USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 48 TYR OH : rot 30:sc= -2.25! USER MOD Set 1.2: A 52 ASN : amide:sc= -3.06 K(o=-7.2,f=-5.9) USER MOD Set 1.3: A 104 HEC O2A : rot 110:sc= -1.84! USER MOD Set 2.1: A 67 TYR OH : rot -172:sc= 1.3 USER MOD Set 2.2: A 78 THR OG1 : rot -164:sc= 0.0016 USER MOD Set 3.1: A 39 HIS : no HD1:sc= -10.4! C(o=-15!,f=-13!) USER MOD Set 3.2: A 56 ASN : amide:sc= -4.44! C(o=-15!,f=-21!) USER MOD Set 4.1: A 19 THR OG1 : rot -87:sc= -1.02 USER MOD Set 4.2: A 31 ASN : amide:sc= -5.82! C(o=-6.8!,f=-5.8!) USER MOD Single : A 2 SER OG : rot 130:sc= -6.54! USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00876) USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0597) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ -163:sc= -0.0122 (180deg=-0.218) USER MOD Single : A -5 THR N :NH3+ 172:sc= 0 (180deg=-0.0887) USER MOD Single : A -5 THR OG1 : rot -61:sc= 0.152 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.00349 X(o=-0.0035,f=-0.19) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.99 K(o=-2,f=-2.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -4.74! C(o=-4.7!,f=-6.9!) USER MOD Single : A 40 SER OG : rot 25:sc= 0.645 USER MOD Single : A 42 GLN : amide:sc= -4.05! C(o=-4!,f=-5.1!) USER MOD Single : A 46 TYR OH : rot 130:sc= 0 USER MOD Single : A 47 SER OG : rot -7:sc= 0.784 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 54 LYS NZ :NH3+ 145:sc= 0.612 (180deg=0.114) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.031) USER MOD Single : A 63 ASN : amide:sc= -8.9! C(o=-8.9!,f=-12!) USER MOD Single : A 64 MET CE :methyl 156:sc= -5.45! (180deg=-7.95!) USER MOD Single : A 65 SER OG : rot 38:sc= -2.85! USER MOD Single : A 69 THR OG1 : rot -160:sc= -0.258 USER MOD Single : A 70 ASN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0332) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 163:sc= -1.56 (180deg=-3.02) USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= -1.53 (180deg=-2.76!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.8!) USER MOD Single : A 96 THR OG1 : rot 47:sc= -1.44! USER MOD Single : A 97 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.043) USER MOD Single : A 102 SER OG : rot 67:sc= 0.468 USER MOD Single : A 104 HEC O2D : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 9.472 -15.307 -7.723 1.00 0.00 N ATOM 2 CA THR A -5 9.549 -16.755 -7.811 1.00 0.00 C ATOM 3 C THR A -5 9.580 -17.373 -6.412 1.00 0.00 C ATOM 4 O THR A -5 10.546 -18.041 -6.045 1.00 0.00 O ATOM 5 CB THR A -5 10.770 -17.113 -8.660 1.00 0.00 C ATOM 6 OG1 THR A -5 10.738 -18.536 -8.732 1.00 0.00 O ATOM 7 CG2 THR A -5 12.089 -16.805 -7.949 1.00 0.00 C ATOM 0 H1 THR A -5 9.588 -14.895 -8.671 1.00 0.00 H new ATOM 0 H2 THR A -5 8.547 -15.031 -7.337 1.00 0.00 H new ATOM 0 H3 THR A -5 10.226 -14.957 -7.099 1.00 0.00 H new ATOM 0 HA THR A -5 8.665 -17.169 -8.296 1.00 0.00 H new ATOM 0 HB THR A -5 10.730 -16.566 -9.602 1.00 0.00 H new ATOM 0 HG1 THR A -5 10.806 -18.911 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A -5 12.923 -17.078 -8.595 1.00 0.00 H new ATOM 0 HG22 THR A -5 12.140 -15.740 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A -5 12.145 -17.377 -7.023 1.00 0.00 H new ATOM 15 N GLU A -4 8.511 -17.129 -5.668 1.00 0.00 N ATOM 16 CA GLU A -4 8.403 -17.653 -4.317 1.00 0.00 C ATOM 17 C GLU A -4 7.038 -17.306 -3.720 1.00 0.00 C ATOM 18 O GLU A -4 6.276 -18.196 -3.346 1.00 0.00 O ATOM 19 CB GLU A -4 9.537 -17.129 -3.434 1.00 0.00 C ATOM 20 CG GLU A -4 9.441 -17.705 -2.020 1.00 0.00 C ATOM 21 CD GLU A -4 9.937 -19.152 -1.982 1.00 0.00 C ATOM 22 OE1 GLU A -4 9.471 -19.934 -2.839 1.00 0.00 O ATOM 23 OE2 GLU A -4 10.771 -19.444 -1.098 1.00 0.00 O ATOM 0 H GLU A -4 7.712 -16.575 -5.975 1.00 0.00 H new ATOM 0 HA GLU A -4 8.493 -18.738 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A -4 10.498 -17.395 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A -4 9.496 -16.041 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A -4 10.031 -17.096 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A -4 8.408 -17.662 -1.675 1.00 0.00 H new ATOM 30 N PHE A -3 6.770 -16.010 -3.651 1.00 0.00 N ATOM 31 CA PHE A -3 5.510 -15.534 -3.106 1.00 0.00 C ATOM 32 C PHE A -3 4.355 -16.451 -3.514 1.00 0.00 C ATOM 33 O PHE A -3 3.877 -16.387 -4.645 1.00 0.00 O ATOM 34 CB PHE A -3 5.269 -14.140 -3.688 1.00 0.00 C ATOM 35 CG PHE A -3 3.796 -13.825 -3.958 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.926 -13.702 -2.920 1.00 0.00 C ATOM 37 CD2 PHE A -3 3.358 -13.667 -5.235 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.559 -13.409 -3.170 1.00 0.00 C ATOM 39 CE2 PHE A -3 1.991 -13.374 -5.486 1.00 0.00 C ATOM 40 CZ PHE A -3 1.121 -13.252 -4.448 1.00 0.00 C ATOM 0 H PHE A -3 7.404 -15.275 -3.964 1.00 0.00 H new ATOM 0 HA PHE A -3 5.558 -15.517 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A -3 5.669 -13.396 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A -3 5.827 -14.045 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.275 -13.827 -1.906 1.00 0.00 H new ATOM 0 HD2 PHE A -3 4.049 -13.764 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.868 -13.311 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A -3 1.643 -13.248 -6.501 1.00 0.00 H new ATOM 0 HZ PHE A -3 0.081 -13.030 -4.639 1.00 0.00 H new ATOM 50 N LYS A -2 3.941 -17.283 -2.570 1.00 0.00 N ATOM 51 CA LYS A -2 2.851 -18.212 -2.817 1.00 0.00 C ATOM 52 C LYS A -2 1.586 -17.426 -3.165 1.00 0.00 C ATOM 53 O LYS A -2 1.150 -16.572 -2.395 1.00 0.00 O ATOM 54 CB LYS A -2 2.678 -19.163 -1.631 1.00 0.00 C ATOM 55 CG LYS A -2 3.466 -20.456 -1.845 1.00 0.00 C ATOM 56 CD LYS A -2 2.532 -21.615 -2.201 1.00 0.00 C ATOM 57 CE LYS A -2 1.732 -22.070 -0.979 1.00 0.00 C ATOM 58 NZ LYS A -2 2.609 -22.777 -0.020 1.00 0.00 N ATOM 0 H LYS A -2 4.340 -17.333 -1.633 1.00 0.00 H new ATOM 0 HA LYS A -2 3.078 -18.847 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.015 -18.675 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A -2 1.621 -19.395 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A -2 4.195 -20.314 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A -2 4.025 -20.699 -0.941 1.00 0.00 H new ATOM 0 HD2 LYS A -2 1.849 -21.306 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A -2 3.115 -22.450 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A -2 1.274 -21.207 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A -2 0.921 -22.727 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 2.026 -23.322 0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 3.239 -23.423 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.179 -22.084 0.505 1.00 0.00 H new ATOM 72 N ALA A -1 1.031 -17.742 -4.326 1.00 0.00 N ATOM 73 CA ALA A -1 -0.175 -17.076 -4.786 1.00 0.00 C ATOM 74 C ALA A -1 -1.394 -17.726 -4.127 1.00 0.00 C ATOM 75 O ALA A -1 -1.352 -18.898 -3.756 1.00 0.00 O ATOM 76 CB ALA A -1 -0.240 -17.132 -6.313 1.00 0.00 C ATOM 0 H ALA A -1 1.395 -18.451 -4.962 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.165 -16.025 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -1.145 -16.632 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.633 -16.632 -6.733 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.254 -18.172 -6.639 1.00 0.00 H new ATOM 82 N GLY A 1 -2.450 -16.936 -4.002 1.00 0.00 N ATOM 83 CA GLY A 1 -3.678 -17.420 -3.394 1.00 0.00 C ATOM 84 C GLY A 1 -3.379 -18.326 -2.198 1.00 0.00 C ATOM 85 O GLY A 1 -3.176 -19.528 -2.360 1.00 0.00 O ATOM 0 H GLY A 1 -2.481 -15.964 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.286 -16.575 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.262 -17.969 -4.133 1.00 0.00 H new ATOM 89 N SER A 2 -3.360 -17.713 -1.023 1.00 0.00 N ATOM 90 CA SER A 2 -3.088 -18.449 0.200 1.00 0.00 C ATOM 91 C SER A 2 -4.169 -18.152 1.241 1.00 0.00 C ATOM 92 O SER A 2 -3.868 -17.962 2.418 1.00 0.00 O ATOM 93 CB SER A 2 -1.706 -18.101 0.757 1.00 0.00 C ATOM 94 OG SER A 2 -1.318 -16.770 0.430 1.00 0.00 O ATOM 0 H SER A 2 -3.528 -16.716 -0.892 1.00 0.00 H new ATOM 0 HA SER A 2 -3.099 -19.514 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.711 -18.221 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.969 -18.801 0.362 1.00 0.00 H new ATOM 0 HG SER A 2 -1.019 -16.308 1.241 1.00 0.00 H new ATOM 100 N ALA A 3 -5.407 -18.121 0.769 1.00 0.00 N ATOM 101 CA ALA A 3 -6.535 -17.851 1.644 1.00 0.00 C ATOM 102 C ALA A 3 -6.301 -18.529 2.995 1.00 0.00 C ATOM 103 O ALA A 3 -6.475 -19.740 3.125 1.00 0.00 O ATOM 104 CB ALA A 3 -7.827 -18.320 0.972 1.00 0.00 C ATOM 0 H ALA A 3 -5.653 -18.278 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.632 -16.781 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.673 -18.117 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.962 -17.787 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.768 -19.391 0.777 1.00 0.00 H new ATOM 110 N LYS A 4 -5.909 -17.719 3.968 1.00 0.00 N ATOM 111 CA LYS A 4 -5.649 -18.226 5.305 1.00 0.00 C ATOM 112 C LYS A 4 -5.854 -17.100 6.321 1.00 0.00 C ATOM 113 O LYS A 4 -5.055 -16.937 7.241 1.00 0.00 O ATOM 114 CB LYS A 4 -4.264 -18.871 5.373 1.00 0.00 C ATOM 115 CG LYS A 4 -4.357 -20.388 5.198 1.00 0.00 C ATOM 116 CD LYS A 4 -3.473 -20.862 4.042 1.00 0.00 C ATOM 117 CE LYS A 4 -3.094 -22.334 4.209 1.00 0.00 C ATOM 118 NZ LYS A 4 -4.289 -23.196 4.076 1.00 0.00 N ATOM 0 H LYS A 4 -5.765 -16.715 3.857 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.356 -19.016 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.624 -18.450 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.798 -18.640 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.053 -20.883 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.392 -20.673 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.999 -20.723 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.570 -20.253 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.353 -22.612 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.634 -22.489 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.006 -24.195 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.962 -22.976 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.740 -23.024 3.155 1.00 0.00 H new ATOM 132 N LYS A 5 -6.930 -16.354 6.120 1.00 0.00 N ATOM 133 CA LYS A 5 -7.251 -15.249 7.007 1.00 0.00 C ATOM 134 C LYS A 5 -6.556 -13.981 6.507 1.00 0.00 C ATOM 135 O LYS A 5 -5.819 -13.337 7.252 1.00 0.00 O ATOM 136 CB LYS A 5 -6.907 -15.607 8.455 1.00 0.00 C ATOM 137 CG LYS A 5 -7.888 -14.951 9.429 1.00 0.00 C ATOM 138 CD LYS A 5 -8.446 -15.975 10.419 1.00 0.00 C ATOM 139 CE LYS A 5 -9.787 -15.511 10.990 1.00 0.00 C ATOM 140 NZ LYS A 5 -9.587 -14.799 12.271 1.00 0.00 N ATOM 0 H LYS A 5 -7.591 -16.493 5.356 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.323 -15.052 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.932 -16.689 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.891 -15.283 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.386 -14.151 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.707 -14.494 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.572 -16.936 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.734 -16.127 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.285 -14.855 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.440 -16.370 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.482 -14.360 12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.274 -15.474 12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.864 -14.062 12.149 1.00 0.00 H new ATOM 154 N GLY A 6 -6.817 -13.659 5.248 1.00 0.00 N ATOM 155 CA GLY A 6 -6.226 -12.480 4.639 1.00 0.00 C ATOM 156 C GLY A 6 -7.152 -11.270 4.777 1.00 0.00 C ATOM 157 O GLY A 6 -6.696 -10.164 5.065 1.00 0.00 O ATOM 0 H GLY A 6 -7.430 -14.195 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.267 -12.264 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.027 -12.672 3.585 1.00 0.00 H new ATOM 161 N ALA A 7 -8.436 -11.520 4.565 1.00 0.00 N ATOM 162 CA ALA A 7 -9.430 -10.465 4.662 1.00 0.00 C ATOM 163 C ALA A 7 -9.323 -9.793 6.032 1.00 0.00 C ATOM 164 O ALA A 7 -9.156 -8.577 6.121 1.00 0.00 O ATOM 165 CB ALA A 7 -10.821 -11.048 4.406 1.00 0.00 C ATOM 0 H ALA A 7 -8.811 -12.438 4.326 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.253 -9.701 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.566 -10.256 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.854 -11.487 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.035 -11.817 5.148 1.00 0.00 H new ATOM 171 N THR A 8 -9.423 -10.614 7.068 1.00 0.00 N ATOM 172 CA THR A 8 -9.339 -10.114 8.430 1.00 0.00 C ATOM 173 C THR A 8 -8.017 -9.374 8.646 1.00 0.00 C ATOM 174 O THR A 8 -7.883 -8.599 9.591 1.00 0.00 O ATOM 175 CB THR A 8 -9.536 -11.297 9.380 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.843 -11.101 9.912 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.620 -11.223 10.604 1.00 0.00 C ATOM 0 H THR A 8 -9.561 -11.622 6.991 1.00 0.00 H new ATOM 0 HA THR A 8 -10.121 -9.382 8.632 1.00 0.00 H new ATOM 0 HB THR A 8 -9.351 -12.228 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.054 -11.825 10.538 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.800 -12.086 11.246 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.579 -11.222 10.280 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.828 -10.308 11.159 1.00 0.00 H new ATOM 185 N LEU A 9 -7.074 -9.640 7.754 1.00 0.00 N ATOM 186 CA LEU A 9 -5.768 -9.010 7.835 1.00 0.00 C ATOM 187 C LEU A 9 -5.900 -7.526 7.487 1.00 0.00 C ATOM 188 O LEU A 9 -5.878 -6.672 8.372 1.00 0.00 O ATOM 189 CB LEU A 9 -4.756 -9.758 6.965 1.00 0.00 C ATOM 190 CG LEU A 9 -3.292 -9.650 7.394 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.486 -10.853 6.901 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.682 -8.324 6.935 