USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 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 Set 1.1: A 103 CYS SG : rot -61:sc= 0.65 USER MOD Set 1.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 114 SER OG : rot 158:sc= 0.787 USER MOD Set 2.1: A 79 SER OG : rot -77:sc= 0.149 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.496 K(o=-0.35,f=-1.8) USER MOD Set 3.1: A 44 SER OG : rot 129:sc= 0.122 USER MOD Set 3.2: A 59 HIS : +bothHN:sc= -5.36! C(o=-2.8!,f=-15!) USER MOD Set 3.3: A 67 SER OG : rot 99:sc= 2.1 USER MOD Set 3.4: A 112 TYR OH : rot 180:sc= 0.308 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 29 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.0321 (180deg=-0.259) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -143:sc= 1.16 (180deg=-0.114) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 46 THR OG1 : rot -169:sc= 0.204 USER MOD Single : A 47 TYR OH : rot -30:sc= -0.618 USER MOD Single : A 56 SER OG : rot -3:sc= -1.13 USER MOD Single : A 58 SER OG : rot 160:sc= -0.514 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -2.14 F(o=-2.8!,f=-2.1) USER MOD Single : A 71 SER OG : rot 110:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0471 F(o=-0.74,f=-0.047) USER MOD Single : A 85 CYS SG : rot 70:sc= -5.57! USER MOD Single : A 86 MET CE :methyl -162:sc= -0.726 (180deg=-1.96) USER MOD Single : A 87 GLN :FLIP amide:sc= -8.71! C(o=-9.7!,f=-8.7!) USER MOD Single : A 91 ASN : amide:sc= -5.63 K(o=-5.6,f=-7.9!) USER MOD Single : A 93 SER OG : rot 164:sc= 1.31 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc=-0.00479 X(o=-0.0048,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.0333 K(o=-0.033,f=-0.86) USER MOD Single : A 101 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-3.2!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.56) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -1.34 F(o=-3.7!,f=-1.3) USER MOD Single : A 118 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1.5!) USER MOD Single : A 120 TYR OH : rot -114:sc= 0.0172 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -55:sc= 0.988 USER MOD Single : A 130 GLN : amide:sc= -0.0285 K(o=-0.028,f=-1.3) USER MOD Single : A 132 THR OG1 : rot 97:sc= -1.07 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.00093) USER MOD Single : A 137 THR OG1 : rot 180:sc=-0.00909 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.224 20.614 -15.528 1.00 0.00 N ATOM 2 CA GLY A 1 -14.648 21.424 -16.655 1.00 0.00 C ATOM 3 C GLY A 1 -14.639 20.653 -17.960 1.00 0.00 C ATOM 4 O GLY A 1 -15.573 19.908 -18.256 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.248 21.187 -14.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.865 19.801 -15.424 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.255 20.272 -15.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.652 21.804 -16.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.991 22.290 -16.744 1.00 0.00 H new ATOM 8 N SER A 2 -13.580 20.833 -18.744 1.00 0.00 N ATOM 9 CA SER A 2 -13.456 20.152 -20.028 1.00 0.00 C ATOM 10 C SER A 2 -12.500 18.968 -19.925 1.00 0.00 C ATOM 11 O SER A 2 -12.826 17.854 -20.333 1.00 0.00 O ATOM 12 CB SER A 2 -12.965 21.126 -21.100 1.00 0.00 C ATOM 13 OG SER A 2 -14.051 21.797 -21.716 1.00 0.00 O ATOM 0 H SER A 2 -12.797 21.444 -18.513 1.00 0.00 H new ATOM 0 HA SER A 2 -14.440 19.778 -20.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.290 21.855 -20.652 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.394 20.584 -21.854 1.00 0.00 H new ATOM 0 HG SER A 2 -13.710 22.415 -22.396 1.00 0.00 H new ATOM 19 N SER A 3 -11.316 19.218 -19.375 1.00 0.00 N ATOM 20 CA SER A 3 -10.309 18.175 -19.220 1.00 0.00 C ATOM 21 C SER A 3 -10.034 17.900 -17.745 1.00 0.00 C ATOM 22 O SER A 3 -10.239 16.788 -17.260 1.00 0.00 O ATOM 23 CB SER A 3 -9.013 18.578 -19.926 1.00 0.00 C ATOM 24 OG SER A 3 -9.252 18.901 -21.285 1.00 0.00 O ATOM 0 H SER A 3 -11.031 20.134 -19.029 1.00 0.00 H new ATOM 0 HA SER A 3 -10.694 17.263 -19.676 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.570 19.434 -19.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.293 17.762 -19.864 1.00 0.00 H new ATOM 0 HG SER A 3 -8.409 19.157 -21.714 1.00 0.00 H new ATOM 30 N GLY A 4 -9.565 18.923 -17.035 1.00 0.00 N ATOM 31 CA GLY A 4 -9.269 18.772 -15.623 1.00 0.00 C ATOM 32 C GLY A 4 -7.857 19.201 -15.279 1.00 0.00 C ATOM 33 O GLY A 4 -7.022 18.376 -14.908 1.00 0.00 O ATOM 0 H GLY A 4 -9.385 19.853 -17.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.977 19.362 -15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.410 17.730 -15.335 1.00 0.00 H new ATOM 37 N SER A 5 -7.587 20.497 -15.403 1.00 0.00 N ATOM 38 CA SER A 5 -6.263 21.034 -15.106 1.00 0.00 C ATOM 39 C SER A 5 -6.134 21.374 -13.625 1.00 0.00 C ATOM 40 O SER A 5 -6.681 22.372 -13.155 1.00 0.00 O ATOM 41 CB SER A 5 -5.994 22.280 -15.952 1.00 0.00 C ATOM 42 OG SER A 5 -5.469 21.931 -17.221 1.00 0.00 O ATOM 0 H SER A 5 -8.267 21.194 -15.707 1.00 0.00 H new ATOM 0 HA SER A 5 -5.525 20.270 -15.351 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.918 22.843 -16.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.293 22.932 -15.432 1.00 0.00 H new ATOM 0 HG SER A 5 -5.307 22.744 -17.743 1.00 0.00 H new ATOM 48 N SER A 6 -5.407 20.535 -12.893 1.00 0.00 N ATOM 49 CA SER A 6 -5.208 20.744 -11.463 1.00 0.00 C ATOM 50 C SER A 6 -4.086 19.854 -10.937 1.00 0.00 C ATOM 51 O SER A 6 -4.214 18.631 -10.898 1.00 0.00 O ATOM 52 CB SER A 6 -6.502 20.458 -10.700 1.00 0.00 C ATOM 53 OG SER A 6 -6.272 20.419 -9.302 1.00 0.00 O ATOM 0 H SER A 6 -4.946 19.705 -13.266 1.00 0.00 H new ATOM 0 HA SER A 6 -4.926 21.785 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.240 21.227 -10.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.920 19.507 -11.030 1.00 0.00 H new ATOM 0 HG SER A 6 -7.115 20.236 -8.837 1.00 0.00 H new ATOM 59 N GLY A 7 -2.985 20.479 -10.530 1.00 0.00 N ATOM 60 CA GLY A 7 -1.856 19.730 -10.010 1.00 0.00 C ATOM 61 C GLY A 7 -1.776 19.776 -8.497 1.00 0.00 C ATOM 62 O GLY A 7 -2.526 20.508 -7.852 1.00 0.00 O ATOM 0 H GLY A 7 -2.855 21.490 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.932 18.692 -10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.934 20.130 -10.432 1.00 0.00 H new ATOM 66 N MET A 8 -0.866 18.992 -7.929 1.00 0.00 N ATOM 67 CA MET A 8 -0.692 18.946 -6.482 1.00 0.00 C ATOM 68 C MET A 8 0.756 18.635 -6.118 1.00 0.00 C ATOM 69 O MET A 8 1.535 18.185 -6.958 1.00 0.00 O ATOM 70 CB MET A 8 -1.621 17.898 -5.868 1.00 0.00 C ATOM 71 CG MET A 8 -1.409 16.498 -6.421 1.00 0.00 C ATOM 72 SD MET A 8 -2.365 15.250 -5.539 1.00 0.00 S ATOM 73 CE MET A 8 -1.338 13.803 -5.782 1.00 0.00 C ATOM 0 H MET A 8 -0.237 18.380 -8.449 1.00 0.00 H new ATOM 0 HA MET A 8 -0.946 19.926 -6.079 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.471 17.880 -4.788 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.655 18.195 -6.041 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.684 16.483 -7.476 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.350 16.246 -6.364 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.798 12.944 -5.293 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.239 13.602 -6.849 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.352 13.980 -5.353 1.00 0.00 H new ATOM 83 N GLY A 9 1.111 18.878 -4.860 1.00 0.00 N ATOM 84 CA GLY A 9 2.465 18.617 -4.407 1.00 0.00 C ATOM 85 C GLY A 9 2.722 17.143 -4.165 1.00 0.00 C ATOM 86 O GLY A 9 1.916 16.294 -4.546 1.00 0.00 O ATOM 0 H GLY A 9 0.485 19.251 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.171 18.988 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.650 19.171 -3.486 1.00 0.00 H new ATOM 90 N ASP A 10 3.848 16.837 -3.531 1.00 0.00 N ATOM 91 CA ASP A 10 4.210 15.454 -3.238 1.00 0.00 C ATOM 92 C ASP A 10 4.592 15.292 -1.771 1.00 0.00 C ATOM 93 O ASP A 10 5.203 16.171 -1.162 1.00 0.00 O ATOM 94 CB ASP A 10 5.368 15.008 -4.132 1.00 0.00 C ATOM 95 CG ASP A 10 6.539 15.969 -4.086 1.00 0.00 C ATOM 96 OD1 ASP A 10 6.532 16.950 -4.858 1.00 0.00 O ATOM 97 OD2 ASP A 10 7.464 15.739 -3.278 1.00 0.00 O ATOM 0 H ASP A 10 4.527 17.527 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 10 3.342 14.826 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.702 14.018 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.016 14.918 -5.160 1.00 0.00 H new ATOM 102 N PRO A 11 4.226 14.142 -1.187 1.00 0.00 N ATOM 103 CA PRO A 11 4.519 13.836 0.216 1.00 0.00 C ATOM 104 C PRO A 11 6.006 13.600 0.459 1.00 0.00 C ATOM 105 O PRO A 11 6.655 12.860 -0.280 1.00 0.00 O ATOM 106 CB PRO A 11 3.724 12.555 0.475 1.00 0.00 C ATOM 107 CG PRO A 11 3.584 11.919 -0.865 1.00 0.00 C ATOM 108 CD PRO A 11 3.496 13.049 -1.853 1.00 0.00 C ATOM 0 HA PRO A 11 4.250 14.660 0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.246 11.899 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.750 12.775 0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.437 11.276 -1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.693 11.293 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.951 12.785 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.461 13.323 -2.059 1.00 0.00 H new ATOM 116 N SER A 12 6.540 14.231 1.501 1.00 0.00 N ATOM 117 CA SER A 12 7.951 14.091 1.838 1.00 0.00 C ATOM 118 C SER A 12 8.200 12.796 2.604 1.00 0.00 C ATOM 119 O SER A 12 7.268 12.048 2.905 1.00 0.00 O ATOM 120 CB SER A 12 8.419 15.287 2.670 1.00 0.00 C ATOM 121 OG SER A 12 8.500 16.459 1.877 1.00 0.00 O ATOM 0 H SER A 12 6.016 14.844 2.126 1.00 0.00 H new ATOM 0 HA SER A 12 8.520 14.059 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.729 15.451 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.394 15.071 3.106 1.00 0.00 H new ATOM 0 HG SER A 12 8.799 17.209 2.432 1.00 0.00 H new ATOM 127 N LYS A 13 9.465 12.535 2.919 1.00 0.00 N ATOM 128 CA LYS A 13 9.838 11.332 3.651 1.00 0.00 C ATOM 129 C LYS A 13 9.063 11.228 4.961 1.00 0.00 C ATOM 130 O LYS A 13 8.362 10.245 5.201 1.00 0.00 O ATOM 131 CB LYS A 13 11.343 11.329 3.935 1.00 0.00 C ATOM 132 CG LYS A 13 11.799 10.160 4.791 1.00 0.00 C ATOM 133 CD LYS A 13 13.298 9.942 4.683 1.00 0.00 C ATOM 134 CE LYS A 13 13.699 8.565 5.190 1.00 0.00 C ATOM 135 NZ LYS A 13 14.926 8.060 4.513 1.00 0.00 N ATOM 0 H LYS A 13 10.249 13.142 2.678 1.00 0.00 H new ATOM 0 HA LYS A 13 9.588 10.470 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.883 11.307 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.612 12.260 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.531 10.343 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.276 9.255 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.609 10.053 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.820 10.708 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.870 8.610 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.880 7.865 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.166 7.119 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.755 7.993 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.715 8.714 4.690 1.00 0.00 H new ATOM 149 N GLN A 14 9.193 12.247 5.802 1.00 0.00 N ATOM 150 CA GLN A 14 8.504 12.270 7.087 1.00 0.00 C ATOM 151 C GLN A 14 7.052 11.832 6.932 1.00 0.00 C ATOM 152 O GLN A 14 6.588 10.928 7.629 1.00 0.00 O ATOM 153 CB GLN A 14 8.564 13.672 7.698 1.00 0.00 C ATOM 154 CG GLN A 14 7.943 13.758 9.082 1.00 0.00 C ATOM 155 CD GLN A 14 8.935 13.450 10.187 1.00 0.00 C ATOM 156 OE1 GLN A 14 9.312 12.296 10.394 1.00 0.00 O ATOM 157 NE2 GLN A 14 9.362 14.482 10.904 1.00 0.00 N ATOM 0 H GLN A 14 9.769 13.068 5.617 1.00 0.00 H new ATOM 0 HA GLN A 14 9.007 11.570 7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.605 13.990 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.053 14.371 7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.537 14.758 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.107 13.061 9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.023 15.422 10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.029 14.336 11.661 1.00 0.00 H new ATOM 166 N ASP A 15 6.337 12.477 6.017 1.00 0.00 N ATOM 167 CA ASP A 15 4.937 12.154 5.770 1.00 0.00 C ATOM 168 C ASP A 15 4.778 10.685 5.388 1.00 0.00 C ATOM 169 O ASP A 15 3.968 9.966 5.973 1.00 0.00 O ATOM 170 CB ASP A 15 4.372 13.046 4.664 1.00 0.00 C ATOM 171 CG ASP A 15 4.693 14.512 4.882 1.00 0.00 C ATOM 172 OD1 ASP A 15 3.991 15.158 5.688 1.00 0.00 O ATOM 173 OD2 ASP A 15 5.644 15.013 4.247 1.00 0.00 O ATOM 0 H ASP A 15 6.705 13.228 5.433 1.00 0.00 H new ATOM 0 HA ASP A 15 4.380 12.334 6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.776 12.728 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.291 12.917 4.614 1.00 0.00 H new ATOM 178 N ILE A 16 5.555 10.249 4.402 1.00 0.00 N ATOM 179 CA ILE A 16 5.500 8.867 3.943 1.00 0.00 C ATOM 180 C ILE A 16 5.780 7.896 5.085 1.00 0.00 C ATOM 181 O ILE A 16 5.213 6.803 5.137 1.00 0.00 O ATOM 182 CB ILE A 16 6.509 8.611 2.807 1.00 0.00 C ATOM 183 CG1 ILE A 16 6.178 9.483 1.595 1.00 0.00 C ATOM 184 CG2 ILE A 16 6.511 7.139 2.422 1.00 0.00 C ATOM 185 CD1 ILE A 16 7.324 9.621 0.618 1.00 0.00 C ATOM 0 H ILE A 16 6.229 10.832 3.906 1.00 0.00 H new ATOM 0 HA ILE A 16 4.491 8.699 3.567 1.00 0.00 H new ATOM 0 HB ILE A 16 7.506 8.876 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.318 9.059 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.884 10.474 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.229 6.974 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.790 6.537 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.516 6.850 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.017 10.252 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.178 10.074 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.604 8.636 0.244 1.00 0.00 H new ATOM 197 N LEU A 17 6.654 8.302 5.997 1.00 0.00 N ATOM 198 CA LEU A 17 7.008 7.468 7.142 1.00 0.00 C ATOM 199 C LEU A 17 5.809 7.271 8.064 1.00 0.00 C ATOM 200 O LEU A 17 5.568 6.172 8.562 1.00 0.00 O ATOM 201 CB LEU A 17 8.166 8.098 7.918 1.00 0.00 C ATOM 202 CG LEU A 17 9.535 8.045 7.241 1.00 0.00 C ATOM 203 CD1 LEU A 17 10.578 8.753 8.091 1.00 0.00 C ATOM 204 CD2 LEU A 17 9.946 6.602 6.983 1.00 0.00 C ATOM 0 H LEU A 17 7.131 9.203 5.968 1.00 0.00 H new ATOM 0 HA LEU A 17 7.318 6.492 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.920 9.142 8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.242 7.601 8.885 1.00 0.00 H new ATOM 0 HG LEU A 17 9.466 8.560 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.547 8.705 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.291 9.796 8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.646 8.266 9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.923 6.583 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.998 6.064 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.211 6.125 6.334 1.00 0.00 H new ATOM 216 N THR A 18 5.057 8.345 8.286 1.00 0.00 N ATOM 217 CA THR A 18 3.882 8.292 9.147 1.00 0.00 C ATOM 218 C THR A 18 2.810 7.383 8.557 1.00 0.00 C ATOM 219 O THR A 18 2.411 6.395 9.175 1.00 0.00 O ATOM 220 CB THR A 18 3.285 9.694 9.370 1.00 0.00 C ATOM 221 OG1 THR A 18 4.028 10.387 10.379 1.00 0.00 O ATOM 222 CG2 THR A 18 1.824 9.601 9.783 1.00 0.00 C ATOM 0 H THR A 18 5.241 9.263 7.881 1.00 0.00 H new ATOM 0 HA THR A 18 4.210 7.889 10.105 1.00 0.00 H new ATOM 0 HB THR A 18 3.346 10.245 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.644 11.278 10.514 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.424 10.604 9.935 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.256 9.098 9.000 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.743 9.034 10.710 1.00 0.00 H new ATOM 230 N ILE A 19 2.347 7.723 7.359 1.00 0.00 N ATOM 231 CA ILE A 19 1.320 6.935 6.686 1.00 0.00 C ATOM 232 C ILE A 19 1.584 5.442 6.842 1.00 0.00 C ATOM 233 O ILE A 19 0.656 4.652 7.021 1.00 0.00 O ATOM 234 CB ILE A 19 1.242 7.278 5.187 1.00 0.00 C ATOM 235 CG1 ILE A 19 0.815 8.734 4.996 1.00 0.00 C ATOM 236 CG2 ILE A 19 0.275 6.339 4.479 1.00 0.00 C ATOM 237 CD1 ILE A 19 0.979 9.231 3.576 1.00 0.00 C ATOM 0 H ILE A 19 2.666 8.538 6.834 1.00 0.00 H new ATOM 0 HA ILE A 19 0.369 7.184 7.157 1.00 0.00 H new ATOM 0 HB ILE A 19 2.231 7.149 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.229 8.840 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.400 9.366 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.230 6.594 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.619 5.311 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.717 6.440 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.657 10.271 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.027 9.158 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.372 8.623 2.905 1.00 0.00 H new ATOM 249 N PHE A 20 2.855 5.060 6.774 1.00 