USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 784 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 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 40 ASN : amide:sc= -1.73 K(o=-5.2,f=-12!) USER MOD Set 1.2: A 61 HIS :FLIP no HE2:sc= -4.06! C(o=-6.8!,f=-5.2!) USER MOD Set 1.3: A 72 THR OG1 : rot -155:sc= 0.659 USER MOD Set 1.4: A 74 THR OG1 : rot -142:sc= -0.0741 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0.608 USER MOD Set 2.2: A 62 LYS NZ :NH3+ -116:sc= -2.79! (180deg=-3.94!) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -115:sc= -4.83! (180deg=-9.76!) USER MOD Set 3.2: A 102 THR OG1 : rot 90:sc= 0.341 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 133:sc= 1.84! (180deg=-3.08) USER MOD Set 4.2: A 34 ASN : amide:sc= -0.246 K(o=1.6,f=-15!) USER MOD Set 5.1: A 3 TYR OH : rot 30:sc= 0.931 USER MOD Set 5.2: A 24 LYS NZ :NH3+ 142:sc= 1.4 (180deg=-4.46!) USER MOD Set 6.1: A 1 GLU N :NH3+ -155:sc= -0.0392! (180deg=-4.35!) USER MOD Set 6.2: A 28 THR OG1 : rot -59:sc= 1.76 USER MOD Set 6.3: A 75 THR OG1 : rot -62:sc= 1.32 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 4 THR OG1 : rot -67:sc= 0.88 USER MOD Single : A 9 SER OG : rot 161:sc= -0.751 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.0784 USER MOD Single : A 33 ASN : amide:sc= -1.78! C(o=-1.8!,f=-6!) USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 0.86 (180deg=-2.96!) USER MOD Single : A 48 ASN : amide:sc= -0.613 K(o=-0.61,f=-3.6) USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 2.42 (180deg=0.0274) USER MOD Single : A 52 SER OG : rot 80:sc= 1.05 USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= -0.131 (180deg=-0.875) USER MOD Single : A 60 SER OG : rot 121:sc= 0.389 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -177:sc= -0.463 (180deg=-0.478) USER MOD Single : A 67 SER OG : rot 160:sc= -0.147 USER MOD Single : A 70 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.5) USER MOD Single : A 71 SER OG : rot 141:sc= 0.432 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 155:sc= 0.943 USER MOD Single : A 86 THR OG1 : rot -65:sc= -1.47! USER MOD Single : A 88 TYR OH : rot 15:sc= -0.964! USER MOD Single : A 97 MET CE :methyl 143:sc= -2.67 (180deg=-5.58!) USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= -3.48! (180deg=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -1.257 -6.615 -17.159 1.00 0.00 N ATOM 2 CA GLU A 1 -2.320 -5.589 -17.448 1.00 0.00 C ATOM 3 C GLU A 1 -2.258 -4.253 -16.636 1.00 0.00 C ATOM 4 O GLU A 1 -3.096 -4.000 -15.804 1.00 0.00 O ATOM 5 CB GLU A 1 -3.738 -6.240 -17.244 1.00 0.00 C ATOM 6 CG GLU A 1 -3.966 -7.413 -18.263 1.00 0.00 C ATOM 7 CD GLU A 1 -2.952 -8.506 -18.060 1.00 0.00 C ATOM 8 OE1 GLU A 1 -3.193 -9.290 -17.173 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.993 -8.444 -18.791 1.00 0.00 O ATOM 0 H1 GLU A 1 -1.131 -7.227 -17.990 1.00 0.00 H new ATOM 0 H2 GLU A 1 -0.360 -6.134 -16.943 1.00 0.00 H new ATOM 0 H3 GLU A 1 -1.545 -7.193 -16.344 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.129 -5.293 -18.480 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -3.827 -6.616 -16.225 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.512 -5.484 -17.374 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -4.971 -7.817 -18.140 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -3.898 -7.033 -19.282 1.00 0.00 H new ATOM 18 N THR A 2 -1.301 -3.400 -16.871 1.00 0.00 N ATOM 19 CA THR A 2 -1.122 -2.066 -16.153 1.00 0.00 C ATOM 20 C THR A 2 -2.390 -1.277 -15.774 1.00 0.00 C ATOM 21 O THR A 2 -2.822 -0.394 -16.481 1.00 0.00 O ATOM 22 CB THR A 2 -0.211 -1.163 -17.018 1.00 0.00 C ATOM 23 OG1 THR A 2 0.718 -2.077 -17.587 1.00 0.00 O ATOM 24 CG2 THR A 2 0.770 -0.427 -16.144 1.00 0.00 C ATOM 0 H THR A 2 -0.582 -3.570 -17.574 1.00 0.00 H new ATOM 0 HA THR A 2 -0.690 -2.338 -15.190 1.00 0.00 H new ATOM 0 HB THR A 2 -0.827 -0.528 -17.654 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.345 -1.591 -18.162 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.406 0.205 -16.763 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.228 0.193 -15.430 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.388 -1.146 -15.605 1.00 0.00 H new ATOM 32 N TYR A 3 -2.958 -1.636 -14.655 1.00 0.00 N ATOM 33 CA TYR A 3 -4.200 -0.943 -14.151 1.00 0.00 C ATOM 34 C TYR A 3 -3.823 0.339 -13.336 1.00 0.00 C ATOM 35 O TYR A 3 -2.942 0.307 -12.499 1.00 0.00 O ATOM 36 CB TYR A 3 -4.982 -1.937 -13.247 1.00 0.00 C ATOM 37 CG TYR A 3 -5.403 -3.200 -14.007 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.304 -3.139 -15.045 1.00 0.00 C ATOM 39 CD2 TYR A 3 -4.883 -4.424 -13.661 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.683 -4.283 -15.730 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.265 -5.557 -14.347 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.160 -5.504 -15.382 1.00 0.00 C ATOM 43 OH TYR A 3 -6.521 -6.647 -16.069 1.00 0.00 O ATOM 0 H TYR A 3 -2.618 -2.387 -14.055 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.817 -0.636 -14.996 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.362 -2.217 -12.396 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.868 -1.443 -12.847 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.722 -2.185 -15.331 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.174 -4.498 -12.850 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.393 -4.214 -16.541 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.848 -6.511 -14.061 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.736 -6.417 -16.997 1.00 0.00 H new ATOM 53 N THR A 4 -4.505 1.413 -13.607 1.00 0.00 N ATOM 54 CA THR A 4 -4.288 2.755 -12.926 1.00 0.00 C ATOM 55 C THR A 4 -4.612 2.917 -11.425 1.00 0.00 C ATOM 56 O THR A 4 -5.754 3.150 -11.074 1.00 0.00 O ATOM 57 CB THR A 4 -5.106 3.829 -13.665 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.832 3.642 -15.038 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.563 5.229 -13.452 1.00 0.00 C ATOM 0 H THR A 4 -5.246 1.432 -14.307 1.00 0.00 H new ATOM 0 HA THR A 4 -3.204 2.853 -12.980 1.00 0.00 H new ATOM 0 HB THR A 4 -6.139 3.740 -13.330 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.895 3.867 -15.218 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.179 5.945 -13.996 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.582 5.469 -12.389 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.537 5.281 -13.818 1.00 0.00 H new ATOM 67 N VAL A 5 -3.644 2.792 -10.555 1.00 0.00 N ATOM 68 CA VAL A 5 -3.920 2.959 -9.079 1.00 0.00 C ATOM 69 C VAL A 5 -3.256 4.293 -8.633 1.00 0.00 C ATOM 70 O VAL A 5 -2.193 4.679 -9.091 1.00 0.00 O ATOM 71 CB VAL A 5 -3.331 1.727 -8.287 1.00 0.00 C ATOM 72 CG1 VAL A 5 -1.820 1.611 -8.394 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.653 1.839 -6.787 1.00 0.00 C ATOM 0 H VAL A 5 -2.674 2.582 -10.792 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.990 2.995 -8.874 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.795 0.852 -8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.481 0.744 -7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.537 1.494 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.357 2.512 -7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.238 0.980 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.216 2.755 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.734 1.862 -6.648 1.00 0.00 H new ATOM 83 N LYS A 6 -3.894 4.988 -7.737 1.00 0.00 N ATOM 84 CA LYS A 6 -3.336 6.306 -7.245 1.00 0.00 C ATOM 85 C LYS A 6 -3.165 6.438 -5.694 1.00 0.00 C ATOM 86 O LYS A 6 -3.739 5.676 -4.942 1.00 0.00 O ATOM 87 CB LYS A 6 -4.311 7.326 -7.883 1.00 0.00 C ATOM 88 CG LYS A 6 -3.707 8.729 -7.955 1.00 0.00 C ATOM 89 CD LYS A 6 -4.714 9.640 -8.743 1.00 0.00 C ATOM 90 CE LYS A 6 -5.957 9.967 -7.924 1.00 0.00 C ATOM 91 NZ LYS A 6 -5.482 10.662 -6.709 1.00 0.00 N ATOM 0 H LYS A 6 -4.780 4.712 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.298 6.455 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.577 6.994 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.233 7.358 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.536 9.124 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.740 8.704 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.216 10.566 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.010 9.139 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.641 10.599 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.502 9.059 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.058 11.513 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.566 10.026 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.487 10.937 -6.833 1.00 0.00 H new ATOM 105 N LEU A 7 -2.372 7.390 -5.267 1.00 0.00 N ATOM 106 CA LEU A 7 -2.110 7.636 -3.806 1.00 0.00 C ATOM 107 C LEU A 7 -2.577 8.989 -3.168 1.00 0.00 C ATOM 108 O LEU A 7 -1.814 9.703 -2.534 1.00 0.00 O ATOM 109 CB LEU A 7 -0.611 7.422 -3.713 1.00 0.00 C ATOM 110 CG LEU A 7 0.258 8.525 -4.380 1.00 0.00 C ATOM 111 CD1 LEU A 7 1.295 7.838 -5.266 1.00 0.00 C ATOM 112 CD2 LEU A 7 -0.416 9.620 -5.215 1.00 0.00 C ATOM 0 H LEU A 7 -1.878 8.030 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.727 6.968 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.335 7.351 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.368 6.464 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 7 0.651 9.073 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.919 8.591 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.919 7.185 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.788 7.247 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.342 10.301 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.953 9.164 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.117 10.174 -4.591 1.00 0.00 H new ATOM 124 N GLY A 8 -3.820 9.335 -3.329 1.00 0.00 N ATOM 125 CA GLY A 8 -4.348 10.631 -2.747 1.00 0.00 C ATOM 126 C GLY A 8 -5.196 11.524 -3.667 1.00 0.00 C ATOM 127 O GLY A 8 -4.663 12.349 -4.384 1.00 0.00 O ATOM 0 H GLY A 8 -4.510 8.783 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.946 10.387 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.497 11.216 -2.400 1.00 0.00 H new ATOM 131 N SER A 9 -6.482 11.322 -3.616 1.00 0.00 N ATOM 132 CA SER A 9 -7.521 12.083 -4.426 1.00 0.00 C ATOM 133 C SER A 9 -7.092 13.263 -5.341 1.00 0.00 C ATOM 134 O SER A 9 -6.822 13.076 -6.515 1.00 0.00 O ATOM 135 CB SER A 9 -8.607 12.584 -3.414 1.00 0.00 C ATOM 136 OG SER A 9 -7.891 13.301 -2.402 1.00 0.00 O ATOM 0 H SER A 9 -6.896 10.615 -3.008 1.00 0.00 H new ATOM 0 HA SER A 9 -7.855 11.356 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.336 13.227 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.159 11.747 -2.985 1.00 0.00 H new