1.00 0.00 C ATOM 0 H LEU A 9 -7.189 -10.284 6.971 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.381 -9.066 8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.032 -10.812 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.842 -9.389 5.943 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.254 -9.662 8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.449 -10.751 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.906 -11.768 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.529 -10.898 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.641 -8.273 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.733 -8.257 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.237 -7.496 7.376 1.00 0.00 H new ATOM 204 N PHE A 10 -6.036 -7.264 6.195 1.00 0.00 N ATOM 205 CA PHE A 10 -6.172 -5.898 5.719 1.00 0.00 C ATOM 206 C PHE A 10 -7.073 -5.081 6.646 1.00 0.00 C ATOM 207 O PHE A 10 -6.752 -3.943 6.986 1.00 0.00 O ATOM 208 CB PHE A 10 -6.817 -5.969 4.333 1.00 0.00 C ATOM 209 CG PHE A 10 -6.950 -4.613 3.638 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.837 -3.928 3.263 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.183 -4.092 3.395 1.00 0.00 C ATOM 212 CE1 PHE A 10 -5.961 -2.669 2.618 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.307 -2.833 2.750 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.193 -2.148 2.375 1.00 0.00 C ATOM 0 H PHE A 10 -6.055 -7.975 5.463 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.195 -5.416 5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.226 -6.633 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.807 -6.416 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.858 -4.342 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.067 -4.636 3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.077 -2.125 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.286 -2.419 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.287 -1.191 1.884 1.00 0.00 H new ATOM 224 N LYS A 11 -8.184 -5.693 7.030 1.00 0.00 N ATOM 225 CA LYS A 11 -9.134 -5.037 7.912 1.00 0.00 C ATOM 226 C LYS A 11 -8.372 -4.259 8.987 1.00 0.00 C ATOM 227 O LYS A 11 -8.805 -3.187 9.407 1.00 0.00 O ATOM 228 CB LYS A 11 -10.130 -6.052 8.477 1.00 0.00 C ATOM 229 CG LYS A 11 -11.063 -5.395 9.496 1.00 0.00 C ATOM 230 CD LYS A 11 -12.468 -5.216 8.916 1.00 0.00 C ATOM 231 CE LYS A 11 -13.231 -6.542 8.906 1.00 0.00 C ATOM 232 NZ LYS A 11 -14.624 -6.335 8.451 1.00 0.00 N ATOM 0 H LYS A 11 -8.447 -6.637 6.746 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.732 -4.313 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.717 -6.482 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.590 -6.873 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.113 -6.007 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.661 -4.426 9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.017 -4.481 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.399 -4.825 7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.729 -7.252 8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.229 -6.977 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.128 -7.245 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.105 -5.674 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.620 -5.941 7.489 1.00 0.00 H new ATOM 246 N THR A 12 -7.251 -4.830 9.402 1.00 0.00 N ATOM 247 CA THR A 12 -6.425 -4.203 10.420 1.00 0.00 C ATOM 248 C THR A 12 -4.985 -4.058 9.924 1.00 0.00 C ATOM 249 O THR A 12 -4.539 -4.822 9.069 1.00 0.00 O ATOM 250 CB THR A 12 -6.545 -5.030 11.702 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.131 -6.337 11.312 1.00 0.00 O ATOM 252 CG2 THR A 12 -7.998 -5.216 12.144 1.00 0.00 C ATOM 0 H THR A 12 -6.895 -5.720 9.052 1.00 0.00 H new ATOM 0 HA THR A 12 -6.765 -3.190 10.636 1.00 0.00 H new ATOM 0 HB THR A 12 -5.981 -4.547 12.500 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.177 -6.939 12.084 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.027 -5.809 13.058 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.449 -4.241 12.330 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.554 -5.730 11.360 1.00 0.00 H new ATOM 260 N ARG A 13 -4.296 -3.074 10.482 1.00 0.00 N ATOM 261 CA ARG A 13 -2.916 -2.819 10.108 1.00 0.00 C ATOM 262 C ARG A 13 -2.852 -2.182 8.718 1.00 0.00 C ATOM 263 O ARG A 13 -1.776 -2.062 8.135 1.00 0.00 O ATOM 264 CB ARG A 13 -2.098 -4.112 10.106 1.00 0.00 C ATOM 265 CG ARG A 13 -2.369 -4.933 11.369 1.00 0.00 C ATOM 266 CD ARG A 13 -1.466 -4.484 12.519 1.00 0.00 C ATOM 267 NE ARG A 13 -1.296 -5.588 13.490 1.00 0.00 N ATOM 268 CZ ARG A 13 -2.261 -6.023 14.310 1.00 0.00 C ATOM 269 NH1 ARG A 13 -3.472 -5.450 14.284 1.00 0.00 N ATOM 270 NH2 ARG A 13 -2.016 -7.032 15.158 1.00 0.00 N ATOM 0 H ARG A 13 -4.669 -2.443 11.191 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.494 -2.136 10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.346 -4.702 9.224 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.036 -3.875 10.043 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.414 -4.826 11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.202 -5.990 11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.495 -4.177 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.900 -3.616 13.015 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.386 -6.047 13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.659 -4.682 13.639 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.207 -5.782 14.909 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.094 -7.468 15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.751 -7.363 15.783 1.00 0.00 H new ATOM 284 N CYS A 14 -4.019 -1.791 8.227 1.00 0.00 N ATOM 285 CA CYS A 14 -4.109 -1.169 6.917 1.00 0.00 C ATOM 286 C CYS A 14 -5.352 -0.276 6.893 1.00 0.00 C ATOM 287 O CYS A 14 -5.240 0.947 6.841 1.00 0.00 O ATOM 288 CB CYS A 14 -4.134 -2.211 5.797 1.00 0.00 C ATOM 289 SG CYS A 14 -3.088 -3.683 6.094 1.00 0.00 S ATOM 0 H CYS A 14 -4.910 -1.893 8.713 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.222 -0.561 6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.163 -2.538 5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.813 -1.735 4.870 1.00 0.00 H new ATOM 294 N LEU A 15 -6.507 -0.923 6.933 1.00 0.00 N ATOM 295 CA LEU A 15 -7.769 -0.203 6.917 1.00 0.00 C ATOM 296 C LEU A 15 -7.659 1.030 7.815 1.00 0.00 C ATOM 297 O LEU A 15 -8.075 2.122 7.431 1.00 0.00 O ATOM 298 CB LEU A 15 -8.923 -1.136 7.292 1.00 0.00 C ATOM 299 CG LEU A 15 -10.062 -1.234 6.276 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.613 -1.980 5.018 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.305 -1.868 6.905 1.00 0.00 C ATOM 0 H LEU A 15 -6.596 -1.938 6.976 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.991 0.153 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.519 -2.135 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.339 -0.804 8.243 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.335 -0.224 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.442 -2.035 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.780 -1.449 4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.297 -2.988 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.100 -1.926 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.063 -2.871 7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.638 -1.259 7.746 1.00 0.00 H new ATOM 313 N GLN A 16 -7.096 0.815 8.995 1.00 0.00 N ATOM 314 CA GLN A 16 -6.926 1.896 9.952 1.00 0.00 C ATOM 315 C GLN A 16 -6.526 3.185 9.230 1.00 0.00 C ATOM 316 O GLN A 16 -6.845 4.281 9.688 1.00 0.00 O ATOM 317 CB GLN A 16 -5.897 1.525 11.021 1.00 0.00 C ATOM 318 CG GLN A 16 -4.522 1.278 10.397 1.00 0.00 C ATOM 319 CD GLN A 16 -3.452 1.105 11.478 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.575 1.933 11.658 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.574 -0.015 12.185 1.00 0.00 N ATOM 0 H GLN A 16 -6.752 -0.092 9.310 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.879 2.064 10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.828 2.326 11.757 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.225 0.631 11.552 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.558 0.387 9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.257 2.113 9.749 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.332 -0.666 11.982 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.909 -0.223 12.930 1.00 0.00 H new ATOM 330 N CYS A 17 -5.834 3.010 8.114 1.00 0.00 N ATOM 331 CA CYS A 17 -5.387 4.146 7.325 1.00 0.00 C ATOM 332 C CYS A 17 -6.252 4.225 6.065 1.00 0.00 C ATOM 333 O CYS A 17 -6.924 5.189 5.688 1.00 0.00 O ATOM 334 CB CYS A 17 -3.898 4.051 6.990 1.00 0.00 C ATOM 335 SG CYS A 17 -2.782 4.057 8.441 1.00 0.00 S ATOM 0 H CYS A 17 -5.572 2.099 7.737 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.504 5.063 7.903 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.726 3.138 6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.632 4.886 6.341 1.00 0.00 H new ATOM 340 N HIS A 18 -6.261 3.081 5.291 1.00 0.00 N ATOM 341 CA HIS A 18 -6.716 3.054 3.887 1.00 0.00 C ATOM 342 C HIS A 18 -8.093 2.442 3.666 1.00 0.00 C ATOM 343 O HIS A 18 -8.780 1.938 4.554 1.00 0.00 O ATOM 344 CB HIS A 18 -5.792 2.165 3.042 1.00 0.00 C ATOM 345 CG HIS A 18 -4.329 2.478 2.882 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.857 3.322 1.942 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.229 1.969 3.545 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.612 3.384 2.036 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.131 2.534 2.992 1.00 0.00 N ATOM 0 H HIS A 18 -5.953 2.173 5.638 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.722 4.107 3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.857 1.158 3.455 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.219 2.127 2.040 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.425 3.829 1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.243 1.254 4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.991 4.031 1.434 1.00 0.00 H new ATOM 357 N THR A 19 -8.458 2.536 2.396 1.00 0.00 N ATOM 358 CA THR A 19 -9.745 2.030 1.948 1.00 0.00 C ATOM 359 C THR A 19 -9.614 1.392 0.564 1.00 0.00 C ATOM 360 O THR A 19 -8.877 1.889 -0.286 1.00 0.00 O ATOM 361 CB THR A 19 -10.748 3.185 1.993 1.00 0.00 C ATOM 362 OG1 THR A 19 -11.605 2.943 0.880 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.101 4.535 1.679 1.00 0.00 C ATOM 0 H THR A 19 -7.886 2.955 1.663 1.00 0.00 H new ATOM 0 HA THR A 19 -10.109 1.238 2.603 1.00 0.00 H new ATOM 0 HB THR A 19 -11.211 3.226 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.220 3.350 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.856 5.320 1.724 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.318 4.742 2.409 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.667 4.507 0.680 1.00 0.00 H new ATOM 371 N VAL A 20 -10.341 0.299 0.381 1.00 0.00 N ATOM 372 CA VAL A 20 -10.315 -0.413 -0.885 1.00 0.00 C ATOM 373 C VAL A 20 -11.465 0.081 -1.766 1.00 0.00 C ATOM 374 O VAL A 20 -11.297 0.256 -2.972 1.00 0.00 O ATOM 375 CB VAL A 20 -10.357 -1.922 -0.638 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.427 -2.279 0.396 1.00 0.00 C ATOM 377 CG2 VAL A 20 -10.581 -2.686 -1.945 1.00 0.00 C ATOM 0 H VAL A 20 -10.951 -0.110 1.088 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.386 -0.211 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.389 -2.222 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.436 -3.358 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.205 -1.777 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.404 -1.957 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.607 -3.756 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.528 -2.378 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.768 -2.468 -2.638 1.00 0.00 H new ATOM 387 N GLU A 21 -12.608 0.291 -1.129 1.00 0.00 N ATOM 388 CA GLU A 21 -13.785 0.761 -1.839 1.00 0.00 C ATOM 389 C GLU A 21 -13.468 2.054 -2.595 1.00 0.00 C ATOM 390 O GLU A 21 -12.363 2.583 -2.490 1.00 0.00 O ATOM 391 CB GLU A 21 -14.961 0.961 -0.881 1.00 0.00 C ATOM 392 CG GLU A 21 -14.491 1.565 0.444 1.00 0.00 C ATOM 393 CD GLU A 21 -14.554 0.532 1.571 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.622 -0.105 1.698 1.00 0.00 O ATOM 395 OE2 GLU A 21 -13.532 0.401 2.278 1.00 0.00 O ATOM 0 H GLU A 21 -12.744 0.144 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.075 0.000 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.702 1.615 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.451 0.005 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.470 1.932 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.113 2.423 0.697 1.00 0.00 H new ATOM 402 N LYS A 22 -14.458 2.524 -3.339 1.00 0.00 N ATOM 403 CA LYS A 22 -14.299 3.745 -4.112 1.00 0.00 C ATOM 404 C LYS A 22 -15.062 4.880 -3.426 1.00 0.00 C ATOM 405 O LYS A 22 -16.008 4.635 -2.680 1.00 0.00 O ATOM 406 CB LYS A 22 -14.713 3.516 -5.567 1.00 0.00 C ATOM 407 CG LYS A 22 -13.768 4.241 -6.527 1.00 0.00 C ATOM 408 CD LYS A 22 -14.262 4.129 -7.971 1.00 0.00 C ATOM 409 CE LYS A 22 -13.629 5.208 -8.851 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.663 6.139 -9.355 1.00 0.00 N ATOM 0 H LYS A 22 -15.373 2.082 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.250 4.041 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.710 2.448 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.733 3.870 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.693 5.291 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.767 3.817 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.019 3.143 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.348 4.224 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.882 5.759 