0.00 N ATOM 250 CA PHE A 20 3.242 3.660 6.908 1.00 0.00 C ATOM 251 C PHE A 20 3.277 3.245 8.376 1.00 0.00 C ATOM 252 O PHE A 20 2.547 2.348 8.797 1.00 0.00 O ATOM 253 CB PHE A 20 4.609 3.423 6.266 1.00 0.00 C ATOM 254 CG PHE A 20 4.537 3.121 4.796 1.00 0.00 C ATOM 255 CD1 PHE A 20 3.883 1.989 4.339 1.00 0.00 C ATOM 256 CD2 PHE A 20 5.124 3.970 3.872 1.00 0.00 C ATOM 257 CE1 PHE A 20 3.815 1.709 2.988 1.00 0.00 C ATOM 258 CE2 PHE A 20 5.060 3.695 2.518 1.00 0.00 C ATOM 259 CZ PHE A 20 4.404 2.564 2.076 1.00 0.00 C ATOM 0 H PHE A 20 3.635 5.701 6.627 1.00 0.00 H new ATOM 0 HA PHE A 20 2.498 3.052 6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.230 4.306 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.102 2.595 6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.421 1.317 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.638 4.857 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.302 0.823 2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.523 4.364 1.808 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.351 2.348 1.019 1.00 0.00 H new ATOM 269 N LYS A 21 4.134 3.903 9.150 1.00 0.00 N ATOM 270 CA LYS A 21 4.266 3.604 10.571 1.00 0.00 C ATOM 271 C LYS A 21 2.915 3.242 11.180 1.00 0.00 C ATOM 272 O LYS A 21 2.798 2.263 11.916 1.00 0.00 O ATOM 273 CB LYS A 21 4.866 4.802 11.312 1.00 0.00 C ATOM 274 CG LYS A 21 3.826 5.706 11.951 1.00 0.00 C ATOM 275 CD LYS A 21 4.473 6.798 12.786 1.00 0.00 C ATOM 276 CE LYS A 21 3.433 7.739 13.374 1.00 0.00 C ATOM 277 NZ LYS A 21 2.428 7.011 14.197 1.00 0.00 N ATOM 0 H LYS A 21 4.747 4.647 8.817 1.00 0.00 H new ATOM 0 HA LYS A 21 4.933 2.748 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.543 4.438 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.464 5.388 10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.209 6.158 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.163 5.111 12.579 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.053 6.347 13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.170 7.364 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.929 8.491 13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.926 8.270 12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.864 7.695 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.801 6.462 13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.916 6.367 14.852 1.00 0.00 H new ATOM 291 N ARG A 22 1.898 4.036 10.865 1.00 0.00 N ATOM 292 CA ARG A 22 0.554 3.799 11.381 1.00 0.00 C ATOM 293 C ARG A 22 0.100 2.374 11.079 1.00 0.00 C ATOM 294 O ARG A 22 -0.448 1.689 11.943 1.00 0.00 O ATOM 295 CB ARG A 22 -0.432 4.799 10.776 1.00 0.00 C ATOM 296 CG ARG A 22 -1.832 4.704 11.361 1.00 0.00 C ATOM 297 CD ARG A 22 -2.539 6.050 11.336 1.00 0.00 C ATOM 298 NE ARG A 22 -3.820 6.008 12.035 1.00 0.00 N ATOM 299 CZ ARG A 22 -3.945 6.154 13.350 1.00 0.00 C ATOM 300 NH1 ARG A 22 -2.872 6.350 14.104 1.00 0.00 N ATOM 301 NH2 ARG A 22 -5.146 6.103 13.913 1.00 0.00 N ATOM 0 H ARG A 22 1.978 4.849 10.255 1.00 0.00 H new ATOM 0 HA ARG A 22 0.578 3.933 12.462 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.052 5.809 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.486 4.638 9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.414 3.975 10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.775 4.341 12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.900 6.804 11.796 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.700 6.356 10.302 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.665 5.858 11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.947 6.389 13.675 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.971 6.462 15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.974 5.952 13.336 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.241 6.215 14.922 1.00 0.00 H new ATOM 315 N LEU A 23 0.332 1.935 9.846 1.00 0.00 N ATOM 316 CA LEU A 23 -0.054 0.592 9.428 1.00 0.00 C ATOM 317 C LEU A 23 0.912 -0.450 9.983 1.00 0.00 C ATOM 318 O LEU A 23 0.504 -1.541 10.382 1.00 0.00 O ATOM 319 CB LEU A 23 -0.095 0.503 7.902 1.00 0.00 C ATOM 320 CG LEU A 23 -1.065 1.453 7.200 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.922 1.345 5.690 1.00 0.00 C ATOM 322 CD2 LEU A 23 -2.498 1.160 7.623 1.00 0.00 C ATOM 0 H LEU A 23 0.785 2.489 9.119 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.048 0.387 9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.908 0.693 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.354 -0.519 7.625 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.820 2.473 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.621 2.029 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.097 1.604 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.139 0.324 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.175 1.846 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.753 0.134 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.593 1.290 8.701 1.00 0.00 H new ATOM 334 N ARG A 24 2.195 -0.106 10.009 1.00 0.00 N ATOM 335 CA ARG A 24 3.220 -1.010 10.517 1.00 0.00 C ATOM 336 C ARG A 24 2.864 -1.505 11.916 1.00 0.00 C ATOM 337 O ARG A 24 2.897 -2.705 12.188 1.00 0.00 O ATOM 338 CB ARG A 24 4.581 -0.311 10.542 1.00 0.00 C ATOM 339 CG ARG A 24 5.302 -0.334 9.205 1.00 0.00 C ATOM 340 CD ARG A 24 6.394 0.723 9.143 1.00 0.00 C ATOM 341 NE ARG A 24 7.403 0.530 10.181 1.00 0.00 N ATOM 342 CZ ARG A 24 8.565 1.174 10.205 1.00 0.00 C ATOM 343 NH1 ARG A 24 8.862 2.048 9.253 1.00 0.00 N ATOM 344 NH2 ARG A 24 9.432 0.944 11.182 1.00 0.00 N ATOM 0 H ARG A 24 2.550 0.793 9.684 1.00 0.00 H new ATOM 0 HA ARG A 24 3.274 -1.870 9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.442 0.725 10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.211 -0.788 11.293 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.738 -1.320 9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.585 -0.166 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.871 0.694 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.948 1.712 9.251 1.00 0.00 H new ATOM 0 HE ARG A 24 7.205 -0.135 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.198 2.227 8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.755 2.541 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.207 0.272 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.324 1.439 11.199 1.00 0.00 H new ATOM 358 N SER A 25 2.523 -0.571 12.799 1.00 0.00 N ATOM 359 CA SER A 25 2.165 -0.911 14.172 1.00 0.00 C ATOM 360 C SER A 25 1.342 -2.195 14.215 1.00 0.00 C ATOM 361 O SER A 25 1.552 -3.052 15.074 1.00 0.00 O ATOM 362 CB SER A 25 1.380 0.234 14.814 1.00 0.00 C ATOM 363 OG SER A 25 1.555 0.245 16.220 1.00 0.00 O ATOM 0 H SER A 25 2.487 0.426 12.588 1.00 0.00 H new ATOM 0 HA SER A 25 3.085 -1.071 14.734 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.710 1.185 14.396 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.321 0.131 14.577 1.00 0.00 H new ATOM 0 HG SER A 25 1.045 0.987 16.607 1.00 0.00 H new ATOM 369 N VAL A 26 0.405 -2.323 13.282 1.00 0.00 N ATOM 370 CA VAL A 26 -0.451 -3.502 13.213 1.00 0.00 C ATOM 371 C VAL A 26 0.376 -4.767 13.018 1.00 0.00 C ATOM 372 O VAL A 26 1.319 -4.808 12.227 1.00 0.00 O ATOM 373 CB VAL A 26 -1.473 -3.387 12.067 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.590 -4.404 12.244 1.00 0.00 C ATOM 375 CG2 VAL A 26 -2.034 -1.974 11.993 1.00 0.00 C ATOM 0 H VAL A 26 0.219 -1.624 12.562 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.986 -3.563 14.161 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.964 -3.601 11.127 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.303 -4.308 11.425 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.170 -5.410 12.243 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.099 -4.224 13.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.755 -1.911 11.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.528 -1.729 12.933 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.222 -1.269 11.815 1.00 0.00 H new ATOM 385 N PRO A 27 0.013 -5.829 13.753 1.00 0.00 N ATOM 386 CA PRO A 27 0.708 -7.118 13.678 1.00 0.00 C ATOM 387 C PRO A 27 0.464 -7.831 12.352 1.00 0.00 C ATOM 388 O PRO A 27 1.331 -8.549 11.852 1.00 0.00 O ATOM 389 CB PRO A 27 0.100 -7.916 14.834 1.00 0.00 C ATOM 390 CG PRO A 27 -1.245 -7.313 15.045 1.00 0.00 C ATOM 391 CD PRO A 27 -1.101 -5.853 14.715 1.00 0.00 C ATOM 0 HA PRO A 27 1.790 -7.003 13.744 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.025 -8.975 14.587 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.713 -7.841 15.732 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.990 -7.786 14.405 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.577 -7.450 16.074 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.015 -5.447 14.282 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.878 -5.260 15.602 1.00 0.00 H new ATOM 399 N THR A 28 -0.722 -7.629 11.786 1.00 0.00 N ATOM 400 CA THR A 28 -1.079 -8.253 10.518 1.00 0.00 C ATOM 401 C THR A 28 -0.531 -7.458 9.340 1.00 0.00 C ATOM 402 O THR A 28 -0.627 -7.886 8.191 1.00 0.00 O ATOM 403 CB THR A 28 -2.607 -8.383 10.368 1.00 0.00 C ATOM 404 OG1 THR A 28 -3.197 -7.088 10.218 1.00 0.00 O ATOM 405 CG2 THR A 28 -3.211 -9.085 11.576 1.00 0.00 C ATOM 0 H THR A 28 -1.451 -7.038 12.186 1.00 0.00 H new ATOM 0 HA THR A 28 -0.634 -9.248 10.519 1.00 0.00 H new ATOM 0 HB THR A 28 -2.813 -8.980 9.480 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.168 -7.180 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.290 -9.165 11.448 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.781 -10.082 11.670 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.994 -8.511 12.477 1.00 0.00 H new ATOM 413 N ASN A 29 0.046 -6.296 9.632 1.00 0.00 N ATOM 414 CA ASN A 29 0.610 -5.440 8.595 1.00 0.00 C ATOM 415 C ASN A 29 2.135 -5.479 8.628 1.00 0.00 C ATOM 416 O ASN A 29 2.793 -5.344 7.597 1.00 0.00 O ATOM 417 CB ASN A 29 0.122 -4.001 8.771 1.00 0.00 C ATOM 418 CG ASN A 29 -1.388 -3.888 8.684 1.00 0.00 C ATOM 419 OD1 ASN A 29 -2.076 -4.855 8.356 1.00 0.00 O ATOM 420 ND2 ASN A 29 -1.909 -2.703 8.978 1.00 0.00 N ATOM 0 H ASN A 29 0.135 -5.926 10.578 1.00 0.00 H new ATOM 0 HA ASN A 29 0.275 -5.814 7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.457 -3.622 9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.576 -3.370 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.919 -2.566 8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.299 -1.930 9.245 1.00 0.00 H new ATOM 427 N LYS A 30 2.691 -5.667 9.820 1.00 0.00 N ATOM 428 CA LYS A 30 4.138 -5.726 9.990 1.00 0.00 C ATOM 429 C LYS A 30 4.680 -7.087 9.564 1.00 0.00 C ATOM 430 O LYS A 30 5.838 -7.415 9.826 1.00 0.00 O ATOM 431 CB LYS A 30 4.514 -5.448 11.447 1.00 0.00 C ATOM 432 CG LYS A 30 4.022 -6.510 12.415 1.00 0.00 C ATOM 433 CD LYS A 30 4.333 -6.140 13.855 1.00 0.00 C ATOM 434 CE LYS A 30 3.857 -4.732 14.183 1.00 0.00 C ATOM 435 NZ LYS A 30 3.752 -4.511 15.653 1.00 0.00 N ATOM 0 H LYS A 30 2.161 -5.781 10.684 1.00 0.00 H new ATOM 0 HA LYS A 30 4.585 -4.961 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.598 -5.371 11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.104 -4.482 11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.946 -6.641 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.488 -7.466 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.855 -6.853 14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.407 -6.212 14.027 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.548 -4.006 13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.886 -4.560 13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.926 -3.912 15.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.643 -5.426 16.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.614 -4.040 15.996 1.00 0.00 H new ATOM 449 N VAL A 31 3.836 -7.877 8.907 1.00 0.00 N ATOM 450 CA VAL A 31 4.231 -9.201 8.443 1.00 0.00 C ATOM 451 C VAL A 31 3.793 -9.432 7.002 1.00 0.00 C ATOM 452 O VAL A 31 2.618 -9.280 6.667 1.00 0.00 O ATOM 453 CB VAL A 31 3.636 -10.307 9.333 1.00 0.00 C ATOM 454 CG1 VAL A 31 4.207 -10.226 10.741 1.00 0.00 C ATOM 455 CG2 VAL A 31 2.117 -10.212 9.359 1.00 0.00 C ATOM 0 H VAL A 31 2.874 -7.622 8.684 1.00 0.00 H new ATOM 0 HA VAL A 31 5.319 -9.245 8.500 1.00 0.00 H new ATOM 0 HB VAL A 31 3.910 -11.274 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.774 -11.016 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.289 -10.348 10.702 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.967 -9.256 11.176 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.714 -11.002 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.820 -9.241 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.728 -10.325 8.347 1.00 0.00 H new ATOM 465 N CYS A 32 4.745 -9.800 6.151 1.00 0.00 N ATOM 466 CA CYS A 32 4.459 -10.053 4.744 1.00 0.00 C ATOM 467 C CYS A 32 3.185 -10.878 4.588 1.00 0.00 C ATOM 468 O CYS A 32 3.151 -12.059 4.938 1.00 0.00 O ATOM 469 CB CYS A 32 5.634 -10.778 4.086 1.00 0.00 C ATOM 470 SG CYS A 32 5.265 -11.436 2.427 1.00 0.00 S ATOM 0 H CYS A 32 5.722 -9.930 6.412 1.00 0.00 H new ATOM 0 HA CYS A 32 4.311 -9.093 4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.477 -10.091 4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.947 -11.600 4.730 1.00 0.00 H new ATOM 475 N PHE A 33 2.140 -10.250 4.061 1.00 0.00 N ATOM 476 CA PHE A 33 0.863 -10.926 3.859 1.00 0.00 C ATOM 477 C PHE A 33 1.066 -12.285 3.196 1.00 0.00 C ATOM 478 O PHE A 33 0.279 -13.210 3.398 1.00 0.00 O ATOM 479 CB PHE A 33 -0.065 -10.061 3.004 1.00 0.00 C ATOM 480 CG PHE A 33 -0.997 -10.860 2.136 1.00 0.00 C ATOM 481 CD1 PHE A 33 -0.535 -11.470 0.981 1.00 0.00 C ATOM 482 CD2 PHE A 33 -2.332 -10.998 2.476 1.00 0.00 C ATOM 483 CE1 PHE A 33 -1.389 -12.205 0.180 1.00 0.00 C ATOM 484 CE2 PHE A 33 -3.191 -11.733 1.679 1.00 0.00 C ATOM 485 CZ PHE A 33 -2.719 -12.336 0.530 1.00 0.00 C ATOM 0 H PHE A 33 2.152 -9.274 3.766 1.00 0.00 H new ATOM 0 HA PHE A 33 0.404 -11.084 4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.653 -9.416 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.538 -9.409 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.504 -11.370 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.707 -10.527 3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.017 -12.676 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.230 -11.835 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.389 -12.909 -0.094 1.00 0.00 H new ATOM 495 N ASP A 34 2.126 -12.397 2.403 1.00 0.00 N ATOM 496 CA ASP A 34 2.433 -13.642 1.710 1.00 0.00 C ATOM 497 C ASP A 34 2.871 -14.720 2.697 1.00 0.00 C ATOM 498 O ASP A 34 2.141 -15.678 2.951 1.00 0.00 O ATOM 499 CB ASP A 34 3.528 -13.413 0.666 1.00 0.00 C ATOM 500 CG ASP A 34 3.398 -14.344 -0.523 1.00 0.00 C ATOM 501 OD1 ASP A 34 3.518 -15.571 -0.332 1.00 0.00 O ATOM 502 OD2 ASP A 34 3.177 -13.844 -1.647 1.00 0.00 O ATOM 0 H ASP A 34 2.787 -11.641 2.224 1.00 0.00 H new ATOM 0 HA ASP A 34 1.528 -13.982 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.487 -12.380 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.504 -13.555 1.130 1.00 0.00 H new ATOM 507 N CYS A 35 4.069 -14.558 3.249 1.00 0.00 N ATOM 508 CA CYS A 35 4.606 -15.516 4.207 1.00 0.00 C ATOM 509 C CYS A 35 4.375 -15.042 5.639 1.00 0.00 C ATOM 510 O CYS A 35 3.926 -15.806 6.493 1.00 0.00 O ATOM 511 CB CYS A 35 6.102 -15.729 3.964 1.00 0.00 C ATOM 512 SG CYS A 35 7.087 -14.198 4.006 1.00 0.00 S ATOM 0 H CYS A 35 4.687 -13.771 3.049 1.00 0.00 H new ATOM 0 HA CYS A 35 4.083 -16.462 4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.487 -16.417 4.717 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.237 -16.209 2.995 1.00 0.00 H new ATOM 517 N GLY A 36 4.686 -13.775 5.894 1.00 0.00 N ATOM 518 CA GLY A 36 4.506 -13.220 7.224 1.00 0.00 C ATOM 519 C GLY A 36 5.796 -12.674 7.803 1.00 0.00 C ATOM 520 O GLY A 36 5.876 -12.390 8.999 1.00 0.00 O ATOM 0 H GLY A 36 5.059 -13.123 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.763 -12.423 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.112 -13.991 7.886 1.00 0.00 H new ATOM 524 N ALA A 37 6.809 -12.526 6.955 1.00 0.00 N ATOM 525 CA ALA A 37 8.101 -12.010 7.390 1.00 0.00 C ATOM 526 C ALA A 37 7.943 -10.680 8.119 1.00 0.00 C ATOM 527 O ALA A 37 7.312 -9.753 7.611 1.00 0.00 O ATOM 528 CB ALA A 37 9.035 -11.855 6.199 1.00 0.00 C ATOM 0 H ALA A 37 6.759 -12.756 5.963 1.00 0.00 H new ATOM 0 HA ALA A 37 8.536 -12.727 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.996 -11.469 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.181 -12.824 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.598 -11.160 5.482 1.00 0.00 H new ATOM 534 N LYS A 38 8.520 -10.593 9.313 1.00 0.00 N ATOM 535 CA LYS A 38 8.445 -9.375 10.112 1.00 0.00 C ATOM 536 C LYS A 38 9.238 -8.246 9.461 1.00 0.00 C ATOM 537 O LYS A 38 10.300 -8.474 8.884 1.00 0.00 O ATOM 538 CB LYS A 38 8.974 -9.636 11.525 1.00 0.00 C ATOM 539 CG LYS A 38 8.182 -10.682 12.287 1.00 0.00 C ATOM 540 CD LYS A 38 8.225 -10.433 13.786 1.00 0.00 C ATOM 541 CE LYS A 38 7.327 -11.401 14.539 1.00 0.00 C ATOM 542 NZ LYS A 38 5.928 -10.901 14.633 1.00 0.00 N ATOM 0 H LYS A 38 9.045 -11.351 9.749 1.00 0.00 H new ATOM 0 HA LYS A 38 7.400 -9.072 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.014 -9.955 11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.961 -8.702 12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.147 -10.675 11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.583 -11.672 12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.250 -10.534 14.143 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.914 -9.409 13.995 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.334 -12.368 14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.724 -11.560 15.