USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 673 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 51 HIS : no HD1:sc= -4.68! C(o=-6!,f=-6.5!) USER MOD Set 1.2: A 54 HIS : no HD1:sc= -1.28 K(o=-6,f=-6.5) USER MOD Set 2.1: A 46 CYS SG : rot 30:sc= 1.14 USER MOD Set 2.2: A 70 MET CE :methyl -125:sc=-2.35e-05 (180deg=-0.287) USER MOD Set 3.1: A 10 THR OG1 : rot 101:sc= -2.52 USER MOD Set 3.2: A 81 MET CE :methyl -122:sc= -5 (180deg=-9.05!) USER MOD Set 4.1: A 5 THR OG1 : rot 16:sc= 0.422 USER MOD Set 4.2: A 92 GLN :FLIP amide:sc= -0.136 F(o=-0.33,f=0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.29 (180deg=-1.31) USER MOD Single : A 4 SER OG : rot 121:sc= 0.685 USER MOD Single : A 6 SER OG : rot 132:sc= -0.541 USER MOD Single : A 7 HIS : no HD1:sc= -2.99 K(o=-3,f=-4.8!) USER MOD Single : A 12 SER OG : rot -62:sc= 1.09 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -4.68! C(o=-5.6!,f=-4.7!) USER MOD Single : A 21 CYS SG : rot -111:sc= 0.04 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0393) USER MOD Single : A 23 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-0.7) USER MOD Single : A 26 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.41) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -24:sc= 0.642 USER MOD Single : A 45 ASN :FLIP amide:sc= -3.59! C(o=-4.6!,f=-3.6!) USER MOD Single : A 57 MET CE :methyl 171:sc= -4.55! (180deg=-4.97!) USER MOD Single : A 60 ASN : amide:sc= -2.27 K(o=-2.3,f=-10!) USER MOD Single : A 61 SER OG : rot -65:sc= -6.02! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0.0064) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.19! C(o=-2.6!,f=-1.2!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.45 K(o=-3.5,f=-4.7!) USER MOD Single : A 79 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.376 15.238 -5.808 1.00 0.00 N ATOM 2 CA MET A 1 6.887 14.299 -4.759 1.00 0.00 C ATOM 3 C MET A 1 5.453 14.614 -4.352 1.00 0.00 C ATOM 4 O MET A 1 5.193 15.402 -3.444 1.00 0.00 O ATOM 5 CB MET A 1 7.834 14.351 -3.559 1.00 0.00 C ATOM 6 CG MET A 1 7.809 15.666 -2.794 1.00 0.00 C ATOM 7 SD MET A 1 7.764 15.432 -1.006 1.00 0.00 S ATOM 8 CE MET A 1 9.447 15.856 -0.565 1.00 0.00 C ATOM 0 H1 MET A 1 8.366 15.017 -6.038 1.00 0.00 H new ATOM 0 H2 MET A 1 6.792 15.139 -6.663 1.00 0.00 H new ATOM 0 H3 MET A 1 7.312 16.215 -5.457 1.00 0.00 H new ATOM 0 HA MET A 1 6.880 13.287 -5.163 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.578 13.542 -2.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.851 14.166 -3.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.690 16.251 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.938 16.244 -3.102 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.576 15.759 0.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.137 15.184 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.654 16.883 -0.864 1.00 0.00 H new ATOM 17 N PHE A 2 4.527 13.968 -5.038 1.00 0.00 N ATOM 18 CA PHE A 2 3.100 14.138 -4.773 1.00 0.00 C ATOM 19 C PHE A 2 2.627 13.025 -3.843 1.00 0.00 C ATOM 20 O PHE A 2 3.375 12.081 -3.587 1.00 0.00 O ATOM 21 CB PHE A 2 2.296 14.124 -6.082 1.00 0.00 C ATOM 22 CG PHE A 2 3.096 14.482 -7.304 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.619 15.757 -7.456 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.308 13.550 -8.307 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.340 16.093 -8.585 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.029 13.882 -9.436 1.00 0.00 C ATOM 27 CZ PHE A 2 4.544 15.155 -9.577 1.00 0.00 C ATOM 0 H PHE A 2 4.736 13.313 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 2 2.938 15.104 -4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.867 13.131 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.463 14.821 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.461 16.495 -6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.905 12.553 -8.204 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.744 17.089 -8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.190 13.146 -10.209 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.105 15.417 -10.462 1.00 0.00 H new ATOM 37 N ARG A 3 1.401 13.117 -3.328 1.00 0.00 N ATOM 38 CA ARG A 3 0.912 12.074 -2.431 1.00 0.00 C ATOM 39 C ARG A 3 -0.603 11.873 -2.525 1.00 0.00 C ATOM 40 O ARG A 3 -1.383 12.806 -2.329 1.00 0.00 O ATOM 41 CB ARG A 3 1.318 12.362 -0.977 1.00 0.00 C ATOM 42 CG ARG A 3 2.098 11.221 -0.347 1.00 0.00 C ATOM 43 CD ARG A 3 3.579 11.545 -0.225 1.00 0.00 C ATOM 44 NE ARG A 3 4.036 11.496 1.162 1.00 0.00 N ATOM 45 CZ ARG A 3 3.869 12.489 2.034 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.257 13.608 1.668 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.316 12.362 3.276 1.00 0.00 N ATOM 0 H ARG A 3 0.747 13.878 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 3 1.382 11.146 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.921 13.269 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.423 12.554 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.691 11.005 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.972 10.320 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.155 10.838 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.768 12.537 -0.635 1.00 0.00 H new ATOM 0 HE ARG A 3 4.511 10.652 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.911 13.712 0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.132 14.365 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.787 11.504 3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.188 13.122 3.944 1.00 0.00 H new ATOM 61 N SER A 4 -0.998 10.629 -2.802 1.00 0.00 N ATOM 62 CA SER A 4 -2.400 10.237 -2.904 1.00 0.00 C ATOM 63 C SER A 4 -2.718 9.250 -1.790 1.00 0.00 C ATOM 64 O SER A 4 -1.805 8.677 -1.193 1.00 0.00 O ATOM 65 CB SER A 4 -2.675 9.590 -4.269 1.00 0.00 C ATOM 66 OG SER A 4 -3.690 8.604 -4.177 1.00 0.00 O ATOM 0 H SER A 4 -0.346 9.861 -2.963 1.00 0.00 H new ATOM 0 HA SER A 4 -3.031 11.120 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.974 10.357 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.759 9.138 -4.651 1.00 0.00 H new ATOM 0 HG SER A 4 -4.430 8.839 -4.776 1.00 0.00 H new ATOM 72 N THR A 5 -3.998 9.042 -1.498 1.00 0.00 N ATOM 73 CA THR A 5 -4.360 8.108 -0.440 1.00 0.00 C ATOM 74 C THR A 5 -5.658 7.361 -0.733 1.00 0.00 C ATOM 75 O THR A 5 -6.691 7.970 -1.012 1.00 0.00 O ATOM 76 CB THR A 5 -4.471 8.830 0.910 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.624 9.652 0.940 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.279 9.706 1.257 1.00 0.00 C ATOM 0 H THR A 5 -4.783 9.495 -1.966 1.00 0.00 H new ATOM 0 HA THR A 5 -3.559 7.370 -0.394 1.00 0.00 H new ATOM 0 HB THR A 5 -4.521 8.028 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.228 9.395 0.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.443 10.177 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.378 9.094 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.160 10.476 0.495 1.00 0.00 H new ATOM 86 N SER A 6 -5.594 6.033 -0.642 1.00 0.00 N ATOM 87 CA SER A 6 -6.765 5.188 -0.871 1.00 0.00 C ATOM 88 C SER A 6 -7.254 4.574 0.444 1.00 0.00 C ATOM 89 O SER A 6 -6.469 4.002 1.201 1.00 0.00 O ATOM 90 CB SER A 6 -6.435 4.076 -1.869 1.00 0.00 C ATOM 91 OG SER A 6 -7.603 3.368 -2.247 1.00 0.00 O ATOM 0 H SER A 6 -4.744 5.519 -0.411 1.00 0.00 H new ATOM 0 HA SER A 6 -7.557 5.813 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.963 4.505 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.716 3.387 -1.426 1.00 0.00 H new ATOM 0 HG SER A 6 -7.632 3.281 -3.223 1.00 0.00 H new ATOM 97 N HIS A 7 -8.555 4.694 0.709 1.00 0.00 N ATOM 98 CA HIS A 7 -9.148 4.146 1.935 1.00 0.00 C ATOM 99 C HIS A 7 -10.111 3.002 1.609 1.00 0.00 C ATOM 100 O HIS A 7 -10.988 3.144 0.757 1.00 0.00 O ATOM 101 CB HIS A 7 -9.879 5.250 2.713 1.00 0.00 C ATOM 102 CG HIS A 7 -10.344 4.839 4.081 1.00 0.00 C ATOM 103 ND1 HIS A 7 -11.064 3.687 4.327 1.00 0.00 N ATOM 104 CD2 HIS A 7 -10.194 5.446 5.283 1.00 0.00 C ATOM 105 CE1 HIS A 7 -11.332 3.604 5.618 1.00 0.00 C ATOM 106 NE2 HIS A 7 -10.815 4.659 6.220 1.00 0.00 N ATOM 0 H HIS A 7 -9.219 5.164 0.094 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.344 3.751 2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.216 6.109 2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.741 5.577 2.132 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.680 6.378 5.469 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.881 2.808 6.099 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.868 4.857 7.219 1.00 0.00 H new ATOM 115 N VAL A 8 -9.941 1.866 2.289 1.00 0.00 N ATOM 116 CA VAL A 8 -10.796 0.700 2.062 1.00 0.00 C ATOM 117 C VAL A 8 -11.139 0.005 3.377 1.00 0.00 C ATOM 118 O VAL A 8 -10.370 0.075 4.337 1.00 0.00 O ATOM 119 CB VAL A 8 -10.117 -0.326 1.127 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.150 -1.232 0.474 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.272 0.374 0.070 1.00 0.00 C ATOM 0 H VAL A 8 -9.221 1.729 2.999 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.708 1.068 1.592 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.456 -0.945 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.647 -1.945 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.700 -1.771 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.844 -0.629 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.805 -0.371 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.907 1.026 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.499 0.968 0.557 1.00 0.00 H new ATOM 131 N ARG A 9 -12.279 -0.685 3.422 1.00 0.00 N ATOM 132 CA ARG A 9 -12.664 -1.403 4.638 1.00 0.00 C ATOM 133 C ARG A 9 -12.334 -2.890 4.500 1.00 0.00 C ATOM 134 O ARG A 9 -13.009 -3.622 3.778 1.00 0.00 O ATOM 135 CB ARG A 9 -14.157 -1.222 4.946 1.00 0.00 C ATOM 136 CG ARG A 9 -14.441 -0.057 5.878 1.00 0.00 C ATOM 137 CD ARG A 9 -14.144 1.276 5.211 1.00 0.00 C ATOM 138 NE ARG A 9 -14.860 2.379 5.849 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.749 3.651 5.473 1.00 0.00 C ATOM 140 NH1 ARG A 9 -13.955 3.985 4.464 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.434 4.591 6.107 1.00 0.00 N ATOM 0 H ARG A 9 -12.940 -0.762 2.649 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.095 -0.984 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.698 -1.071 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.542 -2.138 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.485 -0.085 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.837 -0.156 6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.072 1.470 