USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 782 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 24 SER OG : rot -94:sc= 0.421! USER MOD Set 1.2: A 77 LYS NZ :NH3+ -168:sc= 2.56 (180deg=1.18) USER MOD Set 2.1: A 13 HIS : no HD1:sc= 0.00554 K(o=-0.8,f=-1.5) USER MOD Set 2.2: A 62 GLN :FLIP amide:sc= -0.808 F(o=-1.6,f=-0.8) USER MOD Set 3.1: A 1 GLY N :NH3+ 175:sc= 0.852 (180deg=0) USER MOD Set 3.2: A 10 GLN : amide:sc= -0.281 K(o=0.57,f=-5.6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.02) USER MOD Single : A 8 SER OG : rot 6:sc= 0.631 USER MOD Single : A 9 SER OG : rot -83:sc= 1.32 USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= 0.932 (180deg=-1.86!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 27 ASN :FLIP amide:sc= -1.84 F(o=-5.5!,f=-1.8) USER MOD Single : A 32 SER OG : rot 180:sc= -1.37 USER MOD Single : A 33 TYR OH : rot 148:sc= 0.123 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.52! C(o=-2.5!,f=-8.7!) USER MOD Single : A 40 GLN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 44 SER OG : rot 88:sc= 0.173 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -3.27! C(o=-3.8!,f=-3.3!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.277 F(o=-2.3!,f=-0.28) USER MOD Single : A 67 MET CE :methyl -168:sc=-0.00433 (180deg=-0.191) USER MOD Single : A 70 HIS : no HD1:sc= 1.02 K(o=1,f=-6!) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= -0.448 (180deg=-0.466) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000845) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.537 F(o=-1.4,f=-0.54) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.16) USER MOD Single : A 94 SER OG : rot -149:sc= -0.689 USER MOD Single : A 95 THR OG1 : rot -51:sc= 0.714 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -6:sc= 0.477 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.030 -2.412 3.057 1.00 0.00 N ATOM 2 CA GLY A 1 -19.091 -2.666 2.049 1.00 0.00 C ATOM 3 C GLY A 1 -20.291 -1.760 2.232 1.00 0.00 C ATOM 4 O GLY A 1 -20.451 -0.776 1.511 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.269 -3.111 2.943 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.645 -1.456 2.922 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.433 -2.491 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.680 -2.523 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.411 -3.706 2.116 1.00 0.00 H new ATOM 10 N SER A 2 -21.134 -2.090 3.197 1.00 0.00 N ATOM 11 CA SER A 2 -22.320 -1.300 3.491 1.00 0.00 C ATOM 12 C SER A 2 -22.487 -1.160 5.000 1.00 0.00 C ATOM 13 O SER A 2 -22.575 -2.160 5.716 1.00 0.00 O ATOM 14 CB SER A 2 -23.561 -1.956 2.881 1.00 0.00 C ATOM 15 OG SER A 2 -23.438 -2.081 1.472 1.00 0.00 O ATOM 0 H SER A 2 -21.017 -2.908 3.796 1.00 0.00 H new ATOM 0 HA SER A 2 -22.201 -0.309 3.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.709 -2.941 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.443 -1.363 3.120 1.00 0.00 H new ATOM 0 HG SER A 2 -24.244 -2.505 1.110 1.00 0.00 H new ATOM 21 N GLU A 3 -22.532 0.084 5.474 1.00 0.00 N ATOM 22 CA GLU A 3 -22.605 0.372 6.902 1.00 0.00 C ATOM 23 C GLU A 3 -22.820 1.865 7.112 1.00 0.00 C ATOM 24 O GLU A 3 -23.617 2.279 7.949 1.00 0.00 O ATOM 25 CB GLU A 3 -21.333 -0.101 7.622 1.00 0.00 C ATOM 26 CG GLU A 3 -20.047 0.469 7.047 1.00 0.00 C ATOM 27 CD GLU A 3 -18.813 -0.144 7.671 1.00 0.00 C ATOM 28 OE1 GLU A 3 -18.365 0.348 8.725 1.00 0.00 O ATOM 29 OE2 GLU A 3 -18.285 -1.120 7.104 1.00 0.00 O ATOM 0 H GLU A 3 -22.519 0.914 4.882 1.00 0.00 H new ATOM 0 HA GLU A 3 -23.448 -0.172 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.401 0.173 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -21.287 -1.189 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.028 0.300 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.031 1.548 7.201 1.00 0.00 H new ATOM 36 N LYS A 4 -22.113 2.669 6.333 1.00 0.00 N ATOM 37 CA LYS A 4 -22.305 4.107 6.351 1.00 0.00 C ATOM 38 C LYS A 4 -23.320 4.470 5.277 1.00 0.00 C ATOM 39 O LYS A 4 -23.039 4.307 4.090 1.00 0.00 O ATOM 40 CB LYS A 4 -20.979 4.831 6.096 1.00 0.00 C ATOM 41 CG LYS A 4 -19.789 4.235 6.835 1.00 0.00 C ATOM 42 CD LYS A 4 -20.018 4.172 8.337 1.00 0.00 C ATOM 43 CE LYS A 4 -18.829 3.545 9.046 1.00 0.00 C ATOM 44 NZ LYS A 4 -19.079 3.345 10.498 1.00 0.00 N ATOM 0 H LYS A 4 -21.399 2.347 5.679 1.00 0.00 H new ATOM 0 HA LYS A 4 -22.671 4.417 7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.771 4.818 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -21.087 5.876 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.594 3.232 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.900 4.831 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.188 5.177 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.917 3.593 8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.598 2.585 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.954 4.181 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.241 2.915 10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.274 4.263 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.898 2.717 10.626 1.00 0.00 H new ATOM 58 N ARG A 5 -24.490 4.941 5.709 1.00 0.00 N ATOM 59 CA ARG A 5 -25.648 5.138 4.831 1.00 0.00 C ATOM 60 C ARG A 5 -25.278 5.808 3.510 1.00 0.00 C ATOM 61 O ARG A 5 -25.295 5.166 2.459 1.00 0.00 O ATOM 62 CB ARG A 5 -26.711 5.963 5.553 1.00 0.00 C ATOM 63 CG ARG A 5 -28.036 6.050 4.808 1.00 0.00 C ATOM 64 CD ARG A 5 -28.763 4.714 4.807 1.00 0.00 C ATOM 65 NE ARG A 5 -29.198 4.334 6.151 1.00 0.00 N ATOM 66 CZ ARG A 5 -28.937 3.159 6.719 1.00 0.00 C ATOM 67 NH1 ARG A 5 -28.231 2.242 6.065 1.00 0.00 N ATOM 68 NH2 ARG A 5 -29.387 2.907 7.945 1.00 0.00 N ATOM 0 H ARG A 5 -24.664 5.198 6.681 1.00 0.00 H new ATOM 0 HA ARG A 5 -26.041 4.150 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -26.887 5.529 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -26.328 6.971 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -28.667 6.808 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -27.857 6.369 3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -29.629 4.771 4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -28.106 3.942 4.405 1.00 0.00 H new ATOM 0 HE ARG A 5 -29.736 5.014 6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -27.887 2.438 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -28.033 1.343 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -29.929 3.612 8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -29.190 2.008 8.386 1.00 0.00 H new ATOM 82 N GLN A 6 -24.938 7.089 3.556 1.00 0.00 N ATOM 83 CA GLN A 6 -24.566 7.800 2.342 1.00 0.00 C ATOM 84 C GLN A 6 -23.067 8.042 2.328 1.00 0.00 C ATOM 85 O GLN A 6 -22.508 8.519 1.341 1.00 0.00 O ATOM 86 CB GLN A 6 -25.318 9.126 2.218 1.00 0.00 C ATOM 87 CG GLN A 6 -24.846 10.201 3.182 1.00 0.00 C ATOM 88 CD GLN A 6 -25.519 11.533 2.926 1.00 0.00 C ATOM 89 OE1 GLN A 6 -26.562 11.829 3.502 1.00 0.00 O ATOM 90 NE2 GLN A 6 -24.937 12.333 2.045 1.00 0.00 N ATOM 0 H GLN A 6 -24.912 7.650 4.408 1.00 0.00 H new ATOM 0 HA GLN A 6 -24.842 7.182 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -25.213 9.496 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -26.380 8.946 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -25.049 9.884 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.766 10.318 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -24.070 12.046 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -25.356 13.236 1.822 1.00 0.00 H new ATOM 99 N HIS A 7 -22.419 7.695 3.431 1.00 0.00 N ATOM 100 CA HIS A 7 -20.977 7.845 3.553 1.00 0.00 C ATOM 101 C HIS A 7 -20.278 6.597 3.016 1.00 0.00 C ATOM 102 O HIS A 7 -19.221 6.195 3.504 1.00 0.00 O ATOM 103 CB HIS A 7 -20.597 8.085 5.018 1.00 0.00 C ATOM 104 CG HIS A 7 -19.252 8.721 5.222 1.00 0.00 C ATOM 105 ND1 HIS A 7 -18.862 9.265 6.425 1.00 0.00 N ATOM 106 CD2 HIS A 7 -18.201 8.889 4.381 1.00 0.00 C ATOM 107 CE1 HIS A 7 -17.635 9.739 6.316 1.00 0.00 C ATOM 108 NE2 HIS A 7 -17.209 9.521 5.087 1.00 0.00 N ATOM 0 H HIS A 7 -22.872 7.306 4.258 1.00 0.00 H new ATOM 0 HA HIS A 7 -20.655 8.705 2.966 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -21.356 8.718 5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -20.616 7.131 5.545 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.154 8.582 3.347 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.074 10.224 7.101 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.293 9.780 4.722 1.00 0.00 H new ATOM 117 N SER A 8 -20.885 5.980 2.011 1.00 0.00 N ATOM 118 CA SER A 8 -20.294 4.836 1.339 1.00 0.00 C ATOM 119 C SER A 8 -19.194 5.313 0.401 1.00 0.00 C ATOM 120 O SER A 8 -19.272 5.162 -0.817 1.00 0.00 O ATOM 121 CB SER A 8 -21.366 4.065 0.569 1.00 0.00 C ATOM 122 OG SER A 8 -22.420 3.664 1.431 1.00 0.00 O ATOM 0 H SER A 8 -21.795 6.258 1.642 1.00 0.00 H new ATOM 0 HA SER A 8 -19.860 4.164 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.763 4.689 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.922 3.188 0.099 1.00 0.00 H new ATOM 0 HG SER A 8 -22.276 4.045 2.322 1.00 0.00 H new ATOM 128 N SER A 9 -18.170 5.893 0.996 1.00 0.00 N ATOM 129 CA SER A 9 -17.042 6.426 0.270 1.00 0.00 C ATOM 130 C SER A 9 -15.807 6.203 1.128 1.00 0.00 C ATOM 131 O SER A 9 -15.094 7.138 1.481 1.00 0.00 O ATOM 132 CB SER A 9 -17.253 7.919 -0.027 1.00 0.00 C ATOM 133 OG SER A 9 -16.620 8.308 -1.237 1.00 0.00 O ATOM 0 H SER A 9 -18.100 6.007 2.007 1.00 0.00 H new ATOM 0 HA SER A 9 -16.925 5.925 -0.691 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.320 8.130 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.859 8.513 0.797 1.00 0.00 H new ATOM 0 HG SER A 9 -15.671 8.486 -1.067 1.00 0.00 H new ATOM 139 N GLN A 10 -15.611 4.936 1.502 1.00 0.00 N ATOM 140 CA GLN A 10 -14.501 4.530 2.359 1.00 0.00 C ATOM 141 C GLN A 10 -13.180 5.016 1.773 1.00 0.00 C ATOM 142 O GLN A 10 -12.307 5.471 2.506 1.00 0.00 O ATOM 143 CB GLN A 10 -14.503 3.006 2.525 1.00 0.00 C ATOM 144 CG GLN A 10 -15.874 2.449 2.891 1.00 0.00 C ATOM 145 CD GLN A 10 -15.884 0.939 3.074 1.00 0.00 C ATOM 146 OE1 GLN A 10 -16.884 0.276 2.788 1.00 0.00 O ATOM 147 NE2 GLN A 10 -14.789 0.386 3.567 1.00 0.00 N ATOM 0 H GLN A 10 -16.217 4.166 1.218 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.621 4.983 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.165 2.544 1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.786 2.729 3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.216 2.921 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.587 2.718 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.981 0.967 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.752 -0.621 3.723 1.00 0.00 H new ATOM 156 N ASP A 11 -13.080 4.918 0.441 1.00 0.00 N ATOM 157 CA ASP A 11 -11.986 5.499 -0.349 1.00 0.00 C ATOM 158 C ASP A 11 -10.634 5.350 0.328 1.00 0.00 C ATOM 159 O ASP A 11 -10.182 6.232 1.064 1.00 0.00 O ATOM 160 CB ASP A 11 -12.282 6.968 -0.628 1.00 0.00 C ATOM 161 CG ASP A 11 -13.560 7.160 -1.417 1.00 0.00 C ATOM 162 OD1 ASP A 11 -14.111 6.158 -1.928 1.00 0.00 O ATOM 163 OD2 ASP A 11 -14.028 8.312 -1.522 1.00 0.00 O ATOM 0 H ASP A 11 -13.768 4.425 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.929 4.948 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.357 7.506 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.449 7.405 -1.179 1.00 0.00 H new ATOM 168 N VAL A 12 -9.971 4.253 0.033 1.00 0.00 N ATOM 169 CA VAL A 12 -8.796 3.862 0.776 1.00 0.00 C ATOM 170 C VAL A 12 -7.510 4.387 0.148 1.00 0.00 C ATOM 171 O VAL A 12 -7.336 4.378 -1.074 1.00 0.00 O ATOM 172 CB VAL A 12 -8.713 2.326 0.922 1.00 0.00 C ATOM 173 CG1 VAL A 12 -8.602 1.651 -0.438 1.00 0.00 C ATOM 174 CG2 VAL A 12 -7.548 1.934 1.816 1.00 0.00 C ATOM 0 H VAL A 12 -10.228 3.615 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.895 4.312 