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.348 -11.589 15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.918 -9.990 15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.540 -10.774 13.677 1.00 0.00 H new ATOM 556 N ASN A 39 8.714 -7.029 9.559 1.00 0.00 N ATOM 557 CA ASN A 39 9.373 -5.865 8.979 1.00 0.00 C ATOM 558 C ASN A 39 9.496 -6.006 7.465 1.00 0.00 C ATOM 559 O ASN A 39 10.573 -5.854 6.887 1.00 0.00 O ATOM 560 CB ASN A 39 10.761 -5.678 9.598 1.00 0.00 C ATOM 561 CG ASN A 39 10.708 -4.936 10.921 1.00 0.00 C ATOM 562 OD1 ASN A 39 11.036 -5.491 11.970 1.00 0.00 O ATOM 563 ND2 ASN A 39 10.292 -3.676 10.876 1.00 0.00 N ATOM 0 H ASN A 39 7.835 -6.823 10.034 1.00 0.00 H new ATOM 0 HA ASN A 39 8.763 -4.988 9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.223 -6.654 9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.396 -5.130 8.902 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.234 -3.127 11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.030 -3.257 9.984 1.00 0.00 H new ATOM 570 N PRO A 40 8.366 -6.303 6.805 1.00 0.00 N ATOM 571 CA PRO A 40 8.321 -6.469 5.350 1.00 0.00 C ATOM 572 C PRO A 40 8.523 -5.153 4.608 1.00 0.00 C ATOM 573 O PRO A 40 7.562 -4.530 4.155 1.00 0.00 O ATOM 574 CB PRO A 40 6.911 -7.013 5.099 1.00 0.00 C ATOM 575 CG PRO A 40 6.107 -6.527 6.256 1.00 0.00 C ATOM 576 CD PRO A 40 7.047 -6.497 7.429 1.00 0.00 C ATOM 0 HA PRO A 40 9.116 -7.122 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.508 -6.647 4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.910 -8.102 5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.698 -5.536 6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.262 -7.188 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.805 -5.687 8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.006 -7.424 8.001 1.00 0.00 H new ATOM 584 N SER A 41 9.779 -4.734 4.488 1.00 0.00 N ATOM 585 CA SER A 41 10.108 -3.489 3.803 1.00 0.00 C ATOM 586 C SER A 41 9.259 -3.319 2.547 1.00 0.00 C ATOM 587 O SER A 41 8.435 -2.409 2.460 1.00 0.00 O ATOM 588 CB SER A 41 11.593 -3.460 3.438 1.00 0.00 C ATOM 589 OG SER A 41 11.973 -4.640 2.754 1.00 0.00 O ATOM 0 H SER A 41 10.585 -5.238 4.856 1.00 0.00 H new ATOM 0 HA SER A 41 9.892 -2.662 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.800 -2.591 2.813 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.191 -3.352 4.343 1.00 0.00 H new ATOM 0 HG SER A 41 12.926 -4.596 2.530 1.00 0.00 H new ATOM 595 N TRP A 42 9.467 -4.201 1.577 1.00 0.00 N ATOM 596 CA TRP A 42 8.723 -4.151 0.324 1.00 0.00 C ATOM 597 C TRP A 42 7.222 -4.071 0.586 1.00 0.00 C ATOM 598 O TRP A 42 6.720 -4.654 1.547 1.00 0.00 O ATOM 599 CB TRP A 42 9.039 -5.378 -0.533 1.00 0.00 C ATOM 600 CG TRP A 42 10.487 -5.484 -0.904 1.00 0.00 C ATOM 601 CD1 TRP A 42 11.483 -6.057 -0.167 1.00 0.00 C ATOM 602 CD2 TRP A 42 11.101 -5.003 -2.105 1.00 0.00 C ATOM 603 NE1 TRP A 42 12.679 -5.961 -0.837 1.00 0.00 N ATOM 604 CE2 TRP A 42 12.472 -5.319 -2.028 1.00 0.00 C ATOM 605 CE3 TRP A 42 10.626 -4.337 -3.238 1.00 0.00 C ATOM 606 CZ2 TRP A 42 13.369 -4.992 -3.041 1.00 0.00 C ATOM 607 CZ3 TRP A 42 11.518 -4.012 -4.243 1.00 0.00 C ATOM 608 CH2 TRP A 42 12.876 -4.340 -4.139 1.00 0.00 C ATOM 0 H TRP A 42 10.146 -4.960 1.634 1.00 0.00 H new ATOM 0 HA TRP A 42 9.028 -3.254 -0.215 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.743 -6.277 0.008 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.440 -5.342 -1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.351 -6.518 0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.576 -6.312 -0.501 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.581 -4.081 -3.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 14.416 -5.244 -2.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 11.162 -3.497 -5.123 1.00 0.00 H new ATOM 0 HH2 TRP A 42 13.548 -4.073 -4.941 1.00 0.00 H new ATOM 619 N ALA A 43 6.513 -3.348 -0.274 1.00 0.00 N ATOM 620 CA ALA A 43 5.070 -3.196 -0.136 1.00 0.00 C ATOM 621 C ALA A 43 4.408 -2.986 -1.494 1.00 0.00 C ATOM 622 O ALA A 43 4.765 -2.071 -2.235 1.00 0.00 O ATOM 623 CB ALA A 43 4.749 -2.036 0.794 1.00 0.00 C ATOM 0 H ALA A 43 6.914 -2.858 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 43 4.672 -4.115 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.668 -1.934 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.182 -2.226 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.166 -1.116 0.385 1.00 0.00 H new ATOM 629 N SER A 44 3.442 -3.842 -1.815 1.00 0.00 N ATOM 630 CA SER A 44 2.734 -3.754 -3.086 1.00 0.00 C ATOM 631 C SER A 44 1.602 -2.733 -3.007 1.00 0.00 C ATOM 632 O SER A 44 0.680 -2.872 -2.203 1.00 0.00 O ATOM 633 CB SER A 44 2.174 -5.122 -3.478 1.00 0.00 C ATOM 634 OG SER A 44 1.122 -4.992 -4.419 1.00 0.00 O ATOM 0 H SER A 44 3.132 -4.604 -1.212 1.00 0.00 H new ATOM 0 HA SER A 44 3.443 -3.428 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.969 -5.737 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.810 -5.638 -2.589 1.00 0.00 H new ATOM 0 HG SER A 44 1.297 -5.574 -5.188 1.00 0.00 H new ATOM 640 N ILE A 45 1.681 -1.706 -3.847 1.00 0.00 N ATOM 641 CA ILE A 45 0.663 -0.662 -3.874 1.00 0.00 C ATOM 642 C ILE A 45 -0.590 -1.135 -4.602 1.00 0.00 C ATOM 643 O ILE A 45 -1.708 -0.950 -4.120 1.00 0.00 O ATOM 644 CB ILE A 45 1.187 0.617 -4.554 1.00 0.00 C ATOM 645 CG1 ILE A 45 2.462 1.104 -3.861 1.00 0.00 C ATOM 646 CG2 ILE A 45 0.120 1.701 -4.535 1.00 0.00 C ATOM 647 CD1 ILE A 45 3.362 1.924 -4.759 1.00 0.00 C ATOM 0 H ILE A 45 2.439 -1.574 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 45 0.414 -0.437 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 45 1.426 0.387 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.188 1.702 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.018 0.242 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.505 2.599 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.764 1.351 -5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.147 1.931 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.246 2.235 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.666 1.323 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.823 2.805 -5.107 1.00 0.00 H new ATOM 659 N THR A 46 -0.397 -1.747 -5.766 1.00 0.00 N ATOM 660 CA THR A 46 -1.511 -2.248 -6.561 1.00 0.00 C ATOM 661 C THR A 46 -2.454 -3.095 -5.714 1.00 0.00 C ATOM 662 O THR A 46 -3.674 -2.987 -5.831 1.00 0.00 O ATOM 663 CB THR A 46 -1.018 -3.086 -7.755 1.00 0.00 C ATOM 664 OG1 THR A 46 -0.348 -2.245 -8.701 1.00 0.00 O ATOM 665 CG2 THR A 46 -2.178 -3.797 -8.434 1.00 0.00 C ATOM 0 H THR A 46 0.522 -1.908 -6.179 1.00 0.00 H new ATOM 0 HA THR A 46 -2.048 -1.377 -6.936 1.00 0.00 H new ATOM 0 HB THR A 46 -0.322 -3.837 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.192 -2.744 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.804 -4.382 -9.274 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.667 -4.459 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.895 -3.060 -8.796 1.00 0.00 H new ATOM 673 N TYR A 47 -1.880 -3.937 -4.862 1.00 0.00 N ATOM 674 CA TYR A 47 -2.670 -4.805 -3.997 1.00 0.00 C ATOM 675 C TYR A 47 -2.658 -4.296 -2.558 1.00 0.00 C ATOM 676 O TYR A 47 -3.067 -4.999 -1.636 1.00 0.00 O ATOM 677 CB TYR A 47 -2.133 -6.236 -4.048 1.00 0.00 C ATOM 678 CG TYR A 47 -2.307 -6.900 -5.395 1.00 0.00 C ATOM 679 CD1 TYR A 47 -1.476 -6.579 -6.461 1.00 0.00 C ATOM 680 CD2 TYR A 47 -3.302 -7.847 -5.602 1.00 0.00 C ATOM 681 CE1 TYR A 47 -1.631 -7.183 -7.695 1.00 0.00 C ATOM 682 CE2 TYR A 47 -3.463 -8.456 -6.831 1.00 0.00 C ATOM 683 CZ TYR A 47 -2.625 -8.120 -7.875 1.00 0.00 C ATOM 684 OH TYR A 47 -2.784 -8.724 -9.101 1.00 0.00 O ATOM 0 H TYR A 47 -0.871 -4.037 -4.752 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.698 -4.797 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.074 -6.227 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.640 -6.833 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.696 -5.845 -6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.961 -8.111 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.976 -6.922 -8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.241 -9.191 -6.974 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.502 -8.107 -9.809 1.00 0.00 H new ATOM 694 N GLY A 48 -2.185 -3.067 -2.376 1.00 0.00 N ATOM 695 CA GLY A 48 -2.129 -2.483 -1.048 1.00 0.00 C ATOM 696 C GLY A 48 -1.803 -3.506 0.021 1.00 0.00 C ATOM 697 O GLY A 48 -2.536 -3.647 1.000 1.00 0.00 O ATOM 0 H GLY A 48 -1.840 -2.465 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.377 -1.694 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.087 -2.015 -0.819 1.00 0.00 H new ATOM 701 N VAL A 49 -0.699 -4.223 -0.166 1.00 0.00 N ATOM 702 CA VAL A 49 -0.277 -5.240 0.791 1.00 0.00 C ATOM 703 C VAL A 49 1.233 -5.203 1.001 1.00 0.00 C ATOM 704 O VAL A 49 1.977 -4.717 0.150 1.00 0.00 O ATOM 705 CB VAL A 49 -0.686 -6.650 0.328 1.00 0.00 C ATOM 706 CG1 VAL A 49 -2.195 -6.823 0.412 1.00 0.00 C ATOM 707 CG2 VAL A 49 -0.189 -6.912 -1.086 1.00 0.00 C ATOM 0 H VAL A 49 -0.081 -4.119 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.778 -5.016 1.733 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.223 -7.380 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.465 -7.826 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.521 -6.681 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.682 -6.086 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.487 -7.913 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.621 -6.177 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.898 -6.833 -1.110 1.00 0.00 H new ATOM 717 N PHE A 50 1.678 -5.722 2.141 1.00 0.00 N ATOM 718 CA PHE A 50 3.101 -5.749 2.463 1.00 0.00 C ATOM 719 C PHE A 50 3.736 -7.058 2.007 1.00 0.00 C ATOM 720 O PHE A 50 3.122 -8.122 2.089 1.00 0.00 O ATOM 721 CB PHE A 50 3.307 -5.565 3.968 1.00 0.00 C ATOM 722 CG PHE A 50 3.142 -4.144 4.427 1.00 0.00 C ATOM 723 CD1 PHE A 50 4.142 -3.211 4.208 1.00 0.00 C ATOM 724 CD2 PHE A 50 1.986 -3.742 5.078 1.00 0.00 C ATOM 725 CE1 PHE A 50 3.994 -1.903 4.628 1.00 0.00 C ATOM 726 CE2 PHE A 50 1.832 -2.435 5.500 1.00 0.00 C ATOM 727 CZ PHE A 50 2.838 -1.515 5.276 1.00 0.00 C ATOM 0 H PHE A 50 1.075 -6.129 2.856 1.00 0.00 H new ATOM 0 HA PHE A 50 3.585 -4.928 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.598 -6.196 4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.306 -5.911 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.049 -3.510 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.197 -4.458 5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.781 -1.185 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.926 -2.133 6.004 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.720 -0.494 5.607 1.00 0.00 H new ATOM 737 N LEU A 51 4.973 -6.972 1.527 1.00 0.00 N ATOM 738 CA LEU A 51 5.695 -8.150 1.057 1.00 0.00 C ATOM 739 C LEU A 51 7.155 -8.103 1.492 1.00 0.00 C ATOM 740 O LEU A 51 7.640 -7.075 1.968 1.00 0.00 O ATOM 741 CB LEU A 51 5.607 -8.251 -0.467 1.00 0.00 C ATOM 742 CG LEU A 51 4.200 -8.199 -1.064 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.263 -7.915 -2.557 1.00 0.00 C ATOM 744 CD2 LEU A 51 3.460 -9.502 -0.798 1.00 0.00 C ATOM 0 H LEU A 51 5.496 -6.099 1.453 1.00 0.00 H new ATOM 0 HA LEU A 51 5.232 -9.031 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.193 -7.440 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.077 -9.184 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 51 3.652 -7.388 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.252 -7.882 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.753 -6.956 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.828 -8.703 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.461 -9.448 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.006 -10.330 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.382 -9.663 0.277 1.00 0.00 H new ATOM 756 N CYS A 52 7.853 -9.220 1.323 1.00 0.00 N ATOM 757 CA CYS A 52 9.261 -9.308 1.696 1.00 0.00 C ATOM 758 C CYS A 52 10.140 -9.499 0.463 1.00 0.00 C ATOM 759 O CYS A 52 9.732 -10.135 -0.509 1.00 0.00 O ATOM 760 CB CYS A 52 9.479 -10.462 2.676 1.00 0.00 C ATOM 761 SG CYS A 52 9.188 -12.111 1.959 1.00 0.00 S ATOM 0 H CYS A 52 7.467 -10.078 0.930 1.00 0.00 H new ATOM 0 HA CYS A 52 9.542 -8.372 2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.501 -10.417 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.817 -10.328 3.532 1.00 0.00 H new ATOM 766 N ILE A 53 11.346 -8.944 0.512 1.00 0.00 N ATOM 767 CA ILE A 53 12.283 -9.055 -0.599 1.00 0.00 C ATOM 768 C ILE A 53 12.113 -10.383 -1.331 1.00 0.00 C ATOM 769 O ILE A 53 12.162 -10.436 -2.560 1.00 0.00 O ATOM 770 CB ILE A 53 13.741 -8.929 -0.121 1.00 0.00 C ATOM 771 CG1 ILE A 53 14.701 -9.032 -1.308 1.00 0.00 C ATOM 772 CG2 ILE A 53 14.054 -9.998 0.915 1.00 0.00 C ATOM 773 CD1 ILE A 53 14.990 -7.702 -1.970 1.00 0.00 C ATOM 0 H ILE A 53 11.697 -8.413 1.309 1.00 0.00 H new ATOM 0 HA ILE A 53 12.061 -8.235 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 53 13.872 -7.952 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.639 -9.471 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.279 -9.713 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.088 -9.895 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.389 -9.881 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.909 -10.985 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.677 -7.852 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.060 -7.270 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 53 15.441 -7.025 -1.245 1.00 0.00 H new ATOM 785 N ASP A 54 11.911 -11.451 -0.567 1.00 0.00 N ATOM 786 CA ASP A 54 11.730 -12.778 -1.143 1.00 0.00 C ATOM 787 C ASP A 54 10.493 -12.821 -2.035 1.00 0.00 C ATOM 788 O ASP A 54 10.599 -12.926 -3.257 1.00 0.00 O ATOM 789 CB ASP A 54 11.612 -13.827 -0.035 1.00 0.00 C ATOM 790 CG ASP A 54 11.973 -15.219 -0.514 1.00 0.00 C ATOM 791 OD1 ASP A 54 11.195 -15.795 -1.303 1.00 0.00 O ATOM 792 OD2 ASP A 54 13.032 -15.734 -0.099 1.00 0.00 O ATOM 0 H ASP A 54 11.869 -11.424 0.452 1.00 0.00 H new ATOM 0 HA ASP A 54 12.604 -13.003 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.264 -13.551 0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.592 -13.832 0.350 1.00 0.00 H new ATOM 797 N CYS A 55 9.321 -12.740 -1.415 1.00 0.00 N ATOM 798 CA CYS A 55 8.063 -12.770 -2.150 1.00 0.00 C ATOM 799 C CYS A 55 8.000 -11.636 -3.170 1.00 0.00 C ATOM 800 O CYS A 55 7.802 -11.869 -4.361 1.00 0.00 O ATOM 801 CB CYS A 55 6.881 -12.667 -1.185 1.00 0.00 C ATOM 802 SG CYS A 55 6.780 -14.035 0.016 1.00 0.00 S ATOM 0 H CYS A 55 9.216 -12.653 -0.404 1.00 0.00 H new ATOM 0 HA CYS A 55 8.007 -13.719 -2.684 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.951 -11.725 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.957 -12.635 -1.762 1.00 0.00 H new ATOM 807 N SER A 56 8.173 -10.408 -2.691 1.00 0.00 N ATOM 808 CA SER A 56 8.133 -9.237 -3.559 1.00 0.00 C ATOM 809 C SER A 56 8.702 -9.563 -4.937 1.00 0.00 C ATOM 810 O SER A 56 8.250 -9.030 -5.949 1.00 0.00 O ATOM 811 CB SER A 56 8.918 -8.083 -2.931 1.00 0.00 C ATOM 812 OG SER A 56 10.245 -8.476 -2.624 1.00 0.00 O ATOM 0 H SER A 56 8.342 -10.198 -1.707 1.00 0.00 H new ATOM 0 HA SER A 56 7.092 -8.937 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.936 -7.236 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.415 -7.748 -2.024 1.00 0.00 H new ATOM 0 HG SER A 56 10.365 -9.424 -2.844 1.00 0.00 H new ATOM 818 N GLY A 57 9.698 -10.443 -4.966 1.00 0.00 N ATOM 819 CA GLY A 57 10.313 -10.825 -6.224 1.00 0.00 C ATOM 820 C GLY A 57 9.313 -11.401 -7.206 1.00 0.00 C ATOM 821 O GLY A 57 9.276 -11.003 -8.371 1.00 0.00 O ATOM 0 H GLY A 57 10.090 -10.898 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.794 -9.954 