USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 54 MET CE :methyl -147:sc= -2.94! (180deg=-2.9!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.261 K(o=-3.2,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0691 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.316 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.25! C(o=-2.3!,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -4.34 K(o=-4.3,f=-6.6!) USER MOD Single : A 24 SER OG : rot -50:sc= 0.233 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 153:sc= -0.14 (180deg=-0.981) USER MOD Single : A 32 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.18) USER MOD Single : A 39 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.089) USER MOD Single : A 42 GLN : amide:sc= -1.57 K(o=-1.6,f=-5.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 6:sc= 0.501 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 10:sc= 1.18 USER MOD Single : A 73 SER OG : rot 13:sc= 0.485 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.062 30.171 7.657 1.00 0.00 N ATOM 2 CA GLY A 1 22.245 29.472 6.682 1.00 0.00 C ATOM 3 C GLY A 1 20.860 30.074 6.548 1.00 0.00 C ATOM 4 O GLY A 1 20.419 30.831 7.412 1.00 0.00 O ATOM 0 H1 GLY A 1 23.868 30.620 7.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.491 30.900 8.130 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.414 29.494 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.743 29.494 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.156 28.425 6.971 1.00 0.00 H new ATOM 8 N SER A 2 20.174 29.738 5.460 1.00 0.00 N ATOM 9 CA SER A 2 18.833 30.255 5.213 1.00 0.00 C ATOM 10 C SER A 2 17.796 29.140 5.301 1.00 0.00 C ATOM 11 O SER A 2 17.991 28.051 4.761 1.00 0.00 O ATOM 12 CB SER A 2 18.766 30.921 3.837 1.00 0.00 C ATOM 13 OG SER A 2 19.412 32.182 3.849 1.00 0.00 O ATOM 0 H SER A 2 20.524 29.111 4.736 1.00 0.00 H new ATOM 0 HA SER A 2 18.610 30.997 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.235 30.276 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.725 31.045 3.540 1.00 0.00 H new ATOM 0 HG SER A 2 19.357 32.586 2.958 1.00 0.00 H new ATOM 19 N SER A 3 16.692 29.420 5.987 1.00 0.00 N ATOM 20 CA SER A 3 15.625 28.440 6.151 1.00 0.00 C ATOM 21 C SER A 3 14.296 29.128 6.444 1.00 0.00 C ATOM 22 O SER A 3 14.261 30.287 6.857 1.00 0.00 O ATOM 23 CB SER A 3 15.967 27.465 7.279 1.00 0.00 C ATOM 24 OG SER A 3 17.222 26.845 7.054 1.00 0.00 O ATOM 0 H SER A 3 16.513 30.317 6.438 1.00 0.00 H new ATOM 0 HA SER A 3 15.529 27.885 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.986 27.997 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.190 26.704 7.354 1.00 0.00 H new ATOM 0 HG SER A 3 17.419 26.228 7.789 1.00 0.00 H new ATOM 30 N GLY A 4 13.201 28.405 6.227 1.00 0.00 N ATOM 31 CA GLY A 4 11.883 28.962 6.473 1.00 0.00 C ATOM 32 C GLY A 4 10.829 27.891 6.670 1.00 0.00 C ATOM 33 O GLY A 4 11.111 26.700 6.534 1.00 0.00 O ATOM 0 H GLY A 4 13.203 27.444 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.920 29.598 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.598 29.598 5.635 1.00 0.00 H new ATOM 37 N SER A 5 9.611 28.314 6.993 1.00 0.00 N ATOM 38 CA SER A 5 8.512 27.382 7.214 1.00 0.00 C ATOM 39 C SER A 5 7.490 27.468 6.084 1.00 0.00 C ATOM 40 O SER A 5 7.570 28.347 5.227 1.00 0.00 O ATOM 41 CB SER A 5 7.832 27.671 8.554 1.00 0.00 C ATOM 42 OG SER A 5 8.580 27.133 9.631 1.00 0.00 O ATOM 0 H SER A 5 9.361 29.296 7.107 1.00 0.00 H new ATOM 0 HA SER A 5 8.923 26.373 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.722 28.747 8.685 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.828 27.246 8.556 1.00 0.00 H new ATOM 0 HG SER A 5 8.126 27.332 10.476 1.00 0.00 H new ATOM 48 N SER A 6 6.531 26.548 6.091 1.00 0.00 N ATOM 49 CA SER A 6 5.495 26.516 5.065 1.00 0.00 C ATOM 50 C SER A 6 4.156 26.981 5.630 1.00 0.00 C ATOM 51 O SER A 6 3.618 26.377 6.557 1.00 0.00 O ATOM 52 CB SER A 6 5.358 25.104 4.493 1.00 0.00 C ATOM 53 OG SER A 6 6.609 24.609 4.050 1.00 0.00 O ATOM 0 H SER A 6 6.450 25.815 6.796 1.00 0.00 H new ATOM 0 HA SER A 6 5.788 27.197 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.949 24.439 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.652 25.112 3.663 1.00 0.00 H new ATOM 0 HG SER A 6 6.494 23.705 3.691 1.00 0.00 H new ATOM 59 N GLY A 7 3.625 28.060 5.064 1.00 0.00 N ATOM 60 CA GLY A 7 2.354 28.589 5.523 1.00 0.00 C ATOM 61 C GLY A 7 1.184 27.707 5.133 1.00 0.00 C ATOM 62 O GLY A 7 0.278 27.478 5.933 1.00 0.00 O ATOM 0 H GLY A 7 4.052 28.577 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.379 28.696 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.208 29.586 5.108 1.00 0.00 H new ATOM 66 N GLU A 8 1.203 27.214 3.899 1.00 0.00 N ATOM 67 CA GLU A 8 0.133 26.355 3.404 1.00 0.00 C ATOM 68 C GLU A 8 0.519 24.883 3.521 1.00 0.00 C ATOM 69 O GLU A 8 1.701 24.542 3.573 1.00 0.00 O ATOM 70 CB GLU A 8 -0.190 26.694 1.947 1.00 0.00 C ATOM 71 CG GLU A 8 -1.174 27.842 1.794 1.00 0.00 C ATOM 72 CD GLU A 8 -0.491 29.195 1.765 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.592 29.326 2.374 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.038 30.123 1.134 1.00 0.00 O ATOM 0 H GLU A 8 1.946 27.394 3.224 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.752 26.531 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.734 26.947 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.598 25.809 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.744 27.707 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.887 27.817 2.618 1.00 0.00 H new ATOM 81 N ASP A 9 -0.486 24.016 3.564 1.00 0.00 N ATOM 82 CA ASP A 9 -0.253 22.580 3.675 1.00 0.00 C ATOM 83 C ASP A 9 0.863 22.137 2.735 1.00 0.00 C ATOM 84 O ASP A 9 1.055 22.693 1.653 1.00 0.00 O ATOM 85 CB ASP A 9 -1.537 21.809 3.363 1.00 0.00 C ATOM 86 CG ASP A 9 -2.561 21.914 4.476 1.00 0.00 C ATOM 87 OD1 ASP A 9 -2.327 21.330 5.554 1.00 0.00 O ATOM 88 OD2 ASP A 9 -3.597 22.580 4.268 1.00 0.00 O ATOM 0 H ASP A 9 -1.470 24.282 3.524 1.00 0.00 H new ATOM 0 HA ASP A 9 0.052 22.363 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.970 22.190 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.295 20.760 3.194 1.00 0.00 H new ATOM 93 N PRO A 10 1.619 21.112 3.155 1.00 0.00 N ATOM 94 CA PRO A 10 2.730 20.571 2.366 1.00 0.00 C ATOM 95 C PRO A 10 2.251 19.834 1.120 1.00 0.00 C ATOM 96 O PRO A 10 3.046 19.230 0.400 1.00 0.00 O ATOM 97 CB PRO A 10 3.412 19.600 3.333 1.00 0.00 C ATOM 98 CG PRO A 10 2.340 19.200 4.288 1.00 0.00 C ATOM 99 CD PRO A 10 1.447 20.401 4.434 1.00 0.00 C ATOM 0 HA PRO A 10 3.388 21.357 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.816 18.735 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.245 20.076 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.782 18.342 3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.763 18.909 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.409 20.112 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.742 21.020 5.281 1.00 0.00 H new ATOM 107 N PHE A 11 0.946 19.888 0.871 1.00 0.00 N ATOM 108 CA PHE A 11 0.361 19.224 -0.288 1.00 0.00 C ATOM 109 C PHE A 11 0.830 17.775 -0.379 1.00 0.00 C ATOM 110 O PHE A 11 0.848 17.186 -1.459 1.00 0.00 O ATOM 111 CB PHE A 11 0.730 19.973 -1.571 1.00 0.00 C ATOM 112 CG PHE A 11 2.033 20.715 -1.478 1.00 0.00 C ATOM 113 CD1 PHE A 11 2.090 21.972 -0.899 1.00 0.00 C ATOM 114 CD2 PHE A 11 3.201 20.155 -1.970 1.00 0.00 C ATOM 115 CE1 PHE A 11 3.287 22.658 -0.812 1.00 0.00 C ATOM 116 CE2 PHE A 11 4.401 20.835 -1.885 1.00 0.00 C ATOM 117 CZ PHE A 11 4.444 22.088 -1.307 1.00 0.00 C ATOM 0 H PHE A 11 0.274 20.385 1.456 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.723 19.230 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.784 19.261 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.065 20.679 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.188 22.422 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.173 19.176 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.318 23.637 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.305 20.386 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.381 22.622 -1.242 1.00 0.00 H new ATOM 127 N GLN A 12 1.207 17.209 0.762 1.00 0.00 N ATOM 128 CA GLN A 12 1.677 15.829 0.811 1.00 0.00 C ATOM 129 C GLN A 12 0.519 14.853 0.627 1.00 0.00 C ATOM 130 O GLN