USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 Single : A 1 GLY N :NH3+ -126:sc= 0.0659 (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 39:sc= 0.0389 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -56:sc= 1.09 USER MOD Single : A 11 GLN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -0.532 (180deg=-1.84!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -1.2 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.1!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.464 F(o=-1.7,f=-0.46) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 58 MET CE :methyl -147:sc= -0.905 (180deg=-3.21!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -141:sc= 0.109 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.3) USER MOD Single : A 81 SER OG : rot -158:sc= -0.376 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -49:sc= 0.826 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.497 14.440 7.434 1.00 0.00 N ATOM 2 CA GLY A 1 -20.074 14.316 7.013 1.00 0.00 C ATOM 3 C GLY A 1 -19.849 14.780 5.588 1.00 0.00 C ATOM 4 O GLY A 1 -20.725 15.399 4.982 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.552 14.993 8.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.039 14.920 6.688 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.895 13.493 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.447 14.901 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.760 13.277 7.107 1.00 0.00 H new ATOM 10 N SER A 2 -18.670 14.483 5.050 1.00 0.00 N ATOM 11 CA SER A 2 -18.331 14.874 3.686 1.00 0.00 C ATOM 12 C SER A 2 -18.382 16.390 3.527 1.00 0.00 C ATOM 13 O SER A 2 -18.690 16.901 2.450 1.00 0.00 O ATOM 14 CB SER A 2 -19.286 14.214 2.691 1.00 0.00 C ATOM 15 OG SER A 2 -18.915 12.868 2.443 1.00 0.00 O ATOM 0 H SER A 2 -17.934 13.973 5.538 1.00 0.00 H new ATOM 0 HA SER A 2 -17.315 14.538 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.303 14.248 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.285 14.773 1.755 1.00 0.00 H new ATOM 0 HG SER A 2 -19.542 12.468 1.805 1.00 0.00 H new ATOM 21 N SER A 3 -18.076 17.105 4.605 1.00 0.00 N ATOM 22 CA SER A 3 -18.086 18.564 4.585 1.00 0.00 C ATOM 23 C SER A 3 -17.635 19.130 5.927 1.00 0.00 C ATOM 24 O SER A 3 -18.219 18.827 6.967 1.00 0.00 O ATOM 25 CB SER A 3 -19.485 19.080 4.245 1.00 0.00 C ATOM 26 OG SER A 3 -19.420 20.227 3.414 1.00 0.00 O ATOM 0 H SER A 3 -17.818 16.698 5.504 1.00 0.00 H new ATOM 0 HA SER A 3 -17.387 18.897 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.053 18.296 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.019 19.323 5.164 1.00 0.00 H new ATOM 0 HG SER A 3 -20.328 20.535 3.210 1.00 0.00 H new ATOM 32 N GLY A 4 -16.593 19.954 5.896 1.00 0.00 N ATOM 33 CA GLY A 4 -16.082 20.549 7.117 1.00 0.00 C ATOM 34 C GLY A 4 -14.569 20.643 7.128 1.00 0.00 C ATOM 35 O GLY A 4 -13.878 19.628 7.221 1.00 0.00 O ATOM 0 H GLY A 4 -16.093 20.220 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.506 21.546 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.412 19.958 7.971 1.00 0.00 H new ATOM 39 N SER A 5 -14.053 21.863 7.030 1.00 0.00 N ATOM 40 CA SER A 5 -12.613 22.087 7.028 1.00 0.00 C ATOM 41 C SER A 5 -12.026 21.871 8.420 1.00 0.00 C ATOM 42 O SER A 5 -12.472 22.478 9.393 1.00 0.00 O ATOM 43 CB SER A 5 -12.297 23.502 6.540 1.00 0.00 C ATOM 44 OG SER A 5 -13.160 24.453 7.139 1.00 0.00 O ATOM 0 H SER A 5 -14.612 22.713 6.951 1.00 0.00 H new ATOM 0 HA SER A 5 -12.159 21.366 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.261 23.748 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.398 23.547 5.456 1.00 0.00 H new ATOM 0 HG SER A 5 -13.309 24.214 8.078 1.00 0.00 H new ATOM 50 N SER A 6 -11.023 21.003 8.505 1.00 0.00 N ATOM 51 CA SER A 6 -10.374 20.708 9.776 1.00 0.00 C ATOM 52 C SER A 6 -8.926 20.279 9.562 1.00 0.00 C ATOM 53 O SER A 6 -8.656 19.147 9.164 1.00 0.00 O ATOM 54 CB SER A 6 -11.138 19.610 10.520 1.00 0.00 C ATOM 55 OG SER A 6 -12.493 19.976 10.717 1.00 0.00 O ATOM 0 H SER A 6 -10.643 20.492 7.708 1.00 0.00 H new ATOM 0 HA SER A 6 -10.380 21.617 10.377 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.088 18.680 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.665 19.422 11.484 1.00 0.00 H new ATOM 0 HG SER A 6 -12.960 19.258 11.193 1.00 0.00 H new ATOM 61 N GLY A 7 -7.998 21.194 9.827 1.00 0.00 N ATOM 62 CA GLY A 7 -6.590 20.891 9.656 1.00 0.00 C ATOM 63 C GLY A 7 -5.961 20.321 10.912 1.00 0.00 C ATOM 64 O GLY A 7 -6.035 20.926 11.982 1.00 0.00 O ATOM 0 H GLY A 7 -8.197 22.139 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.472 20.179 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.059 21.798 9.367 1.00 0.00 H new ATOM 68 N LYS A 8 -5.339 19.153 10.783 1.00 0.00 N ATOM 69 CA LYS A 8 -4.694 18.500 11.915 1.00 0.00 C ATOM 70 C LYS A 8 -3.271 19.020 12.109 1.00 0.00 C ATOM 71 O LYS A 8 -2.897 19.432 13.208 1.00 0.00 O ATOM 72 CB LYS A 8 -4.675 16.983 11.715 1.00 0.00 C ATOM 73 CG LYS A 8 -5.094 16.200 12.949 1.00 0.00 C ATOM 74 CD LYS A 8 -6.388 15.434 12.714 1.00 0.00 C ATOM 75 CE LYS A 8 -6.228 14.398 11.613 1.00 0.00 C ATOM 76 NZ LYS A 8 -5.838 13.068 12.155 1.00 0.00 N ATOM 0 H LYS A 8 -5.268 18.640 9.904 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.270 18.733 12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.338 16.726 10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.670 16.676 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.303 15.503 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.223 16.884 13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.694 14.942 13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.182 16.131 12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.164 14.305 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.473 14.736 10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.739 12.390 11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.932 13.150 12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.570 12.733 12.813 1.00 0.00 H new ATOM 90 N PRO A 9 -2.454 19.010 11.041 1.00 0.00 N ATOM 91 CA PRO A 9 -1.068 19.484 11.104 1.00 0.00 C ATOM 92 C PRO A 9 -0.962 20.889 11.685 1.00 0.00 C ATOM 93 O PRO A 9 -0.196 21.131 12.617 1.00 0.00 O ATOM 94 CB PRO A 9 -0.619 19.475 9.641 1.00 0.00 C ATOM 95 CG PRO A 9 -1.492 18.465 8.982 1.00 0.00 C ATOM 96 CD PRO A 9 -2.815 18.538 9.691 1.00 0.00 C ATOM 0 HA PRO A 9 -0.455 18.860 11.754 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.737 20.458 9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.434 19.207 9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.606 18.681 7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.062 17.467 9.060 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.499 19.226 9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.308 17.566 9.723 1.00 0.00 H new ATOM 104 N SER A 10 -1.737 21.814 11.127 1.00 0.00 N ATOM 105 CA SER A 10 -1.732 23.199 11.587 1.00 0.00 C ATOM 106 C SER A 10 -0.360 23.835 11.390 1.00 0.00 C ATOM 107 O SER A 10 0.667 23.162 11.490 1.00 0.00 O ATOM 108 CB SER A 10 -2.138 23.271 13.062 1.00 0.00 C ATOM 109 OG SER A 10 -1.022 23.071 13.912 1.00 0.00 O ATOM 0 H SER A 10 -2.377 21.629 10.355 1.00 0.00 H new ATOM 0 HA SER A 10 -2.456 23.755 10.992 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.588 24.242 13.271 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.897 22.516 13.270 1.00 0.00 H new ATOM 0 HG SER A 10 -0.591 22.219 13.691 1.00 0.00 H new ATOM 115 N GLN A 11 -0.349 25.133 11.109 1.00 0.00 N ATOM 116 CA GLN A 11 0.898 25.859 10.898 1.00 0.00 C ATOM 117 C GLN A 11 1.680 25.268 9.729 1.00 0.00 C ATOM 118 O GLN A 11 1.434 24.136 9.314 1.00 0.00 O ATOM 119 CB GLN A 11 1.753 25.826 12.166 1.00 0.00 C ATOM 120 CG GLN A 11 1.085 26.479 13.366 1.00 0.00 C ATOM 121 CD GLN A 11 1.114 27.992 13.296 1.00 0.00 C ATOM 122 OE1 GLN A 11 0.069 28.645 13.295 1.00 0.00 O ATOM 123 NE2 GLN A 11 2.312 28.560 13.238 1.00 0.00 N ATOM 0 H GLN A 11 -1.190 25.704 11.022 1.00 0.00 H new ATOM 0 HA GLN A 11 0.651 26.894 10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.987 24.790 12.410 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.700 26.329 11.969 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.051 26.142 13.430 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.584 26.151 14.278 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.152 27.981 13.241 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.393 29.576 13.190 1.00 0.00 H new ATOM 132 N GLU A 12 2.623 26.043 9.203 1.00 0.00 N ATOM 133 CA GLU A 12 3.441 25.596 8.081 1.00 0.00 C ATOM 134 C GLU A 12 2.575 25.283 6.867 1.00 0.00 C ATOM 135 O GLU A 12 1.371 25.054 6.991 1.00 0.00 O ATOM 136 CB GLU A 12 4.252 24.360 8.476 1.00 0.00 C ATOM 137 CG GLU A 12 5.378 24.036 7.508 1.00 0.00 C ATOM 138 CD GLU A 12 6.181 22.822 7.933 1.00 0.00 C ATOM 139 OE1 GLU A 12 5.623 21.960 8.643 1.00 0.00 O ATOM 140 OE2 GLU A 12 7.368 22.734 7.554 1.00 0.00 O ATOM 0 H GLU A 12 2.840 26.983 9.535 1.00 0.00 H new ATOM 0 HA GLU A 12 4.125 26.403 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.672 24.514 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.583 23.502 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.961 23.862 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.042 24.897 7.428 1.00 0.00 H new ATOM 147 N GLY A 13 3.195 25.274 5.691 1.00 0.00 N ATOM 148 CA GLY A 13 2.465 24.988 4.469 1.00 0.00 C ATOM 149 C GLY A 13 3.358 24.432 3.378 1.00 0.00 C ATOM 150 O GLY A 13 4.375 25.033 3.031 1.00 0.00 O ATOM 0 H GLY A 13 4.190 25.460 5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.670 24.274 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.987 25.900 4.113 1.00 0.00 H new ATOM 154 N GLY A 14 2.979 23.279 2.835 1.00 0.00 N ATOM 155 CA GLY A 14 3.764 22.661 1.783 1.00 0.00 C ATOM 156 C GLY A 14 3.699 23.433 0.480 1.00 0.00 C ATOM 157 O GLY A 14 2.935 23.082 -0.419 1.00 0.00 O ATOM 0 H GLY A 14 2.142 22.762 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.802 22.586 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.407 21.644 1.617 1.00 0.00 H new ATOM 161 N LYS A 15 4.502 24.486 0.378 1.00 0.00 N ATOM 162 CA LYS A 15 4.532 25.311 -0.824 1.00 0.00 C ATOM 163 C LYS A 15 5.088 24.525 -2.009 1.00 0.00 C ATOM 164 O LYS A 15 4.445 24.421 -3.053 1.00 0.00 O ATOM 165 CB LYS A 15 5.377 26.564 -0.588 1.00 0.00 C ATOM 166 CG LYS A 15 4.898 27.408 0.582 1.00 0.00 C ATOM 167 CD LYS A 15 5.251 28.874 0.393 1.00 0.00 C ATOM 168 CE LYS A 15 4.271 29.781 1.121 1.00 0.00 C ATOM 169 NZ LYS A 15 4.930 31.015 1.633 1.00 0.00 N ATOM 0 H