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.096 -11.559 -6.034 1.00 0.00 H new ATOM 825 N SER A 58 8.501 -12.344 -6.739 1.00 0.00 N ATOM 826 CA SER A 58 7.500 -12.980 -7.586 1.00 0.00 C ATOM 827 C SER A 58 6.637 -11.935 -8.287 1.00 0.00 C ATOM 828 O SER A 58 6.404 -12.013 -9.493 1.00 0.00 O ATOM 829 CB SER A 58 6.616 -13.914 -6.757 1.00 0.00 C ATOM 830 OG SER A 58 6.172 -15.016 -7.528 1.00 0.00 O ATOM 0 H SER A 58 8.517 -12.684 -5.778 1.00 0.00 H new ATOM 0 HA SER A 58 8.022 -13.564 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.173 -14.273 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.756 -13.363 -6.377 1.00 0.00 H new ATOM 0 HG SER A 58 5.894 -15.742 -6.931 1.00 0.00 H new ATOM 836 N HIS A 59 6.167 -10.955 -7.521 1.00 0.00 N ATOM 837 CA HIS A 59 5.330 -9.893 -8.067 1.00 0.00 C ATOM 838 C HIS A 59 6.059 -9.145 -9.179 1.00 0.00 C ATOM 839 O HIS A 59 5.504 -8.915 -10.254 1.00 0.00 O ATOM 840 CB HIS A 59 4.921 -8.918 -6.962 1.00 0.00 C ATOM 841 CG HIS A 59 3.768 -9.397 -6.136 1.00 0.00 C ATOM 842 ND1 HIS A 59 2.512 -8.833 -6.199 1.00 0.00 N ATOM 843 CD2 HIS A 59 3.686 -10.395 -5.226 1.00 0.00 C ATOM 844 CE1 HIS A 59 1.707 -9.462 -5.362 1.00 0.00 C ATOM 845 NE2 HIS A 59 2.395 -10.414 -4.758 1.00 0.00 N ATOM 0 H HIS A 59 6.352 -10.875 -6.521 1.00 0.00 H new ATOM 0 HA HIS A 59 4.434 -10.349 -8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.776 -8.742 -6.309 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.661 -7.960 -7.412 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.246 -8.052 -6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.487 -11.054 -4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.663 -9.236 -5.199 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.027 -11.058 -4.058 1.00 0.00 H new ATOM 853 N ARG A 60 7.305 -8.766 -8.913 1.00 0.00 N ATOM 854 CA ARG A 60 8.109 -8.042 -9.890 1.00 0.00 C ATOM 855 C ARG A 60 8.154 -8.791 -11.218 1.00 0.00 C ATOM 856 O ARG A 60 8.117 -8.182 -12.287 1.00 0.00 O ATOM 857 CB ARG A 60 9.528 -7.834 -9.360 1.00 0.00 C ATOM 858 CG ARG A 60 9.625 -6.774 -8.275 1.00 0.00 C ATOM 859 CD ARG A 60 11.061 -6.568 -7.822 1.00 0.00 C ATOM 860 NE ARG A 60 11.773 -5.619 -8.674 1.00 0.00 N ATOM 861 CZ ARG A 60 11.539 -4.311 -8.671 1.00 0.00 C ATOM 862 NH1 ARG A 60 10.617 -3.800 -7.867 1.00 0.00 N ATOM 863 NH2 ARG A 60 12.229 -3.511 -9.474 1.00 0.00 N ATOM 0 H ARG A 60 7.779 -8.949 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 60 7.645 -7.070 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.902 -8.779 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.179 -7.554 -10.189 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.222 -5.833 -8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.012 -7.068 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.068 -6.208 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.584 -7.524 -7.829 1.00 0.00 H new ATOM 0 HE ARG A 60 12.488 -5.980 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.085 -4.411 -7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.440 -2.795 -7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.939 -3.900 -10.094 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.049 -2.507 -9.471 1.00 0.00 H new ATOM 877 N SER A 61 8.238 -10.115 -11.142 1.00 0.00 N ATOM 878 CA SER A 61 8.293 -10.948 -12.338 1.00 0.00 C ATOM 879 C SER A 61 7.037 -10.767 -13.185 1.00 0.00 C ATOM 880 O SER A 61 7.115 -10.576 -14.400 1.00 0.00 O ATOM 881 CB SER A 61 8.454 -12.420 -11.954 1.00 0.00 C ATOM 882 OG SER A 61 9.727 -12.660 -11.379 1.00 0.00 O ATOM 0 H SER A 61 8.269 -10.634 -10.265 1.00 0.00 H new ATOM 0 HA SER A 61 9.156 -10.637 -12.927 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.673 -12.703 -11.248 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.326 -13.046 -12.837 1.00 0.00 H new ATOM 0 HG SER A 61 9.805 -13.607 -11.141 1.00 0.00 H new ATOM 888 N LEU A 62 5.880 -10.827 -12.536 1.00 0.00 N ATOM 889 CA LEU A 62 4.605 -10.670 -13.228 1.00 0.00 C ATOM 890 C LEU A 62 4.623 -9.440 -14.129 1.00 0.00 C ATOM 891 O LEU A 62 4.371 -9.534 -15.330 1.00 0.00 O ATOM 892 CB LEU A 62 3.463 -10.558 -12.216 1.00 0.00 C ATOM 893 CG LEU A 62 3.351 -11.697 -11.202 1.00 0.00 C ATOM 894 CD1 LEU A 62 2.565 -11.249 -9.980 1.00 0.00 C ATOM 895 CD2 LEU A 62 2.699 -12.916 -11.839 1.00 0.00 C ATOM 0 H LEU A 62 5.798 -10.983 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 62 4.446 -11.551 -13.850 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.579 -9.622 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.523 -10.493 -12.764 1.00 0.00 H new ATOM 0 HG LEU A 62 4.356 -11.972 -10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.496 -12.073 -9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.072 -10.406 -9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.563 -10.946 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.627 -13.717 -11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.700 -12.654 -12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.302 -13.252 -12.683 1.00 0.00 H new ATOM 907 N GLY A 63 4.925 -8.286 -13.542 1.00 0.00 N ATOM 908 CA GLY A 63 4.973 -7.054 -14.308 1.00 0.00 C ATOM 909 C GLY A 63 4.411 -5.873 -13.541 1.00 0.00 C ATOM 910 O GLY A 63 3.277 -5.915 -13.065 1.00 0.00 O ATOM 0 H GLY A 63 5.137 -8.182 -12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.005 -6.844 -14.588 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.412 -7.183 -15.233 1.00 0.00 H new ATOM 914 N VAL A 64 5.207 -4.816 -13.418 1.00 0.00 N ATOM 915 CA VAL A 64 4.783 -3.618 -12.703 1.00 0.00 C ATOM 916 C VAL A 64 3.302 -3.336 -12.932 1.00 0.00 C ATOM 917 O VAL A 64 2.607 -2.848 -12.042 1.00 0.00 O ATOM 918 CB VAL A 64 5.602 -2.387 -13.136 1.00 0.00 C ATOM 919 CG1 VAL A 64 7.081 -2.603 -12.856 1.00 0.00 C ATOM 920 CG2 VAL A 64 5.367 -2.082 -14.608 1.00 0.00 C ATOM 0 H VAL A 64 6.150 -4.765 -13.804 1.00 0.00 H new ATOM 0 HA VAL A 64 4.954 -3.805 -11.643 1.00 0.00 H new ATOM 0 HB VAL A 64 5.270 -1.528 -12.553 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.643 -1.723 -13.169 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.229 -2.768 -11.789 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.433 -3.473 -13.410 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.953 -1.210 -14.897 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.670 -2.939 -15.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.309 -1.879 -14.773 1.00 0.00 H new ATOM 930 N HIS A 65 2.826 -3.648 -14.134 1.00 0.00 N ATOM 931 CA HIS A 65 1.426 -3.429 -14.480 1.00 0.00 C ATOM 932 C HIS A 65 0.511 -4.298 -13.622 1.00 0.00 C ATOM 933 O HIS A 65 -0.491 -3.823 -13.087 1.00 0.00 O ATOM 934 CB HIS A 65 1.192 -3.731 -15.961 1.00 0.00 C ATOM 935 CG HIS A 65 1.499 -5.147 -16.340 1.00 0.00 C ATOM 936 ND1 HIS A 65 0.693 -6.231 -16.437 1.00 0.00 N flip ATOM 937 CD2 HIS A 65 2.764 -5.581 -16.671 1.00 0.00 C flip ATOM 938 CE1 HIS A 65 1.480 -7.289 -16.823 1.00 0.00 C flip ATOM 939 NE2 HIS A 65 2.725 -6.869 -16.957 1.00 0.00 N flip ATOM 0 H HIS A 65 3.388 -4.052 -14.883 1.00 0.00 H new ATOM 0 HA HIS A 65 1.190 -2.383 -14.287 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.152 -3.515 -16.207 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.808 -3.061 -16.561 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.650 -4.963 -16.693 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.137 -8.299 -16.990 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.521 -7.443 -17.234 1.00 0.00 H new ATOM 947 N LEU A 66 0.862 -5.573 -13.496 1.00 0.00 N ATOM 948 CA LEU A 66 0.073 -6.509 -12.703 1.00 0.00 C ATOM 949 C LEU A 66 0.145 -6.162 -11.220 1.00 0.00 C ATOM 950 O LEU A 66 -0.879 -6.072 -10.542 1.00 0.00 O ATOM 951 CB LEU A 66 0.565 -7.940 -12.928 1.00 0.00 C ATOM 952 CG LEU A 66 -0.497 -9.037 -12.839 1.00 0.00 C ATOM 953 CD1 LEU A 66 -1.090 -9.316 -14.210 1.00 0.00 C ATOM 954 CD2 LEU A 66 0.096 -10.306 -12.243 1.00 0.00 C ATOM 0 H LEU A 66 1.688 -5.982 -13.933 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.966 -6.434 -13.025 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.031 -7.992 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.343 -8.155 -12.195 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.296 -8.691 -12.183 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.844 -10.099 -14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.551 -8.408 -14.599 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.301 -9.641 -14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.674 -11.076 -12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.914 -10.656 -12.873 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.473 -10.096 -11.242 1.00 0.00 H new ATOM 966 N SER A 67 1.361 -5.964 -10.721 1.00 0.00 N ATOM 967 CA SER A 67 1.567 -5.628 -9.318 1.00 0.00 C ATOM 968 C SER A 67 2.800 -4.746 -9.145 1.00 0.00 C ATOM 969 O SER A 67 3.933 -5.218 -9.239 1.00 0.00 O ATOM 970 CB SER A 67 1.715 -6.900 -8.483 1.00 0.00 C ATOM 971 OG SER A 67 1.193 -6.718 -7.178 1.00 0.00 O ATOM 0 H SER A 67 2.219 -6.031 -11.269 1.00 0.00 H new ATOM 0 HA SER A 67 0.694 -5.074 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.196 -7.723 -8.974 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.767 -7.178 -8.422 1.00 0.00 H new ATOM 0 HG SER A 67 0.292 -7.101 -7.129 1.00 0.00 H new ATOM 977 N PHE A 68 2.570 -3.461 -8.893 1.00 0.00 N ATOM 978 CA PHE A 68 3.662 -2.512 -8.708 1.00 0.00 C ATOM 979 C PHE A 68 4.260 -2.636 -7.310 1.00 0.00 C ATOM 980 O PHE A 68 3.536 -2.654 -6.313 1.00 0.00 O ATOM 981 CB PHE A 68 3.167 -1.083 -8.938 1.00 0.00 C ATOM 982 CG PHE A 68 4.248 -0.138 -9.378 1.00 0.00 C ATOM 983 CD1 PHE A 68 5.103 0.439 -8.453 1.00 0.00 C ATOM 984 CD2 PHE A 68 4.412 0.174 -10.720 1.00 0.00 C ATOM 985 CE1 PHE A 68 6.098 1.309 -8.855 1.00 0.00 C ATOM 986 CE2 PHE A 68 5.405 1.043 -11.128 1.00 0.00 C ATOM 987 CZ PHE A 68 6.250 1.611 -10.194 1.00 0.00 C ATOM 0 H PHE A 68 1.638 -3.054 -8.812 1.00 0.00 H new ATOM 0 HA PHE A 68 4.438 -2.743 -9.437 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.379 -1.097 -9.691 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.721 -0.709 -8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.990 0.206 -7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.755 -0.268 -11.455 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.756 1.753 -8.123 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.521 1.278 -12.176 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.028 2.290 -10.510 1.00 0.00 H new ATOM 997 N ILE A 69 5.584 -2.721 -7.244 1.00 0.00 N ATOM 998 CA ILE A 69 6.279 -2.842 -5.969 1.00 0.00 C ATOM 999 C ILE A 69 7.070 -1.577 -5.651 1.00 0.00 C ATOM 1000 O ILE A 69 7.739 -1.017 -6.520 1.00 0.00 O ATOM 1001 CB ILE A 69 7.237 -4.048 -5.962 1.00 0.00 C ATOM 1002 CG1 ILE A 69 6.710 -5.151 -6.881 1.00 0.00 C ATOM 1003 CG2 ILE A 69 7.418 -4.573 -4.546 1.00 0.00 C ATOM 1004 CD1 ILE A 69 5.463 -5.829 -6.357 1.00 0.00 C ATOM 0 H ILE A 69 6.197 -2.708 -8.059 1.00 0.00 H new ATOM 0 HA ILE A 69 5.515 -2.991 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 69 8.208 -3.723 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.498 -4.725 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.490 -5.900 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.098 -5.425 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.834 -3.786 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.453 -4.885 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.146 -6.600 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.676 -6.285 -5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.668 -5.092 -6.244 1.00 0.00 H new ATOM 1016 N ARG A 70 6.990 -1.134 -4.401 1.00 0.00 N ATOM 1017 CA ARG A 70 7.699 0.063 -3.967 1.00 0.00 C ATOM 1018 C ARG A 70 8.115 -0.049 -2.504 1.00 0.00 C ATOM 1019 O ARG A 70 7.298 -0.368 -1.638 1.00 0.00 O ATOM 1020 CB ARG A 70 6.821 1.301 -4.165 1.00 0.00 C ATOM 1021 CG ARG A 70 6.830 1.832 -5.588 1.00 0.00 C ATOM 1022 CD ARG A 70 8.028 2.737 -5.837 1.00 0.00 C ATOM 1023 NE ARG A 70 7.763 3.719 -6.885 1.00 0.00 N ATOM 1024 CZ ARG A 70 8.718 4.345 -7.565 1.00 0.00 C ATOM 1025 NH1 ARG A 70 9.993 4.092 -7.306 1.00 0.00 N ATOM 1026 NH2 ARG A 70 8.398 5.226 -8.504 1.00 0.00 N ATOM 0 H ARG A 70 6.441 -1.587 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 70 8.598 0.161 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.796 1.058 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.159 2.088 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.851 0.998 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.910 2.384 -5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.290 3.254 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.889 2.130 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 70 6.792 3.936 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.242 3.416 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.725 4.573 -7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.418 5.424 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.132 5.706 -9.025 1.00 0.00 H new ATOM 1040 N SER A 71 9.389 0.212 -2.234 1.00 0.00 N ATOM 1041 CA SER A 71 9.915 0.135 -0.876 1.00 0.00 C ATOM 1042 C SER A 71 9.359 1.265 -0.013 1.00 0.00 C ATOM 1043 O SER A 71 8.844 2.259 -0.527 1.00 0.00 O ATOM 1044 CB SER A 71 11.443 0.196 -0.893 1.00 0.00 C ATOM 1045 OG SER A 71 11.990 -0.348 0.295 1.00 0.00 O ATOM 0 H SER A 71 10.077 0.479 -2.938 1.00 0.00 H new ATOM 0 HA SER A 71 9.602 -0.816 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.822 -0.352 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.767 1.231 -1.005 1.00 0.00 H new ATOM 0 HG SER A 71 12.433 -1.198 0.092 1.00 0.00 H new ATOM 1051 N THR A 72 9.467 1.105 1.302 1.00 0.00 N ATOM 1052 CA THR A 72 8.976 2.109 2.237 1.00 0.00 C ATOM 1053 C THR A 72 10.123 2.926 2.820 1.00 0.00 C ATOM 1054 O THR A 72 9.944 4.084 3.195 1.00 0.00 O ATOM 1055 CB THR A 72 8.183 1.463 3.389 1.00 0.00 C ATOM 1056 OG1 THR A 72 9.047 0.634 4.174 1.00 0.00 O ATOM 1057 CG2 THR A 72 7.027 0.634 2.852 1.00 0.00 C ATOM 0 H THR A 72 9.891 0.289 1.744 1.00 0.00 H new ATOM 0 HA THR A 72 8.314 2.768 1.675 1.00 0.00 H new ATOM 0 HB THR A 72 7.779 2.260 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.536 0.228 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.482 0.188 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.355 1.274 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.414 -0.155 2.207 1.00 0.00 H new ATOM 1065 N GLU A 73 11.302 2.314 2.892 1.00 0.00 N ATOM 1066 CA GLU A 73 12.478 2.987 3.430 1.00 0.00 C ATOM 1067 C GLU A 73 13.430 3.397 2.311 1.00 0.00 C ATOM 1068 O GLU A 73 13.932 4.522 2.287 1.00 0.00 O ATOM 1069 CB GLU A 73 13.204 2.078 4.425 1.00 0.00 C ATOM 1070 CG GLU A 73 12.338 1.644 5.596 1.00 0.00 C ATOM 1071 CD GLU A 73 12.408 2.610 6.762 1.00 0.00 C ATOM 1072 OE1 GLU A 73 13.441 3.299 6.901 1.00 0.00 O ATOM 1073 OE2 GLU A 73 11.431 2.676 7.537 1.00 0.00 O ATOM 0 H GLU A 73 11.467 1.355 2.585 1.00 0.00 H new ATOM 0 HA GLU A 73 12.144 3.886 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.562 1.192 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.082 2.599 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.303 1.555 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.653 0.655 5.929 1.00 0.00 H new ATOM 1080 N LEU A 74 13.676 2.477 1.385 1.00 0.00 N ATOM 1081 CA LEU A 74 14.569 2.740 0.262 1.00 0.00 C ATOM 1082 C LEU A 74 13.816 3.394 -0.891 1.00 0.00 C ATOM 1083 O LEU A 74 14.080 3.112 -2.060 1.00 0.00 O ATOM 1084 CB LEU A 74 15.222 1.440 -0.213 1.00 0.00 C ATOM 1085 CG LEU A 74 15.752 0.516 0.884 1.00 0.00 C ATOM 1086 CD1 LEU A 74 15.685 -0.936 0.436 1.00 0.00 C ATOM 1087 CD2 LEU A 74 17.177 0.896 1.258 1.00 0.00 C ATOM 0 H LEU A 74 13.269 1.542 1.390 1.00 0.00 H new ATOM 0 HA LEU A 74 15.345 3.426 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.494 0.887 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 74 16.048 1.693 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 74 15.123 0.632 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 74 16.066 -1.579 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.651 -1.202 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.290 -1.068 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 74 17.538 0.228 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.819 0.809 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 74 17.196 1.924 1.621 1.00 0.00 H new ATOM 1099 N ASP A 75 12.876 4.272 -0.554 1.00 0.00 N ATOM 1100 CA ASP A 75 12.085 4.970 -1.562 1.00 0.00 C ATOM 1101 C ASP A 75 11.239 6.067 -0.924 1.00 0.00 C ATOM 1102 O ASP A 75 10.352 5.791 -0.117 1.00 0.00 O ATOM 1103 CB ASP A 75 11.186 3.984 -2.307 1.00 0.00 C ATOM 1104 CG ASP A 75 11.860 3.399 -3.533 1.00 0.00 C ATOM 1105 OD1 ASP A 75 12.776 