USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=17 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 11 ARG H : A 11 ARG N : A 110 RCY N1R :(H bumps) USER MOD NoAdj-H: A 12 SER H : A 12 SER N : A 110 RCY C1L :(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 H1L : A 110 RCY C1L : A 12 SER N :(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 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 160 RCY C1U :(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 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(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 173 RCYH1VB : A 173 RCY C1V : A 86 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 86 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY C1S :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 173 RCY C1S :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY O1G :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 150 RCY C1Y :(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 NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 187 RCY H1S : A 187 RCY C1S : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 168 RCY O1J :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0486 (180deg=-0.273) USER MOD Single : A 2 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -46:sc= 0.22 USER MOD Single : A 14 THR OG1 : rot -140:sc= 0.0207 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 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00904) USER MOD Single : A 29 LYS NZ :NH3+ -128:sc= -1.46 (180deg=-4.2!) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.152 (180deg=-0.959) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0304) USER MOD Single : A 40 SER OG : rot 180:sc= -0.342 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -1.58 (180deg=-2.37) USER MOD Single : A 44 LYS NZ :NH3+ -132:sc= -2.13! (180deg=-4.77!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.81! C(o=-3.8!,f=-4.3!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -54:sc= 1.07 USER MOD Single : A 74 ASN :FLIP amide:sc= -1.24 F(o=-2!,f=-1.2) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.0734 K(o=-0.073,f=-1.9!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.691 -22.326 0.474 1.00 1.00 N ATOM 2 CA MET A 1 54.676 -22.323 1.593 1.00 1.00 C ATOM 3 C MET A 1 55.995 -21.717 1.108 1.00 1.00 C ATOM 4 O MET A 1 56.752 -21.158 1.876 1.00 1.00 O ATOM 5 CB MET A 1 54.914 -23.761 2.066 1.00 1.00 C ATOM 6 CG MET A 1 55.502 -23.744 3.478 1.00 1.00 C ATOM 7 SD MET A 1 54.171 -23.509 4.683 1.00 1.00 S ATOM 8 CE MET A 1 55.115 -22.528 5.875 1.00 1.00 C ATOM 0 H1 MET A 1 52.744 -22.543 0.845 1.00 1.00 H new ATOM 0 H2 MET A 1 53.678 -21.390 0.020 1.00 1.00 H new ATOM 0 H3 MET A 1 53.962 -23.046 -0.225 1.00 1.00 H new ATOM 0 HA MET A 1 54.287 -21.729 2.420 1.00 1.00 H new ATOM 0 HB2 MET A 1 53.977 -24.317 2.058 1.00 1.00 H new ATOM 0 HB3 MET A 1 55.594 -24.272 1.384 1.00 1.00 H new ATOM 0 HG2 MET A 1 56.026 -24.679 3.677 1.00 1.00 H new ATOM 0 HG3 MET A 1 56.235 -22.942 3.569 1.00 1.00 H new ATOM 0 HE1 MET A 1 54.476 -22.267 6.718 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.966 -23.108 6.231 1.00 1.00 H new ATOM 0 HE3 MET A 1 55.472 -21.617 5.395 1.00 1.00 H new ATOM 17 N ASN A 2 56.275 -21.824 -0.162 1.00 1.00 N ATOM 18 CA ASN A 2 57.545 -21.254 -0.696 1.00 1.00 C ATOM 19 C ASN A 2 57.404 -19.736 -0.833 1.00 1.00 C ATOM 20 O ASN A 2 56.322 -19.192 -0.733 1.00 1.00 O ATOM 21 CB ASN A 2 57.841 -21.865 -2.067 1.00 1.00 C ATOM 22 CG ASN A 2 59.248 -21.463 -2.512 1.00 1.00 C ATOM 23 OD1 ASN A 2 59.444 -20.394 -3.055 1.00 1.00 O ATOM 24 ND2 ASN A 2 60.244 -22.280 -2.304 1.00 1.00 N ATOM 0 H ASN A 2 55.680 -22.281 -0.853 1.00 1.00 H new ATOM 0 HA ASN A 2 58.363 -21.483 -0.012 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.760 -22.951 -2.018 1.00 1.00 H new ATOM 0 HB3 ASN A 2 57.106 -21.523 -2.796 1.00 1.00 H new ATOM 0 HD21 ASN A 2 61.186 -22.021 -2.597 1.00 1.00 H new ATOM 0 HD22 ASN A 2 60.081 -23.178 -1.848 1.00 1.00 H new ATOM 31 N LEU A 3 58.489 -19.049 -1.060 1.00 1.00 N ATOM 32 CA LEU A 3 58.416 -17.567 -1.202 1.00 1.00 C ATOM 33 C LEU A 3 57.922 -17.211 -2.605 1.00 1.00 C ATOM 34 O LEU A 3 58.699 -17.058 -3.527 1.00 1.00 O ATOM 35 CB LEU A 3 59.805 -16.964 -0.984 1.00 1.00 C ATOM 36 CG LEU A 3 60.441 -17.581 0.263 1.00 1.00 C ATOM 37 CD1 LEU A 3 61.801 -16.929 0.519 1.00 1.00 C ATOM 38 CD2 LEU A 3 59.529 -17.345 1.469 1.00 1.00 C ATOM 0 H LEU A 3 59.423 -19.449 -1.153 1.00 1.00 H new ATOM 0 HA LEU A 3 57.725 -17.166 -0.461 1.00 1.00 H new ATOM 0 HB2 LEU A 3 60.434 -17.149 -1.855 1.00 1.00 H new ATOM 0 HB3 LEU A 3 59.729 -15.883 -0.869 1.00 1.00 H new ATOM 0 HG LEU A 3 60.575 -18.652 0.110 1.00 1.00 H new ATOM 0 HD11 LEU A 3 62.254 -17.369 1.408 1.00 1.00 H new ATOM 0 HD12 LEU A 3 62.451 -17.095 -0.340 1.00 1.00 H new ATOM 0 HD13 LEU A 3 61.668 -15.858 0.672 1.00 1.00 H new ATOM 0 HD21 LEU A 3 59.981 -17.784 2.358 1.00 1.00 H new ATOM 0 HD22 LEU A 3 59.396 -16.274 1.621 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.559 -17.809 1.288 1.00 1.00 H new ATOM 50 N GLU A 4 56.635 -17.075 -2.776 1.00 1.00 N ATOM 51 CA GLU A 4 56.095 -16.725 -4.119 1.00 1.00 C ATOM 52 C GLU A 4 56.489 -15.280 -4.459 1.00 1.00 C ATOM 53 O GLU A 4 56.084 -14.357 -3.781 1.00 1.00 O ATOM 54 CB GLU A 4 54.569 -16.841 -4.098 1.00 1.00 C ATOM 55 CG GLU A 4 54.167 -18.182 -3.482 1.00 1.00 C ATOM 56 CD GLU A 4 52.641 -18.287 -3.435 1.00 1.00 C ATOM 57 OE1 GLU A 4 52.033 -18.255 -4.492 1.00 1.00 O ATOM 58 OE2 GLU A 4 52.108 -18.396 -2.344 1.00 1.00 O ATOM 0 H GLU A 4 55.935 -17.191 -2.043 1.00 1.00 H new ATOM 0 HA GLU A 4 56.503 -17.404 -4.868 1.00 1.00 H new ATOM 0 HB2 GLU A 4 54.139 -16.021 -3.522 1.00 1.00 H new ATOM 0 HB3 GLU A 4 54.174 -16.761 -5.111 1.00 1.00 H new ATOM 0 HG2 GLU A 4 54.580 -19.002 -4.069 1.00 1.00 H new ATOM 0 HG3 GLU A 4 54.579 -18.270 -2.477 1.00 1.00 H new ATOM 65 N PRO A 5 57.274 -15.076 -5.493 1.00 1.00 N ATOM 66 CA PRO A 5 57.723 -13.714 -5.903 1.00 1.00 C ATOM 67 C PRO A 5 56.607 -12.666 -5.777 1.00 1.00 C ATOM 68 O PRO A 5 55.750 -12.562 -6.632 1.00 1.00 O ATOM 69 CB PRO A 5 58.120 -13.908 -7.364 1.00 1.00 C ATOM 70 CG PRO A 5 58.601 -15.320 -7.441 1.00 1.00 C ATOM 71 CD PRO A 5 57.819 -16.113 -6.385 1.00 1.00 C ATOM 0 HA PRO A 5 58.529 -13.338 -5.273 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.273 -13.741 -8.030 1.00 1.00 H new ATOM 0 HB3 PRO A 5 58.901 -13.207 -7.659 1.00 1.00 H new ATOM 0 HG2 PRO A 5 58.433 -15.732 -8.436 1.00 1.00 H new ATOM 0 HG3 PRO A 5 59.673 -15.374 -7.250 1.00 1.00 H new ATOM 0 HD2 PRO A 5 57.025 -16.707 -6.838 1.00 1.00 H new ATOM 0 HD3 PRO A 5 58.466 -16.804 -5.845 1.00 1.00 H new ATOM 79 N PRO A 6 56.616 -11.897 -4.716 1.00 1.00 N ATOM 80 CA PRO A 6 55.592 -10.848 -4.473 1.00 1.00 C ATOM 81 C PRO A 6 55.978 -9.503 -5.097 1.00 1.00 C ATOM 82 O PRO A 6 57.116 -9.281 -5.462 1.00 1.00 O ATOM 83 CB PRO A 6 55.575 -10.746 -2.950 1.00 1.00 C ATOM 84 CG PRO A 6 56.977 -11.056 -2.529 1.00 1.00 C ATOM 85 CD PRO A 6 57.596 -11.942 -3.620 1.00 1.00 C ATOM 0 HA PRO A 6 54.627 -11.096 -4.916 1.00 1.00 H new ATOM 0 HB2 PRO A 6 55.275 -9.750 -2.624 1.00 1.00 H new ATOM 0 HB3 PRO A 6 54.867 -11.451 -2.514 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.553 -10.139 -2.406 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.985 -11.569 -1.567 1.00 1.00 H new ATOM 0 HD2 PRO A 6 58.567 -11.563 -3.938 1.00 1.00 H new ATOM 0 HD3 PRO A 6 57.752 -12.961 -3.266 1.00 1.00 H new ATOM 93 N LYS A 7 55.037 -8.603 -5.215 1.00 1.00 N ATOM 94 CA LYS A 7 55.338 -7.265 -5.805 1.00 1.00 C ATOM 95 C LYS A 7 55.004 -6.182 -4.781 1.00 1.00 C ATOM 96 O LYS A 7 55.477 -5.065 -4.863 1.00 1.00 O ATOM 97 CB LYS A 7 54.491 -7.059 -7.063 1.00 1.00 C ATOM 98 CG LYS A 7 54.874 -8.102 -8.114 1.00 1.00 C ATOM 99 CD LYS A 7 53.970 -7.950 -9.339 1.00 1.00 C ATOM 100 CE LYS A 7 52.576 -8.492 -9.015 1.00 1.00 C ATOM 101 NZ LYS A 7 51.578 -7.392 -9.123 1.00 1.00 N ATOM 0 H LYS A 7 54.068 -8.738 -4.927 1.00 1.00 H new ATOM 0 HA LYS A 7 56.394 -7.208 -6.069 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.432 -7.145 -6.819 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.646 -6.055 -7.458 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.918 -7.977 -8.402 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.776 -9.105 -7.699 1.00 1.00 H new ATOM 0 HD2 LYS A 7 53.906 -6.901 -9.629 1.00 1.00 H new ATOM 0 HD3 LYS A 7 54.394 -8.489 -10.186 1.00 1.00 H new ATOM 0 HE2 LYS A 7 52.319 -9.299 -9.701 1.00 1.00 H new ATOM 0 HE3 LYS A 7 52.562 -8.912 -8.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 50.631 -7.760 -8.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 51.821 -6.636 -8.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 51.585 -7.011 -10.091 1.00 1.00 H new ATOM 115 N ALA A 8 54.194 -6.508 -3.810 1.00 1.00 N ATOM 116 CA ALA A 8 53.824 -5.509 -2.767 1.00 1.00 C ATOM 117 C ALA A 8 54.663 -5.757 -1.512 1.00 1.00 C ATOM 118 O ALA A 8 54.184 -6.283 -0.526 1.00 1.00 O ATOM 119 CB ALA A 8 52.340 -5.655 -2.426 1.00 1.00 C ATOM 0 H ALA A 8 53.771 -7.429 -3.694 1.00 1.00 H new ATOM 0 HA ALA A 8 54.012 -4.502 -3.140 1.00 1.00 H new ATOM 0 HB1 ALA A 8 52.068 -4.925 -1.663 1.00 1.00 H new ATOM 0 HB2 ALA A 8 51.742 -5.484 -3.321 1.00 1.00 H new ATOM 0 HB3 ALA A 8 52.150 -6.660 -2.050 1.00 1.00 H new ATOM 125 N GLU A 9 55.914 -5.386 -1.543 1.00 1.00 N ATOM 126 CA GLU A 9 56.791 -5.602 -0.357 1.00 1.00 C ATOM 127 C GLU A 9 56.057 -5.163 0.913 1.00 1.00 C ATOM 128 O GLU A 9 56.076 -4.005 1.283 1.00 1.00 O ATOM 129 CB GLU A 9 58.073 -4.779 -0.520 1.00 1.00 C ATOM 130 CG GLU A 9 58.994 -5.012 0.680 1.00 1.00 C ATOM 131 CD GLU A 9 59.151 -3.708 1.464 1.00 1.00 C ATOM 132 OE1 GLU A 9 58.174 -2.986 1.577 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.247 -3.453 1.937 1.00 1.00 O ATOM 0 H GLU A 9 56.368 -4.941 -2.341 1.00 1.00 H new ATOM 0 HA GLU A 9 57.043 -6.659 -0.278 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.583 -5.061 -1.441 1.00 1.00 H new ATOM 0 HB3 GLU A 9 57.828 -3.720 -0.602 1.00 1.00 H new ATOM 0 HG2 GLU A 9 58.580 -5.788 1.324 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.968 -5.364 0.341 1.00 1.00 H new ATOM 140 N CYS A 10 55.411 -6.082 1.584 1.00 1.00 N ATOM 141 CA CYS A 10 54.673 -5.727 2.831 1.00 1.00 C ATOM 142 C CYS A 10 55.418 -6.290 4.043 1.00 1.00 C ATOM 143 O CYS A 10 56.186 -7.225 3.932 1.00 1.00 O ATOM 144 CB CYS A 10 53.265 -6.326 2.778 1.00 1.00 C ATOM 145 SG CYS A 10 52.303 -5.712 4.182 1.00 1.00 S ATOM 0 H CYS A 10 55.363 -7.066 1.320 1.00 1.00 H new ATOM 0 HA CYS A 10 54.606 -4.642 2.916 1.00 1.00 H new ATOM 0 HB2 CYS A 10 52.777 -6.056 1.842 1.00 1.00 H new ATOM 0 HB3 CYS A 10 53.319 -7.414 2.807 1.00 1.00 H new ATOM 150 N ARG A 11 55.199 -5.728 5.203 1.00 1.00 N ATOM 151 CA ARG A 11 55.898 -6.234 6.421 1.00 1.00 C ATOM 152 C ARG A 11 55.774 -7.759 6.488 1.00 1.00 C ATOM 153 O ARG A 11 56.473 -8.415 7.235 1.00 1.00 O ATOM 154 CB ARG A 11 55.287 -5.609 7.690 1.00 1.00 C ATOM 155 CG ARG A 11 53.775 -5.450 7.516 1.00 1.00 C ATOM 156 CD ARG A 11 53.070 -6.725 7.984 1.00 1.00 C ATOM 157 NE ARG A 11 52.852 -6.660 9.457 1.00 1.00 N ATOM 158 CZ ARG A 11 53.632 -7.327 10.262 1.00 1.00 C ATOM 159 NH1 ARG A 11 54.604 -8.052 9.778 1.00 1.00 N ATOM 160 NH2 ARG A 11 53.441 -7.270 11.552 1.00 1.00 N ATOM 0 HA ARG A 11 56.950 -5.955 6.364 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.498 -6.239 8.554 1.00 1.00 H new ATOM 0 HB3 ARG A 11 55.744 -4.638 7.884 1.00 1.00 H new ATOM 0 HG2 ARG A 11 53.420 -4.594 8.090 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.537 -5.253 6.471 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.116 -6.836 7.469 1.00 1.00 H new ATOM 0 HD3 ARG A 11 53.671 -7.599 7.733 1.00 1.00 H new ATOM 0 HE ARG A 11 52.093 -6.094 9.836 1.00 1.00 H new ATOM 0 HH11 ARG A 11 54.754 -8.097 8.770 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.214 -8.573 10.408 1.00 1.00 H new ATOM 0 HH21 ARG A 11 52.682 -6.704 11.931 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.051 -7.792 12.181 1.00 1.00 H new ATOM 174 N SER A 12 54.890 -8.328 5.714 1.00 1.00 N ATOM 175 CA SER A 12 54.723 -9.811 5.736 1.00 1.00 C ATOM 176 C