LYS A 15 5.141 24.789 1.113 1.00 0.00 H new ATOM 0 HA LYS A 15 3.509 25.609 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.411 26.267 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.369 27.173 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.818 27.304 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.347 27.041 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.260 29.057 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.251 29.115 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.461 30.056 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.822 29.237 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.228 31.606 2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.687 30.754 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.336 31.547 0.837 1.00 0.00 H new ATOM 183 N GLY A 16 6.284 23.973 -1.837 1.00 0.00 N ATOM 184 CA GLY A 16 6.905 23.203 -2.900 1.00 0.00 C ATOM 185 C GLY A 16 7.755 22.065 -2.373 1.00 0.00 C ATOM 186 O GLY A 16 8.727 21.661 -3.013 1.00 0.00 O ATOM 0 H GLY A 16 6.835 24.045 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.130 22.801 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.524 23.863 -3.508 1.00 0.00 H new ATOM 190 N GLY A 17 7.391 21.546 -1.206 1.00 0.00 N ATOM 191 CA GLY A 17 8.139 20.452 -0.615 1.00 0.00 C ATOM 192 C GLY A 17 7.875 19.128 -1.304 1.00 0.00 C ATOM 193 O GLY A 17 7.239 19.084 -2.358 1.00 0.00 O ATOM 0 H GLY A 17 6.591 21.863 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.204 20.677 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.879 20.367 0.440 1.00 0.00 H new ATOM 197 N SER A 18 8.362 18.045 -0.709 1.00 0.00 N ATOM 198 CA SER A 18 8.175 16.712 -1.272 1.00 0.00 C ATOM 199 C SER A 18 7.661 15.741 -0.215 1.00 0.00 C ATOM 200 O SER A 18 8.068 15.797 0.945 1.00 0.00 O ATOM 201 CB SER A 18 9.490 16.195 -1.859 1.00 0.00 C ATOM 202 OG SER A 18 10.588 16.539 -1.033 1.00 0.00 O ATOM 0 H SER A 18 8.890 18.063 0.164 1.00 0.00 H new ATOM 0 HA SER A 18 7.432 16.782 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.441 15.112 -1.971 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.636 16.612 -2.855 1.00 0.00 H new ATOM 0 HG SER A 18 11.416 16.196 -1.429 1.00 0.00 H new ATOM 208 N GLU A 19 6.762 14.850 -0.623 1.00 0.00 N ATOM 209 CA GLU A 19 6.191 13.867 0.288 1.00 0.00 C ATOM 210 C GLU A 19 5.454 14.550 1.436 1.00 0.00 C ATOM 211 O GLU A 19 5.661 15.735 1.700 1.00 0.00 O ATOM 212 CB GLU A 19 7.289 12.957 0.843 1.00 0.00 C ATOM 213 CG GLU A 19 7.572 11.744 -0.029 1.00 0.00 C ATOM 214 CD GLU A 19 8.160 12.120 -1.375 1.00 0.00 C ATOM 215 OE1 GLU A 19 9.300 12.629 -1.405 1.00 0.00 O ATOM 216 OE2 GLU A 19 7.479 11.906 -2.401 1.00 0.00 O ATOM 0 H GLU A 19 6.414 14.790 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 19 5.476 13.264 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.206 13.535 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.001 12.619 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.261 11.079 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.647 11.188 -0.183 1.00 0.00 H new ATOM 223 N LYS A 20 4.596 13.797 2.114 1.00 0.00 N ATOM 224 CA LYS A 20 3.829 14.331 3.232 1.00 0.00 C ATOM 225 C LYS A 20 3.654 13.279 4.325 1.00 0.00 C ATOM 226 O LYS A 20 3.739 12.079 4.062 1.00 0.00 O ATOM 227 CB LYS A 20 2.461 14.818 2.752 1.00 0.00 C ATOM 228 CG LYS A 20 2.501 16.187 2.091 1.00 0.00 C ATOM 229 CD LYS A 20 1.915 16.150 0.688 1.00 0.00 C ATOM 230 CE LYS A 20 1.878 17.534 0.063 1.00 0.00 C ATOM 231 NZ LYS A 20 3.243 18.045 -0.241 1.00 0.00 N ATOM 0 H LYS A 20 4.414 12.815 1.909 1.00 0.00 H new ATOM 0 HA LYS A 20 4.381 15.173 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.054 14.094 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.778 14.853 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.946 16.901 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.531 16.540 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.508 15.483 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.906 15.739 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.290 17.502 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.375 18.224 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.170 18.953 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.768 18.181 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.745 17.359 -0.839 1.00 0.00 H new ATOM 245 N PRO A 21 3.406 13.716 5.572 1.00 0.00 N ATOM 246 CA PRO A 21 3.220 12.806 6.707 1.00 0.00 C ATOM 247 C PRO A 21 2.167 11.739 6.426 1.00 0.00 C ATOM 248 O PRO A 21 1.029 12.052 6.077 1.00 0.00 O ATOM 249 CB PRO A 21 2.757 13.730 7.835 1.00 0.00 C ATOM 250 CG PRO A 21 3.303 15.069 7.475 1.00 0.00 C ATOM 251 CD PRO A 21 3.289 15.131 5.973 1.00 0.00 C ATOM 0 HA PRO A 21 4.131 12.254 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.670 13.752 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.134 13.395 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.696 15.866 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.314 15.195 7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.370 15.580 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.116 15.728 5.588 1.00 0.00 H new ATOM 259 N LYS A 22 2.555 10.478 6.581 1.00 0.00 N ATOM 260 CA LYS A 22 1.646 9.362 6.345 1.00 0.00 C ATOM 261 C LYS A 22 2.011 8.169 7.220 1.00 0.00 C ATOM 262 O LYS A 22 3.047 8.169 7.886 1.00 0.00 O ATOM 263 CB LYS A 22 1.678 8.955 4.870 1.00 0.00 C ATOM 264 CG LYS A 22 3.079 8.684 4.346 1.00 0.00 C ATOM 265 CD LYS A 22 3.080 8.476 2.839 1.00 0.00 C ATOM 266 CE LYS A 22 3.235 9.793 2.097 1.00 0.00 C ATOM 267 NZ LYS A 22 1.957 10.556 2.047 1.00 0.00 N ATOM 0 H LYS A 22 3.494 10.203 6.869 1.00 0.00 H new ATOM 0 HA LYS A 22 0.638 9.686 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.069 8.061 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.222 9.745 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.731 9.520 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.488 7.801 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.893 7.804 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.151 7.993 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.000 10.397 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.582 9.599 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.882 11.049 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.157 9.900 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.938 11.252 2.819 1.00 0.00 H new ATOM 281 N ARG A 23 1.156 7.153 7.216 1.00 0.00 N ATOM 282 CA ARG A 23 1.391 5.953 8.010 1.00 0.00 C ATOM 283 C ARG A 23 2.503 5.103 7.394 1.00 0.00 C ATOM 284 O ARG A 23 2.419 4.712 6.230 1.00 0.00 O ATOM 285 CB ARG A 23 0.106 5.129 8.119 1.00 0.00 C ATOM 286 CG ARG A 23 -0.986 5.811 8.924 1.00 0.00 C ATOM 287 CD ARG A 23 -1.947 4.800 9.529 1.00 0.00 C ATOM 288 NE ARG A 23 -2.649 4.031 8.505 1.00 0.00 N ATOM 289 CZ ARG A 23 -3.714 3.270 8.748 1.00 0.00 C ATOM 290 NH1 ARG A 23 -4.201 3.174 9.978 1.00 0.00 N ATOM 291 NH2 ARG A 23 -4.292 2.603 7.758 1.00 0.00 N ATOM 0 H ARG A 23 0.294 7.136 6.672 1.00 0.00 H new ATOM 0 HA ARG A 23 1.703 6.262 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.269 4.921 7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.338 4.168 8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.536 6.407 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.537 6.499 8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.396 4.120 10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.674 5.319 10.154 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.303 4.080 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.759 3.685 10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.017 2.590 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.921 2.673 6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.108 2.020 7.944 1.00 0.00 H new ATOM 305 N PRO A 24 3.565 4.807 8.166 1.00 0.00 N ATOM 306 CA PRO A 24 4.690 4.000 7.679 1.00 0.00 C ATOM 307 C PRO A 24 4.237 2.663 7.105 1.00 0.00 C ATOM 308 O PRO A 24 3.101 2.239 7.316 1.00 0.00 O ATOM 309 CB PRO A 24 5.547 3.784 8.929 1.00 0.00 C ATOM 310 CG PRO A 24 5.203 4.920 9.827 1.00 0.00 C ATOM 311 CD PRO A 24 3.756 5.229 9.567 1.00 0.00 C ATOM 0 HA PRO A 24 5.221 4.494 6.865 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.325 2.826 9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.609 3.781 8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.364 4.654 10.872 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.831 5.786 9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.100 4.683 10.245 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.541 6.289 9.701 1.00 0.00 H new ATOM 319 N VAL A 25 5.134 2.002 6.380 1.00 0.00 N ATOM 320 CA VAL A 25 4.825 0.711 5.777 1.00 0.00 C ATOM 321 C VAL A 25 5.961 -0.283 5.996 1.00 0.00 C ATOM 322 O VAL A 25 6.795 -0.492 5.116 1.00 0.00 O ATOM 323 CB VAL A 25 4.562 0.846 4.265 1.00 0.00 C ATOM 324 CG1 VAL A 25 4.050 -0.468 3.692 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.577 1.973 3.994 1.00 0.00 C ATOM 0 H VAL A 25 6.079 2.339 6.196 1.00 0.00 H new ATOM 0 HA VAL A 25 3.922 0.342 6.264 1.00 0.00 H new ATOM 0 HB VAL A 25 5.503 1.089 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.870 -0.353 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.793 -1.249 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.120 -0.744 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.403 2.054 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.635 1.762 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.987 2.912 4.367 1.00 0.00 H new ATOM 335 N SER A 26 5.985 -0.895 7.176 1.00 0.00 N ATOM 336 CA SER A 26 7.018 -1.868 7.511 1.00 0.00 C ATOM 337 C SER A 26 6.818 -3.162 6.730 1.00 0.00 C ATOM 338 O SER A 26 5.855 -3.301 5.975 1.00 0.00 O ATOM 339 CB SER A 26 7.006 -2.158 9.013 1.00 0.00 C ATOM 340 OG SER A 26 8.321 -2.342 9.508 1.00 0.00 O ATOM 0 H SER A 26 5.301 -0.734 7.916 1.00 0.00 H new ATOM 0 HA SER A 26 7.985 -1.445 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.527 -1.334 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.412 -3.051 9.209 1.00 0.00 H new ATOM 0 HG SER A 26 8.286 -2.524 10.470 1.00 0.00 H new ATOM 346 N ALA A 27 7.735 -4.107 6.914 1.00 0.00 N ATOM 347 CA ALA A 27 7.659 -5.390 6.227 1.00 0.00 C ATOM 348 C ALA A 27 6.368 -6.123 6.572 1.00 0.00 C ATOM 349 O ALA A 27 5.733 -6.726 5.707 1.00 0.00 O ATOM 350 CB ALA A 27 8.866 -6.247 6.576 1.00 0.00 C ATOM 0 H ALA A 27 8.539 -4.007 7.533 1.00 0.00 H new ATOM 0 HA ALA A 27 7.660 -5.200 