1.764 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.635 1.982 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.545 0.571 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.478 1.897 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.704 2.002 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.507 0.848 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.617 2.297 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.683 2.375 2.804 1.00 0.00 H new ATOM 184 N HIS A 13 -6.634 4.878 1.005 1.00 0.00 N ATOM 185 CA HIS A 13 -5.257 5.148 0.633 1.00 0.00 C ATOM 186 C HIS A 13 -4.380 4.158 1.374 1.00 0.00 C ATOM 187 O HIS A 13 -4.160 4.295 2.577 1.00 0.00 O ATOM 188 CB HIS A 13 -4.834 6.574 0.995 1.00 0.00 C ATOM 189 CG HIS A 13 -5.502 7.646 0.193 1.00 0.00 C ATOM 190 ND1 HIS A 13 -6.393 8.540 0.742 1.00 0.00 N ATOM 191 CD2 HIS A 13 -5.383 7.988 -1.111 1.00 0.00 C ATOM 192 CE1 HIS A 13 -6.792 9.387 -0.186 1.00 0.00 C ATOM 193 NE2 HIS A 13 -6.195 9.076 -1.319 1.00 0.00 N ATOM 0 H HIS A 13 -6.856 5.100 1.975 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.154 5.046 -0.447 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.045 6.744 2.051 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.755 6.662 0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.766 7.498 -1.849 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.490 10.198 -0.042 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.316 9.564 -2.206 1.00 0.00 H new ATOM 202 N VAL A 14 -3.886 3.166 0.668 1.00 0.00 N ATOM 203 CA VAL A 14 -3.188 2.070 1.310 1.00 0.00 C ATOM 204 C VAL A 14 -1.680 2.202 1.147 1.00 0.00 C ATOM 205 O VAL A 14 -1.174 2.514 0.070 1.00 0.00 O ATOM 206 CB VAL A 14 -3.668 0.704 0.762 1.00 0.00 C ATOM 207 CG1 VAL A 14 -3.687 0.697 -0.754 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.800 -0.430 1.279 1.00 0.00 C ATOM 0 H VAL A 14 -3.953 3.093 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.422 2.116 2.374 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.686 0.550 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.028 -0.275 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.364 1.472 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.683 0.889 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.161 -1.377 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.769 -0.272 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.846 -0.456 2.368 1.00 0.00 H new ATOM 218 N VAL A 15 -0.975 1.996 2.243 1.00 0.00 N ATOM 219 CA VAL A 15 0.471 2.041 2.237 1.00 0.00 C ATOM 220 C VAL A 15 1.043 0.668 1.985 1.00 0.00 C ATOM 221 O VAL A 15 0.768 -0.286 2.718 1.00 0.00 O ATOM 222 CB VAL A 15 1.026 2.600 3.563 1.00 0.00 C ATOM 223 CG1 VAL A 15 2.544 2.553 3.573 1.00 0.00 C ATOM 224 CG2 VAL A 15 0.536 4.021 3.794 1.00 0.00 C ATOM 0 H VAL A 15 -1.386 1.794 3.154 1.00 0.00 H new ATOM 0 HA VAL A 15 0.772 2.710 1.431 1.00 0.00 H new ATOM 0 HB VAL A 15 0.658 1.973 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.914 2.952 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.877 1.521 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.932 3.152 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.939 4.396 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.870 4.659 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.553 4.028 3.838 1.00 0.00 H new ATOM 234 N LEU A 16 1.830 0.575 0.937 1.00 0.00 N ATOM 235 CA LEU A 16 2.506 -0.646 0.600 1.00 0.00 C ATOM 236 C LEU A 16 3.994 -0.467 0.822 1.00 0.00 C ATOM 237 O LEU A 16 4.575 0.532 0.410 1.00 0.00 O ATOM 238 CB LEU A 16 2.212 -1.032 -0.851 1.00 0.00 C ATOM 239 CG LEU A 16 2.677 -2.429 -1.238 1.00 0.00 C ATOM 240 CD1 LEU A 16 1.820 -2.992 -2.354 1.00 0.00 C ATOM 241 CD2 LEU A 16 4.137 -2.426 -1.667 1.00 0.00 C ATOM 0 H LEU A 16 2.016 1.347 0.297 1.00 0.00 H new ATOM 0 HA LEU A 16 2.147 -1.453 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.138 -0.959 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.690 -0.308 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 16 2.575 -3.062 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.171 -3.991 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.783 -3.046 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.889 -2.344 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.439 -3.438 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.262 -1.768 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.757 -2.070 -0.845 1.00 0.00 H new ATOM 253 N LYS A 17 4.605 -1.419 1.491 1.00 0.00 N ATOM 254 CA LYS A 17 6.030 -1.362 1.730 1.00 0.00 C ATOM 255 C LYS A 17 6.695 -2.571 1.099 1.00 0.00 C ATOM 256 O LYS A 17 6.133 -3.666 1.106 1.00 0.00 O ATOM 257 CB LYS A 17 6.331 -1.298 3.233 1.00 0.00 C ATOM 258 CG LYS A 17 5.649 -0.143 3.943 1.00 0.00 C ATOM 259 CD LYS A 17 5.853 -0.234 5.440 1.00 0.00 C ATOM 260 CE LYS A 17 5.164 0.904 6.177 1.00 0.00 C ATOM 261 NZ LYS A 17 5.768 2.234 5.904 1.00 0.00 N ATOM 0 H LYS A 17 4.139 -2.240 1.878 1.00 0.00 H new ATOM 0 HA LYS A 17 6.430 -0.456 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.019 -2.234 3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.408 -1.215 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.047 0.802 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.583 -0.150 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.467 -1.187 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.920 -0.217 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.112 0.926 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.202 0.709 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.908 2.742 6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.685 2.108 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.134 2.784 5.290 1.00 0.00 H new ATOM 275 N LEU A 18 7.890 -2.367 0.577 1.00 0.00 N ATOM 276 CA LEU A 18 8.643 -3.421 -0.075 1.00 0.00 C ATOM 277 C LEU A 18 9.656 -3.964 0.903 1.00 0.00 C ATOM 278 O LEU A 18 10.225 -3.210 1.681 1.00 0.00 O ATOM 279 CB LEU A 18 9.376 -2.856 -1.290 1.00 0.00 C ATOM 280 CG LEU A 18 8.502 -2.500 -2.491 1.00 0.00 C ATOM 281 CD1 LEU A 18 9.210 -1.485 -3.376 1.00 0.00 C ATOM 282 CD2 LEU A 18 8.180 -3.751 -3.291 1.00 0.00 C ATOM 0 H LEU A 18 8.366 -1.465 0.593 1.00 0.00 H new ATOM 0 HA LEU A 18 7.966 -4.211 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.916 -1.961 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.122 -3.583 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 18 7.572 -2.062 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.576 -1.240 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.412 -0.580 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.150 -1.906 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.556 -3.486 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.106 -4.205 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.646 -4.460 -2.658 1.00 0.00 H new ATOM 294 N TRP A 19 9.862 -5.263 0.878 1.00 0.00 N ATOM 295 CA TRP A 19 10.730 -5.910 1.837 1.00 0.00 C ATOM 296 C TRP A 19 11.733 -6.806 1.132 1.00 0.00 C ATOM 297 O TRP A 19 11.806 -6.824 -0.094 1.00 0.00 O ATOM 298 CB TRP A 19 9.916 -6.767 2.797 1.00 0.00 C ATOM 299 CG TRP A 19 8.744 -6.081 3.401 1.00 0.00 C ATOM 300 CD1 TRP A 19 7.439 -6.334 3.122 1.00 0.00 C ATOM 301 CD2 TRP A 19 8.754 -5.033 4.370 1.00 0.00 C ATOM 302 NE1 TRP A 19 6.633 -5.572 3.912 1.00 0.00 N ATOM 303 CE2 TRP A 19 7.413 -4.754 4.676 1.00 0.00 C ATOM 304 CE3 TRP A 19 9.757 -4.315 5.022 1.00 0.00 C ATOM 305 CZ2 TRP A 19 7.045 -3.804 5.608 1.00 0.00 C ATOM 306 CZ3 TRP A 19 9.389 -3.352 5.942 1.00 0.00 C ATOM 307 CH2 TRP A 19 8.044 -3.108 6.232 1.00 0.00 C ATOM 0 H TRP A 19 9.437 -5.895 0.199 1.00 0.00 H new ATOM 0 HA TRP A 19 11.255 -5.129 2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.567 -7.653 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.570 -7.113 3.598 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.091 -7.038 2.381 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.614 -5.607 3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 19 10.799 -4.508 4.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.006 -3.617 5.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.153 -2.778 6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.788 -2.355 6.963 1.00 0.00 H new ATOM 318 N LYS A 20 12.496 -7.561 1.904 1.00 0.00 N ATOM 319 CA LYS A 20 13.438 -8.502 1.329 1.00 0.00 C ATOM 320 C LYS A 20 12.712 -9.734 0.787 1.00 0.00 C ATOM 321 O LYS A 20 13.075 -10.273 -0.260 1.00 0.00 O ATOM 322 CB LYS A 20 14.512 -8.891 2.358 1.00 0.00 C ATOM 323 CG LYS A 20 13.968 -9.483 3.652 1.00 0.00 C ATOM 324 CD LYS A 20 14.065 -11.001 3.663 1.00 0.00 C ATOM 325 CE LYS A 20 13.539 -11.573 4.969 1.00 0.00 C ATOM 326 NZ LYS A 20 13.912 -12.999 5.158 1.00 0.00 N ATOM 0 H LYS A 20 12.481 -7.540 2.924 1.00 0.00 H new ATOM 0 HA LYS A 20 13.940 -8.019 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.190 -9.612 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.102 -8.007 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.522 -9.077 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.927 -9.184 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.497 -11.411 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.103 -11.303 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.927 -10.986 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.453 -11.479 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.529 -13.341 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.520 -13.566 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.948 -13.089 5.164 1.00 0.00 H new ATOM 340 N SER A 21 11.673 -10.166 1.492 1.00 0.00 N ATOM 341 CA SER A 21 10.898 -11.323 1.071 1.00 0.00 C ATOM 342 C SER A 21 9.783 -10.920 0.113 1.00 0.00 C ATOM 343 O SER A 21 9.592 -11.544 -0.931 1.00 0.00 O ATOM 344 CB SER A 21 10.306 -12.046 2.283 1.00 0.00 C ATOM 345 OG SER A 21 11.318 -12.666 3.058 1.00 0.00 O ATOM 0 H SER A 21 11.349 -9.732 2.356 1.00 0.00 H new ATOM 0 HA SER A 21 11.574 -12.000 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.756 -11.335 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.591 -12.797 1.948 1.00 0.00 H new ATOM 0 HG SER A 21 10.911 -13.118 3.826 1.00 0.00 H new ATOM 351 N GLY A 22 9.054 -9.872 0.462 1.00 0.00 N ATOM 352 CA GLY A 22 7.918 -9.479 -0.335 1.00 0.00 C ATOM 353 C GLY A 22 7.457 -8.074 -0.036 1.00 0.00 C ATOM 354 O GLY A 22 8.263 -7.155 0.022 1.00 0.00 O ATOM 0 H GLY A 22 9.230 -9.290 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.176 -9.556 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.096 -10.173 -0.157 1.00 0.00 H new ATOM 358 N PHE A 23 6.164 -7.903 0.156 1.00 0.00 N ATOM 359 CA PHE A 23 5.600 -6.583 0.388 1.00 0.00 C ATOM 360 C PHE A 23 4.416 -6.685 1.346 1.00 0.00 C ATOM 361 O PHE A 23 3.803 -7.745 1.468 1.00 0.00 O ATOM 362 CB PHE A 23 5.162 -5.960 -0.943 1.00 0.00 C ATOM 363 CG PHE A 23 3.965 -6.631 -1.527 1.00 0.00 C ATOM 364 CD1 PHE A 23 4.091 -7.822 -2.209 1.00 0.00 C ATOM 365 CD2 PHE A 23 2.710 -6.078 -1.369 1.00 0.00 C ATOM 366 CE1 PHE A 23 2.984 -8.447 -2.725 1.00 0.00 C ATOM 367 CE2 PHE A 23 1.599 -6.703 -1.882 1.00 0.00 C ATOM 368 CZ PHE A 23 1.739 -7.890 -2.560 1.00 0.00 C ATOM 0 H PHE A 23 5.481 -8.661 0.156 1.00 0.00 H new ATOM 0 HA PHE A 23 6.359 -5.943 0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.942 -4.903 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.987 -6.014 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.067 -8.266 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.600 -5.145 -0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.091 -9.378 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.621 -6.264 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.869 -8.386 -2.964 1.00 0.00 H new ATOM 378 N SER A 24 4.107 -5.598 2.034 1.00 0.00 N ATOM 379 CA SER A 