SER A 12 55.601 -10.438 4.651 1.00 1.00 C ATOM 177 O SER A 12 55.442 -11.591 4.300 1.00 1.00 O ATOM 178 CB SER A 12 53.258 -10.162 5.473 1.00 1.00 C ATOM 179 OG SER A 12 53.023 -11.509 5.858 1.00 1.00 O ATOM 0 HA SER A 12 55.019 -10.197 6.711 1.00 1.00 H new ATOM 0 HB2 SER A 12 52.605 -9.492 6.033 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.023 -10.027 4.417 1.00 1.00 H new ATOM 0 HG SER A 12 53.739 -12.079 5.508 1.00 1.00 H new ATOM 185 N ALA A 13 56.527 -9.689 4.118 1.00 1.00 N ATOM 186 CA ALA A 13 57.413 -10.243 3.057 1.00 1.00 C ATOM 187 C ALA A 13 58.365 -11.272 3.672 1.00 1.00 C ATOM 188 O ALA A 13 58.218 -11.663 4.813 1.00 1.00 O ATOM 189 CB ALA A 13 58.226 -9.110 2.427 1.00 1.00 C ATOM 0 H ALA A 13 56.708 -8.718 4.372 1.00 1.00 H new ATOM 0 HA ALA A 13 56.804 -10.723 2.291 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.874 -9.516 1.650 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.549 -8.377 1.988 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.834 -8.629 3.193 1.00 1.00 H new ATOM 195 N THR A 14 59.341 -11.712 2.924 1.00 1.00 N ATOM 196 CA THR A 14 60.306 -12.716 3.462 1.00 1.00 C ATOM 197 C THR A 14 61.549 -11.989 3.980 1.00 1.00 C ATOM 198 O THR A 14 61.904 -10.930 3.502 1.00 1.00 O ATOM 199 CB THR A 14 60.707 -13.697 2.348 1.00 1.00 C ATOM 200 OG1 THR A 14 62.122 -13.720 2.227 1.00 1.00 O ATOM 201 CG2 THR A 14 60.087 -13.249 1.023 1.00 1.00 C ATOM 0 H THR A 14 59.512 -11.419 1.962 1.00 1.00 H new ATOM 0 HA THR A 14 59.841 -13.272 4.276 1.00 1.00 H new ATOM 0 HB THR A 14 60.347 -14.695 2.595 1.00 1.00 H new ATOM 0 HG1 THR A 14 62.369 -13.761 1.279 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.372 -13.945 0.234 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.001 -13.232 1.117 1.00 1.00 H new ATOM 0 HG23 THR A 14 60.446 -12.251 0.773 1.00 1.00 H new ATOM 209 N ARG A 15 62.213 -12.547 4.955 1.00 1.00 N ATOM 210 CA ARG A 15 63.430 -11.880 5.499 1.00 1.00 C ATOM 211 C ARG A 15 64.586 -12.059 4.513 1.00 1.00 C ATOM 212 O ARG A 15 65.550 -11.319 4.530 1.00 1.00 O ATOM 213 CB ARG A 15 63.814 -12.488 6.864 1.00 1.00 C ATOM 214 CG ARG A 15 62.727 -13.463 7.320 1.00 1.00 C ATOM 215 CD ARG A 15 62.971 -14.834 6.685 1.00 1.00 C ATOM 216 NE ARG A 15 61.983 -15.812 7.220 1.00 1.00 N ATOM 217 CZ ARG A 15 61.850 -16.981 6.655 1.00 1.00 C ATOM 218 NH1 ARG A 15 62.582 -17.292 5.620 1.00 1.00 N ATOM 219 NH2 ARG A 15 60.985 -17.838 7.124 1.00 1.00 N ATOM 0 H ARG A 15 61.967 -13.433 5.397 1.00 1.00 H new ATOM 0 HA ARG A 15 63.222 -10.819 5.637 1.00 1.00 H new ATOM 0 HB2 ARG A 15 64.770 -13.005 6.786 1.00 1.00 H new ATOM 0 HB3 ARG A 15 63.939 -11.697 7.603 1.00 1.00 H new ATOM 0 HG2 ARG A 15 62.732 -13.548 8.407 1.00 1.00 H new ATOM 0 HG3 ARG A 15 61.744 -13.088 7.034 1.00 1.00 H new ATOM 0 HD2 ARG A 15 62.881 -14.766 5.601 1.00 1.00 H new ATOM 0 HD3 ARG A 15 63.985 -15.171 6.900 1.00 1.00 H new ATOM 0 HE ARG A 15 61.410 -15.568 8.028 1.00 1.00 H new ATOM 0 HH11 ARG A 15 63.258 -16.622 5.253 1.00 1.00 H new ATOM 0 HH12 ARG A 15 62.478 -18.205 5.178 1.00 1.00 H new ATOM 0 HH21 ARG A 15 60.413 -17.594 7.932 1.00 1.00 H new ATOM 0 HH22 ARG A 15 60.881 -18.752 6.682 1.00 1.00 H new ATOM 233 N VAL A 16 64.498 -13.035 3.654 1.00 1.00 N ATOM 234 CA VAL A 16 65.590 -13.258 2.668 1.00 1.00 C ATOM 235 C VAL A 16 65.711 -12.033 1.758 1.00 1.00 C ATOM 236 O VAL A 16 65.672 -10.907 2.210 1.00 1.00 O ATOM 237 CB VAL A 16 65.265 -14.494 1.824 1.00 1.00 C ATOM 238 CG1 VAL A 16 66.545 -15.017 1.169 1.00 1.00 C ATOM 239 CG2 VAL A 16 64.673 -15.582 2.722 1.00 1.00 C ATOM 0 H VAL A 16 63.717 -13.688 3.592 1.00 1.00 H new ATOM 0 HA VAL A 16 66.532 -13.414 3.193 1.00 1.00 H new ATOM 0 HB VAL A 16 64.545 -14.226 1.051 1.00 1.00 H new ATOM 0 HG11 VAL A 16 66.313 -15.897 0.568 1.00 1.00 H new ATOM 0 HG12 VAL A 16 66.969 -14.243 0.530 1.00 1.00 H new ATOM 0 HG13 VAL A 16 67.266 -15.285 1.942 1.00 1.00 H new ATOM 0 HG21 VAL A 16 64.441 -16.462 2.122 1.00 1.00 H new ATOM 0 HG22 VAL A 16 65.394 -15.849 3.494 1.00 1.00 H new ATOM 0 HG23 VAL A 16 63.761 -15.211 3.190 1.00 1.00 H new ATOM 249 N MET A 17 65.855 -12.246 0.478 1.00 1.00 N ATOM 250 CA MET A 17 65.976 -11.100 -0.468 1.00 1.00 C ATOM 251 C MET A 17 66.253 -11.647 -1.873 1.00 1.00 C ATOM 252 O MET A 17 67.360 -11.588 -2.370 1.00 1.00 O ATOM 253 CB MET A 17 67.126 -10.176 -0.020 1.00 1.00 C ATOM 254 CG MET A 17 66.561 -8.808 0.366 1.00 1.00 C ATOM 255 SD MET A 17 67.848 -7.832 1.184 1.00 1.00 S ATOM 256 CE MET A 17 66.749 -6.663 2.020 1.00 1.00 C ATOM 0 H MET A 17 65.894 -13.169 0.045 1.00 1.00 H new ATOM 0 HA MET A 17 65.051 -10.524 -0.477 1.00 1.00 H new ATOM 0 HB2 MET A 17 67.651 -10.616 0.827 1.00 1.00 H new ATOM 0 HB3 MET A 17 67.853 -10.067 -0.824 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.204 -8.287 -0.522 1.00 1.00 H new ATOM 0 HG3 MET A 17 65.705 -8.930 1.030 1.00 1.00 H new ATOM 0 HE1 MET A 17 67.343 -5.953 2.596 1.00 1.00 H new ATOM 0 HE2 MET A 17 66.159 -6.124 1.279 1.00 1.00 H new ATOM 0 HE3 MET A 17 66.082 -7.206 2.690 1.00 1.00 H new ATOM 266 N GLY A 18 65.251 -12.187 -2.514 1.00 1.00 N ATOM 267 CA GLY A 18 65.448 -12.745 -3.884 1.00 1.00 C ATOM 268 C GLY A 18 64.241 -12.395 -4.756 1.00 1.00 C ATOM 269 O GLY A 18 63.903 -11.240 -4.927 1.00 1.00 O ATOM 0 H GLY A 18 64.302 -12.266 -2.147 1.00 1.00 H new ATOM 0 HA2 GLY A 18 66.359 -12.340 -4.326 1.00 1.00 H new ATOM 0 HA3 GLY A 18 65.572 -13.827 -3.833 1.00 1.00 H new ATOM 273 N GLY A 19 63.590 -13.380 -5.310 1.00 1.00 N ATOM 274 CA GLY A 19 62.407 -13.099 -6.172 1.00 1.00 C ATOM 275 C GLY A 19 62.851 -12.255 -7.376 1.00 1.00 C ATOM 276 O GLY A 19 63.357 -11.165 -7.209 1.00 1.00 O ATOM 0 H GLY A 19 63.825 -14.367 -5.203 1.00 1.00 H new ATOM 0 HA2 GLY A 19 61.959 -14.033 -6.512 1.00 1.00 H new ATOM 0 HA3 GLY A 19 61.644 -12.569 -5.602 1.00 1.00 H new ATOM 280 N PRO A 20 62.670 -12.748 -8.580 1.00 1.00 N ATOM 281 CA PRO A 20 63.069 -12.009 -9.814 1.00 1.00 C ATOM 282 C PRO A 20 62.689 -10.524 -9.759 1.00 1.00 C ATOM 283 O PRO A 20 61.719 -10.098 -10.353 1.00 1.00 O ATOM 284 CB PRO A 20 62.298 -12.726 -10.923 1.00 1.00 C ATOM 285 CG PRO A 20 62.135 -14.127 -10.430 1.00 1.00 C ATOM 286 CD PRO A 20 62.070 -14.054 -8.900 1.00 1.00 C ATOM 0 HA PRO A 20 64.149 -12.013 -9.960 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.332 -12.254 -11.101 1.00 1.00 H new ATOM 0 HB3 PRO A 20 62.845 -12.699 -11.866 1.00 1.00 H new ATOM 0 HG2 PRO A 20 61.228 -14.576 -10.834 1.00 1.00 H new ATOM 0 HG3 PRO A 20 62.970 -14.750 -10.752 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.043 -14.120 -8.540 1.00 1.00 H new ATOM 0 HD3 PRO A 20 62.623 -14.871 -8.438 1.00 1.00 H new ATOM 294 N CYS A 21 63.452 -9.735 -9.054 1.00 1.00 N ATOM 295 CA CYS A 21 63.142 -8.280 -8.963 1.00 1.00 C ATOM 296 C CYS A 21 63.743 -7.559 -10.171 1.00 1.00 C ATOM 297 O CYS A 21 64.576 -8.098 -10.873 1.00 1.00 O ATOM 298 CB CYS A 21 63.742 -7.707 -7.676 1.00 1.00 C ATOM 299 SG CYS A 21 62.832 -6.217 -7.200 1.00 1.00 S ATOM 0 H CYS A 21 64.278 -10.035 -8.536 1.00 1.00 H new ATOM 0 HA CYS A 21 62.061 -8.138 -8.952 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.692 -8.447 -6.878 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.795 -7.471 -7.827 1.00 1.00 H new ATOM 304 N THR A 22 63.325 -6.345 -10.422 1.00 1.00 N ATOM 305 CA THR A 22 63.872 -5.587 -11.587 1.00 1.00 C ATOM 306 C THR A 22 64.682 -4.385 -11.082 1.00 1.00 C ATOM 307 O THR A 22 64.131 -3.340 -10.797 1.00 1.00 O ATOM 308 CB THR A 22 62.708 -5.081 -12.443 1.00 1.00 C ATOM 309 OG1 THR A 22 62.022 -6.189 -13.008 1.00 1.00 O ATOM 310 CG2 THR A 22 63.245 -4.186 -13.561 1.00 1.00 C ATOM 0 H THR A 22 62.628 -5.845 -9.870 1.00 1.00 H new ATOM 0 HA THR A 22 64.516 -6.239 -12.178 1.00 1.00 H new ATOM 0 HB THR A 22 62.021 -4.507 -11.821 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.275 -5.867 -13.555 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.415 -3.827 -14.170 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.771 -3.336 -13.126 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.932 -4.757 -14.185 1.00 1.00 H new ATOM 318 N PRO A 23 65.983 -4.522 -10.982 1.00 1.00 N ATOM 319 CA PRO A 23 66.873 -3.415 -10.517 1.00 1.00 C ATOM 320 C PRO A 23 66.767 -2.177 -11.415 1.00 1.00 C ATOM 321 O PRO A 23 65.713 -1.862 -11.932 1.00 1.00 O ATOM 322 CB PRO A 23 68.288 -4.010 -10.590 1.00 1.00 C ATOM 323 CG PRO A 23 68.101 -5.491 -10.634 1.00 1.00 C ATOM 324 CD PRO A 23 66.744 -5.741 -11.293 1.00 1.00 C ATOM 0 HA PRO A 23 66.602 -3.076 -9.517 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.817 -3.656 -11.475 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.882 -3.716 -9.725 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.901 -5.966 -11.202 1.00 1.00 H new ATOM 0 HG3 PRO A 23 68.128 -5.915 -9.630 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.841 -5.890 -12.368 1.00 1.00 H new ATOM 0 HD3 PRO A 23 66.260 -6.631 -10.890 1.00 1.00 H new ATOM 332 N ARG A 24 67.853 -1.478 -11.607 1.00 1.00 N ATOM 333 CA ARG A 24 67.823 -0.266 -12.475 1.00 1.00 C ATOM 334 C ARG A 24 68.288 -0.642 -13.884 1.00 1.00 C ATOM 335 O ARG A 24 67.822 -0.101 -14.867 1.00 1.00 O ATOM 336 CB ARG A 24 68.755 0.802 -11.893 1.00 1.00 C ATOM 337 CG ARG A 24 70.020 0.135 -11.350 1.00 1.00 C ATOM 338 CD ARG A 24 71.012 1.210 -10.900 1.00 1.00 C ATOM 339 NE ARG A 24 70.534 1.826 -9.630 1.00 1.00 N ATOM 340 CZ ARG A 24 70.723 1.211 -8.495 1.00 1.00 C ATOM 341 NH1 ARG A 24 71.331 0.056 -8.472 1.00 1.00 N ATOM 342 NH2 ARG A 24 70.304 1.750 -7.383 1.00 1.00 N ATOM 0 H ARG A 24 68.762 -1.695 -11.199 1.00 1.00 H new ATOM 0 HA ARG A 24 66.808 0.128 -12.520 1.00 1.00 H new ATOM 0 HB2 ARG A 24 69.016 1.530 -12.661 1.00 1.00 H new ATOM 0 HB3 ARG A 24 68.248 1.347 -11.097 1.00 1.00 H new ATOM 0 HG2 ARG A 24 69.769 -0.517 -10.513 1.00 1.00 H new ATOM 0 HG3 ARG A 24 70.471 -0.492 -12.119 1.00 1.00 H new ATOM 0 HD2 ARG A 24 71.999 0.771 -10.755 1.00 1.00 H new ATOM 0 HD3 ARG A 24 71.113 1.973 -11.672 1.00 1.00 H new ATOM 0 HE ARG A 24 70.059 2.728 -9.648 1.00 1.00 H new ATOM 0 HH11 ARG A 24 71.658 -0.365 -9.341 1.00 1.00 H new ATOM 0 HH12 ARG A 24 71.479 -0.425 -7.585 1.00 1.00 H new ATOM 0 HH21 ARG A 24 69.829 2.652 -7.401 1.00 1.00 H new ATOM 0 HH22 ARG A 24 70.452 1.269 -6.496 1.00 1.00 H new ATOM 356 N LYS A 25 69.202 -1.570 -13.989 1.00 1.00 N ATOM 357 CA LYS A 25 69.697 -1.988 -15.333 1.00 1.00 C ATOM 358 C LYS A 25 69.964 -3.496 -15.329 1.00 1.00 C ATOM 359 O LYS A 25 69.191 -4.273 -15.851 1.00 1.00 O ATOM 360 CB LYS A 25 70.999 -1.241 -15.659 1.00 1.00 C ATOM 361 CG LYS A 25 70.678 0.176 -16.140 1.00 1.00 C ATOM 362 CD LYS A 25 71.032 1.180 -15.042 1.00 1.00 C ATOM 363 CE LYS A 25 72.539 1.444 -15.057 1.00 1.00 C ATOM 364 NZ LYS A 25 72.849 2.605 -14.176 1.00 1.00 N ATOM 0 H LYS A 25 69.628 -2.057 -13.201 1.00 1.00 H new ATOM 0 HA LYS A 25 68.945 -1.750 -16.086 1.00 1.00 H new ATOM 0 HB2 LYS A 25 71.636 -1.199 -14.775 1.00 1.00 H new ATOM 0 HB3 LYS A 25 71.555 -1.778 -16.427 1.00 1.00 H new ATOM 0 HG2 LYS A 25 71.240 0.400 -17.047 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.621 0.255 -16.393 1.00 1.00 H new ATOM 0 HD2 LYS A 25 70.488 2.111 -15.197 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.730 0.792 -14.069 1.00 1.00 H new ATOM 0 HE2 LYS A 25 73.077 0.560 -14.715 1.00 1.00 H new ATOM 0 HE3 LYS A 25 72.873 1.646 -16.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 73.860 2.838 -14.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.282 3.425 -14.