ATOM 0 HG SER A 9 -8.509 13.887 -1.917 1.00 0.00 H new ATOM 142 N ASP A 10 -7.039 14.419 -4.766 1.00 0.00 N ATOM 143 CA ASP A 10 -6.660 15.697 -5.437 1.00 0.00 C ATOM 144 C ASP A 10 -5.372 16.279 -4.757 1.00 0.00 C ATOM 145 O ASP A 10 -4.252 15.856 -4.978 1.00 0.00 O ATOM 146 CB ASP A 10 -7.990 16.541 -5.287 1.00 0.00 C ATOM 147 CG ASP A 10 -8.307 16.852 -3.831 1.00 0.00 C ATOM 148 OD1 ASP A 10 -8.404 15.950 -3.035 1.00 0.00 O ATOM 149 OD2 ASP A 10 -8.404 18.030 -3.579 1.00 0.00 O ATOM 0 H ASP A 10 -7.260 14.544 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.367 15.645 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.893 17.473 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.820 15.991 -5.729 1.00 0.00 H new ATOM 154 N LYS A 11 -5.597 17.248 -3.925 1.00 0.00 N ATOM 155 CA LYS A 11 -4.576 17.975 -3.134 1.00 0.00 C ATOM 156 C LYS A 11 -4.751 17.482 -1.660 1.00 0.00 C ATOM 157 O LYS A 11 -3.812 17.407 -0.891 1.00 0.00 O ATOM 158 CB LYS A 11 -4.867 19.499 -3.319 1.00 0.00 C ATOM 159 CG LYS A 11 -5.962 20.019 -2.328 1.00 0.00 C ATOM 160 CD LYS A 11 -6.695 21.244 -2.946 1.00 0.00 C ATOM 161 CE LYS A 11 -7.835 20.707 -3.800 1.00 0.00 C ATOM 162 NZ LYS A 11 -8.479 21.845 -4.519 1.00 0.00 N ATOM 0 H LYS A 11 -6.540 17.594 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.544 17.798 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.947 20.063 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.190 19.683 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.678 19.225 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.503 20.299 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.077 21.898 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.009 21.837 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.458 19.975 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.566 20.195 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.260 21.488 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.850 22.527 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.777 22.314 -5.126 1.00 0.00 H new ATOM 176 N GLY A 12 -5.955 17.112 -1.296 1.00 0.00 N ATOM 177 CA GLY A 12 -6.219 16.638 0.118 1.00 0.00 C ATOM 178 C GLY A 12 -5.915 15.203 0.571 1.00 0.00 C ATOM 179 O GLY A 12 -4.814 14.942 1.016 1.00 0.00 O ATOM 0 H GLY A 12 -6.771 17.114 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.660 17.300 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.277 16.811 0.314 1.00 0.00 H new ATOM 183 N LEU A 13 -6.830 14.288 0.454 1.00 0.00 N ATOM 184 CA LEU A 13 -6.560 12.875 0.914 1.00 0.00 C ATOM 185 C LEU A 13 -5.230 12.168 0.528 1.00 0.00 C ATOM 186 O LEU A 13 -4.651 12.375 -0.523 1.00 0.00 O ATOM 187 CB LEU A 13 -7.753 11.991 0.440 1.00 0.00 C ATOM 188 CG LEU A 13 -9.098 12.480 1.010 1.00 0.00 C ATOM 189 CD1 LEU A 13 -10.198 11.613 0.403 1.00 0.00 C ATOM 190 CD2 LEU A 13 -9.144 12.246 2.524 1.00 0.00 C ATOM 0 H LEU A 13 -7.758 14.444 0.061 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.448 12.984 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.798 11.997 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.583 10.959 0.747 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.223 13.539 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.167 11.933 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.185 11.716 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.029 10.570 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.099 12.595 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.034 11.182 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.332 12.795 3.002 1.00 0.00 H new ATOM 202 N LEU A 14 -4.781 11.364 1.446 1.00 0.00 N ATOM 203 CA LEU A 14 -3.526 10.544 1.310 1.00 0.00 C ATOM 204 C LEU A 14 -3.901 9.031 1.436 1.00 0.00 C ATOM 205 O LEU A 14 -3.450 8.313 2.301 1.00 0.00 O ATOM 206 CB LEU A 14 -2.573 11.019 2.432 1.00 0.00 C ATOM 207 CG LEU A 14 -2.213 12.520 2.275 1.00 0.00 C ATOM 208 CD1 LEU A 14 -1.327 12.896 3.457 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.362 12.736 1.010 1.00 0.00 C ATOM 0 H LEU A 14 -5.255 11.229 2.339 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.034 10.668 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.042 10.856 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.662 10.421 2.414 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.128 13.109 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.050 13.948 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.870 12.727 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.426 12.282 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.117 13.794 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.442 12.156 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.924 12.412 0.134 1.00 0.00 H new ATOM 221 N VAL A 15 -4.761 8.592 0.567 1.00 0.00 N ATOM 222 CA VAL A 15 -5.221 7.153 0.564 1.00 0.00 C ATOM 223 C VAL A 15 -4.837 6.376 -0.716 1.00 0.00 C ATOM 224 O VAL A 15 -4.197 6.910 -1.595 1.00 0.00 O ATOM 225 CB VAL A 15 -6.774 7.150 0.743 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.153 7.833 2.067 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.455 7.936 -0.394 1.00 0.00 C ATOM 0 H VAL A 15 -5.181 9.170 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.715 6.639 1.381 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.105 6.112 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.237 7.826 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.696 7.295 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.795 8.863 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.535 7.921 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.102 8.967 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.210 7.476 -1.352 1.00 0.00 H new ATOM 237 N PHE A 16 -5.244 5.139 -0.788 1.00 0.00 N ATOM 238 CA PHE A 16 -4.940 4.289 -1.993 1.00 0.00 C ATOM 239 C PHE A 16 -6.240 4.108 -2.825 1.00 0.00 C ATOM 240 O PHE A 16 -7.251 3.604 -2.364 1.00 0.00 O ATOM 241 CB PHE A 16 -4.401 2.901 -1.537 1.00 0.00 C ATOM 242 CG PHE A 16 -2.865 2.894 -1.421 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.209 3.464 -0.351 1.00 0.00 C ATOM 244 CD2 PHE A 16 -2.113 2.289 -2.410 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.828 3.421 -0.278 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.734 2.251 -2.332 1.00 0.00 C ATOM 247 CZ PHE A 16 -0.093 2.818 -1.263 1.00 0.00 C ATOM 0 H PHE A 16 -5.781 4.668 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.180 4.775 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.839 2.639 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.715 2.137 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.775 3.946 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.611 1.839 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.324 3.868 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.162 1.774 -3.114 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.985 2.790 -1.197 1.00 0.00 H new ATOM 257 N GLU A 17 -6.132 4.537 -4.041 1.00 0.00 N ATOM 258 CA GLU A 17 -7.221 4.499 -5.070 1.00 0.00 C ATOM 259 C GLU A 17 -7.010 3.338 -6.095 1.00 0.00 C ATOM 260 O GLU A 17 -6.298 3.536 -7.060 1.00 0.00 O ATOM 261 CB GLU A 17 -7.184 5.877 -5.750 1.00 0.00 C ATOM 262 CG GLU A 17 -7.492 7.033 -4.727 1.00 0.00 C ATOM 263 CD GLU A 17 -6.887 8.334 -5.190 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.682 8.426 -5.156 1.00 0.00 O ATOM 265 OE2 GLU A 17 -7.598 9.231 -5.576 1.00 0.00 O ATOM 0 H GLU A 17 -5.268 4.945 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.193 4.302 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.203 6.037 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.912 5.904 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.570 7.148 -4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.096 6.771 -3.746 1.00 0.00 H new ATOM 272 N PRO A 18 -7.591 2.171 -5.893 1.00 0.00 N ATOM 273 CA PRO A 18 -8.387 1.730 -4.705 1.00 0.00 C ATOM 274 C PRO A 18 -7.659 0.816 -3.668 1.00 0.00 C ATOM 275 O PRO A 18 -6.922 -0.084 -4.015 1.00 0.00 O ATOM 276 CB PRO A 18 -9.550 1.072 -5.395 1.00 0.00 C ATOM 277 CG PRO A 18 -8.823 0.249 -6.518 1.00 0.00 C ATOM 278 CD PRO A 18 -7.563 1.084 -6.905 1.00 0.00 C ATOM 0 HA PRO A 18 -8.641 2.554 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.119 0.432 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.248 1.801 -5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.541 -0.741 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.475 0.101 -7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.648 0.494 -6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.627 1.471 -7.922 1.00 0.00 H new ATOM 286 N ALA A 19 -7.913 1.092 -2.417 1.00 0.00 N ATOM 287 CA ALA A 19 -7.337 0.347 -1.245 1.00 0.00 C ATOM 288 C ALA A 19 -6.639 -1.019 -1.525 1.00 0.00 C ATOM 289 O ALA A 19 -5.463 -1.168 -1.271 1.00 0.00 O ATOM 290 CB ALA A 19 -8.516 0.198 -0.250 1.00 0.00 C ATOM 0 H ALA A 19 -8.535 1.851 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.495 0.923 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.178 -0.338 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.876 1.186 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.324 -0.359 -0.724 1.00 0.00 H new ATOM 296 N LYS A 20 -7.391 -1.962 -2.026 1.00 0.00 N ATOM 297 CA LYS A 20 -6.834 -3.333 -2.342 1.00 0.00 C ATOM 298 C LYS A 20 -6.839 -3.773 -3.843 1.00 0.00 C ATOM 299 O LYS A 20 -7.636 -4.579 -4.300 1.00 0.00 O ATOM 300 CB LYS A 20 -7.618 -4.363 -1.473 1.00 0.00 C ATOM 301 CG LYS A 20 -9.146 -4.375 -1.748 1.00 0.00 C ATOM 302 CD LYS A 20 -9.849 -5.512 -0.920 1.00 0.00 C ATOM 303 CE LYS A 20 -9.392 -6.939 -1.303 1.00 0.00 C ATOM 304 NZ LYS A 20 -8.047 -7.154 -0.714 1.00 0.00 N ATOM 0 H LYS A 20 -8.383 -1.850 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.771 -3.289 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.217 -5.360 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.449 -4.140 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.576 -3.408 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.328 -4.527 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.653 -5.350 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.927 -5.436 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.097 -7.680 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.358 -7.052 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.348 -7.268 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.790 -6.334 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.059 -8.011 -0.125 1.00 0.00 H new ATOM 318 N LEU A 21 -5.920 -3.242 -4.593 1.00 0.00 N ATOM 319 CA LEU A 21 -5.821 -3.577 -6.059 1.00 0.00 C ATOM 320 C LEU A 21 -5.844 -5.111 -6.290 1.00 0.00 C ATOM 321 O LEU A 21 -4.872 -5.801 -6.077 