24 2.970 -5.577 2.946 1.00 0.00 C ATOM 380 C SER A 24 2.027 -4.434 2.604 1.00 0.00 C ATOM 381 O SER A 24 2.467 -3.350 2.211 1.00 0.00 O ATOM 382 CB SER A 24 3.454 -5.439 4.393 1.00 0.00 C ATOM 383 OG SER A 24 4.108 -4.194 4.603 1.00 0.00 O ATOM 0 H SER A 24 4.624 -4.720 1.980 1.00 0.00 H new ATOM 0 HA SER A 24 2.429 -6.517 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.606 -5.526 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.137 -6.255 4.630 1.00 0.00 H new ATOM 0 HG SER A 24 5.073 -4.306 4.474 1.00 0.00 H new ATOM 389 N LEU A 25 0.737 -4.672 2.778 1.00 0.00 N ATOM 390 CA LEU A 25 -0.271 -3.663 2.501 1.00 0.00 C ATOM 391 C LEU A 25 -0.949 -3.264 3.807 1.00 0.00 C ATOM 392 O LEU A 25 -0.392 -3.482 4.881 1.00 0.00 O ATOM 393 CB LEU A 25 -1.322 -4.177 1.504 1.00 0.00 C ATOM 394 CG LEU A 25 -0.802 -5.063 0.368 1.00 0.00 C ATOM 395 CD1 LEU A 25 -0.716 -6.521 0.809 1.00 0.00 C ATOM 396 CD2 LEU A 25 -1.667 -4.912 -0.878 1.00 0.00 C ATOM 0 H LEU A 25 0.363 -5.560 3.112 1.00 0.00 H new ATOM 0 HA LEU A 25 0.219 -2.799 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.074 -4.738 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.826 -3.317 1.064 1.00 0.00 H new ATOM 0 HG LEU A 25 0.206 -4.733 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.344 -7.129 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.037 -6.605 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.706 -6.872 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.278 -5.551 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.692 -5.204 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.651 -3.873 -1.208 1.00 0.00 H new ATOM 408 N ASP A 26 -2.123 -2.666 3.719 1.00 0.00 N ATOM 409 CA ASP A 26 -2.900 -2.335 4.912 1.00 0.00 C ATOM 410 C ASP A 26 -3.741 -3.537 5.324 1.00 0.00 C ATOM 411 O ASP A 26 -4.008 -3.762 6.503 1.00 0.00 O ATOM 412 CB ASP A 26 -3.807 -1.133 4.638 1.00 0.00 C ATOM 413 CG ASP A 26 -4.430 -0.565 5.900 1.00 0.00 C ATOM 414 OD1 ASP A 26 -3.815 0.330 6.511 1.00 0.00 O ATOM 415 OD2 ASP A 26 -5.536 -1.005 6.283 1.00 0.00 O ATOM 0 H ASP A 26 -2.563 -2.398 2.839 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.216 -2.078 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.229 -0.354 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.598 -1.430 3.950 1.00 0.00 H new ATOM 420 N ASN A 27 -4.119 -4.326 4.325 1.00 0.00 N ATOM 421 CA ASN A 27 -4.988 -5.484 4.525 1.00 0.00 C ATOM 422 C ASN A 27 -4.220 -6.663 5.114 1.00 0.00 C ATOM 423 O ASN A 27 -4.793 -7.509 5.799 1.00 0.00 O ATOM 424 CB ASN A 27 -5.609 -5.915 3.187 1.00 0.00 C ATOM 425 CG ASN A 27 -4.564 -6.454 2.222 1.00 0.00 C ATOM 426 OD1 ASN A 27 -4.005 -5.576 1.403 1.00 0.00 O flip ATOM 427 ND2 ASN A 27 -4.265 -7.648 2.207 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.834 -4.183 3.356 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.770 -5.190 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.365 -6.680 3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.118 -5.065 2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.717 -8.295 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.565 -7.990 1.548 1.00 0.00 H new ATOM 434 N GLY A 28 -2.921 -6.713 4.844 1.00 0.00 N ATOM 435 CA GLY A 28 -2.140 -7.874 5.208 1.00 0.00 C ATOM 436 C GLY A 28 -0.685 -7.559 5.455 1.00 0.00 C ATOM 437 O GLY A 28 -0.200 -6.472 5.124 1.00 0.00 O ATOM 0 H GLY A 28 -2.398 -5.970 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.565 -8.323 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.214 -8.617 4.414 1.00 0.00 H new ATOM 441 N GLU A 29 0.006 -8.529 6.025 1.00 0.00 N ATOM 442 CA GLU A 29 1.402 -8.385 6.393 1.00 0.00 C ATOM 443 C GLU A 29 2.317 -8.581 5.184 1.00 0.00 C ATOM 444 O GLU A 29 1.867 -8.551 4.037 1.00 0.00 O ATOM 445 CB GLU A 29 1.746 -9.407 7.481 1.00 0.00 C ATOM 446 CG GLU A 29 0.885 -9.277 8.724 1.00 0.00 C ATOM 447 CD GLU A 29 0.930 -10.519 9.584 1.00 0.00 C ATOM 448 OE1 GLU A 29 0.098 -11.422 9.360 1.00 0.00 O ATOM 449 OE2 GLU A 29 1.796 -10.604 10.481 1.00 0.00 O ATOM 0 H GLU A 29 -0.388 -9.443 6.247 1.00 0.00 H new ATOM 0 HA GLU A 29 1.559 -7.375 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.634 -10.412 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.793 -9.291 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.221 -8.420 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.146 -9.078 8.430 1.00 0.00 H new ATOM 456 N LEU A 30 3.603 -8.760 5.459 1.00 0.00 N ATOM 457 CA LEU A 30 4.596 -9.026 4.432 1.00 0.00 C ATOM 458 C LEU A 30 4.275 -10.360 3.750 1.00 0.00 C ATOM 459 O LEU A 30 4.275 -11.413 4.391 1.00 0.00 O ATOM 460 CB LEU A 30 5.994 -9.033 5.108 1.00 0.00 C ATOM 461 CG LEU A 30 7.264 -9.146 4.228 1.00 0.00 C ATOM 462 CD1 LEU A 30 8.489 -9.406 5.082 1.00 0.00 C ATOM 463 CD2 LEU A 30 7.161 -10.208 3.163 1.00 0.00 C ATOM 0 H LEU A 30 3.985 -8.724 6.404 1.00 0.00 H new ATOM 0 HA LEU A 30 4.588 -8.258 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.080 -8.116 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.011 -9.862 5.815 1.00 0.00 H new ATOM 0 HG LEU A 30 7.360 -8.186 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.369 -9.482 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.622 -8.585 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.358 -10.338 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.084 -10.233 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.000 -11.179 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.324 -9.981 2.502 1.00 0.00 H new ATOM 475 N ARG A 31 3.963 -10.295 2.462 1.00 0.00 N ATOM 476 CA ARG A 31 3.817 -11.491 1.644 1.00 0.00 C ATOM 477 C ARG A 31 4.993 -11.576 0.683 1.00 0.00 C ATOM 478 O ARG A 31 5.278 -10.613 -0.026 1.00 0.00 O ATOM 479 CB ARG A 31 2.523 -11.466 0.832 1.00 0.00 C ATOM 480 CG ARG A 31 1.270 -11.149 1.629 1.00 0.00 C ATOM 481 CD ARG A 31 0.029 -11.435 0.802 1.00 0.00 C ATOM 482 NE ARG A 31 -1.192 -10.915 1.412 1.00 0.00 N ATOM 483 CZ ARG A 31 -2.393 -11.453 1.211 1.00 0.00 C ATOM 484 NH1 ARG A 31 -2.490 -12.616 0.576 1.00 0.00 N ATOM 485 NH2 ARG A 31 -3.485 -10.864 1.688 1.00 0.00 N ATOM 0 H ARG A 31 3.806 -9.421 1.960 1.00 0.00 H new ATOM 0 HA ARG A 31 3.788 -12.355 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.625 -10.728 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.394 -12.436 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.252 -11.745 2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.279 -10.102 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.150 -10.997 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.070 -12.512 0.664 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.121 -10.100 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.648 -13.089 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.406 -13.036 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.407 -9.993 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.401 -11.283 1.529 1.00 0.00 H new ATOM 499 N SER A 32 5.668 -12.715 0.657 1.00 0.00 N ATOM 500 CA SER A 32 6.869 -12.868 -0.158 1.00 0.00 C ATOM 501 C SER A 32 6.512 -12.989 -1.638 1.00 0.00 C ATOM 502 O SER A 32 5.590 -13.716 -2.002 1.00 0.00 O ATOM 503 CB SER A 32 7.669 -14.081 0.311 1.00 0.00 C ATOM 504 OG SER A 32 7.836 -14.055 1.718 1.00 0.00 O ATOM 0 H SER A 32 5.408 -13.546 1.188 1.00 0.00 H new ATOM 0 HA SER A 32 7.486 -11.977 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.157 -14.997 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.644 -14.091 -0.176 1.00 0.00 H new ATOM 0 HG SER A 32 8.349 -14.840 2.001 1.00 0.00 H new ATOM 510 N TYR A 33 7.282 -12.291 -2.477 1.00 0.00 N ATOM 511 CA TYR A 33 6.940 -12.080 -3.892 1.00 0.00 C ATOM 512 C TYR A 33 6.650 -13.382 -4.647 1.00 0.00 C ATOM 513 O TYR A 33 5.906 -13.376 -5.627 1.00 0.00 O ATOM 514 CB TYR A 33 8.067 -11.333 -4.622 1.00 0.00 C ATOM 515 CG TYR A 33 8.460 -9.999 -4.010 1.00 0.00 C ATOM 516 CD1 TYR A 33 7.549 -8.949 -3.899 1.00 0.00 C ATOM 517 CD2 TYR A 33 9.755 -9.793 -3.547 1.00 0.00 C ATOM 518 CE1 TYR A 33 7.921 -7.738 -3.344 1.00 0.00 C ATOM 519 CE2 TYR A 33 10.133 -8.585 -2.990 1.00 0.00 C ATOM 520 CZ TYR A 33 9.214 -7.564 -2.892 1.00 0.00 C ATOM 521 OH TYR A 33 9.586 -6.365 -2.336 1.00 0.00 O ATOM 0 H TYR A 33 8.161 -11.855 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 33 6.027 -11.484 -3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.947 -11.975 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.761 -11.165 -5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.537 -9.084 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.479 -10.591 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.205 -6.934 -3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.143 -8.443 -2.634 1.00 0.00 H new ATOM 0 HH TYR A 33 10.265 -6.521 -1.647 1.00 0.00 H new ATOM 531 N GLN A 34 7.246 -14.488 -4.208 1.00 0.00 N ATOM 532 CA GLN A 34 7.074 -15.771 -4.891 1.00 0.00 C ATOM 533 C GLN A 34 5.679 -16.356 -4.678 1.00 0.00 C ATOM 534 O GLN A 34 5.174 -17.087 -5.530 1.00 0.00 O ATOM 535 CB GLN A 34 8.118 -16.776 -4.417 1.00 0.00 C ATOM 536 CG GLN A 34 9.540 -16.396 -4.793 1.00 0.00 C ATOM 537 CD GLN A 34 10.545 -17.483 -4.477 1.00 0.00 C ATOM 538 OE1 GLN A 34 10.360 -18.271 -3.548 1.00 0.00 O ATOM 539 NE2 GLN A 34 11.622 -17.527 -5.239 1.00 0.00 N ATOM 0 H GLN A 34 7.850 -14.524 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 34 7.203 -15.579 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.051 -16.874 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.888 -17.754 -4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.580 -16.170 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.819 -15.485 -4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.737 -16.856 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.339 -18.232 -5.068 1.00 0.00 H new ATOM 548 N ASP A 35 5.077 -16.060 -3.535 1.00 0.00 N ATOM 549 CA ASP A 35 3.735 -16.559 -3.219 1.00 0.00 C ATOM 550 C ASP A 35 2.716 -16.115 -4.273 1.00 0.00 C ATOM 551 O ASP A 35 2.606 -14.930 -4.590 1.00 0.00 O ATOM 552 CB ASP A 35 3.303 -16.097 -1.824 1.00 0.00 C ATOM 553 CG ASP A 35 1.802 -16.170 -1.611 1.00 0.00 C ATOM 554 OD1 ASP A 35 1.294 -17.243 -1.231 1.00 0.00 O ATOM 555 OD2 ASP A 35 1.123 -15.140 -1.820 1.00 0.00 O ATOM 0 H ASP A 35 5.492 -15.477 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 35 3.772 -17.648 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.801 -16.712 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.637 -15.071 -1.668 1.00 0.00 H new ATOM 560 N PRO A 36 1.956 -17.075 -4.834 1.00 0.00 N ATOM 561 CA PRO A 36 1.027 -16.815 -5.938 1.00 0.00 C ATOM 562 C PRO A 36 -0.211 -16.010 -5.535 1.00 0.00 C ATOM 563 O PRO A 36 -1.015 -15.644 -6.390 1.00 0.00 O ATOM 564 CB PRO A 36 0.606 -18.218 -6.408 1.00 0.00 C ATOM 565 CG PRO A 36 1.518 -19.175 -5.715 1.00 0.00 C ATOM 566 CD PRO A 36 1.952 -18.496 -4.452 1.00 0.00 C ATOM 0 HA PRO A 36 1.510 -16.208 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.435 -18.418 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.694 -18.310 -7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.006 -20.113 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.376 -19.418 -6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.264 -18.692 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.938 -18.832 -4.130 1.00 0.00 H new ATOM 574 N SER A 37 -0.372 -15.724 -4.249 1.00 0.00 N ATOM 575 CA SER A 37 -1.542 -14.993 -3.796 1.00 0.00 C ATOM 576 C SER A 37 -1.257 -13.494 -3.820 1.00 0.00 C ATOM 577 O SER A 37 -2.137 -12.690 -4.135 1.00 0.00 O ATOM 578 CB SER A 37 -1.963 -15.455 -2.396 1.00 0.00 C ATOM 579 OG SER A 37 -3.266 -14.994 -2.071 1.00 0.00 O ATOM 0 H SER A 37 0.284 -15.984 -3.513 1.00 0.00 H new ATOM 0 HA SER A 37 -2.372 -15.198 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.937 -16.544 