4.052 -4.074 1.00 0.00 O ATOM 1106 OD2 ASP A 75 11.469 2.289 -3.953 1.00 0.00 O ATOM 0 H ASP A 75 12.644 4.517 0.409 1.00 0.00 H new ATOM 0 HA ASP A 75 12.771 5.432 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.900 3.177 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.268 4.489 -2.607 1.00 0.00 H new ATOM 1111 N SER A 76 11.521 7.314 -1.290 1.00 0.00 N ATOM 1112 CA SER A 76 10.789 8.454 -0.751 1.00 0.00 C ATOM 1113 C SER A 76 10.093 9.230 -1.864 1.00 0.00 C ATOM 1114 O SER A 76 9.991 10.454 -1.813 1.00 0.00 O ATOM 1115 CB SER A 76 11.737 9.379 0.015 1.00 0.00 C ATOM 1116 OG SER A 76 12.511 8.653 0.954 1.00 0.00 O ATOM 0 H SER A 76 12.252 7.560 -1.958 1.00 0.00 H new ATOM 0 HA SER A 76 10.029 8.075 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.396 9.890 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.162 10.148 0.530 1.00 0.00 H new ATOM 0 HG SER A 76 13.110 9.267 1.429 1.00 0.00 H new ATOM 1122 N ASN A 77 9.616 8.505 -2.872 1.00 0.00 N ATOM 1123 CA ASN A 77 8.930 9.125 -4.000 1.00 0.00 C ATOM 1124 C ASN A 77 7.517 8.567 -4.150 1.00 0.00 C ATOM 1125 O ASN A 77 7.048 8.330 -5.262 1.00 0.00 O ATOM 1126 CB ASN A 77 9.719 8.899 -5.290 1.00 0.00 C ATOM 1127 CG ASN A 77 11.093 9.539 -5.248 1.00 0.00 C ATOM 1128 OD1 ASN A 77 11.980 8.981 -4.433 1.00 0.00 O flip ATOM 1129 ND2 ASN A 77 11.353 10.523 -5.939 1.00 0.00 N flip ATOM 0 H ASN A 77 9.692 7.490 -2.930 1.00 0.00 H new ATOM 0 HA ASN A 77 8.861 10.196 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.825 7.828 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.158 9.305 -6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.640 10.919 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.282 10.943 -5.899 1.00 0.00 H new ATOM 1136 N TRP A 78 6.846 8.360 -3.022 1.00 0.00 N ATOM 1137 CA TRP A 78 5.487 7.831 -3.028 1.00 0.00 C ATOM 1138 C TRP A 78 4.473 8.938 -3.293 1.00 0.00 C ATOM 1139 O TRP A 78 4.668 10.082 -2.884 1.00 0.00 O ATOM 1140 CB TRP A 78 5.178 7.147 -1.696 1.00 0.00 C ATOM 1141 CG TRP A 78 5.649 5.726 -1.633 1.00 0.00 C ATOM 1142 CD1 TRP A 78 6.941 5.287 -1.699 1.00 0.00 C ATOM 1143 CD2 TRP A 78 4.833 4.558 -1.495 1.00 0.00 C ATOM 1144 NE1 TRP A 78 6.976 3.916 -1.611 1.00 0.00 N ATOM 1145 CE2 TRP A 78 5.696 3.446 -1.484 1.00 0.00 C ATOM 1146 CE3 TRP A 78 3.457 4.344 -1.377 1.00 0.00 C ATOM 1147 CZ2 TRP A 78 5.226 2.140 -1.361 1.00 0.00 C ATOM 1148 CZ3 TRP A 78 2.992 3.049 -1.256 1.00 0.00 C ATOM 1149 CH2 TRP A 78 3.875 1.960 -1.247 1.00 0.00 C ATOM 0 H TRP A 78 7.221 8.550 -2.093 1.00 0.00 H new ATOM 0 HA TRP A 78 5.413 7.097 -3.830 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.644 7.712 -0.889 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.102 7.173 -1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.807 5.923 -1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 78 7.819 3.342 -1.636 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.769 5.177 -1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.904 1.300 -1.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 1.930 2.872 -1.167 1.00 0.00 H new ATOM 0 HH2 TRP A 78 3.481 0.959 -1.148 1.00 0.00 H new ATOM 1160 N SER A 79 3.389 8.590 -3.980 1.00 0.00 N ATOM 1161 CA SER A 79 2.345 9.556 -4.303 1.00 0.00 C ATOM 1162 C SER A 79 1.190 9.460 -3.310 1.00 0.00 C ATOM 1163 O SER A 79 0.784 8.366 -2.919 1.00 0.00 O ATOM 1164 CB SER A 79 1.831 9.328 -5.726 1.00 0.00 C ATOM 1165 OG SER A 79 1.558 7.957 -5.954 1.00 0.00 O ATOM 0 H SER A 79 3.211 7.646 -4.324 1.00 0.00 H new ATOM 0 HA SER A 79 2.776 10.555 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.927 9.914 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.572 9.679 -6.445 1.00 0.00 H new ATOM 0 HG SER A 79 2.399 7.475 -6.098 1.00 0.00 H new ATOM 1171 N TRP A 80 0.668 10.612 -2.908 1.00 0.00 N ATOM 1172 CA TRP A 80 -0.441 10.659 -1.961 1.00 0.00 C ATOM 1173 C TRP A 80 -1.411 9.507 -2.200 1.00 0.00 C ATOM 1174 O TRP A 80 -1.896 8.885 -1.256 1.00 0.00 O ATOM 1175 CB TRP A 80 -1.178 11.994 -2.072 1.00 0.00 C ATOM 1176 CG TRP A 80 -0.414 13.146 -1.493 1.00 0.00 C ATOM 1177 CD1 TRP A 80 0.264 14.110 -2.182 1.00 0.00 C ATOM 1178 CD2 TRP A 80 -0.247 13.451 -0.104 1.00 0.00 C ATOM 1179 NE1 TRP A 80 0.841 14.996 -1.307 1.00 0.00 N ATOM 1180 CE2 TRP A 80 0.543 14.615 -0.025 1.00 0.00 C ATOM 1181 CE3 TRP A 80 -0.689 12.855 1.080 1.00 0.00 C ATOM 1182 CZ2 TRP A 80 0.898 15.192 1.191 1.00 0.00 C ATOM 1183 CZ3 TRP A 80 -0.335 13.429 2.287 1.00 0.00 C ATOM 1184 CH2 TRP A 80 0.451 14.588 2.335 1.00 0.00 C ATOM 0 H TRP A 80 0.994 11.526 -3.222 1.00 0.00 H new ATOM 0 HA TRP A 80 -0.031 10.561 -0.956 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -1.388 12.198 -3.122 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -2.139 11.913 -1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 80 0.336 14.167 -3.258 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.401 15.807 -1.569 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.296 11.962 1.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.505 16.085 1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.670 12.976 3.209 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.709 15.013 3.294 1.00 0.00 H new ATOM 1195 N PHE A 81 -1.688 9.228 -3.470 1.00 0.00 N ATOM 1196 CA PHE A 81 -2.601 8.149 -3.833 1.00 0.00 C ATOM 1197 C PHE A 81 -2.016 6.792 -3.456 1.00 0.00 C ATOM 1198 O PHE A 81 -2.590 6.062 -2.648 1.00 0.00 O ATOM 1199 CB PHE A 81 -2.900 8.190 -5.333 1.00 0.00 C ATOM 1200 CG PHE A 81 -4.065 7.333 -5.736 1.00 0.00 C ATOM 1201 CD1 PHE A 81 -3.877 6.008 -6.096 1.00 0.00 C ATOM 1202 CD2 PHE A 81 -5.350 7.852 -5.754 1.00 0.00 C ATOM 1203 CE1 PHE A 81 -4.947 5.216 -6.466 1.00 0.00 C ATOM 1204 CE2 PHE A 81 -6.425 7.064 -6.123 1.00 0.00 C ATOM 1205 CZ PHE A 81 -6.223 5.746 -6.481 1.00 0.00 C ATOM 0 H PHE A 81 -1.294 9.733 -4.264 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.530 8.290 -3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.098 9.221 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.015 7.867 -5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.882 5.589 -6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.514 8.883 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.786 4.185 -6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.422 7.479 -6.131 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.061 5.130 -6.772 1.00 0.00 H new ATOM 1215 N GLN A 82 -0.873 6.461 -4.047 1.00 0.00 N ATOM 1216 CA GLN A 82 -0.212 5.191 -3.774 1.00 0.00 C ATOM 1217 C GLN A 82 -0.079 4.957 -2.272 1.00 0.00 C ATOM 1218 O GLN A 82 -0.123 3.820 -1.803 1.00 0.00 O ATOM 1219 CB GLN A 82 1.169 5.158 -4.431 1.00 0.00 C ATOM 1220 CG GLN A 82 1.121 4.969 -5.939 1.00 0.00 C ATOM 1221 CD GLN A 82 2.500 4.909 -6.564 1.00 0.00 C ATOM 1222 OE1 GLN A 82 3.391 5.680 -6.207 1.00 0.00 O ATOM 1223 NE2 GLN A 82 2.684 3.988 -7.503 1.00 0.00 N ATOM 0 H GLN A 82 -0.385 7.055 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.826 4.394 -4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.691 6.088 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.753 4.350 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.582 4.050 -6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.559 5.789 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.917 3.370 -7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.592 3.899 -7.959 1.00 0.00 H new ATOM 1232 N LEU A 83 0.085 6.043 -1.523 1.00 0.00 N ATOM 1233 CA LEU A 83 0.225 5.957 -0.073 1.00 0.00 C ATOM 1234 C LEU A 83 -1.059 5.439 0.568 1.00 0.00 C ATOM 1235 O LEU A 83 -1.091 4.333 1.109 1.00 0.00 O ATOM 1236 CB LEU A 83 0.581 7.326 0.506 1.00 0.00 C ATOM 1237 CG LEU A 83 2.072 7.654 0.589 1.00 0.00 C ATOM 1238 CD1 LEU A 83 2.279 9.120 0.934 1.00 0.00 C ATOM 1239 CD2 LEU A 83 2.757 6.761 1.614 1.00 0.00 C ATOM 0 H LEU A 83 0.124 6.992 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 83 1.029 5.255 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.094 8.091 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.158 7.395 1.508 1.00 0.00 H new ATOM 0 HG LEU A 83 2.521 7.466 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.346 9.334 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.823 9.743 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.816 9.336 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.818 7.008 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.305 6.918 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.640 5.717 1.323 1.00 0.00 H new ATOM 1251 N ARG A 84 -2.114 6.244 0.502 1.00 0.00 N ATOM 1252 CA ARG A 84 -3.400 5.865 1.075 1.00 0.00 C ATOM 1253 C ARG A 84 -3.802 4.462 0.630 1.00 0.00 C ATOM 1254 O ARG A 84 -4.334 3.679 1.418 1.00 0.00 O ATOM 1255 CB ARG A 84 -4.479 6.870 0.668 1.00 0.00 C ATOM 1256 CG ARG A 84 -4.115 8.314 0.975 1.00 0.00 C ATOM 1257 CD ARG A 84 -3.925 8.535 2.468 1.00 0.00 C ATOM 1258 NE ARG A 84 -4.203 9.915 2.856 1.00 0.00 N ATOM 1259 CZ ARG A 84 -3.265 10.849 2.973 1.00 0.00 C ATOM 1260 NH1 ARG A 84 -1.995 10.551 2.731 1.00 0.00 N ATOM 1261 NH2 ARG A 84 -3.596 12.083 3.331 1.00 0.00 N ATOM 0 H ARG A 84 -2.104 7.162 0.058 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.301 5.868 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.670 6.772 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.407 6.621 1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.199 8.580 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.899 8.975 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.582 7.864 3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.902 8.279 2.745 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.170 10.176 3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.737 9.604 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.276 11.269 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.572 12.316 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.875 12.799 3.420 1.00 0.00 H new ATOM 1275 N CYS A 85 -3.547 4.153 -0.635 1.00 0.00 N ATOM 1276 CA CYS A 85 -3.883 2.845 -1.186 1.00 0.00 C ATOM 1277 C CYS A 85 -3.468 1.730 -0.231 1.00 0.00 C ATOM 1278 O CYS A 85 -4.007 0.624 -0.281 1.00 0.00 O ATOM 1279 CB CYS A 85 -3.206 2.650 -2.544 1.00 0.00 C ATOM 1280 SG CYS A 85 -3.899 3.667 -3.867 1.00 0.00 S ATOM 0 H CYS A 85 -3.108 4.790 -1.300 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.964 2.801 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.144 2.876 -2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.283 1.601 -2.829 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.591 4.913 -3.663 1.00 0.00 H new ATOM 1286 N MET A 86 -2.506 2.028 0.635 1.00 0.00 N ATOM 1287 CA MET A 86 -2.017 1.051 1.600 1.00 0.00 C ATOM 1288 C MET A 86 -2.864 1.069 2.869 1.00 0.00 C ATOM 1289 O MET A 86 -3.178 0.020 3.431 1.00 0.00 O ATOM 1290 CB MET A 86 -0.553 1.331 1.947 1.00 0.00 C ATOM 1291 CG MET A 86 0.338 1.502 0.728 1.00 0.00 C ATOM 1292 SD MET A 86 0.411 0.016 -0.293 1.00 0.00 S ATOM 1293 CE MET A 86 1.123 -1.153 0.862 1.00 0.00 C ATOM 0 H MET A 86 -2.049 2.939 0.688 1.00 0.00 H new ATOM 0 HA MET A 86 -2.092 0.062 1.147 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.499 2.233 2.556 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.169 0.512 2.555 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.031 2.333 0.127 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.345 1.765 1.053 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.524 -2.006 0.315 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.925 -0.670 1.421 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.354 -1.495 1.554 1.00 0.00 H new ATOM 1303 N GLN A 87 -3.231 2.267 3.312 1.00 0.00 N ATOM 1304 CA GLN A 87 -4.042 2.420 4.515 1.00 0.00 C ATOM 1305 C GLN A 87 -5.484 1.996 4.257 1.00 0.00 C ATOM 1306 O GLN A 87 -6.198 1.594 5.176 1.00 0.00 O ATOM 1307 CB GLN A 87 -4.003 3.870 5.001 1.00 0.00 C ATOM 1308 CG GLN A 87 -2.634 4.310 5.492 1.00 0.00 C ATOM 1309 CD GLN A 87 -2.538 5.811 5.686 1.00 0.00 C ATOM 1310 OE1 GLN A 87 -1.539 6.248 6.445 1.00 0.00 O flip ATOM 1311 NE2 GLN A 87 -3.354 6.570 5.161 1.00 0.00 N flip ATOM 0 H GLN A 87 -2.980 3.145 2.857 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.626 1.774 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.316 4.525 4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.726 3.994 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.413 3.811 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.876 3.991 4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.106 6.191 4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.278 7.577 5.302 1.00 0.00 H new ATOM 1320 N VAL A 88 -5.908 2.090 3.001 1.00 0.00 N ATOM 1321 CA VAL A 88 -7.265 1.717 2.622 1.00 0.00 C ATOM 1322 C VAL A 88 -7.334 0.253 2.198 1.00 0.00 C ATOM 1323 O VAL A 88 -8.273 -0.166 1.523 1.00 0.00 O ATOM 1324 CB VAL A 88 -7.789 2.597 1.472 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -7.767 4.065 1.871 1.00 0.00 C ATOM 1326 CG2 VAL A 88 -6.973 2.366 0.210 1.00 0.00 C ATOM 0 H VAL A 88 -5.331 2.422 2.228 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.892 1.869 3.501 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.822 2.317 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.141 4.672 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.399 4.214 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.745 4.363 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.357 2.996 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.930 2.617 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.046 1.319 -0.084 1.00 0.00 H new ATOM 1336 N GLY A 89 -6.331 -0.521 2.602 1.00 0.00 N ATOM 1337 CA GLY A 89 -6.296 -1.930 2.255 1.00 0.00 C ATOM 1338 C GLY A 89 -5.925 -2.808 3.433 1.00 0.00 C ATOM 1339 O GLY A 89 -6.780 -3.170 4.241 1.00 0.00 O ATOM 0 H GLY A 89 -5.543 -0.198 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.272 -2.232 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.578 -2.085 1.450 1.00 0.00 H new ATOM 1343 N GLY A 90 -4.645 -3.154 3.532 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.186 -3.994 4.623 1.00 0.00 C ATOM 1345 C GLY A 90 -3.973 -5.433 4.196 1.00 0.00 C ATOM 1346 O GLY A 90 -4.450 -5.852 3.143 1.00 0.00 O ATOM 0 H GLY A 90 -3.918 -2.868 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.252 -3.593 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.915 -3.963 5.433 1.00 0.00 H new ATOM 1350 N ASN A 91 -3.251 -6.190 5.016 1.00 0.00 N ATOM 1351 CA ASN A 91 -2.974 -7.590 4.717 1.00 0.00 C ATOM 1352 C ASN A 91 -4.232 -8.439 4.869 1.00 0.00 C ATOM 1353 O ASN A 91 -4.792 -8.921 3.885 1.00 0.00 O ATOM 1354 CB ASN A 91 -1.872 -8.122 5.636 1.00 0.00 C ATOM 1355 CG ASN A 91 -0.567 -7.368 5.470 1.00 0.00 C ATOM 1356 OD1 ASN A 91 -0.539 -6.138 5.503 1.00 0.00 O ATOM 1357 ND2 ASN A 91 0.522 -8.106 5.289 1.00 0.00 N ATOM 0 H ASN A 91 -2.848 -5.858 5.892 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.637 -7.654 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.201 -8.050 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.707 -9.179 5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.429 -7.656 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.451 -9.123 5.269 1.00 0.00 H new ATOM 1364 N ALA A 92 -4.673 -8.617 6.111 1.00 0.00 N ATOM 1365 CA ALA A 92 -5.866 -9.405 6.393 1.00 0.00 C ATOM 1366 C ALA A 92 -6.961 -9.129 5.367 1.00 0.00 C ATOM 1367 O ALA A 92 -7.535 -10.054 4.793 1.00 0.00 O ATOM 1368 CB ALA A 92 -6.371 -9.114 7.798 1.00 0.00 C ATOM 0 H ALA A 92 -4.221 -8.226 6.937 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.599 -10.460 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.262 -9.710 7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.597 -9.368 8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.615 -8.055 7.885 1.00 0.00 H new ATOM 1374 N SER A 93 -7.246 -7.850 5.143 1.00 0.00 N ATOM 1375 CA SER A 93 -8.276 -7.452 4.191 1.00 0.00 C ATOM 1376 C SER A 93 -8.329 -8.420 3.012 1.00 0.00 C ATOM 1377 O SER A 93 -9.394 -8.921 2.654 1.00 0.00 O ATOM 1378 CB SER A 93 -8.013 -6.032 3.687 1.00 0.00 C ATOM 1379 OG SER A 93 -8.461 -5.068 4.624 1.00 0.00 O ATOM 0 H SER A 93 -6.778 -7.072 5.608 1.00 0.00 H new ATOM 0 HA SER A 93 -9.238 -7.476 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.947 -5.899 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.520 -5.881 2.734 1.00 0.00 H new ATOM 0 HG SER A 93 -8.066 -4.197 4.411 1.00 0.00 H new ATOM 1385 N ALA A 94 -7.171 -8.678 2.414 1.00 0.00 N ATOM 1386 CA ALA A 94 -7.084 -9.587 1.278 1.00 0.00 C ATOM 1387 C ALA A 94 -7.210 -11.038 1.725 1.00 0.00 C ATOM 1388 O ALA A 94 -8.020 -11.795 1.190 1.00 0.00 O ATOM 1389 CB ALA A 94 -5.775 -9.374 0.532 1.00 0.00 C ATOM 0 H ALA A 94 -6.280 -8.270 2.697 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.913 -9.369 