1.00 0.00 O ATOM 322 CB LEU A 21 -4.518 -2.911 -6.564 1.00 0.00 C ATOM 323 CG LEU A 21 -4.215 -3.105 -8.097 1.00 0.00 C ATOM 324 CD1 LEU A 21 -3.243 -4.262 -8.231 1.00 0.00 C ATOM 325 CD2 LEU A 21 -5.451 -3.544 -8.932 1.00 0.00 C ATOM 0 H LEU A 21 -5.219 -2.580 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.677 -3.199 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.570 -1.843 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.680 -3.309 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.853 -2.143 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.012 -4.423 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.326 -4.031 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.692 -5.164 -7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.163 -3.657 -9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.826 -4.495 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.232 -2.788 -8.851 1.00 0.00 H new ATOM 337 N THR A 22 -6.963 -5.618 -6.719 1.00 0.00 N ATOM 338 CA THR A 22 -7.077 -7.104 -6.970 1.00 0.00 C ATOM 339 C THR A 22 -6.766 -7.466 -8.430 1.00 0.00 C ATOM 340 O THR A 22 -7.591 -7.402 -9.318 1.00 0.00 O ATOM 341 CB THR A 22 -8.496 -7.559 -6.596 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.615 -7.250 -5.209 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.591 -9.072 -6.522 1.00 0.00 C ATOM 0 H THR A 22 -7.809 -5.081 -6.910 1.00 0.00 H new ATOM 0 HA THR A 22 -6.341 -7.619 -6.353 1.00 0.00 H new ATOM 0 HB THR A 22 -9.201 -7.120 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.259 -6.352 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.608 -9.360 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.335 -9.500 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.899 -9.444 -5.767 1.00 0.00 H new ATOM 351 N ILE A 23 -5.531 -7.840 -8.595 1.00 0.00 N ATOM 352 CA ILE A 23 -4.928 -8.245 -9.904 1.00 0.00 C ATOM 353 C ILE A 23 -4.587 -9.723 -10.040 1.00 0.00 C ATOM 354 O ILE A 23 -4.968 -10.533 -9.215 1.00 0.00 O ATOM 355 CB ILE A 23 -3.641 -7.404 -10.140 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.729 -7.274 -8.933 1.00 0.00 C ATOM 357 CG2 ILE A 23 -4.018 -6.082 -10.760 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.917 -8.566 -8.763 1.00 0.00 C ATOM 0 H ILE A 23 -4.867 -7.885 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.696 -8.056 -10.654 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.016 -7.956 -10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.058 -6.424 -9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.319 -7.082 -8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.119 -5.489 -10.927 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.520 -6.256 -11.712 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.688 -5.544 -10.090 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.262 -8.473 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.596 -9.406 -8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.315 -8.738 -9.656 1.00 0.00 H new ATOM 370 N LYS A 24 -3.866 -10.057 -11.074 1.00 0.00 N ATOM 371 CA LYS A 24 -3.504 -11.489 -11.267 1.00 0.00 C ATOM 372 C LYS A 24 -2.030 -11.912 -10.939 1.00 0.00 C ATOM 373 O LYS A 24 -1.137 -11.087 -10.888 1.00 0.00 O ATOM 374 CB LYS A 24 -3.849 -11.858 -12.755 1.00 0.00 C ATOM 375 CG LYS A 24 -5.365 -11.698 -13.051 1.00 0.00 C ATOM 376 CD LYS A 24 -5.690 -10.290 -13.588 1.00 0.00 C ATOM 377 CE LYS A 24 -5.241 -10.137 -15.050 1.00 0.00 C ATOM 378 NZ LYS A 24 -4.888 -8.708 -15.219 1.00 0.00 N ATOM 0 H LYS A 24 -3.517 -9.413 -11.783 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.083 -12.043 -10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.277 -11.221 -13.430 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.546 -12.886 -12.954 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.676 -12.447 -13.779 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.936 -11.882 -12.141 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.762 -10.107 -13.513 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.195 -9.539 -12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.386 -10.779 -15.265 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.038 -10.426 -15.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.054 -8.627 -15.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.688 -8.201 -15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.674 -8.291 -14.291 1.00 0.00 H new ATOM 392 N PRO A 25 -1.797 -13.190 -10.717 1.00 0.00 N ATOM 393 CA PRO A 25 -0.417 -13.777 -10.534 1.00 0.00 C ATOM 394 C PRO A 25 0.720 -13.297 -11.494 1.00 0.00 C ATOM 395 O PRO A 25 1.163 -14.017 -12.366 1.00 0.00 O ATOM 396 CB PRO A 25 -0.702 -15.312 -10.593 1.00 0.00 C ATOM 397 CG PRO A 25 -2.097 -15.405 -11.277 1.00 0.00 C ATOM 398 CD PRO A 25 -2.850 -14.254 -10.637 1.00 0.00 C ATOM 0 HA PRO A 25 0.028 -13.431 -9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.061 -15.839 -11.167 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.714 -15.755 -9.597 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.027 -15.293 -12.359 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.580 -16.363 -11.086 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.754 -13.990 -11.185 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.150 -14.469 -9.611 1.00 0.00 H new ATOM 406 N GLY A 26 1.182 -12.081 -11.332 1.00 0.00 N ATOM 407 CA GLY A 26 2.294 -11.552 -12.234 1.00 0.00 C ATOM 408 C GLY A 26 1.920 -10.259 -12.961 1.00 0.00 C ATOM 409 O GLY A 26 2.743 -9.508 -13.444 1.00 0.00 O ATOM 0 H GLY A 26 0.851 -11.425 -10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.187 -11.378 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.548 -12.314 -12.971 1.00 0.00 H new ATOM 413 N ASP A 27 0.638 -10.069 -13.000 1.00 0.00 N ATOM 414 CA ASP A 27 -0.021 -8.896 -13.644 1.00 0.00 C ATOM 415 C ASP A 27 0.725 -7.518 -13.545 1.00 0.00 C ATOM 416 O ASP A 27 1.695 -7.337 -12.834 1.00 0.00 O ATOM 417 CB ASP A 27 -1.410 -8.907 -12.996 1.00 0.00 C ATOM 418 CG ASP A 27 -2.448 -8.137 -13.737 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.245 -7.681 -14.841 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.471 -8.062 -13.113 1.00 0.00 O ATOM 0 H ASP A 27 -0.026 -10.722 -12.584 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.034 -8.995 -14.729 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.743 -9.940 -12.900 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.329 -8.503 -11.987 1.00 0.00 H new ATOM 425 N THR A 28 0.227 -6.563 -14.273 1.00 0.00 N ATOM 426 CA THR A 28 0.843 -5.198 -14.283 1.00 0.00 C ATOM 427 C THR A 28 -0.012 -4.072 -13.733 1.00 0.00 C ATOM 428 O THR A 28 -1.203 -3.981 -13.932 1.00 0.00 O ATOM 429 CB THR A 28 1.218 -4.757 -15.698 1.00 0.00 C ATOM 430 OG1 THR A 28 1.438 -5.943 -16.427 1.00 0.00 O ATOM 431 CG2 THR A 28 2.566 -4.096 -15.768 1.00 0.00 C ATOM 0 H THR A 28 -0.592 -6.665 -14.872 1.00 0.00 H new ATOM 0 HA THR A 28 1.703 -5.338 -13.628 1.00 0.00 H new ATOM 0 HB THR A 28 0.434 -4.087 -16.049 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.150 -6.463 -15.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.776 -3.806 -16.797 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.570 -3.210 -15.133 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.331 -4.792 -15.424 1.00 0.00 H new ATOM 439 N VAL A 29 0.639 -3.211 -13.032 1.00 0.00 N ATOM 440 CA VAL A 29 -0.012 -2.029 -12.412 1.00 0.00 C ATOM 441 C VAL A 29 0.629 -0.668 -12.771 1.00 0.00 C ATOM 442 O VAL A 29 1.809 -0.605 -13.072 1.00 0.00 O ATOM 443 CB VAL A 29 0.019 -2.233 -10.874 1.00 0.00 C ATOM 444 CG1 VAL A 29 -0.844 -1.152 -10.189 1.00 0.00 C ATOM 445 CG2 VAL A 29 -0.611 -3.581 -10.500 1.00 0.00 C ATOM 0 H VAL A 29 1.641 -3.275 -12.851 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.026 -1.974 -12.809 1.00 0.00 H new ATOM 0 HB VAL A 29 1.060 -2.184 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.820 -1.298 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.450 -0.165 -10.431 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.872 -1.229 -10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.581 -3.709 -9.418 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.646 -3.606 -10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.053 -4.388 -10.976 1.00 0.00 H new ATOM 455 N GLU A 30 -0.158 0.362 -12.740 1.00 0.00 N ATOM 456 CA GLU A 30 0.299 1.742 -13.037 1.00 0.00 C ATOM 457 C GLU A 30 0.168 2.541 -11.720 1.00 0.00 C ATOM 458 O GLU A 30 -0.900 2.599 -11.150 1.00 0.00 O ATOM 459 CB GLU A 30 -0.590 2.353 -14.128 1.00 0.00 C ATOM 460 CG GLU A 30 -0.169 3.850 -14.294 1.00 0.00 C ATOM 461 CD GLU A 30 -0.897 4.523 -15.445 1.00 0.00 C ATOM 462 OE1 GLU A 30 -2.105 4.420 -15.426 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.184 5.096 -16.244 1.00 0.00 O ATOM 0 H GLU A 30 -1.150 0.300 -12.509 1.00 0.00 H new ATOM 0 HA GLU A 30 1.327 1.758 -13.398 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.469 1.814 -15.068 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.642 2.279 -13.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.376 4.389 -13.370 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.906 3.907 -14.462 1.00 0.00 H new ATOM 470 N PHE A 31 1.224 3.137 -11.266 1.00 0.00 N ATOM 471 CA PHE A 31 1.211 3.933 -9.993 1.00 0.00 C ATOM 472 C PHE A 31 1.195 5.442 -10.341 1.00 0.00 C ATOM 473 O PHE A 31 2.172 5.957 -10.856 1.00 0.00 O ATOM 474 CB PHE A 31 2.491 3.579 -9.178 1.00 0.00 C ATOM 475 CG PHE A 31 2.712 2.076 -8.920 1.00 0.00 C ATOM 476 CD1 PHE A 31 1.680 1.165 -8.864 1.00 0.00 C ATOM 477 CD2 PHE A 31 4.000 1.621 -8.720 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.931 -0.169 -8.615 1.00 0.00 C ATOM 479 CE2 PHE A 31 4.253 0.286 -8.472 1.00 0.00 C ATOM 480 CZ PHE A 31 3.216 -0.611 -8.418 1.00 0.00 C ATOM 0 H PHE A 31 2.131 3.111 -11.732 1.00 0.00 H new ATOM 0 HA PHE A 31 0.327 3.699 -9.400 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.359 3.972 -9.708 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.444 4.093 -8.218 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.664 1.498 -9.017 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.823 2.320 -8.758 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.111 -0.870 -8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.267 -0.052 -8.321 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.409 -1.655 -8.222 1.00 0.00 H new ATOM 490 N LEU A 32 0.112 6.116 -10.073 1.00 0.00 N ATOM 491 CA LEU A 32 0.018 7.578 -10.376 1.00 0.00 C ATOM 492 C LEU A 32 0.208 8.456 -9.100 1.00 0.00 C ATOM 493 O LEU A 32 -0.397 8.245 -8.066 1.00 0.00 O ATOM 494 CB LEU A 32 -1.362 7.757 -11.068 1.00 0.00 C ATOM 495 CG LEU A 32 -1.411 9.068 -11.887 1.00 0.00 C ATOM 496 CD1 LEU A 32 -2.619 8.986 -12.816 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.646 10.279 -10.982 1.00 0.00 C ATOM 0 H LEU A 32 -0.725 5.714 -9.651 1.00 0.00 H new ATOM 0 HA LEU A 32 0.820 7.919 -11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.556 6.908 -11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.151 7.765 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.466 9.182 -12.417 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.684 9.898 -13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.511 8.128 -13.