG A 11 61.533 -11.076 -2.086 1.00 1.00 N ATOM 151 CA ARG A 11 62.740 -11.864 -1.717 1.00 1.00 C ATOM 152 C ARG A 11 62.365 -12.868 -0.625 1.00 1.00 C ATOM 153 O ARG A 11 62.804 -14.001 -0.630 1.00 1.00 O ATOM 154 CB ARG A 11 63.821 -10.913 -1.197 1.00 1.00 C ATOM 155 CG ARG A 11 65.058 -11.716 -0.788 1.00 1.00 C ATOM 156 CD ARG A 11 66.115 -10.769 -0.217 1.00 1.00 C ATOM 157 NE ARG A 11 67.079 -11.545 0.614 1.00 1.00 N ATOM 158 CZ ARG A 11 67.992 -12.279 0.040 1.00 1.00 C ATOM 159 NH1 ARG A 11 68.061 -12.334 -1.262 1.00 1.00 N ATOM 160 NH2 ARG A 11 68.836 -12.959 0.767 1.00 1.00 N ATOM 0 H ARG A 11 60.818 -11.017 -1.361 1.00 1.00 H new ATOM 0 HA ARG A 11 63.119 -12.399 -2.588 1.00 1.00 H new ATOM 0 HB2 ARG A 11 64.084 -10.189 -1.968 1.00 1.00 H new ATOM 0 HB3 ARG A 11 63.443 -10.348 -0.345 1.00 1.00 H new ATOM 0 HG2 ARG A 11 64.788 -12.467 -0.046 1.00 1.00 H new ATOM 0 HG3 ARG A 11 65.460 -12.249 -1.650 1.00 1.00 H new ATOM 0 HD2 ARG A 11 66.641 -10.263 -1.027 1.00 1.00 H new ATOM 0 HD3 ARG A 11 65.639 -9.996 0.386 1.00 1.00 H new ATOM 0 HE ARG A 11 67.025 -11.502 1.632 1.00 1.00 H new ATOM 0 HH11 ARG A 11 67.401 -11.803 -1.831 1.00 1.00 H new ATOM 0 HH12 ARG A 11 68.775 -12.908 -1.711 1.00 1.00 H new ATOM 0 HH21 ARG A 11 68.782 -12.917 1.785 1.00 1.00 H new ATOM 0 HH22 ARG A 11 69.550 -13.533 0.317 1.00 1.00 H new ATOM 174 N SER A 12 61.554 -12.458 0.313 1.00 1.00 N ATOM 175 CA SER A 12 61.147 -13.385 1.408 1.00 1.00 C ATOM 176 C SER A 12 59.813 -12.921 1.997 1.00 1.00 C ATOM 177 O SER A 12 58.856 -13.666 2.053 1.00 1.00 O ATOM 178 CB SER A 12 62.216 -13.383 2.501 1.00 1.00 C ATOM 179 OG SER A 12 62.453 -12.047 2.923 1.00 1.00 O ATOM 0 H SER A 12 61.156 -11.521 0.368 1.00 1.00 H new ATOM 0 HA SER A 12 61.038 -14.394 1.010 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.891 -13.991 3.345 1.00 1.00 H new ATOM 0 HB3 SER A 12 63.138 -13.827 2.125 1.00 1.00 H new ATOM 0 HG SER A 12 63.137 -12.042 3.625 1.00 1.00 H new ATOM 185 N ALA A 13 59.742 -11.693 2.436 1.00 1.00 N ATOM 186 CA ALA A 13 58.469 -11.179 3.019 1.00 1.00 C ATOM 187 C ALA A 13 58.011 -12.101 4.150 1.00 1.00 C ATOM 188 O ALA A 13 56.831 -12.291 4.369 1.00 1.00 O ATOM 189 CB ALA A 13 57.392 -11.133 1.933 1.00 1.00 C ATOM 0 H ALA A 13 60.511 -11.023 2.416 1.00 1.00 H new ATOM 0 HA ALA A 13 58.633 -10.176 3.414 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.462 -10.757 2.359 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.715 -10.473 1.128 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.231 -12.136 1.537 1.00 1.00 H new ATOM 195 N THR A 14 58.933 -12.676 4.874 1.00 1.00 N ATOM 196 CA THR A 14 58.542 -13.582 5.990 1.00 1.00 C ATOM 197 C THR A 14 59.711 -13.728 6.967 1.00 1.00 C ATOM 198 O THR A 14 59.592 -14.354 8.001 1.00 1.00 O ATOM 199 CB THR A 14 58.174 -14.957 5.427 1.00 1.00 C ATOM 200 OG1 THR A 14 57.712 -15.790 6.481 1.00 1.00 O ATOM 201 CG2 THR A 14 59.405 -15.590 4.776 1.00 1.00 C ATOM 0 H THR A 14 59.937 -12.558 4.741 1.00 1.00 H new ATOM 0 HA THR A 14 57.683 -13.161 6.513 1.00 1.00 H new ATOM 0 HB THR A 14 57.388 -14.846 4.680 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.147 -15.528 7.319 1.00 1.00 H new ATOM 0 HG21 THR A 14 59.142 -16.569 4.375 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.759 -14.950 3.967 1.00 1.00 H new ATOM 0 HG23 THR A 14 60.193 -15.702 5.521 1.00 1.00 H new ATOM 209 N ARG A 15 60.839 -13.155 6.649 1.00 1.00 N ATOM 210 CA ARG A 15 62.011 -13.261 7.563 1.00 1.00 C ATOM 211 C ARG A 15 63.001 -12.136 7.258 1.00 1.00 C ATOM 212 O ARG A 15 63.678 -12.146 6.249 1.00 1.00 O ATOM 213 CB ARG A 15 62.698 -14.614 7.361 1.00 1.00 C ATOM 214 CG ARG A 15 63.705 -14.849 8.489 1.00 1.00 C ATOM 215 CD ARG A 15 64.611 -16.027 8.127 1.00 1.00 C ATOM 216 NE ARG A 15 65.701 -16.144 9.136 1.00 1.00 N ATOM 217 CZ ARG A 15 66.643 -17.034 8.980 1.00 1.00 C ATOM 218 NH1 ARG A 15 66.629 -17.822 7.940 1.00 1.00 N ATOM 219 NH2 ARG A 15 67.597 -17.136 9.865 1.00 1.00 N ATOM 0 H ARG A 15 61.000 -12.618 5.797 1.00 1.00 H new ATOM 0 HA ARG A 15 61.673 -13.177 8.596 1.00 1.00 H new ATOM 0 HB2 ARG A 15 61.956 -15.412 7.349 1.00 1.00 H new ATOM 0 HB3 ARG A 15 63.205 -14.636 6.396 1.00 1.00 H new ATOM 0 HG2 ARG A 15 64.303 -13.952 8.649 1.00 1.00 H new ATOM 0 HG3 ARG A 15 63.180 -15.053 9.422 1.00 1.00 H new ATOM 0 HD2 ARG A 15 64.031 -16.949 8.094 1.00 1.00 H new ATOM 0 HD3 ARG A 15 65.035 -15.882 7.133 1.00 1.00 H new ATOM 0 HE ARG A 15 65.711 -15.528 9.949 1.00 1.00 H new ATOM 0 HH11 ARG A 15 65.882 -17.742 7.250 1.00 1.00 H new ATOM 0 HH12 ARG A 15 67.365 -18.518 7.817 1.00 1.00 H new ATOM 0 HH21 ARG A 15 67.606 -16.520 10.678 1.00 1.00 H new ATOM 0 HH22 ARG A 15 68.333 -17.831 9.743 1.00 1.00 H new ATOM 233 N VAL A 16 63.088 -11.163 8.124 1.00 1.00 N ATOM 234 CA VAL A 16 64.032 -10.034 7.889 1.00 1.00 C ATOM 235 C VAL A 16 64.478 -9.460 9.237 1.00 1.00 C ATOM 236 O VAL A 16 64.701 -10.186 10.186 1.00 1.00 O ATOM 237 CB VAL A 16 63.329 -8.946 7.074 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.987 -9.488 5.685 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.042 -8.528 7.788 1.00 1.00 C ATOM 0 H VAL A 16 62.545 -11.101 8.985 1.00 1.00 H new ATOM 0 HA VAL A 16 64.903 -10.391 7.340 1.00 1.00 H new ATOM 0 HB VAL A 16 63.988 -8.084 6.975 1.00 1.00 H new ATOM 0 HG11 VAL A 16 62.486 -8.713 5.105 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.903 -9.788 5.176 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.328 -10.350 5.783 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.540 -7.753 7.209 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.384 -9.391 7.887 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.284 -8.142 8.778 1.00 1.00 H new ATOM 249 N MET A 17 64.611 -8.165 9.333 1.00 1.00 N ATOM 250 CA MET A 17 65.042 -7.553 10.622 1.00 1.00 C ATOM 251 C MET A 17 64.749 -6.050 10.592 1.00 1.00 C ATOM 252 O MET A 17 65.445 -5.261 11.199 1.00 1.00 O ATOM 253 CB MET A 17 66.547 -7.788 10.819 1.00 1.00 C ATOM 254 CG MET A 17 66.835 -8.053 12.298 1.00 1.00 C ATOM 255 SD MET A 17 66.012 -6.796 13.307 1.00 1.00 S ATOM 256 CE MET A 17 67.159 -6.841 14.706 1.00 1.00 C ATOM 0 H MET A 17 64.440 -7.505 8.575 1.00 1.00 H new ATOM 0 HA MET A 17 64.496 -8.009 11.448 1.00 1.00 H new ATOM 0 HB2 MET A 17 66.875 -8.635 10.217 1.00 1.00 H new ATOM 0 HB3 MET A 17 67.109 -6.918 10.479 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.482 -9.046 12.576 1.00 1.00 H new ATOM 0 HG3 MET A 17 67.910 -8.034 12.479 1.00 1.00 H new ATOM 0 HE1 MET A 17 66.836 -6.127 15.464 1.00 1.00 H new ATOM 0 HE2 MET A 17 67.172 -7.844 15.133 1.00 1.00 H new ATOM 0 HE3 MET A 17 68.160 -6.579 14.364 1.00 1.00 H new ATOM 266 N GLY A 18 63.723 -5.651 9.886 1.00 1.00 N ATOM 267 CA GLY A 18 63.378 -4.200 9.809 1.00 1.00 C ATOM 268 C GLY A 18 62.052 -3.950 10.530 1.00 1.00 C ATOM 269 O GLY A 18 60.995 -3.969 9.930 1.00 1.00 O ATOM 0 H GLY A 18 63.107 -6.269 9.358 1.00 1.00 H new ATOM 0 HA2 GLY A 18 64.169 -3.603 10.263 1.00 1.00 H new ATOM 0 HA3 GLY A 18 63.302 -3.889 8.767 1.00 1.00 H new ATOM 273 N GLY A 19 62.099 -3.713 11.813 1.00 1.00 N ATOM 274 CA GLY A 19 60.840 -3.459 12.571 1.00 1.00 C ATOM 275 C GLY A 19 60.124 -2.243 11.976 1.00 1.00 C ATOM 276 O GLY A 19 60.337 -1.890 10.834 1.00 1.00 O ATOM 0 H GLY A 19 62.954 -3.684 12.369 1.00 1.00 H new ATOM 0 HA2 GLY A 19 60.192 -4.334 12.525 1.00 1.00 H new ATOM 0 HA3 GLY A 19 61.065 -3.283 13.623 1.00 1.00 H new ATOM 280 N PRO A 20 59.277 -1.611 12.747 1.00 1.00 N ATOM 281 CA PRO A 20 58.509 -0.411 12.297 1.00 1.00 C ATOM 282 C PRO A 20 59.427 0.763 11.926 1.00 1.00 C ATOM 283 O PRO A 20 59.219 1.883 12.348 1.00 1.00 O ATOM 284 CB PRO A 20 57.632 -0.046 13.507 1.00 1.00 C ATOM 285 CG PRO A 20 57.634 -1.250 14.390 1.00 1.00 C ATOM 286 CD PRO A 20 58.954 -1.976 14.134 1.00 1.00 C ATOM 0 HA PRO A 20 57.932 -0.622 11.396 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.030 0.823 14.030 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.619 0.207 13.194 1.00 1.00 H new ATOM 0 HG2 PRO A 20 57.547 -0.962 15.438 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.786 -1.897 14.165 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.732 -1.653 14.826 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.849 -3.055 14.252 1.00 1.00 H new ATOM 294 N CYS A 21 60.439 0.515 11.140 1.00 1.00 N ATOM 295 CA CYS A 21 61.364 1.615 10.746 1.00 1.00 C ATOM 296 C CYS A 21 60.781 2.369 9.548 1.00 1.00 C ATOM 297 O CYS A 21 59.932 1.865 8.840 1.00 1.00 O ATOM 298 CB CYS A 21 62.722 1.024 10.363 1.00 1.00 C ATOM 299 SG CYS A 21 62.480 -0.328 9.184 1.00 1.00 S ATOM 0 H CYS A 21 60.665 -0.402 10.754 1.00 1.00 H new ATOM 0 HA CYS A 21 61.488 2.303 11.582 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.355 1.795 9.924 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.235 0.658 11.252 1.00 1.00 H new ATOM 304 N THR A 22 61.233 3.573 9.318 1.00 1.00 N ATOM 305 CA THR A 22 60.713 4.370 8.166 1.00 1.00 C ATOM 306 C THR A 22 61.781 4.419 7.066 1.00 1.00 C ATOM 307 O THR A 22 62.961 4.321 7.339 1.00 1.00 O ATOM 308 CB THR A 22 60.391 5.796 8.638 1.00 1.00 C ATOM 309 OG1 THR A 22 61.469 6.658 8.303 1.00 1.00 O ATOM 310 CG2 THR A 22 60.184 5.800 10.154 1.00 1.00 C ATOM 0 H THR A 22 61.943 4.042 9.880 1.00 1.00 H new ATOM 0 HA THR A 22 59.807 3.907 7.774 1.00 1.00 H new ATOM 0 HB THR A 22 59.481 6.144 8.149 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.265 7.569 8.602 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.956 6.812 10.487 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.356 5.138 10.410 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.092 5.452 10.646 1.00 1.00 H new ATOM 318 N PRO A 23 61.374 4.571 5.831 1.00 1.00 N ATOM 319 CA PRO A 23 62.318 4.633 4.675 1.00 1.00 C ATOM 320 C PRO A 23 63.233 5.861 4.743 1.00 1.00 C ATOM 321 O PRO A 23 62.920 6.846 5.381 1.00 1.00 O ATOM 322 CB PRO A 23 61.400 4.710 3.446 1.00 1.00 C ATOM 323 CG PRO A 23 60.088 5.204 3.960 1.00 1.00 C ATOM 324 CD PRO A 23 59.974 4.706 5.402 1.00 1.00 C ATOM 0 HA PRO A 23 62.989 3.774 4.656 1.00 1.00 H new ATOM 0 HB2 PRO A 23 61.807 5.386 2.694 1.00 1.00 H new ATOM 0 HB3 PRO A 23 61.294 3.734 2.973 1.00 1.00 H new ATOM 0 HG2 PRO A 23 60.040 6.292 3.920 1.00 1.00 H new ATOM 0 HG3 PRO A 23 59.266 4.826 3.352 1.00 1.00 H new ATOM 0 HD2 PRO A 23 59.429 5.412 6.028 1.00 1.00 H new ATOM 0 HD3 PRO A 23 59.444 3.755 5.457 1.00 1.00 H new ATOM 332 N ARG A 24 64.361 5.806 4.090 1.00 1.00 N ATOM 333 CA ARG A 24 65.297 6.966 4.116 1.00 1.00 C ATOM 334 C ARG A 24 65.014 7.879 2.920 1.00 1.00 C ATOM 335 O ARG A 24 65.694 7.831 1.914 1.00 1.00 O ATOM 336 CB ARG A 24 66.739 6.456 4.043 1.00 1.00 C ATOM 337 CG ARG A 24 66.868 5.171 4.863 1.00 1.00 C ATOM 338 CD ARG A 24 68.348 4.857 5.091 1.00 1.00 C ATOM 339 NE ARG A 24 68.576 3.394 4.925 1.00 1.00 N ATOM 340 CZ ARG A 24 68.318 2.577 5.909 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.860 3.041 7.039 