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 72.622 2.363 -13.190 1.00 1.00 H new ATOM 378 N GLY A 26 71.055 -3.915 -14.748 1.00 1.00 N ATOM 379 CA GLY A 26 71.370 -5.372 -14.718 1.00 1.00 C ATOM 380 C GLY A 26 72.385 -5.657 -13.608 1.00 1.00 C ATOM 381 O GLY A 26 72.854 -4.755 -12.942 1.00 1.00 O ATOM 0 H GLY A 26 71.741 -3.313 -14.293 1.00 1.00 H new ATOM 0 HA2 GLY A 26 70.460 -5.947 -14.548 1.00 1.00 H new ATOM 0 HA3 GLY A 26 71.772 -5.687 -15.681 1.00 1.00 H new ATOM 385 N PRO A 27 72.723 -6.906 -13.410 1.00 1.00 N ATOM 386 CA PRO A 27 73.698 -7.323 -12.366 1.00 1.00 C ATOM 387 C PRO A 27 74.920 -6.396 -12.323 1.00 1.00 C ATOM 388 O PRO A 27 75.087 -5.540 -13.168 1.00 1.00 O ATOM 389 CB PRO A 27 74.107 -8.753 -12.773 1.00 1.00 C ATOM 390 CG PRO A 27 73.351 -9.082 -14.024 1.00 1.00 C ATOM 391 CD PRO A 27 72.221 -8.061 -14.160 1.00 1.00 C ATOM 0 HA PRO A 27 73.265 -7.277 -11.367 1.00 1.00 H new ATOM 0 HB2 PRO A 27 75.182 -8.813 -12.944 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.870 -9.463 -11.981 1.00 1.00 H new ATOM 0 HG2 PRO A 27 74.010 -9.043 -14.892 1.00 1.00 H new ATOM 0 HG3 PRO A 27 72.949 -10.094 -13.974 1.00 1.00 H new ATOM 0 HD2 PRO A 27 72.027 -7.811 -15.203 1.00 1.00 H new ATOM 0 HD3 PRO A 27 71.286 -8.437 -13.744 1.00 1.00 H new ATOM 399 N PRO A 28 75.765 -6.568 -11.341 1.00 1.00 N ATOM 400 CA PRO A 28 76.990 -5.738 -11.178 1.00 1.00 C ATOM 401 C PRO A 28 77.671 -5.437 -12.516 1.00 1.00 C ATOM 402 O PRO A 28 77.922 -6.321 -13.311 1.00 1.00 O ATOM 403 CB PRO A 28 77.882 -6.608 -10.294 1.00 1.00 C ATOM 404 CG PRO A 28 76.935 -7.401 -9.454 1.00 1.00 C ATOM 405 CD PRO A 28 75.651 -7.576 -10.274 1.00 1.00 C ATOM 0 HA PRO A 28 76.773 -4.758 -10.752 1.00 1.00 H new ATOM 0 HB2 PRO A 28 78.518 -7.259 -10.894 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.542 -5.998 -9.677 1.00 1.00 H new ATOM 0 HG2 PRO A 28 77.364 -8.370 -9.198 1.00 1.00 H new ATOM 0 HG3 PRO A 28 76.727 -6.886 -8.516 1.00 1.00 H new ATOM 0 HD2 PRO A 28 75.574 -8.583 -10.684 1.00 1.00 H new ATOM 0 HD3 PRO A 28 74.763 -7.412 -9.664 1.00 1.00 H new ATOM 413 N LYS A 29 77.970 -4.192 -12.771 1.00 1.00 N ATOM 414 CA LYS A 29 78.631 -3.830 -14.056 1.00 1.00 C ATOM 415 C LYS A 29 79.320 -2.470 -13.905 1.00 1.00 C ATOM 416 O LYS A 29 79.973 -2.204 -12.916 1.00 1.00 O ATOM 417 CB LYS A 29 77.578 -3.760 -15.165 1.00 1.00 C ATOM 418 CG LYS A 29 76.439 -2.835 -14.731 1.00 1.00 C ATOM 419 CD LYS A 29 75.461 -2.650 -15.893 1.00 1.00 C ATOM 420 CE LYS A 29 74.625 -3.920 -16.065 1.00 1.00 C ATOM 421 NZ LYS A 29 75.389 -4.912 -16.873 1.00 1.00 N ATOM 0 H LYS A 29 77.785 -3.409 -12.144 1.00 1.00 H new ATOM 0 HA LYS A 29 79.375 -4.583 -14.314 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.029 -3.391 -16.086 1.00 1.00 H new ATOM 0 HB3 LYS A 29 77.191 -4.757 -15.376 1.00 1.00 H new ATOM 0 HG2 LYS A 29 75.921 -3.257 -13.870 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.839 -1.869 -14.421 1.00 1.00 H new ATOM 0 HD2 LYS A 29 74.810 -1.797 -15.702 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.007 -2.435 -16.811 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.379 -4.341 -15.090 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.682 -3.683 -16.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 74.800 -5.242 -17.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 76.251 -4.466 -17.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 75.649 -5.721 -16.274 1.00 1.00 H new ATOM 435 N CYS A 30 79.181 -1.607 -14.874 1.00 1.00 N ATOM 436 CA CYS A 30 79.830 -0.269 -14.775 1.00 1.00 C ATOM 437 C CYS A 30 81.304 -0.444 -14.406 1.00 1.00 C ATOM 438 O CYS A 30 81.844 -1.531 -14.460 1.00 1.00 O ATOM 439 CB CYS A 30 79.136 0.558 -13.691 1.00 1.00 C ATOM 440 SG CYS A 30 77.413 0.832 -14.177 1.00 1.00 S ATOM 0 H CYS A 30 78.647 -1.770 -15.728 1.00 1.00 H new ATOM 0 HA CYS A 30 79.749 0.243 -15.734 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.180 0.038 -12.734 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.647 1.512 -13.559 1.00 1.00 H new ATOM 445 N LYS A 31 81.954 0.622 -14.020 1.00 1.00 N ATOM 446 CA LYS A 31 83.391 0.531 -13.631 1.00 1.00 C ATOM 447 C LYS A 31 83.494 0.559 -12.104 1.00 1.00 C ATOM 448 O LYS A 31 82.884 1.382 -11.450 1.00 1.00 O ATOM 449 CB LYS A 31 84.152 1.722 -14.220 1.00 1.00 C ATOM 450 CG LYS A 31 83.273 2.973 -14.154 1.00 1.00 C ATOM 451 CD LYS A 31 84.098 4.198 -14.553 1.00 1.00 C ATOM 452 CE LYS A 31 83.262 5.464 -14.353 1.00 1.00 C ATOM 453 NZ LYS A 31 81.870 5.219 -14.824 1.00 1.00 N ATOM 0 H LYS A 31 81.549 1.556 -13.957 1.00 1.00 H new ATOM 0 HA LYS A 31 83.822 -0.395 -14.011 1.00 1.00 H new ATOM 0 HB2 LYS A 31 85.077 1.885 -13.667 1.00 1.00 H new ATOM 0 HB3 LYS A 31 84.430 1.514 -15.253 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.417 2.865 -14.821 1.00 1.00 H new ATOM 0 HG3 LYS A 31 82.878 3.100 -13.146 1.00 1.00 H new ATOM 0 HD2 LYS A 31 85.006 4.250 -13.952 1.00 1.00 H new ATOM 0 HD3 LYS A 31 84.410 4.116 -15.594 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.257 5.747 -13.300 1.00 1.00 H new ATOM 0 HE3 LYS A 31 83.703 6.295 -14.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 81.413 6.127 -15.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 81.892 4.628 -15.679 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 81.332 4.731 -14.079 1.00 1.00 H new ATOM 467 N GLN A 32 84.253 -0.337 -11.530 1.00 1.00 N ATOM 468 CA GLN A 32 84.387 -0.364 -10.043 1.00 1.00 C ATOM 469 C GLN A 32 85.858 -0.533 -9.661 1.00 1.00 C ATOM 470 O GLN A 32 86.263 -0.219 -8.560 1.00 1.00 O ATOM 471 CB GLN A 32 83.573 -1.533 -9.480 1.00 1.00 C ATOM 472 CG GLN A 32 84.031 -2.838 -10.134 1.00 1.00 C ATOM 473 CD GLN A 32 82.939 -3.898 -9.979 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.820 -4.518 -8.941 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.130 -4.134 -10.975 1.00 1.00 N ATOM 0 H GLN A 32 84.786 -1.051 -12.026 1.00 1.00 H new ATOM 0 HA GLN A 32 84.014 0.573 -9.629 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.701 -1.591 -8.399 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.511 -1.374 -9.667 1.00 1.00 H new ATOM 0 HG2 GLN A 32 84.244 -2.672 -11.190 1.00 1.00 H new ATOM 0 HG3 GLN A 32 84.956 -3.183 -9.672 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.229 -3.614 -11.847 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.398 -4.839 -10.882 1.00 1.00 H new ATOM 484 N ARG A 33 86.661 -1.021 -10.563 1.00 1.00 N ATOM 485 CA ARG A 33 88.106 -1.201 -10.249 1.00 1.00 C ATOM 486 C ARG A 33 88.727 0.163 -9.958 1.00 1.00 C ATOM 487 O ARG A 33 89.316 0.384 -8.919 1.00 1.00 O ATOM 488 CB ARG A 33 88.815 -1.844 -11.447 1.00 1.00 C ATOM 489 CG ARG A 33 90.268 -2.154 -11.082 1.00 1.00 C ATOM 490 CD ARG A 33 90.424 -3.657 -10.840 1.00 1.00 C ATOM 491 NE ARG A 33 89.655 -4.047 -9.625 1.00 1.00 N ATOM 492 CZ ARG A 33 89.989 -5.117 -8.957 1.00 1.00 C ATOM 493 NH1 ARG A 33 90.996 -5.846 -9.353 1.00 1.00 N ATOM 494 NH2 ARG A 33 89.315 -5.459 -7.893 1.00 1.00 N ATOM 0 H ARG A 33 86.381 -1.303 -11.502 1.00 1.00 H new ATOM 0 HA ARG A 33 88.216 -1.847 -9.378 1.00 1.00 H new ATOM 0 HB2 ARG A 33 88.300 -2.760 -11.738 1.00 1.00 H new ATOM 0 HB3 ARG A 33 88.781 -1.173 -12.305 1.00 1.00 H new ATOM 0 HG2 ARG A 33 90.932 -1.833 -11.885 1.00 1.00 H new ATOM 0 HG3 ARG A 33 90.556 -1.599 -10.189 1.00 1.00 H new ATOM 0 HD2 ARG A 33 90.065 -4.215 -11.705 1.00 1.00 H new ATOM 0 HD3 ARG A 33 91.477 -3.908 -10.713 1.00 1.00 H new ATOM 0 HE ARG A 33 88.867 -3.478 -9.315 1.00 1.00 H new ATOM 0 HH11 ARG A 33 91.522 -5.580 -10.185 1.00 1.00 H new ATOM 0 HH12 ARG A 33 91.257 -6.682 -8.831 1.00 1.00 H new ATOM 0 HH21 ARG A 33 88.527 -4.890 -7.584 1.00 1.00 H new ATOM 0 HH22 ARG A 33 89.576 -6.295 -7.371 1.00 1.00 H new ATOM 508 N GLN A 34 88.592 1.078 -10.873 1.00 1.00 N ATOM 509 CA GLN A 34 89.165 2.440 -10.670 1.00 1.00 C ATOM 510 C GLN A 34 90.581 2.322 -10.097 1.00 1.00 C ATOM 511 O GLN A 34 91.320 1.417 -10.430 1.00 1.00 O ATOM 512 CB GLN A 34 88.274 3.226 -9.698 1.00 1.00 C ATOM 513 CG GLN A 34 88.348 4.718 -10.028 1.00 1.00 C ATOM 514 CD GLN A 34 87.469 5.502 -9.051 1.00 1.00 C ATOM 515 OE1 GLN A 34 87.462 5.170 -7.789 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 86.782 6.425 -9.440 1.00 1.00 N flip ATOM 0 H GLN A 34 88.106 0.943 -11.760 1.00 1.00 H new ATOM 0 HA GLN A 34 89.209 2.964 -11.625 1.00 1.00 H new ATOM 0 HB2 GLN A 34 87.244 2.878 -9.770 1.00 1.00 H new ATOM 0 HB3 GLN A 34 88.597 3.054 -8.671 1.00 1.00 H new ATOM 0 HG2 GLN A 34 89.379 5.065 -9.964 1.00 1.00 H new ATOM 0 HG3 GLN A 34 88.016 4.892 -11.052 1.00 1.00 H new ATOM 0 HE21 GLN A 34 86.788 6.684 -10.426 1.00 1.00 H new ATOM 0 HE22 GLN A 34 86.200 6.941 -8.780 1.00 1.00 H new ATOM 525 N THR A 35 90.961 3.231 -9.237 1.00 1.00 N ATOM 526 CA THR A 35 92.327 3.180 -8.636 1.00 1.00 C ATOM 527 C THR A 35 92.208 2.923 -7.133 1.00 1.00 C ATOM 528 O THR A 35 93.194 2.826 -6.430 1.00 1.00 O ATOM 529 CB THR A 35 93.035 4.518 -8.873 1.00 1.00 C ATOM 530 OG1 THR A 35 92.760 4.970 -10.191 1.00 1.00 O ATOM 531 CG2 THR A 35 94.544 4.337 -8.698 1.00 1.00 C ATOM 0 H THR A 35 90.381 4.010 -8.924 1.00 1.00 H new ATOM 0 HA THR A 35 92.903 2.378 -9.098 1.00 1.00 H new ATOM 0 HB THR A 35 92.674 5.253 -8.154 1.00 1.00 H new ATOM 0 HG1 THR A 35 93.211 5.827 -10.344 1.00 1.00 H new ATOM 0 HG21 THR A 35 95.047 5.289 -8.867 1.00 1.00 H new ATOM 0 HG22 THR A 35 94.754 3.990 -7.686 1.00 1.00 H new ATOM 0 HG23 THR A 35 94.908 3.602 -9.416 1.00 1.00 H new ATOM 539 N ARG A 36 91.007 2.812 -6.633 1.00 1.00 N ATOM 540 CA ARG A 36 90.827 2.563 -5.176 1.00 1.00 C ATOM 541 C ARG A 36 91.643 3.584 -4.381 1.00 1.00 C ATOM 542 O ARG A 36 92.823 3.407 -4.152 1.00 1.00 O ATOM 543 CB ARG A 36 91.307 1.150 -4.835 1.00 1.00 C ATOM 544 CG ARG A 36 90.339 0.124 -5.428 1.00 1.00 C ATOM 545 CD ARG A 36 90.666 -1.265 -4.877 1.00 1.00 C ATOM 546 NE ARG A 36 90.580 -1.242 -3.389 1.00 1.00 N ATOM 547 CZ ARG A 36 91.191 -2.156 -2.686 1.00 1.00 C ATOM 548 NH1 ARG A 36 91.877 -3.090 -3.286 1.00 1.00 N ATOM 549 NH2 ARG A 36 91.116 -2.137 -1.384 1.00 1.00 N ATOM 0 H ARG A 36 90.144 2.883 -7.171 1.00 1.00 H new ATOM 0 HA ARG A 36 89.772 2.659 -4.919 1.00 1.00 H new ATOM 0 HB2 ARG A 36 92.310 0.990 -5.230 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.367 1.026 -3.754 1.00 1.00 H new ATOM 0 HG2 ARG A 36 89.312 0.392 -5.181 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.415 0.123 -6.515 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.971 -2.001 -5.281 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.666 -1.566 -5.190 1.00 1.00 H new ATOM 0 HE ARG A 36 90.044 -0.512 -2.920 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.936 -3.105 -4.304 1.00 1.00 H new ATOM 0 HH12 ARG A 36 92.355 -3.805 -2.737 1.00 1.00 H new ATOM 0 HH21 ARG A 36 90.579 -1.407 -0.915 1.00 1.00 H new ATOM 0 HH22 ARG A 36 91.594 -2.852 -0.835 1.00 1.00 H new ATOM 563 N GLN A 37 91.024 4.653 -3.960 1.00 1.00 N ATOM 564 CA GLN A 37 91.765 5.686 -3.181 1.00 1.00 C ATOM 565 C GLN A 37 90.807 6.366 -2.199 1.00 1.00 C ATOM 566 O GLN A 37 89.798 5.809 -1.816 1.00 1.00 O ATOM 567 CB GLN A 37 92.343 6.732 -4.144 1.00 1.00 C ATOM 568 CG GLN A 37 93.438 7.535 -3.440 1.00 1.00 C ATOM 569 CD GLN A 37 94.771 7.322 -4.159 1.00 1.00 C ATOM 570 OE1 GLN A 37 95.719 6.836 -3.575 1.00 1.00 O ATOM 571 NE2 GLN A 37 94.885 7.667 -5.412 1.00 1.00 N ATOM 0 H GLN A 37 90.038 4.856 -4.122 1.00 1.00 H new ATOM 0 HA GLN A 37 92.577 5.215 -2.627 1.00 1.00 H new ATOM 0 HB2 GLN A 37 92.751 6.240 -5.027 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.553 7.400 -4.487 1.00 1.00 H new ATOM 0 HG2 GLN A 37 93.181 8.594 -3.435 1.00 1.00 H new ATOM 0 HG3 GLN A 37 93.520 7.222 -2.399 1.00 1.00 H new ATOM 0 HE21 GLN A 37 94.090 8.075 -5.903 1.00 1.00 H new ATOM 0 HE22 GLN A 37 95.770 7.529 -5.901 1.00 1.00 H new ATOM 580 N CYS A 38 91.115 7.565 -1.790 1.00 1.00 N ATOM 581 CA CYS A 38 90.226 8.282 -0.832 1.00 1.00 C ATOM 582 C CYS A 38 90.129 7.481 0.469 1.00 1.00 C ATOM 583 O CYS A 38 89.422 7.851 1.385 1.00 1.00 O ATOM 584 CB CYS A 38 88.833 8.450 -1.454 1.00 1.00 C ATOM 585 SG CYS A 38 87.714 7.200 -0.780 1.00 1.00 S ATOM 0 H CYS A 38 91.946 8.081 -2.078 1.00 1.00 H new ATOM 0 HA CYS A 38 90.638 9.267 -0.614 1.00 1.00 H new ATOM 0 HB2 CYS A 38 88.448 9.448 -1.245 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.893 8.352 -2.538 1.00 1.00 H new ATOM 590 N LYS A 39 90.844 6.390 0.560 1.00 1.00 N ATOM 591 CA LYS A 39 90.808 5.565 1.803 1.00 1.00 C ATOM 592 C LYS A 39 92.049 5.878 2.641 1.00 1.00 C ATOM 593 O LYS A 39 93.068 6.291 2.125 1.00 1.00 O ATOM 594 CB LYS A 39 90.796 4.079 1.432 1.00 1.00 C ATOM 595 CG LYS A 39 91.658 3.855 0.188 1.00 1.00 C ATOM 596 CD LYS A 39 91.840 2.354 -0.045 1.00 1.00 C ATOM 597 CE LYS A 39 93.072 1.864 0.718 1.00 1.00 C ATOM 598 NZ LYS A 39 94.301 2.204 -0.053 1.00 1.00 N ATOM 0 H LYS A 39 91.454 6.034 -0.176 1.00 1.00 H new ATOM 0 HA LYS A 39 89.910 5.796 2.376 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.176 3.483 2.262 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.774 3.749 1.244 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.187 4.314 -0.681 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.629 4.334 0.314 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.954 1.814 0.288 1.00 1.00 H new ATOM 0 HD3 LYS A 39 91.955 2.152 -1.110 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.109 2.326 1.705 1.00 1.00 H new ATOM 0 HE3 LYS A 39 93.013 0.787 0.872 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.121 1.728 0.374 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 94.191 1.889 -1.