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.796 -7.202 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.778 -5.733 6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.890 -6.420 7.652 1.00 0.00 H new ATOM 356 N MET A 28 5.984 -6.066 7.844 1.00 0.00 N ATOM 357 CA MET A 28 4.767 -6.725 8.304 1.00 0.00 C ATOM 358 C MET A 28 3.530 -6.070 7.700 1.00 0.00 C ATOM 359 O MET A 28 2.516 -6.729 7.468 1.00 0.00 O ATOM 360 CB MET A 28 4.686 -6.682 9.831 1.00 0.00 C ATOM 361 CG MET A 28 3.508 -7.458 10.401 1.00 0.00 C ATOM 362 SD MET A 28 4.017 -8.922 11.323 1.00 0.00 S ATOM 363 CE MET A 28 2.820 -8.917 12.655 1.00 0.00 C ATOM 0 H MET A 28 6.497 -5.571 8.573 1.00 0.00 H new ATOM 0 HA MET A 28 4.801 -7.764 7.977 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.610 -7.084 10.247 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.616 -5.643 10.154 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.931 -6.805 11.055 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.848 -7.758 9.587 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.005 -9.766 13.313 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.911 -7.991 13.223 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.814 -8.991 12.241 1.00 0.00 H new ATOM 373 N PHE A 29 3.620 -4.769 7.445 1.00 0.00 N ATOM 374 CA PHE A 29 2.508 -4.023 6.867 1.00 0.00 C ATOM 375 C PHE A 29 2.220 -4.490 5.443 1.00 0.00 C ATOM 376 O PHE A 29 1.067 -4.698 5.069 1.00 0.00 O ATOM 377 CB PHE A 29 2.814 -2.525 6.872 1.00 0.00 C ATOM 378 CG PHE A 29 1.615 -1.666 6.592 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.117 -1.546 5.304 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.984 -0.978 7.616 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.012 -0.757 5.043 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.120 -0.186 7.362 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.606 -0.075 6.073 1.00 0.00 C ATOM 0 H PHE A 29 4.452 -4.209 7.630 1.00 0.00 H new ATOM 0 HA PHE A 29 1.624 -4.208 7.477 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.229 -2.251 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.582 -2.317 6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.598 -2.075 4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.359 -1.062 8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.367 -0.674 4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.602 0.345 8.169 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.468 0.544 5.871 1.00 0.00 H new ATOM 393 N ILE A 30 3.278 -4.652 4.654 1.00 0.00 N ATOM 394 CA ILE A 30 3.138 -5.094 3.272 1.00 0.00 C ATOM 395 C ILE A 30 2.507 -6.481 3.201 1.00 0.00 C ATOM 396 O ILE A 30 1.530 -6.693 2.484 1.00 0.00 O ATOM 397 CB ILE A 30 4.501 -5.124 2.551 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.231 -3.791 2.733 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.313 -5.434 1.073 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.707 -3.946 3.028 1.00 0.00 C ATOM 0 H ILE A 30 4.240 -4.484 4.948 1.00 0.00 H new ATOM 0 HA ILE A 30 2.488 -4.375 2.773 1.00 0.00 H new ATOM 0 HB ILE A 30 5.110 -5.913 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.110 -3.193 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.762 -3.237 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.284 -5.452 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.832 -6.406 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.687 -4.667 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.160 -2.962 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.836 -4.517 3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.189 -4.472 2.204 1.00 0.00 H new ATOM 412 N PHE A 31 3.073 -7.423 3.950 1.00 0.00 N ATOM 413 CA PHE A 31 2.566 -8.789 3.973 1.00 0.00 C ATOM 414 C PHE A 31 1.177 -8.845 4.601 1.00 0.00 C ATOM 415 O PHE A 31 0.369 -9.712 4.268 1.00 0.00 O ATOM 416 CB PHE A 31 3.526 -9.697 4.746 1.00 0.00 C ATOM 417 CG PHE A 31 3.085 -11.133 4.800 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.370 -11.998 3.755 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.389 -11.617 5.895 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.967 -13.320 3.802 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.984 -12.937 5.948 1.00 0.00 C ATOM 422 CZ PHE A 31 2.273 -13.789 4.900 1.00 0.00 C ATOM 0 H PHE A 31 3.883 -7.264 4.549 1.00 0.00 H new ATOM 0 HA PHE A 31 2.492 -9.140 2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.512 -9.646 4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.630 -9.319 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.913 -11.635 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.160 -10.955 6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.195 -13.984 2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.442 -13.302 6.808 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.957 -14.821 4.939 1.00 0.00 H new ATOM 432 N SER A 32 0.908 -7.917 5.513 1.00 0.00 N ATOM 433 CA SER A 32 -0.383 -7.862 6.190 1.00 0.00 C ATOM 434 C SER A 32 -1.439 -7.188 5.317 1.00 0.00 C ATOM 435 O SER A 32 -2.637 -7.365 5.532 1.00 0.00 O ATOM 436 CB SER A 32 -0.252 -7.114 7.518 1.00 0.00 C ATOM 437 OG SER A 32 -1.523 -6.856 8.087 1.00 0.00 O ATOM 0 H SER A 32 1.566 -7.193 5.801 1.00 0.00 H new ATOM 0 HA SER A 32 -0.703 -8.886 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.348 -7.702 8.212 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.276 -6.174 7.358 1.00 0.00 H new ATOM 0 HG SER A 32 -1.411 -6.379 8.935 1.00 0.00 H new ATOM 443 N GLU A 33 -0.990 -6.411 4.334 1.00 0.00 N ATOM 444 CA GLU A 33 -1.905 -5.712 3.437 1.00 0.00 C ATOM 445 C GLU A 33 -2.058 -6.459 2.116 1.00 0.00 C ATOM 446 O GLU A 33 -3.117 -6.423 1.491 1.00 0.00 O ATOM 447 CB GLU A 33 -1.408 -4.289 3.177 1.00 0.00 C ATOM 448 CG GLU A 33 -2.525 -3.293 2.911 1.00 0.00 C ATOM 449 CD GLU A 33 -2.232 -2.389 1.729 1.00 0.00 C ATOM 450 OE1 GLU A 33 -1.858 -2.914 0.659 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.376 -1.157 1.875 1.00 0.00 O ATOM 0 H GLU A 33 -0.002 -6.250 4.139 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.881 -5.668 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.830 -3.952 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.731 -4.300 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.453 -3.834 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.682 -2.683 3.800 1.00 0.00 H new ATOM 458 N GLU A 34 -0.992 -7.132 1.693 1.00 0.00 N ATOM 459 CA GLU A 34 -1.010 -7.884 0.443 1.00 0.00 C ATOM 460 C GLU A 34 -1.655 -9.253 0.633 1.00 0.00 C ATOM 461 O GLU A 34 -2.229 -9.813 -0.301 1.00 0.00 O ATOM 462 CB GLU A 34 0.412 -8.049 -0.096 1.00 0.00 C ATOM 463 CG GLU A 34 0.476 -8.189 -1.609 1.00 0.00 C ATOM 464 CD GLU A 34 1.833 -8.659 -2.095 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.423 -9.545 -1.441 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.305 -8.142 -3.129 1.00 0.00 O ATOM 0 H GLU A 34 -0.106 -7.172 2.197 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.605 -7.323 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.009 -7.188 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.866 -8.928 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.287 -8.894 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.242 -7.229 -2.069 1.00 0.00 H new ATOM 473 N LYS A 35 -1.554 -9.790 1.845 1.00 0.00 N ATOM 474 CA LYS A 35 -2.127 -11.097 2.151 1.00 0.00 C ATOM 475 C LYS A 35 -3.580 -10.970 2.597 1.00 0.00 C ATOM 476 O LYS A 35 -4.381 -11.884 2.402 1.00 0.00 O ATOM 477 CB LYS A 35 -1.306 -11.792 3.237 1.00 0.00 C ATOM 478 CG LYS A 35 0.139 -12.044 2.839 1.00 0.00 C ATOM 479 CD LYS A 35 0.260 -13.234 1.902 1.00 0.00 C ATOM 480 CE LYS A 35 0.238 -12.800 0.445 1.00 0.00 C ATOM 481 NZ LYS A 35 -0.492 -13.774 -0.413 1.00 0.00 N ATOM 0 H LYS A 35 -1.082 -9.342 2.630 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.101 -11.698 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.324 -11.183 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.777 -12.743 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.544 -11.156 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.738 -12.221 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.187 -13.769 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.558 -13.930 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.234 -11.821 0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.260 -12.692 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.485 -13.442 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.027 -14.703 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.475 -13.858 -0.084 1.00 0.00 H new ATOM 495 N ARG A 36 -3.917 -9.833 3.198 1.00 0.00 N ATOM 496 CA ARG A 36 -5.275 -9.591 3.672 1.00 0.00 C ATOM 497 C ARG A 36 -6.279 -9.697 2.528 1.00 0.00 C ATOM 498 O ARG A 36 -7.261 -10.434 2.618 1.00 0.00 O ATOM 499 CB ARG A 36 -5.371 -8.211 4.326 1.00 0.00 C ATOM 500 CG ARG A 36 -6.759 -7.881 4.850 1.00 0.00 C ATOM 501 CD ARG A 36 -6.917 -6.391 5.107 1.00 0.00 C ATOM 502 NE ARG A 36 -6.833 -5.610 3.875 1.00 0.00 N ATOM 503 CZ ARG A 36 -6.897 -4.282 3.833 1.00 0.00 C ATOM 504 NH1 ARG A 36 -7.044 -3.581 4.951 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.812 -3.651 2.670 1.00 0.00 N ATOM 0 H ARG A 36 -3.268 -9.065 3.368 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.516 -10.354 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.659 -8.158 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.076 -7.453 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.509 -8.209 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.941 -8.432 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.877 -6.206 5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.144 -6.059 5.800 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.719 -6.113 2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.109 -4.061 5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.092 -2.563 4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.698 -4.184 1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.861 -2.633 2.637 1.00 0.00 H new ATOM 519 N ARG A 37 -6.028 -8.954 1.455 1.00 0.00 N ATOM 520 CA ARG A 37 -6.910 -8.964 0.294 1.00 0.00 C ATOM 521 C ARG A 37 -7.025 -10.367 -0.292 1.00 0.00 C ATOM 522 O ARG A 37 -8.051 -10.727 -0.870 1.00 0.00 O ATOM 523 CB ARG A 37 -6.397 -7.994 -0.771 1.00 0.00 C ATOM 524 CG ARG A 37 -7.458 -7.581 -1.778 1.00 0.00 C ATOM 525 CD ARG A 37 -7.324 -6.115 -2.160 1.00 0.00 C ATOM 526 NE ARG A 37 -8.572 -5.572 -2.692 1.00 0.00 N ATOM 527 CZ ARG A 37 -8.695 -4.342 -3.182 1.00 0.00 