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.519 1.295 5.763 1.00 1.00 N ATOM 0 H ARG A 24 64.676 5.007 3.539 1.00 1.00 H new ATOM 0 HA ARG A 24 65.156 7.528 5.039 1.00 1.00 H new ATOM 0 HB2 ARG A 24 67.017 6.268 3.006 1.00 1.00 H new ATOM 0 HB3 ARG A 24 67.424 7.214 4.424 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.358 5.285 5.820 1.00 1.00 H new ATOM 0 HG3 ARG A 24 66.386 4.344 4.341 1.00 1.00 H new ATOM 0 HD2 ARG A 24 68.962 5.414 4.384 1.00 1.00 H new ATOM 0 HD3 ARG A 24 68.648 5.172 6.091 1.00 1.00 H new ATOM 0 HE ARG A 24 68.934 3.031 4.042 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.704 4.042 7.153 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.658 2.402 7.808 1.00 1.00 H new ATOM 0 HH21 ARG A 24 68.878 0.932 4.880 1.00 1.00 H new ATOM 0 HH22 ARG A 24 68.317 0.656 6.532 1.00 1.00 H new ATOM 356 N LYS A 25 64.016 8.712 3.022 1.00 1.00 N ATOM 357 CA LYS A 25 63.692 9.629 1.892 1.00 1.00 C ATOM 358 C LYS A 25 63.597 8.825 0.593 1.00 1.00 C ATOM 359 O LYS A 25 63.185 7.682 0.586 1.00 1.00 O ATOM 360 CB LYS A 25 64.792 10.688 1.762 1.00 1.00 C ATOM 361 CG LYS A 25 65.285 11.087 3.154 1.00 1.00 C ATOM 362 CD LYS A 25 64.097 11.540 4.006 1.00 1.00 C ATOM 363 CE LYS A 25 64.608 12.123 5.325 1.00 1.00 C ATOM 364 NZ LYS A 25 65.604 13.195 5.042 1.00 1.00 N ATOM 0 H LYS A 25 63.411 8.798 3.838 1.00 1.00 H new ATOM 0 HA LYS A 25 62.738 10.120 2.084 1.00 1.00 H new ATOM 0 HB2 LYS A 25 65.620 10.297 1.170 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.409 11.562 1.236 1.00 1.00 H new ATOM 0 HG2 LYS A 25 65.786 10.244 3.629 1.00 1.00 H new ATOM 0 HG3 LYS A 25 66.017 11.891 3.076 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.514 12.287 3.468 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.434 10.697 4.201 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.777 12.528 5.902 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.064 11.339 5.929 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 65.473 13.977 5.715 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 66.565 12.811 5.141 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 65.470 13.546 4.072 1.00 1.00 H new ATOM 378 N GLY A 26 63.977 9.415 -0.509 1.00 1.00 N ATOM 379 CA GLY A 26 63.911 8.685 -1.807 1.00 1.00 C ATOM 380 C GLY A 26 64.504 9.558 -2.916 1.00 1.00 C ATOM 381 O GLY A 26 65.550 9.258 -3.456 1.00 1.00 O ATOM 0 H GLY A 26 64.330 10.370 -0.566 1.00 1.00 H new ATOM 0 HA2 GLY A 26 64.460 7.746 -1.736 1.00 1.00 H new ATOM 0 HA3 GLY A 26 62.877 8.433 -2.042 1.00 1.00 H new ATOM 385 N PRO A 27 63.840 10.634 -3.251 1.00 1.00 N ATOM 386 CA PRO A 27 64.311 11.570 -4.314 1.00 1.00 C ATOM 387 C PRO A 27 65.787 11.950 -4.126 1.00 1.00 C ATOM 388 O PRO A 27 66.404 11.579 -3.148 1.00 1.00 O ATOM 389 CB PRO A 27 63.410 12.798 -4.145 1.00 1.00 C ATOM 390 CG PRO A 27 62.167 12.291 -3.492 1.00 1.00 C ATOM 391 CD PRO A 27 62.569 11.075 -2.654 1.00 1.00 C ATOM 0 HA PRO A 27 64.250 11.126 -5.308 1.00 1.00 H new ATOM 0 HB2 PRO A 27 63.894 13.559 -3.532 1.00 1.00 H new ATOM 0 HB3 PRO A 27 63.188 13.258 -5.108 1.00 1.00 H new ATOM 0 HG2 PRO A 27 61.719 13.061 -2.864 1.00 1.00 H new ATOM 0 HG3 PRO A 27 61.423 12.016 -4.239 1.00 1.00 H new ATOM 0 HD2 PRO A 27 62.692 11.338 -1.603 1.00 1.00 H new ATOM 0 HD3 PRO A 27 61.813 10.291 -2.700 1.00 1.00 H new ATOM 399 N PRO A 28 66.350 12.684 -5.054 1.00 1.00 N ATOM 400 CA PRO A 28 67.778 13.115 -4.975 1.00 1.00 C ATOM 401 C PRO A 28 68.052 13.971 -3.734 1.00 1.00 C ATOM 402 O PRO A 28 67.286 14.852 -3.397 1.00 1.00 O ATOM 403 CB PRO A 28 67.999 13.939 -6.254 1.00 1.00 C ATOM 404 CG PRO A 28 66.870 13.585 -7.166 1.00 1.00 C ATOM 405 CD PRO A 28 65.696 13.177 -6.275 1.00 1.00 C ATOM 0 HA PRO A 28 68.450 12.260 -4.896 1.00 1.00 H new ATOM 0 HB2 PRO A 28 68.005 15.007 -6.035 1.00 1.00 H new ATOM 0 HB3 PRO A 28 68.960 13.702 -6.711 1.00 1.00 H new ATOM 0 HG2 PRO A 28 66.601 14.433 -7.796 1.00 1.00 H new ATOM 0 HG3 PRO A 28 67.152 12.770 -7.832 1.00 1.00 H new ATOM 0 HD2 PRO A 28 65.038 14.021 -6.066 1.00 1.00 H new ATOM 0 HD3 PRO A 28 65.085 12.405 -6.743 1.00 1.00 H new ATOM 413 N LYS A 29 69.137 13.723 -3.053 1.00 1.00 N ATOM 414 CA LYS A 29 69.450 14.529 -1.840 1.00 1.00 C ATOM 415 C LYS A 29 70.862 14.197 -1.349 1.00 1.00 C ATOM 416 O LYS A 29 71.154 14.274 -0.173 1.00 1.00 O ATOM 417 CB LYS A 29 68.433 14.209 -0.739 1.00 1.00 C ATOM 418 CG LYS A 29 68.366 15.374 0.251 1.00 1.00 C ATOM 419 CD LYS A 29 67.640 14.925 1.520 1.00 1.00 C ATOM 420 CE LYS A 29 68.653 14.343 2.509 1.00 1.00 C ATOM 421 NZ LYS A 29 67.935 13.543 3.541 1.00 1.00 N ATOM 0 H LYS A 29 69.818 12.999 -3.283 1.00 1.00 H new ATOM 0 HA LYS A 29 69.397 15.589 -2.087 1.00 1.00 H new ATOM 0 HB2 LYS A 29 67.450 14.034 -1.177 1.00 1.00 H new ATOM 0 HB3 LYS A 29 68.719 13.294 -0.221 1.00 1.00 H new ATOM 0 HG2 LYS A 29 69.372 15.715 0.496 1.00 1.00 H new ATOM 0 HG3 LYS A 29 67.844 16.218 -0.200 1.00 1.00 H new ATOM 0 HD2 LYS A 29 67.119 15.769 1.971 1.00 1.00 H new ATOM 0 HD3 LYS A 29 66.885 14.178 1.275 1.00 1.00 H new ATOM 0 HE2 LYS A 29 69.372 13.716 1.983 1.00 1.00 H new ATOM 0 HE3 LYS A 29 69.217 15.146 2.983 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 67.801 14.120 4.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.008 13.251 3.171 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 68.495 12.699 3.777 1.00 1.00 H new ATOM 435 N CYS A 30 71.742 13.831 -2.242 1.00 1.00 N ATOM 436 CA CYS A 30 73.134 13.498 -1.823 1.00 1.00 C ATOM 437 C CYS A 30 73.744 14.695 -1.089 1.00 1.00 C ATOM 438 O CYS A 30 74.322 15.575 -1.695 1.00 1.00 O ATOM 439 CB CYS A 30 73.975 13.175 -3.060 1.00 1.00 C ATOM 440 SG CYS A 30 75.711 12.994 -2.579 1.00 1.00 S ATOM 0 H CYS A 30 71.558 13.748 -3.242 1.00 1.00 H new ATOM 0 HA CYS A 30 73.118 12.634 -1.159 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.618 12.257 -3.526 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.872 13.969 -3.800 1.00 1.00 H new ATOM 445 N LYS A 31 73.619 14.734 0.212 1.00 1.00 N ATOM 446 CA LYS A 31 74.191 15.876 0.989 1.00 1.00 C ATOM 447 C LYS A 31 75.457 15.420 1.720 1.00 1.00 C ATOM 448 O LYS A 31 75.932 16.075 2.627 1.00 1.00 O ATOM 449 CB LYS A 31 73.151 16.383 2.001 1.00 1.00 C ATOM 450 CG LYS A 31 73.081 15.428 3.194 1.00 1.00 C ATOM 451 CD LYS A 31 72.803 14.008 2.697 1.00 1.00 C ATOM 452 CE LYS A 31 72.372 13.130 3.873 1.00 1.00 C ATOM 453 NZ LYS A 31 73.124 13.533 5.095 1.00 1.00 N ATOM 0 H LYS A 31 73.145 14.024 0.771 1.00 1.00 H new ATOM 0 HA LYS A 31 74.448 16.686 0.307 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.418 17.384 2.340 1.00 1.00 H new ATOM 0 HB3 LYS A 31 72.173 16.458 1.525 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.019 15.453 3.749 1.00 1.00 H new ATOM 0 HG3 LYS A 31 72.296 15.744 3.881 1.00 1.00 H new ATOM 0 HD2 LYS A 31 72.022 14.024 1.936 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.696 13.594 2.229 1.00 1.00 H new ATOM 0 HE2 LYS A 31 71.300 13.231 4.043 1.00 1.00 H new ATOM 0 HE3 LYS A 31 72.561 12.081 3.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 72.807 12.959 5.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.142 13.383 4.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 72.949 14.538 5.295 1.00 1.00 H new ATOM 467 N GLN A 32 76.008 14.302 1.333 1.00 1.00 N ATOM 468 CA GLN A 32 77.242 13.808 2.008 1.00 1.00 C ATOM 469 C GLN A 32 78.459 14.563 1.468 1.00 1.00 C ATOM 470 O GLN A 32 78.416 15.151 0.406 1.00 1.00 O ATOM 471 CB GLN A 32 77.412 12.312 1.735 1.00 1.00 C ATOM 472 CG GLN A 32 76.217 11.548 2.308 1.00 1.00 C ATOM 473 CD GLN A 32 76.197 11.698 3.831 1.00 1.00 C ATOM 474 OE1 GLN A 32 75.234 12.178 4.393 1.00 1.00 O ATOM 475 NE2 GLN A 32 77.229 11.303 4.526 1.00 1.00 N ATOM 0 H GLN A 32 75.658 13.710 0.580 1.00 1.00 H new ATOM 0 HA GLN A 32 77.156 13.975 3.082 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.490 12.134 0.662 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.337 11.952 2.186 1.00 1.00 H new ATOM 0 HG2 GLN A 32 75.289 11.931 1.882 1.00 1.00 H new ATOM 0 HG3 GLN A 32 76.282 10.494 2.037 1.00 1.00 H new ATOM 0 HE21 GLN A 32 78.038 10.900 4.053 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.226 11.398 5.542 1.00 1.00 H new ATOM 484 N ARG A 33 79.545 14.548 2.195 1.00 1.00 N ATOM 485 CA ARG A 33 80.774 15.259 1.732 1.00 1.00 C ATOM 486 C ARG A 33 81.991 14.362 1.964 1.00 1.00 C ATOM 487 O ARG A 33 83.121 14.806 1.916 1.00 1.00 O ATOM 488 CB ARG A 33 80.939 16.562 2.524 1.00 1.00 C ATOM 489 CG ARG A 33 79.883 17.576 2.077 1.00 1.00 C ATOM 490 CD ARG A 33 79.054 18.016 3.286 1.00 1.00 C ATOM 491 NE ARG A 33 78.352 16.835 3.862 1.00 1.00 N ATOM 492 CZ ARG A 33 77.875 16.888 5.076 1.00 1.00 C ATOM 493 NH1 ARG A 33 78.014 17.975 5.784 1.00 1.00 N ATOM 494 NH2 ARG A 33 77.259 15.854 5.581 1.00 1.00 N ATOM 0 H ARG A 33 79.634 14.072 3.093 1.00 1.00 H new ATOM 0 HA ARG A 33 80.687 15.490 0.670 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.839 16.365 3.591 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.938 16.970 2.367 1.00 1.00 H new ATOM 0 HG2 ARG A 33 80.364 18.440 1.619 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.235 17.133 1.320 1.00 1.00 H new ATOM 0 HD2 ARG A 33 79.700 18.471 4.037 1.00 1.00 H new ATOM 0 HD3 ARG A 33 78.329 18.774 2.987 1.00 1.00 H new ATOM 0 HE ARG A 33 78.244 15.985 3.308 1.00 1.00 H new ATOM 0 HH11 ARG A 33 78.495 18.783 5.389 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.641 18.017 6.733 1.00 1.00 H new ATOM 0 HH21 ARG A 33 77.150 15.004 5.027 1.00 1.00 H new ATOM 0 HH22 ARG A 33 76.886 15.896 6.530 1.00 1.00 H new ATOM 508 N GLN A 34 81.767 13.100 2.214 1.00 1.00 N ATOM 509 CA GLN A 34 82.905 12.166 2.447 1.00 1.00 C ATOM 510 C GLN A 34 83.808 12.713 3.554 1.00 1.00 C ATOM 511 O GLN A 34 84.985 12.417 3.608 1.00 1.00 O ATOM 512 CB GLN A 34 83.715 12.014 1.157 1.00 1.00 C ATOM 513 CG GLN A 34 82.800 11.518 0.035 1.00 1.00 C ATOM 514 CD GLN A 34 83.576 11.494 -1.283 1.00 1.00 C ATOM 515 OE1 GLN A 34 83.632 10.480 -1.950 1.00 1.00 O ATOM 516 NE2 GLN A 34 84.179 12.577 -1.690 1.00 1.00 N ATOM 0 H GLN A 34 80.841 12.675 2.267 1.00 1.00 H new ATOM 0 HA GLN A 34 82.514 11.194 2.749 1.00 1.00 H new ATOM 0 HB2 GLN A 34 84.162 12.969 0.881 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.534 11.311 1.310 1.00 1.00 H new ATOM 0 HG2 GLN A 34 82.428 10.520 0.269 1.00 1.00 H new ATOM 0 HG3 GLN A 34 81.931 12.169 -0.054 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.132 13.428 -1.130 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.698 12.573 -2.568 1.00 1.00 H new ATOM 525 N THR A 35 83.270 13.505 4.441 1.00 1.00 N ATOM 526 CA THR A 35 84.106 14.061 5.543 1.00 1.00 C ATOM 527 C THR A 35 84.837 12.918 6.248 1.00 1.00 C ATOM 528 O THR A 35 86.021 12.991 6.510 1.00 1.00 O ATOM 529 CB THR A 35 83.211 14.790 6.548 1.00 1.00 C ATOM 530 OG1 THR A 35 82.536 13.837 7.356 1.00 1.00 O ATOM 531 CG2 THR A 35 82.187 15.643 5.798 1.00 1.00 C ATOM 0 H THR A 35 82.291 