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.110 4.743 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.216 6.865 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.361 5.611 -9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.140 6.596 -8.552 1.00 0.00 H new ATOM 424 N GLY A 23 -14.621 6.098 -3.704 1.00 0.00 N ATOM 425 CA GLY A 23 -15.250 7.272 -3.124 1.00 0.00 C ATOM 426 C GLY A 23 -14.612 7.628 -1.780 1.00 0.00 C ATOM 427 O GLY A 23 -14.437 8.804 -1.463 1.00 0.00 O ATOM 0 H GLY A 23 -13.835 6.297 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.157 8.115 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.316 7.088 -2.987 1.00 0.00 H new ATOM 431 N GLY A 24 -14.282 6.591 -1.024 1.00 0.00 N ATOM 432 CA GLY A 24 -13.667 6.779 0.279 1.00 0.00 C ATOM 433 C GLY A 24 -12.685 7.952 0.257 1.00 0.00 C ATOM 434 O GLY A 24 -11.887 8.081 -0.670 1.00 0.00 O ATOM 0 H GLY A 24 -14.429 5.617 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.439 6.960 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.145 5.869 0.574 1.00 0.00 H new ATOM 438 N PRO A 25 -12.779 8.800 1.317 1.00 0.00 N ATOM 439 CA PRO A 25 -11.908 9.958 1.428 1.00 0.00 C ATOM 440 C PRO A 25 -10.494 9.543 1.840 1.00 0.00 C ATOM 441 O PRO A 25 -10.228 8.362 2.057 1.00 0.00 O ATOM 442 CB PRO A 25 -12.583 10.861 2.447 1.00 0.00 C ATOM 443 CG PRO A 25 -13.555 9.975 3.210 1.00 0.00 C ATOM 444 CD PRO A 25 -13.712 8.679 2.433 1.00 0.00 C ATOM 0 HA PRO A 25 -11.777 10.479 0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.850 11.307 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.106 11.682 1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.182 9.775 4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.518 10.473 3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.477 7.814 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.736 8.550 2.081 1.00 0.00 H new ATOM 452 N HIS A 26 -9.625 10.538 1.936 1.00 0.00 N ATOM 453 CA HIS A 26 -8.245 10.292 2.319 1.00 0.00 C ATOM 454 C HIS A 26 -8.092 10.468 3.831 1.00 0.00 C ATOM 455 O HIS A 26 -8.571 11.450 4.396 1.00 0.00 O ATOM 456 CB HIS A 26 -7.292 11.182 1.518 1.00 0.00 C ATOM 457 CG HIS A 26 -7.482 11.096 0.023 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.691 9.899 -0.639 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.492 12.070 -0.932 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.820 10.153 -1.933 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.696 11.499 -2.112 1.00 0.00 N ATOM 0 H HIS A 26 -9.850 11.516 1.755 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.975 9.263 2.080 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.428 12.217 1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.265 10.907 1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.357 13.127 -0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.993 9.422 -2.709 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.751 11.987 -3.006 1.00 0.00 H new ATOM 469 N LYS A 27 -7.422 9.503 4.442 1.00 0.00 N ATOM 470 CA LYS A 27 -7.199 9.539 5.878 1.00 0.00 C ATOM 471 C LYS A 27 -5.695 9.558 6.156 1.00 0.00 C ATOM 472 O LYS A 27 -5.059 10.608 6.078 1.00 0.00 O ATOM 473 CB LYS A 27 -7.937 8.387 6.563 1.00 0.00 C ATOM 474 CG LYS A 27 -9.324 8.829 7.035 1.00 0.00 C ATOM 475 CD LYS A 27 -10.281 7.638 7.114 1.00 0.00 C ATOM 476 CE LYS A 27 -10.319 7.057 8.529 1.00 0.00 C ATOM 477 NZ LYS A 27 -11.716 6.809 8.950 1.00 0.00 N ATOM 0 H LYS A 27 -7.026 8.691 3.969 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.614 10.452 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.034 7.550 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.355 8.032 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.245 9.303 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.724 9.577 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.282 7.952 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.968 6.868 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.752 6.126 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.840 7.746 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.724 6.415 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.246 7.704 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.161 6.134 8.296 1.00 0.00 H new ATOM 491 N VAL A 28 -5.170 8.384 6.475 1.00 0.00 N ATOM 492 CA VAL A 28 -3.752 8.253 6.765 1.00 0.00 C ATOM 493 C VAL A 28 -3.011 7.838 5.493 1.00 0.00 C ATOM 494 O VAL A 28 -1.815 8.088 5.357 1.00 0.00 O ATOM 495 CB VAL A 28 -3.544 7.275 7.924 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.058 6.972 8.125 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.174 7.808 9.212 1.00 0.00 C ATOM 0 H VAL A 28 -5.701 7.515 6.539 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.338 9.209 7.085 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.045 6.341 7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.938 6.275 8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.651 6.529 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.525 7.896 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.012 7.094 10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.716 8.762 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.244 7.949 9.062 1.00 0.00 H new ATOM 507 N GLY A 29 -3.754 7.212 4.591 1.00 0.00 N ATOM 508 CA GLY A 29 -3.182 6.760 3.334 1.00 0.00 C ATOM 509 C GLY A 29 -4.148 7.007 2.173 1.00 0.00 C ATOM 510 O GLY A 29 -5.353 7.139 2.380 1.00 0.00 O ATOM 0 H GLY A 29 -4.747 7.007 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.243 7.282 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.948 5.697 3.398 1.00 0.00 H new ATOM 514 N PRO A 30 -3.567 7.063 0.945 1.00 0.00 N ATOM 515 CA PRO A 30 -4.362 7.292 -0.250 1.00 0.00 C ATOM 516 C PRO A 30 -5.142 6.034 -0.638 1.00 0.00 C ATOM 517 O PRO A 30 -4.660 4.918 -0.451 1.00 0.00 O ATOM 518 CB PRO A 30 -3.363 7.723 -1.311 1.00 0.00 C ATOM 519 CG PRO A 30 -2.001 7.274 -0.808 1.00 0.00 C ATOM 520 CD PRO A 30 -2.143 6.912 0.661 1.00 0.00 C ATOM 0 HA PRO A 30 -5.125 8.057 -0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.594 7.266 -2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.389 8.803 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.647 6.416 -1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.266 8.068 -0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.807 5.893 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.542 7.568 1.290 1.00 0.00 H new ATOM 528 N ASN A 31 -6.334 6.257 -1.171 1.00 0.00 N ATOM 529 CA ASN A 31 -7.186 5.155 -1.587 1.00 0.00 C ATOM 530 C ASN A 31 -6.435 4.293 -2.604 1.00 0.00 C ATOM 531 O ASN A 31 -5.912 4.805 -3.593 1.00 0.00 O ATOM 532 CB ASN A 31 -8.464 5.668 -2.254 1.00 0.00 C ATOM 533 CG ASN A 31 -9.706 5.177 -1.509 1.00 0.00 C ATOM 534 OD1 ASN A 31 -10.078 4.016 -1.567 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.325 6.122 -0.807 1.00 0.00 N ATOM 0 H ASN A 31 -6.730 7.184 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.449 4.578 -0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.455 6.758 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.499 5.329 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.164 5.894 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.960 7.075 -0.802 1.00 0.00 H new ATOM 542 N LEU A 32 -6.407 2.997 -2.327 1.00 0.00 N ATOM 543 CA LEU A 32 -5.729 2.059 -3.205 1.00 0.00 C ATOM 544 C LEU A 32 -6.671 1.661 -4.343 1.00 0.00 C ATOM 545 O LEU A 32 -6.395 1.938 -5.509 1.00 0.00 O ATOM 546 CB LEU A 32 -5.193 0.869 -2.406 1.00 0.00 C ATOM 547 CG LEU A 32 -4.356 1.213 -1.172 1.00 0.00 C ATOM 548 CD1 LEU A 32 -4.038 -0.043 -0.359 1.00 0.00 C ATOM 549 CD2 LEU A 32 -3.091 1.978 -1.563 1.00 0.00 C ATOM 0 H LEU A 32 -6.843 2.575 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.856 2.526 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.039 0.259 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.588 0.253 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.944 1.871 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.442 0.229 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.967 -0.510 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.478 -0.744 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.515 2.210 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.488 1.366 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.367 2.904 -2.067 1.00 0.00 H new ATOM 561 N HIS A 33 -7.765 1.016 -3.965 1.00 0.00 N ATOM 562 CA HIS A 33 -8.750 0.577 -4.939 1.00 0.00 C ATOM 563 C HIS A 33 -8.173 -0.570 -5.770 1.00 0.00 C ATOM 564 O HIS A 33 -7.623 -1.524 -5.222 1.00 0.00 O ATOM 565 CB HIS A 33 -9.226 1.750 -5.797 1.00 0.00 C ATOM 566 CG HIS A 33 -10.537 1.502 -6.504 1.00 0.00 C ATOM 567 ND1 HIS A 33 -11.261 0.332 -6.352 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.247 2.285 -7.367 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.354 0.418 -7.095 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.343 1.628 -7.724 1.00 0.00 N ATOM 0 H HIS A 33 -7.991 0.787 -2.997 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.633 0.198 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.327 2.632 -5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.462 1.977 -6.540 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.998 -0.461 -5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.965 3.272 -7.702 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.120 -0.338 -7.187 1.00 0.00 H new ATOM 578 N GLY A 34 -8.317 -0.439 -7.081 1.00 0.00 N ATOM 579 CA GLY A 34 -7.817 -1.453 -7.994 1.00 0.00 C ATOM 580 C GLY A 34 -6.408 -1.105 -8.481 1.00 0.00 C ATOM 581 O GLY A 34 -6.186 -0.933 -9.678 1.00 0.00 O ATOM 0 H GLY A 34 -8.773 0.354 -7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.804 -2.422 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.489 -1.542 -8.847 1.00 0.00 H new ATOM 585 N ILE A 35 -5.493 -1.013 -7.527 1.00 0.00 N ATOM 586 CA ILE A 35 -4.113 -0.689 -7.843 1.00 0.00 C ATOM 587 C ILE A 35 -3.541 -1.764 -8.770 1.00 0.00 C ATOM 588 O ILE A 35 -4.263 -2.329 -9.591 1.00 0.00 O ATOM 589 CB ILE A 35 -3.302 -0.489 -6.561 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.016 -1.828 -5.878 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.999 0.497 -5.620 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.928 -2.032 -4.667 1.00 0.00 C ATOM 0 H ILE A 35 -5.681 -1.157 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.058 0.258 -8.379 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.340 -0.053 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.162 -2.641 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.973 -1.864 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.402 0.622 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.108 1.460 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.984 0.112 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.704 -2.991 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.762 -1.230 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.969 -2.020 -4.989 1.00 0.00 H new ATOM 604 N PHE A 36 -2.250 -2.014 -8.609 1.00 0.00 N ATOM 605 CA PHE A 36 -1.573 -3.010 -9.421 1.00 0.00 C ATOM 606 C PHE A 36 -1.719 -2.694 -10.911 1.00 0.00 C ATOM 607 O PHE A 36 -2.824 -2.717 -11.449 1.00 0.00 O ATOM 608 CB PHE A 36 -2.243 -4.355 -9.130 1.00 0.00 C ATOM 609 CG PHE A 36 -2.070 -4.836 -7.687 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.831 -5.134 -7.214 1.00 0.00 C ATOM 611 CD2 PHE A 36 -3.157 -4.966 -6.879 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.671 -5.581 -5.875 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.997 -5.413 -5.541 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.757 -5.711 -5.067 1.00 0.00 C ATOM 0 H PHE A 36 -1.655 -1.543 -7.927 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.510 -3.024 -9.182 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.307 -4.275 -9.350 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.834 -5.107 -9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.031 -5.031 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.141 -4.729 -7.255 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.313 -5.818 -5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.860 -5.516 -4.899 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.635 -6.051 -4.049 1.00 0.00 H new ATOM 624 N GLY A 37 -0.586 -2.406 -11.535 1.00 0.00 N ATOM 625 CA GLY A 37 -0.573 -2.085 -12.952 1.00 0.00 C ATOM 626 C GLY A 37 -0.423 -0.579 -13.172 1.00 0.00 C ATOM 627 O GLY A 37 -0.913 -0.041 -14.164 1.00 0.00 O ATOM 0 H GLY A 37 0.329 -2.388 -11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.248 -2.611 -13.440 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.496 -2.434 -13.416 1.00 0.00 H new ATOM 631 N ARG A 38 0.256 0.060 -12.231 1.00 0.00 N ATOM 632 CA ARG A 38 0.477 1.494 -12.310 1.00 0.00 C ATOM 633 C ARG A 38 1.787 1.868 -11.613 1.00 0.00 C ATOM 634 O ARG A 38 2.517 0.995 -11.147 1.00 0.00 O ATOM 635 CB ARG A 38 -0.675 2.265 -11.662 1.00 0.00 C ATOM 636 CG ARG A 38 -1.747 2.619 -12.696 1.00 0.00 C ATOM 637 CD ARG A 38 -1.438 3.958 -13.368 1.00 0.00 C ATOM 638 NE ARG A 38 -2.238 4.099 -14.606 1.00 0.00 N ATOM 639 CZ ARG A 38 -1.899 3.560 -15.785 1.00 0.00 C ATOM 640 NH1 ARG A 38 -0.773 2.841 -15.894 1.00 0.00 N ATOM 641 NH2 ARG A 38 -2.685 3.740 -16.855 1.00 0.00 N ATOM 0 H ARG A 38 0.661 -0.389 -11.409 1.00 0.00 H new ATOM 0 HA ARG A 38 0.532 1.764 -13.365 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.116 1.666 -10.866 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.294 3.176 -11.201 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.804 1.834 -13.450 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.723 2.667 -12.212 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.662 4.777 