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.527 8.874 -12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.675 11.185 -11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.594 10.162 -10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.836 10.353 -10.256 1.00 0.00 H new ATOM 509 N ASN A 33 1.056 9.436 -9.240 1.00 0.00 N ATOM 510 CA ASN A 33 1.419 10.412 -8.149 1.00 0.00 C ATOM 511 C ASN A 33 0.733 11.819 -8.234 1.00 0.00 C ATOM 512 O ASN A 33 0.760 12.429 -9.283 1.00 0.00 O ATOM 513 CB ASN A 33 2.958 10.495 -8.244 1.00 0.00 C ATOM 514 CG ASN A 33 3.650 11.257 -7.143 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.049 10.741 -6.124 1.00 0.00 O ATOM 516 ND2 ASN A 33 3.847 12.513 -7.269 1.00 0.00 N ATOM 0 H ASN A 33 1.545 9.616 -10.117 1.00 0.00 H new ATOM 0 HA ASN A 33 1.053 10.062 -7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.356 9.480 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.219 10.956 -9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.321 13.032 -6.530 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.530 12.997 -8.109 1.00 0.00 H new ATOM 523 N ASN A 34 0.156 12.299 -7.155 1.00 0.00 N ATOM 524 CA ASN A 34 -0.520 13.665 -7.180 1.00 0.00 C ATOM 525 C ASN A 34 0.187 14.800 -6.376 1.00 0.00 C ATOM 526 O ASN A 34 0.901 15.618 -6.914 1.00 0.00 O ATOM 527 CB ASN A 34 -1.986 13.549 -6.624 1.00 0.00 C ATOM 528 CG ASN A 34 -2.898 12.767 -7.511 1.00 0.00 C ATOM 529 OD1 ASN A 34 -2.982 11.568 -7.445 1.00 0.00 O ATOM 530 ND2 ASN A 34 -3.626 13.376 -8.375 1.00 0.00 N ATOM 0 H ASN A 34 0.117 11.817 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.477 13.953 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.957 13.079 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.395 14.550 -6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.252 12.844 -8.980 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.579 14.392 -8.457 1.00 0.00 H new ATOM 537 N LYS A 35 -0.041 14.809 -5.093 1.00 0.00 N ATOM 538 CA LYS A 35 0.558 15.843 -4.179 1.00 0.00 C ATOM 539 C LYS A 35 1.292 15.230 -2.962 1.00 0.00 C ATOM 540 O LYS A 35 1.330 14.027 -2.826 1.00 0.00 O ATOM 541 CB LYS A 35 -0.602 16.761 -3.734 1.00 0.00 C ATOM 542 CG LYS A 35 -1.472 16.119 -2.615 1.00 0.00 C ATOM 543 CD LYS A 35 -2.150 14.784 -3.078 1.00 0.00 C ATOM 544 CE LYS A 35 -3.466 14.548 -2.333 1.00 0.00 C ATOM 545 NZ LYS A 35 -3.179 14.673 -0.877 1.00 0.00 N ATOM 0 H LYS A 35 -0.633 14.127 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 35 1.328 16.401 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.196 17.707 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.232 16.989 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.850 15.924 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.242 16.826 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.337 14.821 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.473 13.948 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.217 15.275 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.866 13.560 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.840 14.076 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.204 14.366 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.292 15.665 -0.585 1.00 0.00 H new ATOM 559 N VAL A 36 1.822 16.067 -2.108 1.00 0.00 N ATOM 560 CA VAL A 36 2.576 15.585 -0.878 1.00 0.00 C ATOM 561 C VAL A 36 3.584 14.438 -1.254 1.00 0.00 C ATOM 562 O VAL A 36 3.562 13.342 -0.727 1.00 0.00 O ATOM 563 CB VAL A 36 1.483 15.131 0.165 1.00 0.00 C ATOM 564 CG1 VAL A 36 2.129 14.654 1.483 1.00 0.00 C ATOM 565 CG2 VAL A 36 0.626 16.351 0.573 1.00 0.00 C ATOM 0 H VAL A 36 1.771 17.082 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 36 3.192 16.372 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 36 0.906 14.336 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.349 14.348 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.787 13.809 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.708 15.468 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.130 16.040 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.265 17.111 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.138 16.764 -0.310 1.00 0.00 H new ATOM 575 N PRO A 37 4.460 14.751 -2.186 1.00 0.00 N ATOM 576 CA PRO A 37 5.357 13.769 -2.854 1.00 0.00 C ATOM 577 C PRO A 37 6.834 13.840 -2.320 1.00 0.00 C ATOM 578 O PRO A 37 7.167 14.712 -1.539 1.00 0.00 O ATOM 579 CB PRO A 37 5.134 14.172 -4.331 1.00 0.00 C ATOM 580 CG PRO A 37 4.744 15.708 -4.280 1.00 0.00 C ATOM 581 CD PRO A 37 4.723 16.088 -2.780 1.00 0.00 C ATOM 0 HA PRO A 37 5.147 12.715 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.034 14.012 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.342 13.578 -4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.467 16.313 -4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.771 15.880 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.667 16.516 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.943 16.811 -2.543 1.00 0.00 H new ATOM 589 N PRO A 38 7.695 12.942 -2.747 1.00 0.00 N ATOM 590 CA PRO A 38 7.448 11.884 -3.779 1.00 0.00 C ATOM 591 C PRO A 38 6.962 10.518 -3.219 1.00 0.00 C ATOM 592 O PRO A 38 7.468 10.017 -2.231 1.00 0.00 O ATOM 593 CB PRO A 38 8.801 11.847 -4.466 1.00 0.00 C ATOM 594 CG PRO A 38 9.772 11.910 -3.238 1.00 0.00 C ATOM 595 CD PRO A 38 9.093 12.893 -2.237 1.00 0.00 C ATOM 0 HA PRO A 38 6.615 12.105 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.939 10.939 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.941 12.689 -5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.909 10.925 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.759 12.266 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.140 12.527 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.565 13.875 -2.247 1.00 0.00 H new ATOM 603 N HIS A 39 5.999 9.913 -3.859 1.00 0.00 N ATOM 604 CA HIS A 39 5.505 8.591 -3.341 1.00 0.00 C ATOM 605 C HIS A 39 6.189 7.355 -3.981 1.00 0.00 C ATOM 606 O HIS A 39 5.627 6.678 -4.815 1.00 0.00 O ATOM 607 CB HIS A 39 3.975 8.536 -3.574 1.00 0.00 C ATOM 608 CG HIS A 39 3.217 9.656 -2.853 1.00 0.00 C ATOM 609 ND1 HIS A 39 3.016 9.710 -1.542 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.636 10.755 -3.450 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.328 10.822 -1.358 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.118 11.412 -2.474 1.00 0.00 N ATOM 0 H HIS A 39 5.537 10.261 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 39 5.760 8.536 -2.283 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.774 8.599 -4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.596 7.572 -3.235 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.620 11.007 -4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.989 11.184 -0.398 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.607 12.289 -2.576 1.00 0.00 H new ATOM 620 N ASN A 40 7.395 7.084 -3.559 1.00 0.00 N ATOM 621 CA ASN A 40 8.158 5.909 -4.105 1.00 0.00 C ATOM 622 C ASN A 40 7.834 4.723 -3.201 1.00 0.00 C ATOM 623 O ASN A 40 8.261 4.708 -2.060 1.00 0.00 O ATOM 624 CB ASN A 40 9.667 6.195 -4.054 1.00 0.00 C ATOM 625 CG ASN A 40 10.421 4.987 -4.591 1.00 0.00 C ATOM 626 OD1 ASN A 40 9.976 4.259 -5.445 1.00 0.00 O ATOM 627 ND2 ASN A 40 11.588 4.709 -4.137 1.00 0.00 N ATOM 0 H ASN A 40 7.893 7.627 -2.854 1.00 0.00 H new ATOM 0 HA ASN A 40 7.883 5.710 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.902 7.079 -4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.975 6.406 -3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.097 3.902 -4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.007 5.295 -3.415 1.00 0.00 H new ATOM 634 N VAL A 41 7.091 3.785 -3.707 1.00 0.00 N ATOM 635 CA VAL A 41 6.769 2.624 -2.830 1.00 0.00 C ATOM 636 C VAL A 41 7.346 1.272 -3.234 1.00 0.00 C ATOM 637 O VAL A 41 7.367 0.847 -4.367 1.00 0.00 O ATOM 638 CB VAL A 41 5.220 2.477 -2.709 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.550 3.858 -2.664 1.00 0.00 C ATOM 640 CG2 VAL A 41 4.610 1.766 -3.941 1.00 0.00 C ATOM 0 H VAL A 41 6.704 3.765 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 41 7.254 2.870 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 41 5.045 1.902 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.470 3.736 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.921 4.414 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.783 4.405 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.530 1.684 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.829 2.343 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.041 0.769 -4.036 1.00 0.00 H new ATOM 650 N VAL A 42 7.798 0.619 -2.225 1.00 0.00 N ATOM 651 CA VAL A 42 8.403 -0.734 -2.382 1.00 0.00 C ATOM 652 C VAL A 42 7.355 -1.661 -1.718 1.00 0.00 C ATOM 653 O VAL A 42 6.423 -1.167 -1.113 1.00 0.00 O ATOM 654 CB VAL A 42 9.783 -0.713 -1.654 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.693 0.279 -2.410 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.644 -0.158 -0.228 1.00 0.00 C ATOM 0 H VAL A 42 7.779 0.965 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 42 8.605 -1.063 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 42 10.178 -1.728 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.669 0.319 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.813 -0.051 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.241 1.271 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.620 -0.154 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.255 0.859 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.958 -0.785 0.341 1.00 0.00 H new ATOM 666 N PHE A 43 7.426 -2.955 -1.793 1.00 0.00 N ATOM 667 CA PHE A 43 6.345 -3.744 -1.091 1.00 0.00 C ATOM 668 C PHE A 43 6.884 -3.977 0.315 1.00 0.00 C ATOM 669 O PHE A 43 8.087 -4.079 0.460 1.00 0.00 O ATOM 670 CB PHE A 43 6.129 -5.120 -1.784 1.00 0.00 C ATOM 671 CG PHE A 43 4.945 -5.208 -2.760 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.007 -4.209 -2.946 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.818 -6.373 -3.481 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.967 -4.376 -3.834 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.783 -6.546 -4.367 1.00 0.00 C ATOM 676 CZ PHE A 43 2.858 -5.548 -4.544 1.00 0.00 C ATOM 0 H PHE A 43 8.142 -3.494 -2.281 1.00 0.00 H new ATOM 0 HA PHE A 43 5.392 -3.216 -1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.039 -5.378 -2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.993 -5.876 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.091 -3.288 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.543 -7.163 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.240 -3.589 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.697 -7.467 -4.924 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.044 -5.683 -5.241 1.00 0.00 H new ATOM 686 N ASP A 44 6.056 -4.032 1.314 1.00 0.00 N ATOM 687 CA ASP A 44 6.669 -4.289 2.663 1.00 0.00 C ATOM 688 C ASP A 44 6.874 -5.864 2.935 1.00 0.00 C ATOM 689 O ASP A 44 6.664 -6.672 2.056 1.00 0.00 O ATOM 690 CB ASP A 44 5.758 -3.642 3.748 1.00 0.00 C ATOM 691 CG ASP A 44 6.411 -4.000 5.056 1.00 0.00 C ATOM 692 OD1 ASP A 44 7.583 -3.673 5.187 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.737 -4.632 5.831 1.00 0.00 O ATOM 0 H ASP A 44 5.043 -3.920 1.277 1.00 0.00 H new ATOM 0 HA ASP A 44 7.662 -3.840 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.695 -2.561 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.741 -4.030 3.694 1.00 0.00 H new ATOM 698 N ALA A 45 7.301 -6.254 4.116 1.00 0.00 N ATOM 699 CA ALA A 45 7.538 -7.662 4.531 1.00 0.00 C ATOM 700 C ALA A 45 6.436 -8.066 5.550 1.00 0.00 C ATOM 701 O ALA A 45 5.766 -9.067 5.387 1.00 0.00 O ATOM 702 CB ALA A 45 8.955 -7.726 5.148 1.00 0.00 C ATOM 0 H ALA A 45 7.508 -5.588 4.860 1.00 0.00 H new ATOM 0 HA ALA A 45 7.487 -8.359 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.168 -8.747 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.690 -7.417 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.008 -7.059 6.009 1.00 0.00 H new ATOM 708 N ALA A 46 6.246 -7.283 6.583 1.00 0.00 N ATOM 709 CA ALA A 46 5.193 -7.609 7.608 1.00 0.00 C ATOM 710 C ALA A 46 3.904 -7.896 6.794 1.00 0.00 C ATOM 711 O ALA A 46 3.152 -8.834 7.012 1.00 0.00 O ATOM 712 CB ALA A 46 5.082 -6.376 8.535 1.00 0.00 C ATOM 0 H ALA A 46 6.773 -6.429 6.765 1.00 0.00 H new ATOM 0 HA ALA A 46 5.405 -8.472 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.328 -6.562 9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.045 -6.192 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.795 -5.504 7.948 1.00 0.00 H new ATOM 718 N LEU A 47 3.704 -7.050 5.827 1.00 0.00 N ATOM 719 CA LEU A 47 2.513 -7.186 4.937 1.00 0.00 C ATOM 720 C LEU A 47 2.733 -8.039 3.637 1.00 0.00 C ATOM 721 O LEU A 47 2.233 -7.708 2.581 1.00 0.00 O ATOM 722 CB LEU A 47 2.053 -5.755 4.582 1.00 0.00 C ATOM 723 CG LEU A 47 1.318 -4.973 5.706 1.00 0.00 C ATOM 724 CD1 LEU A 47 0.055 -5.721 6.136 1.00 0.00 C ATOM 725 CD2 LEU A 47 2.203 -4.787 6.930 1.00 0.00 C ATOM 0 H LEU A 47 4.316 -6.264 5.610 1.00 0.00 H new ATOM 0 HA LEU A 47 1.755 -7.748 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.927 -5.179 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.393 -5.812 3.716 1.00 0.00 H new ATOM 0 HG LEU A 47 1.061 -3.995 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.449 -5.161 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.614 -5.827 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.326 -6.708 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.655 -4.236 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.492 -5.762 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.097 -4.229 6.651 1.00 0.00 H new ATOM 737 N ASN A 48 3.482 -9.106 3.758 1.00 0.00 N ATOM 738 CA ASN A 48 3.772 -10.052 2.609 1.00 0.00 C ATOM 739 C ASN A 48 3.019 -11.393 2.924 1.00 0.00 C ATOM 740 O ASN A 48 2.323 -11.452 3.931 1.00 0.00 O ATOM 741 CB ASN A 48 5.314 -10.311 2.519 1.00 0.00 C ATOM 742 CG ASN A 48 5.860 -9.821 1.202 1.00 0.00 C ATOM 743 OD1 ASN A 48 5.225 -9.832 0.173 1.00 0.00 O ATOM 744 ND2 ASN A 48 7.054 -9.375 1.141 1.00 0.00 N ATOM 0 H ASN A 48 3.926 -9.379 4.635 1.00 0.00 H new ATOM 0 HA ASN A 48 3.441 -9.634 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.822 -9.804 3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.516 -11.377 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.432 -9.048 0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.631 -9.345 1.982 1.00 0.00 H new ATOM 751 N PRO A 49 3.138 -12.430 2.126 1.00 0.00 N ATOM 752 CA PRO A 49 2.650 -13.780 2.549 1.00 0.00 C ATOM 753 C PRO A 49 3.625 -14.450 3.563 1.00 0.00 C ATOM 754 O PRO A 49 3.231 -14.726 4.682 1.00 0.00 O ATOM 755 CB PRO A 49 2.469 -14.502 1.189 1.00 0.00 C ATOM 756 CG PRO A 49 3.570 -13.889 0.285 1.00 0.00 C ATOM 757 CD PRO A 49 3.730 -12.417 0.748 1.00 0.00 C ATOM 0 HA PRO A 49 1.719 -13.787 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.592 -15.580 1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.474 -14.332 0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.508 -14.435 0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.285 -13.939 -0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.776 -12.109 0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.203 -11.727 0.089 1.00 0.00 H new ATOM 765 N ALA A 50 4.858 -14.673 3.210 1.00 0.00 N ATOM 766 CA ALA A 50 5.854 -15.320 4.137 1.00 0.00 C ATOM 767 C ALA A 50 6.705 -14.244 4.882 1.00 0.00 C ATOM 768 O ALA A 50 7.892 -14.369 5.095 1.00 0.00 O ATOM 769 CB ALA A 50 6.724 -16.237 3.258 1.00 0.00 C ATOM 0 H ALA A 50 5.237 -14.431 2.294 1.00 0.00 H new ATOM 0 HA ALA A 50 5.359 -15.897 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.469 -16.736 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.093 -16.984 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.227 -15.641 2.496 1.00 0.00 H new ATOM 775 N LYS A 51 6.006 -13.216 5.268 1.00 0.00 N ATOM 776 CA LYS A 51 6.542 -12.007 6.012 1.00 0.00 C ATOM 777 C LYS A 51 8.052 -11.638 5.802 1.00 0.00 C ATOM 778 O LYS A 51 8.725 -11.124 6.675 1.00 0.00 O ATOM 779 CB LYS A 51 6.235 -12.271 7.526 1.00 0.00 C ATOM 780 CG LYS A 51 4.783 -12.786 7.737 1.00 0.00 C ATOM 781 CD LYS A 51 3.781 -11.680 7.322 1.00 0.00 C ATOM 782 CE LYS A 51 2.457 -12.289 6.916 1.00 0.00 C ATOM 783 NZ LYS A 51 1.619 -11.131 6.500 1.00 0.00 N ATOM 0 H LYS A 51 5.004 -13.150 5.089 1.00 0.00 H new ATOM 0 HA LYS A 51 6.044 -11.129 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.941 -13.003 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.381 -11.351 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.615 -13.686 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.630 -13.058 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.631 -10.988 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.191 -11.102 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.582 -13.000 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.000 -12.831 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.654 -11.250 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.029 -10.253 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.588 -11.080 5.462 1.00 0.00 H new ATOM 797 N SER A 52 8.505 -11.904 4.617 1.00 0.00 N ATOM 798 CA SER A 52 9.920 -11.658 4.156 1.00 0.00 C ATOM 799 C SER A 52 10.041 -10.617 3.010 1.00 0.00 C ATOM 800 O SER A 52 9.309 -9.659 2.845 1.00 0.00 O ATOM 801 CB SER A 52 10.443 -13.050 3.704 1.00 0.00 C ATOM 802 OG SER A 52 10.584 -13.773 4.918 1.00 0.00 O ATOM 0 H SER A 52 7.918 -12.311 3.889 1.00 0.00 H new ATOM 0 HA SER A 52 10.506 -11.223 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.743 -13.539 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.393 -12.968 3.176 1.00 0.00 H new ATOM 0 HG SER A 52 9.708 -14.106 5.204 1.00 0.00 H new ATOM 808 N ALA A 53 11.045 -10.859 2.222 1.00 0.00 N ATOM 809 CA ALA A 53 11.403 -10.062 1.021 1.00 0.00 C ATOM 810 C ALA A 53 11.047 -11.151 -0.037 1.00 0.00 C ATOM 811 O ALA A 53 11.770 -11.383 -0.976 1.00 0.00 O ATOM 812 CB ALA A 53 12.910 -9.736 1.124 1.00 0.00 C ATOM 0 H ALA A 53 11.680 -11.641 2.379 1.00 0.00 H new ATOM 0 HA ALA A 53 10.927 -9.099 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.215 -9.149 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.097 -9.165 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.482 -10.664 1.154 1.00 0.00 H new ATOM 818 N ASP A 54 9.922 -11.769 0.208 1.00 0.00 N ATOM 819 CA ASP A 54 9.297 -12.861 -0.599 1.00 0.00 C ATOM 820 C ASP A 54 9.762 -12.921 -2.068 1.00 0.00 C ATOM 821 O ASP A 54 10.619 -13.673 -2.484 1.00 0.00 O ATOM 822 CB ASP A 54 7.765 -12.602 -0.388 1.00 0.00 C ATOM 823 CG ASP A 54 7.362 -12.844 1.050 1.00 0.00 C ATOM 824 OD1 ASP A 54 7.872 -12.174 1.919 1.00 0.00 O ATOM 825 OD2 ASP A 54 6.540 -13.705 1.221 1.00 0.00 O ATOM 0 H ASP A 54 9.357 -11.530 1.023 1.00 0.00 H new ATOM 0 HA ASP A 54 9.596 -13.858 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.525 -11.576 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.189 -13.255 -1.044 1.00 0.00 H new ATOM 830 N LEU A 55 9.138 -12.062 -2.793 1.00 0.00 N ATOM 831 CA LEU A 55 9.387 -11.872 -4.252 1.00 0.00 C ATOM 832 C LEU A 55 10.328 -10.651 -4.217 1.00 0.00 C ATOM 833 O LEU A 55 10.192 -9.691 -4.939 1.00 0.00 O ATOM 834 CB LEU A 55 8.011 -11.575 -4.916 1.00 0.00 C ATOM 835 CG LEU A 55 7.041 -10.752 -3.988 1.00 0.00 C ATOM 836 CD1 LEU A 55 7.690 -9.485 -3.392 1.00 0.00 C ATOM 837 CD2 LEU A 55 5.898 -10.265 -4.858 1.00 0.00 C ATOM 0 H LEU A 55 8.420 -11.441 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 55 9.816 -12.704 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.173 -11.023 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.534 -12.517 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 55 6.742 -11.406 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.966 -8.967 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.555 -9.767 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.008 -8.825 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.200 -9.688 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.291 -9.636 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.381 -11.121 -5.292 1.00 0.00 H new ATOM 849 N ALA A 56 11.290 -10.744 -3.344 1.00 0.00 N ATOM 850 CA ALA A 56 12.306 -9.671 -3.120 1.00 0.00 C ATOM 851 C ALA A 56 11.624 -8.272 -3.024 1.00 0.00 C ATOM 852 O ALA A 56 12.002 -7.363 -3.731 1.00 0.00 O ATOM 853 CB ALA A 56 13.285 -9.787 -4.282 1.00 0.00 C ATOM 0 H ALA A 56 11.421 -11.560 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 56 12.834 -9.786 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.060 -9.027 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.743 -10.776 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.753 -9.641 -5.222 1.00 0.00 H new ATOM 859 N LYS A 57 10.637 -8.149 -2.153 1.00 0.00 N ATOM 