C ATOM 528 NH1 ARG A 37 -7.650 -3.523 -3.209 1.00 0.00 N ATOM 529 NH2 ARG A 37 -9.865 -3.927 -3.647 1.00 0.00 N ATOM 0 H ARG A 37 -5.221 -8.337 1.366 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.900 -8.645 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.006 -7.102 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.565 -8.457 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.374 -8.200 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.448 -7.760 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.021 -5.539 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.535 -6.005 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.397 -6.172 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.747 -3.836 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.750 -2.581 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.671 -4.551 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.959 -2.983 -4.023 1.00 0.00 H new ATOM 543 N GLN A 38 -5.967 -11.158 -0.141 1.00 0.00 N ATOM 544 CA GLN A 38 -5.952 -12.522 -0.655 1.00 0.00 C ATOM 545 C GLN A 38 -6.760 -13.453 0.242 1.00 0.00 C ATOM 546 O GLN A 38 -7.465 -14.341 -0.240 1.00 0.00 O ATOM 547 CB GLN A 38 -4.514 -13.029 -0.773 1.00 0.00 C ATOM 548 CG GLN A 38 -3.821 -12.601 -2.056 1.00 0.00 C ATOM 549 CD GLN A 38 -3.215 -13.768 -2.811 1.00 0.00 C ATOM 550 OE1 GLN A 38 -3.060 -14.862 -2.268 1.00 0.00 O ATOM 551 NE2 GLN A 38 -2.867 -13.540 -4.072 1.00 0.00 N ATOM 0 H GLN A 38 -5.109 -10.877 0.333 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.410 -12.515 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.939 -12.667 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.516 -14.118 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.538 -12.091 -2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.038 -11.881 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.013 -12.618 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.453 -14.287 -4.630 1.00 0.00 H new ATOM 560 N LEU A 39 -6.655 -13.244 1.550 1.00 0.00 N ATOM 561 CA LEU A 39 -7.377 -14.064 2.517 1.00 0.00 C ATOM 562 C LEU A 39 -8.858 -13.703 2.541 1.00 0.00 C ATOM 563 O LEU A 39 -9.709 -14.548 2.818 1.00 0.00 O ATOM 564 CB LEU A 39 -6.776 -13.892 3.912 1.00 0.00 C ATOM 565 CG LEU A 39 -5.402 -14.537 4.109 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.730 -13.988 5.358 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.531 -16.050 4.192 1.00 0.00 C ATOM 0 H LEU A 39 -6.077 -12.514 1.965 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.282 -15.106 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.695 -12.827 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.466 -14.313 4.643 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.779 -14.292 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.754 -14.458 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.604 -12.910 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.350 -14.203 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.545 -16.492 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.170 -16.315 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.971 -16.429 3.269 1.00 0.00 H new ATOM 579 N GLN A 40 -9.159 -12.442 2.250 1.00 0.00 N ATOM 580 CA GLN A 40 -10.539 -11.968 2.240 1.00 0.00 C ATOM 581 C GLN A 40 -11.357 -12.693 1.175 1.00 0.00 C ATOM 582 O GLN A 40 -12.482 -13.124 1.429 1.00 0.00 O ATOM 583 CB GLN A 40 -10.578 -10.457 1.997 1.00 0.00 C ATOM 584 CG GLN A 40 -11.259 -9.681 3.112 1.00 0.00 C ATOM 585 CD GLN A 40 -10.614 -8.331 3.359 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.578 -7.914 4.620 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -10.154 -7.669 2.429 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.467 -11.730 2.018 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.979 -12.182 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.559 -10.090 1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.098 -10.261 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.310 -9.537 2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.228 -10.268 4.030 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.203 -8.027 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.724 -6.762 2.612 1.00 0.00 H new ATOM 596 N GLU A 41 -10.784 -12.821 -0.017 1.00 0.00 N ATOM 597 CA GLU A 41 -11.460 -13.492 -1.122 1.00 0.00 C ATOM 598 C GLU A 41 -11.493 -15.001 -0.904 1.00 0.00 C ATOM 599 O GLU A 41 -12.528 -15.643 -1.085 1.00 0.00 O ATOM 600 CB GLU A 41 -10.765 -13.169 -2.446 1.00 0.00 C ATOM 601 CG GLU A 41 -11.399 -12.010 -3.198 1.00 0.00 C ATOM 602 CD GLU A 41 -12.274 -12.470 -4.347 1.00 0.00 C ATOM 603 OE1 GLU A 41 -11.734 -12.696 -5.451 1.00 0.00 O ATOM 604 OE2 GLU A 41 -13.498 -12.604 -4.143 1.00 0.00 O ATOM 0 H GLU A 41 -9.854 -12.469 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.486 -13.127 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.719 -12.935 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.780 -14.055 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.996 -11.416 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.614 -11.358 -3.582 1.00 0.00 H new ATOM 611 N GLU A 42 -10.354 -15.563 -0.515 1.00 0.00 N ATOM 612 CA GLU A 42 -10.252 -16.998 -0.272 1.00 0.00 C ATOM 613 C GLU A 42 -11.075 -17.401 0.946 1.00 0.00 C ATOM 614 O GLU A 42 -11.618 -18.505 1.004 1.00 0.00 O ATOM 615 CB GLU A 42 -8.790 -17.400 -0.070 1.00 0.00 C ATOM 616 CG GLU A 42 -7.897 -17.064 -1.253 1.00 0.00 C ATOM 617 CD GLU A 42 -6.453 -16.842 -0.848 1.00 0.00 C ATOM 618 OE1 GLU A 42 -6.011 -17.466 0.139 1.00 0.00 O ATOM 619 OE2 GLU A 42 -5.765 -16.044 -1.518 1.00 0.00 O ATOM 0 H GLU A 42 -9.488 -15.047 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.647 -17.519 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.404 -16.901 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.740 -18.472 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.946 -17.873 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.274 -16.168 -1.746 1.00 0.00 H new ATOM 626 N ARG A 43 -11.164 -16.499 1.919 1.00 0.00 N ATOM 627 CA ARG A 43 -11.922 -16.761 3.137 1.00 0.00 C ATOM 628 C ARG A 43 -12.893 -15.620 3.429 1.00 0.00 C ATOM 629 O ARG A 43 -12.604 -14.738 4.238 1.00 0.00 O ATOM 630 CB ARG A 43 -10.971 -16.952 4.321 1.00 0.00 C ATOM 631 CG ARG A 43 -9.945 -18.052 4.104 1.00 0.00 C ATOM 632 CD ARG A 43 -10.507 -19.418 4.464 1.00 0.00 C ATOM 633 NE ARG A 43 -9.458 -20.428 4.584 1.00 0.00 N ATOM 634 CZ ARG A 43 -8.887 -21.031 3.545 1.00 0.00 C ATOM 635 NH1 ARG A 43 -9.259 -20.730 2.307 1.00 0.00 N ATOM 636 NH2 ARG A 43 -7.940 -21.938 3.744 1.00 0.00 N ATOM 0 H ARG A 43 -10.721 -15.581 1.887 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.497 -17.675 2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.451 -16.014 4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.555 -17.182 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.625 -18.052 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.061 -17.850 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.053 -19.349 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.223 -19.728 3.702 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.145 -20.686 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.986 -20.033 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.817 -21.196 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.650 -22.173 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.502 -22.401 2.948 1.00 0.00 H new ATOM 650 N PRO A 44 -14.066 -15.624 2.772 1.00 0.00 N ATOM 651 CA PRO A 44 -15.085 -14.585 2.964 1.00 0.00 C ATOM 652 C PRO A 44 -15.679 -14.607 4.370 1.00 0.00 C ATOM 653 O PRO A 44 -16.260 -13.621 4.822 1.00 0.00 O ATOM 654 CB PRO A 44 -16.155 -14.934 1.926 1.00 0.00 C ATOM 655 CG PRO A 44 -15.965 -16.386 1.655 1.00 0.00 C ATOM 656 CD PRO A 44 -14.491 -16.639 1.792 1.00 0.00 C ATOM 0 HA PRO A 44 -14.670 -13.584 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.156 -14.731 2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.033 -14.343 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.533 -16.993 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.315 -16.646 0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.287 -17.650 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.972 -16.523 0.841 1.00 0.00 H new ATOM 664 N GLU A 45 -15.530 -15.736 5.056 1.00 0.00 N ATOM 665 CA GLU A 45 -16.054 -15.881 6.409 1.00 0.00 C ATOM 666 C GLU A 45 -15.218 -15.083 7.403 1.00 0.00 C ATOM 667 O GLU A 45 -15.728 -14.600 8.413 1.00 0.00 O ATOM 668 CB GLU A 45 -16.076 -17.356 6.814 1.00 0.00 C ATOM 669 CG GLU A 45 -16.872 -17.627 8.081 1.00 0.00 C ATOM 670 CD GLU A 45 -18.367 -17.638 7.837 1.00 0.00 C ATOM 671 OE1 GLU A 45 -18.893 -16.629 7.321 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.016 -18.656 8.164 1.00 0.00 O ATOM 0 H GLU A 45 -15.051 -16.562 4.698 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.072 -15.492 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.498 -17.942 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.052 -17.700 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.568 -18.587 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.634 -16.867 8.825 1.00 0.00 H new ATOM 679 N LEU A 46 -13.929 -14.947 7.109 1.00 0.00 N ATOM 680 CA LEU A 46 -13.020 -14.207 7.974 1.00 0.00 C ATOM 681 C LEU A 46 -13.104 -12.710 7.700 1.00 0.00 C ATOM 682 O LEU A 46 -13.059 -12.276 6.548 1.00 0.00 O ATOM 683 CB LEU A 46 -11.585 -14.694 7.774 1.00 0.00 C ATOM 684 CG LEU A 46 -11.260 -16.040 8.426 1.00 0.00 C ATOM 685 CD1 LEU A 46 -9.911 -16.553 7.948 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.279 -15.914 9.942 1.00 0.00 C ATOM 0 H LEU A 46 -13.491 -15.341 6.276 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.317 -14.385 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.389 -14.769 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.904 -13.941 8.171 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.023 -16.760 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.697 -17.511 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.933 -16.681 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.134 -15.836 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.046 -16.880 10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.537 -15.180 10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.268 -15.592 10.268 1.00 0.00 H new ATOM 698 N SER A 47 -13.227 -11.924 8.764 1.00 0.00 N ATOM 699 CA SER A 47 -13.316 -10.474 8.638 1.00 0.00 C ATOM 700 C