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.375 4.020 -13.603 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.101 4.640 -14.558 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.174 2.704 -15.080 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.515 2.431 -16.791 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.542 4.287 -16.772 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.427 3.330 -17.752 1.00 0.00 H new ATOM 655 N HIS A 39 2.044 3.167 -11.564 1.00 0.00 N ATOM 656 CA HIS A 39 3.253 3.667 -10.933 1.00 0.00 C ATOM 657 C HIS A 39 2.906 4.284 -9.576 1.00 0.00 C ATOM 658 O HIS A 39 1.743 4.578 -9.303 1.00 0.00 O ATOM 659 CB HIS A 39 3.985 4.642 -11.857 1.00 0.00 C ATOM 660 CG HIS A 39 5.118 4.016 -12.635 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.399 4.350 -13.949 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.037 3.077 -12.271 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.442 3.636 -14.348 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.835 2.847 -13.307 1.00 0.00 N ATOM 0 H HIS A 39 1.435 3.888 -11.951 1.00 0.00 H new ATOM 0 HA HIS A 39 3.941 2.841 -10.753 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.269 5.069 -12.558 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.378 5.466 -11.261 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.104 2.601 -11.304 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.900 3.672 -15.325 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.614 2.189 -13.322 1.00 0.00 H new ATOM 672 N SER A 40 3.936 4.462 -8.762 1.00 0.00 N ATOM 673 CA SER A 40 3.754 5.038 -7.441 1.00 0.00 C ATOM 674 C SER A 40 2.894 6.300 -7.534 1.00 0.00 C ATOM 675 O SER A 40 3.156 7.175 -8.358 1.00 0.00 O ATOM 676 CB SER A 40 5.101 5.361 -6.790 1.00 0.00 C ATOM 677 OG SER A 40 5.861 6.284 -7.565 1.00 0.00 O ATOM 0 H SER A 40 4.899 4.217 -8.992 1.00 0.00 H new ATOM 0 HA SER A 40 3.245 4.304 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.933 5.775 -5.796 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.671 4.441 -6.660 1.00 0.00 H new ATOM 0 HG SER A 40 5.257 6.822 -8.118 1.00 0.00 H new ATOM 683 N GLY A 41 1.885 6.355 -6.677 1.00 0.00 N ATOM 684 CA GLY A 41 0.985 7.495 -6.652 1.00 0.00 C ATOM 685 C GLY A 41 -0.218 7.265 -7.570 1.00 0.00 C ATOM 686 O GLY A 41 -0.208 7.678 -8.728 1.00 0.00 O ATOM 0 H GLY A 41 1.671 5.628 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.641 7.669 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.520 8.392 -6.965 1.00 0.00 H new ATOM 690 N GLN A 42 -1.225 6.605 -7.016 1.00 0.00 N ATOM 691 CA GLN A 42 -2.433 6.314 -7.770 1.00 0.00 C ATOM 692 C GLN A 42 -3.563 7.254 -7.345 1.00 0.00 C ATOM 693 O GLN A 42 -4.737 6.904 -7.446 1.00 0.00 O ATOM 694 CB GLN A 42 -2.845 4.851 -7.602 1.00 0.00 C ATOM 695 CG GLN A 42 -2.062 3.947 -8.556 1.00 0.00 C ATOM 696 CD GLN A 42 -2.745 2.586 -8.708 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.956 2.479 -8.806 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.903 1.557 -8.721 1.00 0.00 N ATOM 0 H GLN A 42 -1.229 6.264 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.227 6.480 -8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.671 4.537 -6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.913 4.746 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.979 4.427 -9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.048 3.809 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.900 1.718 -8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.261 0.607 -8.818 1.00 0.00 H new ATOM 707 N ALA A 43 -3.167 8.430 -6.880 1.00 0.00 N ATOM 708 CA ALA A 43 -4.132 9.424 -6.440 1.00 0.00 C ATOM 709 C ALA A 43 -3.490 10.811 -6.493 1.00 0.00 C ATOM 710 O ALA A 43 -2.378 11.004 -6.002 1.00 0.00 O ATOM 711 CB ALA A 43 -4.631 9.065 -5.039 1.00 0.00 C ATOM 0 H ALA A 43 -2.192 8.717 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.998 9.437 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.355 9.810 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.105 8.084 -5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.789 9.045 -4.347 1.00 0.00 H new ATOM 717 N GLU A 44 -4.216 11.742 -7.093 1.00 0.00 N ATOM 718 CA GLU A 44 -3.731 13.106 -7.217 1.00 0.00 C ATOM 719 C GLU A 44 -4.286 13.972 -6.083 1.00 0.00 C ATOM 720 O GLU A 44 -3.539 14.698 -5.429 1.00 0.00 O ATOM 721 CB GLU A 44 -4.091 13.695 -8.582 1.00 0.00 C ATOM 722 CG GLU A 44 -3.002 13.392 -9.614 1.00 0.00 C ATOM 723 CD GLU A 44 -2.148 14.631 -9.889 1.00 0.00 C ATOM 724 OE1 GLU A 44 -2.754 15.707 -10.085 1.00 0.00 O ATOM 725 OE2 GLU A 44 -0.908 14.475 -9.897 1.00 0.00 O ATOM 0 H GLU A 44 -5.137 11.579 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.644 13.092 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.042 13.284 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.223 14.773 -8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.368 12.582 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.460 13.048 -10.541 1.00 0.00 H new ATOM 732 N GLY A 45 -5.592 13.866 -5.886 1.00 0.00 N ATOM 733 CA GLY A 45 -6.255 14.630 -4.843 1.00 0.00 C ATOM 734 C GLY A 45 -5.452 14.594 -3.542 1.00 0.00 C ATOM 735 O GLY A 45 -5.243 15.628 -2.908 1.00 0.00 O ATOM 0 H GLY A 45 -6.208 13.263 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.381 15.663 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.253 14.226 -4.670 1.00 0.00 H new ATOM 739 N TYR A 46 -5.023 13.394 -3.181 1.00 0.00 N ATOM 740 CA TYR A 46 -4.247 13.210 -1.967 1.00 0.00 C ATOM 741 C TYR A 46 -2.857 13.835 -2.104 1.00 0.00 C ATOM 742 O TYR A 46 -2.183 13.642 -3.115 1.00 0.00 O ATOM 743 CB TYR A 46 -4.097 11.698 -1.787 1.00 0.00 C ATOM 744 CG TYR A 46 -3.692 11.277 -0.373 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.534 11.775 0.190 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.483 10.399 0.339 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.153 11.378 1.521 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.102 10.002 1.670 1.00 0.00 C ATOM 749 CZ TYR A 46 -2.955 10.511 2.195 1.00 0.00 C ATOM 750 OH TYR A 46 -2.595 10.137 3.452 1.00 0.00 O ATOM 0 H TYR A 46 -5.198 12.539 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.742 13.685 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.041 11.217 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.351 11.331 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.914 12.462 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.388 10.009 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.250 11.760 1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.713 9.316 2.238 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.357 10.250 4.058 1.00 0.00 H new ATOM 760 N SER A 47 -2.469 14.571 -1.073 1.00 0.00 N ATOM 761 CA SER A 47 -1.172 15.225 -1.066 1.00 0.00 C ATOM 762 C SER A 47 -0.075 14.209 -0.742 1.00 0.00 C ATOM 763 O SER A 47 -0.081 13.604 0.329 1.00 0.00 O ATOM 764 CB SER A 47 -1.142 16.377 -0.060 1.00 0.00 C ATOM 765 OG SER A 47 -0.906 15.920 1.269 1.00 0.00 O ATOM 0 H SER A 47 -3.031 14.729 -0.236 1.00 0.00 H new ATOM 0 HA SER A 47 -0.993 15.639 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.363 17.085 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.090 16.914 -0.096 1.00 0.00 H new ATOM 0 HG SER A 47 -0.925 14.940 1.286 1.00 0.00 H new ATOM 771 N TYR A 48 0.840 14.053 -1.687 1.00 0.00 N ATOM 772 CA TYR A 48 1.942 13.120 -1.515 1.00 0.00 C ATOM 773 C TYR A 48 3.217 13.851 -1.090 1.00 0.00 C ATOM 774 O TYR A 48 3.191 15.052 -0.827 1.00 0.00 O ATOM 775 CB TYR A 48 2.168 12.479 -2.886 1.00 0.00 C ATOM 776 CG TYR A 48 1.328 11.225 -3.133 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.048 11.288 -3.048 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.946 10.030 -3.440 1.00 0.00 C ATOM 779 CE1 TYR A 48 -0.839 10.107 -3.280 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.155 8.849 -3.672 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.198 8.946 -3.581 1.00 0.00 C ATOM 782 OH TYR A 48 -0.945 7.831 -3.800 1.00 0.00 O ATOM 0 H TYR A 48 0.842 14.556 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 48 1.708 12.386 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.943 13.213 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.223 12.223 -2.986 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.532 12.223 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.023 9.980 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.917 10.143 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.626 7.907 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.815 8.088 -4.170 1.00 0.00 H new ATOM 792 N THR A 49 4.303 13.094 -1.035 1.00 0.00 N ATOM 793 CA THR A 49 5.586 13.654 -0.646 1.00 0.00 C ATOM 794 C THR A 49 6.572 13.592 -1.815 1.00 0.00 C ATOM 795 O THR A 49 6.165 13.591 -2.975 1.00 0.00 O ATOM 796 CB THR A 49 6.071 12.907 0.598 1.00 0.00 C ATOM 797 OG1 THR A 49 6.575 11.675 0.089 1.00 0.00 O ATOM 798 CG2 THR A 49 4.919 12.487 1.515 1.00 0.00 C ATOM 0 H THR A 49 4.321 12.098 -1.253 1.00 0.00 H new ATOM 0 HA THR A 49 5.496 14.711 -0.394 1.00 0.00 H new ATOM 0 HB THR A 49 6.765 13.538 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.912 11.129 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.318 11.961 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.376 13.372 1.846 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.242 11.828 0.971 1.00 0.00 H new ATOM 806 N ASP A 50 7.850 13.540 -1.467 1.00 0.00 N ATOM 807 CA ASP A 50 8.897 13.478 -2.473 1.00 0.00 C ATOM 808 C ASP A 50 9.663 12.162 -2.324 1.00 0.00 C ATOM 809 O ASP A 50 10.808 12.053 -2.760 1.00 0.00 O ATOM 810 CB ASP A 50 9.893 14.626 -2.303 1.00 0.00 C ATOM 811 CG ASP A 50 10.000 15.571 -3.502 1.00 0.00 C ATOM 812 OD1 ASP A 50 8.934 16.055 -3.940 1.00 0.00 O ATOM 813 OD2 ASP A 50 11.146 15.788 -3.952 1.00 0.00 O ATOM 0 H ASP A 50 8.184 13.540 -0.503 1.00 0.00 H new ATOM 0 HA ASP A 50 8.427 13.551 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.609 15.207 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.878 14.206 -2.101 1.00 0.00 H new ATOM 818 N ALA A 51 9.000 11.195 -1.706 1.00 0.00 N ATOM 819 CA ALA A 51 9.605 9.891 -1.494 1.00 0.00 C ATOM 820 C ALA A 51 8.942 8.869 -2.421 1.00 0.00 C ATOM 821 O ALA A 51 9.592 8.314 -3.305 1.00 0.00 O ATOM 822 CB ALA A 51 9.482 9.505 -0.019 1.00 0.00 C ATOM 0 H ALA A 51 8.050 11.289 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 51 10.667 9.917 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.936 8.527 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.993 10.246 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.429 9.466 0.260 1.00 0.00 H new ATOM 828 N ASN A 52 7.656 8.652 -2.187 1.00 0.00 N ATOM 829 CA ASN A 52 6.898 7.708 -2.989 1.00 0.00 C ATOM 830 C ASN A 52 6.956 8.131 -4.458 1.00 0.00 C ATOM 831 O ASN A 52 7.631 7.494 -5.265 1.00 0.00 O ATOM 832 CB ASN A 52 5.429 7.678 -2.564 1.00 0.00 C ATOM 833 CG ASN A 52 4.612 6.760 -3.476 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.683 5.545 -3.401 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.835 7.408 -4.339 1.00 0.00 N ATOM 0 H ASN A 52 7.120 9.114 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 52 7.335 6.719 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.352 7.334 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.017 8.687 -2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.251 6.885 -4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.823 8.428 -4.349 1.00 0.00 H new ATOM 842 N ILE A 53 6.240 9.204 -4.761 1.00 0.00 N ATOM 843 CA ILE A 53 6.202 9.720 -6.118 1.00 0.00 C ATOM 844 C ILE A 53 7.600 9.632 -6.732 1.00 0.00 C ATOM 845 O ILE A 53 7.745 9.323 -7.914 1.00 0.00 O ATOM 846 CB ILE A 53 5.609 11.131 -6.139 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.080 11.084 -6.109 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.134 11.929 -7.334 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.495 12.466 -5.816 1.00 0.00 C ATOM 0 H ILE A 53 5.681 9.730 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 53 5.542 9.113 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 53 5.933 11.651 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.705 10.722 -7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.749 10.376 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.697 12.928 -7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.219 12.007 -7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.860 11.421 -8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.407 12.405 -5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.853 12.815 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.808 13.165 -6.591 1.00 0.00 H new ATOM 861 N LYS A 54 8.595 9.909 -5.902 1.00 0.00 N ATOM 862 CA LYS A 54 9.977 9.864 -6.349 1.00 0.00 C ATOM 863 C LYS A 54 10.512 8.439 -6.198 1.00 0.00 C ATOM 864 O LYS A 54 11.610 8.235 -5.682 1.00 0.00 O ATOM 865 CB LYS A 54 10.812 10.915 -5.614 1.00 0.00 C ATOM 866 CG LYS A 54 10.216 12.313 -5.794 1.00 0.00 C ATOM 867 CD LYS A 54 10.739 12.971 -7.073 1.00 0.00 C ATOM 868 CE LYS A 54 10.347 14.449 -7.129 1.00 0.00 C ATOM 869 NZ LYS A 54 11.523 15.306 -6.861 1.00 0.00 N ATOM 0 H LYS A 54 8.472 10.165 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 54 10.043 10.119 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.860 10.670 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.835 10.901 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.129 12.247 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.467 12.933 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.824 12.877 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.338 12.452 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.933 14.685 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.566 14.653 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.459 