860 CA LYS A 57 9.836 -6.850 -1.907 1.00 0.00 C ATOM 861 C LYS A 57 10.259 -5.552 -2.593 1.00 0.00 C ATOM 862 O LYS A 57 9.347 -4.793 -2.871 1.00 0.00 O ATOM 863 CB LYS A 57 9.739 -6.675 -0.317 1.00 0.00 C ATOM 864 CG LYS A 57 11.084 -6.263 0.392 1.00 0.00 C ATOM 865 CD LYS A 57 10.873 -6.033 1.969 1.00 0.00 C ATOM 866 CE LYS A 57 9.894 -4.876 2.249 1.00 0.00 C ATOM 867 NZ LYS A 57 9.827 -4.525 3.716 1.00 0.00 N ATOM 0 H LYS A 57 10.327 -8.924 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 57 8.880 -7.004 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.984 -5.921 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.390 -7.613 0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.833 -7.039 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.471 -5.350 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.494 -6.949 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.834 -5.819 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.201 -3.998 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.900 -5.151 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.844 -4.305 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.162 -5.331 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.428 -3.697 3.903 1.00 0.00 H new ATOM 881 N SER A 58 11.517 -5.246 -2.844 1.00 0.00 N ATOM 882 CA SER A 58 11.837 -3.949 -3.583 1.00 0.00 C ATOM 883 C SER A 58 10.823 -4.061 -4.744 1.00 0.00 C ATOM 884 O SER A 58 10.241 -3.084 -5.160 1.00 0.00 O ATOM 885 CB SER A 58 13.236 -3.925 -4.222 1.00 0.00 C ATOM 886 OG SER A 58 13.143 -2.839 -5.160 1.00 0.00 O ATOM 0 H SER A 58 12.323 -5.813 -2.582 1.00 0.00 H new ATOM 0 HA SER A 58 11.795 -3.079 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.016 -3.752 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.470 -4.867 -4.717 1.00 0.00 H new ATOM 0 HG SER A 58 13.998 -2.736 -5.628 1.00 0.00 H new ATOM 892 N LEU A 59 10.697 -5.312 -5.179 1.00 0.00 N ATOM 893 CA LEU A 59 9.805 -5.844 -6.271 1.00 0.00 C ATOM 894 C LEU A 59 8.835 -4.771 -6.671 1.00 0.00 C ATOM 895 O LEU A 59 8.788 -4.428 -7.833 1.00 0.00 O ATOM 896 CB LEU A 59 9.090 -7.076 -5.715 1.00 0.00 C ATOM 897 CG LEU A 59 8.558 -8.043 -6.821 1.00 0.00 C ATOM 898 CD1 LEU A 59 7.558 -7.334 -7.735 1.00 0.00 C ATOM 899 CD2 LEU A 59 9.713 -8.527 -7.712 1.00 0.00 C ATOM 0 H LEU A 59 11.249 -6.060 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 59 10.369 -6.128 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.775 -7.621 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.254 -6.752 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 59 8.081 -8.879 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.204 -8.030 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.713 -6.980 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.044 -6.486 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.325 -9.200 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.188 -7.670 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.446 -9.055 -7.102 1.00 0.00 H new ATOM 911 N SER A 60 8.121 -4.309 -5.669 1.00 0.00 N ATOM 912 CA SER A 60 7.107 -3.184 -5.952 1.00 0.00 C ATOM 913 C SER A 60 7.770 -1.947 -6.664 1.00 0.00 C ATOM 914 O SER A 60 8.708 -2.081 -7.424 1.00 0.00 O ATOM 915 CB SER A 60 6.496 -2.741 -4.644 1.00 0.00 C ATOM 916 OG SER A 60 5.304 -2.060 -5.036 1.00 0.00 O ATOM 0 H SER A 60 8.175 -4.630 -4.702 1.00 0.00 H new ATOM 0 HA SER A 60 6.346 -3.578 -6.626 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.277 -3.591 -3.997 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.168 -2.085 -4.091 1.00 0.00 H new ATOM 0 HG SER A 60 4.528 -2.500 -4.632 1.00 0.00 H new ATOM 922 N HIS A 61 7.341 -0.739 -6.472 1.00 0.00 N ATOM 923 CA HIS A 61 8.075 0.360 -7.229 1.00 0.00 C ATOM 924 C HIS A 61 9.579 0.602 -6.776 1.00 0.00 C ATOM 925 O HIS A 61 10.124 -0.122 -5.965 1.00 0.00 O ATOM 926 CB HIS A 61 7.248 1.682 -7.117 1.00 0.00 C ATOM 927 CG HIS A 61 7.768 2.512 -8.278 1.00 0.00 C ATOM 928 ND1 HIS A 61 8.384 3.744 -8.299 1.00 0.00 N flip ATOM 929 CD2 HIS A 61 7.741 2.132 -9.513 1.00 0.00 C flip ATOM 930 CE1 HIS A 61 8.711 4.061 -9.533 1.00 0.00 C flip ATOM 931 NE2 HIS A 61 8.300 3.046 -10.250 1.00 0.00 N flip ATOM 0 H HIS A 61 6.569 -0.453 -5.871 1.00 0.00 H new ATOM 0 HA HIS A 61 8.153 0.025 -8.263 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.177 1.496 -7.202 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.410 2.180 -6.161 1.00 0.00 H new ATOM 0 HD1 HIS A 61 8.560 4.324 -7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.322 1.205 -9.875 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.207 4.957 -9.877 1.00 0.00 H new ATOM 939 N LYS A 62 10.232 1.592 -7.338 1.00 0.00 N ATOM 940 CA LYS A 62 11.672 1.933 -7.006 1.00 0.00 C ATOM 941 C LYS A 62 12.156 3.416 -7.009 1.00 0.00 C ATOM 942 O LYS A 62 13.062 3.741 -6.266 1.00 0.00 O ATOM 943 CB LYS A 62 12.584 1.124 -7.982 1.00 0.00 C ATOM 944 CG LYS A 62 13.072 -0.212 -7.340 1.00 0.00 C ATOM 945 CD LYS A 62 12.941 -1.367 -8.380 1.00 0.00 C ATOM 946 CE LYS A 62 11.473 -1.736 -8.514 1.00 0.00 C ATOM 947 NZ LYS A 62 11.103 -2.384 -7.240 1.00 0.00 N ATOM 0 H LYS A 62 9.818 2.205 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 62 11.741 1.673 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.035 0.908 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.446 1.730 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.108 -0.115 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.481 -0.439 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.342 -1.055 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.521 -2.232 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.862 -0.851 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.314 -2.410 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.842 -3.375 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.911 -2.350 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.295 -1.884 -6.818 1.00 0.00 H new ATOM 961 N GLN A 63 11.582 4.285 -7.805 1.00 0.00 N ATOM 962 CA GLN A 63 12.061 5.718 -7.827 1.00 0.00 C ATOM 963 C GLN A 63 11.156 6.803 -7.172 1.00 0.00 C ATOM 964 O GLN A 63 9.996 6.618 -6.874 1.00 0.00 O ATOM 965 CB GLN A 63 12.332 6.014 -9.329 1.00 0.00 C ATOM 966 CG GLN A 63 12.986 7.432 -9.546 1.00 0.00 C ATOM 967 CD GLN A 63 13.369 7.623 -11.003 1.00 0.00 C ATOM 968 OE1 GLN A 63 14.144 6.895 -11.568 1.00 0.00 O ATOM 969 NE2 GLN A 63 12.871 8.583 -11.691 1.00 0.00 N ATOM 0 H GLN A 63 10.810 4.075 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 63 12.938 5.792 -7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.989 5.246 -9.736 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.395 5.959 -9.884 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.287 8.212 -9.242 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.869 7.532 -8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.209 9.229 -11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.136 8.701 -12.669 1.00 0.00 H new ATOM 978 N LEU A 64 11.724 7.957 -6.973 1.00 0.00 N ATOM 979 CA LEU A 64 10.989 9.106 -6.346 1.00 0.00 C ATOM 980 C LEU A 64 9.980 9.865 -7.254 1.00 0.00 C ATOM 981 O LEU A 64 10.326 10.723 -8.041 1.00 0.00 O ATOM 982 CB LEU A 64 12.069 10.094 -5.777 1.00 0.00 C ATOM 983 CG LEU A 64 13.142 10.466 -6.831 1.00 0.00 C ATOM 984 CD1 LEU A 64 13.590 11.901 -6.552 1.00 0.00 C ATOM 985 CD2 LEU A 64 14.402 9.611 -6.595 1.00 0.00 C ATOM 0 H LEU A 64 12.691 8.164 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 64 10.350 8.680 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.578 11.002 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.554 9.640 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 64 12.731 10.325 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.347 12.194 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.734 12.571 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.008 11.963 -5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.160 9.869 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.790 9.803 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.148 8.555 -6.689 1.00 0.00 H new ATOM 997 N LEU A 65 8.729 9.518 -7.117 1.00 0.00 N ATOM 998 CA LEU A 65 7.652 10.184 -7.931 1.00 0.00 C ATOM 999 C LEU A 65 7.455 11.658 -7.441 1.00 0.00 C ATOM 1000 O LEU A 65 6.521 12.007 -6.749 1.00 0.00 O ATOM 1001 CB LEU A 65 6.355 9.324 -7.771 1.00 0.00 C ATOM 1002 CG LEU A 65 6.377 8.009 -8.590 1.00 0.00 C ATOM 1003 CD1 LEU A 65 7.551 7.124 -8.223 1.00 0.00 C ATOM 1004 CD2 LEU A 65 5.124 7.201 -8.248 1.00 0.00 C ATOM 0 H LEU A 65 8.397 8.799 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 65 7.916 10.240 -8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.217 9.083 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.495 9.919 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 65 6.439 8.288 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.523 6.215 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.482 7.657 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.493 6.863 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.124 6.271 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.117 6.974 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.237 7.781 -8.501 1.00 0.00 H new ATOM 1016 N MET A 66 8.365 12.505 -7.827 1.00 0.00 N ATOM 1017 CA MET A 66 8.341 13.971 -7.443 1.00 0.00 C ATOM 1018 C MET A 66 7.652 14.841 -8.534 1.00 0.00 C ATOM 1019 O MET A 66 7.954 15.987 -8.788 1.00 0.00 O ATOM 1020 CB MET A 66 9.799 14.347 -7.253 1.00 0.00 C ATOM 1021 CG MET A 66 10.026 15.271 -6.036 1.00 0.00 C ATOM 1022 SD MET A 66 8.977 16.734 -5.865 1.00 0.00 S ATOM 1023 CE MET A 66 8.233 16.317 -4.268 1.00 0.00 C ATOM 0 H MET A 66 9.158 12.246 -8.414 1.00 0.00 H new ATOM 0 HA MET A 66 7.759 14.146 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.390 13.440 -7.130 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.162 14.844 -8.153 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.907 14.669 -5.135 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.063 15.606 -6.061 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.500 17.078 -3.998 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.740 15.347 -4.338 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.010 16.275 -3.505 1.00 0.00 H new ATOM 1033 N SER A 67 6.712 14.211 -9.158 1.00 0.00 N ATOM 1034 CA SER A 67 5.907 14.862 -10.260 1.00 0.00 C ATOM 1035 C SER A 67 4.386 15.046 -9.954 1.00 0.00 C ATOM 1036 O SER A 67 3.733 14.108 -9.526 1.00 0.00 O ATOM 1037 CB SER A 67 6.090 14.005 -11.498 1.00 0.00 C ATOM 1038 OG SER A 67 5.418 14.746 -12.513 1.00 0.00 O ATOM 0 H SER A 67 6.447 13.246 -8.959 1.00 0.00 H new ATOM 0 HA SER A 67 6.278 15.879 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.144 