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.723 -10.059 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.725 -8.347 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.938 -9.563 1.204 1.00 0.00 H new ATOM 1395 N SER A 95 -6.403 -11.422 2.710 1.00 0.00 N ATOM 1396 CA SER A 95 -6.423 -12.786 3.226 1.00 0.00 C ATOM 1397 C SER A 95 -7.838 -13.354 3.207 1.00 0.00 C ATOM 1398 O SER A 95 -8.040 -14.535 2.925 1.00 0.00 O ATOM 1399 CB SER A 95 -5.865 -12.822 4.650 1.00 0.00 C ATOM 1400 OG SER A 95 -5.753 -14.154 5.120 1.00 0.00 O ATOM 0 H SER A 95 -5.728 -10.808 3.166 1.00 0.00 H new ATOM 0 HA SER A 95 -5.796 -13.402 2.581 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.887 -12.341 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.516 -12.252 5.313 1.00 0.00 H new ATOM 0 HG SER A 95 -5.393 -14.150 6.031 1.00 0.00 H new ATOM 1406 N SER A 96 -8.815 -12.505 3.509 1.00 0.00 N ATOM 1407 CA SER A 96 -10.212 -12.922 3.532 1.00 0.00 C ATOM 1408 C SER A 96 -10.892 -12.611 2.201 1.00 0.00 C ATOM 1409 O SER A 96 -11.466 -13.494 1.564 1.00 0.00 O ATOM 1410 CB SER A 96 -10.956 -12.225 4.673 1.00 0.00 C ATOM 1411 OG SER A 96 -12.340 -12.527 4.638 1.00 0.00 O ATOM 0 H SER A 96 -8.665 -11.523 3.741 1.00 0.00 H new ATOM 0 HA SER A 96 -10.242 -14.000 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.536 -12.537 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.814 -11.147 4.599 1.00 0.00 H new ATOM 0 HG SER A 96 -12.793 -12.071 5.378 1.00 0.00 H new ATOM 1417 N PHE A 97 -10.823 -11.350 1.789 1.00 0.00 N ATOM 1418 CA PHE A 97 -11.433 -10.922 0.536 1.00 0.00 C ATOM 1419 C PHE A 97 -11.349 -12.025 -0.516 1.00 0.00 C ATOM 1420 O PHE A 97 -12.351 -12.393 -1.127 1.00 0.00 O ATOM 1421 CB PHE A 97 -10.749 -9.654 0.018 1.00 0.00 C ATOM 1422 CG PHE A 97 -11.402 -9.078 -1.206 1.00 0.00 C ATOM 1423 CD1 PHE A 97 -11.384 -9.768 -2.407 1.00 0.00 C ATOM 1424 CD2 PHE A 97 -12.033 -7.845 -1.155 1.00 0.00 C ATOM 1425 CE1 PHE A 97 -11.984 -9.239 -3.535 1.00 0.00 C ATOM 1426 CE2 PHE A 97 -12.634 -7.312 -2.278 1.00 0.00 C ATOM 1427 CZ PHE A 97 -12.610 -8.010 -3.470 1.00 0.00 C ATOM 0 H PHE A 97 -10.351 -10.607 2.304 1.00 0.00 H new ATOM 0 HA PHE A 97 -12.484 -10.707 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -10.749 -8.903 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.707 -9.879 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.896 -10.730 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -12.055 -7.295 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -11.963 -9.786 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -13.122 -6.350 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 97 -13.080 -7.595 -4.349 1.00 0.00 H new ATOM 1437 N PHE A 98 -10.144 -12.548 -0.720 1.00 0.00 N ATOM 1438 CA PHE A 98 -9.927 -13.607 -1.698 1.00 0.00 C ATOM 1439 C PHE A 98 -10.907 -14.756 -1.481 1.00 0.00 C ATOM 1440 O PHE A 98 -11.578 -15.200 -2.414 1.00 0.00 O ATOM 1441 CB PHE A 98 -8.490 -14.124 -1.610 1.00 0.00 C ATOM 1442 CG PHE A 98 -7.518 -13.336 -2.442 1.00 0.00 C ATOM 1443 CD1 PHE A 98 -6.915 -12.198 -1.934 1.00 0.00 C ATOM 1444 CD2 PHE A 98 -7.207 -13.737 -3.732 1.00 0.00 C ATOM 1445 CE1 PHE A 98 -6.021 -11.471 -2.698 1.00 0.00 C ATOM 1446 CE2 PHE A 98 -6.313 -13.014 -4.500 1.00 0.00 C ATOM 1447 CZ PHE A 98 -5.719 -11.880 -3.982 1.00 0.00 C ATOM 0 H PHE A 98 -9.304 -12.256 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.096 -13.191 -2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.167 -14.101 -0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.467 -15.166 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.146 -11.875 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.668 -14.624 -4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.559 -10.584 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.079 -13.336 -5.504 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.020 -11.314 -4.580 1.00 0.00 H new ATOM 1457 N HIS A 99 -10.984 -15.235 -0.243 1.00 0.00 N ATOM 1458 CA HIS A 99 -11.882 -16.333 0.097 1.00 0.00 C ATOM 1459 C HIS A 99 -13.339 -15.911 -0.059 1.00 0.00 C ATOM 1460 O HIS A 99 -14.140 -16.625 -0.662 1.00 0.00 O ATOM 1461 CB HIS A 99 -11.625 -16.803 1.529 1.00 0.00 C ATOM 1462 CG HIS A 99 -12.410 -18.021 1.909 1.00 0.00 C ATOM 1463 ND1 HIS A 99 -12.757 -18.317 3.210 1.00 0.00 N ATOM 1464 CD2 HIS A 99 -12.917 -19.021 1.149 1.00 0.00 C ATOM 1465 CE1 HIS A 99 -13.442 -19.447 3.235 1.00 0.00 C ATOM 1466 NE2 HIS A 99 -13.554 -19.894 1.997 1.00 0.00 N ATOM 0 H HIS A 99 -10.436 -14.880 0.541 1.00 0.00 H new ATOM 0 HA HIS A 99 -11.686 -17.157 -0.589 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.562 -17.014 1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.869 -15.994 2.218 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.836 -19.115 0.076 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -13.842 -19.924 4.118 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.035 -20.748 1.716 1.00 0.00 H new ATOM 1474 N GLN A 100 -13.676 -14.749 0.490 1.00 0.00 N ATOM 1475 CA GLN A 100 -15.038 -14.234 0.413 1.00 0.00 C ATOM 1476 C GLN A 100 -15.609 -14.413 -0.990 1.00 0.00 C ATOM 1477 O GLN A 100 -16.727 -14.902 -1.159 1.00 0.00 O ATOM 1478 CB GLN A 100 -15.070 -12.756 0.803 1.00 0.00 C ATOM 1479 CG GLN A 100 -15.149 -12.525 2.304 1.00 0.00 C ATOM 1480 CD GLN A 100 -16.540 -12.760 2.858 1.00 0.00 C ATOM 1481 OE1 GLN A 100 -17.540 -12.444 2.213 1.00 0.00 O ATOM 1482 NE2 GLN A 100 -16.611 -13.318 4.062 1.00 0.00 N ATOM 0 H GLN A 100 -13.025 -14.146 0.993 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.653 -14.801 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.177 -12.267 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.927 -12.281 0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.445 -13.188 2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.841 -11.504 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.756 -13.564 4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.520 -13.500 4.487 1.00 0.00 H new ATOM 1491 N HIS A 101 -14.835 -14.016 -1.995 1.00 0.00 N ATOM 1492 CA HIS A 101 -15.263 -14.132 -3.384 1.00 0.00 C ATOM 1493 C HIS A 101 -15.396 -15.597 -3.790 1.00 0.00 C ATOM 1494 O HIS A 101 -16.372 -15.989 -4.427 1.00 0.00 O ATOM 1495 CB HIS A 101 -14.272 -13.424 -4.306 1.00 0.00 C ATOM 1496 CG HIS A 101 -14.583 -13.592 -5.763 1.00 0.00 C ATOM 1497 ND1 HIS A 101 -13.838 -14.390 -6.604 1.00 0.00 N ATOM 1498 CD2 HIS A 101 -15.568 -13.060 -6.524 1.00 0.00 C ATOM 1499 CE1 HIS A 101 -14.348 -14.341 -7.821 1.00 0.00 C ATOM 1500 NE2 HIS A 101 -15.399 -13.542 -7.799 1.00 0.00 N ATOM 0 H HIS A 101 -13.907 -13.611 -1.873 1.00 0.00 H new ATOM 0 HA HIS A 101 -16.239 -13.656 -3.479 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.261 -12.361 -4.066 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.270 -13.806 -4.110 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -16.341 -12.384 -6.191 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.970 -14.865 -8.686 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -15.990 -13.319 -8.600 1.00 0.00 H new ATOM 1508 N GLY A 102 -14.406 -16.402 -3.416 1.00 0.00 N ATOM 1509 CA GLY A 102 -14.432 -17.814 -3.750 1.00 0.00 C ATOM 1510 C GLY A 102 -13.261 -18.225 -4.620 1.00 0.00 C ATOM 1511 O GLY A 102 -13.433 -18.950 -5.602 1.00 0.00 O ATOM 0 H GLY A 102 -13.587 -16.102 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.423 -18.402 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.363 -18.045 -4.267 1.00 0.00 H new ATOM 1515 N CYS A 103 -12.069 -17.761 -4.263 1.00 0.00 N ATOM 1516 CA CYS A 103 -10.864 -18.083 -5.021 1.00 0.00 C ATOM 1517 C CYS A 103 -9.756 -18.578 -4.097 1.00 0.00 C ATOM 1518 O CYS A 103 -9.021 -17.783 -3.512 1.00 0.00 O ATOM 1519 CB CYS A 103 -10.385 -16.858 -5.801 1.00 0.00 C ATOM 1520 SG CYS A 103 -9.258 -17.243 -7.162 1.00 0.00 S ATOM 0 H CYS A 103 -11.910 -17.161 -3.454 1.00 0.00 H new ATOM 0 HA CYS A 103 -11.109 -18.880 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -11.253 -16.332 -6.200 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.887 -16.175 -5.113 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.188 -17.812 -6.692 1.00 0.00 H new ATOM 1526 N SER A 104 -9.645 -19.896 -3.970 1.00 0.00 N ATOM 1527 CA SER A 104 -8.630 -20.498 -3.112 1.00 0.00 C ATOM 1528 C SER A 104 -7.467 -21.033 -3.941 1.00 0.00 C ATOM 1529 O SER A 104 -7.463 -22.193 -4.353 1.00 0.00 O ATOM 1530 CB SER A 104 -9.240 -21.627 -2.280 1.00 0.00 C ATOM 1531 OG SER A 104 -10.399 -21.187 -1.594 1.00 0.00 O ATOM 0 H SER A 104 -10.245 -20.567 -4.450 1.00 0.00 H new ATOM 0 HA SER A 104 -8.251 -19.726 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.494 -22.465 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.505 -21.992 -1.562 1.00 0.00 H new ATOM 0 HG SER A 104 -10.771 -21.928 -1.071 1.00 0.00 H new ATOM 1537 N THR A 105 -6.477 -20.178 -4.181 1.00 0.00 N ATOM 1538 CA THR A 105 -5.308 -20.562 -4.961 1.00 0.00 C ATOM 1539 C THR A 105 -4.023 -20.069 -4.305 1.00 0.00 C ATOM 1540 O THR A 105 -3.969 -18.956 -3.783 1.00 0.00 O ATOM 1541 CB THR A 105 -5.383 -20.008 -6.396 1.00 0.00 C ATOM 1542 OG1 THR A 105 -6.562 -20.492 -7.047 1.00 0.00 O ATOM 1543 CG2 THR A 105 -4.153 -20.411 -7.197 1.00 0.00 C ATOM 0 H THR A 105 -6.462 -19.215 -3.846 1.00 0.00 H new ATOM 0 HA THR A 105 -5.298 -21.651 -5.000 1.00 0.00 H new ATOM 0 HB THR A 105 -5.420 -18.920 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.603 -20.134 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 105 -4.229 -20.008 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.259 -20.016 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 105 -4.089 -21.498 -7.244 1.00 0.00 H new ATOM 1551 N ASN A 106 -2.990 -20.904 -4.335 1.00 0.00 N ATOM 1552 CA ASN A 106 -1.704 -20.552 -3.743 1.00 0.00 C ATOM 1553 C ASN A 106 -0.770 -19.949 -4.788 1.00 0.00 C ATOM 1554 O ASN A 106 -0.183 -18.889 -4.571 1.00 0.00 O ATOM 1555 CB ASN A 106 -1.054 -21.786 -3.114 1.00 0.00 C ATOM 1556 CG ASN A 106 -1.993 -22.519 -2.175 1.00 0.00 C ATOM 1557 OD1 ASN A 106 -2.119 -22.165 -1.003 1.00 0.00 O ATOM 1558 ND2 ASN A 106 -2.658 -23.548 -2.688 1.00 0.00 N ATOM 0 H ASN A 106 -3.018 -21.829 -4.763 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.881 -19.807 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.731 -22.465 -3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.161 -21.484 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.304 -24.080 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.523 -23.806 -3.665 1.00 0.00 H new ATOM 1565 N ASP A 107 -0.640 -20.631 -5.920 1.00 0.00 N ATOM 1566 CA ASP A 107 0.221 -20.162 -7.000 1.00 0.00 C ATOM 1567 C ASP A 107 0.216 -18.639 -7.076 1.00 0.00 C ATOM 1568 O ASP A 107 -0.842 -18.007 -7.040 1.00 0.00 O ATOM 1569 CB ASP A 107 -0.233 -20.753 -8.335 1.00 0.00 C ATOM 1570 CG ASP A 107 0.114 -22.224 -8.465 1.00 0.00 C ATOM 1571 OD1 ASP A 107 1.318 -22.544 -8.561 1.00 0.00 O ATOM 1572 OD2 ASP A 107 -0.819 -23.055 -8.471 1.00 0.00 O ATOM 0 H ASP A 107 -1.119 -21.510 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 107 1.238 -20.494 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.311 -20.626 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.232 -20.200 -9.151 1.00 0.00 H new ATOM 1577 N THR A 108 1.404 -18.052 -7.183 1.00 0.00 N ATOM 1578 CA THR A 108 1.537 -16.603 -7.262 1.00 0.00 C ATOM 1579 C THR A 108 1.197 -16.095 -8.658 1.00 0.00 C ATOM 1580 O THR A 108 0.701 -14.982 -8.821 1.00 0.00 O ATOM 1581 CB THR A 108 2.961 -16.148 -6.894 1.00 0.00 C ATOM 1582 OG1 THR A 108 3.270 -16.542 -5.553 1.00 0.00 O ATOM 1583 CG2 THR A 108 3.101 -14.639 -7.031 1.00 0.00 C ATOM 0 H THR A 108 2.289 -18.559 -7.217 1.00 0.00 H new ATOM 0 HA THR A 108 0.833 -16.182 -6.544 1.00 0.00 H new ATOM 0 HB THR A 108 3.659 -16.624 -7.582 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.178 -16.250 -5.327 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.116 -14.342 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.895 -14.346 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.393 -14.146 -6.365 1.00 0.00 H new ATOM 1591 N ASN A 109 1.469 -16.920 -9.665 1.00 0.00 N ATOM 1592 CA ASN A 109 1.193 -16.554 -11.049 1.00 0.00 C ATOM 1593 C ASN A 109 -0.272 -16.801 -11.395 1.00 0.00 C ATOM 1594 O ASN A 109 -0.744 -16.404 -12.459 1.00 0.00 O ATOM 1595 CB ASN A 109 2.093 -17.348 -11.998 1.00 0.00 C ATOM 1596 CG ASN A 109 1.703 -17.166 -13.452 1.00 0.00 C ATOM 1597 OD1 ASN A 109 1.040 -18.021 -14.040 1.00 0.00 O ATOM 1598 ND2 ASN A 109 2.115 -16.049 -14.040 1.00 0.00 N ATOM 0 H ASN A 109 1.880 -17.846 -9.548 1.00 0.00 H new ATOM 0 HA ASN A 109 1.402 -15.491 -11.166 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.128 -17.035 -11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 109 2.044 -18.406 -11.741 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.884 -15.872 -15.018 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.662 -15.368 -13.514 1.00 0.00 H new ATOM 1605 N ALA A 110 -0.986 -17.459 -10.487 1.00 0.00 N ATOM 1606 CA ALA A 110 -2.398 -17.756 -10.695 1.00 0.00 C ATOM 1607 C ALA A 110 -3.268 -17.021 -9.681 1.00 0.00 C ATOM 1608 O ALA A 110 -4.191 -16.293 -10.051 1.00 0.00 O ATOM 1609 CB ALA A 110 -2.639 -19.256 -10.610 1.00 0.00 C ATOM 0 H ALA A 110 -0.610 -17.796 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.674 -17.410 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.697 -19.464 -10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.052 -19.763 -11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.340 -19.617 -9.626 1.00 0.00 H new ATOM 1615 N LYS A 111 -2.970 -17.215 -8.400 1.00 0.00 N ATOM 1616 CA LYS A 111 -3.725 -16.571 -7.332 1.00 0.00 C ATOM 1617 C LYS A 111 -3.906 -15.083 -7.615 1.00 0.00 C ATOM 1618 O LYS A 111 -4.981 -14.525 -7.393 1.00 0.00 O ATOM 1619 CB LYS A 111 -3.015 -16.763 -5.990 1.00 0.00 C ATOM 1620 CG LYS A 111 -3.688 -16.039 -4.838 1.00 0.00 C ATOM 1621 CD LYS A 111 -2.733 -15.838 -3.672 1.00 0.00 C ATOM 1622 CE LYS A 111 -3.361 -14.990 -2.577 1.00 0.00 C ATOM 1623 NZ LYS A 111 -4.354 -15.762 -1.778 1.00 0.00 N ATOM 0 H LYS A 111 -2.210 -17.814 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.709 -17.037 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.969 -17.828 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -1.987 -16.411 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.055 -15.071 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.555 -16.609 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.446 -16.807 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.820 -15.359 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.580 -14.612 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.849 -14.124 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.759 -15.149 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.113 -16.102 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.883 -16.575 -1.331 1.00 0.00 H new ATOM 1637 N TYR A 112 -2.849 -14.446 -8.108 1.00 0.00 N ATOM 1638 CA TYR A 112 -2.891 -13.023 -8.420 1.00 0.00 C ATOM 1639 C TYR A 112 -3.497 -12.786 -9.799 1.00 0.00 C ATOM 1640 O TYR A 112 -4.089 -11.739 -10.058 1.00 0.00 O ATOM 1641 CB TYR A 112 -1.485 -12.424 -8.359 1.00 0.00 C ATOM 1642 CG TYR A 112 -0.996 -12.168 -6.952 1.00 0.00 C ATOM 1643 CD1 TYR A 112 -1.468 -11.085 -6.219 1.00 0.00 C ATOM 1644 CD2 TYR A 112 -0.062 -13.006 -6.356 1.00 0.00 C ATOM 1645 CE1 TYR A 112 -1.023 -10.847 -4.932 1.00 0.00 C ATOM 1646 CE2 TYR A 112 0.386 -12.776 -5.069 1.00 0.00 C ATOM 1647 CZ TYR A 112 -0.097 -11.694 -4.362 1.00 0.00 C ATOM 1648 OH TYR A 112 0.349 -11.461 -3.081 1.00 0.00 O ATOM 0 H TYR A 112 -1.953 -14.893 -8.300 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.520 -12.533 -7.677 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.790 -13.099 -8.859 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.474 -11.486 -8.914 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.194 -10.419 -6.662 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.321 -13.852 -6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.399 -10.001 -4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 112 1.110 -13.439 -4.619 1.00 0.00 H new ATOM 0 HH TYR A 112 0.998 -12.151 -2.830 1.00 0.00 H new ATOM 1658 N ASN A 113 -3.347 -13.768 -10.682 1.00 0.00 N ATOM 1659 CA ASN A 113 -3.879 -13.668 -12.036 1.00 0.00 C ATOM 1660 C ASN A 113 -5.327 -14.147 -12.088 1.00 0.00 C ATOM 1661 O ASN A 113 -5.837 -14.501 -13.151 1.00 0.00 O ATOM 1662 CB ASN A 113 -3.023 -14.486 -13.005 1.00 0.00 C ATOM 1663 CG ASN A 113 -1.737 -13.776 -13.382 1.00 0.00 C ATOM 1664 OD1 ASN A 113 -0.702 -13.959 -12.572 1.00 0.00 O flip ATOM 1665 ND2 ASN A 113 -1.677 -13.072 -14.390 1.00 0.00 N flip ATOM 0 H ASN A 113 -2.861 -14.643 -10.484 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.851 -12.620 -12.334 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -2.784 -15.448 -12.551 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -3.598 -14.693 -13.907 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.499 -12.960 -14.984 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.805 -12.600 -14.632 1.00 0.00 H new ATOM 1672 N SER A 114 -5.984 -14.156 -10.932 1.00 0.00 N ATOM 1673 CA SER A 114 -7.371 -14.596 -10.845 1.00 0.00 C ATOM 1674 C SER A 114 -8.316 -13.399 -10.778 1.00 0.00 C ATOM 1675 O SER A 114 -7.880 -12.257 -10.636 1.00 0.00 O ATOM 1676 CB SER A 114 -7.570 -15.487 -9.617 1.00 0.00 C ATOM 1677 OG SER A 114 -7.742 -14.709 -8.446 1.00 0.00 O ATOM 0 H SER A 114 -5.578 -13.864 -10.043 1.00 0.00 H new ATOM 0 HA SER A 114 -7.602 -15.170 -11.742 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.441 -16.126 -9.764 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.709 -16.145 -9.497 1.00 0.00 H new ATOM 0 HG SER A 114 -8.209 -15.239 -7.767 1.00 0.00 H new ATOM 1683 N ARG A 115 -9.613 -13.671 -10.879 1.00 0.00 N ATOM 1684 CA ARG A 115 -10.620 -12.619 -10.832 1.00 0.00 C ATOM 1685 C ARG A 115 -10.671 -11.977 -9.448 1.00 0.00 C ATOM 1686 O ARG A 115 -10.631 -10.755 -9.318 1.00 0.00 O ATOM 1687 CB ARG A 115 -11.995 -13.182 -11.195 1.00 0.00 C ATOM 1688 CG ARG A 115 -13.132 -12.193 -10.995 1.00 0.00 C ATOM 1689 CD ARG A 115 -13.189 -11.176 -12.123 1.00 0.00 C ATOM 1690 NE ARG A 115 -13.746 -11.747 -13.346 1.00 0.00 N ATOM 1691 CZ ARG A 115 -14.317 -11.022 -14.303 1.00 0.00 C ATOM 1692 NH1 ARG A 115 -14.405 -9.704 -14.176 1.00 0.00 N ATOM 1693 NH2 ARG A 115 -14.800 -11.614 -15.387 1.00 0.00 N ATOM 0 H ARG A 115 -9.991 -14.611 -10.994 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.345 -11.855 -11.559 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.983 -13.503 -12.237 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -12.186 -14.069 -10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -14.078 -12.731 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -13.004 -11.676 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.794 -10.324 -11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.186 -10.799 -12.323 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.694 -12.758 -13.473 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -14.034 -9.246 -13.343 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -14.843 -9.149 -14.911 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -14.734 -12.627 -15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.238 -11.056 -16.120 1.00 0.00 H new ATOM 1707 N ALA A 116 -10.759 -12.812 -8.417 1.00 0.00 N ATOM 1708 CA ALA A 116 -10.813 -12.327 -7.044 1.00 0.00 C ATOM 1709 C ALA A 116 -9.697 -11.325 -6.771 1.00 0.00 C ATOM 1710 O ALA A 116 -9.915 -10.297 -6.130 1.00 0.00 O ATOM 1711 CB ALA A 116 -10.730 -13.492 -6.069 1.00 0.00 C ATOM 0 H ALA A 116 -10.794 -13.827 -8.507 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.766 -11.817 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.771 -13.115 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.566 -14.170 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.793 -14.027 -6.220 1.00 0.00 H new ATOM 1717 N ALA A 117 -8.499 -11.632 -7.261 1.00 0.00 N ATOM 1718 CA ALA A 117 -7.349 -10.758 -7.070 1.00 0.00 C ATOM 1719 C ALA A 117 -7.593 -9.386 -7.689 1.00 0.00 C ATOM 1720 O ALA A 117 -7.387 -8.359 -7.044 1.00 0.00 O ATOM 1721 CB ALA A 117 -6.100 -11.392 -7.665 1.00 0.00 C ATOM 0 H ALA A 117 -8.301 -12.480 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.201 -10.623 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.248 -10.728 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.907 -12.346 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.249 -11.556 -8.732 1.00 0.00 H new ATOM 1727 N GLN A 118 -8.034 -9.377 -8.943 1.00 0.00 N ATOM 1728 CA GLN A 118 -8.305 -8.130 -9.649 1.00 0.00 C ATOM 1729 C GLN A 118 -9.252 -7.245 -8.844 1.00 0.00 C ATOM 1730 O GLN A 118 -8.905 -6.123 -8.473 1.00 0.00 O ATOM 1731 CB GLN A 118 -8.904 -8.419 -11.026 1.00 0.00 C ATOM 1732 CG GLN A 118 -7.981 -9.212 -11.937 1.00 0.00 C ATOM 1733 CD GLN A 118 -8.192 -8.892 -13.404 1.00 0.00 C ATOM 1734 OE1 GLN A 118 -9.140 -8.195 -13.769 1.00 0.00 O ATOM 1735 NE2 GLN A 118 -7.308 -9.400 -14.254 1.00 0.00 N ATOM 0 H GLN A 118 -8.211 -10.219 -9.491 1.00 0.00 H new ATOM 0 HA GLN A 118 -7.361 -7.600 -9.776 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.836 -8.969 -10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.155 -7.475 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.945 -9.003 -11.669 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.144 -10.277 -11.774 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.538 -9.972 -13.908 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.399 -9.218 -15.254 1.00 0.00 H new ATOM 1744 N LEU A 119 -10.449 -7.756 -8.580 1.00 0.00 N ATOM 1745 CA LEU A 119 -11.447 -7.011 -7.820 1.00 0.00 C ATOM 1746 C LEU A 119 -10.790 -6.194 -6.712 1.00 0.00 C ATOM 1747 O LEU A 119 -11.106 -5.019 -6.520 1.00 0.00 O ATOM 1748 CB LEU A 119 -12.479 -7.968 -7.220 1.00 0.00 C ATOM 1749 CG LEU A 119 -13.196 -8.887 -8.210 1.00 0.00 C ATOM 1750 CD1 LEU A 119 -14.044 -9.910 -7.470 1.00 0.00 C ATOM 1751 CD2 LEU A 119 -14.054 -8.074 -9.169 1.00 0.00 C ATOM 0 H LEU A 119 -10.752 -8.682 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.950 -6.325 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -11.980 -8.588 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.229 -7.378 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 119 -12.444 -9.420 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.547 -10.555 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -13.405 -10.514 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -14.788 -9.395 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.556 -8.745 -9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.799 -7.513 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -13.422 -7.381 -9.724 1.00 0.00 H new ATOM 1763 N TYR A 120 -9.874 -6.824 -5.985 1.00 0.00 N ATOM 1764 CA TYR A 120 -9.171 -6.156 -4.895 1.00 0.00 C ATOM 1765 C TYR A 120 -8.454 -4.906 -5.395 1.00 0.00 C ATOM 1766 O TYR A 120 -8.802 -3.785 -5.021 1.00 0.00 O ATOM 1767 CB TYR A 120 -8.166 -7.110 -4.248 1.00 0.00 C ATOM 1768 CG TYR A 120 -7.601 -6.598 -2.942 1.00 0.00 C ATOM 1769 CD1 TYR A 120 -6.648 -5.588 -2.922 1.00 0.00 C ATOM 1770 CD2 TYR A 120 -8.020 -7.127 -1.726 1.00 0.00 C ATOM 1771 CE1 TYR A 120 -6.129 -5.119 -1.731 1.00 0.00 C ATOM 1772 CE2 TYR A 120 -7.508 -6.663 -0.531 1.00 0.00 C ATOM 1773 CZ TYR A 120 -6.562 -5.659 -0.539 1.00 0.00 C ATOM 1774 OH TYR A 120 -6.047 -5.193 0.650 1.00 0.00 O ATOM 0 H TYR A 120 -9.601 -7.796 -6.130 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.908 -5.856 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -8.650 -8.071 -4.073 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -7.346 -7.288 -4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.307 -5.162 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.759 -7.915 -1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -5.388 -4.333 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.846 -7.083 0.405 1.00 0.00 H new ATOM 0 HH TYR A 120 -5.526 -5.902 1.081 1.00 0.00 H new ATOM 1784 N ARG A 121 -7.450 -5.105 -6.242 1.00 0.00 N ATOM 1785 CA ARG A 121 -6.682 -3.996 -6.793 1.00 0.00 C ATOM 1786 C ARG A 121 -7.573 -2.777 -7.018 1.00 0.00 C ATOM 1787 O ARG A 121 -7.391 -1.738 -6.385 1.00 0.00 O ATOM 1788 CB ARG A 121 -6.023 -4.408 -8.110 1.00 0.00 C ATOM 1789 CG ARG A 121 -5.308 -5.747 -8.040 1.00 0.00 C ATOM 1790 CD ARG A 121 -4.553 -6.045 -9.326 1.00 0.00 C ATOM 1791 NE ARG A 121 -5.340 -5.712 -10.511 1.00 0.00 N ATOM 1792 CZ ARG A 121 -4.809 -5.509 -11.712 1.00 0.00 C ATOM 1793 NH1 ARG A 121 -3.498 -5.606 -11.886 1.00 0.00 N ATOM 1794 NH2 ARG A 121 -5.590 -5.210 -12.742 1.00 0.00 N ATOM 0 H ARG A 121 -7.149 -6.026 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.907 -3.731 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.784 -4.452 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.309 -3.639 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.612 -5.746 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.033 -6.538 -7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.621 -5.480 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.286 -7.101 -9.353 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.352 -5.631 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.894 -5.837 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.093 -5.450 -12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.599 -5.136 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.181 -5.054 -13.664 1.00 0.00 H new ATOM 1808 N GLU A 122 -8.537 -2.914 -7.924 1.00 0.00 N ATOM 1809 CA GLU A 122 -9.455 -1.824 -8.233 1.00 0.00 C ATOM 1810 C GLU A 122 -9.996 -1.189 -6.955 1.00 0.00 C ATOM 1811 O GLU A 122 -9.853 0.014 -6.736 1.00 0.00 O ATOM 1812 CB GLU A 122 -10.614 -2.331 -9.093 1.00 0.00 C ATOM 1813 CG GLU A 122 -10.168 -2.987 -10.389 1.00 0.00 C ATOM 1814 CD GLU A 122 -9.732 -1.978 -11.434 1.00 0.00 C ATOM 1815 OE1 GLU A 122 -9.201 -0.917 -11.049 1.00 0.00 O ATOM 1816 OE2 GLU A 122 -9.923 -2.252 -12.638 1.00 0.00 O ATOM 0 H GLU A 122 -8.702 -3.768 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.903 -1.066 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -11.198 -3.047 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.274 -1.496 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.343 -3.669 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.986 -3.587 -10.788 1.00 0.00 H new ATOM 1823 N LYS A 123 -10.618 -2.007 -6.112 1.00 0.00 N ATOM 1824 CA LYS A 123 -11.180 -1.529 -4.854 1.00 0.00 C ATOM 1825 C LYS A 123 -10.239 -0.534 -4.182 1.00 0.00 C ATOM 1826 O LYS A 123 -10.622 0.603 -3.900 1.00 0.00 O ATOM 1827 CB LYS A 123 -11.453 -2.705 -3.914 1.00 0.00 C ATOM 1828 CG LYS A 123 -11.959 -2.284 -2.546 1.00 0.00 C ATOM 1829 CD LYS A 123 -12.863 -3.343 -1.936 1.00 0.00 C ATOM 1830 CE LYS A 123 -14.319 -3.120 -2.318 1.00 0.00 C ATOM 1831 NZ LYS A 123 -15.204 -4.190 -1.779 1.00 0.00 N ATOM 0 H LYS A 123 -10.746 -3.005 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.120 -1.022 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.186 -3.366 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.536 -3.282 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -11.112 -2.102 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.504 -1.344 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.545 -4.331 -2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.764 -3.326 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -14.649 -2.152 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -14.409 -3.087 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -16.187 -4.002 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -14.905 -5.111 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -15.138 -4.205 -0.741 1.00 0.00 H new ATOM 1845 N ILE A 124 -9.009 -0.968 -3.929 1.00 0.00 N ATOM 1846 CA ILE A 124 -8.014 -0.113 -3.292 1.00 0.00 C ATOM 1847 C ILE A 124 -7.949 1.252 -3.967 1.00 0.00 C ATOM 1848 O ILE A 124 -7.755 2.275 -3.309 1.00 0.00 O ATOM 1849 CB ILE A 124 -6.616 -0.757 -3.324 1.00 0.00 C ATOM 1850 CG1 ILE A 124 -6.594 -2.025 -2.468 1.00 0.00 C ATOM 1851 CG2 ILE A 124 -5.566 0.234 -2.843 1.00 0.00 C ATOM 1852 CD1 ILE A 124 -7.038 -1.796 -1.040 1.00 0.00 C ATOM 0 H ILE A 124 -8.677 -1.906 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.323 0.013 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 124 -6.382 -1.033 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.240 -2.774 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.584 -2.434 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.583 -0.235 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -5.569 1.110 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.794 0.538 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.998 -2.737 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -6.377 -1.070 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -8.059 -1.415 -1.033 1.00 0.00 H new ATOM 1864 N LYS A 125 -8.113 1.263 -5.286 1.00 0.00 N ATOM 1865 CA LYS A 125 -8.077 2.502 -6.052 1.00 0.00 C ATOM 1866 C LYS A 125 -9.141 3.478 -5.560 1.00 0.00 C ATOM 1867 O LYS A 125 -8.844 4.630 -5.246 1.00 0.00 O ATOM 1868 CB LYS A 125 -8.284 2.212 -7.541 1.00 0.00 C ATOM 1869 CG LYS A 125 -7.748 3.302 -8.453 1.00 0.00 C ATOM 1870 CD LYS A 125 -7.558 2.797 -9.874 1.00 0.00 C ATOM 1871 CE LYS A 125 -6.402 3.501 -10.566 1.00 0.00 C ATOM 1872 NZ LYS A 125 -6.593 3.561 -12.041 1.00 0.00 N ATOM 0 H LYS A 125 -8.272 0.426 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.098 2.959 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -7.797 1.269 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -9.349 2.081 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -8.437 4.147 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.797 3.667 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -7.374 1.723 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -8.474 2.955 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -6.304 4.512 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.472 2.979 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -5.784 4.048 -12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -6.661 2.596 -12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -7.467 4.081 -12.257 1.00 0.00 H new ATOM 1886 N SER A 126 -10.383 3.008 -5.494 1.00 0.00 N ATOM 1887 CA SER A 126 -11.492 3.840 -5.043 1.00 0.00 C ATOM 1888 C SER A 126 -11.236 4.370 -3.635 1.00 0.00 C ATOM 1889 O SER A 126 -11.088 5.574 -3.430 1.00 0.00 O ATOM 1890 CB SER A 126 -12.799 3.044 -5.072 1.00 0.00 C ATOM 1891 OG SER A 126 -13.138 2.669 -6.395 1.00 0.00 O ATOM 0 H SER A 126 -10.646 2.056 -5.747 1.00 0.00 H new ATOM 0 HA SER A 126 -11.577 4.689 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 126 -12.700 2.153 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 126 -13.603 3.643 -4.643 1.00 0.00 H new ATOM 0 HG SER A 126 -13.976 2.160 -6.386 1.00 0.00 H new ATOM 1897 N LEU A 127 -11.186 3.459 -2.668 1.00 0.00 N ATOM 1898 CA LEU A 127 -10.948 3.832 -1.278 1.00 0.00 C ATOM 1899 C LEU A 127 -9.765 4.789 -1.167 1.00 0.00 C ATOM 1900 O LEU A 127 -9.882 5.871 -0.591 1.00 0.00 O ATOM 1901 CB LEU A 127 -10.692 2.585 -0.431 1.00 0.00 C ATOM 1902 CG LEU A 127 -11.766 1.498 -0.496 1.00 0.00 C ATOM 1903 CD1 LEU A 127 -11.248 0.200 0.106 1.00 0.00 C ATOM 1904 CD2 LEU A 127 -13.028 1.954 0.220 1.00 0.00 C ATOM 0 H LEU A 127 -11.307 2.458 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 127 -11.838 4.339 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -9.742 2.149 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -10.578 2.893 0.608 1.00 0.00 H new ATOM 0 HG LEU A 127 -12.011 1.317 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -12.025 -0.562 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -10.372 -0.135 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -10.975 0.366 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -13.782 1.169 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -12.798 2.163 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.410 2.858 -0.255 1.00 0.00 H new ATOM 1916 N ALA A 128 -8.628 4.383 -1.721 1.00 0.00 N ATOM 1917 CA ALA A 128 -7.425 5.205 -1.687 1.00 0.00 C ATOM 1918 C ALA A 128 -7.770 6.687 -1.799 1.00 0.00 C ATOM 1919 O ALA A 128 -7.095 7.536 -1.218 1.00 0.00 O ATOM 1920 CB ALA A 128 -6.474 4.797 -2.803 1.00 0.00 C ATOM 0 H ALA A 128 -8.515 3.489 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.932 5.044 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.580 5.420 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -6.193 3.751 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.966 4.928 -3.767 1.00 0.00 H new ATOM 1926 N SER A 129 -8.823 6.989 -2.551 1.00 0.00 N ATOM 1927 CA SER A 129 -9.255 8.369 -2.742 1.00 0.00 C ATOM 1928 C SER A 129 -9.903 8.917 -1.475 1.00 0.00 C ATOM 1929 O SER A 129 -9.618 10.037 -1.054 1.00 0.00 O ATOM 1930 CB SER A 129 -10.236 8.461 -3.912 1.00 0.00 C ATOM 1931 OG SER A 129 -11.537 8.057 -3.520 1.00 0.00 O ATOM 0 H SER A 129 -9.393 6.297 -3.038 1.00 0.00 H new ATOM 0 HA SER A 129 -8.375 8.971 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 129 -10.267 9.485 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 129 -9.888 7.833 -4.732 1.00 0.00 H new ATOM 0 HG SER A 129 -11.496 7.160 -3.127 1.00 0.00 H new ATOM 1937 N GLN A 130 -10.778 8.117 -0.872 1.00 0.00 N ATOM 1938 CA GLN A 130 -11.469 8.521 0.347 1.00 0.00 C ATOM 1939 C GLN A 130 -10.493 9.133 