SER A 47 -11.938 -9.830 8.755 1.00 0.00 C ATOM 701 O SER A 47 -10.960 -10.495 9.095 1.00 0.00 O ATOM 702 CB SER A 47 -14.251 -9.905 9.707 1.00 0.00 C ATOM 703 OG SER A 47 -15.609 -10.133 9.373 1.00 0.00 O ATOM 0 H SER A 47 -13.267 -12.267 9.724 1.00 0.00 H new ATOM 0 HA SER A 47 -13.720 -10.245 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.029 -10.364 10.670 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.075 -8.835 9.816 1.00 0.00 H new ATOM 0 HG SER A 47 -16.185 -9.761 10.073 1.00 0.00 H new ATOM 709 N GLU A 48 -11.870 -8.534 8.471 1.00 0.00 N ATOM 710 CA GLU A 48 -10.612 -7.801 8.545 1.00 0.00 C ATOM 711 C GLU A 48 -10.026 -7.864 9.951 1.00 0.00 C ATOM 712 O GLU A 48 -8.825 -8.069 10.127 1.00 0.00 O ATOM 713 CB GLU A 48 -10.823 -6.342 8.133 1.00 0.00 C ATOM 714 CG GLU A 48 -11.632 -6.182 6.856 1.00 0.00 C ATOM 715 CD GLU A 48 -12.896 -5.370 7.062 1.00 0.00 C ATOM 716 OE1 GLU A 48 -12.788 -4.203 7.495 1.00 0.00 O ATOM 717 OE2 GLU A 48 -13.994 -5.900 6.790 1.00 0.00 O ATOM 0 H GLU A 48 -12.671 -7.970 8.188 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.908 -8.268 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.328 -5.814 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.851 -5.866 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.015 -5.700 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.897 -7.167 6.472 1.00 0.00 H new ATOM 724 N SER A 49 -10.883 -7.685 10.952 1.00 0.00 N ATOM 725 CA SER A 49 -10.450 -7.723 12.344 1.00 0.00 C ATOM 726 C SER A 49 -9.856 -9.084 12.692 1.00 0.00 C ATOM 727 O SER A 49 -8.947 -9.183 13.516 1.00 0.00 O ATOM 728 CB SER A 49 -11.625 -7.413 13.274 1.00 0.00 C ATOM 729 OG SER A 49 -11.197 -7.309 14.621 1.00 0.00 O ATOM 0 H SER A 49 -11.880 -7.512 10.825 1.00 0.00 H new ATOM 0 HA SER A 49 -9.679 -6.965 12.480 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.099 -6.481 12.967 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.377 -8.197 13.188 1.00 0.00 H new ATOM 0 HG SER A 49 -11.966 -7.109 15.194 1.00 0.00 H new ATOM 735 N GLU A 50 -10.376 -10.130 12.058 1.00 0.00 N ATOM 736 CA GLU A 50 -9.897 -11.486 12.300 1.00 0.00 C ATOM 737 C GLU A 50 -8.649 -11.777 11.474 1.00 0.00 C ATOM 738 O GLU A 50 -7.738 -12.469 11.928 1.00 0.00 O ATOM 739 CB GLU A 50 -10.991 -12.503 11.968 1.00 0.00 C ATOM 740 CG GLU A 50 -12.306 -12.237 12.680 1.00 0.00 C ATOM 741 CD GLU A 50 -12.486 -13.099 13.914 1.00 0.00 C ATOM 742 OE1 GLU A 50 -12.338 -14.334 13.802 1.00 0.00 O ATOM 743 OE2 GLU A 50 -12.775 -12.538 14.993 1.00 0.00 O ATOM 0 H GLU A 50 -11.129 -10.065 11.373 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.640 -11.571 13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.163 -12.500 10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.640 -13.501 12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.354 -11.186 12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.131 -12.418 11.991 1.00 0.00 H new ATOM 750 N LEU A 51 -8.614 -11.242 10.257 1.00 0.00 N ATOM 751 CA LEU A 51 -7.477 -11.444 9.366 1.00 0.00 C ATOM 752 C LEU A 51 -6.194 -10.899 9.989 1.00 0.00 C ATOM 753 O LEU A 51 -5.104 -11.411 9.735 1.00 0.00 O ATOM 754 CB LEU A 51 -7.732 -10.768 8.018 1.00 0.00 C ATOM 755 CG LEU A 51 -8.720 -11.496 7.106 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.930 -10.718 5.817 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.232 -12.905 6.806 1.00 0.00 C ATOM 0 H LEU A 51 -9.359 -10.666 9.866 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.356 -12.516 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.103 -9.759 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.782 -10.668 7.493 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.677 -11.567 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.636 -11.252 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.326 -9.729 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.978 -10.614 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.948 -13.407 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.263 -12.856 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.135 -13.462 7.738 1.00 0.00 H new ATOM 769 N THR A 52 -6.333 -9.859 10.804 1.00 0.00 N ATOM 770 CA THR A 52 -5.185 -9.245 11.462 1.00 0.00 C ATOM 771 C THR A 52 -4.439 -10.263 12.319 1.00 0.00 C ATOM 772 O THR A 52 -3.213 -10.220 12.426 1.00 0.00 O ATOM 773 CB THR A 52 -5.637 -8.067 12.328 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.828 -7.497 11.815 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.605 -6.966 12.424 1.00 0.00 C ATOM 0 H THR A 52 -7.229 -9.424 11.025 1.00 0.00 H new ATOM 0 HA THR A 52 -4.507 -8.881 10.689 1.00 0.00 H new ATOM 0 HB THR A 52 -5.795 -8.482 13.323 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.102 -6.747 12.383 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.988 -6.162 13.052 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.689 -7.363 12.862 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.393 -6.579 11.428 1.00 0.00 H new ATOM 783 N ARG A 53 -5.187 -11.178 12.927 1.00 0.00 N ATOM 784 CA ARG A 53 -4.596 -12.207 13.774 1.00 0.00 C ATOM 785 C ARG A 53 -3.973 -13.314 12.929 1.00 0.00 C ATOM 786 O ARG A 53 -2.964 -13.907 13.311 1.00 0.00 O ATOM 787 CB ARG A 53 -5.652 -12.797 14.710 1.00 0.00 C ATOM 788 CG ARG A 53 -6.402 -11.748 15.516 1.00 0.00 C ATOM 789 CD ARG A 53 -5.516 -11.121 16.580 1.00 0.00 C ATOM 790 NE ARG A 53 -5.698 -9.675 16.661 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.102 -8.903 17.568 1.00 0.00 C ATOM 792 NH1 ARG A 53 -4.288 -9.434 18.470 1.00 0.00 N ATOM 793 NH2 ARG A 53 -5.322 -7.594 17.571 1.00 0.00 N ATOM 0 H ARG A 53 -6.203 -11.228 12.849 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.811 -11.744 14.371 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.367 -13.372 14.122 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.170 -13.494 15.395 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.774 -10.972 14.847 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.272 -12.205 15.989 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.740 -11.569 17.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.472 -11.343 16.359 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.317 -9.230 15.984 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.115 -10.439 18.472 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.835 -8.837 19.162 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.947 -7.180 16.879 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.866 -7.002 18.265 1.00 0.00 H new ATOM 807 N LEU A 54 -4.581 -13.587 11.779 1.00 0.00 N ATOM 808 CA LEU A 54 -4.086 -14.623 10.879 1.00 0.00 C ATOM 809 C LEU A 54 -2.859 -14.135 10.114 1.00 0.00 C ATOM 810 O LEU A 54 -1.959 -14.914 9.804 1.00 0.00 O ATOM 811 CB LEU A 54 -5.181 -15.041 9.897 1.00 0.00 C ATOM 812 CG LEU A 54 -4.832 -16.239 9.011 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.878 -17.528 9.816 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.779 -16.316 7.823 1.00 0.00 C ATOM 0 H LEU A 54 -5.417 -13.105 11.448 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.799 -15.486 11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.084 -15.276 10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.418 -14.191 9.257 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.818 -16.106 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.627 -18.369 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.160 -17.472 10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.880 -17.668 10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.517 -17.174 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.803 -16.426 8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.697 -15.403 7.233 1.00 0.00 H new ATOM 826 N LEU A 55 -2.831 -12.840 9.815 1.00 0.00 N ATOM 827 CA LEU A 55 -1.715 -12.249 9.087 1.00 0.00 C ATOM 828 C LEU A 55 -0.434 -12.313 9.911 1.00 0.00 C ATOM 829 O LEU A 55 0.634 -12.638 9.392 1.00 0.00 O ATOM 830 CB LEU A 55 -2.027 -10.795 8.724 1.00 0.00 C ATOM 831 CG LEU A 55 -3.111 -10.612 7.660 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.699 -9.212 7.734 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.546 -10.884 6.274 1.00 0.00 C ATOM 0 H LEU A 55 -3.568 -12.181 10.066 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.568 -12.822 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.334 -10.269 9.628 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.111 -10.319 8.373 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.909 -11.329 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.468 -9.100 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.139 -9.054 8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.911 -8.477 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.330 -10.749 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.730 -10.191 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.173 -11.907 6.228 1.00 0.00 H new ATOM 845 N ALA A 56 -0.548 -12.003 11.198 1.00 0.00 N ATOM 846 CA ALA A 56 0.602 -12.027 12.095 1.00 0.00 C ATOM 847 C ALA A 56 1.187 -13.431 12.199 1.00 0.00 C ATOM 848 O ALA A 56 2.405 -13.605 12.234 1.00 0.00 O ATOM 849 CB ALA A 56 0.206 -11.514 13.471 1.00 0.00 C ATOM 0 H ALA A 56 -1.425 -11.732 11.643 1.00 0.00 H new ATOM 0 HA ALA A 56 1.369 -11.372 11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.073 -11.537 14.131 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.159 -10.490 13.387 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.580 -12.147 13.883 1.00 0.00 H new ATOM 855 N ARG A 57 0.310 -14.429 12.248 1.00 0.00 N ATOM 856 CA ARG A 57 0.741 -15.819 12.348 1.00 0.00 C ATOM 857 C ARG A 57 1.423 -16.271 11.061 1.00 0.00 C ATOM 858 O ARG A 57 2.384 -17.041 11.093 1.00 0.00 O ATOM 859 CB ARG A 57 -0.454 -16.725 12.650 1.00 0.00 C ATOM 860 CG ARG A 57 -0.110 -17.911 13.535 1.00 0.00 C ATOM 861 CD ARG A 57 -1.276 -18.881 13.648 1.00 0.00 C ATOM 862 NE ARG A 57 -1.034 -20.117 12.907 1.00 0.00 N ATOM 863 CZ ARG A 57 -0.273 -21.113 13.357 1.00 0.00 C ATOM 864 NH1 ARG A 57 0.319 -21.023 14.542 1.00 0.00 N ATOM 865 NH2 ARG A 57 -0.106 -22.204 12.621 1.00 0.00 N ATOM 0 H ARG A 57 -0.702 -14.301 12.220 1.00 0.00 H new ATOM 0 HA ARG A 57 1.460 -15.892 13.164 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.233 -16.136 13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.868 -17.091 11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.758 -18.430 13.128 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.167 -17.557 14.528 