13.790 4.451 1.00 1.00 H new ATOM 0 HA THR A 35 84.832 14.762 5.131 1.00 1.00 H new ATOM 0 HB THR A 35 83.823 15.434 7.180 1.00 1.00 H new ATOM 0 HG1 THR A 35 81.964 14.302 8.001 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.550 16.161 6.515 1.00 1.00 H new ATOM 0 HG22 THR A 35 82.706 16.374 5.179 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.573 15.002 5.165 1.00 1.00 H new ATOM 539 N ARG A 36 84.139 11.859 6.555 1.00 1.00 N ATOM 540 CA ARG A 36 84.789 10.708 7.241 1.00 1.00 C ATOM 541 C ARG A 36 85.754 10.020 6.274 1.00 1.00 C ATOM 542 O ARG A 36 86.790 9.520 6.666 1.00 1.00 O ATOM 543 CB ARG A 36 83.713 9.713 7.685 1.00 1.00 C ATOM 544 CG ARG A 36 82.946 9.204 6.463 1.00 1.00 C ATOM 545 CD ARG A 36 81.452 9.141 6.787 1.00 1.00 C ATOM 546 NE ARG A 36 80.886 10.519 6.789 1.00 1.00 N ATOM 547 CZ ARG A 36 79.663 10.722 6.382 1.00 1.00 C ATOM 548 NH1 ARG A 36 78.936 9.719 5.972 1.00 1.00 N ATOM 549 NH2 ARG A 36 79.166 11.929 6.384 1.00 1.00 N ATOM 0 H ARG A 36 83.145 11.742 6.360 1.00 1.00 H new ATOM 0 HA ARG A 36 85.340 11.062 8.112 1.00 1.00 H new ATOM 0 HB2 ARG A 36 84.172 8.877 8.212 1.00 1.00 H new ATOM 0 HB3 ARG A 36 83.027 10.192 8.383 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.117 9.864 5.613 1.00 1.00 H new ATOM 0 HG3 ARG A 36 83.309 8.216 6.178 1.00 1.00 H new ATOM 0 HD2 ARG A 36 80.935 8.525 6.051 1.00 1.00 H new ATOM 0 HD3 ARG A 36 81.299 8.672 7.759 1.00 1.00 H new ATOM 0 HE ARG A 36 81.454 11.304 7.108 1.00 1.00 H new ATOM 0 HH11 ARG A 36 79.324 8.776 5.970 1.00 1.00 H new ATOM 0 HH12 ARG A 36 77.980 9.878 5.654 1.00 1.00 H new ATOM 0 HH21 ARG A 36 79.734 12.714 6.704 1.00 1.00 H new ATOM 0 HH22 ARG A 36 78.210 12.087 6.066 1.00 1.00 H new ATOM 563 N GLN A 37 85.421 9.995 5.013 1.00 1.00 N ATOM 564 CA GLN A 37 86.314 9.344 4.012 1.00 1.00 C ATOM 565 C GLN A 37 86.804 7.998 4.556 1.00 1.00 C ATOM 566 O GLN A 37 86.022 7.146 4.929 1.00 1.00 O ATOM 567 CB GLN A 37 87.513 10.256 3.730 1.00 1.00 C ATOM 568 CG GLN A 37 88.184 9.830 2.422 1.00 1.00 C ATOM 569 CD GLN A 37 89.372 10.750 2.134 1.00 1.00 C ATOM 570 OE1 GLN A 37 89.225 11.955 2.092 1.00 1.00 O ATOM 571 NE2 GLN A 37 90.551 10.229 1.933 1.00 1.00 N ATOM 0 H GLN A 37 84.566 10.399 4.631 1.00 1.00 H new ATOM 0 HA GLN A 37 85.762 9.176 3.087 1.00 1.00 H new ATOM 0 HB2 GLN A 37 87.186 11.293 3.662 1.00 1.00 H new ATOM 0 HB3 GLN A 37 88.227 10.200 4.552 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.521 8.796 2.494 1.00 1.00 H new ATOM 0 HG3 GLN A 37 87.468 9.876 1.602 1.00 1.00 H new ATOM 0 HE21 GLN A 37 90.674 9.217 1.968 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.350 10.834 1.741 1.00 1.00 H new ATOM 580 N CYS A 38 88.093 7.801 4.603 1.00 1.00 N ATOM 581 CA CYS A 38 88.637 6.514 5.120 1.00 1.00 C ATOM 582 C CYS A 38 90.054 6.747 5.652 1.00 1.00 C ATOM 583 O CYS A 38 90.511 6.068 6.551 1.00 1.00 O ATOM 584 CB CYS A 38 88.670 5.478 3.987 1.00 1.00 C ATOM 585 SG CYS A 38 87.917 6.186 2.501 1.00 1.00 S ATOM 0 H CYS A 38 88.795 8.478 4.305 1.00 1.00 H new ATOM 0 HA CYS A 38 88.003 6.142 5.924 1.00 1.00 H new ATOM 0 HB2 CYS A 38 89.698 5.181 3.781 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.133 4.578 4.287 1.00 1.00 H new ATOM 590 N LYS A 39 90.744 7.712 5.108 1.00 1.00 N ATOM 591 CA LYS A 39 92.128 8.012 5.579 1.00 1.00 C ATOM 592 C LYS A 39 92.916 6.708 5.749 1.00 1.00 C ATOM 593 O LYS A 39 93.920 6.668 6.431 1.00 1.00 O ATOM 594 CB LYS A 39 92.053 8.753 6.925 1.00 1.00 C ATOM 595 CG LYS A 39 92.651 10.153 6.774 1.00 1.00 C ATOM 596 CD LYS A 39 91.672 11.048 6.011 1.00 1.00 C ATOM 597 CE LYS A 39 92.401 12.298 5.516 1.00 1.00 C ATOM 598 NZ LYS A 39 93.217 11.955 4.318 1.00 1.00 N ATOM 0 H LYS A 39 90.407 8.309 4.353 1.00 1.00 H new ATOM 0 HA LYS A 39 92.635 8.637 4.844 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.017 8.823 7.256 1.00 1.00 H new ATOM 0 HB3 LYS A 39 92.595 8.196 7.689 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.860 10.578 7.756 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.601 10.099 6.242 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.248 10.504 5.167 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.842 11.331 6.658 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.681 13.078 5.268 1.00 1.00 H new ATOM 0 HE3 LYS A 39 93.041 12.695 6.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 93.491 12.828 3.823 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 94.072 11.442 4.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 92.659 11.355 3.678 1.00 1.00 H new ATOM 612 N SER A 40 92.474 5.642 5.138 1.00 1.00 N ATOM 613 CA SER A 40 93.211 4.354 5.277 1.00 1.00 C ATOM 614 C SER A 40 92.540 3.278 4.420 1.00 1.00 C ATOM 615 O SER A 40 91.449 2.828 4.713 1.00 1.00 O ATOM 616 CB SER A 40 93.201 3.917 6.743 1.00 1.00 C ATOM 617 OG SER A 40 91.906 4.130 7.287 1.00 1.00 O ATOM 0 H SER A 40 91.640 5.607 4.552 1.00 1.00 H new ATOM 0 HA SER A 40 94.240 4.490 4.943 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.473 2.864 6.823 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.943 4.482 7.308 1.00 1.00 H new ATOM 0 HG SER A 40 91.719 5.091 7.321 1.00 1.00 H new ATOM 623 N LYS A 41 93.190 2.856 3.366 1.00 1.00 N ATOM 624 CA LYS A 41 92.604 1.802 2.486 1.00 1.00 C ATOM 625 C LYS A 41 93.507 0.564 2.516 1.00 1.00 C ATOM 626 O LYS A 41 94.347 0.383 1.658 1.00 1.00 O ATOM 627 CB LYS A 41 92.514 2.328 1.048 1.00 1.00 C ATOM 628 CG LYS A 41 91.898 1.258 0.145 1.00 1.00 C ATOM 629 CD LYS A 41 92.897 0.876 -0.949 1.00 1.00 C ATOM 630 CE LYS A 41 92.898 1.951 -2.038 1.00 1.00 C ATOM 631 NZ LYS A 41 91.663 1.825 -2.862 1.00 1.00 N ATOM 0 H LYS A 41 94.106 3.198 3.076 1.00 1.00 H new ATOM 0 HA LYS A 41 91.607 1.541 2.841 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.909 3.234 1.019 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.507 2.596 0.686 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.633 0.379 0.733 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.977 1.631 -0.303 1.00 1.00 H new ATOM 0 HD2 LYS A 41 93.896 0.773 -0.524 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.631 -0.090 -1.377 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.947 2.942 -1.586 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.781 1.844 -2.668 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 91.812 2.285 -3.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 91.445 0.819 -3.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.869 2.283 -2.370 1.00 1.00 H new ATOM 645 N PRO A 42 93.341 -0.282 3.500 1.00 1.00 N ATOM 646 CA PRO A 42 94.161 -1.518 3.637 1.00 1.00 C ATOM 647 C PRO A 42 93.707 -2.628 2.682 1.00 1.00 C ATOM 648 O PRO A 42 92.590 -2.626 2.202 1.00 1.00 O ATOM 649 CB PRO A 42 93.943 -1.935 5.094 1.00 1.00 C ATOM 650 CG PRO A 42 92.604 -1.387 5.465 1.00 1.00 C ATOM 651 CD PRO A 42 92.359 -0.154 4.589 1.00 1.00 C ATOM 0 HA PRO A 42 95.207 -1.342 3.387 1.00 1.00 H new ATOM 0 HB2 PRO A 42 93.967 -3.020 5.201 1.00 1.00 H new ATOM 0 HB3 PRO A 42 94.725 -1.534 5.739 1.00 1.00 H new ATOM 0 HG2 PRO A 42 91.826 -2.133 5.305 1.00 1.00 H new ATOM 0 HG3 PRO A 42 92.577 -1.120 6.521 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.339 -0.135 4.205 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.505 0.769 5.151 1.00 1.00 H new ATOM 659 N PRO A 43 94.571 -3.573 2.414 1.00 1.00 N ATOM 660 CA PRO A 43 94.263 -4.717 1.507 1.00 1.00 C ATOM 661 C PRO A 43 93.257 -5.688 2.134 1.00 1.00 C ATOM 662 O PRO A 43 92.991 -5.636 3.318 1.00 1.00 O ATOM 663 CB PRO A 43 95.621 -5.398 1.301 1.00 1.00 C ATOM 664 CG PRO A 43 96.424 -5.036 2.505 1.00 1.00 C ATOM 665 CD PRO A 43 95.939 -3.656 2.952 1.00 1.00 C ATOM 0 HA PRO A 43 93.803 -4.388 0.575 1.00 1.00 H new ATOM 0 HB2 PRO A 43 95.510 -6.479 1.211 1.00 1.00 H new ATOM 0 HB3 PRO A 43 96.102 -5.050 0.387 1.00 1.00 H new ATOM 0 HG2 PRO A 43 96.287 -5.771 3.298 1.00 1.00 H new ATOM 0 HG3 PRO A 43 97.488 -5.016 2.270 1.00 1.00 H new ATOM 0 HD2 PRO A 43 95.948 -3.561 4.038 1.00 1.00 H new ATOM 0 HD3 PRO A 43 96.573 -2.862 2.557 1.00 1.00 H new ATOM 673 N LYS A 44 92.698 -6.569 1.345 1.00 1.00 N ATOM 674 CA LYS A 44 91.704 -7.553 1.875 1.00 1.00 C ATOM 675 C LYS A 44 90.847 -6.908 2.970 1.00 1.00 C ATOM 676 O LYS A 44 90.130 -5.958 2.726 1.00 1.00 O ATOM 677 CB LYS A 44 92.429 -8.785 2.437 1.00 1.00 C ATOM 678 CG LYS A 44 93.605 -8.339 3.308 1.00 1.00 C ATOM 679 CD LYS A 44 94.294 -9.568 3.904 1.00 1.00 C ATOM 680 CE LYS A 44 95.478 -9.969 3.022 1.00 1.00 C ATOM 681 NZ LYS A 44 95.073 -9.905 1.589 1.00 1.00 N ATOM 0 H LYS A 44 92.889 -6.650 0.346 1.00 1.00 H new ATOM 0 HA LYS A 44 91.054 -7.864 1.058 1.00 1.00 H new ATOM 0 HB2 LYS A 44 91.738 -9.389 3.024 1.00 1.00 H new ATOM 0 HB3 LYS A 44 92.786 -9.413 1.620 1.00 1.00 H new ATOM 0 HG2 LYS A 44 94.315 -7.764 2.713 1.00 1.00 H new ATOM 0 HG3 LYS A 44 93.253 -7.684 4.105 1.00 1.00 H new ATOM 0 HD2 LYS A 44 94.638 -9.350 4.915 1.00 1.00 H new ATOM 0 HD3 LYS A 44 93.587 -10.394 3.979 1.00 1.00 H new ATOM 0 HE2 LYS A 44 96.322 -9.303 3.203 1.00 1.00 H new ATOM 0 HE3 LYS A 44 95.808 -10.977 3.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 95.842 -10.274 0.994 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 94.218 -10.479 1.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 94.876 -8.918 1.328 1.00 1.00 H new ATOM 695 N LYS A 45 90.912 -7.419 4.173 1.00 1.00 N ATOM 696 CA LYS A 45 90.098 -6.839 5.284 1.00 1.00 C ATOM 697 C LYS A 45 91.024 -6.299 6.376 1.00 1.00 C ATOM 698 O LYS A 45 91.989 -6.933 6.754 1.00 1.00 O ATOM 699 CB LYS A 45 89.199 -7.927 5.877 1.00 1.00 C ATOM 700 CG LYS A 45 90.001 -9.220 6.038 1.00 1.00 C ATOM 701 CD LYS A 45 89.181 -10.233 6.841 1.00 1.00 C ATOM 702 CE LYS A 45 89.877 -11.595 6.807 1.00 1.00 C ATOM 703 NZ LYS A 45 88.995 -12.619 7.434 1.00 1.00 N ATOM 0 H LYS A 45 91.495 -8.214 4.434 1.00 1.00 H new ATOM 0 HA LYS A 45 89.485 -6.026 4.894 1.00 1.00 H new ATOM 0 HB2 LYS A 45 88.810 -7.605 6.843 1.00 1.00 H new ATOM 0 HB3 LYS A 45 88.340 -8.098 5.228 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.249 -9.631 5.059 1.00 1.00 H new ATOM 0 HG3 LYS A 45 90.944 -9.015 6.546 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.072 -9.894 7.871 1.00 1.00 H new ATOM 0 HD3 LYS A 45 88.177 -10.315 6.425 1.00 1.00 H new ATOM 0 HE2 LYS A 45 90.102 -11.875 5.778 1.00 1.00 H new ATOM 0 HE3 LYS A 45 90.827 -11.543 7.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 89.468 -13.545 7.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.801 -12.353 8.