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.250 -15.086 -1.659 1.00 0.00 H new ATOM 0 HG SER A 37 -3.509 -15.305 -1.174 1.00 0.00 H new ATOM 585 N ASN A 38 -0.020 -13.117 -3.508 1.00 0.00 N ATOM 586 CA ASN A 38 0.373 -11.714 -3.578 1.00 0.00 C ATOM 587 C ASN A 38 0.826 -11.359 -4.977 1.00 0.00 C ATOM 588 O ASN A 38 0.872 -10.185 -5.350 1.00 0.00 O ATOM 589 CB ASN A 38 1.465 -11.367 -2.572 1.00 0.00 C ATOM 590 CG ASN A 38 2.799 -12.011 -2.858 1.00 0.00 C ATOM 591 OD1 ASN A 38 3.614 -11.485 -3.612 1.00 0.00 O ATOM 592 ND2 ASN A 38 3.035 -13.142 -2.238 1.00 0.00 N ATOM 0 H ASN A 38 0.718 -13.754 -3.208 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.507 -11.125 -3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.594 -10.285 -2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.135 -11.667 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.925 -13.621 -2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.329 -13.542 -1.621 1.00 0.00 H new ATOM 599 N ALA A 39 1.153 -12.384 -5.744 1.00 0.00 N ATOM 600 CA ALA A 39 1.434 -12.223 -7.168 1.00 0.00 C ATOM 601 C ALA A 39 0.308 -11.446 -7.854 1.00 0.00 C ATOM 602 O ALA A 39 0.543 -10.692 -8.800 1.00 0.00 O ATOM 603 CB ALA A 39 1.617 -13.579 -7.829 1.00 0.00 C ATOM 0 H ALA A 39 1.232 -13.343 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 39 2.359 -11.656 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.826 -13.441 -8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.450 -14.103 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.707 -14.167 -7.712 1.00 0.00 H new ATOM 609 N GLN A 40 -0.912 -11.642 -7.352 1.00 0.00 N ATOM 610 CA GLN A 40 -2.078 -10.889 -7.799 1.00 0.00 C ATOM 611 C GLN A 40 -1.814 -9.386 -7.718 1.00 0.00 C ATOM 612 O GLN A 40 -1.979 -8.661 -8.701 1.00 0.00 O ATOM 613 CB GLN A 40 -3.283 -11.245 -6.929 1.00 0.00 C ATOM 614 CG GLN A 40 -4.484 -10.348 -7.159 1.00 0.00 C ATOM 615 CD GLN A 40 -5.097 -9.880 -5.858 1.00 0.00 C ATOM 616 OE1 GLN A 40 -5.990 -10.525 -5.314 1.00 0.00 O ATOM 617 NE2 GLN A 40 -4.612 -8.755 -5.345 1.00 0.00 N ATOM 0 H GLN A 40 -1.116 -12.327 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.284 -11.151 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.569 -12.278 -7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.993 -11.188 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.183 -9.483 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.233 -10.886 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.870 -8.251 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.982 -8.395 -4.465 1.00 0.00 H new ATOM 626 N PHE A 41 -1.405 -8.931 -6.531 1.00 0.00 N ATOM 627 CA PHE A 41 -1.091 -7.524 -6.304 1.00 0.00 C ATOM 628 C PHE A 41 -0.031 -7.078 -7.285 1.00 0.00 C ATOM 629 O PHE A 41 -0.255 -6.173 -8.079 1.00 0.00 O ATOM 630 CB PHE A 41 -0.553 -7.297 -4.892 1.00 0.00 C ATOM 631 CG PHE A 41 -1.433 -7.788 -3.792 1.00 0.00 C ATOM 632 CD1 PHE A 41 -2.522 -7.060 -3.366 1.00 0.00 C ATOM 633 CD2 PHE A 41 -1.143 -8.980 -3.172 1.00 0.00 C ATOM 634 CE1 PHE A 41 -3.309 -7.522 -2.332 1.00 0.00 C ATOM 635 CE2 PHE A 41 -1.924 -9.454 -2.139 1.00 0.00 C ATOM 636 CZ PHE A 41 -3.011 -8.723 -1.718 1.00 0.00 C ATOM 0 H PHE A 41 -1.284 -9.523 -5.710 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.010 -6.953 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.417 -7.787 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.384 -6.229 -4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.761 -6.122 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.289 -9.555 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.159 -6.944 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.684 -10.393 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.629 -9.087 -0.910 1.00 0.00 H new ATOM 646 N LEU A 42 1.105 -7.762 -7.225 1.00 0.00 N ATOM 647 CA LEU A 42 2.272 -7.455 -8.043 1.00 0.00 C ATOM 648 C LEU A 42 1.896 -7.079 -9.466 1.00 0.00 C ATOM 649 O LEU A 42 2.079 -5.939 -9.892 1.00 0.00 O ATOM 650 CB LEU A 42 3.198 -8.667 -8.081 1.00 0.00 C ATOM 651 CG LEU A 42 4.317 -8.668 -7.052 1.00 0.00 C ATOM 652 CD1 LEU A 42 3.771 -8.950 -5.675 1.00 0.00 C ATOM 653 CD2 LEU A 42 5.393 -9.678 -7.416 1.00 0.00 C ATOM 0 H LEU A 42 1.243 -8.555 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 42 2.771 -6.598 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.598 -9.566 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.642 -8.733 -9.075 1.00 0.00 H new ATOM 0 HG LEU A 42 4.771 -7.677 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.587 -8.947 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.046 -8.182 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.285 -9.926 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.181 -9.658 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.956 -10.676 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.814 -9.426 -8.389 1.00 0.00 H new ATOM 665 N GLU A 43 1.354 -8.047 -10.181 1.00 0.00 N ATOM 666 CA GLU A 43 1.018 -7.877 -11.587 1.00 0.00 C ATOM 667 C GLU A 43 -0.040 -6.797 -11.797 1.00 0.00 C ATOM 668 O GLU A 43 0.156 -5.895 -12.607 1.00 0.00 O ATOM 669 CB GLU A 43 0.558 -9.201 -12.189 1.00 0.00 C ATOM 670 CG GLU A 43 1.660 -10.248 -12.246 1.00 0.00 C ATOM 671 CD GLU A 43 2.817 -9.840 -13.139 1.00 0.00 C ATOM 672 OE1 GLU A 43 2.665 -9.886 -14.379 1.00 0.00 O ATOM 673 OE2 GLU A 43 3.889 -9.482 -12.612 1.00 0.00 O ATOM 0 H GLU A 43 1.134 -8.970 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 43 1.922 -7.549 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.274 -9.590 -11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.182 -9.023 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.033 -10.431 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.243 -11.188 -12.607 1.00 0.00 H new ATOM 680 N SER A 44 -1.142 -6.860 -11.060 1.00 0.00 N ATOM 681 CA SER A 44 -2.213 -5.895 -11.246 1.00 0.00 C ATOM 682 C SER A 44 -1.734 -4.476 -10.948 1.00 0.00 C ATOM 683 O SER A 44 -2.089 -3.536 -11.657 1.00 0.00 O ATOM 684 CB SER A 44 -3.411 -6.259 -10.372 1.00 0.00 C ATOM 685 OG SER A 44 -3.917 -7.531 -10.739 1.00 0.00 O ATOM 0 H SER A 44 -1.315 -7.560 -10.338 1.00 0.00 H new ATOM 0 HA SER A 44 -2.523 -5.926 -12.290 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.116 -6.266 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.191 -5.505 -10.479 1.00 0.00 H new ATOM 0 HG SER A 44 -3.441 -8.228 -10.242 1.00 0.00 H new ATOM 691 N ILE A 45 -0.885 -4.333 -9.938 1.00 0.00 N ATOM 692 CA ILE A 45 -0.411 -3.014 -9.532 1.00 0.00 C ATOM 693 C ILE A 45 0.527 -2.423 -10.587 1.00 0.00 C ATOM 694 O ILE A 45 0.451 -1.232 -10.900 1.00 0.00 O ATOM 695 CB ILE A 45 0.291 -3.059 -8.149 1.00 0.00 C ATOM 696 CG1 ILE A 45 -0.708 -3.454 -7.055 1.00 0.00 C ATOM 697 CG2 ILE A 45 0.923 -1.719 -7.806 1.00 0.00 C ATOM 698 CD1 ILE A 45 -0.102 -3.508 -5.667 1.00 0.00 C ATOM 0 H ILE A 45 -0.512 -5.107 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.285 -2.369 -9.442 1.00 0.00 H new ATOM 0 HB ILE A 45 1.081 -3.808 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.533 -2.741 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.130 -4.430 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.407 -1.784 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.664 -1.462 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.152 -0.949 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.868 -3.794 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.704 -4.242 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.295 -2.527 -5.405 1.00 0.00 H new ATOM 710 N ARG A 46 1.389 -3.257 -11.162 1.00 0.00 N ATOM 711 CA ARG A 46 2.305 -2.791 -12.200 1.00 0.00 C ATOM 712 C ARG A 46 1.568 -2.549 -13.518 1.00 0.00 C ATOM 713 O ARG A 46 1.960 -1.683 -14.297 1.00 0.00 O ATOM 714 CB ARG A 46 3.475 -3.770 -12.396 1.00 0.00 C ATOM 715 CG ARG A 46 3.054 -5.210 -12.646 1.00 0.00 C ATOM 716 CD ARG A 46 4.248 -6.153 -12.693 1.00 0.00 C ATOM 717 NE ARG A 46 5.178 -5.914 -11.588 1.00 0.00 N ATOM 718 CZ ARG A 46 5.917 -6.857 -11.007 1.00 0.00 C ATOM 719 NH1 ARG A 46 5.762 -8.135 -11.325 1.00 0.00 N ATOM 720 NH2 ARG A 46 6.793 -6.516 -10.077 1.00 0.00 N ATOM 0 H ARG A 46 1.473 -4.247 -10.931 1.00 0.00 H new ATOM 0 HA ARG A 46 2.721 -1.840 -11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.080 -3.430 -13.236 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.111 -3.739 -11.512 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.370 -5.530 -11.860 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.507 -5.270 -13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.897 -7.184 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.771 -6.029 -13.641 1.00 0.00 H new ATOM 0 HE ARG A 46 5.266 -4.960 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.070 -8.407 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.335 -8.847 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.898 -5.537 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.363 -7.232 -9.627 1.00 0.00 H new ATOM 734 N ARG A 47 0.492 -3.298 -13.761 1.00 0.00 N ATOM 735 CA ARG A 47 -0.332 -3.071 -14.949 1.00 0.00 C ATOM 736 C ARG A 47 -1.107 -1.765 -14.833 1.00 0.00 C ATOM 737 O ARG A 47 -1.269 -1.032 -15.809 1.00 0.00 O ATOM 738 CB ARG A 47 -1.322 -4.217 -15.179 1.00 0.00 C ATOM 739 CG ARG A 47 -0.682 -5.581 -15.377 1.00 0.00 C ATOM 740 CD ARG A 47 0.470 -5.535 -16.363 1.00 0.00 C ATOM 741 NE ARG A 47 0.090 -4.956 -17.649 1.00 0.00 N ATOM 742 CZ ARG A 47 0.964 -4.663 -18.609 1.00 0.00 C ATOM 743 NH1 ARG A 47 2.245 -4.979 -18.461 1.00 0.00 N ATOM 744 NH2 ARG A 47 0.559 -4.080 -19.727 1.00 0.00 N ATOM 0 H ARG A 47 0.173 -4.058 -13.160 1.00 0.00 H new ATOM 0 HA ARG A 47 0.349 -3.018 -15.798 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.000 -4.269 -14.327 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.928 -3.985 -16.055 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.323 -5.955 -14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.434 -6.285 -15.732 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.286 -4.953 -15.935 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.847 -6.545 -16.522 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.897 -4.766 -17.820 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.560 -5.447 -17.611 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.914 -4.754 -19.197 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.427 -3.853 -19.856 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.233 -3.858 -20.459 1.00 0.00 H new ATOM 758 N GLY A 48 -1.583 -1.478 -13.632 1.00 0.00 N ATOM 759 CA GLY A 48 -2.389 -0.294 -13.414 1.00 0.00 C ATOM 760 C GLY A 48 -3.792 -0.648 -12.972 1.00 0.00 C ATOM 761 O GLY A 48 -4.673 0.211 -12.899 1.00 0.00 O ATOM 0 H GLY A 48 -1.425 -2.046 -12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.917 0.334 -12.659 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.433 0.291 -14.333 1.00 0.00 H new ATOM 765 N GLU A 49 -3.991 -1.924 -12.673 1.00 0.00 N ATOM 766 CA GLU A 49 -5.268 -2.423 -12.199 1.00 0.00 C ATOM 767 C GLU A 49 -5.360 -2.265 -10.690 1.00 0.00 C ATOM 768 O GLU A 49 -4.435 -1.766 -10.049 1.00 0.00 O ATOM 769 CB GLU A 49 -5.432 -3.894 -12.571 1.00 0.00 C ATOM 770 CG GLU A 49 -5.499 -4.146 -14.066 1.00 0.00 C ATOM 771 CD GLU A 49 -5.575 -5.620 -14.394 1.00 0.00 C ATOM 772 OE1 GLU A 49 -6.612 -6.248 -14.091 1.00 0.00 O ATOM 773 OE2 GLU A 49 -4.591 -6.163 -14.936 1.00 0.00 O ATOM 0 H GLU A 49 -3.269 -2.640 -12.753 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.064 -1.847 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.598 -4.459 -12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.341 -4.277 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.370 -3.638 -14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.621 -3.714 -14.545 1.00 0.00 H new ATOM 