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 94.449 3.233 -0.034 1.00 1.00 H new ATOM 612 N SER A 40 91.969 5.696 3.931 1.00 1.00 N ATOM 613 CA SER A 40 93.144 5.996 4.801 1.00 1.00 C ATOM 614 C SER A 40 93.375 7.509 4.825 1.00 1.00 C ATOM 615 O SER A 40 93.867 8.060 5.790 1.00 1.00 O ATOM 616 CB SER A 40 94.386 5.290 4.248 1.00 1.00 C ATOM 617 OG SER A 40 93.993 4.080 3.614 1.00 1.00 O ATOM 0 H SER A 40 91.142 5.353 4.420 1.00 1.00 H new ATOM 0 HA SER A 40 92.954 5.640 5.813 1.00 1.00 H new ATOM 0 HB2 SER A 40 94.900 5.937 3.537 1.00 1.00 H new ATOM 0 HB3 SER A 40 95.089 5.080 5.054 1.00 1.00 H new ATOM 0 HG SER A 40 94.785 3.626 3.257 1.00 1.00 H new ATOM 623 N LYS A 41 93.013 8.183 3.766 1.00 1.00 N ATOM 624 CA LYS A 41 93.193 9.661 3.703 1.00 1.00 C ATOM 625 C LYS A 41 91.925 10.280 3.098 1.00 1.00 C ATOM 626 O LYS A 41 91.820 10.426 1.897 1.00 1.00 O ATOM 627 CB LYS A 41 94.396 9.987 2.813 1.00 1.00 C ATOM 628 CG LYS A 41 94.451 9.000 1.645 1.00 1.00 C ATOM 629 CD LYS A 41 95.504 9.460 0.636 1.00 1.00 C ATOM 630 CE LYS A 41 96.862 9.574 1.330 1.00 1.00 C ATOM 631 NZ LYS A 41 97.021 8.451 2.297 1.00 1.00 N ATOM 0 H LYS A 41 92.596 7.767 2.933 1.00 1.00 H new ATOM 0 HA LYS A 41 93.366 10.063 4.701 1.00 1.00 H new ATOM 0 HB2 LYS A 41 94.318 11.007 2.437 1.00 1.00 H new ATOM 0 HB3 LYS A 41 95.317 9.931 3.394 1.00 1.00 H new ATOM 0 HG2 LYS A 41 94.693 8.002 2.010 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.475 8.935 1.164 1.00 1.00 H new ATOM 0 HD2 LYS A 41 95.565 8.752 -0.190 1.00 1.00 H new ATOM 0 HD3 LYS A 41 95.219 10.422 0.211 1.00 1.00 H new ATOM 0 HE2 LYS A 41 97.663 9.548 0.591 1.00 1.00 H new ATOM 0 HE3 LYS A 41 96.938 10.529 1.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 98.032 8.253 2.436 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 96.591 8.713 3.207 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 96.550 7.602 1.924 1.00 1.00 H new ATOM 645 N PRO A 42 90.955 10.622 3.914 1.00 1.00 N ATOM 646 CA PRO A 42 89.673 11.206 3.420 1.00 1.00 C ATOM 647 C PRO A 42 89.887 12.512 2.642 1.00 1.00 C ATOM 648 O PRO A 42 90.863 13.209 2.841 1.00 1.00 O ATOM 649 CB PRO A 42 88.847 11.455 4.692 1.00 1.00 C ATOM 650 CG PRO A 42 89.816 11.391 5.828 1.00 1.00 C ATOM 651 CD PRO A 42 90.972 10.496 5.378 1.00 1.00 C ATOM 0 HA PRO A 42 89.177 10.536 2.718 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.354 12.426 4.654 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.065 10.704 4.803 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.176 12.387 6.084 1.00 1.00 H new ATOM 0 HG3 PRO A 42 89.339 10.985 6.720 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.922 10.826 5.798 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.826 9.463 5.693 1.00 1.00 H new ATOM 659 N PRO A 43 88.976 12.835 1.759 1.00 1.00 N ATOM 660 CA PRO A 43 89.054 14.074 0.929 1.00 1.00 C ATOM 661 C PRO A 43 88.820 15.342 1.757 1.00 1.00 C ATOM 662 O PRO A 43 88.354 15.284 2.877 1.00 1.00 O ATOM 663 CB PRO A 43 87.938 13.893 -0.105 1.00 1.00 C ATOM 664 CG PRO A 43 86.957 12.971 0.539 1.00 1.00 C ATOM 665 CD PRO A 43 87.766 12.053 1.458 1.00 1.00 C ATOM 0 HA PRO A 43 90.041 14.201 0.484 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.475 14.847 -0.357 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.325 13.472 -1.033 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.213 13.530 1.106 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.418 12.392 -0.211 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.213 11.807 2.365 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.010 11.111 0.968 1.00 1.00 H new ATOM 673 N LYS A 44 89.143 16.485 1.209 1.00 1.00 N ATOM 674 CA LYS A 44 88.944 17.767 1.951 1.00 1.00 C ATOM 675 C LYS A 44 87.654 17.692 2.776 1.00 1.00 C ATOM 676 O LYS A 44 87.660 17.901 3.973 1.00 1.00 O ATOM 677 CB LYS A 44 88.847 18.924 0.946 1.00 1.00 C ATOM 678 CG LYS A 44 88.356 18.390 -0.401 1.00 1.00 C ATOM 679 CD LYS A 44 87.806 19.546 -1.239 1.00 1.00 C ATOM 680 CE LYS A 44 88.845 20.667 -1.307 1.00 1.00 C ATOM 681 NZ LYS A 44 88.719 21.535 -0.102 1.00 1.00 N ATOM 0 H LYS A 44 89.538 16.586 0.274 1.00 1.00 H new ATOM 0 HA LYS A 44 89.787 17.935 2.621 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.163 19.687 1.318 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.821 19.400 0.828 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.174 17.900 -0.930 1.00 1.00 H new ATOM 0 HG3 LYS A 44 87.582 17.639 -0.246 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.565 19.198 -2.243 1.00 1.00 H new ATOM 0 HD3 LYS A 44 86.881 19.919 -0.800 1.00 1.00 H new ATOM 0 HE2 LYS A 44 89.848 20.245 -1.361 1.00 1.00 H new ATOM 0 HE3 LYS A 44 88.699 21.258 -2.211 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 88.704 22.533 -0.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 87.837 21.307 0.399 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.528 21.371 0.530 1.00 1.00 H new ATOM 695 N LYS A 45 86.552 17.392 2.147 1.00 1.00 N ATOM 696 CA LYS A 45 85.268 17.301 2.898 1.00 1.00 C ATOM 697 C LYS A 45 85.243 15.999 3.703 1.00 1.00 C ATOM 698 O LYS A 45 86.263 15.521 4.159 1.00 1.00 O ATOM 699 CB LYS A 45 84.097 17.317 1.911 1.00 1.00 C ATOM 700 CG LYS A 45 84.199 16.110 0.976 1.00 1.00 C ATOM 701 CD LYS A 45 83.360 16.364 -0.278 1.00 1.00 C ATOM 702 CE LYS A 45 83.367 15.113 -1.159 1.00 1.00 C ATOM 703 NZ LYS A 45 82.335 14.155 -0.669 1.00 1.00 N ATOM 0 H LYS A 45 86.484 17.206 1.146 1.00 1.00 H new ATOM 0 HA LYS A 45 85.180 18.150 3.576 1.00 1.00 H new ATOM 0 HB2 LYS A 45 83.151 17.292 2.452 1.00 1.00 H new ATOM 0 HB3 LYS A 45 84.108 18.241 1.332 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.239 15.936 0.701 1.00 1.00 H new ATOM 0 HG3 LYS A 45 83.849 15.212 1.485 1.00 1.00 H new ATOM 0 HD2 LYS A 45 82.338 16.619 0.001 1.00 1.00 H new ATOM 0 HD3 LYS A 45 83.761 17.213 -0.831 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.165 15.384 -2.195 1.00 1.00 H new ATOM 0 HE3 LYS A 45 84.352 14.646 -1.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 82.339 13.304 -1.267 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 82.548 13.888 0.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 81.397 14.603 -0.711 1.00 1.00 H new ATOM 717 N GLY A 46 84.087 15.420 3.882 1.00 1.00 N ATOM 718 CA GLY A 46 84.001 14.150 4.658 1.00 1.00 C ATOM 719 C GLY A 46 84.775 14.298 5.970 1.00 1.00 C ATOM 720 O GLY A 46 85.548 13.439 6.346 1.00 1.00 O ATOM 0 H GLY A 46 83.199 15.771 3.525 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.958 13.908 4.864 1.00 1.00 H new ATOM 0 HA3 GLY A 46 84.410 13.326 4.073 1.00 1.00 H new ATOM 724 N VAL A 47 84.574 15.381 6.669 1.00 1.00 N ATOM 725 CA VAL A 47 85.298 15.583 7.956 1.00 1.00 C ATOM 726 C VAL A 47 84.920 14.469 8.935 1.00 1.00 C ATOM 727 O VAL A 47 83.814 13.968 8.921 1.00 1.00 O ATOM 728 CB VAL A 47 84.909 16.937 8.551 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.335 18.055 7.598 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.393 16.988 8.750 1.00 1.00 C ATOM 0 H VAL A 47 83.940 16.135 6.405 1.00 1.00 H new ATOM 0 HA VAL A 47 86.373 15.559 7.776 1.00 1.00 H new ATOM 0 HB VAL A 47 85.408 17.069 9.511 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.058 19.020 8.022 1.00 1.00 H new ATOM 0 HG12 VAL A 47 86.415 18.019 7.454 1.00 1.00 H new ATOM 0 HG13 VAL A 47 84.836 17.924 6.638 1.00 1.00 H new ATOM 0 HG21 VAL A 47 83.114 17.953 9.174 1.00 1.00 H new ATOM 0 HG22 VAL A 47 82.895 16.856 7.789 1.00 1.00 H new ATOM 0 HG23 VAL A 47 83.088 16.191 9.429 1.00 1.00 H new ATOM 740 N GLN A 48 85.830 14.078 9.785 1.00 1.00 N ATOM 741 CA GLN A 48 85.519 12.998 10.762 1.00 1.00 C ATOM 742 C GLN A 48 84.218 13.334 11.494 1.00 1.00 C ATOM 743 O GLN A 48 84.094 14.371 12.115 1.00 1.00 O ATOM 744 CB GLN A 48 86.665 12.874 11.773 1.00 1.00 C ATOM 745 CG GLN A 48 86.853 14.204 12.506 1.00 1.00 C ATOM 746 CD GLN A 48 86.038 14.193 13.800 1.00 1.00 C ATOM 747 OE1 GLN A 48 85.987 13.196 14.492 1.00 1.00 O ATOM 748 NE2 GLN A 48 85.393 15.270 14.160 1.00 1.00 N ATOM 0 H GLN A 48 86.774 14.460 9.845 1.00 1.00 H new ATOM 0 HA GLN A 48 85.403 12.051 10.234 1.00 1.00 H new ATOM 0 HB2 GLN A 48 86.447 12.081 12.489 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.586 12.597 11.261 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.908 14.362 12.730 1.00 1.00 H new ATOM 0 HG3 GLN A 48 86.535 15.030 11.870 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.435 16.108 13.580 1.00 1.00 H new ATOM 0 HE22 GLN A 48 84.847 15.273 15.022 1.00 1.00 H new ATOM 757 N GLY A 49 83.244 12.466 11.418 1.00 1.00 N ATOM 758 CA GLY A 49 81.943 12.729 12.102 1.00 1.00 C ATOM 759 C GLY A 49 80.796 12.403 11.145 1.00 1.00 C ATOM 760 O GLY A 49 79.681 12.156 11.560 1.00 1.00 O ATOM 0 H GLY A 49 83.293 11.583 10.910 1.00 1.00 H new ATOM 0 HA2 GLY A 49 81.864 12.122 13.004 1.00 1.00 H new ATOM 0 HA3 GLY A 49 81.887 13.772 12.414 1.00 1.00 H new ATOM 764 N CYS A 50 81.065 12.400 9.867 1.00 1.00 N ATOM 765 CA CYS A 50 79.999 12.092 8.870 1.00 1.00 C ATOM 766 C CYS A 50 78.829 13.061 9.052 1.00 1.00 C ATOM 767 O CYS A 50 78.212 13.119 10.097 1.00 1.00 O ATOM 768 CB CYS A 50 79.512 10.652 9.067 1.00 1.00 C ATOM 769 SG CYS A 50 80.432 9.539 7.974 1.00 1.00 S ATOM 0 H CYS A 50 81.983 12.599 9.469 1.00 1.00 H new ATOM 0 HA CYS A 50 80.403 12.201 7.864 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.648 10.351 10.106 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.445 10.587 8.853 1.00 1.00 H new ATOM 774 N GLY A 51 78.517 13.821 8.035 1.00 1.00 N ATOM 775 CA GLY A 51 77.384 14.789 8.134 1.00 1.00 C ATOM 776 C GLY A 51 76.475 14.629 6.914 1.00 1.00 C ATOM 777 O GLY A 51 76.751 13.853 6.021 1.00 1.00 O ATOM 0 H GLY A 51 79.000 13.813 7.137 1.00 1.00 H new ATOM 0 HA2 GLY A 51 76.819 14.612 9.049 1.00 1.00 H new ATOM 0 HA3 GLY A 51 77.765 15.809 8.187 1.00 1.00 H new ATOM 781 N ASP A 52 75.393 15.356 6.868 1.00 1.00 N ATOM 782 CA ASP A 52 74.470 15.242 5.705 1.00 1.00 C ATOM 783 C ASP A 52 75.110 15.900 4.480 1.00 1.00 C ATOM 784 O ASP A 52 74.522 16.750 3.842 1.00 1.00 O ATOM 785 CB ASP A 52 73.149 15.944 6.030 1.00 1.00 C ATOM 786 CG ASP A 52 73.437 17.295 6.688 1.00 1.00 C ATOM 787 OD1 ASP A 52 73.919 17.294 7.809 1.00 1.00 O ATOM 788 OD2 ASP A 52 73.171 18.306 6.060 1.00 1.00 O ATOM 0 H ASP A 52 75.109 16.023 7.585 1.00 1.00 H new ATOM 0 HA ASP A 52 74.279 14.190 5.494 1.00 1.00 H new ATOM 0 HB2 ASP A 52 72.568 16.088 5.119 1.00 1.00 H new ATOM 0 HB3 ASP A 52 72.550 15.324 6.696 1.00 1.00 H new ATOM 793 N ASP A 53 76.310 15.511 4.145 1.00 1.00 N ATOM 794 CA ASP A 53 76.985 16.114 2.961 1.00 1.00 C ATOM 795 C ASP A 53 76.021 16.116 1.774 1.00 1.00 C ATOM 796 O ASP A 53 74.958 15.529 1.825 1.00 1.00 O ATOM 797 CB ASP A 53 78.227 15.293 2.608 1.00 1.00 C ATOM 798 CG ASP A 53 79.316 15.537 3.654 1.00 1.00 C ATOM 799 OD1 ASP A 53 79.335 14.819 4.640 1.00 1.00 O ATOM 800 OD2 ASP A 53 80.113 16.439 3.452 1.00 1.00 O ATOM 0 H ASP A 53 76.852 14.802 4.640 1.00 1.00 H new ATOM 0 HA ASP A 53 77.281 17.137 3.192 1.00 1.00 H new ATOM 0 HB2 ASP A 53 77.976 14.233 2.570 1.00 1.00 H new ATOM 0 HB3 ASP A 53 78.590 15.571 1.618 1.00 1.00 H new ATOM 805 N ILE A 54 76.380 16.771 0.704 1.00 1.00 N ATOM 806 CA ILE A 54 75.478 16.806 -0.481 1.00 1.00 C ATOM 807 C ILE A 54 75.088 15.372 -0.863 1.00 1.00 C ATOM 808 O ILE A 54 75.893 14.466 -0.779 1.00 1.00 O ATOM 809 CB ILE A 54 76.206 17.468 -1.654 1.00 1.00 C ATOM 810 CG1 ILE A 54 77.391 16.596 -2.075 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.715 18.846 -1.228 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.257 17.360 -3.077 1.00 1.00 C ATOM 0 H ILE A 54 77.257 17.282 0.599 1.00 1.00 H new ATOM 0 HA ILE A 54 74.580 17.377 -0.243 1.00 1.00 H new ATOM 0 HB ILE A 54 75.518 17.578 -2.492 1.00 1.00 H new ATOM 0 HG12 ILE A 54 77.983 16.322 -1.202 1.00 1.00 H new ATOM 0 HG13 ILE A 54 77.033 15.668 -2.521 1.00 1.00 H new ATOM 0 HG21 ILE A 54 77.233 19.317 -2.063 1.00 1.00 H new ATOM 0 HG22 ILE A 54 75.872 19.468 -0.927 1.00 1.00 H new ATOM 0 HG23 ILE A 54 77.403 18.737 -0.390 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.101 16.739 -3.377 1.00 1.00 H new ATOM 0 HD12 ILE A 54 77.662 17.611 -3.955 1.00 1.00 H new ATOM 0 HD13 ILE A 54 78.627 18.275 -2.615 1.00 1.00 H new ATOM 824 N PRO A 55 73.864 15.163 -1.282 1.00 1.00 N ATOM 825 CA PRO A 55 73.375 13.811 -1.683 1.00 1.00 C ATOM 826 C PRO A 55 73.949 13.374 -3.036 1.00 1.00 C ATOM 827 O PRO A 55 73.242 12.885 -3.895 1.00 1.00 O ATOM 828 CB PRO A 55 71.856 13.990 -1.769 1.00 1.00 C ATOM 829 CG PRO A 55 71.658 15.435 -2.086 1.00 1.00 C ATOM 830 CD PRO A 55 72.816 16.187 -1.424 1.00 1.00 C ATOM 0 HA PRO A 55 73.679 13.036 -0.979 1.00 1.00 H new ATOM 0 HB2 PRO A 55 71.426 13.353 -2.542 1.00 1.00 H new ATOM 0 HB3 PRO A 55 71.373 13.722 -0.830 1.00 1.00 H new ATOM 0 HG2 PRO A 55 71.654 15.599 -3.164 1.00 1.00 H new ATOM 0 HG3 PRO A 55 70.699 15.788 -1.707 1.00 1.00 H new ATOM 0 HD2 PRO A 55 73.153 17.022 -2.038 1.00 1.00 H new ATOM 0 HD3 PRO A 55 72.525 16.599 -0.457 1.00 1.00 H new ATOM 838 N GLY A 56 75.227 13.551 -3.234 1.00 1.00 N ATOM 839 CA GLY A 56 75.841 13.151 -4.531 1.00 1.00 C ATOM 840 C GLY A 56 75.304 14.053 -5.641 1.00 1.00 C ATOM 841 O GLY A 56 75.162 13.643 -6.776 1.00 1.00 O ATOM 0 H GLY A 56 75.871 13.955 -2.554 1.00 1.00 H new ATOM 0 HA2 GLY A 56 76.926 13.232 -4.473 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.610 12.108 -4.750 1.00 1.00 H new ATOM 845 N MET A 57 74.999 15.281 -5.321 1.00 1.00 N ATOM 846 CA MET A 57 74.467 16.212 -6.355 1.00 1.00 C ATOM 847 C MET A 57 73.239 15.581 -7.015 1.00 1.00 C ATOM 848 O MET A 57 73.146 15.496 -8.222 1.00 1.00 O ATOM 849 CB MET A 57 75.547 16.471 -7.413 1.00 1.00 C ATOM 850 CG MET A 57 75.137 17.655 -8.291 1.00 1.00 C ATOM 851 SD MET A 57 74.517 17.042 -9.878 1.00 1.00 S ATOM 852 CE MET A 57 73.430 18.440 -10.251 1.00 1.00 C ATOM 0 H MET A 57 75.096 15.680 -4.387 1.00 1.00 H new ATOM 0 HA MET A 57 74.185 17.157 -5.890 1.00 1.00 H new ATOM 0 HB2 MET A 57 76.501 16.678 -6.929 1.00 1.00 H new ATOM 0 HB3 MET A 57 75.688 15.582 -8.028 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.368 18.244 -7.791 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.989 18.315 -8.452 1.00 1.00 H new ATOM 0 HE1 MET A 57 72.934 18.271 -11.207 1.00 1.00 H new ATOM 0 HE2 MET A 57 72.680 18.537 -9.466 1.00 1.00 H new ATOM 0 HE3 MET A 57 74.020 19.355 -10.305 1.00 1.00 H new ATOM 862 N GLU A 58 72.296 15.136 -6.228 1.00 1.00 N ATOM 863 CA GLU A 58 71.072 14.507 -6.805 1.00 1.00 C ATOM 864 C GLU A 58 69.852 14.916 -5.972 1.00 1.00 C ATOM 865 O GLU A 58 69.021 15.687 -6.410 1.00 1.00 O ATOM 866 CB GLU A 58 71.230 12.979 -6.787 1.00 1.00 C ATOM 867 CG GLU A 58 70.612 12.386 -8.054 1.00 1.00 C ATOM 868 CD GLU A 58 71.581 12.559 -9.225 1.00 1.00 C ATOM 869 OE1 GLU A 58 72.303 13.542 -9.230 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.584 11.706 -10.097 1.00 1.00 O ATOM 0 H GLU A 58 72.320 15.181 -5.209 1.00 1.00 H new ATOM 0 HA GLU A 58 70.933 14.841 -7.833 1.00 1.00 H new ATOM 0 HB2 GLU A 58 72.285 12.713 -6.726 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.745 12.563 -5.904 1.00 1.00 H new ATOM 0 HG2 GLU A 58 70.392 11.329 -7.904 1.00 1.00 H new ATOM 0 HG3 GLU A 58 69.666 12.880 -8.275 1.00 1.00 H new ATOM 877 N GLY A 59 69.738 14.408 -4.773 1.00 1.00 N ATOM 878 CA GLY A 59 68.572 14.772 -3.914 1.00 1.00 C ATOM 879 C GLY A 59 68.142 13.558 -3.087 1.00 1.00 C ATOM 880 O GLY A 59 67.286 13.652 -2.230 1.00 1.00 O ATOM 0 H GLY A 59 70.401 13.757 -4.351 1.00 1.00 H new ATOM 0 HA2 GLY A 59 68.838 15.598 -3.254 1.00 1.00 H new ATOM 0 HA3 GLY A 59 67.743 15.114 -4.534 1.00 1.00 H new ATOM 884 N CYS A 60 68.726 12.419 -3.337 1.00 1.00 N ATOM 885 CA CYS A 60 68.346 11.202 -2.564 1.00 1.00 C ATOM 886 C CYS A 60 68.565 11.456 -1.070 1.00 1.00 C ATOM 887 O CYS A 60 68.241 10.633 -0.237 1.00 1.00 O ATOM 888 CB CYS A 60 69.210 10.021 -3.015 1.00 1.00 C ATOM 889 SG CYS A 60 69.651 10.208 -4.760 1.00 1.00 S ATOM 0 H CYS A 60 69.449 12.278 -4.042 1.00 1.00 H new ATOM 0 HA CYS A 60 67.296 10.972 -2.742 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.113 9.967 -2.407 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.669 9.086 -2.866 1.00 1.00 H new ATOM 894 N GLY A 61 69.115 12.588 -0.726 1.00 1.00 N ATOM 895 CA GLY A 61 69.358 12.893 0.714 1.00 1.00 C ATOM 896 C GLY A 61 68.086 12.625 1.520 1.00 1.00 C ATOM 897 O GLY A 61 68.139 12.193 2.655 1.00 1.00 O ATOM 0 H GLY A 61 69.407 13.315 -1.379 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.176 12.280 1.093 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.660 13.934 0.829 1.00 1.00 H new ATOM 901 N THR A 62 66.943 12.880 0.947 1.00 1.00 N ATOM 902 CA THR A 62 65.670 12.643 1.684 1.00 1.00 C ATOM 903 C THR A 62 65.546 11.158 2.035 1.00 1.00 C ATOM 904 O THR A 62 65.272 10.798 3.162 1.00 1.00 O ATOM 905 CB THR A 62 64.486 13.061 0.807 1.00 1.00 C ATOM 906 OG1 THR A 62 63.278 12.889 1.533 1.00 1.00 O ATOM 907 CG2 THR A 62 64.453 12.197 -0.455 1.00 1.00 C ATOM 0 H THR A 62 66.835 13.242 -0.000 1.00 1.00 H new ATOM 0 HA THR A 62 65.670 13.232 2.601 1.00 1.00 H new ATOM 0 HB THR A 62 64.594 14.108 0.524 1.00 1.00 H new ATOM 0 HG1 THR A 62 62.519 13.157 0.974 1.00 1.00 H new ATOM 0 HG21 THR A 62 63.610 12.495 -1.078 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.381 12.330 -1.011 1.00 1.00 H new ATOM 0 HG23 THR A 62 64.345 11.149 -0.176 1.00 1.00 H new ATOM 915 N ASP A 63 65.742 10.293 1.079 1.00 1.00 N ATOM 916 CA ASP A 63 65.631 8.834 1.361 1.00 1.00 C ATOM 917 C ASP A 63 66.807 8.387 2.233 1.00 1.00 C ATOM 918 O ASP A 63 67.061 7.209 2.387 1.00 1.00 O ATOM 919 CB ASP A 63 65.649 8.056 0.044 1.00 1.00 C ATOM 920 CG ASP A 63 65.188 6.619 0.293 1.00 1.00 C ATOM 921 OD1 ASP A 63 64.049 6.444 0.694 1.00 1.00 O ATOM 922 OD2 ASP A 63 65.981 5.717 0.079 1.00 1.00 O ATOM 0 H ASP A 63 65.974 10.533 0.115 1.00 1.00 H new ATOM 0 HA ASP A 63 64.696 8.639 1.887 1.00 1.00 H new ATOM 0 HB2 ASP A 63 64.996 8.538 -0.684 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.654 8.059 -0.378 1.00 1.00 H new ATOM 927 N ILE A 64 67.526 9.318 2.805 1.00 1.00 N ATOM 928 CA ILE A 64 68.688 8.950 3.668 1.00 1.00 C ATOM 929 C ILE A 64 68.524 9.594 5.048 1.00 1.00 C ATOM 930 O ILE A 64 68.724 8.961 6.066 1.00 1.00 O ATOM 931 CB ILE A 64 69.985 9.444 3.018 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.236 8.662 1.727 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.154 9.226 3.980 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.367 9.327 0.939 1.00 1.00 C ATOM 0 H ILE A 64 67.358 10.320 2.711 1.00 1.00 H new ATOM 0 HA ILE A 64 68.731 7.866 3.779 1.00 1.00 H new ATOM 0 HB ILE A 64 69.896 10.506 2.790 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.498 7.630 1.960 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.328 8.632 1.125 1.00 1.00 H new ATOM 0 HG21 ILE A 64 72.076 9.577 3.517 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.976 9.781 4.901 1.00 1.00 H new ATOM 0 HG23 ILE A 64 71.244 8.164 4.208 1.00 1.00 H new ATOM 0 HD11 ILE A 64 71.546 8.770 0.019 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.086 10.351 0.694 1.00 1.00 H new ATOM 0 HD13 ILE A 64 72.275 9.334 1.542 1.00 1.00 H new ATOM 946 N THR A 65 68.159 10.847 5.090 1.00 1.00 N ATOM 947 CA THR A 65 67.977 11.532 6.404 1.00 1.00 C ATOM 948 C THR A 65 69.154 11.201 7.320 1.00 1.00 C ATOM 949 O THR A 65 69.040 11.227 8.529 1.00 1.00 O ATOM 950 CB THR A 65 66.680 11.049 7.053 1.00 1.00 C ATOM 951 OG1 THR A 65 66.930 9.849 7.770 1.00 1.00 O ATOM 952 CG2 THR A 65 65.631 10.790 5.971 1.00 1.00 C ATOM 0 H THR A 65 67.979 11.427 4.271 1.00 1.00 H new ATOM 0 HA THR A 65 67.929 12.610 6.247 1.00 1.00 H new ATOM 0 HB THR A 65 66.310 11.812 7.738 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.356 9.196 7.176 1.00 1.00 H new ATOM 0 HG21 THR A 65 64.707 10.446 6.435 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.440 11.712 5.422 1.00 1.00 H new ATOM 0 HG23 THR A 65 65.998 10.028 5.284 1.00 1.00 H new ATOM 960 N VAL A 66 70.281 10.884 6.748 1.00 1.00 N ATOM 961 CA VAL A 66 71.479 10.539 7.569 1.00 1.00 C ATOM 962 C VAL A 66 71.216 9.243 8.340 1.00 1.00 C ATOM 963 O VAL A 66 72.121 8.474 8.597 1.00 1.00 O ATOM 964 CB VAL A 66 71.785 11.671 8.555 1.00 1.00 C ATOM 965 CG1 VAL A 66 73.203 11.501 9.104 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.677 13.016 7.834 1.00 1.00 C ATOM 0 H VAL A 66 70.427 10.848 5.739 1.00 1.00 H new ATOM 0 HA VAL A 66 72.335 10.403 6.909 1.00 1.00 H new ATOM 0 HB VAL A 66 71.071 11.639 9.378 1.00 1.00 H new ATOM 0 HG11 VAL A 66 73.421 12.306 9.805 1.00 1.00 H new ATOM 0 HG12 VAL A 66 73.282 10.542 9.616 1.00 1.00 H new ATOM 0 HG13 VAL A 66 73.918 11.533 8.282 1.00 1.00 H new ATOM 0 HG21 VAL A 66 71.894 13.823 8.534 1.00 1.00 H new ATOM 0 HG22 VAL A 66 72.392 13.047 7.012 1.00 1.00 H new ATOM 0 HG23 VAL A 66 70.667 13.138 7.442 1.00 1.00 H new ATOM 976 N ILE A 67 69.985 8.991 8.705 1.00 1.00 N ATOM 977 CA ILE A 67 69.663 7.740 9.453 1.00 1.00 C ATOM 978 C ILE A 67 68.543 6.991 8.730 1.00 1.00 C ATOM 979 O ILE A 67 67.374 7.211 8.976 1.00 1.00 O ATOM 980 CB ILE A 67 69.205 8.088 10.870 1.00 1.00 C ATOM 981 CG1 ILE A 67 70.313 8.863 11.587 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.904 6.801 11.640 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.797 9.358 12.939 1.00 1.00 C ATOM 0 H ILE A 67 69.188 9.599 8.517 1.00 1.00 H new ATOM 0 HA ILE A 67 70.553 7.112 9.505 1.00 1.00 H new ATOM 0 HB ILE A 67 68.305 8.701 10.821 1.00 1.00 H new ATOM 0 HG12 ILE A 67 71.184 8.224 11.730 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.634 9.707 10.977 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.578 7.049 12.650 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.116 6.248 11.130 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.804 6.188 11.690 1.00 1.00 H new ATOM 0 HD11 ILE A 67 70.586 9.910 13.450 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.939 10.012 12.784 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.498 8.505 13.549 1.00 1.00 H new ATOM 995 N CYS A 68 68.898 6.102 7.844 1.00 1.00 N ATOM 996 CA CYS A 68 67.869 5.322 7.100 1.00 1.00 C ATOM 997 C CYS A 68 67.772 3.918 7.704 1.00 1.00 C ATOM 998 O CYS A 68 68.732 3.402 8.241 1.00 1.00 O ATOM 999 CB CYS A 68 68.279 5.228 5.627 1.00 1.00 C ATOM 1000 SG CYS A 68 69.580 3.983 5.439 1.00 1.00 S ATOM 0 H CYS A 68 69.864 5.881 7.602 1.00 1.00 H new ATOM 0 HA CYS A 68 66.899 5.815 7.174 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.417 4.963 5.015 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.634 6.196 5.275 1.00 1.00 H new ATOM 1005 N PRO A 69 66.620 3.301 7.631 1.00 1.00 N ATOM 1006 CA PRO A 69 66.398 1.942 8.190 1.00 1.00 C ATOM 1007 C PRO A 69 67.640 1.049 8.098 1.00 1.00 C ATOM 1008 O PRO A 69 67.855 0.188 8.928 1.00 1.00 O ATOM 1009 CB PRO A 69 65.269 1.402 7.317 1.00 1.00 C ATOM 1010 CG PRO A 69 64.457 2.605 6.954 1.00 1.00 C ATOM 1011 CD PRO A 69 65.395 3.819 7.001 1.00 1.00 C ATOM 0 HA PRO A 69 66.166 1.965 9.255 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.659 0.905 6.429 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.669 0.668 7.855 1.00 1.00 H new ATOM 0 HG2 PRO A 69 64.025 2.491 5.960 1.00 1.00 H new ATOM 0 HG3 PRO A 69 63.627 2.733 7.649 1.00 1.00 H new ATOM 0 HD2 PRO A 69 65.594 4.208 6.002 1.00 1.00 H new ATOM 0 HD3 PRO A 69 64.963 4.635 7.581 1.00 1.00 H new ATOM 1019 N TRP A 70 68.460 1.243 7.101 1.00 1.00 N ATOM 1020 CA TRP A 70 69.680 0.398 6.972 1.00 1.00 C ATOM 1021 C TRP A 70 70.778 0.927 7.898 1.00 1.00 C ATOM 1022 O TRP A 70 71.502 0.167 8.510 1.00 1.00 O ATOM 