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 88.099 -12.674 6.908 1.00 1.00 H new ATOM 717 N GLY A 46 90.732 -5.132 6.888 1.00 1.00 N ATOM 718 CA GLY A 46 91.585 -4.542 7.963 1.00 1.00 C ATOM 719 C GLY A 46 90.800 -4.524 9.275 1.00 1.00 C ATOM 720 O GLY A 46 90.693 -5.522 9.959 1.00 1.00 O ATOM 0 H GLY A 46 89.936 -4.559 6.607 1.00 1.00 H new ATOM 0 HA2 GLY A 46 92.499 -5.125 8.080 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.885 -3.530 7.691 1.00 1.00 H new ATOM 724 N VAL A 47 90.246 -3.397 9.630 1.00 1.00 N ATOM 725 CA VAL A 47 89.464 -3.317 10.895 1.00 1.00 C ATOM 726 C VAL A 47 88.201 -4.171 10.762 1.00 1.00 C ATOM 727 O VAL A 47 88.207 -5.209 10.132 1.00 1.00 O ATOM 728 CB VAL A 47 89.075 -1.861 11.163 1.00 1.00 C ATOM 729 CG1 VAL A 47 90.339 -1.020 11.348 1.00 1.00 C ATOM 730 CG2 VAL A 47 88.274 -1.322 9.976 1.00 1.00 C ATOM 0 H VAL A 47 90.301 -2.528 9.098 1.00 1.00 H new ATOM 0 HA VAL A 47 90.068 -3.687 11.724 1.00 1.00 H new ATOM 0 HB VAL A 47 88.468 -1.808 12.067 1.00 1.00 H new ATOM 0 HG11 VAL A 47 90.062 0.017 11.539 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.911 -1.404 12.193 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.946 -1.073 10.445 1.00 1.00 H new ATOM 0 HG21 VAL A 47 87.996 -0.285 10.165 1.00 1.00 H new ATOM 0 HG22 VAL A 47 88.882 -1.376 9.073 1.00 1.00 H new ATOM 0 HG23 VAL A 47 87.373 -1.921 9.843 1.00 1.00 H new ATOM 740 N GLN A 48 87.117 -3.742 11.349 1.00 1.00 N ATOM 741 CA GLN A 48 85.855 -4.528 11.257 1.00 1.00 C ATOM 742 C GLN A 48 84.663 -3.571 11.314 1.00 1.00 C ATOM 743 O GLN A 48 83.644 -3.866 11.907 1.00 1.00 O ATOM 744 CB GLN A 48 85.783 -5.511 12.427 1.00 1.00 C ATOM 745 CG GLN A 48 85.882 -4.742 13.746 1.00 1.00 C ATOM 746 CD GLN A 48 85.965 -5.732 14.909 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.977 -6.331 15.285 1.00 1.00 O ATOM 748 NE2 GLN A 48 87.112 -5.930 15.500 1.00 1.00 N ATOM 0 H GLN A 48 87.051 -2.879 11.889 1.00 1.00 H new ATOM 0 HA GLN A 48 85.832 -5.083 10.319 1.00 1.00 H new ATOM 0 HB2 GLN A 48 84.848 -6.070 12.389 1.00 1.00 H new ATOM 0 HB3 GLN A 48 86.592 -6.238 12.356 1.00 1.00 H new ATOM 0 HG2 GLN A 48 86.762 -4.098 13.739 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.014 -4.094 13.867 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.942 -5.427 15.185 1.00 1.00 H new ATOM 0 HE22 GLN A 48 87.179 -6.587 16.277 1.00 1.00 H new ATOM 757 N GLY A 49 84.786 -2.425 10.701 1.00 1.00 N ATOM 758 CA GLY A 49 83.667 -1.441 10.715 1.00 1.00 C ATOM 759 C GLY A 49 84.014 -0.263 9.801 1.00 1.00 C ATOM 760 O GLY A 49 83.147 0.442 9.326 1.00 1.00 O ATOM 0 H GLY A 49 85.617 -2.127 10.189 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.746 -1.917 10.379 1.00 1.00 H new ATOM 0 HA3 GLY A 49 83.491 -1.088 11.731 1.00 1.00 H new ATOM 764 N CYS A 50 85.278 -0.047 9.548 1.00 1.00 N ATOM 765 CA CYS A 50 85.681 1.082 8.662 1.00 1.00 C ATOM 766 C CYS A 50 85.183 2.403 9.255 1.00 1.00 C ATOM 767 O CYS A 50 85.245 3.439 8.625 1.00 1.00 O ATOM 768 CB CYS A 50 85.068 0.883 7.273 1.00 1.00 C ATOM 769 SG CYS A 50 85.053 -0.881 6.866 1.00 1.00 S ATOM 0 H CYS A 50 86.048 -0.604 9.917 1.00 1.00 H new ATOM 0 HA CYS A 50 86.768 1.109 8.581 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.053 1.281 7.251 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.642 1.434 6.528 1.00 1.00 H new ATOM 774 N GLY A 51 84.687 2.374 10.461 1.00 1.00 N ATOM 775 CA GLY A 51 84.181 3.628 11.089 1.00 1.00 C ATOM 776 C GLY A 51 85.354 4.541 11.447 1.00 1.00 C ATOM 777 O GLY A 51 85.772 4.611 12.585 1.00 1.00 O ATOM 0 H GLY A 51 84.610 1.537 11.039 1.00 1.00 H new ATOM 0 HA2 GLY A 51 83.505 4.141 10.404 1.00 1.00 H new ATOM 0 HA3 GLY A 51 83.607 3.391 11.985 1.00 1.00 H new ATOM 781 N ASP A 52 85.886 5.248 10.487 1.00 1.00 N ATOM 782 CA ASP A 52 87.026 6.159 10.785 1.00 1.00 C ATOM 783 C ASP A 52 86.633 7.091 11.931 1.00 1.00 C ATOM 784 O ASP A 52 87.454 7.796 12.483 1.00 1.00 O ATOM 785 CB ASP A 52 87.360 6.990 9.544 1.00 1.00 C ATOM 786 CG ASP A 52 88.557 7.895 9.843 1.00 1.00 C ATOM 787 OD1 ASP A 52 89.350 7.532 10.696 1.00 1.00 O ATOM 788 OD2 ASP A 52 88.659 8.936 9.215 1.00 1.00 O ATOM 0 H ASP A 52 85.582 5.234 9.514 1.00 1.00 H new ATOM 0 HA ASP A 52 87.899 5.572 11.069 1.00 1.00 H new ATOM 0 HB2 ASP A 52 87.588 6.334 8.704 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.499 7.592 9.254 1.00 1.00 H new ATOM 793 N ASP A 53 85.379 7.097 12.294 1.00 1.00 N ATOM 794 CA ASP A 53 84.925 7.978 13.405 1.00 1.00 C ATOM 795 C ASP A 53 83.600 7.450 13.961 1.00 1.00 C ATOM 796 O ASP A 53 83.576 6.640 14.866 1.00 1.00 O ATOM 797 CB ASP A 53 84.726 9.404 12.882 1.00 1.00 C ATOM 798 CG ASP A 53 86.088 10.030 12.575 1.00 1.00 C ATOM 799 OD1 ASP A 53 86.698 10.552 13.494 1.00 1.00 O ATOM 800 OD2 ASP A 53 86.497 9.978 11.427 1.00 1.00 O ATOM 0 H ASP A 53 84.648 6.528 11.867 1.00 1.00 H new ATOM 0 HA ASP A 53 85.677 7.984 14.194 1.00 1.00 H new ATOM 0 HB2 ASP A 53 84.109 9.390 11.983 1.00 1.00 H new ATOM 0 HB3 ASP A 53 84.197 10.004 13.623 1.00 1.00 H new ATOM 805 N ILE A 54 82.499 7.904 13.424 1.00 1.00 N ATOM 806 CA ILE A 54 81.169 7.434 13.915 1.00 1.00 C ATOM 807 C ILE A 54 80.267 7.123 12.714 1.00 1.00 C ATOM 808 O ILE A 54 79.679 8.013 12.135 1.00 1.00 O ATOM 809 CB ILE A 54 80.520 8.538 14.751 1.00 1.00 C ATOM 810 CG1 ILE A 54 81.363 8.790 16.003 1.00 1.00 C ATOM 811 CG2 ILE A 54 79.112 8.105 15.164 1.00 1.00 C ATOM 812 CD1 ILE A 54 80.880 10.066 16.696 1.00 1.00 C ATOM 0 H ILE A 54 82.463 8.583 12.663 1.00 1.00 H new ATOM 0 HA ILE A 54 81.300 6.538 14.522 1.00 1.00 H new ATOM 0 HB ILE A 54 80.460 9.453 14.161 1.00 1.00 H new ATOM 0 HG12 ILE A 54 81.285 7.942 16.684 1.00 1.00 H new ATOM 0 HG13 ILE A 54 82.415 8.886 15.733 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.649 8.892 15.760 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.511 7.924 14.273 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.171 7.190 15.754 1.00 1.00 H new ATOM 0 HD11 ILE A 54 81.481 10.245 17.588 1.00 1.00 H new ATOM 0 HD12 ILE A 54 80.981 10.911 16.015 1.00 1.00 H new ATOM 0 HD13 ILE A 54 79.834 9.952 16.980 1.00 1.00 H new ATOM 824 N PRO A 55 80.158 5.872 12.336 1.00 1.00 N ATOM 825 CA PRO A 55 79.315 5.455 11.183 1.00 1.00 C ATOM 826 C PRO A 55 77.842 5.276 11.570 1.00 1.00 C ATOM 827 O PRO A 55 77.487 5.300 12.732 1.00 1.00 O ATOM 828 CB PRO A 55 79.930 4.119 10.772 1.00 1.00 C ATOM 829 CG PRO A 55 80.478 3.542 12.037 1.00 1.00 C ATOM 830 CD PRO A 55 80.826 4.718 12.958 1.00 1.00 C ATOM 0 HA PRO A 55 79.306 6.201 10.388 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.183 3.460 10.328 1.00 1.00 H new ATOM 0 HB3 PRO A 55 80.715 4.258 10.029 1.00 1.00 H new ATOM 0 HG2 PRO A 55 79.746 2.887 12.510 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.362 2.938 11.833 1.00 1.00 H new ATOM 0 HD2 PRO A 55 80.467 4.549 13.973 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.904 4.868 13.022 1.00 1.00 H new ATOM 838 N GLY A 56 76.984 5.094 10.602 1.00 1.00 N ATOM 839 CA GLY A 56 75.537 4.909 10.909 1.00 1.00 C ATOM 840 C GLY A 56 74.969 6.193 11.517 1.00 1.00 C ATOM 841 O GLY A 56 73.994 6.168 12.242 1.00 1.00 O ATOM 0 H GLY A 56 77.224 5.066 9.611 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.992 4.654 10.000 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.406 4.078 11.602 1.00 1.00 H new ATOM 845 N MET A 57 75.569 7.315 11.228 1.00 1.00 N ATOM 846 CA MET A 57 75.061 8.599 11.792 1.00 1.00 C ATOM 847 C MET A 57 73.974 9.167 10.876 1.00 1.00 C ATOM 848 O MET A 57 73.720 10.353 10.872 1.00 1.00 O ATOM 849 CB MET A 57 76.214 9.602 11.903 1.00 1.00 C ATOM 850 CG MET A 57 76.843 9.818 10.525 1.00 1.00 C ATOM 851 SD MET A 57 77.974 8.454 10.157 1.00 1.00 S ATOM 852 CE MET A 57 78.687 9.152 8.647 1.00 1.00 C ATOM 0 H MET A 57 76.388 7.399 10.626 1.00 1.00 H new ATOM 0 HA MET A 57 74.642 8.419 12.782 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.848 10.549 12.299 1.00 1.00 H new ATOM 0 HB3 MET A 57 76.964 9.233 12.602 1.00 1.00 H new ATOM 0 HG2 MET A 57 76.065 9.875 9.763 1.00 1.00 H new ATOM 0 HG3 MET A 57 77.380 10.766 10.503 1.00 1.00 H new ATOM 0 HE1 MET A 57 78.931 8.347 7.954 1.00 1.00 H new ATOM 0 HE2 MET A 57 77.967 9.825 8.182 1.00 1.00 H new ATOM 0 HE3 MET A 57 79.593 9.705 8.894 1.00 1.00 H new ATOM 862 N GLU A 58 73.338 8.325 10.100 1.00 1.00 N ATOM 863 CA GLU A 58 72.266 8.796 9.168 1.00 1.00 C ATOM 864 C GLU A 58 72.911 9.363 7.898 1.00 1.00 C ATOM 865 O GLU A 58 72.240 9.840 7.005 1.00 1.00 O ATOM 866 CB GLU A 58 71.381 9.858 9.863 1.00 1.00 C ATOM 867 CG GLU A 58 71.796 11.260 9.414 1.00 1.00 C ATOM 868 CD GLU A 58 70.978 11.668 8.188 1.00 1.00 C ATOM 869 OE1 GLU A 58 69.765 11.545 8.242 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.577 12.097 7.216 1.00 1.00 O ATOM 0 H GLU A 58 73.517 7.321 10.072 1.00 1.00 H new ATOM 0 HA GLU A 58 71.627 7.957 8.892 1.00 1.00 H new ATOM 0 HB2 GLU A 58 70.333 9.685 9.620 1.00 1.00 H new ATOM 0 HB3 GLU A 58 71.476 9.771 10.945 1.00 1.00 H new ATOM 0 HG2 GLU A 58 71.639 11.974 10.223 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.860 11.277 9.176 1.00 1.00 H new ATOM 877 N GLY A 59 74.213 9.310 7.815 1.00 1.00 N ATOM 878 CA GLY A 59 74.911 9.843 6.610 1.00 1.00 C ATOM 879 C GLY A 59 74.206 9.358 5.340 1.00 1.00 C ATOM 880 O GLY A 59 74.274 9.990 4.305 1.00 1.00 O ATOM 0 H GLY A 59 74.825 8.920 8.532 1.00 1.00 H new ATOM 0 HA2 GLY A 59 74.921 10.933 6.637 1.00 1.00 H new ATOM 0 HA3 GLY A 59 75.951 9.515 6.607 1.00 1.00 H new ATOM 884 N CYS A 60 73.532 8.242 5.407 1.00 1.00 N ATOM 885 CA CYS A 60 72.830 7.725 4.198 1.00 1.00 C ATOM 886 C CYS A 60 71.415 8.307 4.141 1.00 1.00 C ATOM 887 O CYS A 60 70.566 7.984 4.948 1.00 1.00 O ATOM 888 CB CYS A 60 72.755 6.198 4.266 1.00 1.00 C ATOM 889 SG CYS A 60 71.681 5.704 5.637 1.00 1.00 S ATOM 0 H CYS A 60 73.437 7.667 6.244 1.00 1.00 H new ATOM 0 HA CYS A 60 73.379 8.021 3.304 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.369 5.800 3.327 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.752 5.780 4.403 1.00 1.00 H new ATOM 894 N GLY A 61 71.154 9.166 3.194 1.00 1.00 N ATOM 895 CA GLY A 61 69.795 9.772 3.086 1.00 1.00 C ATOM 896 C GLY A 61 68.960 8.989 2.071 1.00 1.00 C ATOM 897 O GLY A 61 68.139 8.170 2.429 1.00 1.00 O ATOM 0 H GLY A 61 71.823 9.475 2.489 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.304 9.763 4.059 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.875 10.815 2.779 1.00 1.00 H new ATOM 901 N THR A 62 69.158 9.238 0.805 1.00 1.00 N ATOM 902 CA THR A 62 68.369 8.512 -0.231 1.00 1.00 C ATOM 903 C THR A 62 68.840 7.059 -0.322 1.00 1.00 C ATOM 904 O THR A 62 69.764 6.741 -1.045 1.00 1.00 O ATOM 905 CB THR A 62 68.561 9.193 -1.589 1.00 1.00 C ATOM 906 OG1 THR A 62 69.834 8.846 -2.114 1.00 1.00 O ATOM 907 CG2 THR A 62 68.473 10.711 -1.418 1.00 1.00 C ATOM 0 H THR A 62 69.832 9.913 0.443 1.00 1.00 H new ATOM 0 HA THR A 62 67.315 8.532 0.044 1.00 1.00 H new ATOM 0 HB THR A 62 67.782 8.862 -2.276 1.00 1.00 H new ATOM 0 HG1 THR A 62 70.277 8.216 -1.508 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.610 11.195 -2.385 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.495 10.976 -1.015 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.251 11.046 -0.732 1.00 1.00 H new ATOM 915 N ASP A 63 68.208 6.171 0.399 1.00 1.00 N ATOM 916 CA ASP A 63 68.619 4.739 0.341 1.00 1.00 C ATOM 917 C ASP A 63 