13.862 -11.736 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.655 13.014 -11.369 1.00 0.00 H new ATOM 0 HG SER A 67 5.738 14.459 -13.394 1.00 0.00 H new ATOM 1044 N PRO A 68 3.845 16.225 -10.172 1.00 0.00 N ATOM 1045 CA PRO A 68 2.454 16.591 -9.734 1.00 0.00 C ATOM 1046 C PRO A 68 1.335 16.089 -10.701 1.00 0.00 C ATOM 1047 O PRO A 68 0.574 16.853 -11.265 1.00 0.00 O ATOM 1048 CB PRO A 68 2.567 18.109 -9.616 1.00 0.00 C ATOM 1049 CG PRO A 68 3.404 18.433 -10.886 1.00 0.00 C ATOM 1050 CD PRO A 68 4.520 17.364 -10.866 1.00 0.00 C ATOM 0 HA PRO A 68 2.139 16.113 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.593 18.599 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.070 18.417 -8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.801 18.367 -11.792 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.814 19.442 -10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.845 17.095 -11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.403 17.706 -10.326 1.00 0.00 H new ATOM 1058 N GLY A 69 1.273 14.795 -10.849 1.00 0.00 N ATOM 1059 CA GLY A 69 0.250 14.131 -11.755 1.00 0.00 C ATOM 1060 C GLY A 69 0.915 13.283 -12.839 1.00 0.00 C ATOM 1061 O GLY A 69 0.657 13.414 -14.017 1.00 0.00 O ATOM 0 H GLY A 69 1.897 14.142 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.411 13.503 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.372 14.895 -12.222 1.00 0.00 H new ATOM 1065 N GLN A 70 1.764 12.413 -12.385 1.00 0.00 N ATOM 1066 CA GLN A 70 2.527 11.486 -13.300 1.00 0.00 C ATOM 1067 C GLN A 70 2.346 9.991 -12.950 1.00 0.00 C ATOM 1068 O GLN A 70 2.204 9.639 -11.796 1.00 0.00 O ATOM 1069 CB GLN A 70 4.000 11.905 -13.197 1.00 0.00 C ATOM 1070 CG GLN A 70 4.941 10.957 -14.032 1.00 0.00 C ATOM 1071 CD GLN A 70 6.402 11.325 -13.831 1.00 0.00 C ATOM 1072 OE1 GLN A 70 6.906 11.428 -12.738 1.00 0.00 O ATOM 1073 NE2 GLN A 70 7.167 11.537 -14.837 1.00 0.00 N ATOM 0 H GLN A 70 1.976 12.292 -11.395 1.00 0.00 H new ATOM 0 HA GLN A 70 2.146 11.576 -14.317 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.111 12.930 -13.551 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.308 11.893 -12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.779 9.922 -13.732 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.687 11.026 -15.090 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.796 11.464 -15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.147 11.779 -14.690 1.00 0.00 H new ATOM 1082 N SER A 71 2.347 9.148 -13.941 1.00 0.00 N ATOM 1083 CA SER A 71 2.189 7.670 -13.706 1.00 0.00 C ATOM 1084 C SER A 71 3.375 6.773 -14.136 1.00 0.00 C ATOM 1085 O SER A 71 3.967 6.906 -15.186 1.00 0.00 O ATOM 1086 CB SER A 71 0.922 7.231 -14.433 1.00 0.00 C ATOM 1087 OG SER A 71 1.144 7.587 -15.792 1.00 0.00 O ATOM 0 H SER A 71 2.451 9.414 -14.920 1.00 0.00 H new ATOM 0 HA SER A 71 2.141 7.534 -12.626 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.756 6.159 -14.327 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.041 7.732 -14.031 1.00 0.00 H new ATOM 0 HG SER A 71 0.784 6.888 -16.376 1.00 0.00 H new ATOM 1093 N THR A 72 3.725 5.863 -13.271 1.00 0.00 N ATOM 1094 CA THR A 72 4.862 4.896 -13.554 1.00 0.00 C ATOM 1095 C THR A 72 4.348 3.444 -13.616 1.00 0.00 C ATOM 1096 O THR A 72 3.363 3.148 -12.976 1.00 0.00 O ATOM 1097 CB THR A 72 5.917 5.006 -12.450 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.815 3.964 -12.772 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.418 4.583 -11.087 1.00 0.00 C ATOM 0 H THR A 72 3.276 5.734 -12.364 1.00 0.00 H new ATOM 0 HA THR A 72 5.299 5.156 -14.518 1.00 0.00 H new ATOM 0 HB THR A 72 6.279 6.033 -12.405 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.287 3.677 -11.962 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.221 4.688 -10.357 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.577 5.213 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.096 3.542 -11.124 1.00 0.00 H new ATOM 1107 N SER A 73 4.962 2.540 -14.326 1.00 0.00 N ATOM 1108 CA SER A 73 4.409 1.122 -14.356 1.00 0.00 C ATOM 1109 C SER A 73 5.285 0.011 -13.736 1.00 0.00 C ATOM 1110 O SER A 73 6.498 0.042 -13.743 1.00 0.00 O ATOM 1111 CB SER A 73 4.107 0.764 -15.822 1.00 0.00 C ATOM 1112 OG SER A 73 5.382 0.639 -16.443 1.00 0.00 O ATOM 0 H SER A 73 5.804 2.698 -14.880 1.00 0.00 H new ATOM 0 HA SER A 73 3.526 1.146 -13.717 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.541 -0.165 -15.893 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.509 1.539 -16.302 1.00 0.00 H new ATOM 0 HG SER A 73 5.264 0.408 -17.388 1.00 0.00 H new ATOM 1118 N THR A 74 4.639 -0.972 -13.174 1.00 0.00 N ATOM 1119 CA THR A 74 5.371 -2.140 -12.530 1.00 0.00 C ATOM 1120 C THR A 74 4.594 -3.491 -12.622 1.00 0.00 C ATOM 1121 O THR A 74 3.397 -3.522 -12.410 1.00 0.00 O ATOM 1122 CB THR A 74 5.648 -1.784 -11.029 1.00 0.00 C ATOM 1123 OG1 THR A 74 6.510 -0.646 -11.014 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.582 -2.776 -10.374 1.00 0.00 C ATOM 0 H THR A 74 3.622 -1.032 -13.124 1.00 0.00 H new ATOM 0 HA THR A 74 6.300 -2.290 -13.081 1.00 0.00 H new ATOM 0 HB THR A 74 4.673 -1.703 -10.549 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.157 -0.736 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.746 -2.490 -9.335 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.140 -3.771 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.535 -2.783 -10.903 1.00 0.00 H new ATOM 1132 N THR A 75 5.258 -4.569 -12.961 1.00 0.00 N ATOM 1133 CA THR A 75 4.582 -5.942 -13.062 1.00 0.00 C ATOM 1134 C THR A 75 5.189 -6.938 -12.062 1.00 0.00 C ATOM 1135 O THR A 75 6.244 -6.664 -11.521 1.00 0.00 O ATOM 1136 CB THR A 75 4.757 -6.545 -14.518 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.480 -7.057 -14.874 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.549 -7.843 -14.645 1.00 0.00 C ATOM 0 H THR A 75 6.254 -4.576 -13.179 1.00 0.00 H new ATOM 0 HA THR A 75 3.526 -5.793 -12.837 1.00 0.00 H new ATOM 0 HB THR A 75 5.231 -5.742 -15.083 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.231 -7.774 -14.255 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.591 -8.143 -15.692 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.561 -7.690 -14.270 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.061 -8.625 -14.063 1.00 0.00 H new ATOM 1146 N PHE A 76 4.564 -8.056 -11.824 1.00 0.00 N ATOM 1147 CA PHE A 76 5.163 -9.042 -10.850 1.00 0.00 C ATOM 1148 C PHE A 76 5.708 -10.307 -11.591 1.00 0.00 C ATOM 1149 O PHE A 76 5.116 -10.749 -12.550 1.00 0.00 O ATOM 1150 CB PHE A 76 4.055 -9.418 -9.822 1.00 0.00 C ATOM 1151 CG PHE A 76 3.513 -8.127 -9.213 1.00 0.00 C ATOM 1152 CD1 PHE A 76 4.124 -7.547 -8.129 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.406 -7.521 -9.765 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.638 -6.372 -7.601 1.00 0.00 C ATOM 1155 CE2 PHE A 76 1.916 -6.350 -9.242 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.533 -5.772 -8.157 1.00 0.00 C ATOM 0 H PHE A 76 3.680 -8.337 -12.247 1.00 0.00 H new ATOM 0 HA PHE A 76 6.015 -8.597 -10.336 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.255 -9.973 -10.311 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.461 -10.064 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.991 -8.015 -7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.919 -7.971 -10.617 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.125 -5.921 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.047 -5.883 -9.682 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.151 -4.850 -7.743 1.00 0.00 H new ATOM 1166 N PRO A 77 6.809 -10.872 -11.149 1.00 0.00 N ATOM 1167 CA PRO A 77 7.492 -12.006 -11.879 1.00 0.00 C ATOM 1168 C PRO A 77 6.600 -13.170 -12.412 1.00 0.00 C ATOM 1169 O PRO A 77 6.855 -13.677 -13.485 1.00 0.00 O ATOM 1170 CB PRO A 77 8.578 -12.437 -10.860 1.00 0.00 C ATOM 1171 CG PRO A 77 8.054 -11.884 -9.507 1.00 0.00 C ATOM 1172 CD PRO A 77 7.522 -10.517 -9.892 1.00 0.00 C ATOM 0 HA PRO A 77 7.881 -11.676 -12.842 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.693 -13.521 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.553 -12.019 -11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.275 -12.518 -9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.847 -11.815 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.856 -10.100 -9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.317 -9.789 -10.053 1.00 0.00 H new ATOM 1180 N ALA A 78 5.612 -13.508 -11.622 1.00 0.00 N ATOM 1181 CA ALA A 78 4.575 -14.597 -11.856 1.00 0.00 C ATOM 1182 C ALA A 78 4.200 -15.302 -10.524 1.00 0.00 C ATOM 1183 O ALA A 78 3.042 -15.512 -10.222 1.00 0.00 O ATOM 1184 CB ALA A 78 5.119 -15.669 -12.854 1.00 0.00 C ATOM 0 H ALA A 78 5.462 -13.029 -10.734 1.00 0.00 H new ATOM 0 HA ALA A 78 3.689 -14.120 -12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.363 -16.439 -13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.353 -15.194 -13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.021 -16.123 -12.444 1.00 0.00 H new ATOM 1190 N ASP A 79 5.211 -15.635 -9.778 1.00 0.00 N ATOM 1191 CA ASP A 79 5.071 -16.324 -8.452 1.00 0.00 C ATOM 1192 C ASP A 79 4.034 -15.646 -7.498 1.00 0.00 C ATOM 1193 O ASP A 79 3.056 -16.254 -7.108 1.00 0.00 O ATOM 1194 CB ASP A 79 6.541 -16.359 -7.912 1.00 0.00 C ATOM 1195 CG ASP A 79 7.189 -15.002 -8.066 1.00 0.00 C ATOM 1196 OD1 ASP A 79 7.026 -14.176 -7.190 1.00 0.00 O ATOM 1197 OD2 ASP A 79 7.807 -14.874 -9.096 1.00 0.00 O ATOM 0 H ASP A 79 6.179 -15.451 -10.041 1.00 0.00 H new ATOM 0 HA ASP A 79 4.647 -17.325 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.543 -16.654 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.117 -17.108 -8.455 1.00 0.00 H new ATOM 1202 N ALA A 80 4.327 -14.417 -7.173 1.00 0.00 N ATOM 1203 CA ALA A 80 3.526 -13.507 -6.282 1.00 0.00 C ATOM 1204 C ALA A 80 2.120 -14.019 -5.804 1.00 0.00 C ATOM 1205 O ALA A 80 1.109 -13.437 -6.145 1.00 0.00 O ATOM 1206 CB ALA A 80 3.443 -12.180 -7.081 1.00 0.00 C ATOM 0 H ALA A 80 5.171 -13.963 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 80 4.026 -13.417 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.874 -11.447 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.449 -11.799 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.948 -12.360 -8.035 1.00 0.00 H new ATOM 1212 N PRO A 81 2.100 -15.075 -5.024 1.00 0.00 N ATOM 1213 CA PRO A 81 0.905 -15.976 -4.930 1.00 0.00 C ATOM 1214 C PRO A 81 -0.415 -15.290 -4.492 1.00 0.00 C ATOM 1215 O PRO A 81 -0.392 -14.253 -3.864 1.00 0.00 O ATOM 1216 CB PRO A 81 1.404 -17.078 -3.965 1.00 0.00 C ATOM 1217 CG PRO A 81 2.425 -16.301 -3.084 1.00 0.00 C ATOM 1218 CD PRO A 81 3.213 -15.506 -4.136 1.00 0.00 C ATOM 0 HA PRO A 81 0.596 -16.358 