1023 CB TRP A 70 70.173 0.421 5.527 1.00 1.00 C ATOM 1024 CG TRP A 70 69.229 -0.355 4.666 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.134 -1.704 4.637 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.248 0.145 3.710 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.158 -2.064 3.726 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.583 -0.961 3.128 1.00 1.00 C ATOM 1029 CE3 TRP A 70 67.875 1.436 3.296 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.582 -0.790 2.169 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.871 1.611 2.333 1.00 1.00 C ATOM 1032 CH2 TRP A 70 66.225 0.502 1.770 1.00 1.00 C ATOM 0 H TRP A 70 68.338 1.947 6.373 1.00 1.00 H new ATOM 0 HA TRP A 70 69.436 -0.626 7.253 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.244 1.449 5.172 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.173 -0.007 5.466 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.724 -2.388 5.229 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.895 -3.028 3.521 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.365 2.299 3.723 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 66.088 -1.649 1.739 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.593 2.608 2.023 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.452 0.645 1.029 1.00 1.00 H new ATOM 1043 N GLU A 71 70.914 2.222 8.013 1.00 1.00 N ATOM 1044 CA GLU A 71 71.971 2.776 8.907 1.00 1.00 C ATOM 1045 C GLU A 71 71.867 2.102 10.275 1.00 1.00 C ATOM 1046 O GLU A 71 72.830 2.017 11.011 1.00 1.00 O ATOM 1047 CB GLU A 71 71.781 4.293 9.065 1.00 1.00 C ATOM 1048 CG GLU A 71 72.190 5.008 7.776 1.00 1.00 C ATOM 1049 CD GLU A 71 72.866 4.013 6.832 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.167 3.175 6.286 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.072 4.104 6.670 1.00 1.00 O ATOM 0 H GLU A 71 70.343 2.915 7.530 1.00 1.00 H new ATOM 0 HA GLU A 71 72.953 2.586 8.473 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.740 4.515 9.299 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.380 4.658 9.899 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.314 5.443 7.296 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.870 5.829 8.003 1.00 1.00 H new ATOM 1058 N ALA A 72 70.709 1.610 10.616 1.00 1.00 N ATOM 1059 CA ALA A 72 70.551 0.930 11.929 1.00 1.00 C ATOM 1060 C ALA A 72 71.163 -0.469 11.839 1.00 1.00 C ATOM 1061 O ALA A 72 70.994 -1.291 12.717 1.00 1.00 O ATOM 1062 CB ALA A 72 69.064 0.819 12.274 1.00 1.00 C ATOM 0 H ALA A 72 69.867 1.650 10.042 1.00 1.00 H new ATOM 0 HA ALA A 72 71.055 1.505 12.706 1.00 1.00 H new ATOM 0 HB1 ALA A 72 68.950 0.320 13.237 1.00 1.00 H new ATOM 0 HB2 ALA A 72 68.628 1.816 12.328 1.00 1.00 H new ATOM 0 HB3 ALA A 72 68.554 0.241 11.503 1.00 1.00 H new ATOM 1068 N CYS A 73 71.875 -0.742 10.778 1.00 1.00 N ATOM 1069 CA CYS A 73 72.503 -2.085 10.621 1.00 1.00 C ATOM 1070 C CYS A 73 73.264 -2.441 11.900 1.00 1.00 C ATOM 1071 O CYS A 73 73.185 -3.548 12.394 1.00 1.00 O ATOM 1072 CB CYS A 73 73.473 -2.059 9.436 1.00 1.00 C ATOM 1073 SG CYS A 73 72.535 -2.227 7.897 1.00 1.00 S ATOM 0 H CYS A 73 72.049 -0.091 10.012 1.00 1.00 H new ATOM 0 HA CYS A 73 71.730 -2.832 10.439 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.037 -1.126 9.432 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.197 -2.869 9.525 1.00 1.00 H new ATOM 1078 N ASN A 74 73.999 -1.508 12.440 1.00 1.00 N ATOM 1079 CA ASN A 74 74.764 -1.787 13.688 1.00 1.00 C ATOM 1080 C ASN A 74 75.350 -0.479 14.223 1.00 1.00 C ATOM 1081 O ASN A 74 76.519 -0.396 14.543 1.00 1.00 O ATOM 1082 CB ASN A 74 75.897 -2.771 13.387 1.00 1.00 C ATOM 1083 CG ASN A 74 76.427 -3.357 14.697 1.00 1.00 C ATOM 1084 OD1 ASN A 74 76.591 -2.574 15.728 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 76.693 -4.539 14.783 1.00 1.00 N flip ATOM 0 H ASN A 74 74.103 -0.563 12.070 1.00 1.00 H new ATOM 0 HA ASN A 74 74.099 -2.222 14.434 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.536 -3.570 12.739 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.700 -2.264 12.852 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.565 -5.151 13.977 1.00 1.00 H new ATOM 0 HD22 ASN A 74 77.045 -4.920 15.661 1.00 1.00 H new ATOM 1092 N HIS A 75 74.545 0.544 14.320 1.00 1.00 N ATOM 1093 CA HIS A 75 75.055 1.846 14.831 1.00 1.00 C ATOM 1094 C HIS A 75 76.286 2.259 14.018 1.00 1.00 C ATOM 1095 O HIS A 75 77.187 2.902 14.518 1.00 1.00 O ATOM 1096 CB HIS A 75 75.428 1.698 16.316 1.00 1.00 C ATOM 1097 CG HIS A 75 74.737 2.768 17.116 1.00 1.00 C ATOM 1098 ND1 HIS A 75 73.629 2.502 17.905 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.986 4.112 17.259 1.00 1.00 C ATOM 1100 CE1 HIS A 75 73.253 3.657 18.483 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.047 4.667 18.122 1.00 1.00 N ATOM 0 H HIS A 75 73.557 0.533 14.067 1.00 1.00 H new ATOM 0 HA HIS A 75 74.286 2.612 14.731 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.136 0.712 16.679 1.00 1.00 H new ATOM 0 HB3 HIS A 75 76.508 1.777 16.440 1.00 1.00 H new ATOM 0 HD2 HIS A 75 75.786 4.653 16.776 1.00 1.00 H new ATOM 0 HE1 HIS A 75 72.413 3.755 19.155 1.00 1.00 H new ATOM 0 HE2 HIS A 75 73.979 5.641 18.417 1.00 1.00 H new ATOM 1110 N CYS A 76 76.328 1.892 12.766 1.00 1.00 N ATOM 1111 CA CYS A 76 77.498 2.260 11.920 1.00 1.00 C ATOM 1112 C CYS A 76 78.787 1.816 12.614 1.00 1.00 C ATOM 1113 O CYS A 76 79.664 2.612 12.883 1.00 1.00 O ATOM 1114 CB CYS A 76 77.524 3.776 11.717 1.00 1.00 C ATOM 1115 SG CYS A 76 78.870 4.210 10.588 1.00 1.00 S ATOM 0 H CYS A 76 75.603 1.353 12.293 1.00 1.00 H new ATOM 0 HA CYS A 76 77.417 1.766 10.952 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.571 4.116 11.311 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.661 4.280 12.674 1.00 1.00 H new ATOM 1120 N GLU A 77 78.908 0.550 12.906 1.00 1.00 N ATOM 1121 CA GLU A 77 80.140 0.057 13.582 1.00 1.00 C ATOM 1122 C GLU A 77 81.311 0.109 12.595 1.00 1.00 C ATOM 1123 O GLU A 77 81.505 1.091 11.906 1.00 1.00 O ATOM 1124 CB GLU A 77 79.913 -1.382 14.062 1.00 1.00 C ATOM 1125 CG GLU A 77 80.820 -1.671 15.260 1.00 1.00 C ATOM 1126 CD GLU A 77 80.602 -3.110 15.731 1.00 1.00 C ATOM 1127 OE1 GLU A 77 79.455 -3.495 15.881 1.00 1.00 O ATOM 1128 OE2 GLU A 77 81.587 -3.802 15.933 1.00 1.00 O ATOM 0 H GLU A 77 78.207 -0.163 12.706 1.00 1.00 H new ATOM 0 HA GLU A 77 80.371 0.685 14.442 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.869 -1.523 14.341 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.125 -2.083 13.255 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.864 -1.522 14.983 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.602 -0.975 16.070 1.00 1.00 H new ATOM 1135 N LEU A 78 82.095 -0.934 12.514 1.00 1.00 N ATOM 1136 CA LEU A 78 83.247 -0.923 11.565 1.00 1.00 C ATOM 1137 C LEU A 78 83.617 -2.358 11.178 1.00 1.00 C ATOM 1138 O LEU A 78 83.144 -3.304 11.768 1.00 1.00 O ATOM 1139 CB LEU A 78 84.453 -0.239 12.225 1.00 1.00 C ATOM 1140 CG LEU A 78 84.462 -0.549 13.723 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.576 -2.061 13.931 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.657 0.146 14.379 1.00 1.00 C ATOM 0 H LEU A 78 81.988 -1.789 13.061 1.00 1.00 H new ATOM 0 HA LEU A 78 82.965 -0.372 10.668 1.00 1.00 H new ATOM 0 HB2 LEU A 78 85.378 -0.588 11.766 1.00 1.00 H new ATOM 0 HB3 LEU A 78 84.405 0.838 12.067 1.00 1.00 H new ATOM 0 HG LEU A 78 83.537 -0.189 14.174 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.582 -2.282 14.998 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.726 -2.558 13.463 1.00 1.00 H new ATOM 0 HD13 LEU A 78 85.501 -2.422 13.480 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.665 -0.074 15.447 1.00 1.00 H new ATOM 0 HD22 LEU A 78 86.581 -0.215 13.927 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.578 1.223 14.231 1.00 1.00 H new ATOM 1154 N HIS A 79 84.465 -2.506 10.187 1.00 1.00 N ATOM 1155 CA HIS A 79 84.913 -3.861 9.714 1.00 1.00 C ATOM 1156 C HIS A 79 84.213 -4.993 10.480 1.00 1.00 C ATOM 1157 O HIS A 79 83.562 -5.834 9.896 1.00 1.00 O ATOM 1158 CB HIS A 79 86.425 -3.978 9.918 1.00 1.00 C ATOM 1159 CG HIS A 79 86.936 -5.201 9.208 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.801 -6.100 9.814 1.00 1.00 N ATOM 1161 CD2 HIS A 79 86.712 -5.689 7.943 1.00 1.00 C ATOM 1162 CE1 HIS A 79 88.066 -7.073 8.924 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.428 -6.870 7.770 1.00 1.00 N ATOM 0 H HIS A 79 84.876 -1.727 9.673 1.00 1.00 H new ATOM 0 HA HIS A 79 84.652 -3.959 8.660 1.00 1.00 H new ATOM 0 HB2 HIS A 79 86.924 -3.088 9.535 1.00 1.00 H new ATOM 0 HB3 HIS A 79 86.655 -4.040 10.982 1.00 1.00 H new ATOM 0 HD2 HIS A 79 86.079 -5.228 7.199 1.00 1.00 H new ATOM 0 HE1 HIS A 79 88.715 -7.914 9.119 1.00 1.00 H new ATOM 0 HE2 HIS A 79 87.459 -7.457 6.936 1.00 1.00 H new ATOM 1172 N GLU A 80 84.357 -5.020 11.778 1.00 1.00 N ATOM 1173 CA GLU A 80 83.719 -6.092 12.605 1.00 1.00 C ATOM 1174 C GLU A 80 82.404 -6.574 11.972 1.00 1.00 C ATOM 1175 O GLU A 80 82.162 -7.760 11.866 1.00 1.00 O ATOM 1176 CB GLU A 80 83.430 -5.539 14.005 1.00 1.00 C ATOM 1177 CG GLU A 80 83.317 -6.695 15.000 1.00 1.00 C ATOM 1178 CD GLU A 80 84.716 -7.137 15.432 1.00 1.00 C ATOM 1179 OE1 GLU A 80 85.668 -6.747 14.776 1.00 1.00 O ATOM 1180 OE2 GLU A 80 84.813 -7.859 16.411 1.00 1.00 O ATOM 0 H GLU A 80 84.896 -4.337 12.310 1.00 1.00 H new ATOM 0 HA GLU A 80 84.404 -6.938 12.662 1.00 1.00 H new ATOM 0 HB2 GLU A 80 84.226 -4.860 14.310 1.00 1.00 H new ATOM 0 HB3 GLU A 80 82.505 -4.962 13.995 1.00 1.00 H new ATOM 0 HG2 GLU A 80 82.738 -6.385 15.870 1.00 1.00 H new ATOM 0 HG3 GLU A 80 82.785 -7.530 14.544 1.00 1.00 H new ATOM 1187 N LEU A 81 81.547 -5.676 11.563 1.00 1.00 N ATOM 1188 CA LEU A 81 80.253 -6.116 10.959 1.00 1.00 C ATOM 1189 C LEU A 81 80.485 -6.646 9.541 1.00 1.00 C ATOM 1190 O LEU A 81 79.589 -6.656 8.722 1.00 1.00 O ATOM 1191 CB LEU A 81 79.257 -4.943 10.925 1.00 1.00 C ATOM 1192 CG LEU A 81 79.721 -3.892 9.915 1.00 1.00 C ATOM 1193 CD1 LEU A 81 78.505 -3.286 9.213 1.00 1.00 C ATOM 1194 CD2 LEU A 81 80.489 -2.789 10.646 1.00 1.00 C ATOM 0 H LEU A 81 81.684 -4.667 11.620 1.00 1.00 H new ATOM 0 HA LEU A 81 79.836 -6.916 11.571 1.00 1.00 H new ATOM 0 HB2 LEU A 81 78.265 -5.305 10.656 1.00 1.00 H new ATOM 0 HB3 LEU A 81 79.175 -4.496 11.916 1.00 1.00 H new ATOM 0 HG LEU A 81 80.371 -4.360 9.176 1.00 1.00 H new ATOM 0 HD11 LEU A 81 78.836 -2.537 8.493 1.00 1.00 H new ATOM 0 HD12 LEU A 81 77.956 -4.071 8.693 1.00 1.00 H new ATOM 0 HD13 LEU A 81 77.855 -2.817 9.952 1.00 1.00 H new ATOM 0 HD21 LEU A 81 80.820 -2.039 9.928 1.00 1.00 H new ATOM 0 HD22 LEU A 81 79.839 -2.321 11.385 1.00 1.00 H new ATOM 0 HD23 LEU A 81 81.356 -3.220 11.147 1.00 1.00 H new ATOM 1206 N ALA A 82 81.677 -7.086 9.246 1.00 1.00 N ATOM 1207 CA ALA A 82 81.958 -7.617 7.882 1.00 1.00 C ATOM 1208 C ALA A 82 81.204 -8.934 7.684 1.00 1.00 C ATOM 1209 O ALA A 82 81.796 -9.967 7.444 1.00 1.00 O ATOM 1210 CB ALA A 82 83.461 -7.863 7.728 1.00 1.00 C ATOM 0 H ALA A 82 82.468 -7.101 9.890 1.00 1.00 H new ATOM 0 HA ALA A 82 81.631 -6.893 7.136 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.666 -8.251 6.730 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.999 -6.926 7.870 1.00 1.00 H new ATOM 0 HB3 ALA A 82 83.789 -8.587 8.474 1.00 1.00 H new ATOM 1216 N GLN A 83 79.902 -8.908 7.783 1.00 1.00 N ATOM 1217 CA GLN A 83 79.117 -10.162 7.601 1.00 1.00 C ATOM 1218 C GLN A 83 78.923 -10.426 6.107 1.00 1.00 C ATOM 1219 O GLN A 83 79.290 -11.466 5.599 1.00 1.00 O ATOM 1220 CB GLN A 83 77.753 -10.020 8.286 1.00 1.00 C ATOM 1221 CG GLN A 83 76.992 -8.841 7.676 1.00 1.00 C ATOM 1222 CD GLN A 83 75.949 -8.335 8.675 1.00 1.00 C ATOM 1223 OE1 GLN A 83 75.718 -8.952 9.695 1.00 1.00 O ATOM 1224 NE2 GLN A 83 75.306 -7.227 8.423 1.00 1.00 N ATOM 0 H GLN A 83 79.349 -8.074 7.982 1.00 1.00 H new ATOM 0 HA GLN A 83 79.655 -10.998 8.049 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.178 -10.938 8.167 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.887 -9.865 9.357 1.00 1.00 H new ATOM 0 HG2 GLN A 83 77.685 -8.040 7.421 1.00 1.00 H new ATOM 0 HG3 GLN A 83 76.505 -9.148 6.750 1.00 1.00 H new ATOM 0 HE21 GLN A 83 75.500 -6.708 7.566 1.00 1.00 H new ATOM 0 HE22 GLN