68.304 4.184 -1.048 1.00 1.00 C ATOM 918 O ASP A 63 68.499 3.016 -1.320 1.00 1.00 O ATOM 919 CB ASP A 63 67.852 3.938 1.396 1.00 1.00 C ATOM 920 CG ASP A 63 66.348 4.089 1.158 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.952 5.116 0.633 1.00 1.00 O ATOM 922 OD2 ASP A 63 65.619 3.174 1.504 1.00 1.00 O ATOM 0 H ASP A 63 67.428 6.375 1.023 1.00 1.00 H new ATOM 0 HA ASP A 63 69.688 4.658 0.537 1.00 1.00 H new ATOM 0 HB2 ASP A 63 68.135 2.887 1.346 1.00 1.00 H new ATOM 0 HB3 ASP A 63 68.110 4.291 2.394 1.00 1.00 H new ATOM 927 N ILE A 64 67.820 5.020 -1.929 1.00 1.00 N ATOM 928 CA ILE A 64 67.489 4.561 -3.310 1.00 1.00 C ATOM 929 C ILE A 64 68.234 5.442 -4.317 1.00 1.00 C ATOM 930 O ILE A 64 68.544 5.022 -5.414 1.00 1.00 O ATOM 931 CB ILE A 64 65.975 4.675 -3.537 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.268 3.508 -2.844 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.678 4.631 -5.037 1.00 1.00 C ATOM 934 CD1 ILE A 64 63.777 3.823 -2.707 1.00 1.00 C ATOM 0 H ILE A 64 67.639 6.008 -1.749 1.00 1.00 H new ATOM 0 HA ILE A 64 67.791 3.522 -3.440 1.00 1.00 H new ATOM 0 HB ILE A 64 65.616 5.617 -3.123 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.406 2.592 -3.419 1.00 1.00 H new ATOM 0 HG13 ILE A 64 65.706 3.336 -1.861 1.00 1.00 H new ATOM 0 HG21 ILE A 64 64.603 4.712 -5.198 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.182 5.461 -5.532 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.037 3.689 -5.451 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.273 2.992 -2.213 1.00 1.00 H new ATOM 0 HD12 ILE A 64 63.649 4.728 -2.114 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.345 3.973 -3.696 1.00 1.00 H new ATOM 946 N THR A 65 68.527 6.660 -3.948 1.00 1.00 N ATOM 947 CA THR A 65 69.256 7.567 -4.879 1.00 1.00 C ATOM 948 C THR A 65 68.571 7.554 -6.248 1.00 1.00 C ATOM 949 O THR A 65 69.179 7.813 -7.266 1.00 1.00 O ATOM 950 CB THR A 65 70.704 7.088 -5.018 1.00 1.00 C ATOM 951 OG1 THR A 65 71.368 7.226 -3.770 1.00 1.00 O ATOM 952 CG2 THR A 65 71.422 7.927 -6.076 1.00 1.00 C ATOM 0 H THR A 65 68.293 7.066 -3.042 1.00 1.00 H new ATOM 0 HA THR A 65 69.246 8.583 -4.485 1.00 1.00 H new ATOM 0 HB THR A 65 70.713 6.041 -5.321 1.00 1.00 H new ATOM 0 HG1 THR A 65 70.852 7.823 -3.189 1.00 1.00 H new ATOM 0 HG21 THR A 65 72.452 7.585 -6.174 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.912 7.820 -7.033 1.00 1.00 H new ATOM 0 HG23 THR A 65 71.414 8.975 -5.776 1.00 1.00 H new ATOM 960 N VAL A 66 67.306 7.253 -6.273 1.00 1.00 N ATOM 961 CA VAL A 66 66.561 7.216 -7.565 1.00 1.00 C ATOM 962 C VAL A 66 67.102 6.084 -8.442 1.00 1.00 C ATOM 963 O VAL A 66 66.366 5.459 -9.181 1.00 1.00 O ATOM 964 CB VAL A 66 66.718 8.553 -8.297 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.636 8.678 -9.372 1.00 1.00 C ATOM 966 CG2 VAL A 66 66.574 9.701 -7.296 1.00 1.00 C ATOM 0 H VAL A 66 66.749 7.029 -5.449 1.00 1.00 H new ATOM 0 HA VAL A 66 65.505 7.041 -7.361 1.00 1.00 H new ATOM 0 HB VAL A 66 67.702 8.597 -8.765 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.748 9.629 -9.892 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.736 7.860 -10.086 1.00 1.00 H new ATOM 0 HG13 VAL A 66 64.652 8.634 -8.905 1.00 1.00 H new ATOM 0 HG21 VAL A 66 66.686 10.653 -7.815 1.00 1.00 H new ATOM 0 HG22 VAL A 66 65.590 9.655 -6.829 1.00 1.00 H new ATOM 0 HG23 VAL A 66 67.344 9.614 -6.529 1.00 1.00 H new ATOM 976 N ILE A 67 68.379 5.809 -8.368 1.00 1.00 N ATOM 977 CA ILE A 67 68.957 4.714 -9.198 1.00 1.00 C ATOM 978 C ILE A 67 69.874 3.847 -8.337 1.00 1.00 C ATOM 979 O ILE A 67 71.055 4.104 -8.211 1.00 1.00 O ATOM 980 CB ILE A 67 69.763 5.309 -10.352 1.00 1.00 C ATOM 981 CG1 ILE A 67 68.830 6.106 -11.266 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.418 4.182 -11.152 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.661 6.910 -12.269 1.00 1.00 C ATOM 0 H ILE A 67 69.045 6.296 -7.768 1.00 1.00 H new ATOM 0 HA ILE A 67 68.147 4.105 -9.598 1.00 1.00 H new ATOM 0 HB ILE A 67 70.535 5.968 -9.954 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.157 5.431 -11.794 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.208 6.776 -10.673 1.00 1.00 H new ATOM 0 HG21 ILE A 67 70.993 4.607 -11.975 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.082 3.612 -10.502 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.647 3.523 -11.550 1.00 1.00 H new ATOM 0 HD11 ILE A 67 68.996 7.478 -12.920 1.00 1.00 H new ATOM 0 HD12 ILE A 67 70.316 7.596 -11.732 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.264 6.229 -12.870 1.00 1.00 H new ATOM 995 N CYS A 68 69.333 2.812 -7.756 1.00 1.00 N ATOM 996 CA CYS A 68 70.155 1.903 -6.908 1.00 1.00 C ATOM 997 C CYS A 68 70.357 0.580 -7.659 1.00 1.00 C ATOM 998 O CYS A 68 69.449 0.085 -8.296 1.00 1.00 O ATOM 999 CB CYS A 68 69.417 1.651 -5.587 1.00 1.00 C ATOM 1000 SG CYS A 68 70.591 1.075 -4.336 1.00 1.00 S ATOM 0 H CYS A 68 68.349 2.555 -7.833 1.00 1.00 H new ATOM 0 HA CYS A 68 71.125 2.352 -6.696 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.931 2.567 -5.250 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.632 0.909 -5.733 1.00 1.00 H new ATOM 1005 N PRO A 69 71.543 0.014 -7.616 1.00 1.00 N ATOM 1006 CA PRO A 69 71.863 -1.249 -8.325 1.00 1.00 C ATOM 1007 C PRO A 69 70.647 -2.152 -8.565 1.00 1.00 C ATOM 1008 O PRO A 69 70.480 -2.695 -9.639 1.00 1.00 O ATOM 1009 CB PRO A 69 72.866 -1.903 -7.384 1.00 1.00 C ATOM 1010 CG PRO A 69 73.619 -0.755 -6.782 1.00 1.00 C ATOM 1011 CD PRO A 69 72.719 0.489 -6.874 1.00 1.00 C ATOM 0 HA PRO A 69 72.238 -1.070 -9.333 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.364 -2.494 -6.618 1.00 1.00 H new ATOM 0 HB3 PRO A 69 73.533 -2.577 -7.921 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.875 -0.967 -5.744 1.00 1.00 H new ATOM 0 HG3 PRO A 69 74.556 -0.590 -7.314 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.446 0.860 -5.886 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.218 1.306 -7.395 1.00 1.00 H new ATOM 1019 N TRP A 70 69.793 -2.325 -7.593 1.00 1.00 N ATOM 1020 CA TRP A 70 68.608 -3.205 -7.820 1.00 1.00 C ATOM 1021 C TRP A 70 67.669 -2.551 -8.843 1.00 1.00 C ATOM 1022 O TRP A 70 66.478 -2.794 -8.847 1.00 1.00 O ATOM 1023 CB TRP A 70 67.851 -3.458 -6.500 1.00 1.00 C ATOM 1024 CG TRP A 70 68.442 -2.619 -5.413 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.726 -2.683 -4.994 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.797 -1.593 -4.602 1.00 1.00 C ATOM 1027 NE1 TRP A 70 69.912 -1.764 -3.978 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.754 -1.067 -3.699 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.492 -1.074 -4.562 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 68.423 -0.060 -2.789 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.156 -0.063 -3.649 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.118 0.443 -2.764 1.00 1.00 C ATOM 0 H TRP A 70 69.860 -1.904 -6.666 1.00 1.00 H new ATOM 0 HA TRP A 70 68.956 -4.164 -8.204 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.795 -3.219 -6.624 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.910 -4.513 -6.232 1.00 1.00 H new ATOM 0 HD1 TRP A 70 70.483 -3.344 -5.389 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.798 -1.619 -3.493 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.742 -1.456 -5.239 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 69.169 0.327 -2.110 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 65.149 0.328 -3.628 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.852 1.221 -2.063 1.00 1.00 H new ATOM 1043 N GLU A 71 68.192 -1.730 -9.718 1.00 1.00 N ATOM 1044 CA GLU A 71 67.322 -1.077 -10.739 1.00 1.00 C ATOM 1045 C GLU A 71 68.087 -0.957 -12.060 1.00 1.00 C ATOM 1046 O GLU A 71 67.775 -1.619 -13.030 1.00 1.00 O ATOM 1047 CB GLU A 71 66.918 0.317 -10.252 1.00 1.00 C ATOM 1048 CG GLU A 71 66.036 0.188 -9.008 1.00 1.00 C ATOM 1049 CD GLU A 71 65.538 1.572 -8.589 1.00 1.00 C ATOM 1050 OE1 GLU A 71 65.353 2.403 -9.462 1.00 1.00 O ATOM 1051 OE2 GLU A 71 65.351 1.777 -7.401 1.00 1.00 O ATOM 0 H GLU A 71 69.181 -1.485 -9.769 1.00 1.00 H new ATOM 0 HA GLU A 71 66.427 -1.680 -10.892 1.00 1.00 H new ATOM 0 HB2 GLU A 71 67.806 0.905 -10.021 1.00 1.00 H new ATOM 0 HB3 GLU A 71 66.381 0.847 -11.038 1.00 1.00 H new ATOM 0 HG2 GLU A 71 65.190 -0.467 -9.216 1.00 1.00 H new ATOM 0 HG3 GLU A 71 66.600 -0.268 -8.195 1.00 1.00 H new ATOM 1058 N ALA A 72 69.083 -0.115 -12.107 1.00 1.00 N ATOM 1059 CA ALA A 72 69.862 0.049 -13.368 1.00 1.00 C ATOM 1060 C ALA A 72 70.840 -1.118 -13.543 1.00 1.00 C ATOM 1061 O ALA A 72 70.565 -2.074 -14.241 1.00 1.00 O ATOM 1062 CB ALA A 72 70.645 1.362 -13.312 1.00 1.00 C ATOM 0 H ALA A 72 69.391 0.466 -11.328 1.00 1.00 H new ATOM 0 HA ALA A 72 69.172 0.063 -14.212 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.216 1.485 -14.233 1.00 1.00 H new ATOM 0 HB2 ALA A 72 69.951 2.195 -13.201 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.327 1.343 -12.462 1.00 1.00 H new ATOM 1068 N CYS A 73 71.989 -1.037 -12.927 1.00 1.00 N ATOM 1069 CA CYS A 73 72.998 -2.126 -13.068 1.00 1.00 C ATOM 1070 C CYS A 73 72.383 -3.465 -12.651 1.00 1.00 C ATOM 1071 O CYS A 73 72.302 -4.389 -13.434 1.00 1.00 O ATOM 1072 CB CYS A 73 74.203 -1.821 -12.178 1.00 1.00 C ATOM 1073 SG CYS A 73 74.933 -0.241 -12.673 1.00 1.00 S ATOM 0 H CYS A 73 72.273 -0.260 -12.330 1.00 1.00 H new ATOM 0 HA CYS A 73 73.316 -2.187 -14.109 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.896 -1.780 -11.133 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.942 -2.618 -12.262 1.00 1.00 H new ATOM 1078 N ASN A 74 71.959 -3.582 -11.421 1.00 1.00 N ATOM 1079 CA ASN A 74 71.358 -4.865 -10.953 1.00 1.00 C ATOM 1080 C ASN A 74 72.277 -6.034 -11.328 1.00 1.00 C ATOM 1081 O ASN A 74 71.867 -7.178 -11.339 1.00 1.00 O ATOM 1082 CB ASN A 74 69.977 -5.053 -11.598 1.00 1.00 C ATOM 1083 CG ASN A 74 70.140 -5.636 -13.003 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.920 -4.877 -14.041 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 70.472 -6.795 -13.157 1.00 1.00 N flip ATOM 0 H ASN A 74 72.003 -2.843 -10.719 1.00 1.00 H new ATOM 0 HA ASN A 74 71.244 -4.837 -9.869 1.00 1.00 H new ATOM 0 HB2 ASN A 74 69.367 -5.718 -10.986 1.00 1.00 H new ATOM 0 HB3 ASN A 74 69.455 -4.097 -11.648 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.644 -7.388 -12.345 1.00 1.00 H new ATOM 0 HD22 ASN A 74 70.579 -7.174 -14.098 1.00 1.00 H new ATOM 1092 N HIS A 75 73.517 -5.756 -11.633 1.00 1.00 N ATOM 1093 CA HIS A 75 74.463 -6.850 -12.005 1.00 1.00 C ATOM 1094 C HIS A 75 75.322 -7.217 -10.791 1.00 1.00 C ATOM 1095 O HIS A 75 76.405 -7.751 -10.922 1.00 1.00 O ATOM 1096 CB HIS A 75 75.369 -6.371 -13.142 1.00 1.00 C ATOM 1097 CG HIS A 75 76.324 -5.333 -12.620 1.00 1.00 C ATOM 1098 ND1 HIS A 75 77.444 -4.934 -13.334 1.00 1.00 N ATOM 1099 CD2 HIS A 75 76.340 -4.603 -11.456 1.00 1.00 C ATOM 1100 CE1 HIS A 75 78.083 -4.004 -12.602 1.00 1.00 C ATOM 1101 NE2 HIS A 