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.421 1.224 4.158 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.481 2.161 6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.426 3.265 3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.874 4.961 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.046 4.340 6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.349 5.566 5.819 1.00 0.00 H new ATOM 155 N THR A 10 -11.282 -3.322 5.196 1.00 0.00 N ATOM 156 CA THR A 10 -10.843 -4.715 5.156 1.00 0.00 C ATOM 157 C THR A 10 -10.643 -5.282 6.564 1.00 0.00 C ATOM 158 O THR A 10 -10.407 -4.534 7.506 1.00 0.00 O ATOM 159 CB THR A 10 -9.561 -4.831 4.328 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.757 -5.704 3.230 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.370 -5.337 5.107 1.00 0.00 C ATOM 0 H THR A 10 -10.716 -2.723 5.797 1.00 0.00 H new ATOM 0 HA THR A 10 -11.624 -5.308 4.681 1.00 0.00 H new ATOM 0 HB THR A 10 -9.343 -3.814 4.001 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.903 -5.178 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.502 -5.391 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.159 -4.657 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.588 -6.329 5.502 1.00 0.00 H new ATOM 169 N GLU A 11 -10.710 -6.603 6.702 1.00 0.00 N ATOM 170 CA GLU A 11 -10.509 -7.243 8.004 1.00 0.00 C ATOM 171 C GLU A 11 -9.140 -7.931 8.090 1.00 0.00 C ATOM 172 O GLU A 11 -8.645 -8.469 7.100 1.00 0.00 O ATOM 173 CB GLU A 11 -11.621 -8.256 8.264 1.00 0.00 C ATOM 174 CG GLU A 11 -12.460 -7.919 9.482 1.00 0.00 C ATOM 175 CD GLU A 11 -13.949 -7.942 9.194 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.348 -7.500 8.097 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.714 -8.402 10.066 1.00 0.00 O ATOM 0 H GLU A 11 -10.900 -7.249 5.936 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.539 -6.465 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.268 -8.309 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.181 -9.244 8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.238 -8.629 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.180 -6.931 9.848 1.00 0.00 H new ATOM 184 N SER A 12 -8.533 -7.912 9.285 1.00 0.00 N ATOM 185 CA SER A 12 -7.228 -8.536 9.502 1.00 0.00 C ATOM 186 C SER A 12 -6.167 -7.936 8.583 1.00 0.00 C ATOM 187 O SER A 12 -5.178 -8.585 8.240 1.00 0.00 O ATOM 188 CB SER A 12 -7.322 -10.046 9.295 1.00 0.00 C ATOM 189 OG SER A 12 -6.037 -10.642 9.252 1.00 0.00 O ATOM 0 H SER A 12 -8.929 -7.470 10.115 1.00 0.00 H new ATOM 0 HA SER A 12 -6.927 -8.339 10.531 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.904 -10.490 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.853 -10.255 8.367 1.00 0.00 H new ATOM 0 HG SER A 12 -5.536 -10.284 8.490 1.00 0.00 H new ATOM 195 N ALA A 13 -6.390 -6.692 8.194 1.00 0.00 N ATOM 196 CA ALA A 13 -5.469 -5.969 7.309 1.00 0.00 C ATOM 197 C ALA A 13 -4.023 -5.992 7.801 1.00 0.00 C ATOM 198 O ALA A 13 -3.103 -6.305 7.046 1.00 0.00 O ATOM 199 CB ALA A 13 -5.916 -4.529 7.169 1.00 0.00 C ATOM 0 H ALA A 13 -7.207 -6.150 8.476 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.497 -6.481 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.229 -3.997 6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.920 -4.499 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.921 -4.053 8.149 1.00 0.00 H new ATOM 205 N ALA A 14 -3.829 -5.603 9.053 1.00 0.00 N ATOM 206 CA ALA A 14 -2.489 -5.511 9.649 1.00 0.00 C ATOM 207 C ALA A 14 -1.562 -6.677 9.284 1.00 0.00 C ATOM 208 O ALA A 14 -0.343 -6.512 9.289 1.00 0.00 O ATOM 209 CB ALA A 14 -2.612 -5.377 11.155 1.00 0.00 C ATOM 0 H ALA A 14 -4.585 -5.342 9.686 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.019 -4.623 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.618 -5.309 11.597 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.178 -4.477 11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.128 -6.249 11.557 1.00 0.00 H new ATOM 215 N ARG A 15 -2.116 -7.843 8.970 1.00 0.00 N ATOM 216 CA ARG A 15 -1.289 -8.993 8.616 1.00 0.00 C ATOM 217 C ARG A 15 -0.841 -8.928 7.167 1.00 0.00 C ATOM 218 O ARG A 15 0.308 -9.240 6.853 1.00 0.00 O ATOM 219 CB ARG A 15 -2.044 -10.294 8.882 1.00 0.00 C ATOM 220 CG ARG A 15 -1.132 -11.502 9.003 1.00 0.00 C ATOM 221 CD ARG A 15 -0.438 -11.850 7.691 1.00 0.00 C ATOM 222 NE ARG A 15 -0.713 -13.225 7.284 1.00 0.00 N ATOM 223 CZ ARG A 15 -0.313 -14.295 7.967 1.00 0.00 C ATOM 224 NH1 ARG A 15 0.385 -14.153 9.087 1.00 0.00 N ATOM 225 NH2 ARG A 15 -0.611 -15.510 7.529 1.00 0.00 N ATOM 0 H ARG A 15 -3.121 -8.017 8.953 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.397 -8.968 9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.622 -10.190 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.756 -10.464 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.379 -11.308 9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.715 -12.360 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.771 -11.166 6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.638 -11.711 7.800 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.243 -13.374 6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.617 -13.220 9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.689 -14.977 9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.147 -15.625 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.305 -16.330 8.052 1.00 0.00 H new ATOM 239 N TYR A 16 -1.734 -8.508 6.287 1.00 0.00 N ATOM 240 CA TYR A 16 -1.388 -8.397 4.873 1.00 0.00 C ATOM 241 C TYR A 16 -0.270 -7.377 4.705 1.00 0.00 C ATOM 242 O TYR A 16 0.486 -7.442 3.744 1.00 0.00 O ATOM 243 CB TYR A 16 -2.603 -8.018 4.014 1.00 0.00 C ATOM 244 CG TYR A 16 -3.764 -9.013 4.030 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.615 -10.348 4.431 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.031 -8.597 3.640 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.694 -11.213 4.441 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.107 -9.461 3.649 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.935 -10.766 4.051 1.00 0.00 C ATOM 250 OH TYR A 16 -7.007 -11.627 4.062 1.00 0.00 O ATOM 0 H TYR A 16 -2.691 -8.241 6.518 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.047 -9.372 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.974 -7.050 4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.271 -7.892 2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.643 -10.706 4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.177 -7.575 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.562 -12.238 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.082 -9.114 3.341 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.810 -11.154 3.759 1.00 0.00 H new ATOM 260 N VAL A 17 -0.146 -6.455 5.667 1.00 0.00 N ATOM 261 CA VAL A 17 0.917 -5.452 5.627 1.00 0.00 C ATOM 262 C VAL A 17 2.218 -6.058 6.139 1.00 0.00 C ATOM 263 O VAL A 17 3.285 -5.829 5.571 1.00 0.00 O ATOM 264 CB VAL A 17 0.569 -4.178 6.449 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.820 -3.456 6.946 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.256 -3.226 5.614 1.00 0.00 C ATOM 0 H VAL A 17 -0.764 -6.385 6.475 1.00 0.00 H new ATOM 0 HA VAL A 17 1.030 -5.143 4.588 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.002 -4.504 7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.529 -2.573 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.397 -4.125 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.429 -3.154 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.493 -2.339 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.309 -2.935 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.180 -3.717 5.309 1.00 0.00 H new ATOM 276 N ASN A 18 2.125 -6.827 7.220 1.00 0.00 N ATOM 277 CA ASN A 18 3.302 -7.452 7.802 1.00 0.00 C ATOM 278 C ASN A 18 3.850 -8.564 6.908 1.00 0.00 C ATOM 279 O ASN A 18 5.050 -8.835 6.921 1.00 0.00 O ATOM 280 CB ASN A 18 2.981 -8.012 9.190 1.00 0.00 C ATOM 281 CG ASN A 18 2.226 -7.024 10.060 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.553 -5.742 9.931 1.00 0.00 O flip ATOM 283 ND2 ASN A 18 1.358 -7.410 10.843 1.00 0.00 N flip ATOM 0 H ASN A 18 1.251 -7.030 7.706 1.00 0.00 H new ATOM 0 HA ASN A 18 4.068 -6.682 7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.389 -8.921 9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.909 -8.293 9.688 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.138 -8.404 10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.859 -6.736 11.424 1.00 0.00 H new ATOM 290 N ARG A 19 2.975 -9.215 6.144 1.00 0.00 N ATOM 291 CA ARG A 19 3.399 -10.301 5.271 1.00 0.00 C ATOM 292 C ARG A 19 4.074 -9.791 3.998 1.00 0.00 C ATOM 293 O ARG A 19 4.777 -10.542 3.323 1.00 0.00 O ATOM 294 CB ARG A 19 2.201 -11.175 4.908 1.00 0.00 C ATOM 295 CG ARG A 19 2.546 -12.647 4.804 1.00 0.00 C ATOM 296 CD ARG A 19 1.752 -13.482 5.792 1.00 0.00 C ATOM 297 NE ARG A 19 2.118 -14.896 5.732 1.00 0.00 N ATOM 298 CZ ARG A 19 3.234 -15.396 6.256 1.00 0.00 C ATOM 299 NH1 ARG A 19 4.096 -14.602 6.879 1.00 0.00 N ATOM 300 NH2 ARG A 19 3.489 -16.693 6.157 1.00 0.00 N ATOM 0 H ARG A 19 1.976 -9.010 6.113 1.00 0.00 H new ATOM 0 HA ARG A 19 4.135 -10.890 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.422 -11.043 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.788 -10.837 3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.348 -12.996 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.612 -12.784 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.920 -13.107 6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.687 -13.374 5.585 1.00 0.00 H new ATOM 0 HE ARG A 19 1.480 -15.537 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.904 -13.603 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.950 -14.991 7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.830 -17.307 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.345 -17.077 6.559 1.00 0.00 H new ATOM 314 N LEU A 20 3.852 -8.525 3.664 1.00 0.00 N ATOM 315 CA LEU A 20 4.438 -7.945 2.456 1.00 0.00 C ATOM 316 C LEU A 20 5.948 -7.792 2.571 1.00 0.00 C ATOM 317 O LEU A 20 6.684 -8.170 1.658 1.00 0.00 O ATOM 318 CB LEU A 20 3.809 -6.587 2.154 1.00 0.00 C ATOM 319 CG LEU A 20 2.303 -6.606 1.883 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.872 -5.286 1.263 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.905 -7.769 0.972 1.00 0.00 C ATOM 0 H LEU A 20 3.275 -7.882 4.207 1.00 0.00 H new ATOM 0 HA LEU A 20 4.229 -8.635 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.001 -5.922 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.311 -6.158 1.287 1.00 0.00 H new ATOM 0 HG LEU A 20 1.794 -6.745 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.799 -5.307 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.104 -4.470 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.404 -5.134 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.828 -7.747 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.423 -7.677 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.179 -8.712 1.445 1.00 0.00 H new ATOM 333 N CYS A 21 6.416 -7.236 3.683 1.00 0.00 N ATOM 334 CA CYS A 21 7.850 -7.046 3.876 1.00 0.00 C ATOM 335 C CYS A 21 8.577 -8.376 3.737 1.00 0.00 C ATOM 336 O CYS A 21 9.708 -8.435 3.256 1.00 0.00 O ATOM 337 CB CYS A 21 8.144 -6.409 5.239 1.00 0.00 C ATOM 338 SG CYS A 21 7.062 -5.023 5.654 1.00 0.00 S ATOM 0 H CYS A 21 5.833 -6.913 4.455 1.00 0.00 H new ATOM 0 HA CYS A 21 8.212 -6.365 3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.052 -7.172 6.012 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.178 -6.065 5.252 1.00 0.00 H new ATOM 0 HG CYS A 21 7.750 -3.920 5.651 1.00 0.00 H new ATOM 344 N LYS A 22 7.908 -9.445 4.143 1.00 0.00 N ATOM 345 CA LYS A 22 8.474 -10.779 4.045 1.00 0.00 C ATOM 346 C LYS A 22 8.238 -11.364 2.649 1.00 0.00 C ATOM 347 O LYS A 22 8.928 -12.294 2.229 1.00 0.00 O ATOM 348 CB LYS A 22 7.864 -11.688 5.111 1.00 0.00 C ATOM 349 CG LYS A 22 8.011 -11.145 6.527 1.00 0.00 C ATOM 350 CD LYS A 22 6.709 -11.258 7.303 1.00 0.00 C ATOM 351 CE LYS A 22 6.407 -12.699 7.666 1.00 0.00 C ATOM 352 NZ LYS A 22 7.275 -13.188 8.772 1.00 0.00 N ATOM 0 H LYS A 22 6.971 -9.413 4.544 1.00 0.00 H new ATOM 0 HA LYS A 22 9.549 -10.713 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.806 -11.831 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.337 -12.669 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.796 -11.693 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.323 -10.101 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.771 -10.657 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.892 -10.852 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.361 -12.788 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.547 -13.331 6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.938 -14.118 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.255 -13.272 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.240 -12.515 9.564 1.00 0.00 H new ATOM 366 N HIS A 23 7.247 -10.817 1.940 1.00 0.00 N ATOM 367 CA HIS A 23 6.900 -11.282 0.602 1.00 0.00 C ATOM 368 C HIS A 23 7.757 -10.630 -0.481 1.00 0.00 C ATOM 369 O HIS A 23 8.451 -11.320 -1.227 1.00 0.00 O ATOM 370 CB HIS A 23 5.422 -11.016 0.316 1.00 0.00 C ATOM 371 CG HIS A 23 4.850 -11.900 -0.749 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.387 -11.998 -2.015 1.00 0.00 N ATOM 373 CD2 HIS A 23 3.783 -12.734 -0.730 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.674 -12.851 -2.729 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.696 -13.312 -1.972 1.00 0.00 N ATOM 0 H HIS A 23 6.670 -10.047 2.277 1.00 0.00 H new ATOM 0 HA HIS A 23 7.096 -12.354 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.852 -11.153 1.235 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.300 -9.975 0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.123 -12.911 0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.860 -13.124 -3.757 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.990 -13.988 -2.263 1.00 0.00 H new ATOM 384 N TRP A 24 7.690 -9.300 -0.589 1.00 0.00 N ATOM 385 CA TRP A 24 8.449 -8.593 -1.612 1.00 0.00 C ATOM 386 C TRP A 24 9.842 -8.197 -1.120 1.00 0.00 C ATOM 387 O TRP A 24 10.678 -7.765 -1.914 1.00 0.00 O ATOM 388 CB TRP A 24 7.680 -7.355 -2.072 1.00 0.00 C ATOM 389 CG TRP A 24 6.384 -7.679 -2.749 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.225 -8.081 -2.150 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.115 -7.631 -4.155 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.250 -8.284 -3.098 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.772 -8.015 -4.336 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.877 -7.301 -5.279 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.178 -8.076 -5.594 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.286 -7.362 -6.527 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.948 -7.746 -6.675 1.00 0.00 C ATOM 0 H TRP A 24 7.124 -8.702 0.013 1.00 0.00 H new ATOM 0 HA TRP A 24 8.581 -9.273 -2.454 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.482 -6.718 -1.210 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.305 -6.781 -2.756 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.093 -8.219 -1.087 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.294 -8.586 -2.910 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.910 -7.003 -5.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.146 -8.373 -5.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.866 -7.109 -7.402 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.515 -7.782 -7.664 1.00 0.00 H new ATOM 408 N GLY A 25 10.098 -8.340 0.184 1.00 0.00 N ATOM 409 CA GLY A 25 11.402 -7.986 0.715 1.00 0.00 C ATOM 410 C GLY A 25 12.493 -8.940 0.269 1.00 0.00 C ATOM 411 O GLY A 25 13.109 -9.615 1.092 1.00 0.00 O ATOM 0 H GLY A 25 9.431 -8.691 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.657 -6.975 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.356 -7.976 1.804 1.00 0.00 H new ATOM 415 N HIS A 26 12.732 -8.996 -1.036 1.00 0.00 N ATOM 416 CA HIS A 26 13.756 -9.874 -1.586 1.00 0.00 C ATOM 417 C HIS A 26 14.926 -9.062 -2.130 1.00 0.00 C ATOM 418 O HIS A 26 16.069 -9.518 -2.122 1.00 0.00 O ATOM 419 CB HIS A 26 13.167 -10.752 -2.693 1.00 0.00 C ATOM 420 CG HIS A 26 12.967 -12.178 -2.281 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.704 -12.557 -0.981 1.00 0.00 N ATOM 422 CD2 HIS A 26 12.993 -13.322 -3.006 1.00 0.00 C ATOM 423 CE1 HIS A 26 12.578 -13.871 -0.924 1.00 0.00 C ATOM 424 NE2 HIS A 26 12.749 -14.359 -2.139 1.00 0.00 N ATOM 0 H HIS A 26 12.231 -8.444 -1.732 1.00 0.00 H new ATOM 0 HA HIS A 26 14.122 -10.515 -0.784 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.210 -10.335 -3.006 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.827 -10.722 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.172 -13.403 -4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.370 -14.448 -0.035 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.707 -15.346 -2.393 1.00 0.00 H new ATOM 433 N LYS A 27 14.632 -7.855 -2.605 1.00 0.00 N ATOM 434 CA LYS A 27 15.666 -6.981 -3.155 1.00 0.00 C ATOM 435 C LYS A 27 15.316 -5.511 -2.916 1.00 0.00 C ATOM 436 O LYS A 27 15.822 -4.622 -3.600 1.00 0.00 O ATOM 437 CB LYS A 27 15.832 -7.259 -4.658 1.00 0.00 C ATOM 438 CG LYS A 27 16.782 -6.312 -5.385 1.00 0.00 C ATOM 439 CD LYS A 27 16.023 -5.309 -6.238 1.00 0.00 C ATOM 440 CE LYS A 27 15.738 -5.856 -7.628 1.00 0.00 C ATOM 441 NZ LYS A 27 16.446 -5.081 -8.685 1.00 0.00 N ATOM 0 H LYS A 27 13.692 -7.460 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 27 16.609 -7.188 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.191 -8.280 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.853 -7.204 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.396 -5.781 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.460 -6.888 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.084 -5.052 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.602 -4.389 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.044 -6.901 -7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.665 -5.830 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.226 -5.485 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.135 -4.089 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.472 -5.127 -8.521 1.00 0.00 H new ATOM 455 N PHE A 28 14.448 -5.257 -1.940 1.00 0.00 N ATOM 456 CA PHE A 28 14.045 -3.895 -1.626 1.00 0.00 C ATOM 457 C PHE A 28 13.932 -3.692 -0.123 1.00 0.00 C ATOM 458 O PHE A 28 13.722 -4.643 0.631 1.00 0.00 O ATOM 459 CB PHE A 28 12.717 -3.565 -2.307 1.00 0.00 C ATOM 460 CG PHE A 28 12.859 -3.284 -3.774 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.256 -2.033 -4.217 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.598 -4.271 -4.711 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.390 -1.771 -5.568 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.728 -4.015 -6.062 1.00 0.00 C ATOM 465 CZ PHE A 28 13.125 -2.764 -6.492 1.00 0.00 C ATOM 0 H PHE A 28 14.014 -5.974 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 28 14.812 -3.219 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.028 -4.398 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.271 -2.698 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.463 -1.253 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.289 -5.252 -4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.701 -0.792 -5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.519 -4.793 -6.782 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.228 -2.562 -7.548 1.00 0.00 H new ATOM 475 N GLU A 29 14.073 -2.445 0.306 1.00 0.00 N ATOM 476 CA GLU A 29 13.988 -2.115 1.723 1.00 0.00 C ATOM 477 C GLU A 29 12.538 -2.111 2.189 1.00 0.00 C ATOM 478 O GLU A 29 11.775 -1.199 1.868 1.00 0.00 O ATOM 479 CB GLU A 29 14.627 -0.753 1.994 1.00 0.00 C ATOM 480 CG GLU A 29 14.227 0.315 0.994 1.00 0.00 C ATOM 481 CD GLU A 29 15.328 0.626 -0.001 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.500 -0.157 -0.960 1.00 0.00 O ATOM 483 OE2 GLU A 29 16.019 1.650 0.178 1.00 0.00 O ATOM 0 H GLU A 29 14.246 -1.647 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 29 14.531 -2.877 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.350 -0.424 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.712 -0.861 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.338 -0.012 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.958 1.226 1.529 1.00 0.00 H new ATOM 490 N VAL A 30 12.161 -3.138 2.942 1.00 0.00 N ATOM 491 CA VAL A 30 10.798 -3.252 3.446 1.00 0.00 C ATOM 492 C VAL A 30 10.764 -3.216 4.972 1.00 0.00 C ATOM 493 O VAL A 30 11.266 -4.126 5.634 1.00 0.00 O ATOM 494 CB VAL A 30 10.112 -4.554 2.964 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.243 -4.303 1.742 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.139 -5.637 2.669 1.00 0.00 C ATOM 0 H VAL A 30 12.779 -3.902 3.216 1.00 0.00 H new ATOM 0 HA VAL A 30 10.253 -2.395 3.049 1.00 0.00 H new ATOM 0 HB VAL A 30 9.468 -4.900 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.776 -5.237 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.470 -3.576 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.859 -3.916 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.629 -6.540 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.818 -5.292 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.706 -5.856 3.573 1.00 0.00 H new ATOM 506 N GLU A 31 10.157 -2.169 5.527 1.00 0.00 N ATOM 507 CA GLU A 31 10.045 -2.029 6.972 1.00 0.00 C ATOM 508 C GLU A 31 8.726 -2.620 7.459 1.00 0.00 C ATOM 509 O GLU A 31 7.689 -2.455 6.816 1.00 0.00 O ATOM 510 CB GLU A 31 10.150 -0.556 7.377 1.00 0.00 C ATOM 511 CG GLU A 31 11.428 -0.222 8.128 1.00 0.00 C ATOM 512 CD GLU A 31 12.179 0.944 7.516 1.00 0.00 C ATOM 513 OE1 GLU A 31 12.985 0.711 6.592 1.00 0.00 O ATOM 514 OE2 GLU A 31 11.960 2.090 7.961 1.00 0.00 O ATOM 0 H GLU A 31 9.736 -1.407 4.996 1.00 0.00 H new ATOM 0 HA GLU A 31 10.865 -2.575 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.092 0.063 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.294 -0.297 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.185 0.012 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.076 -1.099 8.142 1.00 0.00 H new ATOM 521 N LEU A 32 8.771 -3.309 8.592 1.00 0.00 N ATOM 522 CA LEU A 32 7.569 -3.927 9.156 1.00 0.00 C ATOM 523 C LEU A 32 7.304 -3.424 10.568 1.00 0.00 C ATOM 524 O LEU A 32 8.004 -3.786 11.514 1.00 0.00 O ATOM 525 CB LEU A 32 7.698 -5.464 9.154 1.00 0.00 C ATOM 526 CG LEU A 32 6.404 -6.273 9.372 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.741 -7.692 9.814 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.494 -5.611 10.402 1.00 0.00 C ATOM 0 H LEU A 32 9.619 -3.456 9.139 1.00 0.00 H new ATOM 0 HA LEU A 32 6.723 -3.644 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.131 -5.767 8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.409 -5.746 9.931 1.00 0.00 H new ATOM 0 HG LEU A 32 5.869 -6.305 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.820 -8.254 9.965 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.342 -8.179 9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.303 -7.659 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.592 -6.210 10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.017 -5.536 11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.221 -4.613 10.059 1.00 0.00 H new ATOM 540 N THR A 33 6.266 -2.608 10.702 1.00 0.00 N ATOM 541 CA THR A 33 5.870 -2.072 11.997 1.00 0.00 C ATOM 542 C THR A 33 4.390 -2.351 12.210 1.00 0.00 C ATOM 543 O THR A 33 3.682 -2.702 11.265 1.00 0.00 O ATOM 544 CB THR A 33 6.139 -0.567 12.059 1.00 0.00 C ATOM 545 OG1 THR A 33 6.117 0.000 10.761 1.00 0.00 O ATOM 546 CG2 THR A 33 7.471 -0.223 12.689 1.00 0.00 C ATOM 0 H THR A 33 5.681 -2.302 9.925 1.00 0.00 H new ATOM 0 HA THR A 33 6.453 -2.552 12.783 1.00 0.00 H new ATOM 0 HB THR A 33 5.345 -0.156 12.682 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.289 0.963 10.822 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.599 0.859 12.702 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.500 -0.604 13.710 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.275 -0.676 12.110 1.00 0.00 H new ATOM 554 N PRO A 34 3.889 -2.198 13.439 1.00 0.00 N ATOM 555 CA PRO A 34 2.481 -2.438 13.732 1.00 0.00 C ATOM 556 C PRO A 34 1.611 -1.271 13.304 1.00 0.00 C ATOM 557 O PRO A 34 0.823 -0.743 14.089 1.00 0.00 O ATOM 558 CB PRO A 34 2.466 -2.600 15.242 1.00 0.00 C ATOM 559 CG PRO A 34 3.607 -1.771 15.728 1.00 0.00 C ATOM 560 CD PRO A 34 4.642 -1.775 14.630 1.00 0.00 C ATOM 0 HA PRO A 34 2.082 -3.301 13.199 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.521 -2.260 15.667 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.586 -3.645 15.529 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.281 -0.755 15.949 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.019 -2.181 16.650 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.084 -0.788 14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.458 -2.462 14.852 1.00 0.00 H new ATOM 568 N GLU A 35 1.770 -0.871 12.051 1.00 0.00 N ATOM 569 CA GLU A 35 1.017 0.243 11.502 1.00 0.00 C ATOM 570 C GLU A 35 0.989 0.213 9.971 1.00 0.00 C ATOM 571 O GLU A 35 -0.040 0.514 9.366 1.00 0.00 O ATOM 572 CB GLU A 35 1.613 1.570 11.987 1.00 0.00 C ATOM 573 CG GLU A 35 1.553 1.748 13.494 1.00 0.00 C ATOM 574 CD GLU A 35 1.833 3.175 13.924 1.00 0.00 C ATOM 575 OE1 GLU A 35 3.008 3.595 13.859 1.00 0.00 O ATOM 576 OE2 GLU A 35 0.878 3.872 14.327 1.00 0.00 O ATOM 0 H GLU A 35 2.418 -1.305 11.394 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.010 0.152 11.855 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.652 1.632 11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.081 2.393 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.567 1.451 13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.277 1.082 13.964 1.00 0.00 H new ATOM 583 N ARG A 36 2.114 -0.134 9.339 1.00 0.00 N ATOM 584 CA ARG A 36 2.166 -0.172 7.884 1.00 0.00 C ATOM 585 C ARG A 36 3.444 -0.809 7.357 1.00 0.00 C ATOM 586 O ARG A 36 4.407 -1.025 8.093 1.00 0.00 O ATOM 587 CB ARG A 36 2.045 1.243 7.316 1.00 0.00 C ATOM 588 CG ARG A 36 3.072 2.210 7.886 1.00 0.00 C ATOM 589 CD ARG A 36 2.621 3.655 7.752 1.00 0.00 C ATOM 590 NE ARG A 36 3.748 4.585 7.785 1.00 0.00 N ATOM 591 CZ ARG A 36 3.639 5.872 8.108 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.456 6.390 8.416 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.717 6.645 8.119 1.00 0.00 N ATOM 0 H ARG A 36 2.984 -0.388 9.807 1.00 0.00 H new ATOM 0 HA ARG A 36 1.328 -0.788 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.156 1.203 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.045 1.625 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.245 1.979 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.023 2.077 7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.075 3.779 6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.929 3.895 8.559 1.00 0.00 H new ATOM 0 HE ARG A 36 4.673 4.227 7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.623 5.801 8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.380 7.377 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.628 6.253 7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.635 7.631 8.366 1.00 0.00 H new ATOM 607 N GLY A 37 3.440 -1.070 6.054 1.00 0.00 N ATOM 608 CA GLY A 37 4.595 -1.641 5.388 1.00 0.00 C ATOM 609 C GLY A 37 5.270 -0.596 4.499 1.00 0.00 C ATOM 610 O GLY A 37 4.649 -0.098 3.559 1.00 0.00 O ATOM 0 H GLY A 37 2.645 -0.893 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.304 -2.010 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.289 -2.497 4.786 1.00 0.00 H new ATOM 614 N PHE A 38 6.522 -0.241 4.793 1.00 0.00 N ATOM 615 CA PHE A 38 7.238 0.766 4.013 1.00 0.00 C ATOM 616 C PHE A 38 8.176 0.100 3.018 1.00 0.00 C ATOM 617 O PHE A 38 9.045 -0.683 3.396 1.00 0.00 O ATOM 618 CB PHE A 38 8.021 1.667 4.972 1.00 0.00 C ATOM 619 CG PHE A 38 8.818 2.768 4.321 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.185 3.836 3.697 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.205 2.757 4.372 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.920 4.862 3.138 1.00 0.00 C ATOM 623 CE2 PHE A 38 10.942 3.779 3.807 1.00 0.00 C ATOM 624 CZ PHE A 38 10.300 4.833 3.190 1.00 0.00 C ATOM 0 H PHE A 38 7.059 -0.636 5.565 1.00 0.00 H new ATOM 0 HA PHE A 38 6.526 1.367 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.320 2.117 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.701 1.045 5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.106 3.864 3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.714 1.939 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.416 5.688 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.021 3.753 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.875 5.634 2.749 1.00 0.00 H new ATOM 634 N ILE A 39 7.992 0.422 1.746 1.00 0.00 N ATOM 635 CA ILE A 39 8.824 -0.142 0.684 1.00 0.00 C ATOM 636 C ILE A 39 9.252 0.960 -0.280 1.00 0.00 C ATOM 637 O ILE A 39 8.455 1.408 -1.104 1.00 0.00 O ATOM 638 CB ILE A 39 8.085 -1.243 -0.124 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.130 -2.058 0.775 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.103 -2.153 -0.811 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.707 -3.397 0.197 1.00 0.00 C ATOM 0 H ILE A 39 7.275 1.070 1.420 1.00 0.00 H new ATOM 0 HA ILE A 39 9.690 -0.594 1.167 1.00 0.00 H new ATOM 0 HB ILE A 39 7.474 -0.760 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.614 -2.229 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.238 -1.463 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.579 -2.924 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.720 -1.563 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.737 -2.623 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.038 -3.900 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.191 -3.238 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.589 -4.016 0.030 1.00 0.00 H new ATOM 704 N SER A 44 10.983 7.008 -5.230 1.00 0.00 N ATOM 705 CA SER A 44 9.581 6.606 -5.166 1.00 0.00 C ATOM 706 C SER A 44 9.379 5.705 -3.942 1.00 0.00 C ATOM 707 O SER A 44 10.350 5.152 -3.425 1.00 0.00 O ATOM 708 CB SER A 44 9.193 5.877 -6.458 1.00 0.00 C ATOM 709 OG SER A 44 10.315 5.230 -7.032 1.00 0.00 O ATOM 0 HA SER A 44 8.941 7.483 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.415 5.144 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.775 6.589 -7.170 1.00 0.00 H new ATOM 0 HG SER A 44 11.137 5.670 -6.729 1.00 0.00 H new ATOM 715 N ASN A 45 8.141 5.563 -3.458 1.00 0.00 N ATOM 716 CA ASN A 45 7.895 4.734 -2.280 1.00 0.00 C ATOM 717 C ASN A 45 6.470 4.192 -2.292 1.00 0.00 C ATOM 718 O ASN A 45 5.634 4.646 -3.072 1.00 0.00 O ATOM 719 CB ASN A 45 8.136 5.542 -0.993 1.00 0.00 C ATOM 720 CG ASN A 45 9.330 6.477 -1.087 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.199 7.536 -1.878 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 10.359 6.252 -0.451 1.00 0.00 N flip ATOM 0 H ASN A 45 7.311 6.002 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 45 8.590 3.894 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.244 6.125 -0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.287 4.853 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.420 5.427 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.151 6.890 -0.521 1.00 0.00 H new ATOM 729 N CYS A 46 6.193 3.222 -1.423 1.00 0.00 N ATOM 730 CA CYS A 46 4.865 2.633 -1.348 1.00 0.00 C ATOM 731 C CYS A 46 4.569 2.160 0.072 1.00 0.00 C ATOM 732 O CYS A 46 5.055 1.114 0.502 1.00 0.00 O ATOM 733 CB CYS A 46 4.736 1.460 -2.328 1.00 0.00 C ATOM 734 SG CYS A 46 6.302 0.851 -3.003 1.00 0.00 S ATOM 0 H CYS A 46 6.868 2.832 -0.766 1.00 0.00 H new ATOM 0 HA CYS A 46 4.139 3.399 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.231 0.637 -1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.096 1.766 -3.155 1.00 0.00 H new ATOM 0 HG CYS A 46 7.252 1.041 -2.136 1.00 0.00 H new ATOM 740 N GLU A 47 3.771 2.936 0.795 1.00 0.00 N ATOM 741 CA GLU A 47 3.407 2.601 2.165 1.00 0.00 C ATOM 742 C GLU A 47 1.999 2.008 2.202 1.00 0.00 C ATOM 743 O GLU A 47 1.182 2.285 1.324 1.00 0.00 O ATOM 744 CB GLU A 47 3.494 3.861 3.040 1.00 0.00 C ATOM 745 CG GLU A 47 3.907 3.623 4.490 1.00 0.00 C ATOM 746 CD GLU A 47 4.651 4.806 5.077 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.337 5.953 4.697 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.548 4.585 5.918 1.00 0.00 O ATOM 0 H GLU A 47 3.362 3.806 0.453 1.00 0.00 H new ATOM 0 HA GLU A 47 4.099 1.855 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.206 4.550 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.523 4.356 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.020 3.421 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.538 2.736 4.545 1.00 0.00 H new ATOM 755 N LEU A 48 1.719 1.188 3.211 1.00 0.00 N ATOM 756 CA LEU A 48 0.401 0.562 3.332 1.00 0.00 C ATOM 757 C LEU A 48 -0.014 0.453 4.795 1.00 0.00 C ATOM 758 O LEU A 48 0.622 -0.250 5.577 1.00 0.00 O ATOM 759 CB LEU A 48 0.399 -0.827 2.659 1.00 0.00 C ATOM 760 CG LEU A 48 -0.906 -1.634 2.777 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.127 -0.740 2.623 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.938 -2.756 1.747 1.00 0.00 C ATOM 0 H LEU A 48 2.377 0.942 3.950 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.326 1.193 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.627 -0.696 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.208 -1.418 3.089 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.934 -2.073 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.032 -1.341 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.120 0.022 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.105 -0.259 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.868 -3.315 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.875 -2.332 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.093 -3.425 1.912 1.00 0.00 H new ATOM 774 N LEU A 49 -1.098 1.142 5.151 1.00 0.00 N ATOM 775 CA LEU A 49 -1.607 1.107 6.525 1.00 0.00 C ATOM 776 C LEU A 49 -2.619 -0.012 6.649 1.00 0.00 C ATOM 777 O LEU A 49 -3.492 -0.153 5.797 1.00 0.00 O ATOM 778 CB LEU A 49 -2.248 2.440 6.921 1.00 0.00 C ATOM 779 CG LEU A 49 -2.336 2.694 8.431 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.338 3.764 8.858 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.751 3.098 8.821 1.00 0.00 C ATOM 0 H LEU A 49 -1.638 1.727 4.514 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.770 0.931 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.679 3.250 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.253 2.481 6.502 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.085 1.768 8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.418 3.928 9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.327 3.436 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.554 4.694 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.796 3.274 9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.028 4.010 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.444 2.299 8.555 1.00 0.00 H new ATOM 793 N ALA A 50 -2.489 -0.827 7.684 1.00 0.00 N ATOM 794 CA ALA A 50 -3.398 -1.946 7.850 1.00 0.00 C ATOM 795 C ALA A 50 -3.746 -2.226 9.303 1.00 0.00 C ATOM 796 O ALA A 50 -2.904 -2.657 10.091 1.00 0.00 O ATOM 797 CB ALA A 50 -2.801 -3.177 7.196 1.00 0.00 C ATOM 0 H ALA A 50 -1.777 -0.737 8.408 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.336 -1.679 7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.481 -4.020 7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.647 -2.986 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.845 -3.411 7.665 1.00 0.00 H new ATOM 803 N HIS A 51 -5.016 -2.009 9.634 1.00 0.00 N ATOM 804 CA HIS A 51 -5.523 -2.263 10.961 1.00 0.00 C ATOM 805 C HIS A 51 -6.513 -3.432 10.896 1.00 0.00 C ATOM 806 O HIS A 51 -6.964 -3.816 9.818 1.00 0.00 O ATOM 807 CB HIS A 51 -6.173 -0.996 11.541 1.00 0.00 C ATOM 808 CG HIS A 51 -5.792 -0.729 12.967 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.681 -0.248 13.906 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.610 -0.883 13.618 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.064 -0.116 15.067 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.809 -0.495 14.920 1.00 0.00 N ATOM 0 H HIS A 51 -5.715 -1.652 8.983 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.705 -2.534 11.628 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.889 -0.139 10.930 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.257 -1.090 11.474 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.686 -1.243 13.191 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.512 0.242 15.982 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.101 -0.499 15.654 1.00 0.00 H new ATOM 821 N PRO A 52 -6.842 -4.029 12.044 1.00 0.00 N ATOM 822 CA PRO A 52 -7.751 -5.181 12.130 1.00 0.00 C ATOM 823 C PRO A 52 -9.032 -5.047 11.307 1.00 0.00 C ATOM 824 O PRO A 52 -9.685 -6.051 11.024 1.00 0.00 O ATOM 825 CB PRO A 52 -8.074 -5.244 13.620 1.00 0.00 C ATOM 826 CG PRO A 52 -6.850 -4.712 14.276 1.00 0.00 C ATOM 827 CD PRO A 52 -6.330 -3.638 13.359 1.00 0.00 C ATOM 0 HA PRO A 52 -7.285 -6.077 11.720 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.951 -4.644 13.864 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.287 -6.264 13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.079 -4.308 15.262 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.109 -5.498 14.418 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.690 -2.652 13.652 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.241 -3.596 13.369 1.00 0.00 H new ATOM 835 N ASP A 53 -9.414 -3.827 10.930 1.00 0.00 N ATOM 836 CA ASP A 53 -10.641 -3.653 10.154 1.00 0.00 C ATOM 837 C ASP A 53 -10.543 -2.572 9.080 1.00 0.00 C ATOM 838 O ASP A 53 -11.502 -2.363 8.338 1.00 0.00 O ATOM 839 CB ASP A 53 -11.822 -3.354 11.083 1.00 0.00 C ATOM 840 CG ASP A 53 -11.832 -4.241 12.314 1.00 0.00 C ATOM 841 OD1 ASP A 53 -11.159 -3.889 13.305 1.00 0.00 O ATOM 842 OD2 ASP A 53 -12.515 -5.287 12.286 1.00 0.00 O ATOM 0 H ASP A 53 -8.908 -2.967 11.142 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.800 -4.597 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.782 -2.310 11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.754 -3.488 10.535 1.00 0.00 H new ATOM 847 N HIS A 54 -9.400 -1.906 8.954 1.00 0.00 N ATOM 848 CA HIS A 54 -9.264 -0.896 7.909 1.00 0.00 C ATOM 849 C HIS A 54 -7.856 -0.886 7.316 1.00 0.00 C ATOM 850 O HIS A 54 -6.902 -1.325 7.956 1.00 0.00 O ATOM 851 CB HIS A 54 -9.646 0.498 8.415 1.00 0.00 C ATOM 852 CG HIS A 54 -8.859 0.965 9.598 1.00 0.00 C ATOM 853 ND1 HIS A 54 -9.283 0.796 10.899 1.00 0.00 N ATOM 854 CD2 HIS A 54 -7.677 1.620 9.670 1.00 0.00 C ATOM 855 CE1 HIS A 54 -8.396 1.329 11.720 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.411 1.834 11.000 1.00 0.00 N ATOM 0 H HIS A 54 -8.577 -2.040 9.542 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.961 -1.167 7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.517 1.214 7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.704 0.499 8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.058 1.919 8.837 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.465 1.348 12.798 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.587 2.306 11.371 1.00 0.00 H new ATOM 865 N VAL A 55 -7.733 -0.390 6.082 1.00 0.00 N ATOM 866 CA VAL A 55 -6.448 -0.336 5.409 1.00 0.00 C ATOM 867 C VAL A 55 -6.296 0.972 4.638 1.00 0.00 C ATOM 868 O VAL A 55 -7.230 1.436 3.985 1.00 0.00 O ATOM 869 CB VAL A 55 -6.269 -1.543 4.456 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.818 -1.254 3.063 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.810 -1.967 4.382 1.00 0.00 C ATOM 0 H VAL A 55 -8.512 -0.022 5.535 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.671 -0.383 6.172 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.847 -2.369 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.672 -2.127 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.882 -1.028 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.293 -0.400 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.712 -2.816 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.208 -1.137 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.463 -2.252 5.375 1.00 0.00 H new ATOM 881 N LEU A 56 -5.111 1.556 4.717 1.00 0.00 N ATOM 882 CA LEU A 56 -4.824 2.809 4.025 1.00 0.00 C ATOM 883 C LEU A 56 -3.670 2.610 3.053 1.00 0.00 C ATOM 884 O LEU A 56 -2.756 1.830 3.313 1.00 0.00 O ATOM 885 CB LEU A 56 -4.479 3.921 5.034 1.00 0.00 C ATOM 886 CG LEU A 56 -5.478 5.082 5.142 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.055 6.035 6.251 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.597 5.834 3.821 1.00 0.00 C ATOM 0 H LEU A 56 -4.328 1.183 5.254 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.712 3.111 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.375 3.467 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.505 4.332 4.769 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.456 4.664 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.770 6.855 6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.026 5.499 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.065 6.435 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.312 6.650 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.624 6.239 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.941 5.152 3.044 1.00 0.00 H new ATOM 900 N MET A 57 -3.719 3.309 1.930 1.00 0.00 N ATOM 901 CA MET A 57 -2.674 3.189 0.923 1.00 0.00 C ATOM 902 C MET A 57 -2.110 4.559 0.553 1.00 0.00 C ATOM 903 O MET A 57 -2.811 5.389 -0.023 1.00 0.00 O ATOM 904 CB MET A 57 -3.235 2.470 -0.307 1.00 0.00 C ATOM 905 CG MET A 57 -4.166 1.320 0.062 1.00 0.00 C ATOM 906 SD MET A 57 -4.853 0.456 -1.372 1.00 0.00 S ATOM 907 CE MET A 57 -4.220 1.426 -2.740 1.00 0.00 C ATOM 0 H MET A 57 -4.466 3.962 1.693 1.00 0.00 H new ATOM 0 HA MET A 57 -1.851 2.602 1.331 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.775 3.186 -0.927 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.410 