780 N VAL A 50 -6.472 -2.700 -10.127 1.00 0.00 N ATOM 781 CA VAL A 50 -6.715 -2.547 -8.704 1.00 0.00 C ATOM 782 C VAL A 50 -6.768 -3.899 -8.004 1.00 0.00 C ATOM 783 O VAL A 50 -7.481 -4.802 -8.442 1.00 0.00 O ATOM 784 CB VAL A 50 -8.040 -1.804 -8.445 1.00 0.00 C ATOM 785 CG1 VAL A 50 -8.353 -1.781 -6.960 1.00 0.00 C ATOM 786 CG2 VAL A 50 -7.987 -0.393 -9.013 1.00 0.00 C ATOM 0 H VAL A 50 -7.224 -3.164 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.886 -1.965 -8.302 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.841 -2.340 -8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.292 -1.253 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.442 -2.803 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.551 -1.271 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.933 0.113 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.176 0.160 -8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.815 -0.440 -10.088 1.00 0.00 H new ATOM 796 N PRO A 51 -6.017 -4.057 -6.903 1.00 0.00 N ATOM 797 CA PRO A 51 -6.082 -5.259 -6.071 1.00 0.00 C ATOM 798 C PRO A 51 -7.377 -5.304 -5.256 1.00 0.00 C ATOM 799 O PRO A 51 -7.755 -4.318 -4.613 1.00 0.00 O ATOM 800 CB PRO A 51 -4.858 -5.130 -5.148 1.00 0.00 C ATOM 801 CG PRO A 51 -4.059 -4.001 -5.696 1.00 0.00 C ATOM 802 CD PRO A 51 -5.038 -3.094 -6.377 1.00 0.00 C ATOM 0 HA PRO A 51 -6.076 -6.176 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.162 -4.932 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.277 -6.052 -5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.529 -3.476 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.306 -4.360 -6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.492 -2.386 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.572 -2.509 -7.170 1.00 0.00 H new ATOM 810 N ALA A 52 -8.038 -6.462 -5.279 1.00 0.00 N ATOM 811 CA ALA A 52 -9.360 -6.631 -4.681 1.00 0.00 C ATOM 812 C ALA A 52 -9.334 -6.371 -3.187 1.00 0.00 C ATOM 813 O ALA A 52 -10.323 -5.935 -2.608 1.00 0.00 O ATOM 814 CB ALA A 52 -9.881 -8.032 -4.962 1.00 0.00 C ATOM 0 H ALA A 52 -7.671 -7.309 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.029 -5.899 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.867 -8.150 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.952 -8.185 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.198 -8.767 -4.536 1.00 0.00 H new ATOM 820 N GLU A 53 -8.196 -6.648 -2.574 1.00 0.00 N ATOM 821 CA GLU A 53 -7.992 -6.407 -1.154 1.00 0.00 C ATOM 822 C GLU A 53 -8.279 -4.952 -0.811 1.00 0.00 C ATOM 823 O GLU A 53 -8.948 -4.651 0.178 1.00 0.00 O ATOM 824 CB GLU A 53 -6.546 -6.731 -0.768 1.00 0.00 C ATOM 825 CG GLU A 53 -6.168 -8.207 -0.844 1.00 0.00 C ATOM 826 CD GLU A 53 -6.387 -8.823 -2.211 1.00 0.00 C ATOM 827 OE1 GLU A 53 -6.120 -8.140 -3.226 1.00 0.00 O ATOM 828 OE2 GLU A 53 -6.835 -9.986 -2.273 1.00 0.00 O ATOM 0 H GLU A 53 -7.385 -7.047 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.676 -7.050 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.878 -6.167 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.371 -6.380 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.119 -8.319 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.751 -8.761 -0.108 1.00 0.00 H new ATOM 835 N LEU A 54 -7.773 -4.057 -1.649 1.00 0.00 N ATOM 836 CA LEU A 54 -7.874 -2.630 -1.401 1.00 0.00 C ATOM 837 C LEU A 54 -9.194 -2.112 -1.944 1.00 0.00 C ATOM 838 O LEU A 54 -9.802 -1.201 -1.386 1.00 0.00 O ATOM 839 CB LEU A 54 -6.711 -1.895 -2.065 1.00 0.00 C ATOM 840 CG LEU A 54 -5.411 -2.675 -2.149 1.00 0.00 C ATOM 841 CD1 LEU A 54 -4.386 -1.873 -2.924 1.00 0.00 C ATOM 842 CD2 LEU A 54 -4.897 -2.999 -0.756 1.00 0.00 C ATOM 0 H LEU A 54 -7.286 -4.299 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.831 -2.451 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.011 -1.612 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.526 -0.972 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.591 -3.615 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.454 -2.435 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.759 -1.682 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.207 -0.925 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.965 -3.558 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.720 -2.073 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.637 -3.598 -0.226 1.00 0.00 H new ATOM 854 N ARG A 55 -9.628 -2.699 -3.049 1.00 0.00 N ATOM 855 CA ARG A 55 -10.918 -2.359 -3.638 1.00 0.00 C ATOM 856 C ARG A 55 -12.037 -2.686 -2.659 1.00 0.00 C ATOM 857 O ARG A 55 -12.985 -1.918 -2.500 1.00 0.00 O ATOM 858 CB ARG A 55 -11.123 -3.125 -4.943 1.00 0.00 C ATOM 859 CG ARG A 55 -12.338 -2.672 -5.739 1.00 0.00 C ATOM 860 CD ARG A 55 -12.155 -1.272 -6.299 1.00 0.00 C ATOM 861 NE ARG A 55 -13.296 -0.870 -7.122 1.00 0.00 N ATOM 862 CZ ARG A 55 -13.325 0.213 -7.903 1.00 0.00 C ATOM 863 NH1 ARG A 55 -12.283 1.031 -7.960 1.00 0.00 N ATOM 864 NH2 ARG A 55 -14.414 0.479 -8.613 1.00 0.00 N ATOM 0 H ARG A 55 -9.107 -3.414 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.935 -1.291 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.233 -3.013 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.224 -4.187 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.518 -3.370 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.221 -2.695 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.029 -0.565 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.243 -1.234 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.129 -1.459 -7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.450 0.835 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.314 1.856 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.222 -0.142 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.444 1.304 -9.212 1.00 0.00 H new ATOM 878 N ARG A 56 -11.902 -3.830 -1.998 1.00 0.00 N ATOM 879 CA ARG A 56 -12.834 -4.257 -0.970 1.00 0.00 C ATOM 880 C ARG A 56 -12.444 -3.652 0.384 1.00 0.00 C ATOM 881 O ARG A 56 -12.919 -4.077 1.434 1.00 0.00 O ATOM 882 CB ARG A 56 -12.854 -5.789 -0.897 1.00 0.00 C ATOM 883 CG ARG A 56 -13.960 -6.374 -0.031 1.00 0.00 C ATOM 884 CD ARG A 56 -15.341 -6.116 -0.617 1.00 0.00 C ATOM 885 NE ARG A 56 -15.807 -4.745 -0.395 1.00 0.00 N ATOM 886 CZ ARG A 56 -16.747 -4.149 -1.132 1.00 0.00 C ATOM 887 NH1 ARG A 56 -17.269 -4.769 -2.186 1.00 0.00 N ATOM 888 NH2 ARG A 56 -17.150 -2.923 -0.820 1.00 0.00 N ATOM 0 H ARG A 56 -11.139 -4.487 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.835 -3.906 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.955 -6.185 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.893 -6.133 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.807 -7.448 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.904 -5.943 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.319 -6.318 -1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.054 -6.813 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.388 -4.214 0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.952 -5.706 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.987 -4.308 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.742 -2.440 -0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.868 -2.464 -1.381 1.00 0.00 H new ATOM 902 N LEU A 57 -11.548 -2.676 0.350 1.00 0.00 N ATOM 903 CA LEU A 57 -11.212 -1.894 1.534 1.00 0.00 C ATOM 904 C LEU A 57 -11.836 -0.518 1.367 1.00 0.00 C ATOM 905 O LEU A 57 -12.279 0.112 2.322 1.00 0.00 O ATOM 906 CB LEU A 57 -9.697 -1.805 1.716 1.00 0.00 C ATOM 907 CG LEU A 57 -9.226 -1.092 2.982 1.00 0.00 C ATOM 908 CD1 LEU A 57 -9.987 -1.585 4.204 1.00 0.00 C ATOM 909 CD2 LEU A 57 -7.740 -1.315 3.171 1.00 0.00 C ATOM 0 H LEU A 57 -11.037 -2.405 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.604 -2.372 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.289 -2.816 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.275 -1.291 0.852 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.422 -0.026 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.631 -1.060 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.052 -1.393 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.824 -2.656 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.408 -0.805 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.541 -2.383 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.200 -0.918 2.311 1.00 0.00 H new ATOM 921 N ALA A 58 -11.862 -0.075 0.121 1.00 0.00 N ATOM 922 CA ALA A 58 -12.704 1.033 -0.290 1.00 0.00 C ATOM 923 C ALA A 58 -14.118 0.514 -0.481 1.00 0.00 C ATOM 924 O ALA A 58 -14.371 -0.684 -0.380 1.00 0.00 O ATOM 925 CB ALA A 58 -12.182 1.648 -1.586 1.00 0.00 C ATOM 0 H ALA A 58 -11.301 -0.473 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.694 1.810 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.825 2.478 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.166 2.013 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.181 0.893 -2.372 1.00 0.00 H new ATOM 931 N HIS A 59 -15.037 1.417 -0.747 1.00 0.00 N ATOM 932 CA HIS A 59 -16.435 1.044 -1.006 1.00 0.00 C ATOM 933 C HIS A 59 -16.593 0.444 -2.403 1.00 0.00 C ATOM 934 O HIS A 59 -17.701 0.357 -2.926 1.00 0.00 O ATOM 935 CB HIS A 59 -17.360 2.267 -0.880 1.00 0.00 C ATOM 936 CG HIS A 59 -17.249 3.252 -2.018 1.00 0.00 C ATOM 937 ND1 HIS A 59 -16.374 4.261 -2.239 1.00 0.00 N flip ATOM 938 CD2 HIS A 59 -18.116 3.267 -3.093 1.00 0.00 C flip ATOM 939 CE1 HIS A 59 -16.724 4.855 -3.421 1.00 0.00 C flip ATOM 940 NE2 HIS A 59 -17.777 4.238 -3.917 1.00 0.00 N flip ATOM 0 H HIS A 59 -14.853 2.419 -0.792 1.00 0.00 H new ATOM 0 HA HIS A 59 -16.715 0.299 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -18.392 1.922 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.136 2.782 0.054 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -15.597 4.529 -1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -18.944 2.588 -3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -16.218 5.695 -3.874 1.00 0.00 H new ATOM 949 N GLY A 60 -15.493 0.009 -2.988 1.00 0.00 N ATOM 950 CA GLY A 60 -15.489 -0.283 -4.400 1.00 0.00 C ATOM 951 C GLY A 60 -15.415 0.998 -5.199 1.00 0.00 C ATOM 952 O GLY A 60 -16.116 1.171 -6.193 1.00 0.00 O ATOM 0 H GLY A 60 -14.605 -0.147 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.640 -0.922 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.390 -0.835 -4.667 1.00 0.00 H new ATOM 956 N GLY A 61 -14.575 1.913 -4.729 1.00 0.00 N ATOM 957 CA GLY A 61 -14.406 3.187 -5.394 1.00 0.00 C ATOM 958 C GLY A 61 -12.971 3.650 -5.355 1.00 0.00 C ATOM 959 O GLY A 61 -12.080 2.913 -5.766 1.00 0.00 O ATOM 0 H GLY A 61 -14.005 1.791 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.733 3.103 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.042 3.933 -4.918 1.00 0.00 H new ATOM 963 N GLN A 62 -12.746 4.862 -4.856 1.00 0.00 N ATOM 964 CA GLN A 62 -11.409 5.409 -4.720 1.00 0.00 C ATOM 965 C GLN A 62 -10.505 4.450 -3.959 1.00 0.00 C ATOM 966 O GLN A 62 -10.660 4.243 -2.754 1.00 0.00 O ATOM 967 CB GLN A 62 -11.486 6.743 -3.997 1.00 0.00 C ATOM 968 CG GLN A 62 -10.147 7.451 -3.849 1.00 0.00 C ATOM 969 CD GLN A 62 -10.243 8.728 -3.034 1.00 0.00 C ATOM 970 OE1 GLN A 62 -11.370 9.416 -3.130 1.00 0.00 O flip ATOM 971 NE2 GLN A 62 -9.305 9.097 -2.324 1.00 0.00 N flip ATOM 0 H GLN A 62 -13.486 5.487 -4.537 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.983 5.554 -5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.172 7.396 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.911 6.582 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.435 6.776 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.754 7.686 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.452 8.540 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.382 9.959 -1.785 1.00 