75 77.452 -3.766 -11.450 1.00 1.00 N ATOM 0 H HIS A 75 73.916 -4.818 -11.641 1.00 1.00 H new ATOM 0 HA HIS A 75 73.899 -7.725 -12.329 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.922 -7.212 -13.559 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.767 -5.953 -13.949 1.00 1.00 H new ATOM 0 HD1 HIS A 75 77.731 -5.283 -14.249 1.00 1.00 H new ATOM 0 HD2 HIS A 75 75.604 -4.669 -10.668 1.00 1.00 H new ATOM 0 HE1 HIS A 75 78.994 -3.511 -12.908 1.00 1.00 H new ATOM 1110 N CYS A 76 74.844 -6.930 -9.611 1.00 1.00 N ATOM 1111 CA CYS A 76 75.621 -7.253 -8.382 1.00 1.00 C ATOM 1112 C CYS A 76 75.115 -8.573 -7.799 1.00 1.00 C ATOM 1113 O CYS A 76 74.056 -8.635 -7.206 1.00 1.00 O ATOM 1114 CB CYS A 76 75.433 -6.133 -7.356 1.00 1.00 C ATOM 1115 SG CYS A 76 76.569 -6.383 -5.969 1.00 1.00 S ATOM 0 H CYS A 76 73.942 -6.483 -9.445 1.00 1.00 H new ATOM 0 HA CYS A 76 76.679 -7.346 -8.628 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.619 -5.165 -7.821 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.403 -6.123 -6.999 1.00 1.00 H new ATOM 1120 N GLU A 77 75.858 -9.629 -7.970 1.00 1.00 N ATOM 1121 CA GLU A 77 75.411 -10.945 -7.432 1.00 1.00 C ATOM 1122 C GLU A 77 75.037 -10.791 -5.957 1.00 1.00 C ATOM 1123 O GLU A 77 75.743 -10.170 -5.188 1.00 1.00 O ATOM 1124 CB GLU A 77 76.540 -11.970 -7.569 1.00 1.00 C ATOM 1125 CG GLU A 77 75.999 -13.368 -7.263 1.00 1.00 C ATOM 1126 CD GLU A 77 77.089 -14.408 -7.532 1.00 1.00 C ATOM 1127 OE1 GLU A 77 78.215 -14.007 -7.776 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.779 -15.587 -7.489 1.00 1.00 O ATOM 0 H GLU A 77 76.754 -9.639 -8.458 1.00 1.00 H new ATOM 0 HA GLU A 77 74.543 -11.289 -7.995 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.952 -11.941 -8.578 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.353 -11.725 -6.885 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.676 -13.425 -6.224 1.00 1.00 H new ATOM 0 HG3 GLU A 77 75.125 -13.574 -7.880 1.00 1.00 H new ATOM 1135 N LEU A 78 73.927 -11.350 -5.560 1.00 1.00 N ATOM 1136 CA LEU A 78 73.496 -11.236 -4.138 1.00 1.00 C ATOM 1137 C LEU A 78 74.607 -11.758 -3.220 1.00 1.00 C ATOM 1138 O LEU A 78 75.752 -11.859 -3.613 1.00 1.00 O ATOM 1139 CB LEU A 78 72.217 -12.056 -3.930 1.00 1.00 C ATOM 1140 CG LEU A 78 71.009 -11.250 -4.410 1.00 1.00 C ATOM 1141 CD1 LEU A 78 69.896 -12.206 -4.842 1.00 1.00 C ATOM 1142 CD2 LEU A 78 70.503 -10.363 -3.270 1.00 1.00 C ATOM 0 H LEU A 78 73.298 -11.882 -6.161 1.00 1.00 H new ATOM 0 HA LEU A 78 73.299 -10.191 -3.897 1.00 1.00 H new ATOM 0 HB2 LEU A 78 72.282 -12.996 -4.479 1.00 1.00 H new ATOM 0 HB3 LEU A 78 72.103 -12.310 -2.876 1.00 1.00 H new ATOM 0 HG LEU A 78 71.301 -10.627 -5.255 1.00 1.00 H new ATOM 0 HD11 LEU A 78 69.035 -11.631 -5.184 1.00 1.00 H new ATOM 0 HD12 LEU A 78 70.255 -12.839 -5.653 1.00 1.00 H new ATOM 0 HD13 LEU A 78 69.604 -12.829 -3.997 1.00 1.00 H new ATOM 0 HD21 LEU A 78 69.642 -9.788 -3.611 1.00 1.00 H new ATOM 0 HD22 LEU A 78 70.211 -10.987 -2.425 1.00 1.00 H new ATOM 0 HD23 LEU A 78 71.295 -9.681 -2.961 1.00 1.00 H new ATOM 1154 N HIS A 79 74.272 -12.082 -1.999 1.00 1.00 N ATOM 1155 CA HIS A 79 75.295 -12.593 -1.036 1.00 1.00 C ATOM 1156 C HIS A 79 76.046 -11.406 -0.425 1.00 1.00 C ATOM 1157 O HIS A 79 76.973 -10.879 -1.004 1.00 1.00 O ATOM 1158 CB HIS A 79 76.284 -13.524 -1.759 1.00 1.00 C ATOM 1159 CG HIS A 79 76.734 -14.606 -0.816 1.00 1.00 C ATOM 1160 ND1 HIS A 79 76.790 -14.414 0.556 1.00 1.00 N ATOM 1161 CD2 HIS A 79 77.152 -15.897 -1.033 1.00 1.00 C ATOM 1162 CE1 HIS A 79 77.227 -15.559 1.110 1.00 1.00 C ATOM 1163 NE2 HIS A 79 77.462 -16.493 0.186 1.00 1.00 N ATOM 0 H HIS A 79 73.326 -12.014 -1.623 1.00 1.00 H new ATOM 0 HA HIS A 79 74.800 -13.158 -0.246 1.00 1.00 H new ATOM 0 HB2 HIS A 79 75.810 -13.965 -2.636 1.00 1.00 H new ATOM 0 HB3 HIS A 79 77.143 -12.955 -2.113 1.00 1.00 H new ATOM 0 HD2 HIS A 79 77.228 -16.375 -1.999 1.00 1.00 H new ATOM 0 HE1 HIS A 79 77.370 -15.705 2.171 1.00 1.00 H new ATOM 0 HE2 HIS A 79 77.798 -17.444 0.341 1.00 1.00 H new ATOM 1172 N GLU A 80 75.644 -10.979 0.742 1.00 1.00 N ATOM 1173 CA GLU A 80 76.325 -9.823 1.392 1.00 1.00 C ATOM 1174 C GLU A 80 77.753 -10.213 1.780 1.00 1.00 C ATOM 1175 O GLU A 80 78.667 -9.418 1.694 1.00 1.00 O ATOM 1176 CB GLU A 80 75.551 -9.418 2.649 1.00 1.00 C ATOM 1177 CG GLU A 80 74.237 -8.746 2.245 1.00 1.00 C ATOM 1178 CD GLU A 80 73.391 -8.487 3.493 1.00 1.00 C ATOM 1179 OE1 GLU A 80 73.783 -8.940 4.555 1.00 1.00 O ATOM 1180 OE2 GLU A 80 72.365 -7.840 3.364 1.00 1.00 O ATOM 0 H GLU A 80 74.872 -11.382 1.274 1.00 1.00 H new ATOM 0 HA GLU A 80 76.357 -8.986 0.694 1.00 1.00 H new ATOM 0 HB2 GLU A 80 75.349 -10.296 3.263 1.00 1.00 H new ATOM 0 HB3 GLU A 80 76.149 -8.737 3.254 1.00 1.00 H new ATOM 0 HG2 GLU A 80 74.440 -7.807 1.729 1.00 1.00 H new ATOM 0 HG3 GLU A 80 73.691 -9.381 1.548 1.00 1.00 H new ATOM 1187 N LEU A 81 77.955 -11.429 2.210 1.00 1.00 N ATOM 1188 CA LEU A 81 79.326 -11.859 2.604 1.00 1.00 C ATOM 1189 C LEU A 81 80.262 -11.723 1.403 1.00 1.00 C ATOM 1190 O LEU A 81 81.432 -12.038 1.478 1.00 1.00 O ATOM 1191 CB LEU A 81 79.305 -13.323 3.063 1.00 1.00 C ATOM 1192 CG LEU A 81 78.429 -13.463 4.309 1.00 1.00 C ATOM 1193 CD1 LEU A 81 78.881 -12.454 5.367 1.00 1.00 C ATOM 1194 CD2 LEU A 81 76.970 -13.192 3.938 1.00 1.00 C ATOM 0 H LEU A 81 77.231 -12.141 2.305 1.00 1.00 H new ATOM 0 HA LEU A 81 79.677 -11.230 3.423 1.00 1.00 H new ATOM 0 HB2 LEU A 81 78.922 -13.958 2.265 1.00 1.00 H new ATOM 0 HB3 LEU A 81 80.319 -13.660 3.280 1.00 1.00 H new ATOM 0 HG LEU A 81 78.522 -14.473 4.707 1.00 1.00 H new ATOM 0 HD11 LEU A 81 78.257 -12.554 6.255 1.00 1.00 H new ATOM 0 HD12 LEU A 81 79.921 -12.645 5.631 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.788 -11.443 4.969 1.00 1.00 H new ATOM 0 HD21 LEU A 81 76.344 -13.291 4.825 1.00 1.00 H new ATOM 0 HD22 LEU A 81 76.877 -12.181 3.540 1.00 1.00 H new ATOM 0 HD23 LEU A 81 76.647 -13.910 3.184 1.00 1.00 H new ATOM 1206 N ALA A 82 79.755 -11.258 0.297 1.00 1.00 N ATOM 1207 CA ALA A 82 80.614 -11.104 -0.906 1.00 1.00 C ATOM 1208 C ALA A 82 81.651 -10.006 -0.661 1.00 1.00 C ATOM 1209 O ALA A 82 81.676 -9.004 -1.346 1.00 1.00 O ATOM 1210 CB ALA A 82 79.741 -10.722 -2.100 1.00 1.00 C ATOM 0 H ALA A 82 78.782 -10.978 0.175 1.00 1.00 H new ATOM 0 HA ALA A 82 81.127 -12.044 -1.110 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.366 -10.608 -2.986 1.00 1.00 H new ATOM 0 HB2 ALA A 82 79.002 -11.504 -2.276 1.00 1.00 H new ATOM 0 HB3 ALA A 82 79.231 -9.781 -1.892 1.00 1.00 H new ATOM 1216 N GLN A 83 82.509 -10.185 0.307 1.00 1.00 N ATOM 1217 CA GLN A 83 83.540 -9.147 0.581 1.00 1.00 C ATOM 1218 C GLN A 83 84.194 -8.732 -0.742 1.00 1.00 C ATOM 1219 O GLN A 83 84.721 -7.645 -0.871 1.00 1.00 O ATOM 1220 CB GLN A 83 84.603 -9.719 1.535 1.00 1.00 C ATOM 1221 CG GLN A 83 84.798 -8.765 2.715 1.00 1.00 C ATOM 1222 CD GLN A 83 85.197 -7.383 2.195 1.00 1.00 C ATOM 1223 OE1 GLN A 83 85.999 -7.292 1.169 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 84.775 -6.376 2.727 1.00 1.00 N flip ATOM 0 H GLN A 83 82.540 -11.002 0.917 1.00 1.00 H new ATOM 0 HA GLN A 83 83.077 -8.277 1.046 1.00 1.00 H new ATOM 0 HB2 GLN A 83 84.293 -10.700 1.895 1.00 1.00 H new ATOM 0 HB3 GLN A 83 85.546 -9.856 1.005 1.00 1.00 H new ATOM 0 HG2 GLN A 83 83.878 -8.695 3.295 1.00 1.00 H new ATOM 0 HG3 GLN A 83 85.568 -9.150 3.384 1.00 1.00 H new ATOM 0 HE21 GLN A 83 84.148 -6.447 3.529 1.00 1.00 H new ATOM 0 HE22 GLN A 83 85.047 -5.459 2.372 1.00 1.00 H new ATOM 1233 N TYR A 84 84.161 -9.592 -1.727 1.00 1.00 N ATOM 1234 CA TYR A 84 84.779 -9.250 -3.039 1.00 1.00 C ATOM 1235 C TYR A 84 84.069 -10.007 -4.168 1.00 1.00 C ATOM 1236 O TYR A 84 84.665 -10.320 -5.180 1.00 1.00 O ATOM 1237 CB TYR A 84 86.258 -9.641 -3.021 1.00 1.00 C ATOM 1238 CG TYR A 84 87.019 -8.691 -2.127 1.00 1.00 C ATOM 1239 CD1 TYR A 84 87.204 -7.359 -2.517 1.00 1.00 C ATOM 1240 CD2 TYR A 84 87.541 -9.143 -0.909 1.00 1.00 C ATOM 1241 CE1 TYR A 84 87.909 -6.479 -1.689 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.246 -8.262 -0.080 1.00 1.00 C ATOM 1243 CZ TYR A 84 88.431 -6.930 -0.470 1.00 1.00 C ATOM 1244 OH TYR A 84 89.126 -6.062 0.346 1.00 1.00 O ATOM 0 H TYR A 84 83.732 -10.516 -1.678 1.00 1.00 H new ATOM 0 HA TYR A 84 84.682 -8.178 -3.210 1.00 1.00 H new ATOM 0 HB2 TYR A 84 86.370 -10.664 -2.662 1.00 1.00 H new ATOM 0 HB3 TYR A 84 86.665 -9.611 -4.032 1.00 1.00 H new ATOM 0 HD1 TYR A 84 86.802 -7.011 -3.457 1.00 1.00 H new ATOM 0 HD2 TYR A 84 87.400 -10.171 -0.609 1.00 1.00 H new ATOM 0 HE1 TYR A 84 88.051 -5.451 -1.990 1.00 1.00 H new ATOM 0 HE2 TYR A 84 88.647 -8.610 0.860 1.00 1.00 H new ATOM 0 HH TYR A 84 89.128 -6.406 1.264 1.00 1.00 H new ATOM 1254 N GLY A 85 82.802 -10.303 -4.016 1.00 1.00 N ATOM 1255 CA GLY A 85 82.080 -11.033 -5.101 1.00 1.00 C ATOM 1256 C GLY A 85 82.376 -10.356 -6.436 1.00 1.00 C ATOM 1257 O GLY A 85 82.657 -11.000 -7.426 1.00 1.00 O ATOM 0 H GLY A 85 82.242 -10.073 -3.195 1.00 1.00 H new ATOM 0 HA2 GLY A 85 82.397 -12.076 -5.129 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.007 -11.031 -4.907 1.00 1.00 H new ATOM 1261 N ILE A 86 82.321 -9.052 -6.464 1.00 1.00 N ATOM 1262 CA ILE A 86 82.606 -8.315 -7.727 1.00 1.00 C ATOM 1263 C ILE A 86 83.503 -7.114 -7.417 1.00 1.00 C ATOM 1264 O ILE A 86 84.653 -7.265 -7.057 1.00 1.00 O ATOM 1265 CB ILE A 86 81.289 -7.834 -8.348 1.00 1.00 C ATOM 1266 CG1 ILE A 86 80.335 -9.021 -8.501 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.565 -7.223 -9.723 1.00 1.00 C ATOM 1268 CD1 ILE A 86 79.438 -9.118 -7.266 1.00 1.00 C ATOM 0 H ILE A 86 82.090 -8.464 -5.663 1.00 1.00 H new ATOM 0 HA ILE A 86 83.113 -8.974 -8.432 1.00 1.00 H new ATOM 0 HB ILE A 86 80.836 -7.083 -7.701 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.726 -8.899 -9.397 1.00 1.00 H new ATOM 0 HG13 ILE A 86 80.902 -9.943 -8.625 1.00 1.00 H new ATOM 0 HG21 ILE A 86 80.629 -6.881 -10.164 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.245 -6.378 -9.616 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.018 -7.974 -10.370 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.759 -9.963 -7.375 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.055 -9.260 -6.379 1.00 1.00 H new ATOM 0 HD13 ILE A 86 78.860 -8.199 -7.163 1.00 1.00 H new ATOM 1280 N CYS A 87 82.987 -5.926 -7.556 1.00 1.00 N ATOM 1281 CA CYS A 87 83.807 -4.716 -7.277 1.00 1.00 C ATOM 1282 C CYS A 87 84.170 -4.678 -5.791 1.00 1.00 C ATOM 1283 CB CYS A 87 82.997 -3.472 -7.643 1.00 1.00 C ATOM 1284 SG CYS A 87 83.737 -2.014 -6.867 1.00 1.00 S ATOM 0 H CYS A 87 82.029 -5.740 -7.852 1.00 1.00 H new ATOM 0 HA CYS A 87 84.723 -4.744 -7.868 1.00 1.00 H new ATOM 0 HB2 CYS A 87 82.973 -3.347 -8.726 1.00 1.00 H new ATOM 0 HB3 CYS A 87 81.965 -3.588 -7.312 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.092 -4.594 -7.067 1.00 1.00 C HETATM 1291 O1G RCY A 110 56.260 -6.318 -5.106 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.572 -8.241 -5.183 