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.451 -19.116 14.698 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.182 -18.405 13.272 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.473 -20.223 11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.192 -20.188 15.113 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.901 -21.789 14.881 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.560 -22.280 11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.477 -22.967 12.965 1.00 0.00 H new ATOM 879 N MET A 58 0.920 -15.787 9.930 1.00 0.00 N ATOM 880 CA MET A 58 1.482 -16.141 8.632 1.00 0.00 C ATOM 881 C MET A 58 2.866 -15.527 8.452 1.00 0.00 C ATOM 882 O MET A 58 3.754 -16.137 7.858 1.00 0.00 O ATOM 883 CB MET A 58 0.555 -15.675 7.507 1.00 0.00 C ATOM 884 CG MET A 58 -0.703 -16.517 7.368 1.00 0.00 C ATOM 885 SD MET A 58 -1.198 -16.745 5.649 1.00 0.00 S ATOM 886 CE MET A 58 -1.172 -15.052 5.062 1.00 0.00 C ATOM 0 H MET A 58 0.125 -15.149 9.886 1.00 0.00 H new ATOM 0 HA MET A 58 1.577 -17.226 8.590 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.270 -14.638 7.688 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.102 -15.696 6.564 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.536 -17.492 7.827 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.516 -16.042 7.917 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.947 -14.917 4.307 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.356 -14.375 5.896 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.198 -14.833 4.625 1.00 0.00 H new ATOM 896 N TRP A 59 3.043 -14.317 8.971 1.00 0.00 N ATOM 897 CA TRP A 59 4.319 -13.620 8.868 1.00 0.00 C ATOM 898 C TRP A 59 5.430 -14.418 9.545 1.00 0.00 C ATOM 899 O TRP A 59 6.560 -14.464 9.059 1.00 0.00 O ATOM 900 CB TRP A 59 4.218 -12.230 9.499 1.00 0.00 C ATOM 901 CG TRP A 59 5.474 -11.424 9.365 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.265 -10.963 10.378 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.085 -10.983 8.147 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.329 -10.263 9.865 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.241 -10.260 8.498 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.766 -11.129 6.794 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.078 -9.687 7.544 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.598 -10.559 5.849 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.743 -9.846 6.227 1.00 0.00 C ATOM 0 H TRP A 59 2.318 -13.799 9.467 1.00 0.00 H new ATOM 0 HA TRP A 59 4.563 -13.515 7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.395 -11.687 9.034 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.974 -12.336 10.556 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.081 -11.125 11.430 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.065 -9.818 10.413 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.886 -11.677 6.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.961 -9.136 7.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.361 -10.665 4.801 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.373 -9.413 5.464 1.00 0.00 H new ATOM 920 N ASN A 60 5.099 -15.047 10.669 1.00 0.00 N ATOM 921 CA ASN A 60 6.068 -15.844 11.412 1.00 0.00 C ATOM 922 C ASN A 60 6.395 -17.134 10.667 1.00 0.00 C ATOM 923 O ASN A 60 7.523 -17.625 10.722 1.00 0.00 O ATOM 924 CB ASN A 60 5.529 -16.168 12.807 1.00 0.00 C ATOM 925 CG ASN A 60 5.155 -14.923 13.586 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.643 -13.829 13.303 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.284 -15.084 14.576 1.00 0.00 N ATOM 0 H ASN A 60 4.168 -15.020 11.084 1.00 0.00 H new ATOM 0 HA ASN A 60 6.984 -15.261 11.511 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.654 -16.812 12.715 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.281 -16.729 13.363 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.995 -14.282 15.136 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.904 -16.009 14.776 1.00 0.00 H new ATOM 934 N ASP A 61 5.402 -17.678 9.972 1.00 0.00 N ATOM 935 CA ASP A 61 5.584 -18.911 9.215 1.00 0.00 C ATOM 936 C ASP A 61 6.525 -18.693 8.033 1.00 0.00 C ATOM 937 O ASP A 61 7.197 -19.621 7.584 1.00 0.00 O ATOM 938 CB ASP A 61 4.236 -19.433 8.718 1.00 0.00 C ATOM 939 CG ASP A 61 3.605 -20.417 9.684 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.332 -21.291 10.200 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.384 -20.313 9.924 1.00 0.00 O ATOM 0 H ASP A 61 4.463 -17.284 9.917 1.00 0.00 H new ATOM 0 HA ASP A 61 6.030 -19.651 9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.558 -18.593 8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.371 -19.915 7.749 1.00 0.00 H new ATOM 946 N LEU A 62 6.568 -17.460 7.534 1.00 0.00 N ATOM 947 CA LEU A 62 7.427 -17.121 6.404 1.00 0.00 C ATOM 948 C LEU A 62 8.883 -17.459 6.704 1.00 0.00 C ATOM 949 O LEU A 62 9.251 -17.705 7.853 1.00 0.00 O ATOM 950 CB LEU A 62 7.297 -15.635 6.066 1.00 0.00 C ATOM 951 CG LEU A 62 6.018 -15.250 5.319 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.998 -13.756 5.027 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.895 -16.049 4.029 1.00 0.00 C ATOM 0 H LEU A 62 6.018 -16.680 7.894 1.00 0.00 H new ATOM 0 HA LEU A 62 7.105 -17.712 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.345 -15.062 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.155 -15.339 5.463 1.00 0.00 H new ATOM 0 HG LEU A 62 5.164 -15.486 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.081 -13.501 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.040 -13.201 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.859 -13.494 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.980 -15.763 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.754 -15.843 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.863 -17.113 4.262 1.00 0.00 H new ATOM 965 N SER A 63 9.709 -17.468 5.662 1.00 0.00 N ATOM 966 CA SER A 63 11.127 -17.775 5.812 1.00 0.00 C ATOM 967 C SER A 63 11.982 -16.543 5.535 1.00 0.00 C ATOM 968 O SER A 63 11.479 -15.517 5.077 1.00 0.00 O ATOM 969 CB SER A 63 11.527 -18.911 4.868 1.00 0.00 C ATOM 970 OG SER A 63 10.649 -20.016 4.998 1.00 0.00 O ATOM 0 H SER A 63 9.420 -17.266 4.705 1.00 0.00 H new ATOM 0 HA SER A 63 11.298 -18.090 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.516 -18.553 3.838 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.548 -19.226 5.085 1.00 0.00 H new ATOM 0 HG SER A 63 10.925 -20.727 4.383 1.00 0.00 H new ATOM 976 N GLU A 64 13.276 -16.652 5.816 1.00 0.00 N ATOM 977 CA GLU A 64 14.202 -15.546 5.597 1.00 0.00 C ATOM 978 C GLU A 64 14.223 -15.136 4.127 1.00 0.00 C ATOM 979 O GLU A 64 14.449 -13.971 3.801 1.00 0.00 O ATOM 980 CB GLU A 64 15.610 -15.934 6.051 1.00 0.00 C ATOM 981 CG GLU A 64 15.888 -15.613 7.510 1.00 0.00 C ATOM 982 CD GLU A 64 16.350 -16.822 8.299 1.00 0.00 C ATOM 983 OE1 GLU A 64 15.484 -17.552 8.827 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.576 -17.041 8.388 1.00 0.00 O ATOM 0 H GLU A 64 13.708 -17.495 6.196 1.00 0.00 H new ATOM 0 HA GLU A 64 13.859 -14.696 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.754 -17.002 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.339 -15.416 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.649 -14.835 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.984 -15.210 7.967 1.00 0.00 H new ATOM 991 N LYS A 65 13.986 -16.102 3.245 1.00 0.00 N ATOM 992 CA LYS A 65 13.978 -15.841 1.810 1.00 0.00 C ATOM 993 C LYS A 65 12.722 -15.077 1.401 1.00 0.00 C ATOM 994 O LYS A 65 12.773 -14.186 0.553 1.00 0.00 O ATOM 995 CB LYS A 65 14.066 -17.153 1.031 1.00 0.00 C ATOM 996 CG LYS A 65 15.488 -17.667 0.861 1.00 0.00 C ATOM 997 CD LYS A 65 15.721 -18.944 1.653 1.00 0.00 C ATOM 998 CE LYS A 65 16.435 -18.663 2.967 1.00 0.00 C ATOM 999 NZ LYS A 65 15.827 -19.415 4.100 1.00 0.00 N ATOM 0 H LYS A 65 13.797 -17.072 3.499 1.00 0.00 H new ATOM 0 HA LYS A 65 14.847 -15.227 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.474 -17.911 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.620 -17.012 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.684 -17.852 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.193 -16.902 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.765 -19.429 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.313 -19.640 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.487 -18.934 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.398 -17.594 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.341 -19.197 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.830 -19.138 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.885 -20.436 3.910 1.00 0.00 H new ATOM 1013 N LYS A 66 11.596 -15.432 2.010 1.00 0.00 N ATOM 1014 CA LYS A 66 10.326 -14.781 1.709 1.00 0.00 C ATOM 1015 C LYS A 66 10.217 -13.440 2.427 1.00 0.00 C ATOM 1016 O LYS A 66 9.736 -12.458 1.859 1.00 0.00 O ATOM 1017 CB LYS A 66 9.158 -15.684 2.110 1.00 0.00 C ATOM 1018 CG LYS A 66 9.118 -17.001 1.352 1.00 0.00 C ATOM 1019 CD LYS A 66 7.744 -17.646 1.429 1.00 0.00 C ATOM 1020 CE LYS A 66 7.739 -19.024 0.788 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.880 -19.982 1.537 1.00 0.00 N ATOM 0 H LYS A 66 11.537 -16.167 2.715 1.00 0.00 H new ATOM 0 HA LYS A 66 10.285 -14.601 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.220 -15.891 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.223 -15.150 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.383 -16.830 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.864 -17.681 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.437 -17.727 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.013 -17.009 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.384 -18.945 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.758 -19.408 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.904 -20.910 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.233 -20.077 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.902 -19.629 1.557 1.00 0.00 H new ATOM 1035 N LYS A 67 10.664 -13.404 3.677 1.00 0.00 N ATOM 1036 CA LYS A 67 10.616 -12.183 4.473 1.00 0.00 C ATOM 1037 C LYS A 67 11.419 -11.068 3.809 1.00 0.00 C ATOM 1038 O LYS A 67 11.013 -9.906 3.821 1.00 0.00 O ATOM 1039 CB LYS A 67 11.152 -12.445 5.882 1.00 0.00 C ATOM 1040 CG LYS A 67 10.073 -12.839 6.878 1.00 0.00 C ATOM 1041 CD LYS A 67 10.349 -14.204 7.491 1.00 0.00 C ATOM 1042 CE LYS A 67 9.518 -14.429 8.744 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.293 -15.129 9.805 1.00 0.00 N ATOM 0 H LYS A 67 11.064 -14.207 4.162 1.00 0.00 H new ATOM 0 HA LYS A 67 9.576 -11.865 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.900 -13.237 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.658 -11.549 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.015 -12.090 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.104 -12.853 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.128 -14.983 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.408 -14.287 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.167 -13.470 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.634 -15.015 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.692 -15.264 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.607 -16.055 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.123 -14.558 10.063 1.00 0.00 H new ATOM 1057 N ALA A 68 12.558 -11.430 3.230 1.00 0.00 N ATOM 1058 CA ALA A 68 13.417 -10.460 2.560 1.00 0.00 C ATOM 1059 C ALA A 68 12.680 -9.770 1.418 1.00 0.00 C ATOM 1060 O ALA A 68 12.970 -8.621 1.083 1.00 0.00 O ATOM 1061 CB ALA A 68 14.677 -11.139 2.045 1.00 0.00 C ATOM 0 H ALA A 68 12.908 -12.388 3.211 1.00 0.00 H new ATOM 0 HA ALA A 68 13.699 -9.698 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.309 -10.404 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.221 -11.579 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.405 -11.922 1.337 1.00 0.00 H new ATOM 1067 N LYS A 69 11.726 -10.477 0.822 1.00 0.00 N ATOM 1068 CA LYS A 69 10.948 -9.933 -0.285 1.00 0.00 C ATOM 1069 C LYS A 69 10.217 -8.662 0.135 1.00 0.00 C ATOM 1070 O LYS A 69 10.227 -7.662 -0.583 1.00 0.00 O ATOM 1071 CB LYS A 69 9.942 -10.971 -0.787 1.00 0.00 C ATOM 1072 CG LYS A 69 10.587 -12.254 -1.284 1.00 0.00 C ATOM 1073 CD LYS A 69 10.411 -12.424 -2.785 1.00 0.00 C ATOM 1074 CE LYS A 69 11.612 -13.114 -3.413 1.00 0.00 C ATOM 1075 NZ LYS A 69 11.968 -12.520 -4.731 1.00 0.00 N ATOM 0 H LYS A 69 11.473 -11.429 1.087 1.00 0.00 H new ATOM 0 HA LYS A 69 11.637 -9.684 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.248 -11.212 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.354 -10.534 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.649 -12.246 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.148 -13.107 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.511 -13.006 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.268 -11.448 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.466 -13.041 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.396 -14.175 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.791 -13.018 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.163 -12.612 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.199 -11.514 -4.607 1.00 0.00 H new ATOM 1089 N TYR A 70 9.582 -8.708 1.302 1.00 0.00 N ATOM 1090 CA TYR A 70 8.846 -7.560 1.817 1.00 0.00 C ATOM 1091 C TYR A 70 9.759 -6.643 2.625 1.00 0.00 C ATOM 1092 O TYR A 70 9.590 -5.424 2.622 1.00 0.00 O ATOM 1093 CB TYR A 70 7.674 -8.026 2.684 1.00 0.00 C ATOM 1094 CG TYR A 70 6.877 -9.155 2.070 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.843 -8.895 1.178 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.159 -10.479 2.381 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.112 -9.925 0.616 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.432 -11.513 1.821 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.410 -11.230 0.939 1.00 0.00 C ATOM 1100 OH TYR A 70 4.685 -12.258 0.381 1.00 0.00 O ATOM 0 H TYR A 70 9.563 -9.528 1.908 1.00 0.00 H new ATOM 0 HA TYR A 70 8.460 -6.998 0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.055 -8.347 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.010 -7.181 2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.607 -7.873 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.959 -10.704 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.310 -9.707 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.663 -12.537 2.073 1.00 0.00 H new ATOM 0 HH TYR A 70 5.024 -13.115 0.713 1.00 0.00 H new ATOM 1110 N LYS A 71 10.724 -7.239 3.317 1.00 0.00 N ATOM 1111 CA LYS A 71 11.664 -6.476 4.130 1.00 0.00 C ATOM 1112 C LYS A 71 12.512 -5.554 3.262 1.00 0.00 C ATOM 1113 O LYS A 71 12.922 -4.478 3.699 1.00 0.00 O ATOM 1114 CB LYS A 71 12.566 -7.421 4.926 1.00 0.00 C ATOM 1115 CG LYS A 71 12.004 -7.796 6.287 1.00 0.00 C ATOM 1116 CD LYS A 71 12.931 -8.746 7.030 1.00 0.00 C ATOM 1117 CE LYS A 71 12.370 -9.116 8.395 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.446 -9.493 9.353 1.00 0.00 N ATOM 0 H LYS A 71 10.876 -8.248 3.331 1.00 0.00 H new ATOM 0 HA LYS A 71 11.090 -5.863 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.728 -8.330 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.540 -6.952 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.853 -6.894 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.027 -8.263 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.078 -9.650 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.910 -8.281 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.805 -8.274 8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.672 -9.946 8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.023 -9.738 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.969 -10.312 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.098 -8.692 9.475 1.00 0.00 H new ATOM 1132 N ALA A 72 12.772 -5.980 2.031 1.00 0.00 N ATOM 1133 CA ALA A 72 13.572 -5.192 1.102 1.00 0.00 C ATOM 1134 C ALA A 72 12.787 -3.992 0.582 1.00 0.00 C ATOM 1135 O ALA A 72 13.353 -2.928 0.331 1.00 0.00 O ATOM 1136 CB ALA A 72 14.042 -6.057 -0.057 1.00 0.00 C ATOM 0 H ALA A 72 12.440 -6.867 1.653 1.00 0.00 H new ATOM 0 HA ALA A 72 14.444 -4.819 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.638 -5.454 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.648 -6.879 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.177 -6.459 -0.585 1.00 0.00 H new ATOM 1142 N ARG A 73 11.479 -4.170 0.426 1.00 0.00 N ATOM 1143 CA ARG A 73 10.615 -3.102 -0.063 1.00 0.00 C ATOM 1144 C ARG A 73 10.397 -2.040 1.011 1.00 0.00 C ATOM 1145 O ARG A 73 10.158 -0.871 0.702 1.00 0.00 O ATOM 1146 CB ARG A 73 9.268 -3.673 -0.511 1.00 0.00 C ATOM 1147 CG ARG A 73 9.383 -4.699 -1.626 1.00 0.00 C ATOM 1148 CD ARG A 73 8.066 -5.425 -1.855 1.00 0.00 C ATOM 1149 NE ARG A 73 7.744 -5.539 -3.276 1.00 0.00 N ATOM 1150 CZ ARG A 73 8.291 -6.440 -4.089 1.00 0.00 C ATOM 1151 NH1 ARG A 73 9.186 -7.305 -3.628 1.00 0.00 N ATOM 1152 NH2 ARG A 73 7.943 -6.475 -5.369 1.00 0.00 N ATOM 0 H ARG A 73 10.994 -5.044 0.631 1.00 0.00 H new ATOM 0 HA ARG A 73 11.107 -2.634 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.775 -4.133 0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.629 -2.855 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.691 -4.204 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.160 -5.422 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.119 -6.421 -1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.265 -4.892 -1.343 1.00 0.00 H new ATOM 0 HE ARG A 73 7.061 -4.891 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.458 -7.282 -2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.601 -7.993 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.257 -5.812 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.362 -7.165 -5.993 1.00 0.00 H new ATOM 1166 N GLU A 74 10.479 -2.452 2.273 1.00 0.00 N ATOM 1167 CA GLU A 74 10.289 -1.535 3.392 1.00 0.00 C ATOM 1168 C GLU A 74 11.266 -0.365 3.313 1.00 0.00 C ATOM 1169 O GLU A 74 10.909 0.775 3.610 1.00 0.00 O ATOM 1170 CB GLU A 74 10.468 -2.275 4.719 1.00 0.00 C ATOM 1171 CG GLU A 74 10.105 -1.439 5.935 1.00 0.00 C ATOM 1172 CD GLU A 74 11.265 -0.603 6.436 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.427 -0.997 6.201 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.013 0.447 7.064 1.00 0.00 O ATOM 0 H GLU A 74 10.676 -3.415 2.546 1.00 0.00 H new ATOM 0 HA GLU A 74 9.275 -1.140 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.852 -3.174 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.505 -2.599 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.271 -0.783 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.764 -2.097 6.735 1.00 0.00 H new ATOM 1181 N ALA A 75 12.500 -0.655 2.912 1.00 0.00 N ATOM 1182 CA ALA A 75 13.527 0.372 2.795 1.00 0.00 C ATOM 1183 C ALA A 75 13.107 1.458 1.808 1.00 0.00 C ATOM 1184 O ALA A 75 13.493 2.619 1.947 1.00 0.00 O ATOM 1185 CB ALA A 75 14.849 -0.251 2.370 1.00 0.00 C ATOM 0 H ALA A 75 12.812 -1.594 2.663 1.00 0.00 H new ATOM 0 HA ALA A 75 13.656 0.837 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.608 0.527 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.162 -0.984 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.726 -0.743 1.405 1.00 0.00 H new ATOM 1191 N ALA A 76 12.318 1.073 0.812 1.00 0.00 N ATOM 1192 CA ALA A 76 11.848 2.013 -0.198 1.00 0.00 C ATOM 1193 C ALA A 76 10.514 2.633 0.206 1.00 0.00 C ATOM 1194 O ALA A 76 10.237 3.791 -0.105 1.00 0.00 O ATOM 1195 CB ALA A 76 11.722 1.319 -1.546 1.00 0.00 C ATOM 0 H ALA A 76 11.990 0.116 0.682 1.00 0.00 H new ATOM 0 HA ALA A 76 12.581 2.815 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.370 2.033 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.695 0.930 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.011 0.497 -1.467 1.00 0.00 H new ATOM 1201 N LEU A 77 9.691 1.853 0.899 1.00 0.00 N ATOM 1202 CA LEU A 77 8.385 2.326 1.345 1.00 0.00 C ATOM 1203 C LEU A 77 8.525 3.292 2.518 1.00 0.00 C ATOM 1204 O LEU A 77 7.780 4.266 2.624 1.00 0.00 O ATOM 1205 CB LEU A 77 7.502 1.143 1.748 1.00 0.00 C ATOM 1206 CG LEU A 77 7.140 0.187 0.610 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.372 -1.012 1.144 1.00 0.00 C ATOM 1208 CD2 LEU A 77 6.330 0.910 -0.455 1.00 0.00 C ATOM 0 H LEU A 77 9.905 0.891 1.164 1.00 0.00 H new ATOM 0 HA LEU A 77 7.917 2.856 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.012 0.578 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.581 1.529 2.184 1.00 0.00 H new ATOM 0 HG LEU A 77 8.063 -0.172 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.123 -1.681 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.987 -1.544 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.455 -0.672 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.081 0.215 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.412 1.298 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.915 1.736 -0.859 1.00 0.00 H new ATOM 1220 N LYS A 78 9.484 3.016 3.395 1.00 0.00 N ATOM 1221 CA LYS A 