0.00 H new ATOM 980 N VAL A 63 -9.582 3.852 -4.679 1.00 0.00 N ATOM 981 CA VAL A 63 -8.655 2.905 -4.103 1.00 0.00 C ATOM 982 C VAL A 63 -7.254 3.141 -4.667 1.00 0.00 C ATOM 983 O VAL A 63 -6.964 2.799 -5.815 1.00 0.00 O ATOM 984 CB VAL A 63 -9.111 1.450 -4.373 1.00 0.00 C ATOM 985 CG1 VAL A 63 -9.480 1.252 -5.836 1.00 0.00 C ATOM 986 CG2 VAL A 63 -8.035 0.465 -3.961 1.00 0.00 C ATOM 0 H VAL A 63 -9.453 4.008 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.633 3.054 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.001 1.264 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.796 0.221 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.295 1.926 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.614 1.467 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.376 -0.551 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.126 0.660 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.828 0.577 -2.897 1.00 0.00 H new ATOM 996 N ASN A 64 -6.389 3.753 -3.877 1.00 0.00 N ATOM 997 CA ASN A 64 -5.045 4.034 -4.333 1.00 0.00 C ATOM 998 C ASN A 64 -4.023 3.674 -3.270 1.00 0.00 C ATOM 999 O ASN A 64 -4.355 3.572 -2.089 1.00 0.00 O ATOM 1000 CB ASN A 64 -4.923 5.503 -4.684 1.00 0.00 C ATOM 1001 CG ASN A 64 -3.743 5.771 -5.597 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -3.422 4.807 -6.458 1.00 0.00 O flip ATOM 1003 ND2 ASN A 64 -3.122 6.829 -5.533 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.593 4.061 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.848 3.427 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.840 5.838 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.814 6.087 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.399 7.543 -4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.329 6.993 -6.153 1.00 0.00 H new ATOM 1010 N LEU A 65 -2.780 3.496 -3.691 1.00 0.00 N ATOM 1011 CA LEU A 65 -1.728 3.072 -2.793 1.00 0.00 C ATOM 1012 C LEU A 65 -0.457 3.880 -3.003 1.00 0.00 C ATOM 1013 O LEU A 65 -0.303 4.580 -4.007 1.00 0.00 O ATOM 1014 CB LEU A 65 -1.426 1.594 -3.018 1.00 0.00 C ATOM 1015 CG LEU A 65 -0.460 1.283 -4.149 1.00 0.00 C ATOM 1016 CD1 LEU A 65 0.205 -0.059 -3.906 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -1.200 1.262 -5.467 1.00 0.00 C ATOM 0 H LEU A 65 -2.479 3.641 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.073 3.235 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.021 1.180 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.365 1.076 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 65 0.307 2.057 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.896 -0.275 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.753 -0.028 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.555 -0.839 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.501 1.038 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.976 0.497 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.657 2.236 -5.643 1.00 0.00 H new ATOM 1029 N ASP A 66 0.440 3.771 -2.040 1.00 0.00 N ATOM 1030 CA ASP A 66 1.781 4.319 -2.156 1.00 0.00 C ATOM 1031 C ASP A 66 2.779 3.219 -1.850 1.00 0.00 C ATOM 1032 O ASP A 66 2.547 2.408 -0.954 1.00 0.00 O ATOM 1033 CB ASP A 66 2.005 5.491 -1.189 1.00 0.00 C ATOM 1034 CG ASP A 66 1.308 6.768 -1.610 1.00 0.00 C ATOM 1035 OD1 ASP A 66 0.113 6.934 -1.286 1.00 0.00 O ATOM 1036 OD2 ASP A 66 1.963 7.630 -2.239 1.00 0.00 O ATOM 0 H ASP A 66 0.260 3.299 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 66 1.913 4.697 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.653 5.205 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.075 5.682 -1.105 1.00 0.00 H new ATOM 1041 N MET A 67 3.877 3.176 -2.586 1.00 0.00 N ATOM 1042 CA MET A 67 4.861 2.120 -2.398 1.00 0.00 C ATOM 1043 C MET A 67 6.155 2.650 -1.794 1.00 0.00 C ATOM 1044 O MET A 67 6.796 3.556 -2.334 1.00 0.00 O ATOM 1045 CB MET A 67 5.149 1.389 -3.712 1.00 0.00 C ATOM 1046 CG MET A 67 4.022 0.462 -4.145 1.00 0.00 C ATOM 1047 SD MET A 67 4.420 -0.487 -5.627 1.00 0.00 S ATOM 1048 CE MET A 67 4.442 0.807 -6.863 1.00 0.00 C ATOM 0 H MET A 67 4.109 3.853 -3.313 1.00 0.00 H new ATOM 0 HA MET A 67 4.430 1.409 -1.693 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.327 2.124 -4.497 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.066 0.809 -3.604 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.791 -0.225 -3.331 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.124 1.052 -4.328 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.462 0.360 -7.857 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.549 1.424 -6.760 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.329 1.426 -6.726 1.00 0.00 H new ATOM 1058 N GLU A 68 6.527 2.069 -0.665 1.00 0.00 N ATOM 1059 CA GLU A 68 7.763 2.398 0.022 1.00 0.00 C ATOM 1060 C GLU A 68 8.780 1.298 -0.194 1.00 0.00 C ATOM 1061 O GLU A 68 8.417 0.149 -0.437 1.00 0.00 O ATOM 1062 CB GLU A 68 7.525 2.524 1.522 1.00 0.00 C ATOM 1063 CG GLU A 68 6.780 3.766 1.954 1.00 0.00 C ATOM 1064 CD GLU A 68 6.589 3.782 3.451 1.00 0.00 C ATOM 1065 OE1 GLU A 68 7.595 3.639 4.182 1.00 0.00 O ATOM 1066 OE2 GLU A 68 5.436 3.858 3.908 1.00 0.00 O ATOM 0 H GLU A 68 5.975 1.350 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 68 8.128 3.344 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.968 1.650 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.489 2.503 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.332 4.653 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.810 3.805 1.459 1.00 0.00 H new ATOM 1073 N ASP A 69 10.045 1.638 -0.072 1.00 0.00 N ATOM 1074 CA ASP A 69 11.102 0.652 -0.180 1.00 0.00 C ATOM 1075 C ASP A 69 11.762 0.422 1.175 1.00 0.00 C ATOM 1076 O ASP A 69 12.334 1.334 1.768 1.00 0.00 O ATOM 1077 CB ASP A 69 12.131 1.089 -1.219 1.00 0.00 C ATOM 1078 CG ASP A 69 13.379 0.233 -1.184 1.00 0.00 C ATOM 1079 OD1 ASP A 69 13.303 -0.955 -1.557 1.00 0.00 O ATOM 1080 OD2 ASP A 69 14.439 0.743 -0.761 1.00 0.00 O ATOM 0 H ASP A 69 10.368 2.590 0.102 1.00 0.00 H new ATOM 0 HA ASP A 69 10.665 -0.292 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.686 1.038 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.402 2.130 -1.044 1.00 0.00 H new ATOM 1085 N HIS A 70 11.624 -0.792 1.681 1.00 0.00 N ATOM 1086 CA HIS A 70 12.263 -1.205 2.927 1.00 0.00 C ATOM 1087 C HIS A 70 12.801 -2.613 2.755 1.00 0.00 C ATOM 1088 O HIS A 70 12.661 -3.465 3.631 1.00 0.00 O ATOM 1089 CB HIS A 70 11.282 -1.189 4.104 1.00 0.00 C ATOM 1090 CG HIS A 70 10.721 0.155 4.440 1.00 0.00 C ATOM 1091 ND1 HIS A 70 11.323 1.026 5.321 1.00 0.00 N ATOM 1092 CD2 HIS A 70 9.574 0.754 4.047 1.00 0.00 C ATOM 1093 CE1 HIS A 70 10.568 2.098 5.464 1.00 0.00 C ATOM 1094 NE2 HIS A 70 9.501 1.961 4.699 1.00 0.00 N ATOM 0 H HIS A 70 11.065 -1.523 1.241 1.00 0.00 H new ATOM 0 HA HIS A 70 13.065 -0.501 3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.457 -1.865 3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.788 -1.586 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.850 0.357 3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.786 2.944 6.099 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.746 2.640 4.607 1.00 0.00 H new ATOM 1103 N ARG A 71 13.373 -2.874 1.600 1.00 0.00 N ATOM 1104 CA ARG A 71 13.879 -4.194 1.311 1.00 0.00 C ATOM 1105 C ARG A 71 15.170 -4.425 2.079 1.00 0.00 C ATOM 1106 O ARG A 71 15.987 -3.515 2.213 1.00 0.00 O ATOM 1107 CB ARG A 71 14.051 -4.373 -0.194 1.00 0.00 C ATOM 1108 CG ARG A 71 12.771 -4.056 -0.955 1.00 0.00 C ATOM 1109 CD ARG A 71 12.885 -4.376 -2.433 1.00 0.00 C ATOM 1110 NE ARG A 71 13.173 -5.789 -2.649 1.00 0.00 N ATOM 1111 CZ ARG A 71 13.564 -6.309 -3.809 1.00 0.00 C ATOM 1112 NH1 ARG A 71 13.681 -5.542 -4.890 1.00 0.00 N ATOM 1113 NH2 ARG A 71 13.829 -7.605 -3.885 1.00 0.00 N ATOM 0 H ARG A 71 13.498 -2.193 0.851 1.00 0.00 H new ATOM 0 HA ARG A 71 13.164 -4.948 1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.853 -3.725 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.354 -5.399 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.946 -4.624 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.530 -3.000 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.956 -4.111 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.674 -3.770 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 71 13.067 -6.422 -1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.470 -4.546 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.982 -5.950 -5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.732 -8.195 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.129 -8.013 -4.770 1.00 0.00 H new ATOM 1127 N ASP A 72 15.304 -5.638 2.617 1.00 0.00 N ATOM 1128 CA ASP A 72 16.396 -6.010 3.525 1.00 0.00 C ATOM 1129 C ASP A 72 16.187 -5.394 4.917 1.00 0.00 C ATOM 1130 O ASP A 72 16.950 -5.652 5.844 1.00 0.00 O ATOM 1131 CB ASP A 72 17.753 -5.611 2.940 1.00 0.00 C ATOM 1132 CG ASP A 72 18.924 -6.269 3.643 1.00 0.00 C ATOM 1133 OD1 ASP A 72 19.178 -7.464 3.382 1.00 0.00 O ATOM 1134 OD2 ASP A 72 19.609 -5.592 4.440 1.00 0.00 O ATOM 0 H ASP A 72 14.651 -6.400 2.434 1.00 0.00 H new ATOM 0 HA ASP A 72 16.388 -7.094 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.777 -5.875 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.863 -4.528 3.001 1.00 0.00 H new ATOM 1139 N GLU A 73 15.127 -4.599 5.056 1.00 0.00 N ATOM 1140 CA GLU A 73 14.776 -3.983 6.336 1.00 0.00 C ATOM 1141 C GLU A 73 13.957 -4.953 7.185 1.00 0.00 C ATOM 1142 O GLU A 73 14.018 -4.926 8.415 1.00 0.00 O ATOM 1143 CB GLU A 73 13.957 -2.713 6.093 1.00 0.00 C ATOM 1144 CG GLU A 73 13.711 -1.874 7.332 1.00 0.00 C ATOM 1145 CD GLU A 73 14.983 -1.294 7.910 1.00 0.00 C ATOM 1146 OE1 GLU A 73 15.627 -1.966 8.740 1.00 0.00 O ATOM 1147 OE2 GLU A 73 15.333 -0.155 7.541 1.00 0.00 O ATOM 0 H GLU A 73 14.492 -4.365 4.293 1.00 0.00 H new ATOM 0 HA GLU A 73 15.696 -3.733 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.471 -2.101 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.995 -2.993 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.026 -1.062 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.220 -2.486 8.088 1.00 0.00 H new ATOM 1154 N ASP A 74 13.193 -5.800 6.488 1.00 0.00 N ATOM 1155 CA ASP A 74 12.294 -6.787 7.101 1.00 0.00 C ATOM 1156 C ASP A 74 10.993 -6.140 7.572 1.00 0.00 C ATOM 1157 O ASP A 74 10.938 -4.945 7.847 1.00 0.00 O ATOM 1158 CB ASP A 74 12.952 -7.550 8.253 1.00 0.00 C ATOM 1159 CG ASP A 74 13.907 -8.611 7.765 1.00 0.00 C ATOM 1160 OD1 ASP A 74 13.439 -9.595 7.165 1.00 0.00 O ATOM 1161 OD2 ASP A 74 15.128 -8.469 7.980 1.00 0.00 O ATOM 0 H ASP A 74 13.180 -5.821 5.468 1.00 0.00 H new ATOM 0 HA ASP A 74 12.063 -7.511 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.488 -6.848 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.180 -8.014 8.867 1.00 0.00 H new ATOM 1166 N PHE A 75 9.961 -6.967 7.683 1.00 0.00 N ATOM 1167 CA PHE A 75 8.578 -6.518 7.865 1.00 0.00 C ATOM 1168 C PHE A 75 8.344 -5.704 9.138 1.00 0.00 C ATOM 1169 O PHE A 75 8.582 -6.180 10.249 1.00 0.00 O ATOM 1170 CB PHE A 75 7.663 -7.738 7.868 1.00 0.00 C ATOM 1171 CG PHE A 75 6.252 -7.463 8.298 1.00 0.00 C ATOM 1172 CD1 PHE A 75 5.416 -6.674 7.527 1.00 0.00 C ATOM 1173 CD2 PHE A 75 5.761 -8.006 9.474 1.00 0.00 C ATOM 1174 CE1 PHE A 75 4.119 -6.435 7.918 1.00 0.00 C ATOM 1175 CE2 PHE A 75 4.462 -7.772 9.871 1.00 0.00 C ATOM 1176 CZ PHE A 75 3.639 -6.986 9.092 1.00 0.00 C ATOM 0 H PHE A 75 10.058 -7.982 7.649 1.00 0.00 H new ATOM 0 HA PHE A 75 8.355 -5.847 7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.646 -8.165 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.089 -8.493 8.529 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.786 -6.242 6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.404 -8.620 10.087 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.476 -5.817 7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.090 -8.203 10.789 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.620 -6.801 9.399 1.00 0.00 H new ATOM 1186 N VAL A 76 7.836 -4.484 8.947 1.00 0.00 N ATOM 1187 CA VAL A 76 7.407 -3.615 10.040 1.00 0.00 C ATOM 1188 C VAL A 76 6.261 -2.692 9.589 1.00 0.00 C ATOM 1189 O VAL A 76 6.489 -1.732 8.853 1.00 0.00 O ATOM 1190 CB VAL A 76 8.570 -2.735 10.591 1.00 0.00 C ATOM 1191 CG1 VAL A 76 9.555 -3.561 11.397 1.00 0.00 C ATOM 1192 CG2 VAL A 76 9.304 -2.014 9.470 1.00 0.00 C ATOM 0 H VAL A 76 7.711 -4.071 8.023 1.00 0.00 H new ATOM 0 HA VAL A 76 7.065 -4.275 10.837 1.00 0.00 H new ATOM 0 HB VAL A 76 8.118 -1.991 11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.353 -2.917 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.040 -4.021 12.240 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.981 -4.340 10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.108 -1.410 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.723 -2.746 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.607 -1.369 8.935 1.00 0.00 H new ATOM 1202 N LYS A 77 5.019 -3.015 9.977 1.00 0.00 N ATOM 1203 CA LYS A 77 3.909 -2.063 9.834 1.00 0.00 C ATOM 1204 C LYS A 77 2.625 -2.509 10.575 1.00 0.00 C ATOM 1205 O LYS A 77 2.343 -1.997 11.651 1.00 0.00 O ATOM 1206 CB LYS A 77 3.661 -1.664 8.359 1.00 0.00 C ATOM 1207 CG LYS A 77 2.407 -0.825 8.144 1.00 0.00 C ATOM 1208 CD LYS A 77 1.630 -1.269 6.915 1.00 0.00 C ATOM 1209 CE LYS A 77 2.521 -1.370 5.692 1.00 0.00 C ATOM 1210 NZ LYS A 77 1.786 -1.890 4.516 1.00 0.00 N ATOM 0 H LYS A 77 4.760 -3.913 10.386 1.00 0.00 H new ATOM 0 HA LYS A 77 4.224 -1.151 10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.524 -1.108 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.587 -2.569 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.767 -0.897 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.686 0.223 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.166 -2.236 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.823 -0.562 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.931 -0.387 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.365 -2.024 5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.462 -2.136 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.249 -2.737 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.130 -1.162 4.167 1.00 0.00 H new ATOM 1224 N PRO A 78 1.846 -3.474 10.051 1.00 0.00 N ATOM 1225 CA PRO A 78 0.598 -3.937 10.681 1.00 0.00 C ATOM 1226 C PRO A 78 0.828 -4.762 11.944 1.00 0.00 C ATOM 1227 O PRO A 78 -0.110 -5.339 12.491 1.00 0.00 O ATOM 1228 CB PRO A 78 -0.038 -4.836 9.613 1.00 0.00 C ATOM 1229 CG PRO A 78 0.714 -4.563 8.365 1.00 0.00 C ATOM 1230 CD PRO A 78 2.088 -4.178 8.809 1.00 0.00 C ATOM 0 HA PRO A 78 -0.012 -3.088 10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.033 -5.887 9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.097 -4.610 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.741 -5.442 7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.247 -3.762 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.723 -5.051 8.958 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.586 -3.543 8.076 1.00 0.00 H new ATOM 1238 N LYS A 79 2.068 -4.814 12.408 1.00 0.00 N ATOM 1239 CA LYS A 79 2.412 -5.669 13.532 1.00 0.00 C ATOM 1240 C LYS A 79 2.247 -4.941 14.868 1.00 0.00 C ATOM 1241 O LYS A 79 2.978 -5.201 15.826 1.00 0.00 O ATOM 1242 CB LYS A 79 3.836 -6.227 13.386 1.00 0.00 C ATOM 1243 CG LYS A 79 4.929 -5.180 13.206 1.00 0.00 C ATOM 1244 CD LYS A 79 6.267 -5.735 13.676 1.00 0.00 C ATOM 1245 CE LYS A 79 7.342 -4.666 13.752 1.00 0.00 C ATOM 1246 NZ LYS A 79 8.614 -5.203 14.311 1.00 0.00 N ATOM 0 H LYS A 79 2.847 -4.278 12.026 1.00 0.00 H new ATOM 0 HA LYS A 79 1.715 -6.507 13.526 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.068 -6.823 14.269 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.858 -6.903 12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.995 -4.889 12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.680 -4.282 13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.143 -6.192 14.658 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.590 -6.523 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.524 -4.262 12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.992 -3.841 14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.349 -4.468 14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.465 -5.488 15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.917 -6.028 13.754 1.00 0.00 H new ATOM 1260 N GLY A 80 1.290 -4.018 14.919 1.00 0.00 N ATOM 1261 CA GLY A 80 0.915 -3.381 16.171 1.00 0.00 C ATOM 1262 C GLY A 80 1.846 -2.265 16.607 1.00 0.00 C ATOM 1263 O GLY A 80 1.399 -1.144 16.845 1.00 0.00 O ATOM 0 H GLY A 80 0.763 -3.697 14.107 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.094 -2.979 16.073 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.882 -4.138 16.955 1.00 0.00 H new ATOM 1267 N ALA A 81 3.133 -2.580 16.721 1.00 0.00 N ATOM 1268 CA ALA A 81 4.132 -1.644 17.236 1.00 0.00 C ATOM 1269 C ALA A 81 4.066 -0.282 16.546 1.00 0.00 C ATOM 1270 O ALA A 81 3.780 0.731 17.185 1.00 0.00 O ATOM 1271 CB ALA A 81 5.523 -2.242 17.096 1.00 0.00 C ATOM 0 H ALA A 81 3.514 -3.489 16.460 1.00 0.00 H new ATOM 0 HA ALA A 81 3.910 -1.477 18.290 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.262 -1.539 17.482 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.578 -3.172 17.661 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.728 -2.444 16.045 1.00 0.00 H new ATOM 1277 N PHE A 82 4.335 -0.255 15.248 1.00 0.00 N ATOM 1278 CA PHE A 82 4.302 0.987 14.490 1.00 0.00 C ATOM 1279 C PHE A 82 4.092 0.691 13.014 1.00 0.00 C ATOM 1280 O PHE A 82 4.606 -0.301 12.494 1.00 0.00 O ATOM 1281 CB PHE A 82 5.595 1.796 14.703 1.00 0.00 C ATOM 1282 CG PHE A 82 6.860 1.076 14.315 1.00 0.00 C ATOM 1283 CD1 PHE A 82 7.420 0.125 15.153 1.00 0.00 C ATOM 1284 CD2 PHE A 82 7.494 1.357 13.115 1.00 0.00 C ATOM 1285 CE1 PHE A 82 8.583 -0.530 14.802 1.00 0.00 C ATOM 1286 CE2 PHE A 82 8.658 0.703 12.759 1.00 0.00 C ATOM 1287 CZ PHE A 82 9.203 -0.241 13.604 1.00 0.00 C ATOM 0 H PHE A 82 4.578 -1.079 14.698 1.00 0.00 H new ATOM 0 HA PHE A 82 3.468 1.589 14.849 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.528 2.720 14.128 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.662 2.078 15.754 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.940 -0.107 16.093 1.00 0.00 H new ATOM 0 HD2 PHE A 82 7.073 2.096 12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.008 -1.269 15.465 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.141 0.931 11.820 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.113 -0.753 13.328 1.00 0.00 H new ATOM 1297 N LYS A 83 3.330 1.550 12.345 1.00 0.00 N ATOM 1298 CA LYS A 83 3.021 1.355 10.933 1.00 0.00 C ATOM 1299 C LYS A 83 4.151 1.873 10.046 1.00 0.00 C ATOM 1300 O LYS A 83 4.060 1.833 8.818 1.00 0.00 O ATOM 1301 CB LYS A 83 1.682 2.009 10.567 1.00 0.00 C ATOM 1302 CG LYS A 83 1.596 3.497 10.867 1.00 0.00 C ATOM 1303 CD LYS A 83 0.166 4.003 10.736 1.00 0.00 C ATOM 1304 CE LYS A 83 0.035 5.464 11.149 1.00 0.00 C ATOM 1305 NZ LYS A 83 0.645 6.392 10.158 1.00 0.00 N ATOM 0 H LYS A 83 2.916 2.386 12.757 1.00 0.00 H new ATOM 0 HA LYS A 83 2.927 0.284 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.498 1.856 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.885 1.497 11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.962 3.689 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.243 4.047 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.166 3.887 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.492 3.392 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.020 5.711 11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.511 5.608 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.515 7.374 10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.661 6.188 10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.186 6.264 9.234 1.00 0.00 H new ATOM 1319 N ALA A 84 5.204 2.368 10.694 1.00 0.00 N ATOM 1320 CA ALA A 84 6.465 2.701 10.034 1.00 0.00 C ATOM 1321 C ALA A 84 6.286 3.670 8.870 1.00 0.00 C ATOM 1322 O ALA A 84 6.979 3.568 7.857 1.00 0.00 O ATOM 1323 CB ALA A 84 7.144 1.423 9.556 1.00 0.00 C ATOM 0 H ALA A 84 5.206 2.550 11.698 1.00 0.00 H new ATOM 0 HA ALA A 84 7.092 3.207 10.768 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.084 1.673 9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.342 0.775 10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.492 0.906 8.852 1.00 0.00 H new ATOM 1329 N PHE A 85 5.364 4.606 9.008 1.00 0.00 N ATOM 1330 CA PHE A 85 5.097 5.556 7.942 1.00 0.00 C ATOM 1331 C PHE A 85 6.021 6.763 8.063 1.00 0.00 C ATOM 1332 O PHE A 85 5.966 7.502 9.044 1.00 0.00 O ATOM 1333 CB PHE A 85 3.631 5.993 7.970 1.00 0.00 C ATOM 1334 CG PHE A 85 3.241 6.872 6.814 1.00 0.00 C ATOM 1335 CD1 PHE A 85 3.085 6.337 5.545 1.00 0.00 C ATOM 1336 CD2 PHE A 85 3.039 8.230 6.994 1.00 0.00 C ATOM 1337 CE1 PHE A 85 2.733 7.141 4.477 1.00 0.00 C ATOM 1338 CE2 PHE A 85 2.689 9.040 5.930 1.00 0.00 C ATOM 1339 CZ PHE A 85 2.536 8.495 4.671 1.00 0.00 C ATOM 0 H PHE A 85 4.790 4.729 9.842 1.00 0.00 H new ATOM 0 HA PHE A 85 5.291 5.069 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.997 5.107 7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.437 6.525 8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.240 5.280 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.156 8.661 7.977 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.612 6.712 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.535 10.098 6.084 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.263 9.126 3.838 1.00 0.00 H new ATOM 1349 N THR A 86 6.881 6.940 7.074 1.00 0.00 N ATOM 1350 CA THR A 86 7.812 8.051 7.062 1.00 0.00 C ATOM 1351 C THR A 86 7.953 8.593 5.642 1.00 0.00 C ATOM 1352 O THR A 86 7.857 7.843 4.668 1.00 0.00 O ATOM 1353 CB THR A 86 9.196 7.635 7.622 1.00 0.00 C ATOM 1354 OG1 THR A 86 10.064 8.776 7.698 1.00 0.00 O ATOM 1355 CG2 THR A 86 9.845 6.551 6.765 1.00 0.00 C ATOM 0 H THR A 86 6.952 6.323 6.265 1.00 0.00 H new ATOM 0 HA THR A 86 7.417 8.835 7.708 1.00 0.00 H new ATOM 0 HB THR A 86 9.039 7.229 8.621 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.935 8.502 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.814 6.284 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.203 5.670 6.745 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.982 6.923 5.750 1.00 0.00 H new ATOM 1363 N GLY A 87 8.153 9.900 5.530 1.00 0.00 N ATOM 1364 CA GLY A 87 8.224 10.527 4.228 1.00 0.00 C ATOM 1365 C GLY A 87 9.629 10.954 3.863 1.00 0.00 C ATOM 1366 O GLY A 87 10.022 10.875 2.698 1.00 0.00 O ATOM 0 H GLY A 87 8.267 10.536 6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.852 9.833 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.568 11.397 4.212 1.00 0.00 H new ATOM 1370 N GLU A 88 10.388 11.401 4.854 1.00 0.00 N ATOM 1371 CA GLU A 88 11.741 11.891 4.626 1.00 0.00 C ATOM 1372 C GLU A 88 12.642 10.763 4.131 1.00 0.00 C ATOM 1373 O GLU A 88 12.773 9.729 4.784 1.00 0.00 O ATOM 1374 CB GLU A 88 12.308 12.495 5.913 1.00 0.00 C ATOM 1375 CG GLU A 88 13.590 13.283 5.708 1.00 0.00 C ATOM 1376 CD GLU A 88 14.142 13.848 7.001 1.00 0.00 C ATOM 1377 OE1 GLU A 88 13.349 14.152 7.917 1.00 0.00 O ATOM 1378 OE2 GLU A 88 15.376 14.010 7.102 1.00 0.00 O ATOM 0 H GLU A 88 10.088 11.434 5.828 1.00 0.00 H new ATOM 0 HA GLU A 88 11.704 12.666 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.558 13.149 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.496 11.693 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.339 12.637 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.402 14.099 5.010 