A 12 -0.633 15.152 0.941 1.00 0.00 O ATOM 131 CB GLN A 12 2.384 15.555 2.140 1.00 0.00 C ATOM 132 CG GLN A 12 1.521 15.842 3.358 1.00 0.00 C ATOM 133 CD GLN A 12 2.341 16.094 4.608 1.00 0.00 C ATOM 134 OE1 GLN A 12 3.540 16.367 4.533 1.00 0.00 O ATOM 135 NE2 GLN A 12 1.699 16.003 5.766 1.00 0.00 N ATOM 0 H GLN A 12 1.196 17.684 1.665 1.00 0.00 H new ATOM 0 HA GLN A 12 2.385 15.684 -0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.699 14.512 2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.287 16.163 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.894 16.711 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.852 14.999 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.705 15.774 5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.200 16.162 6.640 1.00 0.00 H new ATOM 144 N PRO A 13 0.830 13.657 0.105 1.00 0.00 N ATOM 145 CA PRO A 13 -0.170 12.613 -0.133 1.00 0.00 C ATOM 146 C PRO A 13 -0.706 12.017 1.165 1.00 0.00 C ATOM 147 O PRO A 13 -0.115 12.194 2.230 1.00 0.00 O ATOM 148 CB PRO A 13 0.601 11.556 -0.928 1.00 0.00 C ATOM 149 CG PRO A 13 2.026 11.758 -0.542 1.00 0.00 C ATOM 150 CD PRO A 13 2.183 13.232 -0.292 1.00 0.00 C ATOM 0 HA PRO A 13 -1.047 13.000 -0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.263 10.550 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.459 11.686 -2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.274 11.182 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.696 11.423 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.913 13.431 0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.523 13.757 -1.185 1.00 0.00 H new ATOM 158 N GLU A 14 -1.828 11.310 1.068 1.00 0.00 N ATOM 159 CA GLU A 14 -2.442 10.689 2.235 1.00 0.00 C ATOM 160 C GLU A 14 -1.850 9.306 2.490 1.00 0.00 C ATOM 161 O GLU A 14 -2.573 8.354 2.787 1.00 0.00 O ATOM 162 CB GLU A 14 -3.956 10.580 2.045 1.00 0.00 C ATOM 163 CG GLU A 14 -4.362 9.659 0.907 1.00 0.00 C ATOM 164 CD GLU A 14 -5.858 9.667 0.656 1.00 0.00 C ATOM 165 OE1 GLU A 14 -6.344 10.614 0.003 1.00 0.00 O ATOM 166 OE2 GLU A 14 -6.541 8.726 1.112 1.00 0.00 O ATOM 0 H GLU A 14 -2.329 11.153 0.194 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.236 11.319 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.405 10.220 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.363 11.574 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.843 9.961 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.041 8.643 1.135 1.00 0.00 H new ATOM 173 N ILE A 15 -0.530 9.203 2.372 1.00 0.00 N ATOM 174 CA ILE A 15 0.159 7.937 2.591 1.00 0.00 C ATOM 175 C ILE A 15 -0.065 7.426 4.010 1.00 0.00 C ATOM 176 O ILE A 15 -0.396 8.194 4.913 1.00 0.00 O ATOM 177 CB ILE A 15 1.673 8.070 2.338 1.00 0.00 C ATOM 178 CG1 ILE A 15 1.931 8.680 0.959 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.351 6.713 2.459 1.00 0.00 C ATOM 180 CD1 ILE A 15 1.715 7.709 -0.181 1.00 0.00 C ATOM 0 H ILE A 15 0.083 9.980 2.126 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.259 7.223 1.881 1.00 0.00 H new ATOM 0 HB ILE A 15 2.095 8.734 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.275 9.540 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.955 9.051 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.420 6.823 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.192 6.315 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.927 6.028 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.916 8.209 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.390 6.860 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.684 7.357 -0.168 1.00 0.00 H new ATOM 192 N LYS A 16 0.118 6.124 4.199 1.00 0.00 N ATOM 193 CA LYS A 16 -0.062 5.509 5.509 1.00 0.00 C ATOM 194 C LYS A 16 1.280 5.086 6.100 1.00 0.00 C ATOM 195 O LYS A 16 1.462 5.091 7.317 1.00 0.00 O ATOM 196 CB LYS A 16 -0.989 4.296 5.403 1.00 0.00 C ATOM 197 CG LYS A 16 -1.050 3.464 6.672 1.00 0.00 C ATOM 198 CD LYS A 16 -2.159 3.938 7.597 1.00 0.00 C ATOM 199 CE LYS A 16 -1.741 5.172 8.381 1.00 0.00 C ATOM 200 NZ LYS A 16 -2.655 5.437 9.527 1.00 0.00 N ATOM 0 H LYS A 16 0.391 5.474 3.462 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.515 6.248 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.994 4.638 5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.654 3.664 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.212 2.417 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.093 3.520 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.051 4.162 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.424 3.138 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.724 5.040 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.730 6.037 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.336 6.286 10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.621 5.588 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.647 4.622 10.173 1.00 0.00 H new ATOM 214 N VAL A 17 2.217 4.723 5.230 1.00 0.00 N ATOM 215 CA VAL A 17 3.542 4.300 5.666 1.00 0.00 C ATOM 216 C VAL A 17 3.450 3.239 6.756 1.00 0.00 C ATOM 217 O VAL A 17 4.128 3.326 7.780 1.00 0.00 O ATOM 218 CB VAL A 17 4.366 5.491 6.191 1.00 0.00 C ATOM 219 CG1 VAL A 17 5.818 5.086 6.399 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.264 6.671 5.237 1.00 0.00 C ATOM 0 H VAL A 17 2.083 4.713 4.219 1.00 0.00 H new ATOM 0 HA VAL A 17 4.042 3.877 4.795 1.00 0.00 H new ATOM 0 HB VAL A 17 3.958 5.796 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.384 5.940 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.869 4.274 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.242 4.753 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.852 7.503 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.645 6.381 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.221 6.975 5.145 1.00 0.00 H new ATOM 230 N ARG A 18 2.607 2.237 6.530 1.00 0.00 N ATOM 231 CA ARG A 18 2.425 1.159 7.493 1.00 0.00 C ATOM 232 C ARG A 18 3.487 0.079 7.307 1.00 0.00 C ATOM 233 O ARG A 18 3.269 -1.086 7.643 1.00 0.00 O ATOM 234 CB ARG A 18 1.030 0.547 7.350 1.00 0.00 C ATOM 235 CG ARG A 18 0.388 0.177 8.677 1.00 0.00 C ATOM 236 CD ARG A 18 0.496 1.311 9.684 1.00 0.00 C ATOM 237 NE ARG A 18 1.686 1.189 10.520 1.00 0.00 N ATOM 238 CZ ARG A 18 1.874 0.204 11.392 1.00 0.00 C ATOM 239 NH1 ARG A 18 0.954 -0.739 11.541 1.00 0.00 N ATOM 240 NH2 ARG A 18 2.985 0.162 12.118 1.00 0.00 N ATOM 0 H ARG A 18 2.039 2.150 5.687 1.00 0.00 H new ATOM 0 HA ARG A 18 2.529 1.579 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.384 1.253 6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.096 -0.345 6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.661 -0.071 8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.869 -0.715 9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.521 2.264 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.392 1.320 10.316 1.00 0.00 H new ATOM 0 HE ARG A 18 2.413 1.899 10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.099 -0.710 10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.101 -1.494 12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.695 0.886 12.007 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.129 -0.594 12.787 1.00 0.00 H new ATOM 254 N CYS A 19 4.636 0.473 6.770 1.00 0.00 N ATOM 255 CA CYS A 19 5.732 -0.460 6.538 1.00 0.00 C ATOM 256 C CYS A 19 6.227 -1.056 7.853 1.00 0.00 C ATOM 257 O CYS A 19 6.166 -0.413 8.901 1.00 0.00 O ATOM 258 CB CYS A 19 6.885 0.243 5.819 1.00 0.00 C ATOM 259 SG CYS A 19 8.002 -0.884 4.925 1.00 0.00 S ATOM 0 H CYS A 19 4.833 1.433 6.487 1.00 0.00 H new ATOM 0 HA CYS A 19 5.360 -1.269 5.910 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.473 0.964 5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.464 0.807 6.550 1.00 0.00 H new ATOM 264 N VAL A 20 6.717 -2.290 7.789 1.00 0.00 N ATOM 265 CA VAL A 20 7.223 -2.974 8.973 1.00 0.00 C ATOM 266 C VAL A 20 8.368 -2.194 9.610 1.00 0.00 C ATOM 267 O VAL A 20 8.575 -2.252 10.823 1.00 0.00 O ATOM 268 CB VAL A 20 7.710 -4.396 8.636 1.00 0.00 C ATOM 269 CG1 VAL A 20 6.534 -5.291 8.276 1.00 0.00 C ATOM 270 CG2 VAL A 20 8.726 -4.356 7.504 1.00 0.00 C ATOM 0 H VAL A 20 6.774 -2.836 6.930 1.00 0.00 H new ATOM 0 HA VAL A 20 6.395 -3.040 9.678 1.00 0.00 H new ATOM 0 HB VAL A 20 8.198 -4.813 9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.897 -6.292 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.845 -5.344 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.016 -4.880 7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.060 -5.369 7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.266 -3.920 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.581 -3.751 7.804 1.00 0.00 H new ATOM 280 N CYS A 21 9.110 -1.464 8.785 1.00 0.00 N ATOM 281 CA CYS A 21 10.235 -0.671 9.266 1.00 0.00 C ATOM 282 C CYS A 21 9.838 0.151 10.488 1.00 0.00 C ATOM 283 O CYS A 21 10.665 0.436 11.353 1.00 0.00 O ATOM 284 CB CYS A 21 10.745 0.253 8.159 1.00 0.00 C ATOM 285 SG CYS A 21 11.542 -0.617 6.771 1.00 0.00 S ATOM 0 H CYS A 21 8.953 -1.405 7.779 1.00 0.00 H new ATOM 0 HA CYS A 21 11.033 -1.355 9.554 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.909 0.838 7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.457 0.958 8.588 1.00 0.00 H new ATOM 290 N GLY A 22 8.565 0.529 10.552 1.00 0.00 N ATOM 291 CA GLY A 22 8.080 1.315 11.672 1.00 0.00 C ATOM 292 C GLY A 22 8.512 2.766 11.593 1.00 0.00 C ATOM 293 O GLY A 22 8.795 3.392 12.613 1.00 0.00 O ATOM 0 H GLY A 22 7.861 0.305 9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.992 1.264 11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.446 0.880 12.602 1.00 0.00 H new ATOM 297 N ASN A 23 8.565 3.300 10.377 1.00 0.00 N ATOM 298 CA ASN A 23 8.969 4.686 10.168 1.00 0.00 C ATOM 299 C ASN A 23 7.782 5.538 9.728 1.00 0.00 C ATOM 300 O ASN A 23 6.666 5.039 9.587 1.00 0.00 O ATOM 301 CB ASN A 23 10.083 4.763 9.122 1.00 0.00 C ATOM 302 CG ASN A 23 9.790 3.910 7.903 1.00 0.00 C ATOM 303 OD1 ASN A 23 10.487 2.930 7.636 1.00 0.00 O ATOM 304 ND2 ASN A 23 8.756 4.279 7.156 1.00 0.00 N ATOM 0 H ASN A 23 8.333 2.794 9.522 1.00 0.00 H new ATOM 0 HA ASN A 23 9.342 5.076 11.115 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.217 5.800 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.022 4.440 9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.512 3.743 6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.206 5.098 7.415 1.00 0.00 H new ATOM 311 N SER A 24 8.033 6.825 9.511 1.00 0.00 N ATOM 312 CA SER A 24 6.985 7.747 9.089 1.00 0.00 C ATOM 313 C SER A 24 7.450 8.596 7.910 1.00 0.00 C ATOM 314 O SER A 24 7.027 9.741 7.749 1.00 0.00 O ATOM 315 CB SER A 24 6.574 8.652 10.252 1.00 0.00 C ATOM 316 OG SER A 24 5.342 9.300 9.984 1.00 0.00 O ATOM 0 H SER A 24 8.952 7.253 9.620 1.00 0.00 H new ATOM 0 HA SER A 24 6.124 7.158 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.487 8.061 11.164 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.350 9.397 10.429 1.00 0.00 H new ATOM 0 HG SER A 24 5.379 9.719 9.099 1.00 0.00 H new ATOM 322 N LEU A 25 8.324 8.026 7.088 1.00 0.00 N ATOM 323 CA LEU A 25 8.849 8.729 5.922 1.00 0.00 C ATOM 324 C LEU A 25 8.409 8.046 4.631 1.00 0.00 C ATOM 325 O LEU A 25 8.019 6.879 4.637 1.00 0.00 O ATOM 326 CB LEU A 25 10.376 8.791 5.984 1.00 0.00 C ATOM 327 CG LEU A 25 11.118 7.534 5.530 1.00 0.00 C ATOM 328 CD1 LEU A 25 11.387 7.584 4.034 1.00 0.00 C ATOM 329 CD2 LEU A 25 12.420 7.375 6.302 1.00 0.00 C ATOM 0 H LEU A 25 8.684 7.079 7.207 1.00 0.00 H new ATOM 0 HA LEU A 25 8.450 9.743 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.711 9.628 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.669 9.011 7.011 1.00 0.00 H new ATOM 0 HG LEU A 25 10.488 6.669 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.916 6.681 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.441 7.650 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.997 8.457 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.935 6.475 5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.055 8.243 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.204 7.293 7.367 1.00 0.00 H new ATOM 341 N GLU A 26 8.476 8.782 3.526 1.00 0.00 N ATOM 342 CA GLU A 26 8.086 8.246 2.227 1.00 0.00 C ATOM 343 C GLU A 26 9.175 8.492 1.187 1.00 0.00 C ATOM 344 O GLU A 26 9.747 9.580 1.115 1.00 0.00 O ATOM 345 CB GLU A 26 6.771 8.878 1.764 1.00 0.00 C ATOM 346 CG GLU A 26 5.636 8.722 2.762 1.00 0.00 C ATOM 347 CD GLU A 26 4.646 9.869 2.703 1.00 0.00 C ATOM 348 OE1 GLU A 26 4.487 10.459 1.614 1.00 0.00 O ATOM 349 OE2 GLU A 26 4.032 10.178 3.745 1.00 0.00 O ATOM 0 H GLU A 26 8.796 9.750 3.504 1.00 0.00 H new ATOM 0 HA GLU A 26 7.947 7.170 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.934 9.939 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.475 8.428 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.113 7.785 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.049 8.655 3.769 1.00 0.00 H new ATOM 356 N THR A 27 9.458 7.472 0.382 1.00 0.00 N ATOM 357 CA THR A 27 10.479 7.575 -0.652 1.00 0.00 C ATOM 358 C THR A 27 9.853 7.601 -2.042 1.00 0.00 C ATOM 359 O THR A 27 8.657 7.355 -2.199 1.00 0.00 O ATOM 360 CB THR A 27 11.478 6.406 -0.574 1.00 0.00 C ATOM 361 OG1 THR A 27 10.779 5.158 -0.635 1.00 0.00 O ATOM 362 CG2 THR A 27 12.292 6.474 0.710 1.00 0.00 C ATOM 0 H THR A 27 8.994 6.565 0.427 1.00 0.00 H new ATOM 0 HA THR A 27 11.011 8.510 -0.478 1.00 0.00 H new ATOM 0 HB THR A 27 12.158 6.483 -1.422 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.422 4.420 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.991 5.638 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.847 7.412 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.622 6.421 1.568 1.00 0.00 H new ATOM 370 N ASP A 28 10.668 7.899 -3.048 1.00 0.00 N ATOM 371 CA ASP A 28 10.194 7.955 -4.426 1.00 0.00 C ATOM 372 C ASP A 28 9.772 6.572 -4.912 1.00 0.00 C ATOM 373 O ASP A 28 8.953 6.447 -5.822 1.00 0.00 O ATOM 374 CB ASP A 28 11.282 8.521 -5.339 1.00 0.00 C ATOM 375 CG ASP A 28 10.740 8.950 -6.689 1.00 0.00 C ATOM 376 OD1 ASP A 28 10.109 10.025 -6.759 1.00 0.00 O ATOM 377 OD2 ASP A 28 10.945 8.210 -7.674 1.00 0.00 O ATOM 0 H ASP A 28 11.660 8.106 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 28 9.325 8.612 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.753 9.375 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.058 7.769 -5.484 1.00 0.00 H new ATOM 382 N SER A 29 10.338 5.537 -4.299 1.00 0.00 N ATOM 383 CA SER A 29 10.024 4.163 -4.673 1.00 0.00 C ATOM 384 C SER A 29 9.134 3.504 -3.623 1.00 0.00 C ATOM 385 O SER A 29 9.623 2.941 -2.644 1.00 0.00 O ATOM 386 CB SER A 29 11.310 3.354 -4.848 1.00 0.00 C ATOM 387 OG SER A 29 11.872 3.561 -6.133 1.00 0.00 O ATOM 0 H SER A 29 11.016 5.624 -3.542 1.00 0.00 H new ATOM 0 HA SER A 29 9.484 4.184 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.031 3.640 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.099 2.294 -4.706 1.00 0.00 H new ATOM 0 HG SER A 29 12.694 3.034 -6.219 1.00 0.00 H new ATOM 393 N MET A 30 7.824 3.579 -3.835 1.00 0.00 N ATOM 394 CA MET A 30 6.865 2.989 -2.909 1.00 0.00 C ATOM 395 C MET A 30 5.657 2.436 -3.656 1.00 0.00 C ATOM 396 O MET A 30 5.289 2.938 -4.719 1.00 0.00 O ATOM 397 CB MET A 30 6.412 4.028 -1.881 1.00 0.00 C ATOM 398 CG MET A 30 7.488 4.393 -0.871 1.00 0.00 C ATOM 399 SD MET A 30 6.826 5.258 0.566 1.00 0.00 S ATOM 400 CE MET A 30 6.592 3.895 1.704 1.00 0.00 C ATOM 0 H MET A 30 7.403 4.043 -4.640 1.00 0.00 H new ATOM 0 HA MET A 30 7.357 2.166 -2.391 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.095 4.930 -2.404 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.541 3.645 -1.349 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.995 3.486 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 30 8.237 5.020 -1.354 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.658 4.261 2.729 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.611 3.449 1.541 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.364 3.144 1.536 1.00 0.00 H new ATOM 410 N ILE A 31 5.044 1.399 -3.095 1.00 0.00 N ATOM 411 CA ILE A 31 3.876 0.778 -3.709 1.00 0.00 C ATOM 412 C ILE A 31 2.697 0.748 -2.743 1.00 0.00 C ATOM 413 O ILE A 31 2.877 0.597 -1.535 1.00 0.00 O ATOM 414 CB ILE A 31 4.181 -0.658 -4.174 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.451 -1.561 -2.969 1.00 0.00 C ATOM 416 CG2 ILE A 31 5.369 -0.666 -5.125 1.00 0.00 C ATOM 417 CD1 ILE A 31 5.855 -1.433 -2.420 1.00 0.00 C ATOM 0 H ILE A 31 5.336 0.971 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 31 3.616 1.385 -4.576 1.00 0.00 H new ATOM 0 HB ILE A 31 3.312 -1.044 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.738 -1.323 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.275 -2.598 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.572 -1.688 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.142 -0.052 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.245 -0.264 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.975 -2.102 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.574 -1.700 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.029 -0.405 -2.102 1.00 0.00 H new ATOM 429 N GLN A 32 1.492 0.891 -3.284 1.00 0.00 N ATOM 430 CA GLN A 32 0.283 0.879 -2.468 1.00 0.00 C ATOM 431 C GLN A 32 -0.403 -0.482 -2.532 1.00 0.00 C ATOM 432 O GLN A 32 -0.376 -1.155 -3.563 1.00 0.00 O ATOM 433 CB GLN A 32 -0.682 1.972 -2.933 1.00 0.00 C ATOM 434 CG GLN A 32 -1.783 2.277 -1.930 1.00 0.00 C ATOM 435 CD GLN A 32 -2.700 3.392 -2.392 1.00 0.00 C ATOM 436 OE1 GLN A 32 -3.109 3.435 -3.553 1.00 0.00 O ATOM 437 NE2 GLN A 32 -3.029 4.303 -1.484 1.00 0.00 N ATOM 0 H GLN A 32 1.326 1.016 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 32 0.570 1.073 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.118 2.884 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.135 1.668 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.371 1.376 -1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.334 2.553 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.667 4.229 -0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.643 5.077 -1.737 1.00 0.00 H new ATOM 446 N CYS A 33 -1.017 -0.881 -1.424 1.00 0.00 N ATOM 447 CA CYS A 33 -1.710 -2.162 -1.352 1.00 0.00 C ATOM 448 C CYS A 33 -2.999 -2.130 -2.169 1.00 0.00 C ATOM 449 O CYS A 33 -3.689 -1.112 -2.217 1.00 0.00 O ATOM 450 CB CYS A 33 -2.024 -2.516 0.103 1.00 0.00 C ATOM 451 SG CYS A 33 -2.461 -4.264 0.366 1.00 0.00 S ATOM 0 H CYS A 33 -1.049 -0.336 -0.563 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.054 -2.925 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.159 -2.272 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.848 -1.891 0.448 1.00 0.00 H new ATOM 456 N GLU A 34 -3.316 -3.251 -2.809 1.00 0.00 N ATOM 457 CA GLU A 34 -4.521 -3.350 -3.623 1.00 0.00 C ATOM 458 C GLU A 34 -5.771 -3.126 -2.776 1.00 0.00 C ATOM 459 O GLU A 34 -6.647 -2.342 -3.139 1.00 0.00 O ATOM 460 CB GLU A 34 -4.592 -4.718 -4.304 1.00 0.00 C ATOM 461 CG GLU A 34 -3.555 -4.908 -5.399 1.00 0.00 C ATOM 462 CD GLU A 34 -3.915 -4.174 -6.676 1.00 0.00 C ATOM 463 OE1 GLU A 34 -5.080 -4.279 -7.114 1.00 0.00 O ATOM 464 OE2 GLU A 34 -3.030 -3.495 -7.239 1.00 0.00 O ATOM 0 H GLU A 34 -2.755 -4.103 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.477 -2.573 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.461 -5.496 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.586 -4.851 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.587 -4.556 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.449 -5.971 -5.613 1.00 0.00 H new ATOM 471 N ASP A 35 -5.844 -3.822 -1.646 1.00 0.00 N ATOM 472 CA ASP A 35 -6.985 -3.699 -0.746 1.00 0.00 C ATOM 473 C ASP A 35 -7.379 -2.237 -0.563 1.00 0.00 C ATOM 474 O ASP A 35 -6.534 -1.359 -0.387 1.00 0.00 O ATOM 475 CB ASP A 35 -6.661 -4.327 0.611 1.00 0.00 C ATOM 476 CG ASP A 35 -7.883 -4.927 1.278 1.00 0.00 C ATOM 477 OD1 ASP A 35 -8.415 -5.927 0.752 1.00 0.00 O ATOM 478 OD2 ASP A 35 -8.307 -4.397 2.326 1.00 0.00 O ATOM 0 H ASP A 35 -5.127 -4.476 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.826 -4.229 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.906 -5.102 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.229 -3.569 1.265 1.00 0.00 H new ATOM 483 N PRO A 36 -8.692 -1.967 -0.607 1.00 0.00 N ATOM 484 CA PRO A 36 -9.228 -0.612 -0.449 1.00 0.00 C ATOM 485 C PRO A 36 -9.068 -0.088 0.974 1.00 0.00 C ATOM 486 O PRO A 36 -8.546 1.007 1.188 1.00 0.00 O ATOM 487 CB PRO A 36 -10.710 -0.774 -0.796 1.00 0.00 C ATOM 488 CG PRO A 36 -11.014 -2.203 -0.504 1.00 0.00 C ATOM 489 CD PRO A 36 -9.755 -2.965 -0.814 1.00 0.00 C ATOM 0 HA PRO A 36 -8.706 0.109 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.332 -0.107 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.900 -0.535 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.304 -2.335 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.845 -2.558 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.633 -3.825 -0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.756 -3.345 -1.836 1.00 0.00 H new ATOM 497 N ARG A 37 -9.519 -0.876 1.944 1.00 0.00 N ATOM 498 CA ARG A 37 -9.426 -0.491 3.347 1.00 0.00 C ATOM 499 C ARG A 37 -7.969 -0.351 3.778 1.00 0.00 C ATOM 500 O ARG A 37 -7.661 0.337 4.752 1.00 0.00 O ATOM 501 CB ARG A 37 -10.132 -1.522 4.229 1.00 0.00 C ATOM 502 CG ARG A 37 -9.634 -2.943 4.024 1.00 0.00 C ATOM 503 CD ARG A 37 -10.028 -3.845 5.183 1.00 0.00 C ATOM 504 NE ARG A 37 -11.409 -4.307 5.073 1.00 0.00 N ATOM 505 CZ ARG A 37 -12.134 -4.709 6.111 1.00 0.00 C ATOM 506 NH1 ARG A 37 -11.612 -4.706 7.330 1.00 0.00 N ATOM 507 NH2 ARG A 37 -13.384 -5.115 5.931 1.00 0.00 N ATOM 0 H ARG A 37 -9.953 -1.785 1.784 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.916 0.475 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.997 -1.246 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.202 -1.489 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.043 -3.342 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.549 -2.938 3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.360 -4.705 5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.900 -3.306 6.122 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.840 -4.322 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.651 -4.394 7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.171 -5.015 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.789 -5.119 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.940 -5.424 6.729 1.00 0.00 H new ATOM 521 N CYS A 38 -7.075 -1.008 3.045 1.00 0.00 N ATOM 522 CA CYS A 38 -5.651 -0.959 3.351 1.00 0.00 C ATOM 523 C CYS A 38 -4.997 0.258 2.701 1.00 0.00 C ATOM 524 O CYS A 38 -4.613 1.208 3.384 1.00 0.00 O ATOM 525 CB CYS A 38 -4.961 -2.238 2.873 1.00 0.00 C ATOM 526 SG CYS A 38 -3.345 -2.548 3.655 1.00 0.00 S ATOM 0 H CYS A 38 -7.313 -1.580 2.235 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.540 -0.876 4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.616 -3.087 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.825 -2.183 1.793 1.00 0.00 H new ATOM 531 N HIS A 39 -4.874 0.221 1.378 1.00 0.00 N ATOM 532 CA HIS A 39 -4.268 1.321 0.636 1.00 0.00 C ATOM 533 C HIS A 39 -3.013 1.825 1.340 1.00 0.00 C ATOM 534 O HIS A 39 -2.722 3.021 1.333 1.00 0.00 O ATOM 535 CB HIS A 39 -5.269 2.465 0.471 1.00 0.00 C ATOM 536 CG HIS A 39 -6.106 2.355 -0.766 1.00 0.00 C ATOM 537 ND1 HIS A 39 -7.314 3.003 -0.918 1.00 0.00 N ATOM 538 CD2 HIS A 39 -5.903 1.668 -1.915 1.00 0.00 C ATOM 539 CE1 HIS A 39 -7.818 2.718 -2.106 1.00 0.00 C ATOM 540 NE2 HIS A 39 -6.981 1.910 -2.730 1.00 0.00 N ATOM 0 H HIS A 39 -5.186 -0.558 0.798 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.986 0.950 -0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.924 2.492 1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.727 3.411 0.450 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.052 1.046 -2.147 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.755 3.084 -2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.114 1.527 -3.666 1.00 0.00 H new ATOM 549 N VAL A 40 -2.272 0.905 1.949 1.00 0.00 N ATOM 550 CA VAL A 40 -1.047 1.256 2.658 1.00 0.00 C ATOM 551 C VAL A 40 0.148 1.282 1.712 1.00 0.00 C ATOM 552 O VAL A 40 0.166 0.581 0.700 1.00 0.00 O ATOM 553 CB VAL A 40 -0.759 0.268 3.804 1.00 0.00 C ATOM 554 CG1 VAL A 40 -2.014 0.026 4.629 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.212 -1.041 3.254 1.00 0.00 C ATOM 0 H VAL A 40 -2.499 -0.089 1.966 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.198 2.252 3.075 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.003 0.706 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.791 -0.675 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.358 0.969 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.794 -0.390 3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.014 -1.727 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.943 -1.486 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.714 -0.849 2.711 1.00 0.00 H new ATOM 565 N TRP A 41 1.144 2.092 2.049 1.00 0.00 N ATOM 566 CA TRP A 41 2.345 2.209 1.228 1.00 0.00 C ATOM 567 C TRP A 41 3.545 1.578 1.926 1.00 0.00 C ATOM 568 O TRP A 41 3.726 1.738 3.133 1.00 0.00 O ATOM 569 CB TRP A 41 2.635 3.678 0.918 1.00 0.00 C ATOM 570 CG TRP A 41 1.573 4.330 0.085 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.337 4.734 0.502 1.00 0.00 C ATOM 572 CD2 TRP A 41 1.654 4.651 -1.308 1.00 0.00 C ATOM 573 NE1 TRP A 41 -0.356 5.287 -0.548 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.430 5.249 -1.669 1.00 0.00 C ATOM 575 CE3 TRP A 41 2.641 4.494 -2.285 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.170 5.687 -2.965 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.381 4.929 -3.570 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.154 5.520 -3.901 1.00 0.00 C ATOM 0 H TRP A 41 1.145 2.678 2.884 1.00 0.00 H new ATOM 0 HA TRP A 41 2.169 1.676 0.294 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.740 4.226 1.855 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.590 3.751 0.398 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.040 4.634 1.509 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.302 5.665 -0.500 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.590 4.041 -2.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.775 6.142 -3.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.136 4.812 -4.333 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.982 5.850 -4.915 1.00 0.00 H new ATOM 589 N GLN A 42 4.359 0.860 1.160 1.00 0.00 N ATOM 590 CA GLN A 42 5.541 0.204 1.707 1.00 0.00 C ATOM 591 C GLN A 42 6.752 0.426 0.806 1.00 0.00 C ATOM 592 O GLN A 42 6.623 0.512 -0.415 1.00 0.00 O ATOM 593 CB GLN A 42 5.286 -1.294 1.878 1.00 0.00 C ATOM 594 CG GLN A 42 4.126 -1.611 2.808 1.00 0.00 C ATOM 595 CD GLN A 42 3.952 -3.100 3.037 1.00 0.00 C ATOM 596 OE1 GLN A 42 3.828 -3.875 2.089 1.00 0.00 O ATOM 597 NE2 GLN A 42 3.942 -3.507 4.301 1.00 0.00 N ATOM 0 H GLN A 42 4.222 0.718 0.159 1.00 0.00 H new ATOM 0 HA GLN A 42 5.751 0.643 2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.088 -1.734 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.190 -1.766 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.287 -1.116 3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.207 -1.202 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.048 -2.829 5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.828 -4.497 4.517 1.00 0.00 H new ATOM 606 N HIS A 43 7.929 0.518 1.418 1.00 0.00 N ATOM 607 CA HIS A 43 9.164 0.730 0.671 1.00 0.00 C ATOM 608 C HIS A 43 9.401 -0.405 -0.320 1.00 0.00 C ATOM 609 O HIS A 43 9.626 -1.550 0.073 1.00 0.00 O ATOM 610 CB HIS A 43 10.351 0.843 1.628 1.00 0.00 C ATOM 611 CG HIS A 43 10.276 2.031 2.537 1.00 0.00 C ATOM 612 ND1 HIS A 43 10.415 1.941 3.906 1.00 0.00 N ATOM 613 CD2 HIS A 43 10.077 3.342 2.267 1.00 0.00 C ATOM 614 CE1 HIS A 43 10.303 3.145 4.438 1.00 0.00 C ATOM 615 NE2 HIS A 43 10.098 4.013 3.465 1.00 0.00 N ATOM 0 H HIS A 43 8.053 0.449 2.428 1.00 0.00 H new ATOM 0 HA HIS A 43 9.067 1.661 0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.408 -0.063 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.272 0.898 1.047 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.929 3.779 1.291 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.368 3.379 5.490 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.975 5.019 3.584 1.00 0.00 H new ATOM 623 N VAL A 44 9.348 -0.081 -1.608 1.00 0.00 N ATOM 624 CA VAL A 44 9.557 -1.073 -2.656 1.00 0.00 C ATOM 625 C VAL A 44 10.753 -1.964 -2.338 1.00 0.00 C ATOM 626 O VAL A 44 10.833 -3.101 -2.800 1.00 0.00 O ATOM 627 CB VAL A 44 9.779 -0.405 -4.026 1.00 0.00 C ATOM 628 CG1 VAL A 44 10.290 -1.418 -5.038 1.00 0.00 C ATOM 629 CG2 VAL A 44 8.494 0.247 -4.514 1.00 0.00 C ATOM 0 H VAL A 44 9.162 0.861 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 44 8.654 -1.682 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 44 10.535 0.372 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.441 -0.927 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.236 -1.834 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.560 -2.220 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.668 0.714 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.716 -0.510 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.176 1.005 -3.798 1.00 0.00 H new ATOM 639 N GLY A 45 11.682 -1.438 -1.545 1.00 0.00 N ATOM 640 CA GLY A 45 12.861 -2.199 -1.178 1.00 0.00 C ATOM 641 C GLY A 45 12.732 -2.849 0.185 1.00 0.00 C ATOM 642 O GLY A 45 13.728 -3.070 0.874 1.00 0.00 O ATOM 0 H GLY A 45 11.639 -0.498 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.041 -2.969 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.730 -1.541 -1.182 1.00 0.00 H new ATOM 646 N CYS A 46 11.500 -3.155 0.578 1.00 0.00 N ATOM 647 CA CYS A 46 11.241 -3.782 1.869 1.00 0.00 C ATOM 648 C CYS A 46 10.398 -5.043 1.703 1.00 0.00 C ATOM 649 O CYS A 46 10.585 -6.026 2.419 1.00 0.00 O ATOM 650 CB CYS A 46 10.531 -2.800 2.803 1.00 0.00 C ATOM 651 SG CYS A 46 11.659 -1.760 3.785 1.00 0.00 S ATOM 0 H CYS A 46 10.664 -2.979 0.020 1.00 0.00 H new ATOM 0 HA CYS A 46 12.199 -4.062 2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.883 -2.155 2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.888 -3.361 3.481 1.00 0.00 H new ATOM 656 N VAL A 47 9.470 -5.006 0.752 1.00 0.00 N ATOM 657 CA VAL A 47 8.599 -6.146 0.490 1.00 0.00 C ATOM 658 C VAL A 47 8.860 -6.731 -0.894 1.00 0.00 C ATOM 659 O VAL A 47 9.071 -7.935 -1.040 1.00 0.00 O ATOM 660 CB VAL A 47 7.114 -5.753 0.597 1.00 0.00 C ATOM 661 CG1 VAL A 47 6.802 -5.216 1.986 1.00 0.00 C ATOM 662 CG2 VAL A 47 6.754 -4.732 -0.472 1.00 0.00 C ATOM 0 H VAL A 47 9.302 -4.200 0.151 1.00 0.00 H new ATOM 0 HA VAL A 47 8.824 -6.897 1.247 1.00 0.00 H new ATOM 0 HB VAL A 47 6.508 -6.644 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.748 -4.944 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.019 -5.983 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.415 -4.336 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.701 -4.466 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.366 -3.839 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.937 -5.158 -1.458 1.00 0.00 H new ATOM 672 N ILE A 48 8.846 -5.870 -1.906 1.00 0.00 N ATOM 673 CA ILE A 48 9.083 -6.301 -3.278 1.00 0.00 C ATOM 674 C ILE A 48 10.499 -6.840 -3.448 1.00 0.00 C ATOM 675 O ILE A 48 11.463 -6.250 -2.957 1.00 0.00 O ATOM 676 CB ILE A 48 8.860 -5.150 -4.276 1.00 0.00 C ATOM 677 CG1 ILE A 48 7.506 -4.484 -4.027 1.00 0.00 C ATOM 678 CG2 ILE A 48 8.949 -5.664 -5.705 1.00 0.00 C ATOM 679 CD1 ILE A 48 6.326 -5.368 -4.366 1.00 0.00 C ATOM 0 H ILE A 48 8.673 -4.870 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 48 8.367 -7.096 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 48 9.642 -4.405 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.441 -4.192 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.446 -3.570 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.789 -4.839 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.935 -6.096 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.186 -6.426 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.399 -4.831 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.366 -5.640 -5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.361 -6.271 -3.757 1.00 0.00 H new ATOM 691 N LEU A 49 10.619 -7.963 -4.148 1.00 0.00 N ATOM 692 CA LEU A 49 11.918 -8.582 -4.385 1.00 0.00 C ATOM 693 C LEU A 49 12.886 -7.589 -5.022 1.00 0.00 C ATOM 694 O LEU A 49 12.642 -7.056 -6.105 1.00 0.00 O ATOM 695 CB LEU A 49 11.764 -9.810 -5.284 1.00 0.00 C ATOM 696 CG LEU A 49 11.004 -9.593 -6.593 1.00 0.00 C ATOM 697 CD1 LEU A 49 11.507 -10.545 -7.666 1.00 0.00 C ATOM 698 CD2 LEU A 49 9.508 -9.771 -6.377 1.00 0.00 C ATOM 0 H LEU A 49 9.832 -8.463 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 49 12.326 -8.893 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.758 -10.187 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.255 -10.589 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 49 11.183 -8.572 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.955 -10.376 -8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.568 -10.369 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.359 -11.574 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.983 -9.613 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.310 -10.780 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.158 -9.047 -5.641 1.00 0.00 H new ATOM 710 N PRO A 50 14.011 -7.336 -4.338 1.00 0.00 N ATOM 711 CA PRO A 50 15.039 -6.409 -4.819 1.00 0.00 C ATOM 712 C PRO A 50 15.784 -6.950 -6.035 1.00 0.00 C ATOM 713 O PRO A 50 15.985 -8.158 -6.165 1.00 0.00 O ATOM 714 CB PRO A 50 15.987 -6.280 -3.625 1.00 0.00 C ATOM 715 CG PRO A 50 15.807 -7.544 -2.858 1.00 0.00 C ATOM 716 CD PRO A 50 14.366 -7.936 -3.041 1.00 0.00 C ATOM 0 HA PRO A 50 14.612 -5.461 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.020 -6.159 -3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.741 -5.410 -3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.474 -8.323 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.041 -7.398 -1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.243 -9.019 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.740 -7.552 -2.236 1.00 0.00 H new ATOM 724 N ASP A 51 16.191 -6.049 -6.922 1.00 0.00 N ATOM 725 CA ASP A 51 16.916 -6.437 -8.127 1.00 0.00 C ATOM 726 C ASP A 51 18.125 -5.532 -8.348 1.00 0.00 C ATOM 727 O ASP A 51 18.004 -4.441 -8.905 1.00 0.00 O ATOM 728 CB ASP A 51 15.992 -6.380 -9.344 1.00 0.00 C ATOM 729 CG ASP A 51 14.803 -7.312 -9.212 1.00 0.00 C ATOM 730 OD1 ASP A 51 14.258 -7.424 -8.094 1.00 0.00 O ATOM 731 OD2 ASP A 51 14.418 -7.929 -10.227 1.00 0.00 O ATOM 0 H ASP A 51 16.032 -5.046 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 51 17.269 -7.460 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.636 -5.359 -9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.557 -6.641 -10.238 1.00 0.00 H new ATOM 736 N LYS A 52 19.290 -5.993 -7.908 1.00 0.00 N ATOM 737 CA LYS A 52 20.522 -5.227 -8.058 1.00 0.00 C ATOM 738 C LYS A 52 21.011 -5.260 -9.502 1.00 0.00 C ATOM 739 O LYS A 52 21.108 -4.232 -10.173 1.00 0.00 O ATOM 740 CB LYS A 52 21.606 -5.779 -7.129 1.00 0.00 C ATOM 741 CG LYS A 52 21.695 -5.051 -5.799 1.00 0.00 C ATOM 742 CD LYS A 52 22.322 -5.925 -4.725 1.00 0.00 C ATOM 743 CE LYS A 52 21.788 -5.581 -3.344 1.00 0.00 C ATOM 744 NZ LYS A 52 22.692 -6.064 -2.263 1.00 0.00 N ATOM 0 H LYS A 52 19.408 -6.894 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 52 20.312 -4.192 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 52 21.410 -6.835 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 52 22.571 -5.717 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 52 22.284 -4.142 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.698 -4.745 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 52 22.119 -6.973 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.405 -5.800 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.667 -4.501 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.800 -6.024 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.293 -5.810 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.788 -7.098 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.627 -5.622 -2.370 1.00 0.00 H new ATOM 758 N PRO A 53 21.325 -6.467 -9.994 1.00 0.00 N ATOM 759 CA PRO A 53 21.807 -6.663 -11.365 1.00 0.00 C ATOM 760 C PRO A 53 20.718 -6.414 -12.403 1.00 0.00 C ATOM 761 O PRO A 53 20.928 -5.688 -13.374 1.00 0.00 O ATOM 762 CB PRO A 53 22.239 -8.131 -11.383 1.00 0.00 C ATOM 763 CG PRO A 53 21.425 -8.779 -10.317 1.00 0.00 C ATOM 764 CD PRO A 53 21.233 -7.735 -9.251 1.00 0.00 C ATOM 0 HA PRO A 53 22.606 -5.967 -11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.052 -8.587 -12.355 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.306 -8.232 -11.183 1.00 0.00 H new ATOM 0 HG2 PRO A 53 20.466 -9.117 -10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 53 21.933 -9.657 -9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 53 20.268 -7.841 -8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 53 21.999 -7.804 -8.478 1.00 0.00 H new ATOM 772 N MET A 54 19.556 -7.021 -12.191 1.00 0.00 N ATOM 773 CA MET A 54 18.433 -6.864 -13.109 1.00 0.00 C ATOM 774 C MET A 54 17.645 -5.597 -12.791 1.00 0.00 C ATOM 775 O MET A 54 16.513 -5.663 -12.311 1.00 0.00 O ATOM 776 CB MET A 54 17.512 -8.083 -13.037 1.00 0.00 C ATOM 777 CG MET A 54 16.403 -8.070 -14.076 1.00 0.00 C ATOM 778 SD MET A 54 17.032 -8.155 -15.764 1.00 0.00 S ATOM 779 CE MET A 54 16.135 -6.806 -16.528 1.00 0.00 C ATOM 0 H MET A 54 19.366 -7.626 -11.392 1.00 0.00 H new ATOM 0 HA MET A 54 18.832 -6.779 -14.120 1.00 0.00 H new ATOM 0 HB2 MET A 54 18.108 -8.986 -13.165 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.067 -8.133 -12.043 1.00 0.00 H new ATOM 0 HG2 MET A 54 15.734 -8.912 -13.899 1.00 0.00 H new ATOM 0 HG3 MET A 54 15.811 -7.163 -13.958 1.00 0.00 H new ATOM 0 HE1 MET A 54 15.929 -7.050 -17.570 1.00 0.00 H new ATOM 0 HE2 MET A 54 15.195 -6.648 -15.999 1.00 0.00 H new ATOM 0 HE3 MET A 54 16.735 -5.897 -16.480 1.00 0.00 H new ATOM 789 N ASP A 55 18.250 -4.446 -13.062 1.00 0.00 N ATOM 790 CA ASP A 55 17.604 -3.164 -12.805 1.00 0.00 C ATOM 791 C ASP A 55 16.635 -2.809 -13.929 1.00 0.00 C ATOM 792 O ASP A 55 16.936 -1.974 -14.781 1.00 0.00 O ATOM 793 CB ASP A 55 18.653 -2.061 -12.651 1.00 0.00 C ATOM 794 CG ASP A 55 19.782 -2.462 -11.723 1.00 0.00 C ATOM 795 OD1 ASP A 55 19.626 -2.299 -10.495 1.00 0.00 O ATOM 796 OD2 ASP A 55 20.822 -2.939 -12.225 1.00 0.00 O ATOM 0 H ASP A 55 19.187 -4.374 -13.459 1.00 0.00 H new ATOM 0 HA ASP A 55 17.040 -3.249 -11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 55 19.062 -1.813 -13.630 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.175 -1.159 -12.268 1.00 0.00 H new ATOM 801 N GLY A 56 15.471 -3.450 -13.925 1.00 0.00 N ATOM 802 CA GLY A 56 14.476 -3.190 -14.950 1.00 0.00 C ATOM 803 C GLY A 56 13.280 -4.114 -14.845 1.00 0.00 C ATOM 804 O GLY A 56 12.511 -4.038 -13.888 1.00 0.00 O ATOM 0 H GLY A 56 15.198 -4.145 -13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.140 -2.156 -14.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.933 -3.303 -15.933 1.00 0.00 H new ATOM 808 N ASN A 57 13.121 -4.988 -15.833 1.00 0.00 N ATOM 809 CA ASN A 57 12.007 -5.930 -15.849 1.00 0.00 C ATOM 810 C ASN A 57 12.421 -7.272 -15.255 1.00 0.00 C ATOM 811 O ASN A 57 13.587 -7.666 -15.300 1.00 0.00 O ATOM 812 CB ASN A 57 11.500 -6.127 -17.279 1.00 0.00 C ATOM 813 CG ASN A 57 12.346 -7.112 -18.062 1.00 0.00 C ATOM 814 OD1 ASN A 57 13.570 -6.995 -18.109 1.00 0.00 O ATOM 815 ND2 ASN A 57 11.695 -8.090 -18.681 1.00 0.00 N ATOM 0 H ASN A 57 13.749 -5.064 -16.633 1.00 0.00 H new ATOM 0 HA ASN A 57 11.204 -5.516 -15.239 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.469 -6.480 -17.251 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.494 -5.167 -17.795 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.211 -8.783 -19.223 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.679 -8.148 -18.615 1.00 0.00 H new ATOM 822 N PRO A 58 11.445 -7.993 -14.684 1.00 0.00 N ATOM 823 CA PRO A 58 10.054 -7.534 -14.623 1.00 0.00 C ATOM 824 C PRO A 58 9.874 -6.355 -13.673 1.00 0.00 C ATOM 825 O PRO A 58 10.446 -6.311 -12.583 1.00 0.00 O ATOM 826 CB PRO A 58 9.298 -8.759 -14.103 1.00 0.00 C ATOM 827 CG PRO A 58 10.316 -9.539 -13.345 1.00 0.00 C ATOM 828 CD PRO A 58 11.624 -9.311 -14.052 1.00 0.00 C ATOM 0 HA PRO A 58 9.700 -7.177 -15.590 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.465 -8.468 -13.463 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.881 -9.344 -14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.370 -9.207 -12.308 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.062 -10.599 -13.327 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.463 -9.312 -13.356 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.822 -10.087 -14.791 1.00 0.00 H new ATOM 836 N PRO A 59 9.060 -5.374 -14.092 1.00 0.00 N ATOM 837 CA PRO A 59 8.785 -4.177 -13.293 1.00 0.00 C ATOM 838 C PRO A 59 7.941 -4.484 -12.061 1.00 0.00 C ATOM 839 O PRO A 59 7.725 -5.647 -11.717 1.00 0.00 O ATOM 840 CB PRO A 59 8.014 -3.275 -14.259 1.00 0.00 C ATOM 841 CG PRO A 59 7.386 -4.211 -15.233 1.00 0.00 C ATOM 842 CD PRO A 59 8.346 -5.360 -15.380 1.00 0.00 C ATOM 0 HA PRO A 59 9.699 -3.726 -12.906 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.262 -2.686 -13.735 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.679 -2.571 -14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.416 -4.556 -14.874 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.215 -3.720 -16.191 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.824 -6.300 -15.560 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.029 -5.209 -16.216 1.00 0.00 H new ATOM 850 N LEU A 60 7.464 -3.435 -11.400 1.00 0.00 N ATOM 851 CA LEU A 60 6.642 -3.593 -10.205 1.00 0.00 C ATOM 852 C LEU A 60 5.379 -4.391 -10.515 1.00 0.00 C ATOM 853 O LEU A 60 4.788 -4.271 -11.588 1.00 0.00 O ATOM 854 CB LEU A 60 6.267 -2.223 -9.636 1.00 0.00 C ATOM 855 CG LEU A 60 7.430 -1.352 -9.161 1.00 0.00 C ATOM 856 CD1 LEU A 60 6.986 0.094 -9.005 1.00 0.00 C ATOM 857 CD2 LEU A 60 7.994 -1.883 -7.851 1.00 0.00 C ATOM 0 H LEU A 60 7.632 -2.466 -11.671 1.00 0.00 H new ATOM 0 HA LEU A 60 7.223 -4.141 -9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.716 -1.673 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.586 -2.374 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 60 8.217 -1.389 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.827 0.698 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.631 0.471 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.181 0.150 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.821 -1.251 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.214 -1.877 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.352 -2.902 -7.996 1.00 0.00 H new ATOM 869 N PRO A 61 4.954 -5.223 -9.553 1.00 0.00 N ATOM 870 CA PRO A 61 3.756 -6.055 -9.698 1.00 0.00 C ATOM 871 C PRO A 61 2.473 -5.230 -9.688 1.00 0.00 C ATOM 872 O PRO A 61 2.125 -4.621 -8.677 1.00 0.00 O ATOM 873 CB PRO A 61 3.811 -6.973 -8.475 1.00 0.00 C ATOM 874 CG PRO A 61 4.604 -6.215 -7.467 1.00 0.00 C ATOM 875 CD PRO A 61 5.610 -5.416 -8.249 1.00 0.00 C ATOM 0 HA PRO A 61 3.743 -6.589 -10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.811 -7.198 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.284 -7.925 -8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.962 -5.562 -6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.099 -6.892 -6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.831 -4.464 -7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.555 -5.949 -8.350 1.00 0.00 H new ATOM 883 N GLU A 62 1.775 -5.217 -10.819 1.00 0.00 N ATOM 884 CA GLU A 62 0.530 -4.467 -10.938 1.00 0.00 C ATOM 885 C GLU A 62 -0.301 -4.585 -9.664 1.00 0.00 C ATOM 886 O GLU A 62 -0.950 -3.627 -9.242 1.00 0.00 O ATOM 887 CB GLU A 62 -0.280 -4.966 -12.136 1.00 0.00 C ATOM 888 CG GLU A 62 -1.043 -6.251 -11.862 1.00 0.00 C ATOM 889 CD GLU A 62 -0.153 -7.478 -11.899 1.00 0.00 C ATOM 890 OE1 GLU A 62 0.813 -7.533 -11.109 1.00 0.00 O ATOM 891 OE2 GLU A 62 -0.421 -8.382 -12.718 1.00 0.00 O ATOM 0 H GLU A 62 2.050 -5.716 -11.665 1.00 0.00 H new ATOM 0 HA GLU A 62 0.782 -3.418 -11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.986 -4.191 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.393 -5.126 -12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.522 -6.183 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.838 -6.361 -12.600 1.00 0.00 H new ATOM 898 N SER A 63 -0.277 -5.766 -9.056 1.00 0.00 N ATOM 899 CA SER A 63 -1.031 -6.012 -7.832 1.00 0.00 C ATOM 900 C SER A 63 -0.122 -6.557 -6.734 1.00 0.00 C ATOM 901 O SER A 63 0.547 -7.575 -6.915 1.00 0.00 O ATOM 902 CB SER A 63 -2.172 -6.995 -8.100 1.00 0.00 C ATOM 903 OG SER A 63 -1.686 -8.321 -8.218 1.00 0.00 O ATOM 0 H SER A 63 0.257 -6.568 -9.391 1.00 0.00 H new ATOM 0 HA SER A 63 -1.450 -5.064 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.900 -6.942 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.692 -6.712 -9.015 1.00 0.00 H new ATOM 0 HG SER A 63 -0.729 -8.338 -8.009 1.00 0.00 H new ATOM 909 N PHE A 64 -0.104 -5.873 -5.595 1.00 0.00 N ATOM 910 CA PHE A 64 0.722 -6.286 -4.468 1.00 0.00 C ATOM 911 C PHE A 64 -0.073 -6.243 -3.166 1.00 0.00 C ATOM 912 O PHE A 64 -0.995 -5.441 -3.015 1.00 0.00 O ATOM 913 CB PHE A 64 1.956 -5.388 -4.355 1.00 0.00 C ATOM 914 CG PHE A 64 2.638 -5.471 -3.020 1.00 0.00 C ATOM 915 CD1 PHE A 64 3.282 -6.634 -2.627 1.00 0.00 C ATOM 916 CD2 PHE A 64 2.636 -4.387 -2.157 1.00 0.00 C ATOM 917 CE1 PHE A 64 3.911 -6.714 -1.400 1.00 0.00 C ATOM 918 CE2 PHE A 64 3.265 -4.461 -0.928 1.00 0.00 C ATOM 919 CZ PHE A 64 3.902 -5.627 -0.548 1.00 0.00 C ATOM 0 H PHE A 64 -0.653 -5.029 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 64 1.044 -7.313 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.667 -5.661 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.662 -4.355 -4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.292 -7.488 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.138 -3.474 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.410 -7.626 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.259 -3.608 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.392 -5.688 0.413 1.00 0.00 H new ATOM 929 N TYR A 65 0.291 -7.111 -2.229 1.00 0.00 N ATOM 930 CA TYR A 65 -0.390 -7.175 -0.941 1.00 0.00 C ATOM 931 C TYR A 65 0.609 -7.076 0.209 1.00 0.00 C ATOM 932 O TYR A 65 1.555 -7.859 0.295 1.00 0.00 O ATOM 933 CB TYR A 65 -1.188 -8.475 -0.826 1.00 0.00 C ATOM 934 CG TYR A 65 -2.526 -8.427 -1.529 1.00 0.00 C ATOM 935 CD1 TYR A 65 -3.480 -7.477 -1.187 1.00 0.00 C ATOM 936 CD2 TYR A 65 -2.836 -9.333 -2.536 1.00 0.00 C ATOM 937 CE1 TYR A 65 -4.703 -7.431 -1.826 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.056 -9.293 -3.182 1.00 0.00 C ATOM 939 CZ TYR A 65 -4.987 -8.340 -2.823 1.00 0.00 C ATOM 940 OH TYR A 65 -6.204 -8.298 -3.463 1.00 0.00 O ATOM 0 H TYR A 65 1.053 -7.780 -2.337 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.075 -6.329 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.598 -9.292 -1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.348 -8.701 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.261 -6.762 -0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.110 -10.081 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.434 -6.687 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.280 -10.004 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.243 -9.006 -4.139 1.00 0.00 H new ATOM 950 N CYS A 66 0.391 -6.106 1.090 1.00 0.00 N ATOM 951 CA CYS A 66 1.270 -5.901 2.236 1.00 0.00 C ATOM 952 C CYS A 66 1.322 -7.150 3.111 1.00 0.00 C ATOM 953 O CYS A 66 0.732 -8.177 2.779 1.00 0.00 O ATOM 954 CB CYS A 66 0.795 -4.704 3.062 1.00 0.00 C ATOM 955 SG CYS A 66 -0.784 -4.978 3.928 1.00 0.00 S ATOM 0 H CYS A 66 -0.387 -5.449 1.033 1.00 0.00 H new ATOM 0 HA CYS A 66 2.274 -5.699 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.561 -4.456 3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.692 -3.841 2.405 1.00 0.00 H new ATOM 960 N GLU A 67 2.031 -7.051 4.231 1.00 0.00 N ATOM 961 CA GLU A 67 2.160 -8.173 5.154 1.00 0.00 C ATOM 962 C GLU A 67 0.865 -8.387 5.934 1.00 0.00 C ATOM 963 O GLU A 67 0.612 -9.477 6.449 1.00 0.00 O ATOM 964 CB GLU A 67 3.318 -7.934 6.125 1.00 0.00 C ATOM 965 CG GLU A 67 3.039 -6.849 7.151 1.00 0.00 C ATOM 966 CD GLU A 67 2.388 -7.390 8.409 1.00 0.00 C ATOM 967 OE1 GLU A 67 2.378 -8.625 8.588 1.00 0.00 O ATOM 968 OE2 GLU A 67 1.888 -6.576 9.214 1.00 0.00 O ATOM 0 H GLU A 67 2.524 -6.207 4.521 1.00 0.00 H new ATOM 0 HA GLU A 67 2.365 -9.069 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.542 -8.865 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.208 -7.664 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.974 -6.354 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.391 -6.093 6.708 1.00 0.00 H new ATOM 975 N ILE A 68 0.051 -7.340 6.017 1.00 0.00 N ATOM 976 CA ILE A 68 -1.216 -7.414 6.732 1.00 0.00 C ATOM 977 C ILE A 68 -2.284 -8.103 5.890 1.00 0.00 C ATOM 978 O ILE A 68 -3.215 -8.709 6.422 1.00 0.00 O ATOM 979 CB ILE A 68 -1.719 -6.014 7.133 1.00 0.00 C ATOM 980 CG1 ILE A 68 -0.607 -5.231 7.835 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.943 -6.126 8.029 1.00 0.00 C ATOM 982 CD1 ILE A 68 -0.746 -3.731 7.698 1.00 0.00 C ATOM 0 H ILE A 68 0.247 -6.431 5.598 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.035 -7.999 7.634 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.004 -5.474 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.602 -5.492 8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.356 -5.537 7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.286 -5.128 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.737 -6.649 7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.684 -6.681 8.931 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.076 -3.240 8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.721 -3.458 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.693 -3.412 8.133 1.00 0.00 H new ATOM 994 N CYS A 69 -2.144 -8.007 4.572 1.00 0.00 N ATOM 995 CA CYS A 69 -3.095 -8.622 3.654 1.00 0.00 C ATOM 996 C CYS A 69 -2.637 -10.022 3.254 1.00 0.00 C ATOM 997 O CYS A 69 -3.433 -10.961 3.223 1.00 0.00 O ATOM 998 CB CYS A 69 -3.266 -7.753 2.406 1.00 0.00 C ATOM 999 SG CYS A 69 -4.277 -6.261 2.672 1.00 0.00 S ATOM 0 H CYS A 69 -1.380 -7.509 4.116 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.054 -8.705 4.165 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.281 -7.453 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.722 -8.353 1.618 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.350 -10.153 2.950 1.00 0.00 N ATOM 1005 CA ARG A 70 -0.787 -11.437 2.551 1.00 0.00 C ATOM 1006 C ARG A 70 -0.990 -12.483 3.643 1.00 0.00 C ATOM 1007 O ARG A 70 -1.153 -13.670 3.359 1.00 0.00 O ATOM 1008 CB ARG A 70 0.704 -11.290 2.241 1.00 0.00 C ATOM 1009 CG ARG A 70 1.564 -11.071 3.475 1.00 0.00 C ATOM 1010 CD ARG A 70 2.001 -12.392 4.090 1.00 0.00 C ATOM 1011 NE ARG A 70 3.052 -12.209 5.088 1.00 0.00 N ATOM 1012 CZ ARG A 70 4.339 -12.088 4.786 1.00 0.00 C ATOM 1013 NH1 ARG A 70 4.734 -12.130 3.521 1.00 0.00 N ATOM 1014 NH2 ARG A 70 5.236 -11.924 5.751 1.00 0.00 N ATOM 0 H ARG A 70 -0.678 -9.386 2.972 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.307 -11.770 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.049 -12.185 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.844 -10.452 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.443 -10.484 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.006 -10.492 4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.142 -12.878 4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.359 -13.057 3.304 1.00 0.00 H new ATOM 0 HE ARG A 70 2.782 -12.172 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.048 -12.256 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.724 -12.037 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.936 -11.891 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.225 -11.831 5.518 1.00 0.00 H new ATOM 1028 N LEU A 71 -0.977 -12.034 4.894 1.00 0.00 N ATOM 1029 CA LEU A 71 -1.159 -12.931 6.030 1.00 0.00 C ATOM 1030 C LEU A 71 -2.544 -13.568 6.004 1.00 0.00 C ATOM 1031 O LEU A 71 -2.706 -14.742 6.340 1.00 0.00 O ATOM 1032 CB LEU A 71 -0.959 -12.170 7.342 1.00 0.00 C ATOM 1033 CG LEU A 71 -2.213 -11.539 7.949 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -2.951 -12.546 8.817 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -1.849 -10.301 8.757 1.00 0.00 C ATOM 0 H LEU A 71 -0.842 -11.055 5.147 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.414 -13.724 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.530 -12.854 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.225 -11.382 7.174 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.874 -11.237 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.840 -12.079 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.245 -13.403 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.298 -12.879 9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.753 -9.865 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.168 -10.579 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.365 -9.572 8.107 1.00 0.00 H new ATOM 1047 N THR A 72 -3.542 -12.788 5.601 1.00 0.00 N ATOM 1048 CA THR A 72 -4.914 -13.276 5.530 1.00 0.00 C ATOM 1049 C THR A 72 -5.140 -14.098 4.267 1.00 0.00 C ATOM 1050 O THR A 72 -5.764 -13.632 3.315 1.00 0.00 O ATOM 1051 CB THR A 72 -5.925 -12.115 5.561 1.00 0.00 C ATOM 1052 OG1 THR A 72 -5.579 -11.137 4.574 1.00 0.00 O ATOM 1053 CG2 THR A 72 -5.961 -11.465 6.936 1.00 0.00 C ATOM 0 H THR A 72 -3.426 -11.815 5.319 1.00 0.00 H new ATOM 0 HA THR A 72 -5.071 -13.908 6.404 1.00 0.00 H new ATOM 0 HB THR A 72 -6.914 -12.518 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.870 -11.491 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.682 -10.648 6.933 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.254 -12.205 7.681 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.973 -11.076 7.180 1.00 0.00 H new ATOM 1061 N SER A 73 -4.629 -15.325 4.266 1.00 0.00 N ATOM 1062 CA SER A 73 -4.773 -16.213 3.118 1.00 0.00 C ATOM 1063 C SER A 73 -4.725 -17.675 3.551 1.00 0.00 C ATOM 1064 O SER A 73 -4.218 -17.999 4.625 1.00 0.00 O ATOM 1065 CB SER A 73 -3.671 -15.937 2.092 1.00 0.00 C ATOM 1066 OG SER A 73 -3.926 -14.738 1.381 1.00 0.00 O ATOM 0 H SER A 73 -4.111 -15.727 5.048 1.00 0.00 H new ATOM 0 HA SER A 73 -5.743 -16.020 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.708 -15.866 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.603 -16.771 1.393 1.00 0.00 H new ATOM 0 HG SER A 73 -4.641 -14.239 1.827 1.00 0.00 H new ATOM 1072 N GLY A 74 -5.257 -18.553 2.707 1.00 0.00 N ATOM 1073 CA GLY A 74 -5.265 -19.971 3.020 1.00 0.00 C ATOM 1074 C GLY A 74 -6.450 -20.368 3.879 1.00 0.00 C ATOM 1075 O GLY A 74 -7.508 -19.740 3.842 1.00 0.00 O ATOM 0 H GLY A 74 -5.682 -18.309 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.283 -20.545 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.342 -20.231 3.537 1.00 0.00 H new ATOM 1079 N PRO A 75 -6.278 -21.435 4.673 1.00 0.00 N ATOM 1080 CA PRO A 75 -7.331 -21.940 5.559 1.00 0.00 C ATOM 1081 C PRO A 75 -7.611 -20.996 6.723 1.00 0.00 C ATOM 1082 O PRO A 75 -7.017 -19.923 6.821 1.00 0.00 O ATOM 1083 CB PRO A 75 -6.760 -23.265 6.070 1.00 0.00 C ATOM 1084 CG PRO A 75 -5.282 -23.105 5.967 1.00 0.00 C ATOM 1085 CD PRO A 75 -5.043 -22.231 4.767 1.00 0.00 C ATOM 0 HA PRO A 75 -8.285 -22.043 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.067 -23.458 7.098 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.110 -24.105 5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.875 -22.649 6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.792 -24.072 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.166 -21.598 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.876 -22.822 3.866 1.00 0.00 H new ATOM 1093 N SER A 76 -8.519 -21.404 7.604 1.00 0.00 N ATOM 1094 CA SER A 76 -8.880 -20.592 8.761 1.00 0.00 C ATOM 1095 C SER A 76 -8.665 -21.368 10.057 1.00 0.00 C ATOM 1096 O SER A 76 -9.587 -21.999 10.575 1.00 0.00 O ATOM 1097 CB SER A 76 -10.338 -20.141 8.659 1.00 0.00 C ATOM 1098 OG SER A 76 -10.462 -19.005 7.820 1.00 0.00 O ATOM 0 H SER A 76 -9.018 -22.291 7.539 1.00 0.00 H new ATOM 0 HA SER A 76 -8.235 -19.713 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.947 -20.955 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.720 -19.907 9.653 1.00 0.00 H new ATOM 0 HG SER A 76 -11.403 -18.737 7.769 1.00 0.00 H new ATOM 1104 N SER A 77 -7.443 -21.316 10.575 1.00 0.00 N ATOM 1105 CA SER A 77 -7.105 -22.016 11.809 1.00 0.00 C ATOM 1106 C SER A 77 -8.066 -21.635 12.931 1.00 0.00 C ATOM 1107 O SER A 77 -8.851 -20.698 12.799 1.00 0.00 O ATOM 1108 CB SER A 77 -5.667 -21.698 12.223 1.00 0.00 C ATOM 1109 OG SER A 77 -5.553 -20.364 12.687 1.00 0.00 O ATOM 0 H SER A 77 -6.670 -20.796 10.160 1.00 0.00 H new ATOM 0 HA SER A 77 -7.194 -23.087 11.626 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.350 -22.387 13.006 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.999 -21.850 11.375 1.00 0.00 H new ATOM 0 HG SER A 77 -4.625 -20.186 12.947 1.00 0.00 H new ATOM 1115 N GLY A 78 -7.996 -22.370 14.036 1.00 0.00 N ATOM 1116 CA GLY A 78 -8.864 -22.095 15.166 1.00 0.00 C ATOM 1117 C GLY A 78 -8.463 -20.839 15.913 1.00 0.00 C ATOM 1118 O GLY A 78 -9.125 -19.814 15.760 1.00 0.00 O ATOM 0 H GLY A 78 -7.354 -23.151 14.169 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.891 -21.993 14.815 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.844 -22.943 15.850 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 10.237 -0.213 4.884 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.691 -4.552 2.664 1.00 0.00 ZN