A 83 74.610 -6.880 9.083 1.00 1.00 H new ATOM 1233 N TYR A 84 78.354 -9.491 5.395 1.00 1.00 N ATOM 1234 CA TYR A 84 78.148 -9.697 3.935 1.00 1.00 C ATOM 1235 C TYR A 84 79.471 -9.455 3.206 1.00 1.00 C ATOM 1236 O TYR A 84 80.112 -10.376 2.739 1.00 1.00 O ATOM 1237 CB TYR A 84 77.089 -8.716 3.421 1.00 1.00 C ATOM 1238 CG TYR A 84 75.765 -9.003 4.088 1.00 1.00 C ATOM 1239 CD1 TYR A 84 75.160 -10.256 3.933 1.00 1.00 C ATOM 1240 CD2 TYR A 84 75.143 -8.017 4.863 1.00 1.00 C ATOM 1241 CE1 TYR A 84 73.933 -10.522 4.552 1.00 1.00 C ATOM 1242 CE2 TYR A 84 73.916 -8.283 5.482 1.00 1.00 C ATOM 1243 CZ TYR A 84 73.311 -9.536 5.326 1.00 1.00 C ATOM 1244 OH TYR A 84 72.101 -9.798 5.936 1.00 1.00 O ATOM 0 H TYR A 84 78.025 -8.597 5.760 1.00 1.00 H new ATOM 0 HA TYR A 84 77.808 -10.716 3.751 1.00 1.00 H new ATOM 0 HB2 TYR A 84 77.397 -7.691 3.628 1.00 1.00 H new ATOM 0 HB3 TYR A 84 76.990 -8.806 2.339 1.00 1.00 H new ATOM 0 HD1 TYR A 84 75.640 -11.017 3.336 1.00 1.00 H new ATOM 0 HD2 TYR A 84 75.610 -7.051 4.983 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.466 -11.489 4.432 1.00 1.00 H new ATOM 0 HE2 TYR A 84 73.436 -7.522 6.080 1.00 1.00 H new ATOM 0 HH TYR A 84 71.809 -9.007 6.436 1.00 1.00 H new ATOM 1254 N GLY A 85 79.890 -8.223 3.108 1.00 1.00 N ATOM 1255 CA GLY A 85 81.177 -7.925 2.414 1.00 1.00 C ATOM 1256 C GLY A 85 81.105 -6.544 1.761 1.00 1.00 C ATOM 1257 O GLY A 85 81.061 -6.419 0.554 1.00 1.00 O ATOM 0 H GLY A 85 79.398 -7.410 3.478 1.00 1.00 H new ATOM 0 HA2 GLY A 85 82.001 -7.958 3.126 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.378 -8.685 1.659 1.00 1.00 H new ATOM 1261 N ILE A 86 81.099 -5.502 2.549 1.00 1.00 N ATOM 1262 CA ILE A 86 81.038 -4.130 1.972 1.00 1.00 C ATOM 1263 C ILE A 86 81.730 -3.142 2.923 1.00 1.00 C ATOM 1264 O ILE A 86 82.670 -2.469 2.549 1.00 1.00 O ATOM 1265 CB ILE A 86 79.574 -3.712 1.722 1.00 1.00 C ATOM 1266 CG1 ILE A 86 78.813 -3.707 3.050 1.00 1.00 C ATOM 1267 CG2 ILE A 86 78.915 -4.705 0.762 1.00 1.00 C ATOM 1268 CD1 ILE A 86 78.889 -5.096 3.687 1.00 1.00 C ATOM 0 H ILE A 86 81.134 -5.543 3.568 1.00 1.00 H new ATOM 0 HA ILE A 86 81.557 -4.122 1.014 1.00 1.00 H new ATOM 0 HB ILE A 86 79.551 -2.714 1.284 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.239 -2.963 3.723 1.00 1.00 H new ATOM 0 HG13 ILE A 86 77.773 -3.428 2.884 1.00 1.00 H new ATOM 0 HG21 ILE A 86 77.881 -4.409 0.586 1.00 1.00 H new ATOM 0 HG22 ILE A 86 79.457 -4.711 -0.184 1.00 1.00 H new ATOM 0 HG23 ILE A 86 78.937 -5.703 1.199 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.347 -5.093 4.633 1.00 1.00 H new ATOM 0 HD12 ILE A 86 78.442 -5.829 3.015 1.00 1.00 H new ATOM 0 HD13 ILE A 86 79.932 -5.357 3.867 1.00 1.00 H new ATOM 1280 N CYS A 87 81.290 -3.051 4.150 1.00 1.00 N ATOM 1281 CA CYS A 87 81.945 -2.111 5.105 1.00 1.00 C ATOM 1282 C CYS A 87 83.203 -2.765 5.679 1.00 1.00 C ATOM 1283 CB CYS A 87 80.980 -1.772 6.245 1.00 1.00 C ATOM 1284 SG CYS A 87 79.415 -1.167 5.565 1.00 1.00 S ATOM 0 H CYS A 87 80.509 -3.585 4.531 1.00 1.00 H new ATOM 0 HA CYS A 87 82.215 -1.195 4.580 1.00 1.00 H new ATOM 0 HB2 CYS A 87 80.803 -2.655 6.859 1.00 1.00 H new ATOM 0 HB3 CYS A 87 81.421 -1.016 6.894 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.878 -6.046 6.520 1.00 1.00 C HETATM 1291 O1G RCY A 110 56.340 -7.766 6.612 1.00 1.00 O HETATM 1292 O1H RCY A 110 54.305 -3.733 5.232 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.084 -4.444 8.767 1.00 1.00 O HETATM 1294 C1L RCY A 110 54.358 -7.264 5.266 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.332 -3.931 8.176 1.00 1.00 C HETATM 1296 C1P RCY A 110 55.578 -6.926 6.134 1.00 1.00 C HETATM 1297 C1Q RCY A 110 54.481 -4.881 5.637 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.728 -5.418 6.330 1.00 1.00 N HETATM 1299 C1S RCY A 110 53.492 -6.028 5.537 1.00 1.00 C HETATM 1300 C1U RCY A 110 56.838 -4.635 7.033 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.351 -6.679 8.441 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.651 -4.541 8.509 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.540 -3.665 9.083 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.931 -5.535 7.608 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.229 -4.072 10.526 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.972 -2.200 9.019 1.00 1.00 C HETATM 0 H1ZB RCY A 110 58.245 -1.946 7.995 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.149 -1.563 9.343 1.00 1.00 H new HETATM 0 H1YB RCY A 110 56.379 -3.496 10.891 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.989 -5.135 10.561 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.793 -7.355 7.793 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.162 -7.225 8.923 1.00 1.00 H new HETATM 0 H1MA RCY A 110 55.855 -2.997 7.878 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.613 -7.372 4.212 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.313 -6.621 5.786 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.356 -5.200 6.027 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.830 -2.045 9.673 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.098 -3.876 11.155 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.684 -6.273 9.202 1.00 1.00 H new HETATM 0 H1U RCY A 110 57.231 -3.974 6.260 1.00 1.00 H new HETATM 0 H1S RCY A 110 52.920 -6.139 6.458 1.00 1.00 H new HETATM 0 H1M RCY A 110 55.578 -4.522 8.695 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.640 -6.682 6.970 1.00 1.00 H new HETATM 1309 C1C RCY A 121 67.097 -1.459 -5.876 1.00 1.00 C HETATM 1310 O1G RCY A 121 67.185 -3.792 -5.951 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.470 -3.612 -5.746 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.200 0.022 -7.684 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.413 -5.203 -6.877 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.700 -1.310 -4.416 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.985 -4.037 -6.060 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.631 -4.018 -5.759 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.877 -3.221 -5.396 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.087 -5.415 -6.139 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.981 -1.937 -4.570 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.166 0.281 -4.282 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.877 -0.389 -6.321 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.500 -0.436 -5.661 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.838 -0.865 -5.241 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.049 0.972 -5.264 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.501 -1.068 -6.630 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.869 -2.043 -6.948 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 61.538 -1.188 -6.133 1.00 1.00 H new HETATM 0 H1YB RCY A 121 62.107 0.912 -4.720 1.00 1.00 H new HETATM 0 H1YA RCY A 121 63.806 1.431 -4.629 1.00 1.00 H new HETATM 0 H1VB RCY A 121 66.809 -0.086 -3.482 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.680 1.074 -4.825 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.909 -2.055 -4.332 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.270 -4.946 -7.927 1.00 1.00 H new HETATM 0 H1CB RCY A 121 67.698 -1.945 -5.107 1.00 1.00 H new HETATM 0 H1CA RCY A 121 66.813 -2.192 -6.631 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.382 -0.424 -7.501 1.00 1.00 H new HETATM 0 H1Y RCY A 121 62.913 1.577 -6.161 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.243 0.673 -3.854 1.00 1.00 H new HETATM 0 H1U RCY A 121 65.415 -2.262 -3.624 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.220 -6.042 -5.257 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.668 -0.708 -3.508 1.00 1.00 H new HETATM 0 H1L RCY A 121 66.052 -6.086 -6.849 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.679 -0.664 -6.342 1.00 1.00 H new HETATM 1328 C1C RCY A 130 77.114 6.154 -11.013 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.812 1.859 -9.402 1.00 1.00 O HETATM 1330 O1H RCY A 130 78.946 3.004 -12.747 1.00 1.00 O HETATM 1331 O1J RCY A 130 79.141 7.581 -9.302 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.324 0.929 -11.607 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.267 3.751 -9.198 1.00 1.00 C HETATM 1334 C1P RCY A 130 76.467 1.916 -10.441 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.917 2.656 -12.171 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.521 2.982 -10.735 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.799 1.818 -12.762 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.033 4.108 -9.836 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.267 5.086 -11.820 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.149 6.143 -9.551 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.940 5.072 -8.802 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.372 5.379 -10.613 1.00 1.00 C HETATM 1343 C1Y RCY A 130 81.407 5.085 -9.240 1.00 1.00 C HETATM 1344 C1Z RCY A 130 79.825 5.325 -7.299 1.00 1.00 C HETATM 0 H1ZB RCY A 130 78.773 5.374 -7.018 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 80.308 4.513 -6.755 1.00 1.00 H new HETATM 0 H1YB RCY A 130 81.937 4.262 -8.760 1.00 1.00 H new HETATM 0 H1YA RCY A 130 81.465 4.972 -10.323 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.715 4.490 -12.546 1.00 1.00 H new HETATM 0 H1VA RCY A 130 79.576 6.025 -12.281 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.087 3.128 -8.322 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.944 0.041 -11.481 1.00 1.00 H new HETATM 0 H1CB RCY A 130 76.485 5.526 -11.643 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.562 6.438 -10.117 1.00 1.00 H new HETATM 0 H1Z RCY A 130 80.311 6.268 -7.051 1.00 1.00 H new HETATM 0 H1Y RCY A 130 81.865 6.030 -8.949 1.00 1.00 H new HETATM 0 H1V RCY A 130 80.149 4.535 -11.494 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.221 4.275 -9.128 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.990 2.445 -13.137 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.902 3.177 -9.872 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.298 0.585 -11.739 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.399 7.051 -11.563 1.00 1.00 H new HETATM 1347 C1C RCY A 138 87.583 2.093 -1.883 1.00 1.00 C HETATM 1348 O1G RCY A 138 87.650 7.767 -2.157 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.678 7.621 -3.355 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.751 1.202 -1.376 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.844 5.557 -3.050 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.273 4.981 -1.746 1.00 1.00 C HETATM 1353 C1P RCY A 138 87.839 6.689 -2.682 1.00 1.00 C HETATM 1354 C1Q RCY A 138 87.399 6.431 -3.224 1.00 1.00 C HETATM 1355 N1R RCY A 138 87.658 5.298 -2.155 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.920 5.832 -1.975 1.00 1.00 C HETATM 1357 C1U RCY A 138 86.573 4.396 -1.586 1.00 1.00 C HETATM 1358 C1V RCY A 138 86.373 3.208 -3.813 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.127 2.566 -1.737 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.271 3.826 -1.638 1.00 1.00 C HETATM 1361 C1X RCY A 138 86.461 3.047 -2.294 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.259 3.879 -2.786 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.554 3.841 -0.287 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.286 3.742 0.515 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.015 4.781 -0.172 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.714 4.822 -2.748 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.784 3.802 -3.738 1.00 1.00 H new HETATM 0 H1VB RCY A 138 87.314 3.607 -4.192 1.00 1.00 H new HETATM 0 H1VA RCY A 138 86.179 2.238 -4.271 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.086 5.732 -0.978 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.772 5.608 -2.860 1.00 1.00 H new HETATM 0 H1CB RCY A 138 88.547 2.533 -2.138 1.00 1.00 H new HETATM 0 H1CA RCY A 138 87.537 1.919 -0.808 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.850 3.010 -0.240 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.557 3.051 -2.691 1.00 1.00 H new HETATM 0 H1V RCY A 138 85.563 3.894 -4.060 