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.901 -3.813 -5.154 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.065 -8.615 -5.356 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.210 -4.909 -3.554 1.00 1.00 C HETATM 1296 C1P RCY A 110 57.208 -7.096 -5.198 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.395 -7.986 -5.432 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.675 -6.669 -5.170 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.388 -8.931 -6.063 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.276 -5.282 -4.938 1.00 1.00 C HETATM 1301 C1V RCY A 110 59.278 -2.854 -5.656 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.282 -4.069 -4.756 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.822 -4.292 -3.344 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.506 -4.175 -5.655 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.932 -2.959 -2.597 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.894 -5.251 -2.599 1.00 1.00 C HETATM 0 H1ZB RCY A 110 56.781 -6.169 -3.175 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.320 -5.485 -1.623 1.00 1.00 H new HETATM 0 H1YB RCY A 110 58.396 -3.124 -1.624 1.00 1.00 H new HETATM 0 H1YA RCY A 110 58.542 -2.266 -3.177 1.00 1.00 H new HETATM 0 H1VB RCY A 110 60.180 -2.960 -6.259 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.652 -2.067 -6.076 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.352 -5.777 -2.910 1.00 1.00 H new HETATM 0 H1LA RCY A 110 56.971 -9.127 -4.398 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.981 -4.827 -7.653 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.453 -5.475 -7.012 1.00 1.00 H new HETATM 0 H1Z RCY A 110 55.918 -4.784 -2.466 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.937 -2.537 -2.458 1.00 1.00 H new HETATM 0 H1V RCY A 110 59.553 -2.593 -4.634 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.312 -8.769 -7.138 1.00 1.00 H new HETATM 0 H1M RCY A 110 59.995 -4.195 -3.305 1.00 1.00 H new HETATM 0 H1L RCY A 110 56.196 -8.893 -5.953 1.00 1.00 H new HETATM 0 H1C RCY A 110 57.547 -3.779 -7.543 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.129 3.299 5.016 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.760 -0.597 5.238 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.487 0.867 6.616 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.829 2.386 4.042 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.498 -0.837 7.321 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.843 0.240 2.955 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.748 -0.343 5.890 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.684 0.585 6.602 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.585 0.503 5.376 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.540 0.254 7.811 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.369 1.113 3.989 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.717 3.145 2.519 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.561 1.826 3.583 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.340 0.533 2.800 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.165 2.400 3.778 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.700 0.732 1.325 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.190 -0.577 3.417 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.962 -0.662 4.479 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.969 -1.522 2.922 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.458 -0.172 0.766 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.133 1.571 0.922 1.00 1.00 H new HETATM 0 H1VB RCY A 121 62.696 3.502 2.652 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.378 3.994 2.344 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.676 -0.804 3.220 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.049 -1.830 7.347 1.00 1.00 H new HETATM 0 H1CB RCY A 121 63.097 3.568 5.240 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.558 2.767 5.865 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.246 -0.339 3.291 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.766 0.939 1.235 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.757 2.471 1.664 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.295 1.292 3.938 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.084 1.130 8.163 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.312 0.420 2.020 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.413 -0.885 7.912 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.707 4.204 4.826 1.00 1.00 H new HETATM 1328 C1C RCY A 130 76.463 13.390 -8.951 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.534 14.019 -5.856 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.737 11.322 -5.072 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.673 11.101 -10.897 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.010 13.783 -3.956 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.046 10.438 -7.378 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.530 13.499 -5.371 1.00 1.00 C HETATM 1335 C1Q RCY A 130 76.516 12.274 -5.105 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.647 12.490 -6.102 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.526 13.455 -4.152 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.838 11.854 -7.481 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.331 11.537 -7.643 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.955 10.990 -9.469 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.672 9.851 -8.745 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.602 11.982 -8.370 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.736 8.650 -8.578 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.917 9.458 -9.540 1.00 1.00 C HETATM 0 H1ZB RCY A 130 79.540 10.338 -9.700 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 79.482 8.710 -8.984 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.233 7.880 -7.988 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.826 8.966 -8.069 1.00 1.00 H new HETATM 0 H1VB RCY A 130 75.121 12.225 -6.824 1.00 1.00 H new HETATM 0 H1VA RCY A 130 74.494 11.537 -8.341 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.083 10.214 -7.128 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.481 13.151 -3.203 1.00 1.00 H new HETATM 0 H1CB RCY A 130 76.376 14.112 -8.139 1.00 1.00 H new HETATM 0 H1CA RCY A 130 77.342 13.624 -9.552 1.00 1.00 H new HETATM 0 H1Z RCY A 130 78.618 9.045 -10.504 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.482 8.248 -9.559 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.472 10.532 -7.246 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.692 12.382 -7.904 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.984 14.304 -4.568 1.00 1.00 H new HETATM 0 H1M RCY A 130 77.429 10.010 -6.588 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.172 14.817 -3.651 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.572 13.439 -9.577 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.427 2.727 1.788 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.268 4.721 0.875 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.609 3.242 2.003 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.245 3.129 -1.190 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.325 5.888 1.502 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.401 1.351 0.069 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.444 4.662 1.231 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.547 3.862 1.985 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.209 3.359 1.458 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.328 5.278 2.487 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.757 1.917 1.220 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.779 0.358 0.957 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.261 2.310 -0.536 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.554 1.766 -1.141 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.267 1.807 0.901 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.261 0.557 -2.033 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.236 2.875 -1.942 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.381 3.747 -1.305 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.203 2.523 -2.301 1.00 1.00 H new HETATM 0 H1YB RCY A 138 85.199 0.131 -2.388 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.715 -0.194 -1.461 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.841 -0.007 1.982 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.745 0.309 0.616 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.423 1.719 -0.026 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.804 6.265 0.599 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.574 2.457 2.834 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.734 3.761 1.634 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.611 3.147 -2.793 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.659 0.871 -2.886 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.403 -0.261 0.313 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.007 1.401 2.147 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.937 5.282 3.504 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.459 0.266 0.150 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.765 6.717 1.936 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.374 2.619 1.530 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.049 2.543 5.837 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.375 -1.038 8.988 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.893 0.493 5.298 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.678 1.303 3.165 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.763 -1.087 8.453 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.163 -0.602 5.345 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.280 -0.792 8.192 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.472 -0.189 6.231 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.067 -0.155 6.819 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.261 -1.225 7.010 1.00 1.00 C HETATM 1376 C1U RCY A 150 79.780 0.381 6.189 1.00 1.00 C HETATM 1377 C1V RCY A 150 78.722 2.266 4.871 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.612 0.843 4.050 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.836 -0.470 3.973 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.026 1.565 5.256 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.784 -0.406 2.862 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.815 -1.617 3.722 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.589 -1.609 4.490 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.280 -2.566 3.756 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.185 -1.316 2.875 1.00 1.00 H new HETATM 0 H1YA RCY A 150 78.137 0.457 3.023 1.00 1.00 H new HETATM 0 H1VB RCY A 150 78.285 2.732 