16.172 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.546 15.559 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.392 14.791 -7.109 1.00 0.00 H new ATOM 883 N LYS A 55 9.711 7.489 -6.657 1.00 0.00 N ATOM 884 CA LYS A 55 10.090 6.088 -6.580 1.00 0.00 C ATOM 885 C LYS A 55 9.676 5.380 -7.871 1.00 0.00 C ATOM 886 O LYS A 55 10.471 4.658 -8.470 1.00 0.00 O ATOM 887 CB LYS A 55 9.515 5.447 -5.316 1.00 0.00 C ATOM 888 CG LYS A 55 10.294 4.186 -4.937 1.00 0.00 C ATOM 889 CD LYS A 55 11.660 4.542 -4.347 1.00 0.00 C ATOM 890 CE LYS A 55 12.687 3.447 -4.643 1.00 0.00 C ATOM 891 NZ LYS A 55 14.063 3.983 -4.529 1.00 0.00 N ATOM 0 H LYS A 55 8.801 7.662 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 55 11.172 5.990 -6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.550 6.161 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.466 5.197 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.722 3.604 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.427 3.558 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.004 5.490 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.570 4.680 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.554 2.618 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.526 3.051 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.748 3.227 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.191 4.759 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.218 4.340 -3.564 1.00 0.00 H new ATOM 905 N ASN A 56 8.431 5.612 -8.263 1.00 0.00 N ATOM 906 CA ASN A 56 7.902 5.005 -9.472 1.00 0.00 C ATOM 907 C ASN A 56 7.821 3.489 -9.284 1.00 0.00 C ATOM 908 O ASN A 56 8.025 2.731 -10.231 1.00 0.00 O ATOM 909 CB ASN A 56 8.810 5.285 -10.672 1.00 0.00 C ATOM 910 CG ASN A 56 8.000 5.802 -11.863 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.896 5.166 -12.899 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.435 6.989 -11.659 1.00 0.00 N ATOM 0 H ASN A 56 7.774 6.212 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 56 6.916 5.430 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.567 6.019 -10.396 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.337 4.374 -10.954 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.875 7.420 -12.394 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.562 7.468 -10.767 1.00 0.00 H new ATOM 919 N VAL A 57 7.524 3.092 -8.056 1.00 0.00 N ATOM 920 CA VAL A 57 7.415 1.680 -7.731 1.00 0.00 C ATOM 921 C VAL A 57 6.188 1.094 -8.433 1.00 0.00 C ATOM 922 O VAL A 57 5.083 1.130 -7.894 1.00 0.00 O ATOM 923 CB VAL A 57 7.381 1.493 -6.213 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.318 2.389 -5.574 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.153 0.025 -5.847 1.00 0.00 C ATOM 0 H VAL A 57 7.355 3.724 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 57 8.288 1.136 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 57 8.352 1.790 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.315 2.237 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.543 3.433 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.338 2.137 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.133 -0.081 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.202 -0.310 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.961 -0.582 -6.256 1.00 0.00 H new ATOM 935 N LEU A 58 6.424 0.567 -9.626 1.00 0.00 N ATOM 936 CA LEU A 58 5.353 -0.026 -10.408 1.00 0.00 C ATOM 937 C LEU A 58 4.695 -1.144 -9.597 1.00 0.00 C ATOM 938 O LEU A 58 5.325 -2.160 -9.307 1.00 0.00 O ATOM 939 CB LEU A 58 5.873 -0.481 -11.773 1.00 0.00 C ATOM 940 CG LEU A 58 4.836 -0.557 -12.895 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.535 0.834 -13.458 1.00 0.00 C ATOM 942 CD2 LEU A 58 5.280 -1.533 -13.986 1.00 0.00 C ATOM 0 H LEU A 58 7.342 0.539 -10.070 1.00 0.00 H new ATOM 0 HA LEU A 58 4.581 0.714 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.665 0.200 -12.083 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.326 -1.465 -11.657 1.00 0.00 H new ATOM 0 HG LEU A 58 3.907 -0.943 -12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.795 0.752 -14.254 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.145 1.471 -12.664 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.450 1.271 -13.857 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.525 -1.568 -14.772 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.228 -1.200 -14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.404 -2.527 -13.556 1.00 0.00 H new ATOM 954 N TRP A 59 3.435 -0.920 -9.253 1.00 0.00 N ATOM 955 CA TRP A 59 2.684 -1.896 -8.482 1.00 0.00 C ATOM 956 C TRP A 59 2.239 -3.009 -9.432 1.00 0.00 C ATOM 957 O TRP A 59 1.641 -2.740 -10.472 1.00 0.00 O ATOM 958 CB TRP A 59 1.516 -1.234 -7.748 1.00 0.00 C ATOM 959 CG TRP A 59 1.917 -0.021 -6.906 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.527 1.252 -7.054 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.809 -0.019 -5.771 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.099 2.071 -6.103 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.903 1.274 -5.297 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.512 -1.075 -5.165 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.692 1.631 -4.197 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.296 -0.701 -4.066 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.401 0.596 -3.577 1.00 0.00 C ATOM 0 H TRP A 59 2.915 -0.076 -9.494 1.00 0.00 H new ATOM 0 HA TRP A 59 3.308 -2.333 -7.702 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.769 -0.925 -8.479 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.042 -1.972 -7.101 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.849 1.594 -7.822 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.958 3.077 -6.009 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.452 -2.094 -5.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.750 2.651 -3.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.858 -1.474 -3.564 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.027 0.804 -2.722 1.00 0.00 H new ATOM 978 N ASP A 60 2.548 -4.237 -9.040 1.00 0.00 N ATOM 979 CA ASP A 60 2.188 -5.392 -9.844 1.00 0.00 C ATOM 980 C ASP A 60 1.720 -6.522 -8.925 1.00 0.00 C ATOM 981 O ASP A 60 0.554 -6.912 -8.959 1.00 0.00 O ATOM 982 CB ASP A 60 3.387 -5.901 -10.646 1.00 0.00 C ATOM 983 CG ASP A 60 3.053 -6.934 -11.725 1.00 0.00 C ATOM 984 OD1 ASP A 60 1.854 -7.031 -12.065 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.004 -7.602 -12.184 1.00 0.00 O ATOM 0 H ASP A 60 3.044 -4.457 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 60 1.397 -5.091 -10.531 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.876 -5.050 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.107 -6.339 -9.955 1.00 0.00 H new ATOM 990 N GLU A 61 2.653 -7.016 -8.125 1.00 0.00 N ATOM 991 CA GLU A 61 2.351 -8.093 -7.198 1.00 0.00 C ATOM 992 C GLU A 61 3.501 -8.277 -6.205 1.00 0.00 C ATOM 993 O GLU A 61 3.372 -7.936 -5.030 1.00 0.00 O ATOM 994 CB GLU A 61 2.060 -9.395 -7.947 1.00 0.00 C ATOM 995 CG GLU A 61 1.794 -10.542 -6.970 1.00 0.00 C ATOM 996 CD GLU A 61 0.520 -11.300 -7.348 1.00 0.00 C ATOM 997 OE1 GLU A 61 0.387 -11.624 -8.547 1.00 0.00 O ATOM 998 OE2 GLU A 61 -0.292 -11.539 -6.428 1.00 0.00 O ATOM 0 H GLU A 61 3.619 -6.690 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 61 1.454 -7.825 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.196 -9.259 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.905 -9.647 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.642 -11.227 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.700 -10.148 -5.958 1.00 0.00 H new ATOM 1005 N ASN A 62 4.599 -8.816 -6.713 1.00 0.00 N ATOM 1006 CA ASN A 62 5.770 -9.050 -5.886 1.00 0.00 C ATOM 1007 C ASN A 62 6.226 -7.726 -5.270 1.00 0.00 C ATOM 1008 O ASN A 62 6.185 -7.556 -4.053 1.00 0.00 O ATOM 1009 CB ASN A 62 6.928 -9.610 -6.715 1.00 0.00 C ATOM 1010 CG ASN A 62 6.776 -11.118 -6.921 1.00 0.00 C ATOM 1011 OD1 ASN A 62 7.741 -11.861 -6.994 1.00 0.00 O ATOM 1012 ND2 ASN A 62 5.513 -11.527 -7.010 1.00 0.00 N ATOM 0 H ASN A 62 4.702 -9.098 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 62 5.499 -9.770 -5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.963 -9.109 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.873 -9.401 -6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.306 -12.516 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.752 -10.851 -6.940 1.00 0.00 H new ATOM 1019 N ASN A 63 6.651 -6.821 -6.140 1.00 0.00 N ATOM 1020 CA ASN A 63 7.115 -5.517 -5.697 1.00 0.00 C ATOM 1021 C ASN A 63 6.209 -5.013 -4.572 1.00 0.00 C ATOM 1022 O ASN A 63 6.678 -4.737 -3.469 1.00 0.00 O ATOM 1023 CB ASN A 63 7.063 -4.498 -6.837 1.00 0.00 C ATOM 1024 CG ASN A 63 6.877 -3.079 -6.296 1.00 0.00 C ATOM 1025 OD1 ASN A 63 7.716 -2.539 -5.593 1.00 0.00 O ATOM 1026 ND2 ASN A 63 5.734 -2.506 -6.661 1.00 0.00 N ATOM 0 H ASN A 63 6.684 -6.965 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 63 8.144 -5.624 -5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.983 -4.551 -7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.243 -4.744 -7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.516 -1.559 -6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.075 -3.014 -7.251 1.00 0.00 H new ATOM 1033 N MET A 64 4.926 -4.910 -4.889 1.00 0.00 N ATOM 1034 CA MET A 64 3.950 -4.444 -3.919 1.00 0.00 C ATOM 1035 C MET A 64 4.270 -4.978 -2.521 1.00 0.00 C ATOM 1036 O MET A 64 4.047 -4.292 -1.524 1.00 0.00 O ATOM 1037 CB MET A 64 2.554 -4.909 -4.336 1.00 0.00 C ATOM 1038 CG MET A 64 1.523 -3.797 -4.133 1.00 0.00 C ATOM 1039 SD MET A 64 1.073 -3.688 -2.409 1.00 0.00 S ATOM 1040 CE MET A 64 1.913 -2.177 -1.965 1.00 0.00 C ATOM 0 H MET A 64 4.540 -5.142 -5.804 1.00 0.00 H new ATOM 0 HA MET A 64 3.986 -3.355 -3.889 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.565 -5.213 -5.383 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.269 -5.785 -3.753 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.932 -2.845 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.637 -3.996 -4.736 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.426 -1.731 -1.098 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.953 -2.396 -1.724 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.874 -1.480 -2.802 1.00 0.00 H new ATOM 1050 N SER A 65 4.787 -6.197 -2.491 1.00 0.00 N ATOM 1051 CA SER A 65 5.140 -6.831 -1.232 1.00 0.00 C ATOM 1052 C SER A 65 6.511 -6.339 -0.764 1.00 0.00 C ATOM 1053 O SER A 65 6.689 -6.007 0.407 1.00 0.00 O ATOM 1054 CB SER A 65 5.139 -8.355 -1.364 1.00 0.00 C ATOM 1055 OG SER A 65 4.933 -8.999 -0.109 1.00 0.00 O ATOM 0 H SER A 65 4.970 -6.763 -3.319 1.00 0.00 H new ATOM 0 HA SER A 65 4.391 -6.557 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.357 -8.658 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.088 -8.683 -1.788 1.00 0.00 H new ATOM 0 HG SER A 65 4.283 -8.488 0.418 1.00 0.00 H new ATOM 1061 N GLU A 66 7.444 -6.307 -1.704 1.00 0.00 N ATOM 1062 CA GLU A 66 8.794 -5.861 -1.402 1.00 0.00 C ATOM 1063 C GLU A 66 8.756 -4.567 -0.586 1.00 0.00 C ATOM 1064 O GLU A 66 9.697 -4.262 0.144 1.00 0.00 O ATOM 1065 CB GLU A 66 9.609 -5.676 -2.684 1.00 0.00 C ATOM 1066 CG GLU A 66 9.474 -4.249 -3.219 1.00 0.00 C ATOM 1067 CD GLU A 66 10.671 -3.391 -2.803 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.807 -3.823 -3.095 1.00 0.00 O ATOM 1069 OE2 GLU A 66 10.422 -2.323 -2.204 1.00 0.00 O ATOM 0 H GLU A 66 7.292 -6.582 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 66 9.285 -6.630 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.658 -5.897 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.271 -6.385 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.398 -4.270 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.554 -3.802 -2.844 1.00 0.00 H new ATOM 1076 N TYR A 67 7.657 -3.842 -0.737 1.00 0.00 N ATOM 1077 CA TYR A 67 7.483 -2.589 -0.022 1.00 0.00 C ATOM 1078 C TYR A 67 6.725 -2.806 1.289 1.00 0.00 C ATOM 1079 O TYR A 67 7.239 -2.505 2.365 1.00 0.00 O ATOM 1080 CB TYR A 67 6.648 -1.693 -0.939 1.00 0.00 C ATOM 1081 CG TYR A 67 6.102 -0.439 -0.254 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.917 0.660 -0.074 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.793 -0.407 0.184 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.402 1.840 0.571 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.279 0.774 0.829 1.00 0.00 C ATOM 1086 CZ TYR A 67 5.109 1.839 0.990 1.00 0.00 C ATOM 1087 OH TYR A 67 4.623 2.954 1.599 1.00 0.00 O ATOM 0 H TYR A 67 6.878 -4.098 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 67 8.450 -2.150 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.258 -1.393 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.813 -2.272 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.941 0.635 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.155 -1.267 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.029 2.707 0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.257 0.813 1.177 1.00 0.00 H new ATOM 0 HH TYR A 67 3.733 2.766 1.963 1.00 0.00 H new ATOM 1097 N LEU A 68 5.513 -3.326 1.155 1.00 0.00 N ATOM 1098 CA LEU A 68 4.679 -3.586 2.316 1.00 0.00 C ATOM 1099 C LEU A 68 5.538 -4.179 3.434 1.00 0.00 C ATOM 1100 O LEU A 68 5.408 -3.791 4.594 1.00 0.00 O ATOM 1101 CB LEU A 68 3.483 -4.459 1.931 1.00 0.00 C ATOM 1102 CG LEU A 68 2.481 -3.833 0.959 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.626 -4.908 0.284 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.624 -2.777 1.659 1.00 0.00 C ATOM 0 H LEU A 68 5.089 -3.574 0.261 1.00 0.00 H new ATOM 0 HA LEU A 68 4.257 -2.656 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.859 -5.382 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.952 -4.735 2.842 1.00 0.00 H new ATOM 0 HG LEU A 68 3.040 -3.325 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.922 -4.436 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.270 -5.590 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.075 -5.464 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.920 -2.348 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.073 -3.240 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.267 -1.990 2.053 1.00 0.00 H new ATOM 1116 N THR A 69 6.398 -5.110 3.046 1.00 0.00 N ATOM 1117 CA THR A 69 7.278 -5.760 4.002 1.00 0.00 C ATOM 1118 C THR A 69 8.167 -4.727 4.696 1.00 0.00 C ATOM 1119 O THR A 69 8.264 -4.710 5.923 1.00 0.00 O ATOM 1120 CB THR A 69 8.068 -6.839 3.258 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.758 -7.538 4.291 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.186 -6.255 2.392 1.00 0.00 C ATOM 0 H THR A 69 6.504 -5.429 2.083 1.00 0.00 H new ATOM 0 HA THR A 69 6.711 -6.242 4.798 1.00 0.00 H new ATOM 0 HB THR A 69 7.390 -7.418 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.516 -8.025 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.715 -7.063 1.887 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.757 -5.582 1.650 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.884 -5.703 3.022 1.00 0.00 H new ATOM 1130 N ASN A 70 8.794 -3.890 3.883 1.00 0.00 N ATOM 1131 CA ASN A 70 9.672 -2.856 4.404 1.00 0.00 C ATOM 1132 C ASN A 70 9.463 -1.566 3.607 1.00 0.00 C ATOM 1133 O ASN A 70 10.284 -1.214 2.762 1.00 0.00 O ATOM 1134 CB ASN A 70 11.141 -3.261 4.269 1.00 0.00 C ATOM 1135 CG ASN A 70 11.698 -3.755 5.606 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.047 -4.911 5.774 1.00 0.00 O ATOM 1137 ND2 ASN A 70 11.761 -2.815 6.546 1.00 0.00 N ATOM 0 H ASN A 70 8.711 -3.907 2.866 1.00 0.00 H new ATOM 0 HA ASN A 70 9.433 -2.711 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.238 -4.045 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.726 -2.410 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.118 -3.044 7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.452 -1.865 6.339 1.00 0.00 H new ATOM 1144 N PRO A 71 8.329 -0.879 3.913 1.00 0.00 N ATOM 1145 CA PRO A 71 8.002 0.364 3.235 1.00 0.00 C ATOM 1146 C PRO A 71 8.876 1.512 3.743 1.00 0.00 C ATOM 1147 O PRO A 71 9.125 2.414 2.962 1.00 0.00 O ATOM 1148 CB PRO A 71 6.522 0.580 3.505 1.00 0.00 C ATOM 1149 CG PRO A 71 6.183 -0.295 4.701 1.00 0.00 C ATOM 1150 CD PRO A 71 7.334 -1.266 4.908 1.00 0.00 C ATOM 0 HA PRO A 71 8.197 0.323 2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.313 1.629 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.923 0.304 2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.034 0.316 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.253 -0.836 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.736 -1.194 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.012 -2.298 4.766 1.00 0.00 H new HETATM 1158 N M3L A 72 9.275 1.398 5.001 1.00 0.00 N HETATM 1159 CA M3L A 72 10.091 2.438 5.661 1.00 0.00 C HETATM 1160 CB M3L A 72 10.051 2.203 7.185 1.00 0.00 C HETATM 1161 CG M3L A 72 8.680 2.741 7.598 1.00 0.00 C HETATM 1162 CD M3L A 72 8.235 2.212 8.974 1.00 0.00 C HETATM 1163 CE M3L A 72 8.851 3.167 10.015 1.00 0.00 C HETATM 1164 NZ M3L A 72 7.880 4.159 10.500 1.00 0.00 N HETATM 1165 C M3L A 72 11.539 2.517 5.257 1.00 0.00 C HETATM 1166 O M3L A 72 12.171 3.568 5.347 1.00 0.00 O HETATM 1167 CM1 M3L A 72 8.724 5.007 11.376 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.354 4.919 9.347 1.00 0.00 C HETATM 1169 CM3 M3L A 72 6.779 3.520 11.239 1.00 0.00 C HETATM 0 HM33 M3L A 72 6.259 2.820 10.584 1.00 0.00 H new HETATM 0 HM32 M3L A 72 7.181 2.983 12.098 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.080 4.283 11.583 1.00 0.00 H new HETATM 0 HM23 M3L A 72 8.175 5.426 8.840 1.00 0.00 H new HETATM 0 HM22 M3L A 72 6.866 4.235 8.653 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.633 5.658 9.697 1.00 0.00 H new HETATM 0 HM13 M3L A 72 9.148 4.397 12.174 1.00 0.00 H new HETATM 0 HM12 M3L A 72 9.530 5.448 10.789 1.00 0.00 H new HETATM 0 HM11 M3L A 72 8.116 5.800 11.810 1.00 0.00 H new HETATM 0 HG3 M3L A 72 8.712 3.830 7.623 1.00 0.00 H new HETATM 0 HG2 M3L A 72 7.941 2.461 6.847 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.229 2.588 10.858 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.704 3.682 9.574 1.00 0.00 H new HETATM 0 HD3 M3L A 72 7.148 2.197 9.053 1.00 0.00 H new HETATM 0 HD2 M3L A 72 8.580 1.190 9.130 1.00 0.00 H new HETATM 0 HB3 M3L A 72 10.157 1.146 7.430 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.858 2.731 7.693 1.00 0.00 H new HETATM 0 HA M3L A 72 9.642 3.379 5.342 1.00 0.00 H new HETATM 0 H M3L A 72 8.804 0.687 5.561 1.00 0.00 H new ATOM 1189 N LYS A 73 12.010 1.402 4.717 1.00 0.00 N ATOM 1190 CA LYS A 73 13.356 1.344 4.174 1.00 0.00 C ATOM 1191 C LYS A 73 13.321 1.724 2.692 1.00 0.00 C ATOM 1192 O LYS A 73 13.840 2.770 2.303 1.00 0.00 O ATOM 1193 CB LYS A 73 13.984 -0.025 4.443 1.00 0.00 C ATOM 1194 CG LYS A 73 15.456 -0.045 4.025 1.00 0.00 C ATOM 1195 CD LYS A 73 15.759 -1.257 3.142 1.00 0.00 C ATOM 1196 CE LYS A 73 16.983 -2.017 3.656 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.196 -1.175 3.558 1.00 0.00 N ATOM 0 H LYS A 73 11.483 0.532 4.644 1.00 0.00 H new ATOM 0 HA LYS A 73 13.999 2.068 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.900 -0.266 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.437 -0.794 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.697 0.871 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.089 -0.069 4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.896 -1.922 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.933 -0.930 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.824 -2.316 4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.120 -2.931 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.035 -1.747 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.281 -0.799 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.126 -0.386 4.231 1.00 0.00 H new ATOM 1211 N TYR A 74 12.704 0.854 1.906 1.00 0.00 N ATOM 1212 CA TYR A 74 12.595 1.085 0.475 1.00 0.00 C ATOM 1213 C TYR A 74 12.303 2.558 0.179 1.00 0.00 C ATOM 1214 O TYR A 74 12.938 3.158 -0.687 1.00 0.00 O ATOM 1215 CB TYR A 74 11.413 0.238 0.001 1.00 0.00 C ATOM 1216 CG TYR A 74 11.372 0.019 -1.513 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.402 -0.650 -2.142 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.305 0.492 -2.250 1.00 0.00 C ATOM 1219 CE1 TYR A 74 12.363 -0.856 -3.566 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.266 0.287 -3.675 1.00 0.00 C ATOM 1221 CZ TYR A 74 11.297 -0.377 -4.263 1.00 0.00 C ATOM 1222 OH TYR A 74 11.261 -0.571 -5.608 1.00 0.00 O ATOM 0 H TYR A 74 12.275 -0.012 2.232 1.00 0.00 H new ATOM 0 HA TYR A 74 13.526 0.824 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.452 -0.732 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.486 0.719 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.238 -1.019 -1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.499 1.016 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.162 -1.379 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.437 0.652 -4.263 1.00 0.00 H new ATOM 0 HH TYR A 74 10.441 -0.177 -5.974 1.00 0.00 H new ATOM 1232 N ILE A 75 11.342 3.097 0.914 1.00 0.00 N ATOM 1233 CA ILE A 75 10.958 4.488 0.740 1.00 0.00 C ATOM 1234 C ILE A 75 11.299 5.269 2.010 1.00 0.00 C ATOM 1235 O ILE A 75 10.494 5.336 2.937 1.00 0.00 O ATOM 1236 CB ILE A 75 9.487 4.591 0.331 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.234 3.870 -0.995 1.00 0.00 C ATOM 1238 CG2 ILE A 75 9.031 6.051 0.286 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.753 3.920 -1.373 1.00 0.00 C ATOM 0 H ILE A 75 10.818 2.596 1.631 1.00 0.00 H new ATOM 0 HA ILE A 75 11.524 4.940 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 75 8.886 4.089 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.830 4.331 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.558 2.832 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.982 6.096 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.152 6.500 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.634 6.598 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.601 3.400 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.162 3.437 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.438 4.959 -1.475 1.00 0.00 H new ATOM 1251 N PRO A 76 12.526 5.855 2.012 1.00 0.00 N ATOM 1252 CA PRO A 76 12.984 6.629 3.154 1.00 0.00 C ATOM 1253 C PRO A 76 12.294 7.994 3.203 1.00 0.00 C ATOM 1254 O PRO A 76 12.852 8.992 2.751 1.00 0.00 O ATOM 1255 CB PRO A 76 14.491 6.732 2.980 1.00 0.00 C ATOM 1256 CG PRO A 76 14.765 6.416 1.519 1.00 0.00 C ATOM 1257 CD PRO A 76 13.507 5.797 0.932 1.00 0.00 C ATOM 0 HA PRO A 76 12.737 6.160 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.846 7.730 3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.008 6.031 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.033 7.322 0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.606 5.729 1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.165 6.349 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.683 4.770 0.612 1.00 0.00 H new ATOM 1265 N GLY A 77 11.090 7.992 3.757 1.00 0.00 N ATOM 1266 CA GLY A 77 10.318 9.218 3.871 1.00 0.00 C ATOM 1267 C GLY A 77 8.857 8.984 3.480 1.00 0.00 C ATOM 1268 O GLY A 77 8.269 9.786 2.756 1.00 0.00 O ATOM 0 H GLY A 77 10.631 7.162 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.369 9.591 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.751 9.986 3.230 1.00 0.00 H new ATOM 1272 N THR A 78 8.314 7.882 3.975 1.00 0.00 N ATOM 1273 CA THR A 78 6.934 7.532 3.686 1.00 0.00 C ATOM 1274 C THR A 78 6.083 7.624 4.954 1.00 0.00 C ATOM 1275 O THR A 78 6.289 6.866 5.900 1.00 0.00 O ATOM 1276 CB THR A 78 6.922 6.143 3.046 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.612 6.024 2.498 1.00 0.00 O ATOM 1278 CG2 THR A 78 6.996 5.020 4.082 1.00 0.00 C ATOM 0 H THR A 78 8.805 7.219 4.575 1.00 0.00 H new ATOM 0 HA THR A 78 6.488 8.234 2.982 1.00 0.00 H new ATOM 0 HB THR A 78 7.760 6.055 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.430 5.084 2.287 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.984 4.055 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.917 5.116 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.140 5.087 4.753 1.00 0.00 H new ATOM 1286 N LYS A 79 5.146 8.560 4.933 1.00 0.00 N ATOM 1287 CA LYS A 79 4.263 8.761 6.070 1.00 0.00 C ATOM 1288 C LYS A 79 3.670 7.416 6.493 1.00 0.00 C ATOM 1289 O LYS A 79 3.256 7.249 7.639 1.00 0.00 O ATOM 1290 CB LYS A 79 3.211 9.824 5.749 1.00 0.00 C ATOM 1291 CG LYS A 79 3.701 11.218 6.147 1.00 0.00 C ATOM 1292 CD LYS A 79 2.588 12.018 6.827 1.00 0.00 C ATOM 1293 CE LYS A 79 3.043 12.540 8.191 1.00 0.00 C ATOM 1294 NZ LYS A 79 2.377 11.792 9.281 1.00 0.00 N ATOM 0 H LYS A 79 4.979 9.188 4.147 1.00 0.00 H new ATOM 0 HA LYS A 79 4.821 9.146 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.983 9.805 4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.285 9.596 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.553 11.129 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.048 11.751 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.297 12.855 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.706 11.389 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.125 12.441 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.812 13.602 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.697 12.159 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.346 11.907 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.619 10.783 9.208 1.00 0.00 H new ATOM 1308 N MET A 80 3.647 6.491 5.545 1.00 0.00 N ATOM 1309 CA MET A 80 3.111 5.165 5.805 1.00 0.00 C ATOM 1310 C MET A 80 3.889 4.469 6.923 1.00 0.00 C ATOM 1311 O MET A 80 4.901 3.818 6.667 1.00 0.00 O ATOM 1312 CB MET A 80 3.186 4.324 4.529 1.00 0.00 C ATOM 1313 CG MET A 80 2.738 2.885 4.794 1.00 0.00 C ATOM 1314 SD MET A 80 2.336 2.078 3.254 1.00 0.00 S ATOM 1315 CE MET A 80 2.220 0.387 3.811 1.00 0.00 C ATOM 0 H MET A 80 3.991 6.633 4.595 1.00 0.00 H new ATOM 0 HA MET A 80 2.073 5.269 6.121 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.556 4.769 3.758 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.207 4.326 4.147 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.530 2.337 5.305 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.870 2.881 5.454 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.690 -0.206 3.066 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.222 -0.019 3.953 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.677 0.351 4.756 1.00 0.00 H new ATOM 1325 N ALA A 81 3.388 4.630 8.139 1.00 0.00 N ATOM 1326 CA ALA A 81 4.024 4.025 9.297 1.00 0.00 C ATOM 1327 C ALA A 81 3.417 2.642 9.542 1.00 0.00 C ATOM 1328 O ALA A 81 2.601 2.469 10.446 1.00 0.00 O ATOM 1329 CB ALA A 81 3.871 4.950 10.505 1.00 0.00 C ATOM 0 H ALA A 81 2.549 5.171 8.347 1.00 0.00 H new ATOM 0 HA ALA A 81 5.091 3.891 9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.348 4.496 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.343 5.909 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.812 5.105 10.712 1.00 0.00 H new ATOM 1335 N PHE A 82 3.839 1.691 8.720 1.00 0.00 N ATOM 1336 CA PHE A 82 3.347 0.329 8.836 1.00 0.00 C ATOM 1337 C PHE A 82 4.409 -0.587 9.450 1.00 0.00 C ATOM 1338 O PHE A 82 5.602 -0.403 9.215 1.00 0.00 O ATOM 1339 CB PHE A 82 3.030 -0.154 7.420 1.00 0.00 C ATOM 1340 CG PHE A 82 2.638 -1.631 7.339 1.00 0.00 C ATOM 1341 CD1 PHE A 82 3.598 -2.593 7.381 1.00 0.00 C ATOM 1342 CD2 PHE A 82 1.328 -1.981 7.226 1.00 0.00 C ATOM 1343 