78 9.721 3.861 4.560 1.00 0.00 C ATOM 1222 C LYS A 78 10.072 5.285 4.139 1.00 0.00 C ATOM 1223 O LYS A 78 9.768 6.244 4.848 1.00 0.00 O ATOM 1224 CB LYS A 78 10.844 3.278 5.420 1.00 0.00 C ATOM 1225 CG LYS A 78 10.741 3.655 6.889 1.00 0.00 C ATOM 1226 CD LYS A 78 12.018 3.314 7.640 1.00 0.00 C ATOM 1227 CE LYS A 78 11.868 3.563 9.133 1.00 0.00 C ATOM 1228 NZ LYS A 78 12.281 4.943 9.511 1.00 0.00 N ATOM 0 H LYS A 78 10.110 2.214 3.321 1.00 0.00 H new ATOM 0 HA LYS A 78 8.803 3.892 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.833 2.192 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.803 3.620 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.538 4.722 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.899 3.131 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.275 2.269 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.842 3.913 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.830 3.402 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.470 2.840 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.789 4.917 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.905 5.332 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.438 5.545 9.603 1.00 0.00 H new ATOM 1242 N ALA A 79 10.715 5.414 2.983 1.00 0.00 N ATOM 1243 CA ALA A 79 11.106 6.721 2.470 1.00 0.00 C ATOM 1244 C ALA A 79 9.887 7.599 2.213 1.00 0.00 C ATOM 1245 O ALA A 79 9.946 8.820 2.361 1.00 0.00 O ATOM 1246 CB ALA A 79 11.923 6.564 1.196 1.00 0.00 C ATOM 0 H ALA A 79 10.976 4.630 2.385 1.00 0.00 H new ATOM 0 HA ALA A 79 11.720 7.211 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.209 7.548 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.820 5.982 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.327 6.050 0.442 1.00 0.00 H new ATOM 1252 N GLN A 80 8.782 6.969 1.829 1.00 0.00 N ATOM 1253 CA GLN A 80 7.547 7.694 1.552 1.00 0.00 C ATOM 1254 C GLN A 80 6.978 8.307 2.828 1.00 0.00 C ATOM 1255 O GLN A 80 6.546 9.459 2.834 1.00 0.00 O ATOM 1256 CB GLN A 80 6.514 6.760 0.917 1.00 0.00 C ATOM 1257 CG GLN A 80 6.560 6.745 -0.602 1.00 0.00 C ATOM 1258 CD GLN A 80 5.680 5.666 -1.201 1.00 0.00 C ATOM 1259 OE1 GLN A 80 5.337 4.688 -0.538 1.00 0.00 O ATOM 1260 NE2 GLN A 80 5.308 5.841 -2.464 1.00 0.00 N ATOM 0 H GLN A 80 8.716 5.959 1.703 1.00 0.00 H new ATOM 0 HA GLN A 80 7.777 8.499 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.676 5.748 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.517 7.062 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.245 7.717 -0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.589 6.593 -0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.616 6.667 -2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.714 5.149 -2.921 1.00 0.00 H new ATOM 1269 N SER A 81 6.983 7.530 3.905 1.00 0.00 N ATOM 1270 CA SER A 81 6.468 7.998 5.187 1.00 0.00 C ATOM 1271 C SER A 81 7.609 8.368 6.130 1.00 0.00 C ATOM 1272 O SER A 81 7.523 8.154 7.339 1.00 0.00 O ATOM 1273 CB SER A 81 5.588 6.924 5.830 1.00 0.00 C ATOM 1274 OG SER A 81 5.014 6.079 4.847 1.00 0.00 O ATOM 0 H SER A 81 7.338 6.574 3.916 1.00 0.00 H new ATOM 0 HA SER A 81 5.867 8.889 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.183 6.329 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.798 7.398 6.413 1.00 0.00 H new ATOM 0 HG SER A 81 4.212 5.650 5.212 1.00 0.00 H new ATOM 1280 N GLU A 82 8.676 8.926 5.568 1.00 0.00 N ATOM 1281 CA GLU A 82 9.834 9.326 6.358 1.00 0.00 C ATOM 1282 C GLU A 82 10.874 10.023 5.485 1.00 0.00 C ATOM 1283 O GLU A 82 11.361 9.455 4.509 1.00 0.00 O ATOM 1284 CB GLU A 82 10.458 8.109 7.040 1.00 0.00 C ATOM 1285 CG GLU A 82 11.303 8.458 8.256 1.00 0.00 C ATOM 1286 CD GLU A 82 10.622 8.102 9.562 1.00 0.00 C ATOM 1287 OE1 GLU A 82 9.863 7.110 9.586 1.00 0.00 O ATOM 1288 OE2 GLU A 82 10.847 8.815 10.563 1.00 0.00 O ATOM 0 H GLU A 82 8.763 9.111 4.569 1.00 0.00 H new ATOM 0 HA GLU A 82 9.497 10.028 7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.664 7.426 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.078 7.577 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.257 7.934 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.525 9.525 8.245 1.00 0.00 H new ATOM 1295 N ARG A 83 11.208 11.258 5.845 1.00 0.00 N ATOM 1296 CA ARG A 83 12.190 12.033 5.096 1.00 0.00 C ATOM 1297 C ARG A 83 13.221 12.656 6.031 1.00 0.00 C ATOM 1298 O ARG A 83 12.900 13.543 6.823 1.00 0.00 O ATOM 1299 CB ARG A 83 11.495 13.128 4.283 1.00 0.00 C ATOM 1300 CG ARG A 83 12.258 13.535 3.034 1.00 0.00 C ATOM 1301 CD ARG A 83 12.248 12.431 1.990 1.00 0.00 C ATOM 1302 NE ARG A 83 13.466 12.429 1.183 1.00 0.00 N ATOM 1303 CZ ARG A 83 13.685 13.262 0.168 1.00 0.00 C ATOM 1304 NH1 ARG A 83 12.773 14.168 -0.165 1.00 0.00 N ATOM 1305 NH2 ARG A 83 14.819 13.192 -0.515 1.00 0.00 N ATOM 0 H ARG A 83 10.813 11.743 6.651 1.00 0.00 H new ATOM 0 HA ARG A 83 12.706 11.356 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.503 12.781 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.355 14.005 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.815 14.438 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.287 13.778 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.139 11.466 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.382 12.555 1.339 1.00 0.00 H new ATOM 0 HE ARG A 83 14.191 11.749 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.899 14.228 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.946 14.804 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.524 12.500 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.986 13.831 -1.293 1.00 0.00 H new ATOM 1319 N LYS A 84 14.460 12.187 5.936 1.00 0.00 N ATOM 1320 CA LYS A 84 15.540 12.697 6.773 1.00 0.00 C ATOM 1321 C LYS A 84 15.256 12.432 8.248 1.00 0.00 C ATOM 1322 O LYS A 84 14.100 12.389 8.670 1.00 0.00 O ATOM 1323 CB LYS A 84 15.731 14.196 6.540 1.00 0.00 C ATOM 1324 CG LYS A 84 17.169 14.660 6.709 1.00 0.00 C ATOM 1325 CD LYS A 84 17.932 14.598 5.396 1.00 0.00 C ATOM 1326 CE LYS A 84 19.418 14.841 5.603 1.00 0.00 C ATOM 1327 NZ LYS A 84 20.245 14.097 4.613 1.00 0.00 N ATOM 0 H LYS A 84 14.742 11.453 5.286 1.00 0.00 H new ATOM 0 HA LYS A 84 16.456 12.175 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.394 14.445 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 84 15.096 14.747 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.181 15.681 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 84 17.669 14.037 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.783 13.623 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.533 15.342 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 84 19.626 15.908 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.699 14.538 6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 21.252 14.289 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.066 13.077 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.996 14.405 3.651 1.00 0.00 H new ATOM 1341 N SER A 85 16.318 12.255 9.028 1.00 0.00 N ATOM 1342 CA SER A 85 16.182 11.994 10.457 1.00 0.00 C ATOM 1343 C SER A 85 17.382 12.537 11.225 1.00 0.00 C ATOM 1344 O SER A 85 17.781 11.979 12.248 1.00 0.00 O ATOM 1345 CB SER A 85 16.035 10.492 10.711 1.00 0.00 C ATOM 1346 OG SER A 85 15.792 10.228 12.082 1.00 0.00 O ATOM 0 H SER A 85 17.282 12.288 8.695 1.00 0.00 H new ATOM 0 HA SER A 85 15.286 12.504 10.811 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.216 10.097 10.111 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.941 9.976 10.393 1.00 0.00 H new ATOM 0 HG SER A 85 16.442 10.716 12.629 1.00 0.00 H new ATOM 1352 N GLY A 86 17.955 13.627 10.725 1.00 0.00 N ATOM 1353 CA GLY A 86 19.105 14.226 11.378 1.00 0.00 C ATOM 1354 C GLY A 86 18.709 15.233 12.442 1.00 0.00 C ATOM 1355 O GLY A 86 17.550 15.281 12.851 1.00 0.00 O ATOM 0 H GLY A 86 17.644 14.106 9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.711 13.442 11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.728 14.718 10.631 1.00 0.00 H new ATOM 1359 N PRO A 87 19.660 16.057 12.914 1.00 0.00 N ATOM 1360 CA PRO A 87 19.390 17.068 13.942 1.00 0.00 C ATOM 1361 C PRO A 87 18.526 18.209 13.418 1.00 0.00 C ATOM 1362 O PRO A 87 19.036 19.186 12.869 1.00 0.00 O ATOM 1363 CB PRO A 87 20.783 17.578 14.314 1.00 0.00 C ATOM 1364 CG PRO A 87 21.614 17.327 13.105 1.00 0.00 C ATOM 1365 CD PRO A 87 21.071 16.070 12.483 1.00 0.00 C ATOM 0 HA PRO A 87 18.835 16.655 14.784 1.00 0.00 H new ATOM 0 HB2 PRO A 87 20.762 18.638 14.567 1.00 0.00 H new ATOM 0 HB3 PRO A 87 21.178 17.051 15.182 1.00 0.00 H new ATOM 0 HG2 PRO A 87 21.554 18.164 12.409 1.00 0.00 H new ATOM 0 HG3 PRO A 87 22.664 17.209 13.371 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.159 16.089 11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 87 21.606 15.186 12.831 1.00 0.00 H new ATOM 1373 N SER A 88 17.215 18.080 13.592 1.00 0.00 N ATOM 1374 CA SER A 88 16.279 19.102 13.136 1.00 0.00 C ATOM 1375 C SER A 88 15.113 19.245 14.108 1.00 0.00 C ATOM 1376 O SER A 88 14.741 18.290 14.792 1.00 0.00 O ATOM 1377 CB SER A 88 15.756 18.758 11.741 1.00 0.00 C ATOM 1378 OG SER A 88 15.177 19.891 11.119 1.00 0.00 O ATOM 0 H SER A 88 16.776 17.278 14.045 1.00 0.00 H new ATOM 0 HA SER A 88 16.811 20.053 13.093 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.573 18.380 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.016 17.961 11.813 1.00 0.00 H new ATOM 0 HG SER A 88 14.852 19.645 10.228 1.00 0.00 H new ATOM 1384 N SER A 89 14.539 20.442 14.165 1.00 0.00 N ATOM 1385 CA SER A 89 13.414 20.709 15.054 1.00 0.00 C ATOM 1386 C SER A 89 12.094 20.329 14.390 1.00 0.00 C ATOM 1387 O SER A 89 11.522 21.111 13.630 1.00 0.00 O ATOM 1388 CB SER A 89 13.391 22.186 15.451 1.00 0.00 C ATOM 1389 OG SER A 89 14.121 22.405 16.646 1.00 0.00 O ATOM 0 H SER A 89 14.834 21.243 13.606 1.00 0.00 H new ATOM 0 HA SER A 89 13.538 20.100 15.950 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.814 22.788 14.647 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.360 22.513 15.586 1.00 0.00 H new ATOM 0 HG SER A 89 14.092 23.357 16.877 1.00 0.00 H new ATOM 1395 N GLY A 90 11.616 19.125 14.683 1.00 0.00 N ATOM 1396 CA GLY A 90 10.366 18.662 14.107 1.00 0.00 C ATOM 1397 C GLY A 90 10.539 17.398 13.287 1.00 0.00 C ATOM 1398 O GLY A 90 10.533 16.300 13.883 1.00 0.00 O ATOM 1399 OXT GLY A 90 10.679 17.505 12.051 1.00 0.00 O ATOM 0 H GLY A 90 12.071 18.461 15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.648 18.478 14.906 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.947 19.446 13.476 1.00 0.00 H new TER 1403 GLY A 90