2.087 -0.907 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.621 0.606 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.984 1.707 0.669 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.433 0.914 -3.678 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.699 2.405 -2.744 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.143 1.549 -2.631 1.00 0.00 H new ATOM 917 N ILE A 58 -0.837 4.790 0.888 1.00 0.00 N ATOM 918 CA ILE A 58 -0.187 6.053 0.591 1.00 0.00 C ATOM 919 C ILE A 58 1.088 5.823 -0.206 1.00 0.00 C ATOM 920 O ILE A 58 1.858 4.910 0.090 1.00 0.00 O ATOM 921 CB ILE A 58 0.174 6.825 1.879 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.056 6.972 2.792 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.767 8.181 1.524 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.367 8.402 3.200 1.00 0.00 C ATOM 0 H ILE A 58 -0.242 4.113 1.365 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.894 6.644 0.008 1.00 0.00 H new ATOM 0 HB ILE A 58 0.924 6.258 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.924 6.556 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.899 6.376 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.019 8.719 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.668 8.039 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.040 8.758 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.248 8.414 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.518 8.819 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.559 9.001 2.310 1.00 0.00 H new ATOM 936 N LEU A 59 1.312 6.655 -1.213 1.00 0.00 N ATOM 937 CA LEU A 59 2.504 6.533 -2.038 1.00 0.00 C ATOM 938 C LEU A 59 3.312 7.817 -2.032 1.00 0.00 C ATOM 939 O LEU A 59 2.758 8.911 -2.014 1.00 0.00 O ATOM 940 CB LEU A 59 2.132 6.161 -3.484 1.00 0.00 C ATOM 941 CG LEU A 59 1.650 7.305 -4.391 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.444 7.984 -3.783 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.753 8.320 -4.662 1.00 0.00 C ATOM 0 H LEU A 59 0.688 7.417 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 59 3.115 5.737 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.003 5.701 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.350 5.402 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 59 1.368 6.868 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.114 8.792 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.362 7.259 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.709 8.391 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.369 9.111 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.090 8.752 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.590 7.825 -5.154 1.00 0.00 H new ATOM 955 N ASN A 60 4.627 7.676 -2.096 1.00 0.00 N ATOM 956 CA ASN A 60 5.506 8.832 -2.153 1.00 0.00 C ATOM 957 C ASN A 60 6.334 8.744 -3.426 1.00 0.00 C ATOM 958 O ASN A 60 7.273 7.957 -3.509 1.00 0.00 O ATOM 959 CB ASN A 60 6.414 8.893 -0.923 1.00 0.00 C ATOM 960 CG ASN A 60 5.638 8.784 0.374 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.435 8.523 0.372 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.324 8.988 1.493 1.00 0.00 N ATOM 0 H ASN A 60 5.107 6.776 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 60 4.909 9.744 -2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.145 8.087 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.971 9.830 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.854 8.931 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.320 9.202 1.449 1.00 0.00 H new ATOM 969 N SER A 61 5.965 9.530 -4.429 1.00 0.00 N ATOM 970 CA SER A 61 6.686 9.484 -5.707 1.00 0.00 C ATOM 971 C SER A 61 6.751 10.845 -6.407 1.00 0.00 C ATOM 972 O SER A 61 5.756 11.563 -6.497 1.00 0.00 O ATOM 973 CB SER A 61 6.031 8.470 -6.644 1.00 0.00 C ATOM 974 OG SER A 61 5.223 7.558 -5.928 1.00 0.00 O ATOM 0 H SER A 61 5.191 10.194 -4.392 1.00 0.00 H new ATOM 0 HA SER A 61 7.708 9.185 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.425 8.993 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.801 7.926 -7.190 1.00 0.00 H new ATOM 0 HG SER A 61 5.786 7.016 -5.337 1.00 0.00 H new ATOM 980 N PRO A 62 7.945 11.205 -6.916 1.00 0.00 N ATOM 981 CA PRO A 62 8.185 12.476 -7.622 1.00 0.00 C ATOM 982 C PRO A 62 7.451 12.602 -8.953 1.00 0.00 C ATOM 983 O PRO A 62 7.436 13.679 -9.549 1.00 0.00 O ATOM 984 CB PRO A 62 9.691 12.460 -7.862 1.00 0.00 C ATOM 985 CG PRO A 62 10.063 11.022 -7.851 1.00 0.00 C ATOM 986 CD PRO A 62 9.173 10.397 -6.827 1.00 0.00 C ATOM 0 HA PRO A 62 7.819 13.318 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.945 12.927 -8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.221 13.011 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.915 10.569 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.114 10.889 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.981 9.347 -7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.613 10.440 -5.830 1.00 0.00 H new ATOM 994 N ASP A 63 6.845 11.519 -9.428 1.00 0.00 N ATOM 995 CA ASP A 63 6.128 11.570 -10.695 1.00 0.00 C ATOM 996 C ASP A 63 4.817 10.793 -10.590 1.00 0.00 C ATOM 997 O ASP A 63 4.729 9.821 -9.841 1.00 0.00 O ATOM 998 CB ASP A 63 7.013 11.018 -11.821 1.00 0.00 C ATOM 999 CG ASP A 63 6.227 10.631 -13.062 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.295 11.376 -13.431 1.00 0.00 O ATOM 1001 OD2 ASP A 63 6.544 9.584 -13.663 1.00 0.00 O ATOM 0 H ASP A 63 6.835 10.611 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 63 5.886 12.607 -10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.758 11.767 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.555 10.146 -11.455 1.00 0.00 H new ATOM 1006 N GLU A 64 3.794 11.223 -11.330 1.00 0.00 N ATOM 1007 CA GLU A 64 2.500 10.533 -11.271 1.00 0.00 C ATOM 1008 C GLU A 64 2.626 9.087 -11.754 1.00 0.00 C ATOM 1009 O GLU A 64 2.070 8.185 -11.133 1.00 0.00 O ATOM 1010 CB GLU A 64 1.403 11.268 -12.054 1.00 0.00 C ATOM 1011 CG GLU A 64 0.035 11.053 -11.443 1.00 0.00 C ATOM 1012 CD GLU A 64 -1.057 10.900 -12.484 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -1.024 9.905 -13.237 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -1.946 11.776 -12.545 1.00 0.00 O ATOM 0 H GLU A 64 3.830 12.023 -11.962 1.00 0.00 H new ATOM 0 HA GLU A 64 2.198 10.529 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.627 12.335 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.398 10.920 -13.087 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.059 10.163 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.204 11.895 -10.794 1.00 0.00 H new ATOM 1021 N ASP A 65 3.371 8.848 -12.843 1.00 0.00 N ATOM 1022 CA ASP A 65 3.556 7.484 -13.336 1.00 0.00 C ATOM 1023 C ASP A 65 3.973 6.596 -12.174 1.00 0.00 C ATOM 1024 O ASP A 65 3.320 5.600 -11.863 1.00 0.00 O ATOM 1025 CB ASP A 65 4.633 7.455 -14.414 1.00 0.00 C ATOM 1026 CG ASP A 65 4.650 6.150 -15.185 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.259 5.177 -14.693 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.053 6.100 -16.281 1.00 0.00 O ATOM 0 H ASP A 65 3.845 9.569 -13.387 1.00 0.00 H new ATOM 0 HA ASP A 65 2.622 7.123 -13.767 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.471 8.280 -15.107 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.608 7.613 -13.953 1.00 0.00 H new ATOM 1033 N SER A 66 5.040 7.014 -11.500 1.00 0.00 N ATOM 1034 CA SER A 66 5.528 6.312 -10.321 1.00 0.00 C ATOM 1035 C SER A 66 4.421 6.301 -9.276 1.00 0.00 C ATOM 1036 O SER A 66 3.979 5.252 -8.811 1.00 0.00 O ATOM 1037 CB SER A 66 6.764 7.018 -9.762 1.00 0.00 C ATOM 1038 OG SER A 66 7.896 6.797 -10.586 1.00 0.00 O ATOM 0 H SER A 66 5.584 7.839 -11.753 1.00 0.00 H new ATOM 0 HA SER A 66 5.805 5.291 -10.585 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.571 8.088 -9.684 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.968 6.656 -8.754 1.00 0.00 H new ATOM 0 HG SER A 66 8.672 7.260 -10.207 1.00 0.00 H new ATOM 1044 N LEU A 67 3.974 7.505 -8.948 1.00 0.00 N ATOM 1045 CA LEU A 67 2.900 7.737 -7.987 1.00 0.00 C ATOM 1046 C LEU A 67 1.776 6.714 -8.139 1.00 0.00 C ATOM 1047 O LEU A 67 1.478 5.970 -7.206 1.00 0.00 O ATOM 1048 CB LEU A 67 2.388 9.178 -8.193 1.00 0.00 C ATOM 1049 CG LEU A 67 1.042 9.562 -7.569 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.814 11.056 -7.714 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.118 8.805 -8.200 1.00 0.00 C ATOM 0 H LEU A 67 4.352 8.364 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 67 3.278 7.617 -6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.143 9.859 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.322 9.358 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 67 1.081 9.290 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.144 11.323 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.613 11.597 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.810 11.322 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.051 9.109 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.162 9.029 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.028 7.734 -8.060 1.00 0.00 H new ATOM 1063 N ALA A 68 1.154 6.671 -9.308 1.00 0.00 N ATOM 1064 CA ALA A 68 0.070 5.730 -9.545 1.00 0.00 C ATOM 1065 C ALA A 68 0.591 4.301 -9.508 1.00 0.00 C ATOM 1066 O ALA A 68 -0.088 3.393 -9.031 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.606 6.020 -10.877 1.00 0.00 C ATOM 0 H ALA A 68 1.379 7.272 -10.101 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.670 5.847 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.414 5.307 -11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.012 7.032 -10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.123 5.930 -11.682 1.00 0.00 H new ATOM 1073 N HIS A 69 1.812 4.109 -10.002 1.00 0.00 N ATOM 1074 CA HIS A 69 2.432 2.790 -10.009 1.00 0.00 C ATOM 1075 C HIS A 69 2.434 2.205 -8.602 1.00 0.00 C ATOM 1076 O HIS A 69 2.231 1.007 -8.411 1.00 0.00 O ATOM 1077 CB HIS A 69 3.863 2.874 -10.543 1.00 0.00 C ATOM 1078 CG HIS A 69 4.451 1.542 -10.893 1.00 0.00 C ATOM 1079 ND1 HIS A 69 5.711 1.394 -11.435 1.00 0.00 N ATOM 1080 CD2 HIS A 69 3.946 0.292 -10.775 1.00 0.00 C ATOM 1081 CE1 HIS A 69 5.954 0.112 -11.636 1.00 0.00 C ATOM 1082 NE2 HIS A 69 4.899 -0.578 -11.244 1.00 0.00 N ATOM 0 H HIS A 69 2.389 4.849 -10.401 1.00 0.00 H new ATOM 0 HA HIS A 69 1.854 2.138 -10.664 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.875 3.511 -11.427 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.493 3.355 -9.795 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.974 0.028 -10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.861 -0.302 -12.051 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.807 -1.593 -11.283 1.00 0.00 H new ATOM 1091 N MET A 70 2.666 3.071 -7.621 1.00 0.00 N ATOM 1092 CA MET A 70 2.701 2.661 -6.218 1.00 0.00 C ATOM 1093 C MET A 70 1.283 2.516 -5.646 1.00 0.00 C ATOM 1094 O MET A 70 0.920 1.446 -5.155 1.00 0.00 O ATOM 1095 CB MET A 70 3.506 3.677 -5.392 1.00 0.00 C ATOM 1096 CG MET A 70 4.740 4.211 -6.098 1.00 0.00 C ATOM 1097 SD MET A 70 6.245 3.341 -5.619 1.00 0.00 S ATOM 1098 CE MET A 70 6.191 1.936 -6.730 1.00 0.00 C ATOM 0 H MET A 70 2.834 4.066 -7.771 1.00 0.00 H new ATOM 0 HA MET A 70 3.188 1.687 -6.161 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.858 4.514 -5.134 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.810 3.209 -4.456 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.603 4.125 -7.176 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.851 5.272 -5.874 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.249 1.013 -6.153 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.258 1.953 -7.293 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.033 1.986 -7.421 1.00 0.00 H new ATOM 1108 N GLN A 71 0.481 3.589 -5.697 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.883 3.537 -5.166 1.00 0.00 C ATOM 1110 C GLN A 71 -1.690 2.395 -5.785 1.00 0.00 C ATOM 1111 O GLN A 71 -2.614 1.875 -5.158 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.635 4.868 -5.348 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.352 5.603 -6.642 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.623 5.952 -7.396 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.875 7.244 -7.564 1.00 0.00 O flip ATOM 1116 NE2 GLN A 71 -3.368 5.070 -7.822 1.00 0.00 N flip ATOM 0 H GLN A 71 0.750 4.489 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.781 3.352 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.706 4.672 -5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.384 5.524 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.798 6.517 -6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.714 4.987 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.135 4.089 -7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.218 5.320 -8.327 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.344 2.003 -7.008 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.052 0.918 -7.682 1.00 0.00 C ATOM 1127 C ASN A 72 -1.532 -0.442 -7.225 1.00 0.00 C ATOM 1128 O ASN A 72 -2.314 -1.350 -6.946 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.920 1.045 -9.201 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.126 0.489 -9.934 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.068 -0.592 -10.518 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -4.228 1.230 -9.905 1.00 0.00 N ATOM 0 H ASN A 72 -0.584 2.416 -7.549 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.106 0.993 -7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.789 2.094 -9.465 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.024 0.519 -9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.072 0.908 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.231 2.121 -9.408 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.208 -0.575 -7.144 1.00 0.00 N ATOM 1140 CA VAL A 73 0.418 -1.822 -6.712 1.00 0.00 C ATOM 1141 C VAL A 73 -0.299 -2.390 -5.488 1.00 0.00 C ATOM 1142 O VAL A 73 -0.545 -3.593 -5.403 1.00 0.00 O ATOM 1143 CB VAL A 73 1.918 -1.605 -6.393 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.461 -2.691 -5.474 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.727 -1.546 -7.680 1.00 0.00 C ATOM 0 H VAL A 73 0.452 0.168 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 73 0.337 -2.538 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 73 2.012 -0.654 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.516 -2.504 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.906 -2.684 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.350 -3.663 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.780 -1.393 -7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.611 -2.482 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.371 -0.720 -8.296 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.640 -1.512 -4.552 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.342 -1.926 -3.340 1.00 0.00 C ATOM 1157 C VAL A 74 -2.770 -2.356 -3.664 1.00 0.00 C ATOM 1158 O VAL A 74 -3.226 -3.403 -3.203 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.376 -0.803 -2.283 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.200 -1.216 -1.069 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.034 -0.410 -1.859 1.00 0.00 C ATOM 0 H VAL A 74 -0.443 -0.513 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.790 -2.770 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.852 0.065 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.206 -0.405 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.222 -1.433 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.762 -2.106 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.018 0.383 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.540 -1.276 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.590 -0.056 -2.727 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.475 -1.556 -4.470 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.844 -1.886 -4.856 1.00 0.00 C ATOM 1173 C ALA A 75 -4.912 -3.325 -5.344 1.00 0.00 C ATOM 1174 O ALA A 75 -5.944 -3.988 -5.235 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.346 -0.935 -5.935 1.00 0.00 C ATOM 0 H ALA A 75 -3.122 -0.684 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.487 -1.777 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.368 -1.200 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.324 0.087 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.706 -1.011 -6.814 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.787 -3.802 -5.869 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.691 -5.167 -6.365 1.00 0.00 C ATOM 1183 C ASP A 76 -3.575 -6.155 -5.206 1.00 0.00 C ATOM 1184 O ASP A 76 -4.184 -7.225 -5.227 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.485 -5.310 -7.294 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.667 -6.420 -8.311 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -2.671 -7.602 -7.907 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.806 -6.107 -9.513 1.00 0.00 O ATOM 0 H ASP A 76 -2.928 -3.260 -5.961 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.599 -5.391 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.317 -4.367 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.593 -5.508 -6.699 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.785 -5.791 -4.197 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.585 -6.651 -3.033 1.00 0.00 C ATOM 1195 C HIS A 77 -3.902 -6.923 -2.302 1.00 0.00 C ATOM 1196 O HIS A 77 -4.160 -8.049 -1.877 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.565 -6.031 -2.072 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.282 -5.634 -2.736 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.005 -5.898 -4.062 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.806 -4.991 -2.249 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.196 -5.434 -4.360 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.708 -4.879 -3.277 1.00 0.00 N ATOM 0 H HIS A 77 -2.274 -4.909 -4.162 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.197 -7.604 -3.393 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.008 -5.153 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.348 -6.744 -1.276 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.939 -4.633 -1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.677 -5.498 -5.325 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.626 -4.438 -3.215 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.736 -5.893 -2.160 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.019 -6.035 -1.484 1.00 0.00 C ATOM 1213 C LEU A 78 -6.975 -6.902 -2.305 1.00 0.00 C ATOM 1214 O LEU A 78 -7.950 -7.435 -1.775 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.653 -4.657 -1.242 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.921 -3.732 -0.256 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.844 -2.611 0.196 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.411 -4.511 0.950 1.00 0.00 C ATOM 0 H LEU A 78 -4.543 -4.953 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.840 -6.521 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.730 -4.143 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.670 -4.808 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.062 -3.301 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.314 -1.963 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.161 -2.030 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.719 -3.036 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.897 -3.832 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.252 -4.975 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.718 -5.284 0.617 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.702 -7.031 -3.600 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.553 -7.822 -4.483 1.00 0.00 C ATOM 1232 C GLN A 79 -7.429 -9.320 -4.210 1.00 0.00 C ATOM 1233 O GLN A 79 -8.411 -9.978 -3.867 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.209 -7.537 -5.946 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.385 -6.080 -6.341 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.517 -5.872 -7.329 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.103 -6.831 -7.832 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.829 -4.613 -7.613 1.00 0.00 N ATOM 0 H GLN A 79 -5.901 -6.599 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.584 -7.530 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.176 -7.833 -6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.838 -8.156 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.575 -5.486 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.456 -5.712 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.317 -3.849 -7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.581 -4.410 -8.272 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.225 -9.859 -4.380 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.992 -11.285 -4.166 1.00 0.00 C ATOM 1249 C ARG A 80 -6.461 -11.736 -2.786 1.00 0.00 C ATOM 1250 O ARG A 80 -6.897 -12.874 -2.616 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.513 -11.634 -4.350 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.557 -10.576 -3.824 