1.00 0.00 H new ATOM 1385 N GLY A 89 13.236 10.958 2.962 1.00 0.00 N ATOM 1386 CA GLY A 89 14.102 9.946 2.389 1.00 0.00 C ATOM 1387 C GLY A 89 13.355 9.032 1.438 1.00 0.00 C ATOM 1388 O GLY A 89 13.943 8.450 0.528 1.00 0.00 O ATOM 0 H GLY A 89 13.133 11.802 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.922 10.429 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.545 9.353 3.189 1.00 0.00 H new ATOM 1392 N GLN A 90 12.049 8.925 1.636 1.00 0.00 N ATOM 1393 CA GLN A 90 11.222 8.049 0.820 1.00 0.00 C ATOM 1394 C GLN A 90 10.512 8.854 -0.265 1.00 0.00 C ATOM 1395 O GLN A 90 10.743 8.653 -1.457 1.00 0.00 O ATOM 1396 CB GLN A 90 10.203 7.320 1.702 1.00 0.00 C ATOM 1397 CG GLN A 90 9.565 6.109 1.037 1.00 0.00 C ATOM 1398 CD GLN A 90 10.599 5.128 0.516 1.00 0.00 C ATOM 1399 OE1 GLN A 90 11.065 4.245 1.382 1.00 0.00 O flip ATOM 1400 NE2 GLN A 90 10.988 5.178 -0.648 1.00 0.00 N flip ATOM 0 H GLN A 90 11.539 9.435 2.357 1.00 0.00 H new ATOM 0 HA GLN A 90 11.859 7.308 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.695 7.000 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.418 8.020 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.916 5.604 1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.934 6.440 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.603 5.875 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.696 4.522 -0.978 1.00 0.00 H new ATOM 1409 N LYS A 91 9.673 9.790 0.162 1.00 0.00 N ATOM 1410 CA LYS A 91 8.937 10.650 -0.755 1.00 0.00 C ATOM 1411 C LYS A 91 9.399 12.094 -0.584 1.00 0.00 C ATOM 1412 O LYS A 91 8.591 13.018 -0.495 1.00 0.00 O ATOM 1413 CB LYS A 91 7.426 10.534 -0.504 1.00 0.00 C ATOM 1414 CG LYS A 91 6.870 9.143 -0.779 1.00 0.00 C ATOM 1415 CD LYS A 91 5.382 9.043 -0.459 1.00 0.00 C ATOM 1416 CE LYS A 91 4.545 9.955 -1.344 1.00 0.00 C ATOM 1417 NZ LYS A 91 3.088 9.807 -1.077 1.00 0.00 N ATOM 0 H LYS A 91 9.485 9.973 1.148 1.00 0.00 H new ATOM 0 HA LYS A 91 9.136 10.333 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.216 10.803 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.905 11.256 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.032 8.889 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.417 8.411 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.052 8.012 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.218 9.303 0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.840 10.991 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.747 9.729 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.565 10.548 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.769 8.872 -1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.911 9.898 -0.056 1.00 0.00 H new ATOM 1431 N LEU A 92 10.715 12.274 -0.559 1.00 0.00 N ATOM 1432 CA LEU A 92 11.330 13.574 -0.286 1.00 0.00 C ATOM 1433 C LEU A 92 11.369 14.444 -1.546 1.00 0.00 C ATOM 1434 O LEU A 92 12.419 14.956 -1.943 1.00 0.00 O ATOM 1435 CB LEU A 92 12.751 13.389 0.291 1.00 0.00 C ATOM 1436 CG LEU A 92 13.831 12.854 -0.671 1.00 0.00 C ATOM 1437 CD1 LEU A 92 15.195 12.912 -0.004 1.00 0.00 C ATOM 1438 CD2 LEU A 92 13.534 11.429 -1.116 1.00 0.00 C ATOM 0 H LEU A 92 11.387 11.526 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 92 10.717 14.087 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.088 14.351 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.686 12.709 1.140 1.00 0.00 H new ATOM 0 HG LEU A 92 13.828 13.488 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.952 12.532 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.428 13.944 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.185 12.301 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.318 11.088 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.498 10.776 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.573 11.401 -1.630 1.00 0.00 H new ATOM 1450 N GLY A 93 10.208 14.633 -2.152 1.00 0.00 N ATOM 1451 CA GLY A 93 10.139 15.343 -3.413 1.00 0.00 C ATOM 1452 C GLY A 93 10.194 14.390 -4.588 1.00 0.00 C ATOM 1453 O GLY A 93 10.677 14.735 -5.666 1.00 0.00 O ATOM 0 H GLY A 93 9.310 14.307 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.217 15.923 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.964 16.052 -3.479 1.00 0.00 H new ATOM 1457 N SER A 94 9.691 13.183 -4.372 1.00 0.00 N ATOM 1458 CA SER A 94 9.682 12.149 -5.401 1.00 0.00 C ATOM 1459 C SER A 94 8.548 12.378 -6.403 1.00 0.00 C ATOM 1460 O SER A 94 8.348 11.589 -7.326 1.00 0.00 O ATOM 1461 CB SER A 94 9.530 10.776 -4.739 1.00 0.00 C ATOM 1462 OG SER A 94 10.426 10.633 -3.646 1.00 0.00 O ATOM 0 H SER A 94 9.280 12.892 -3.485 1.00 0.00 H new ATOM 0 HA SER A 94 10.625 12.192 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.505 10.648 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.719 9.992 -5.473 1.00 0.00 H new ATOM 0 HG SER A 94 10.683 9.692 -3.555 1.00 0.00 H new ATOM 1468 N THR A 95 7.814 13.466 -6.217 1.00 0.00 N ATOM 1469 CA THR A 95 6.693 13.795 -7.079 1.00 0.00 C ATOM 1470 C THR A 95 6.592 15.314 -7.247 1.00 0.00 C ATOM 1471 O THR A 95 5.506 15.878 -7.400 1.00 0.00 O ATOM 1472 CB THR A 95 5.378 13.209 -6.507 1.00 0.00 C ATOM 1473 OG1 THR A 95 4.281 13.468 -7.390 1.00 0.00 O ATOM 1474 CG2 THR A 95 5.074 13.782 -5.128 1.00 0.00 C ATOM 0 H THR A 95 7.979 14.140 -5.469 1.00 0.00 H new ATOM 0 HA THR A 95 6.857 13.350 -8.060 1.00 0.00 H new ATOM 0 HB THR A 95 5.513 12.131 -6.414 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.258 14.422 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.145 13.352 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.889 13.539 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.970 14.865 -5.199 1.00 0.00 H new ATOM 1482 N ALA A 96 7.743 15.972 -7.227 1.00 0.00 N ATOM 1483 CA ALA A 96 7.796 17.421 -7.316 1.00 0.00 C ATOM 1484 C ALA A 96 9.031 17.869 -8.086 1.00 0.00 C ATOM 1485 O ALA A 96 10.156 17.537 -7.714 1.00 0.00 O ATOM 1486 CB ALA A 96 7.792 18.034 -5.922 1.00 0.00 C ATOM 0 H ALA A 96 8.655 15.521 -7.150 1.00 0.00 H new ATOM 0 HA ALA A 96 6.913 17.765 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.832 19.120 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.881 17.742 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.660 17.679 -5.366 1.00 0.00 H new ATOM 1492 N PRO A 97 8.834 18.610 -9.189 1.00 0.00 N ATOM 1493 CA PRO A 97 9.936 19.166 -9.984 1.00 0.00 C ATOM 1494 C PRO A 97 10.711 20.224 -9.206 1.00 0.00 C ATOM 1495 O PRO A 97 11.889 20.481 -9.472 1.00 0.00 O ATOM 1496 CB PRO A 97 9.237 19.801 -11.195 1.00 0.00 C ATOM 1497 CG PRO A 97 7.858 19.234 -11.198 1.00 0.00 C ATOM 1498 CD PRO A 97 7.525 18.950 -9.763 1.00 0.00 C ATOM 0 HA PRO A 97 10.665 18.404 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 97 9.215 20.888 -11.111 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.762 19.564 -12.121 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.148 19.938 -11.632 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.811 18.324 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.080 19.815 -9.272 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.815 18.129 -9.667 1.00 0.00 H new ATOM 1506 N GLN A 98 10.028 20.840 -8.252 1.00 0.00 N ATOM 1507 CA GLN A 98 10.637 21.817 -7.362 1.00 0.00 C ATOM 1508 C GLN A 98 11.190 21.123 -6.123 1.00 0.00 C ATOM 1509 O GLN A 98 10.434 20.628 -5.286 1.00 0.00 O ATOM 1510 CB GLN A 98 9.611 22.887 -6.971 1.00 0.00 C ATOM 1511 CG GLN A 98 8.219 22.328 -6.707 1.00 0.00 C ATOM 1512 CD GLN A 98 7.247 23.384 -6.230 1.00 0.00 C ATOM 1513 OE1 GLN A 98 6.603 24.062 -7.030 1.00 0.00 O ATOM 1514 NE2 GLN A 98 7.117 23.512 -4.923 1.00 0.00 N ATOM 0 H GLN A 98 9.037 20.677 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 98 11.462 22.305 -7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.961 23.405 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.551 23.629 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.835 21.873 -7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.285 21.537 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.671 22.929 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.462 24.194 -4.540 1.00 0.00 H new ATOM 1523 N VAL A 99 12.507 21.082 -6.007 1.00 0.00 N ATOM 1524 CA VAL A 99 13.145 20.375 -4.906 1.00 0.00 C ATOM 1525 C VAL A 99 13.235 21.267 -3.672 1.00 0.00 C ATOM 1526 O VAL A 99 14.296 21.794 -3.332 1.00 0.00 O ATOM 1527 CB VAL A 99 14.548 19.854 -5.292 1.00 0.00 C ATOM 1528 CG1 VAL A 99 15.107 18.949 -4.203 1.00 0.00 C ATOM 1529 CG2 VAL A 99 14.497 19.112 -6.619 1.00 0.00 C ATOM 0 H VAL A 99 13.154 21.527 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 99 12.522 19.511 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 99 15.210 20.713 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.095 18.594 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.184 19.507 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.443 18.097 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.494 18.753 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.816 18.265 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.144 19.786 -7.399 1.00 0.00 H new ATOM 1539 N LEU A 100 12.097 21.442 -3.021 1.00 0.00 N ATOM 1540 CA LEU A 100 12.004 22.222 -1.797 1.00 0.00 C ATOM 1541 C LEU A 100 11.184 21.445 -0.782 1.00 0.00 C ATOM 1542 O LEU A 100 10.216 21.953 -0.208 1.00 0.00 O ATOM 1543 CB LEU A 100 11.331 23.548 -2.068 1.00 0.00 C ATOM 1544 CG LEU A 100 11.613 24.630 -1.032 1.00 0.00 C ATOM 1545 CD1 LEU A 100 13.045 25.128 -1.154 1.00 0.00 C ATOM 1546 CD2 LEU A 100 10.628 25.777 -1.177 1.00 0.00 C ATOM 0 H LEU A 100 11.208 21.046 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 100 13.007 22.408 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 100 11.650 23.909 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 100 10.254 23.389 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 100 11.488 24.197 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 100 13.227 25.900 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 100 13.734 24.298 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 100 13.202 25.543 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.845 26.540 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.718 26.210 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.613 25.406 -1.033 1.00 0.00 H new ATOM 1558 N SER A 101 11.581 20.200 -0.612 1.00 0.00 N ATOM 1559 CA SER A 101 10.886 19.222 0.227 1.00 0.00 C ATOM 1560 C SER A 101 9.621 18.727 -0.477 1.00 0.00 C ATOM 1561 O SER A 101 9.458 17.528 -0.709 1.00 0.00 O ATOM 1562 CB SER A 101 10.563 19.792 1.619 1.00 0.00 C ATOM 1563 OG SER A 101 11.743 20.218 2.288 1.00 0.00 O ATOM 0 H SER A 101 12.416 19.823 -1.061 1.00 0.00 H new ATOM 0 HA SER A 101 11.553 18.373 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.875 20.632 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.057 19.034 2.217 1.00 0.00 H new ATOM 0 HG SER A 101 11.508 20.577 3.169 1.00 0.00 H new ATOM 1569 N THR A 102 8.739 19.651 -0.825 1.00 0.00 N ATOM 1570 CA THR A 102 7.552 19.341 -1.607 1.00 0.00 C ATOM 1571 C THR A 102 7.081 20.592 -2.344 1.00 0.00 C ATOM 1572 O THR A 102 6.583 21.527 -1.677 1.00 0.00 O ATOM 1573 CB THR A 102 6.399 18.791 -0.737 1.00 0.00 C ATOM 1574 OG1 THR A 102 6.835 17.639 0.003 1.00 0.00 O ATOM 1575 CG2 THR A 102 5.208 18.409 -1.605 1.00 0.00 C ATOM 1576 OXT THR A 102 7.222 20.646 -3.581 1.00 0.00 O ATOM 0 H THR A 102 8.826 20.636 -0.574 1.00 0.00 H new ATOM 0 HA THR A 102 7.827 18.562 -2.318 1.00 0.00 H new ATOM 0 HB THR A 102 6.098 19.575 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.742 17.395 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.407 18.024 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.855 19.287 -2.145 1.00 0.00 H new ATOM 0 HG23 THR A 102 5.509 17.642 -2.318 1.00 0.00 H new TER 1584 THR A 102