1.00 1.00 H new HETATM 0 H1U RCY A 138 86.865 4.267 -0.544 1.00 1.00 H new HETATM 0 H1S RCY A 138 88.864 5.292 -1.907 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.187 5.483 -2.710 1.00 1.00 H new HETATM 0 H1C RCY A 138 87.466 1.146 -2.409 1.00 1.00 H new HETATM 1366 C1C RCY A 150 78.585 3.566 7.374 1.00 1.00 C HETATM 1367 O1G RCY A 150 76.172 7.344 6.110 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.864 6.957 6.486 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.213 1.566 5.213 1.00 1.00 O HETATM 1370 C1L RCY A 150 77.906 8.810 7.025 1.00 1.00 C HETATM 1371 C1M RCY A 150 78.922 5.219 4.080 1.00 1.00 C HETATM 1372 C1P RCY A 150 77.358 7.531 6.378 1.00 1.00 C HETATM 1373 C1Q RCY A 150 79.682 7.202 6.726 1.00 1.00 C HETATM 1374 N1R RCY A 150 78.469 6.517 6.109 1.00 1.00 N HETATM 1375 C1S RCY A 150 79.163 8.248 7.698 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.392 5.156 5.413 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.671 4.588 6.359 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.253 3.014 5.025 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.310 3.782 3.707 1.00 1.00 C HETATM 1380 C1X RCY A 150 79.247 4.092 6.099 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.725 3.741 3.124 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.308 3.171 2.728 1.00 1.00 C HETATM 0 H1YA RCY A 150 81.433 4.118 3.862 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.647 5.397 7.090 1.00 1.00 H new HETATM 0 H1VA RCY A 150 81.277 3.768 6.745 1.00 1.00 H new HETATM 0 H1MA RCY A 150 78.182 5.616 3.385 1.00 1.00 H new HETATM 0 H1LA RCY A 150 78.136 9.583 6.292 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.105 4.953 5.428 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.333 4.900 5.440 1.00 1.00 H new HETATM 0 H1S RCY A 150 78.931 7.808 8.668 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.787 5.880 4.036 1.00 1.00 H new HETATM 0 H1L RCY A 150 77.210 9.247 7.741 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.128 7.315 -4.873 1.00 1.00 C HETATM 1386 O1G RCY A 160 69.995 9.211 -5.951 1.00 1.00 O HETATM 1387 O1H RCY A 160 72.153 7.615 -5.688 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.062 6.191 -2.239 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.932 8.326 -4.636 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.400 8.944 -2.035 1.00 1.00 C HETATM 1391 C1P RCY A 160 71.171 9.202 -5.645 1.00 1.00 C HETATM 1392 C1Q RCY A 160 71.514 8.663 -5.614 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.853 9.534 -4.349 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.436 9.804 -4.685 1.00 1.00 C HETATM 1395 C1U RCY A 160 72.890 8.951 -3.384 1.00 1.00 C HETATM 1396 C1V RCY A 160 71.924 6.650 -3.814 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.929 7.099 -2.387 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.206 7.874 -1.287 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.200 7.481 -3.668 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.270 6.946 -0.508 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.243 8.502 -0.354 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.935 9.110 -0.936 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.739 9.129 0.381 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.699 7.529 0.215 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.586 6.455 -1.200 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.384 6.966 -4.707 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.185 5.595 -3.902 1.00 1.00 H new HETATM 0 H1MA RCY A 160 72.528 9.922 -1.570 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.456 7.552 -4.033 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.655 7.740 -5.758 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.069 7.831 -4.681 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.795 7.715 0.159 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.858 6.193 0.017 1.00 1.00 H new HETATM 0 H1V RCY A 160 71.292 6.796 -2.938 1.00 1.00 H new HETATM 0 H1U RCY A 160 73.769 9.582 -3.518 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.105 10.664 -4.728 1.00 1.00 H new HETATM 0 H1M RCY A 160 71.334 8.716 -2.010 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.322 6.255 -5.039 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.713 2.090 3.349 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.387 7.154 4.077 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.779 2.721 3.837 1.00 1.00 O HETATM 1407 O1J RCY A 168 77.332 2.591 1.950 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.461 6.015 5.067 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.988 5.612 2.246 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.713 6.131 4.189 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.836 3.949 3.875 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.022 4.817 3.473 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.731 4.882 4.336 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.214 4.453 2.586 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.597 4.065 4.670 1.00 1.00 C HETATM 1416 N1V RCY A 168 76.396 3.644 2.334 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.383 5.098 1.869 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.214 3.535 3.287 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.466 5.901 2.595 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.603 5.142 0.357 1.00 1.00 C HETATM 0 H1ZA RCY A 168 76.506 6.169 0.005 1.00 1.00 H new HETATM 0 H1YB RCY A 168 77.389 6.952 2.315 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.332 5.802 3.672 1.00 1.00 H new HETATM 0 H1VB RCY A 168 74.727 4.033 5.326 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.390 3.446 5.090 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.535 6.153 1.415 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.698 5.760 6.100 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.773 2.054 3.899 1.00 1.00 H new HETATM 0 H1CA RCY A 168 74.556 1.716 2.337 1.00 1.00 H new HETATM 0 H1Y RCY A 168 78.449 5.522 2.315 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.947 5.093 4.581 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.765 3.971 1.718 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.155 5.261 3.492 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.042 6.304 3.086 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.881 6.938 5.091 1.00 1.00 H new HETATM 0 H1C RCY A 168 75.453 1.470 3.855 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.384 -4.998 5.502 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.923 -0.191 6.164 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.963 -3.854 5.829 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.030 -5.321 3.652 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.900 -0.829 7.385 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.237 -2.247 3.032 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.984 -0.972 6.308 1.00 1.00 C HETATM 1430 C1Q RCY A 173 74.416 -2.718 5.962 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.747 -2.202 5.432 1.00 1.00 N HETATM 1432 C1S RCY A 173 73.749 -1.570 6.697 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.615 -2.776 4.311 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.526 -4.883 3.241 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.091 -4.336 3.462 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.086 -3.127 2.529 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.449 -4.286 4.149 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.335 -3.565 1.083 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.742 -2.407 2.648 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.555 -2.156 3.692 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 73.765 -1.494 2.054 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.412 -2.685 0.444 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.263 -4.134 1.030 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.308 -5.936 3.062 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.923 -1.207 3.118 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.304 -4.812 6.055 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.535 -4.620 6.072 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.947 -3.058 2.283 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.508 -4.188 0.744 1.00 1.00 H new HETATM 0 H1U RCY A 173 77.633 -2.511 4.598 1.00 1.00 H new HETATM 0 H1M RCY A 173 77.077 -2.270 2.338 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.266 -6.070 5.344 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.350 -1.773 8.744 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.839 1.426 6.269 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.764 2.090 10.456 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.356 -3.163 6.967 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.336 2.881 8.173 1.00 1.00 C HETATM 1447 C1M RCY A 176 75.548 0.649 6.602 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.529 1.841 7.384 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.335 2.285 9.385 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.292 1.387 8.156 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.222 3.469 9.047 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.264 0.311 7.799 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.042 -0.903 6.465 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.718 -1.754 6.844 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.991 -0.670 6.052 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.903 -1.039 7.477 1.00 1.00 C HETATM 1457 C1Y RCY A 176 75.296 -0.803 4.557 1.00 1.00 C HETATM 1458 C1Z RCY A 176 73.488 -0.787 6.307 1.00 1.00 C HETATM 0 H1ZA RCY A 176 72.971 0.038 5.818 1.00 1.00 H new HETATM 0 H1YB RCY A 176 74.838 0.026 4.017 1.00 1.00 H new HETATM 0 H1YA RCY A 176 76.375 -0.784 4.403 1.00 1.00 H new HETATM 0 H1MA RCY A 176 74.744 1.353 6.815 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.135 2.430 8.762 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.082 -1.166 9.277 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.487 -1.948 9.387 1.00 1.00 H new HETATM 0 H1U RCY A 176 75.623 0.251 8.679 1.00 1.00 H new HETATM 0 H1M RCY A 176 76.206 1.127 5.876 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.799 -2.728 8.472 1.00 1.00 H new HETATM 1461 C1C RCY A 187 81.929 3.389 0.728 1.00 1.00 C HETATM 1462 O1G RCY A 187 82.564 1.844 2.841 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.288 -0.156 2.983 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.104 4.828 -1.186 1.00 1.00 O HETATM 1465 C1L RCY A 187 81.502 0.271 4.385 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.460 2.128 0.985 1.00 1.00 C HETATM 1467 C1P RCY A 187 81.566 1.206 3.171 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.344 0.386 3.308 1.00 1.00 C HETATM 1469 N1R RCY A 187 80.235 1.246 2.421 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.998 0.322 4.676 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.878 1.956 1.114 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.105 4.181 2.301 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.641 3.914 -0.146 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.258 3.282 -0.006 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.431 3.378 1.040 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.258 4.300 0.550 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.802 2.768 -1.371 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.555 2.092 -1.775 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.857 2.235 -1.262 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.989 1.215 0.621 1.00 1.00 H new HETATM 0 H1LA RCY A 187 81.849 -0.736 4.155 1.00 1.00 H new HETATM 0 H1CB RCY A 187 82.467 2.853 1.509 1.00 1.00 H new HETATM 0 H1CA RCY A 187 82.104 2.903 -0.232 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.668 3.610 -2.050 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.304 1.320 0.338 1.00 1.00 H new HETATM 0 H1L RCY A 187 82.101 0.631 5.221 1.00 1.00 H new HETATM 0 H1C RCY A 187 82.284 4.419 0.684 1.00 1.00 H new