5.754 1.00 1.00 H new HETATM 0 H1VA RCY A 150 78.927 3.030 4.121 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.299 -1.604 5.751 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.261 -0.280 8.991 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.684 2.928 6.789 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.997 2.028 5.993 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.275 -1.495 2.742 1.00 1.00 H new HETATM 0 H1Y RCY A 150 79.280 -0.312 1.896 1.00 1.00 H new HETATM 0 H1V RCY A 150 78.023 1.536 4.463 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.161 0.662 7.041 1.00 1.00 H new HETATM 0 H1S RCY A 150 83.085 -2.229 6.624 1.00 1.00 H new HETATM 0 H1M RCY A 150 78.089 -0.432 5.270 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.911 -1.997 9.035 1.00 1.00 H new HETATM 0 H1C RCY A 150 81.196 3.371 5.143 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.284 0.309 5.145 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.450 0.959 6.502 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.630 5.345 5.211 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.679 1.498 2.406 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.148 2.983 6.066 1.00 1.00 C HETATM 1390 C1M RCY A 160 76.972 3.596 5.344 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.430 2.154 6.213 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.088 4.388 5.762 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.678 2.997 5.956 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.701 4.378 6.378 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.145 2.566 5.904 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.776 0.772 5.173 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.269 2.041 3.627 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.912 3.412 3.823 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.379 1.366 4.987 1.00 1.00 C HETATM 1400 C1Y RCY A 160 78.321 3.433 3.222 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.032 4.477 3.169 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.020 4.407 3.567 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 76.438 5.466 3.383 1.00 1.00 H new HETATM 0 H1YB RCY A 160 78.797 4.388 3.444 1.00 1.00 H new HETATM 0 H1YA RCY A 160 78.912 2.625 3.652 1.00 1.00 H new HETATM 0 H1VB RCY A 160 77.859 0.342 6.171 1.00 1.00 H new HETATM 0 H1VA RCY A 160 77.943 -0.006 4.428 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.612 4.584 5.631 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.721 2.917 5.065 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.267 -0.046 6.175 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.317 0.747 4.896 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.010 4.319 2.091 1.00 1.00 H new HETATM 0 H1Y RCY A 160 78.258 3.301 2.142 1.00 1.00 H new HETATM 0 H1V RCY A 160 78.524 1.556 5.053 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.393 2.334 6.940 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.743 4.556 7.453 1.00 1.00 H new HETATM 0 H1M RCY A 160 77.997 3.513 5.706 1.00 1.00 H new HETATM 0 H1L RCY A 160 71.370 2.676 6.765 1.00 1.00 H new HETATM 0 H1C RCY A 160 75.487 -0.528 4.476 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.342 -4.608 -3.631 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.704 -1.508 -7.505 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.180 -1.125 -3.052 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.798 -6.020 -2.611 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.223 0.076 -6.372 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.419 -2.768 -4.546 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.122 -1.162 -6.478 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.227 -1.131 -4.281 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.206 -1.911 -5.149 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.315 -0.357 -5.215 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.050 -3.132 -4.776 1.00 1.00 C HETATM 1415 C1V RCY A 168 73.473 -2.741 -2.342 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.807 -4.682 -3.195 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.015 -3.880 -3.674 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.613 -3.775 -3.461 1.00 1.00 C HETATM 1419 C1Y RCY A 168 76.769 -3.284 -2.482 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.931 -4.794 -4.488 1.00 1.00 C HETATM 0 H1VB RCY A 168 72.650 -2.064 -2.573 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.785 0.982 -6.145 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.533 -3.969 -3.985 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.521 -5.401 -4.357 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.924 -3.814 -5.617 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.491 -0.977 -5.568 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.223 -1.402 -6.683 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.035 1.662 -7.901 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.120 -2.058 -10.600 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.444 -4.053 -8.094 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.637 1.128 -10.256 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.663 -1.975 -7.922 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.190 0.889 -8.845 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.933 -0.909 -10.204 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.956 -0.430 -8.757 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.636 0.300 -11.072 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.588 -1.105 -7.538 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.164 -2.453 -5.437 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.587 -3.210 -7.754 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.018 -3.321 -8.275 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.616 -2.024 -6.799 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.754 -4.470 -7.580 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.984 -3.540 -9.788 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.406 -2.744 -10.258 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 78.001 -3.529 -10.180 1.00 1.00 H new HETATM 0 H1YB RCY A 173 78.795 -4.483 -7.902 1.00 1.00 H new HETATM 0 H1YA RCY A 173 77.710 -4.330 -6.500 1.00 1.00 H new HETATM 0 H1MA RCY A 173 78.207 -1.569 -8.774 1.00 1.00 H new HETATM 0 H1LA RCY A 173 73.612 0.775 -10.368 1.00 1.00 H new HETATM 0 H1Z RCY A 173 76.521 -4.502 -10.006 1.00 1.00 H new HETATM 0 H1Y RCY A 173 77.282 -5.416 -7.843 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.913 -0.276 -6.910 1.00 1.00 H new HETATM 0 H1S RCY A 173 76.542 0.868 -11.283 1.00 1.00 H new HETATM 0 H1M RCY A 173 78.381 -2.088 -7.110 1.00 1.00 H new HETATM 0 H1L RCY A 173 74.643 2.182 -10.534 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.194 -4.751 0.450 1.00 1.00 C HETATM 1443 O1G RCY A 176 73.346 -4.773 -2.306 1.00 1.00 O HETATM 1444 O1H RCY A 176 77.879 -5.485 -3.422 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.364 -2.656 2.270 1.00 1.00 O HETATM 1446 C1L RCY A 176 74.457 -5.758 -4.251 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.043 -3.023 -1.158 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.392 -5.059 -2.887 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.682 -5.210 -3.489 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.787 -4.761 -2.340 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.821 -5.255 -4.738 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.192 -4.166 -0.990 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.121 -2.710 -1.051 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.729 -2.817 0.866 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.927 -2.210 0.137 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.002 -3.626 -0.199 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.672 -0.733 -0.175 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.175 -2.369 1.007 1.00 1.00 C HETATM 0 H1ZB RCY A 176 78.305 -3.419 1.268 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 79.049 -2.021 0.457 1.00 1.00 H new HETATM 0 H1YB RCY A 176 77.498 -0.338 -0.767 1.00 1.00 H new HETATM 0 H1YA RCY A 176 75.743 -0.635 -0.737 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.351 -2.260 -0.424 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.419 -6.844 -4.166 1.00 1.00 H new HETATM 0 H1CB RCY A 176 73.816 -5.420 -0.323 1.00 1.00 H new HETATM 0 H1CA RCY A 176 74.833 -5.311 1.133 1.00 1.00 H new HETATM 0 H1Z RCY A 176 78.061 -1.780 1.917 1.00 1.00 H new HETATM 0 H1Y RCY A 176 76.593 -0.173 0.757 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.680 -4.990 -0.469 1.00 1.00 H new HETATM 0 H1L RCY A 176 73.642 -5.461 -4.912 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.357 -4.325 1.003 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.817 -1.605 -2.730 1.00 1.00 C HETATM 1462 O1G RCY A 187 81.280 -0.850 -2.507 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.667 -4.007 -5.997 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.450 -2.331 -5.313 1.00 1.00 O HETATM 1465 C1L RCY A 187 82.579 -0.904 -4.580 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.863 -4.956 -3.901 1.00 1.00 C HETATM 1467 C1P RCY A 187 81.617 -1.458 -3.521 1.00 1.00 C HETATM 1468 C1Q RCY A 187 81.930 -3.160 -5.145 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.128 -2.859 -3.884 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.119 -2.217 -5.156 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.100 -3.742 -3.173 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.798 -3.846 -2.126 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.246 -3.262 -4.519 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.789 -4.625 -4.945 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.721 -3.090 -3.083 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.675 -5.675 -4.922 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.392 -4.509 -6.344 1.00 1.00 C HETATM 0 H1ZB RCY A 187 80.140 -3.716 -6.353 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 79.861 -5.454 -6.617 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.777 -5.307 -4.380 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.070 -0.297 -5.329 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.313 -1.492 -1.766 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.392 -1.085 -3.497 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.605 -4.274 -7.061 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.758 -4.897 -2.413 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.528 -3.913 -2.185 1.00 1.00 H new HETATM 0 H1S RCY A 187 83.939 -2.607 -4.553 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.527 -5.750 -3.235 1.00 1.00 H new HETATM 0 H1L RCY A 187 83.364 -0.284 -4.147 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.815 -1.178 -2.676 1.00 1.00 H new