1.347 1.00 0.00 C ATOM 1940 O GLN A 130 -10.879 9.944 2.189 1.00 0.00 O ATOM 1941 CB GLN A 130 -12.179 7.323 0.977 1.00 0.00 C ATOM 1942 CG GLN A 130 -11.329 6.576 1.992 1.00 0.00 C ATOM 1943 CD GLN A 130 -12.153 5.681 2.897 1.00 0.00 C ATOM 1944 OE1 GLN A 130 -13.371 5.580 2.749 1.00 0.00 O ATOM 1945 NE2 GLN A 130 -11.490 5.026 3.843 1.00 0.00 N ATOM 0 H GLN A 130 -11.025 7.186 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 130 -12.211 9.275 0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -13.092 7.667 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.478 6.633 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -10.589 5.972 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -10.780 7.295 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -10.480 5.139 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -11.991 4.410 4.483 1.00 0.00 H new ATOM 1954 N ALA A 131 -9.227 8.739 1.249 1.00 0.00 N ATOM 1955 CA ALA A 131 -8.197 9.249 2.144 1.00 0.00 C ATOM 1956 C ALA A 131 -7.323 10.283 1.443 1.00 0.00 C ATOM 1957 O ALA A 131 -6.666 11.100 2.089 1.00 0.00 O ATOM 1958 CB ALA A 131 -7.344 8.106 2.674 1.00 0.00 C ATOM 0 H ALA A 131 -8.891 8.068 0.558 1.00 0.00 H new ATOM 0 HA ALA A 131 -8.691 9.738 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -6.579 8.502 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -7.974 7.405 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -6.867 7.591 1.840 1.00 0.00 H new ATOM 1964 N THR A 132 -7.318 10.243 0.114 1.00 0.00 N ATOM 1965 CA THR A 132 -6.523 11.175 -0.677 1.00 0.00 C ATOM 1966 C THR A 132 -7.357 12.371 -1.120 1.00 0.00 C ATOM 1967 O THR A 132 -7.057 13.512 -0.769 1.00 0.00 O ATOM 1968 CB THR A 132 -5.927 10.489 -1.921 1.00 0.00 C ATOM 1969 OG1 THR A 132 -4.876 9.598 -1.533 1.00 0.00 O ATOM 1970 CG2 THR A 132 -5.388 11.521 -2.901 1.00 0.00 C ATOM 0 H THR A 132 -7.856 9.575 -0.438 1.00 0.00 H new ATOM 0 HA THR A 132 -5.711 11.520 -0.037 1.00 0.00 H new ATOM 0 HB THR A 132 -6.719 9.923 -2.412 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.229 8.686 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 132 -4.972 11.014 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 132 -6.197 12.180 -3.217 1.00 0.00 H new ATOM 0 HG23 THR A 132 -4.608 12.110 -2.417 1.00 0.00 H new ATOM 1978 N ARG A 133 -8.405 12.102 -1.891 1.00 0.00 N ATOM 1979 CA ARG A 133 -9.283 13.158 -2.382 1.00 0.00 C ATOM 1980 C ARG A 133 -9.892 13.941 -1.224 1.00 0.00 C ATOM 1981 O ARG A 133 -10.121 15.147 -1.326 1.00 0.00 O ATOM 1982 CB ARG A 133 -10.393 12.565 -3.251 1.00 0.00 C ATOM 1983 CG ARG A 133 -11.607 13.468 -3.389 1.00 0.00 C ATOM 1984 CD ARG A 133 -12.642 13.180 -2.312 1.00 0.00 C ATOM 1985 NE ARG A 133 -13.795 14.069 -2.409 1.00 0.00 N ATOM 1986 CZ ARG A 133 -13.843 15.275 -1.852 1.00 0.00 C ATOM 1987 NH1 ARG A 133 -12.808 15.732 -1.162 1.00 0.00 N ATOM 1988 NH2 ARG A 133 -14.930 16.026 -1.985 1.00 0.00 N ATOM 0 H ARG A 133 -8.667 11.162 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 133 -8.685 13.841 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.993 12.354 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -10.706 11.612 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.295 14.511 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -12.056 13.328 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -12.974 12.145 -2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.182 13.288 -1.330 1.00 0.00 H new ATOM 0 HE ARG A 133 -14.609 13.747 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -11.971 15.158 -1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -12.848 16.658 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.729 15.678 -2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -14.966 16.951 -1.557 1.00 0.00 H new ATOM 2002 N LYS A 134 -10.153 13.249 -0.121 1.00 0.00 N ATOM 2003 CA LYS A 134 -10.736 13.877 1.059 1.00 0.00 C ATOM 2004 C LYS A 134 -10.291 15.331 1.176 1.00 0.00 C ATOM 2005 O LYS A 134 -11.104 16.251 1.078 1.00 0.00 O ATOM 2006 CB LYS A 134 -10.340 13.108 2.321 1.00 0.00 C ATOM 2007 CG LYS A 134 -11.373 13.186 3.432 1.00 0.00 C ATOM 2008 CD LYS A 134 -11.053 12.222 4.561 1.00 0.00 C ATOM 2009 CE LYS A 134 -11.923 12.484 5.781 1.00 0.00 C ATOM 2010 NZ LYS A 134 -11.706 11.466 6.846 1.00 0.00 N ATOM 0 H LYS A 134 -9.970 12.251 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 134 -11.821 13.854 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -10.176 12.062 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -9.391 13.497 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.413 14.203 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.360 12.960 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -11.202 11.198 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.002 12.317 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -11.704 13.476 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -12.972 12.483 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -12.317 11.680 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -11.939 10.522 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -10.710 11.484 7.146 1.00 0.00 H new ATOM 2024 N HIS A 135 -8.993 15.533 1.384 1.00 0.00 N ATOM 2025 CA HIS A 135 -8.439 16.876 1.513 1.00 0.00 C ATOM 2026 C HIS A 135 -7.317 17.100 0.504 1.00 0.00 C ATOM 2027 O HIS A 135 -7.255 18.140 -0.149 1.00 0.00 O ATOM 2028 CB HIS A 135 -7.916 17.101 2.932 1.00 0.00 C ATOM 2029 CG HIS A 135 -8.978 17.522 3.902 1.00 0.00 C ATOM 2030 ND1 HIS A 135 -8.755 18.428 4.916 1.00 0.00 N ATOM 2031 CD2 HIS A 135 -10.277 17.155 4.006 1.00 0.00 C ATOM 2032 CE1 HIS A 135 -9.869 18.599 5.604 1.00 0.00 C ATOM 2033 NE2 HIS A 135 -10.809 17.838 5.072 1.00 0.00 N ATOM 0 H HIS A 135 -8.306 14.784 1.467 1.00 0.00 H new ATOM 0 HA HIS A 135 -9.236 17.592 1.310 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -7.453 16.182 3.290 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.136 17.862 2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -10.798 16.455 3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -9.991 19.250 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -11.773 17.769 5.400 1.00 0.00 H new ATOM 2041 N GLY A 136 -6.431 16.115 0.382 1.00 0.00 N ATOM 2042 CA GLY A 136 -5.323 16.224 -0.548 1.00 0.00 C ATOM 2043 C GLY A 136 -4.150 16.987 0.034 1.00 0.00 C ATOM 2044 O GLY A 136 -4.333 17.930 0.804 1.00 0.00 O ATOM 0 H GLY A 136 -6.462 15.244 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -4.995 15.225 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -5.662 16.723 -1.456 1.00 0.00 H new ATOM 2048 N THR A 137 -2.939 16.576 -0.331 1.00 0.00 N ATOM 2049 CA THR A 137 -1.731 17.226 0.162 1.00 0.00 C ATOM 2050 C THR A 137 -1.911 17.703 1.598 1.00 0.00 C ATOM 2051 O THR A 137 -1.524 18.819 1.945 1.00 0.00 O ATOM 2052 CB THR A 137 -1.337 18.425 -0.721 1.00 0.00 C ATOM 2053 OG1 THR A 137 -2.395 19.391 -0.735 1.00 0.00 O ATOM 2054 CG2 THR A 137 -1.034 17.975 -2.142 1.00 0.00 C ATOM 0 H THR A 137 -2.769 15.796 -0.966 1.00 0.00 H new ATOM 0 HA THR A 137 -0.935 16.482 0.126 1.00 0.00 H new ATOM 0 HB THR A 137 -0.438 18.877 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.137 20.151 -1.297 1.00 0.00 H new ATOM 0 HG21 THR A 137 -0.758 18.839 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 137 -0.209 17.263 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 137 -1.917 17.500 -2.569 1.00 0.00 H new ATOM 2062 N ASP A 138 -2.500 16.851 2.431 1.00 0.00 N ATOM 2063 CA ASP A 138 -2.730 17.186 3.832 1.00 0.00 C ATOM 2064 C ASP A 138 -3.203 15.964 4.612 1.00 0.00 C ATOM 2065 O ASP A 138 -4.338 15.514 4.452 1.00 0.00 O ATOM 2066 CB ASP A 138 -3.759 18.311 3.947 1.00 0.00 C ATOM 2067 CG ASP A 138 -3.841 18.879 5.350 1.00 0.00 C ATOM 2068 OD1 ASP A 138 -3.034 19.776 5.675 1.00 0.00 O ATOM 2069 OD2 ASP A 138 -4.711 18.428 6.124 1.00 0.00 O ATOM 0 H ASP A 138 -2.827 15.923 2.160 1.00 0.00 H new ATOM 0 HA ASP A 138 -1.786 17.524 4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -3.501 19.108 3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -4.739 17.935 3.653 1.00 0.00 H new ATOM 2074 N LEU A 139 -2.326 15.430 5.454 1.00 0.00 N ATOM 2075 CA LEU A 139 -2.654 14.259 6.259 1.00 0.00 C ATOM 2076 C LEU A 139 -3.993 14.441 6.967 1.00 0.00 C ATOM 2077 O LEU A 139 -4.067 15.067 8.025 1.00 0.00 O ATOM 2078 CB LEU A 139 -1.552 13.997 7.288 1.00 0.00 C ATOM 2079 CG LEU A 139 -0.316 13.257 6.774 1.00 0.00 C ATOM 2080 CD1 LEU A 139 0.750 14.246 6.327 1.00 0.00 C ATOM 2081 CD2 LEU A 139 0.233 12.328 7.847 1.00 0.00 C ATOM 0 H LEU A 139 -1.382 15.789 5.597 1.00 0.00 H new ATOM 0 HA LEU A 139 -2.731 13.401 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.233 14.954 7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.979 13.423 8.110 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.608 12.654 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.622 13.702 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.354 14.871 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.039 14.875 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.112 11.810 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.509 12.910 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.529 11.598 8.120 1.00 0.00 H new ATOM 2093 N TRP A 140 -5.048 13.890 6.377 1.00 0.00 N ATOM 2094 CA TRP A 140 -6.384 13.991 6.953 1.00 0.00 C ATOM 2095 C TRP A 140 -6.317 14.064 8.474 1.00 0.00 C ATOM 2096 O TRP A 140 -6.929 14.938 9.091 1.00 0.00 O ATOM 2097 CB TRP A 140 -7.237 12.796 6.525 1.00 0.00 C ATOM 2098 CG TRP A 140 -6.908 11.535 7.267 1.00 0.00 C ATOM 2099 CD1 TRP A 140 -7.645 10.951 8.257 1.00 0.00 C ATOM 2100 CD2 TRP A 140 -5.757 10.705 7.077 1.00 0.00 C ATOM 2101 NE1 TRP A 140 -7.020 9.808 8.696 1.00 0.00 N ATOM 2102 CE2 TRP A 140 -5.861 9.634 7.986 1.00 0.00 C ATOM 2103 CE3 TRP A 140 -4.650 10.760 6.226 1.00 0.00 C ATOM 2104 CZ2 TRP A 140 -4.900 8.631 8.068 1.00 0.00 C ATOM 2105 CZ3 TRP A 140 -3.697 9.764 6.308 1.00 0.00 C ATOM 2106 CH2 TRP A 140 -3.826 8.711 7.224 1.00 0.00 C ATOM 0 H TRP A 140 -5.004 13.369 5.501 1.00 0.00 H new ATOM 0 HA TRP A 140 -6.843 14.908 6.584 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -8.289 13.036 6.679 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -7.102 12.626 5.457 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -8.581 11.331 8.639 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -7.363 9.190 9.431 1.00 0.00 H new ATOM 0 HE3 TRP A 140 -4.542 11.567 5.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -4.998 7.818 8.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 -2.837 9.797 5.655 1.00 0.00 H new ATOM 0 HH2 TRP A 140 -3.063 7.948 7.264 1.00 0.00 H new ATOM 2117 N LEU A 141 -5.572 13.144 9.075 1.00 0.00 N ATOM 2118 CA LEU A 141 -5.425 13.106 10.526 1.00 0.00 C ATOM 2119 C LEU A 141 -4.366 14.099 10.993 1.00 0.00 C ATOM 2120 O LEU A 141 -3.367 14.324 10.309 1.00 0.00 O ATOM 2121 CB LEU A 141 -5.053 11.694 10.983 1.00 0.00 C ATOM 2122 CG LEU A 141 -3.563 11.348 10.951 1.00 0.00 C ATOM 2123 CD1 LEU A 141 -3.231 10.317 12.018 1.00 0.00 C ATOM 2124 CD2 LEU A 141 -3.164 10.841 9.573 1.00 0.00 C ATOM 0 H LEU A 141 -5.060 12.414 8.580 1.00 0.00 H new ATOM 0 HA LEU A 141 -6.380 13.386 10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -5.416 11.556 12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -5.585 10.979 10.356 1.00 0.00 H new ATOM 0 HG LEU A 141 -2.994 12.254 11.162 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.167 10.084 11.980 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -3.480 10.718 13.001 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.808 9.410 11.839 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.101 10.600 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -3.740 9.947 9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -3.364 11.612 8.829 1.00 0.00 H new ATOM 2136 N ASP A 142 -4.590 14.689 12.161 1.00 0.00 N ATOM 2137 CA ASP A 142 -3.654 15.657 12.722 1.00 0.00 C ATOM 2138 C ASP A 142 -3.861 15.804 14.226 1.00 0.00 C ATOM 2139 O ASP A 142 -4.980 16.013 14.692 1.00 0.00 O ATOM 2140 CB ASP A 142 -3.819 17.014 12.037 1.00 0.00 C ATOM 2141 CG ASP A 142 -2.807 18.034 12.521 1.00 0.00 C ATOM 2142 OD1 ASP A 142 -1.680 17.629 12.876 1.00 0.00 O ATOM 2143 OD2 ASP A 142 -3.142 19.236 12.547 1.00 0.00 O ATOM 0 H ASP A 142 -5.412 14.514 12.739 1.00 0.00 H new ATOM 0 HA ASP A 142 -2.642 15.291 12.547 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -3.717 16.888 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -4.826 17.390 12.220 1.00 0.00 H new ATOM 2148 N SER A 143 -2.772 15.693 14.982 1.00 0.00 N ATOM 2149 CA SER A 143 -2.835 15.809 16.434 1.00 0.00 C ATOM 2150 C SER A 143 -2.144 17.083 16.908 1.00 0.00 C ATOM 2151 O SER A 143 -2.655 17.796 17.772 1.00 0.00 O ATOM 2152 CB SER A 143 -2.187 14.590 17.092 1.00 0.00 C ATOM 2153 OG SER A 143 -0.877 14.377 16.596 1.00 0.00 O ATOM 0 H SER A 143 -1.837 15.523 14.613 1.00 0.00 H new ATOM 0 HA SER A 143 -3.884 15.856 16.725 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.151 14.732 18.172 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.797 13.706 16.907 1.00 0.00 H new ATOM 0 HG SER A 143 -0.485 13.593 17.034 1.00 0.00 H new ATOM 2159 N SER A 144 -0.977 17.364 16.334 1.00 0.00 N ATOM 2160 CA SER A 144 -0.212 18.552 16.699 1.00 0.00 C ATOM 2161 C SER A 144 -0.187 19.556 15.551 1.00 0.00 C ATOM 2162 O SER A 144 -0.515 20.728 15.730 1.00 0.00 O ATOM 2163 CB SER A 144 1.217 18.164 17.085 1.00 0.00 C ATOM 2164 OG SER A 144 1.872 19.231 17.750 1.00 0.00 O ATOM 0 H SER A 144 -0.541 16.786 15.615 1.00 0.00 H new ATOM 0 HA SER A 144 -0.698 19.019 17.555 1.00 0.00 H new ATOM 0 HB2 SER A 144 1.197 17.286 17.731 1.00 0.00 H new ATOM 0 HB3 SER A 144 1.777 17.890 16.191 1.00 0.00 H new ATOM 0 HG SER A 144 2.783 18.958 17.988 1.00 0.00 H new ATOM 2170 N GLY A 145 0.207 19.086 14.372 1.00 0.00 N ATOM 2171 CA GLY A 145 0.269 19.955 13.210 1.00 0.00 C ATOM 2172 C GLY A 145 1.659 20.019 12.607 1.00 0.00 C ATOM 2173 O GLY A 145 2.663 20.088 13.316 1.00 0.00 O ATOM 0 H GLY A 145 0.484 18.120 14.200 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -0.434 19.600 12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -0.047 20.959 13.494 1.00 0.00 H new ATOM 2177 N PRO A 146 1.728 19.994 11.269 1.00 0.00 N ATOM 2178 CA PRO A 146 3.000 20.048 10.541 1.00 0.00 C ATOM 2179 C PRO A 146 3.673 21.413 10.649 1.00 0.00 C ATOM 2180 O PRO A 146 3.057 22.442 10.372 1.00 0.00 O ATOM 2181 CB PRO A 146 2.593 19.765 9.092 1.00 0.00 C ATOM 2182 CG PRO A 146 1.168 20.194 9.009 1.00 0.00 C ATOM 2183 CD PRO A 146 0.571 19.912 10.361 1.00 0.00 C ATOM 0 HA PRO A 146 3.727 19.341 10.939 1.00 0.00 H new ATOM 0 HB2 PRO A 146 3.215 20.320 8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 146 2.703 18.708 8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 146 1.093 21.253 8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 146 0.641 19.647 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -0.196 20.641 10.621 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.102 18.929 10.396 1.00 0.00 H new ATOM 2191 N SER A 147 4.939 21.413 11.053 1.00 0.00 N ATOM 2192 CA SER A 147 5.694 22.653 11.200 1.00 0.00 C ATOM 2193 C SER A 147 6.288 23.089 9.864 1.00 0.00 C ATOM 2194 O SER A 147 6.636 22.258 9.026 1.00 0.00 O ATOM 2195 CB SER A 147 6.808 22.476 12.233 1.00 0.00 C ATOM 2196 OG SER A 147 7.662 23.606 12.260 1.00 0.00 O ATOM 0 H SER A 147 5.464 20.569 11.284 1.00 0.00 H new ATOM 0 HA SER A 147 5.009 23.428 11.543 1.00 0.00 H new ATOM 0 HB2 SER A 147 6.372 22.322 13.220 1.00 0.00 H new ATOM 0 HB3 SER A 147 7.388 21.583 11.998 1.00 0.00 H new ATOM 0 HG SER A 147 8.365 23.469 12.929 1.00 0.00 H new ATOM 2202 N SER A 148 6.399 24.400 9.673 1.00 0.00 N ATOM 2203 CA SER A 148 6.947 24.948 8.438 1.00 0.00 C ATOM 2204 C SER A 148 8.393 25.394 8.636 1.00 0.00 C ATOM 2205 O SER A 148 8.705 26.128 9.572 1.00 0.00 O ATOM 2206 CB SER A 148 6.099 26.129 7.959 1.00 0.00 C ATOM 2207 OG SER A 148 6.211 26.300 6.557 1.00 0.00 O ATOM 0 H SER A 148 6.117 25.102 10.357 1.00 0.00 H new ATOM 0 HA SER A 148 6.927 24.164 7.681 1.00 0.00 H new ATOM 0 HB2 SER A 148 5.055 25.964 8.226 1.00 0.00 H new ATOM 0 HB3 SER A 148 6.418 27.039 8.466 1.00 0.00 H new ATOM 0 HG SER A 148 5.659 27.059 6.275 1.00 0.00 H new ATOM 2213 N GLY A 149 9.271 24.943 7.746 1.00 0.00 N ATOM 2214 CA GLY A 149 10.674 25.303 7.839 1.00 0.00 C ATOM 2215 C GLY A 149 11.512 24.660 6.752 1.00 0.00 C ATOM 2216 O GLY A 149 12.710 24.930 6.681 1.00 0.00 O ATOM 0 H GLY A 149 9.036 24.335 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 149 10.773 26.387 7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 149 11.058 25.004 8.814 1.00 0.00 H new TER 2220 GLY A 149 HETATM 2221 ZN ZN A 401 7.021 -12.914 2.069 1.00 0.00 ZN