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.547 -11.168 -2.853 1.00 0.00 C ATOM 1254 NE ARG A 80 -3.196 -11.870 -1.748 1.00 0.00 N ATOM 1255 CZ ARG A 80 -2.566 -12.715 -0.935 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -1.273 -12.966 -1.100 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -3.230 -13.311 0.046 1.00 0.00 N ATOM 0 H ARG A 80 -5.399 -9.333 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.579 -11.817 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.308 -12.578 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.317 -11.791 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.032 -10.112 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.123 -9.788 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.893 -11.858 -3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.916 -10.373 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.190 -11.703 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.757 -12.510 -1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.795 -13.614 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.224 -13.122 0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.747 -13.958 0.669 1.00 0.00 H new ATOM 1271 N MET A 81 -6.369 -10.848 -1.799 1.00 0.00 N ATOM 1272 CA MET A 81 -6.786 -11.190 -0.443 1.00 0.00 C ATOM 1273 C MET A 81 -8.303 -11.102 -0.278 1.00 0.00 C ATOM 1274 O MET A 81 -8.858 -11.618 0.691 1.00 0.00 O ATOM 1275 CB MET A 81 -6.080 -10.302 0.588 1.00 0.00 C ATOM 1276 CG MET A 81 -6.358 -8.806 0.459 1.00 0.00 C ATOM 1277 SD MET A 81 -8.027 -8.345 0.966 1.00 0.00 S ATOM 1278 CE MET A 81 -7.674 -7.017 2.113 1.00 0.00 C ATOM 0 H MET A 81 -6.014 -9.898 -1.910 1.00 0.00 H new ATOM 0 HA MET A 81 -6.494 -12.225 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.377 -10.625 1.586 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.005 -10.464 0.507 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.637 -8.256 1.064 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.203 -8.503 -0.576 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.096 -7.257 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.595 -6.893 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.116 -6.091 1.745 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.493 -4.946 -5.921 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.239 -4.082 -4.758 1.00 0.00 C ATOM 1351 C LEU A 87 -11.853 -2.701 -4.889 1.00 0.00 C ATOM 1352 O LEU A 87 -11.324 -1.844 -5.597 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.736 -3.907 -4.496 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.225 -4.423 -3.146 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.219 -3.297 -2.125 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.051 -5.595 -2.628 1.00 0.00 C ATOM 0 HA LEU A 87 -11.713 -4.598 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.187 -4.416 -5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.495 -2.847 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.208 -4.783 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.854 -3.674 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.567 -2.495 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.232 -2.913 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.651 -5.926 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.087 -5.282 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.006 -6.416 -3.343 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.930 -2.461 -4.163 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.540 -1.150 -4.180 1.00 0.00 C ATOM 1370 C GLU A 88 -12.612 -0.192 -3.452 1.00 0.00 C ATOM 1371 O GLU A 88 -12.603 -0.139 -2.223 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.908 -1.184 -3.497 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.660 0.135 -3.571 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.154 -0.034 -3.387 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.567 -0.567 -2.335 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.913 0.365 -4.296 1.00 0.00 O ATOM 0 H GLU A 88 -13.392 -3.146 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.692 -0.823 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.515 -1.964 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.775 -1.458 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.278 0.810 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.467 0.605 -4.535 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.813 0.549 -4.209 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.868 1.479 -3.613 1.00 0.00 C ATOM 1385 C ILE A 89 -10.937 2.846 -4.289 1.00 0.00 C ATOM 1386 O ILE A 89 -10.836 2.940 -5.513 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.408 0.931 -3.673 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.777 1.087 -5.070 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.378 -0.529 -3.255 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.114 -0.036 -6.030 1.00 0.00 C ATOM 0 H ILE A 89 -11.801 0.524 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.150 1.591 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.815 1.527 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.107 2.032 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.694 1.146 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.354 -0.900 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.753 -0.623 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.006 -1.113 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.632 0.149 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.759 -0.982 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.194 -0.083 -6.170 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.092 3.914 -3.506 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.136 5.241 -4.092 1.00 0.00 C ATOM 1404 C ALA A 90 -9.763 5.883 -4.001 1.00 0.00 C ATOM 1405 O ALA A 90 -9.292 6.225 -2.916 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.180 6.122 -3.410 1.00 0.00 C ATOM 0 H ALA A 90 -11.186 3.884 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.424 5.143 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.184 7.108 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.165 5.667 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.937 6.221 -2.352 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.127 6.040 -5.150 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.802 6.636 -5.212 1.00 0.00 C ATOM 1414 C TRP A 91 -7.891 8.134 -5.471 1.00 0.00 C ATOM 1415 O TRP A 91 -8.619 8.580 -6.358 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.968 5.967 -6.304 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.588 6.062 -7.665 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.330 5.106 -8.296 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.519 7.175 -8.563 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.728 5.556 -9.532 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.243 6.824 -9.719 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.918 8.436 -8.503 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.379 7.687 -10.803 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.055 9.291 -9.579 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.781 8.915 -10.716 1.00 0.00 C ATOM 0 H TRP A 91 -9.508 5.762 -6.055 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.317 6.480 -4.248 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.980 6.426 -6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.825 4.917 -6.050 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.570 4.137 -7.884 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.292 5.032 -10.201 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.357 8.736 -7.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.937 7.398 -11.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.594 10.267 -9.543 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.871 9.607 -11.540 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.141 8.904 -4.693 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.132 10.353 -4.840 1.00 0.00 C ATOM 1438 C GLN A 92 -6.066 10.783 -5.845 1.00 0.00 C ATOM 1439 O GLN A 92 -5.063 10.094 -6.031 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.880 11.025 -3.489 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.003 10.816 -2.486 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.750 11.525 -1.171 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -7.988 10.827 -0.066 1.00 0.00 O flip ATOM 1444 NE2 GLN A 92 -7.345 12.688 -1.146 1.00 0.00 N flip ATOM 0 H GLN A 92 -6.532 8.550 -3.955 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.108 10.665 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.952 10.639 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.738 12.094 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.939 11.175 -2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.126 9.749 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.175 13.188 -2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.180 13.151 -0.252 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.275 11.930 -6.513 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.333 12.450 -7.510 1.00 0.00 C ATOM 1455 C PRO A 93 -3.890 12.425 -7.028 1.00 0.00 C ATOM 1456 O PRO A 93 -2.977 12.150 -7.808 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.790 13.890 -7.702 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.249 13.870 -7.402 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.450 12.809 -6.352 1.00 0.00 C ATOM 0 HA PRO A 93 -5.339 11.849 -8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.258 14.566 -7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.600 14.233 -8.719 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.585 14.842 -7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.827 13.645 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.494 13.239 -5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.382 12.264 -6.506 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.693 12.729 -5.742 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.362 12.759 -5.128 1.00 0.00 C ATOM 1469 C ALA A 94 -1.817 14.182 -5.082 1.00 0.00 C ATOM 1470 O ALA A 94 -0.611 14.400 -5.203 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.378 11.849 -5.860 1.00 0.00 C ATOM 0 H ALA A 94 -4.450 12.961 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.472 12.387 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.404 11.900 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.743 10.822 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.284 12.174 -6.896 1.00 0.00 H new