CE1 PHE A 82 3.233 -3.964 7.306 1.00 0.00 C ATOM 1344 CE2 PHE A 82 0.964 -3.352 7.152 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.924 -4.314 7.194 1.00 0.00 C ATOM 0 H PHE A 82 4.516 1.838 7.971 1.00 0.00 H new ATOM 0 HA PHE A 82 2.468 0.304 9.480 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.218 0.450 7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.900 0.016 6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.638 -2.315 7.471 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.565 -1.217 7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.995 -4.728 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.076 -3.630 7.062 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.647 -5.356 7.138 1.00 0.00 H new ATOM 1355 N GLY A 83 3.935 -1.553 10.223 1.00 0.00 N ATOM 1356 CA GLY A 83 4.829 -2.497 10.872 1.00 0.00 C ATOM 1357 C GLY A 83 5.427 -3.472 9.856 1.00 0.00 C ATOM 1358 O GLY A 83 4.778 -4.440 9.462 1.00 0.00 O ATOM 0 H GLY A 83 2.944 -1.702 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.629 -1.957 11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.285 -3.051 11.637 1.00 0.00 H new ATOM 1362 N GLY A 84 6.659 -3.183 9.461 1.00 0.00 N ATOM 1363 CA GLY A 84 7.352 -4.022 8.498 1.00 0.00 C ATOM 1364 C GLY A 84 7.031 -5.501 8.728 1.00 0.00 C ATOM 1365 O GLY A 84 7.544 -6.113 9.664 1.00 0.00 O ATOM 0 H GLY A 84 7.195 -2.380 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.063 -3.736 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.427 -3.863 8.579 1.00 0.00 H new ATOM 1369 N LEU A 85 6.184 -6.032 7.859 1.00 0.00 N ATOM 1370 CA LEU A 85 5.789 -7.427 7.955 1.00 0.00 C ATOM 1371 C LEU A 85 7.004 -8.316 7.685 1.00 0.00 C ATOM 1372 O LEU A 85 8.130 -7.827 7.600 1.00 0.00 O ATOM 1373 CB LEU A 85 4.601 -7.712 7.034 1.00 0.00 C ATOM 1374 CG LEU A 85 3.214 -7.548 7.659 1.00 0.00 C ATOM 1375 CD1 LEU A 85 2.118 -7.657 6.597 1.00 0.00 C ATOM 1376 CD2 LEU A 85 3.006 -8.544 8.801 1.00 0.00 C ATOM 0 H LEU A 85 5.760 -5.521 7.085 1.00 0.00 H new ATOM 0 HA LEU A 85 5.443 -7.657 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.669 -7.050 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.692 -8.732 6.662 1.00 0.00 H new ATOM 0 HG LEU A 85 3.149 -6.548 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.142 -7.537 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.258 -6.877 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.172 -8.634 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.013 -8.406 9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.099 -9.561 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.758 -8.376 9.572 1.00 0.00 H new ATOM 1388 N LYS A 86 6.735 -9.608 7.557 1.00 0.00 N ATOM 1389 CA LYS A 86 7.793 -10.570 7.298 1.00 0.00 C ATOM 1390 C LYS A 86 7.170 -11.922 6.943 1.00 0.00 C ATOM 1391 O LYS A 86 7.631 -12.600 6.026 1.00 0.00 O ATOM 1392 CB LYS A 86 8.763 -10.631 8.480 1.00 0.00 C ATOM 1393 CG LYS A 86 8.019 -10.917 9.786 1.00 0.00 C ATOM 1394 CD LYS A 86 8.258 -12.356 10.249 1.00 0.00 C ATOM 1395 CE LYS A 86 9.600 -12.482 10.973 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.719 -12.405 10.008 1.00 0.00 N ATOM 0 H LYS A 86 5.800 -10.010 7.628 1.00 0.00 H new ATOM 0 HA LYS A 86 8.391 -10.258 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.508 -11.407 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.301 -9.686 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.352 -10.223 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.951 -10.749 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.452 -12.667 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.240 -13.026 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.696 -11.688 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.642 -13.428 11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.554 -12.879 10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.445 -12.874 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.945 -11.408 9.817 1.00 0.00 H new ATOM 1410 N LYS A 87 6.133 -12.274 7.689 1.00 0.00 N ATOM 1411 CA LYS A 87 5.442 -13.532 7.464 1.00 0.00 C ATOM 1412 C LYS A 87 4.994 -13.610 6.003 1.00 0.00 C ATOM 1413 O LYS A 87 3.902 -13.160 5.661 1.00 0.00 O ATOM 1414 CB LYS A 87 4.300 -13.703 8.468 1.00 0.00 C ATOM 1415 CG LYS A 87 4.840 -13.990 9.870 1.00 0.00 C ATOM 1416 CD LYS A 87 5.339 -15.432 9.981 1.00 0.00 C ATOM 1417 CE LYS A 87 5.425 -15.872 11.444 1.00 0.00 C ATOM 1418 NZ LYS A 87 6.516 -15.152 12.138 1.00 0.00 N ATOM 0 H LYS A 87 5.755 -11.710 8.450 1.00 0.00 H new ATOM 0 HA LYS A 87 6.115 -14.372 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.690 -12.800 8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.651 -14.519 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.654 -13.301 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.057 -13.814 10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.667 -16.096 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.320 -15.518 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.477 -15.677 11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.599 -16.947 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.561 -15.462 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.421 -15.358 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.334 -14.129 12.103 1.00 0.00 H new ATOM 1432 N GLU A 88 5.861 -14.183 5.182 1.00 0.00 N ATOM 1433 CA GLU A 88 5.568 -14.326 3.766 1.00 0.00 C ATOM 1434 C GLU A 88 4.091 -14.667 3.560 1.00 0.00 C ATOM 1435 O GLU A 88 3.365 -13.925 2.900 1.00 0.00 O ATOM 1436 CB GLU A 88 6.469 -15.382 3.123 1.00 0.00 C ATOM 1437 CG GLU A 88 6.502 -16.660 3.964 1.00 0.00 C ATOM 1438 CD GLU A 88 7.831 -17.398 3.788 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.841 -16.881 4.315 1.00 0.00 O ATOM 1440 OE2 GLU A 88 7.807 -18.461 3.132 1.00 0.00 O ATOM 0 H GLU A 88 6.767 -14.554 5.470 1.00 0.00 H new ATOM 0 HA GLU A 88 5.772 -13.374 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.108 -15.611 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.479 -14.987 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.356 -16.412 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.678 -17.312 3.673 1.00 0.00 H new ATOM 1447 N LYS A 89 3.690 -15.789 4.139 1.00 0.00 N ATOM 1448 CA LYS A 89 2.312 -16.238 4.028 1.00 0.00 C ATOM 1449 C LYS A 89 1.375 -15.045 4.228 1.00 0.00 C ATOM 1450 O LYS A 89 0.588 -14.714 3.343 1.00 0.00 O ATOM 1451 CB LYS A 89 2.047 -17.397 4.990 1.00 0.00 C ATOM 1452 CG LYS A 89 3.172 -18.432 4.925 1.00 0.00 C ATOM 1453 CD LYS A 89 2.608 -19.845 4.761 1.00 0.00 C ATOM 1454 CE LYS A 89 3.595 -20.746 4.015 1.00 0.00 C ATOM 1455 NZ LYS A 89 4.660 -21.216 4.929 1.00 0.00 N ATOM 0 H LYS A 89 4.295 -16.401 4.687 1.00 0.00 H new ATOM 0 HA LYS A 89 2.118 -16.633 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.957 -17.016 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.097 -17.871 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.835 -18.202 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.772 -18.379 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.391 -20.270 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.665 -19.803 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.068 -21.601 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.037 -20.200 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.321 -21.826 4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.174 -20.398 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.234 -21.755 5.710 1.00 0.00 H new ATOM 1469 N ASP A 90 1.490 -14.433 5.398 1.00 0.00 N ATOM 1470 CA ASP A 90 0.662 -13.284 5.725 1.00 0.00 C ATOM 1471 C ASP A 90 0.549 -12.376 4.499 1.00 0.00 C ATOM 1472 O ASP A 90 -0.480 -11.734 4.291 1.00 0.00 O ATOM 1473 CB ASP A 90 1.279 -12.468 6.863 1.00 0.00 C ATOM 1474 CG ASP A 90 0.451 -12.423 8.149 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.666 -12.982 8.124 1.00 0.00 O ATOM 1476 OD2 ASP A 90 0.955 -11.830 9.127 1.00 0.00 O ATOM 0 H ASP A 90 2.143 -14.711 6.130 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.317 -13.650 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.261 -12.881 7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.437 -11.447 6.514 1.00 0.00 H new ATOM 1481 N ARG A 91 1.620 -12.351 3.720 1.00 0.00 N ATOM 1482 CA ARG A 91 1.654 -11.532 2.520 1.00 0.00 C ATOM 1483 C ARG A 91 1.119 -12.322 1.324 1.00 0.00 C ATOM 1484 O ARG A 91 0.396 -11.778 0.490 1.00 0.00 O ATOM 1485 CB ARG A 91 3.077 -11.060 2.216 1.00 0.00 C ATOM 1486 CG ARG A 91 3.903 -10.948 3.498 1.00 0.00 C ATOM 1487 CD ARG A 91 5.172 -10.125 3.263 1.00 0.00 C ATOM 1488 NE ARG A 91 5.967 -10.723 2.167 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.285 -10.541 2.009 1.00 0.00 C ATOM 1490 NH1 ARG A 91 7.964 -9.777 2.875 1.00 0.00 N ATOM 1491 NH2 ARG A 91 7.923 -11.123 0.985 1.00 0.00 N ATOM 0 H ARG A 91 2.471 -12.885 3.896 1.00 0.00 H new ATOM 0 HA ARG A 91 1.024 -10.660 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.557 -11.758 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.044 -10.093 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.304 -10.484 4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.171 -11.944 3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.908 -9.097 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.766 -10.088 4.176 1.00 0.00 H new ATOM 0 HE ARG A 91 5.481 -11.311 1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.478 -9.334 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.967 -9.638 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.405 -11.704 0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.926 -10.985 0.864 1.00 0.00 H new ATOM 1505 N ASN A 92 1.495 -13.591 1.277 1.00 0.00 N ATOM 1506 CA ASN A 92 1.062 -14.461 0.196 1.00 0.00 C ATOM 1507 C ASN A 92 -0.451 -14.328 0.016 1.00 0.00 C ATOM 1508 O ASN A 92 -0.936 -14.186 -1.105 1.00 0.00 O ATOM 1509 CB ASN A 92 1.375 -15.926 0.509 1.00 0.00 C ATOM 1510 CG ASN A 92 2.883 -16.181 0.488 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.661 -15.414 -0.054 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.251 -17.299 1.107 1.00 0.00 N ATOM 0 H ASN A 92 2.095 -14.038 1.970 1.00 0.00 H new ATOM 0 HA ASN A 92 1.592 -14.165 -0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.972 -16.187 1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.883 -16.570 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.237 -17.558 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.548 -17.897 1.541 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.156 -14.380 1.137 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.604 -14.267 1.117 1.00 0.00 C ATOM 1521 C ASP A 93 -2.995 -12.833 0.756 1.00 0.00 C ATOM 1522 O ASP A 93 -3.695 -12.606 -0.230 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.201 -14.589 2.489 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.619 -15.828 3.172 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -1.512 -16.236 2.761 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -3.295 -16.339 4.091 1.00 0.00 O ATOM 0 H ASP A 93 -0.751 -14.499 2.065 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.987 -14.975 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.055 -13.729 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.277 -14.725 2.378 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.526 -11.902 1.574 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.818 -10.496 1.353 1.00 0.00 C ATOM 1533 C LEU A 94 -2.681 -10.179 -0.137 1.00 0.00 C ATOM 1534 O LEU A 94 -3.673 -9.909 -0.812 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.942 -9.620 2.251 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.657 -8.478 2.978 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.981 -8.955 3.579 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.746 -7.842 4.029 1.00 0.00 C ATOM 0 H LEU A 94 -1.946 -12.094 2.391 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.847 -10.272 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.468 -10.258 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.144 -9.194 1.643 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.895 -7.704 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.469 -8.125 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.630 -9.324 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.789 -9.757 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.278 -7.034 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.455 -8.595 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.854 -7.444 3.545 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.443 -10.222 -0.608 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.163 -9.943 -2.006 1.00 0.00 C ATOM 1552 C ILE A 95 -2.224 -10.617 -2.878 1.00 0.00 C ATOM 1553 O ILE A 95 -2.524 -10.144 -3.974 1.00 0.00 O ATOM 1554 CB ILE A 95 0.270 -10.349 -2.357 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.284 -9.500 -1.589 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.501 -10.291 -3.868 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.496 -10.336 -1.173 1.00 0.00 C ATOM 0 H ILE A 95 -0.622 -10.446 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.223 -8.872 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 95 0.418 -11.384 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.609 -8.665 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.811 -9.074 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.527 -10.584 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.188 -10.972 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.328 -9.275 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.201 -9.708 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.170 -11.155 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.981 -10.741 -2.061 1.00 0.00 H new ATOM 1569 N THR A 96 -2.765 -11.710 -2.359 1.00 0.00 N ATOM 1570 CA THR A 96 -3.786 -12.453 -3.077 1.00 0.00 C ATOM 1571 C THR A 96 -5.155 -11.795 -2.890 1.00 0.00 C ATOM 1572 O THR A 96 -5.900 -11.621 -3.853 1.00 0.00 O ATOM 1573 CB THR A 96 -3.740 -13.905 -2.597 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.413 -14.648 -3.768 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.118 -14.433 -2.194 1.00 0.00 C ATOM 0 H THR A 96 -2.515 -12.099 -1.450 1.00 0.00 H new ATOM 0 HA THR A 96 -3.599 -12.444 -4.151 1.00 0.00 H new ATOM 0 HB THR A 96 -3.059 -13.985 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.665 -14.216 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.028 -15.467 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.518 -13.824 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.791 -14.384 -3.050 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.443 -11.446 -1.645 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.709 -10.811 -1.320 1.00 0.00 C ATOM 1585 C TYR A 97 -6.741 -9.365 -1.820 1.00 0.00 C ATOM 1586 O TYR A 97 -7.716 -8.941 -2.439 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.801 -10.812 0.207 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.177 -10.418 0.748 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.214 -11.328 0.725 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -8.381 -9.152 1.259 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.509 -10.957 1.234 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -9.676 -8.781 1.768 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.676 -9.702 1.730 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.899 -9.352 2.211 1.00 0.00 O ATOM 0 H TYR A 97 -4.822 -11.591 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.537 -11.342 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.548 -11.806 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.055 -10.125 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.054 -12.319 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.569 -8.440 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.329 -11.660 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.849 -7.794 2.171 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.871 -8.427 2.534 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.664 -8.649 -1.533 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.557 -7.260 -1.946 1.00 0.00 C ATOM 1606 C LEU A 98 -6.013 -7.129 -3.401 1.00 0.00 C ATOM 1607 O LEU A 98 -6.803 -6.245 -3.729 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.142 -6.734 -1.695 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.043 -5.424 -0.911 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.953 -4.353 -1.515 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.332 -5.651 0.574 1.00 0.00 C ATOM 0 H LEU A 98 -4.858 -9.005 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.216 -6.632 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.581 -7.499 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.651 -6.596 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.020 -5.057 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.863 -3.432 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.658 -4.165 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.987 -4.698 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.255 -4.704 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.338 -6.053 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.609 -6.358 0.982 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.496 -8.021 -4.233 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.840 -8.015 -5.644 1.00 0.00 C ATOM 1625 C LYS A 99 -7.321 -8.365 -5.805 1.00 0.00 C ATOM 1626 O LYS A 99 -7.986 -7.863 -6.710 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.903 -8.936 -6.428 1.00 0.00 C ATOM 1628 CG LYS A 99 -5.350 -9.061 -7.886 1.00 0.00 C ATOM 1629 CD LYS A 99 -4.147 -9.242 -8.814 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.389 -10.379 -9.809 1.00 0.00 C ATOM 1631 NZ LYS A 99 -5.060 -9.869 -11.026 1.00 0.00 N ATOM 0 H LYS A 99 -4.841 -8.753 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.699 -7.020 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.886 -8.546 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.884 -9.922 -5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.026 -9.909 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.908 -8.171 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.957 -8.315 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.256 -9.454 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.440 -10.843 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.002 -11.152 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.217 -10.653 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.974 -9.447 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.461 -9.148 -11.476 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.795 -9.222 -4.912 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.184 -9.644 -4.943 1.00 0.00 C ATOM 1647 C LYS A 100 -10.082 -8.457 -4.587 1.00 0.00 C ATOM 1648 O LYS A 100 -10.974 -8.097 -5.354 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.394 -10.864 -4.045 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.789 -11.461 -4.247 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.457 -11.759 -2.904 1.00 0.00 C ATOM 1652 CE LYS A 100 -11.290 -13.231 -2.523 1.00 0.00 C ATOM 1653 NZ LYS A 100 -9.868 -13.538 -2.251 1.00 0.00 N ATOM 0 H LYS A 100 -7.241 -9.635 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.462 -9.965 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.637 -11.617 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.265 -10.578 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.406 -10.767 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.715 -12.378 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.022 -11.128 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.517 -11.512 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.891 -13.455 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.657 -13.865 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.783 -14.518 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.315 -13.424 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.505 -12.888 -1.525 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.814 -7.881 -3.424 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.586 -6.742 -2.957 1.00 0.00 C ATOM 1669 C ALA A 101 -10.342 -5.551 -3.886 1.00 0.00 C ATOM 1670 O ALA A 101 -11.282 -4.858 -4.271 1.00 0.00 O ATOM 1671 CB ALA A 101 -10.214 -6.434 -1.505 1.00 0.00 C ATOM 0 H ALA A 101 -9.073 -8.182 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.653 -6.966 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.793 -5.580 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.433 -7.301 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.151 -6.202 -1.443 1.00 0.00 H new ATOM 1677 N SER A 102 -9.076 -5.351 -4.220 1.00 0.00 N ATOM 1678 CA SER A 102 -8.697 -4.256 -5.097 1.00 0.00 C ATOM 1679 C SER A 102 -9.386 -4.410 -6.454 1.00 0.00 C ATOM 1680 O SER A 102 -9.720 -3.419 -7.101 1.00 0.00 O ATOM 1681 CB SER A 102 -7.179 -4.194 -5.276 1.00 0.00 C ATOM 1682 OG SER A 102 -6.510 -3.877 -4.058 1.00 0.00 O ATOM 0 H SER A 102 -8.299 -5.929 -3.899 1.00 0.00 H new ATOM 0 HA SER A 102 -9.020 -3.322 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.818 -5.153 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.933 -3.446 -6.030 1.00 0.00 H new ATOM 0 HG SER A 102 -6.625 -4.613 -3.421 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.578 -5.661 -6.846 1.00 0.00 N ATOM 1689 CA GLU A 103 -10.220 -5.958 -8.115 1.00 0.00 C ATOM 1690 C GLU A 103 -10.964 -7.293 -8.034 1.00 0.00 C ATOM 1691 O GLU A 103 -12.183 -7.339 -8.185 1.00 0.00 O ATOM 1692 CB GLU A 103 -9.202 -5.966 -9.257 1.00 0.00 C ATOM 1693 CG GLU A 103 -9.853 -5.539 -10.574 1.00 0.00 C ATOM 1694 CD GLU A 103 -9.445 -6.473 -11.715 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -8.236 -6.488 -12.032 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -10.351 -7.152 -12.245 1.00 0.00 O ATOM 0 H GLU A 103 -9.300 -6.481 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.945 -5.172 -8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.378 -5.293 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.778 -6.964 -9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.938 -5.543 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.561 -4.517 -10.814 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.216 2.119 3.317 1.00 0.00 FE HETATM 1705 CHA HEC A 104 0.885 4.376 0.923 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.787 -0.091 0.728 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.788 -0.211 5.549 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.232 4.502 5.552 1.00 0.00 C HETATM 1709 NA HEC A 104 0.008 2.181 1.271 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.455 3.145 0.451 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.737 2.640 -0.914 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.235 1.404 -0.937 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.191 1.044 0.343 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.253 0.431 -2.177 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.250 3.539 -2.002 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.129 4.554 -2.398 1.00 0.00 C HETATM 1717 CGA HEC A 104 0.550 5.864 -3.047 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.714 6.788 -2.242 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.714 5.936 -4.284 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.709 0.195 3.164 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.109 -0.484 2.020 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.481 -1.822 2.470 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.428 -1.911 3.822 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.991 -0.598 4.211 1.00 0.00 C HETATM 1725 CMB HEC A 104 -2.019 -2.902 1.461 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.791 -3.023 4.771 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.958 -4.303 4.591 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.460 2.187 5.201 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.683 1.154 6.059 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.913 1.469 7.414 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.708 2.802 7.426 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.516 3.265 6.053 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.196 0.557 8.569 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.976 3.868 8.534 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.199 3.555 9.833 1.00 0.00 C HETATM 1736 ND HEC A 104 0.232 4.088 3.251 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.163 4.943 4.345 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.565 6.219 3.971 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.914 6.183 2.675 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.775 4.799 2.228 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.688 7.485 4.936 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.552 7.353 1.885 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.721 8.614 1.932 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.333 9.854 2.555 1.00 0.00 C HETATM 1745 O1D HEC A 104 0.814 10.274 3.625 1.00 0.00 O HETATM 1746 O2D HEC A 104 2.188 10.426 1.842 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.285 7.701 5.378 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.407 7.271 5.727 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.026 8.348 4.363 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.108 -0.006 8.373 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.364 -0.135 8.699 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.322 1.148 9.476 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.929 -2.535 0.987 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.265 -3.095 0.698 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.236 -3.825 1.998 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.286 0.889 -3.006 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.284 0.241 -2.475 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.226 -0.510 -1.908 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.434 8.862 0.910 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -0.197 8.388 2.474 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.506 2.581 10.215 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.871 3.542 9.623 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.413 4.321 10.579 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -1.096 -4.688 3.581 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.096 -4.077 4.752 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.283 -5.053 5.312 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.554 4.048 -3.080 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.438 4.794 -1.498 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.543 7.561 2.290 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.689 7.052 0.846 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.137 4.073 -1.662 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.546 2.949 -2.869 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.350 5.301 6.284 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.700 -1.014 6.281 1.00 0.00 H new HETATM 0 HHB HEC A 104 -1.051 -0.789 -0.067 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.344 5.059 0.208 1.00 0.00 H new HETATM 0 H2D HEC A 104 2.418 11.292 2.239 1.00 0.00 H new HETATM 0 H2A HEC A 104 -0.001 6.479 -4.678 1.00 0.00 H new