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.592 -17.499 -3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.872 -17.905 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.930 -15.648 -2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.067 -16.973 -2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.751 -14.663 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.948 -16.120 -4.657 1.00 0.00 H new ATOM 1226 N ALA A 82 -1.516 -15.905 -4.832 1.00 0.00 N ATOM 1227 CA ALA A 82 -2.894 -15.394 -4.498 1.00 0.00 C ATOM 1228 C ALA A 82 -3.207 -14.916 -3.026 1.00 0.00 C ATOM 1229 O ALA A 82 -4.004 -15.489 -2.308 1.00 0.00 O ATOM 1230 CB ALA A 82 -3.850 -16.527 -4.955 1.00 0.00 C ATOM 0 H ALA A 82 -1.523 -16.782 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.018 -14.442 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.881 -16.239 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.728 -16.697 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.614 -17.443 -4.413 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.555 -13.865 -2.616 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.722 -13.258 -1.243 1.00 0.00 C ATOM 1238 C GLY A 83 -2.836 -11.734 -1.322 1.00 0.00 C ATOM 1239 O GLY A 83 -2.843 -11.172 -2.401 1.00 0.00 O ATOM 0 H GLY A 83 -1.878 -13.371 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.613 -13.668 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.872 -13.530 -0.617 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.937 -11.104 -0.188 1.00 0.00 N ATOM 1244 CA GLU A 84 -3.047 -9.600 -0.138 1.00 0.00 C ATOM 1245 C GLU A 84 -1.812 -8.949 0.559 1.00 0.00 C ATOM 1246 O GLU A 84 -1.652 -9.039 1.764 1.00 0.00 O ATOM 1247 CB GLU A 84 -4.356 -9.260 0.605 1.00 0.00 C ATOM 1248 CG GLU A 84 -4.633 -7.749 0.281 1.00 0.00 C ATOM 1249 CD GLU A 84 -5.879 -7.163 0.860 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -6.660 -7.831 1.489 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -6.067 -5.986 0.678 1.00 0.00 O ATOM 0 H GLU A 84 -2.949 -11.562 0.723 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.065 -9.194 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.177 -9.892 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.253 -9.420 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.784 -7.163 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.673 -7.634 -0.802 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.985 -8.307 -0.216 1.00 0.00 N ATOM 1259 CA TYR A 85 0.262 -7.642 0.331 1.00 0.00 C ATOM 1260 C TYR A 85 0.238 -6.097 0.294 1.00 0.00 C ATOM 1261 O TYR A 85 -0.568 -5.531 -0.411 1.00 0.00 O ATOM 1262 CB TYR A 85 1.456 -8.209 -0.496 1.00 0.00 C ATOM 1263 CG TYR A 85 1.216 -9.705 -0.736 1.00 0.00 C ATOM 1264 CD1 TYR A 85 0.909 -10.531 0.321 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.289 -10.237 -2.007 1.00 0.00 C ATOM 1266 CE1 TYR A 85 0.676 -11.870 0.108 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.054 -11.585 -2.211 1.00 0.00 C ATOM 1268 CZ TYR A 85 0.749 -12.394 -1.150 1.00 0.00 C ATOM 1269 OH TYR A 85 0.518 -13.730 -1.340 1.00 0.00 O ATOM 0 H TYR A 85 -1.110 -8.205 -1.223 1.00 0.00 H new ATOM 0 HA TYR A 85 0.346 -7.871 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.542 -7.682 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.393 -8.057 0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.851 -10.127 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.530 -9.599 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.434 -12.511 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.111 -11.999 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 85 0.208 -13.881 -2.257 1.00 0.00 H new ATOM 1279 N THR A 86 1.101 -5.430 1.011 1.00 0.00 N ATOM 1280 CA THR A 86 1.084 -3.897 0.988 1.00 0.00 C ATOM 1281 C THR A 86 2.160 -3.111 0.260 1.00 0.00 C ATOM 1282 O THR A 86 3.326 -3.460 0.215 1.00 0.00 O ATOM 1283 CB THR A 86 1.077 -3.317 2.450 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.282 -3.226 2.811 1.00 0.00 O ATOM 1285 CG2 THR A 86 1.452 -1.850 2.632 1.00 0.00 C ATOM 0 H THR A 86 1.813 -5.850 1.608 1.00 0.00 H new ATOM 0 HA THR A 86 0.178 -3.753 0.399 1.00 0.00 H new ATOM 0 HB THR A 86 1.773 -3.958 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.731 -2.573 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.404 -1.591 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.465 -1.685 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.756 -1.225 2.073 1.00 0.00 H new ATOM 1293 N PHE A 87 1.707 -2.008 -0.280 1.00 0.00 N ATOM 1294 CA PHE A 87 2.609 -1.096 -1.027 1.00 0.00 C ATOM 1295 C PHE A 87 3.045 -0.144 0.080 1.00 0.00 C ATOM 1296 O PHE A 87 2.245 0.466 0.761 1.00 0.00 O ATOM 1297 CB PHE A 87 1.926 -0.189 -2.085 1.00 0.00 C ATOM 1298 CG PHE A 87 0.851 -0.803 -2.965 1.00 0.00 C ATOM 1299 CD1 PHE A 87 -0.427 -0.839 -2.482 1.00 0.00 C ATOM 1300 CD2 PHE A 87 1.110 -1.287 -4.226 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -1.454 -1.346 -3.235 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.083 -1.801 -4.993 1.00 0.00 C ATOM 1303 CZ PHE A 87 -1.202 -1.828 -4.490 1.00 0.00 C ATOM 0 H PHE A 87 0.735 -1.701 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 87 3.356 -1.680 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.485 0.660 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.704 0.208 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.631 -0.462 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.117 -1.265 -4.616 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.459 -1.365 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.285 -2.181 -5.984 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.008 -2.229 -5.087 1.00 0.00 H new ATOM 1313 N TYR A 88 4.315 -0.042 0.207 1.00 0.00 N ATOM 1314 CA TYR A 88 4.936 0.806 1.223 1.00 0.00 C ATOM 1315 C TYR A 88 5.692 2.079 0.730 1.00 0.00 C ATOM 1316 O TYR A 88 6.740 2.001 0.122 1.00 0.00 O ATOM 1317 CB TYR A 88 5.754 -0.262 1.922 1.00 0.00 C ATOM 1318 CG TYR A 88 6.590 0.364 2.969 1.00 0.00 C ATOM 1319 CD1 TYR A 88 7.804 0.889 2.635 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.131 0.420 4.242 1.00 0.00 C ATOM 1321 CE1 TYR A 88 8.575 1.482 3.586 1.00 0.00 C ATOM 1322 CE2 TYR A 88 6.898 1.012 5.196 1.00 0.00 C ATOM 1323 CZ TYR A 88 8.124 1.549 4.885 1.00 0.00 C ATOM 1324 OH TYR A 88 8.864 2.144 5.875 1.00 0.00 O ATOM 0 H TYR A 88 4.982 -0.539 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 88 4.240 1.350 1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.095 -1.008 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 88 6.384 -0.782 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.153 0.834 1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.169 0.000 4.496 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.536 1.898 3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.538 1.061 6.213 1.00 0.00 H new ATOM 0 HH TYR A 88 9.580 2.679 5.472 1.00 0.00 H new ATOM 1334 N CYS A 89 5.131 3.221 1.021 1.00 0.00 N ATOM 1335 CA CYS A 89 5.740 4.542 0.607 1.00 0.00 C ATOM 1336 C CYS A 89 6.640 5.157 1.709 1.00 0.00 C ATOM 1337 O CYS A 89 6.249 6.058 2.425 1.00 0.00 O ATOM 1338 CB CYS A 89 4.568 5.476 0.267 1.00 0.00 C ATOM 1339 SG CYS A 89 4.893 7.022 -0.615 1.00 0.00 S ATOM 0 H CYS A 89 4.257 3.307 1.539 1.00 0.00 H new ATOM 0 HA CYS A 89 6.397 4.395 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.855 4.904 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.071 5.731 1.203 1.00 0.00 H new ATOM 1344 N GLU A 90 7.818 4.622 1.811 1.00 0.00 N ATOM 1345 CA GLU A 90 8.846 5.075 2.819 1.00 0.00 C ATOM 1346 C GLU A 90 8.768 6.517 3.457 1.00 0.00 C ATOM 1347 O GLU A 90 8.614 6.626 4.658 1.00 0.00 O ATOM 1348 CB GLU A 90 10.222 4.819 2.115 1.00 0.00 C ATOM 1349 CG GLU A 90 11.383 5.412 3.001 1.00 0.00 C ATOM 1350 CD GLU A 90 11.387 4.916 4.438 1.00 0.00 C ATOM 1351 OE1 GLU A 90 10.800 3.887 4.720 1.00 0.00 O ATOM 1352 OE2 GLU A 90 11.989 5.609 5.230 1.00 0.00 O ATOM 0 H GLU A 90 8.136 3.856 1.217 1.00 0.00 H new ATOM 0 HA GLU A 90 8.658 4.502 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.373 3.750 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.230 5.282 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.339 5.164 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.303 6.499 3.004 1.00 0.00 H new ATOM 1359 N PRO A 91 8.865 7.585 2.691 1.00 0.00 N ATOM 1360 CA PRO A 91 8.786 8.985 3.242 1.00 0.00 C ATOM 1361 C PRO A 91 7.424 9.380 3.882 1.00 0.00 C ATOM 1362 O PRO A 91 7.283 10.434 4.471 1.00 0.00 O ATOM 1363 CB PRO A 91 9.169 9.841 2.024 1.00 0.00 C ATOM 1364 CG PRO A 91 8.585 8.997 0.854 1.00 0.00 C ATOM 1365 CD PRO A 91 9.063 7.580 1.217 1.00 0.00 C ATOM 0 HA PRO A 91 9.445 9.121 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.730 10.838 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.248 9.971 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.498 9.062 0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.967 9.321 -0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.474 6.807 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.104 7.412 0.941 1.00 0.00 H new ATOM 1373 N HIS A 92 6.458 8.521 3.740 1.00 0.00 N ATOM 1374 CA HIS A 92 5.071 8.744 4.291 1.00 0.00 C ATOM 1375 C HIS A 92 4.614 7.639 5.282 1.00 0.00 C ATOM 1376 O HIS A 92 4.057 7.907 6.327 1.00 0.00 O ATOM 1377 CB HIS A 92 4.142 8.842 3.051 1.00 0.00 C ATOM 1378 CG HIS A 92 4.607 9.988 2.138 1.00 0.00 C ATOM 1379 ND1 HIS A 92 4.550 9.920 0.813 1.00 0.00 N ATOM 1380 CD2 HIS A 92 5.128 11.211 2.518 1.00 0.00 C ATOM 1381 CE1 HIS A 92 5.026 11.080 0.401 1.00 0.00 C ATOM 1382 NE2 HIS A 92 5.357 11.819 1.399 1.00 0.00 N ATOM 0 H HIS A 92 6.566 7.635 3.247 1.00 0.00 H new ATOM 0 HA HIS A 92 5.041 9.653 4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.153 7.900 2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.114 9.013 3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.304 11.575 3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.124 11.369 -0.635 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.747 12.758 1.320 1.00 0.00 H new ATOM 1390 N ARG A 93 4.872 6.407 4.930 1.00 0.00 N ATOM 1391 CA ARG A 93 4.473 5.243 5.814 1.00 0.00 C ATOM 1392 C ARG A 93 2.993 5.305 6.350 1.00 0.00 C ATOM 1393 O ARG A 93 2.118 5.890 5.741 1.00 0.00 O ATOM 1394 CB ARG A 93 5.541 5.229 6.972 1.00 0.00 C ATOM 1395 CG ARG A 93 6.936 4.844 6.407 1.00 0.00 C ATOM 1396 CD ARG A 93 8.026 5.429 7.316 1.00 0.00 C ATOM 1397 NE ARG A 93 9.344 4.945 6.768 1.00 0.00 N ATOM 1398 CZ ARG A 93 10.191 4.280 7.426 1.00 0.00 C ATOM 1399 NH1 ARG A 93 9.841 3.179 7.891 1.00 0.00 N ATOM 1400 NH2 ARG A 93 11.329 4.760 7.568 1.00 0.00 N ATOM 0 H ARG A 93 5.344 6.143 4.065 1.00 0.00 H new ATOM 0 HA ARG A 93 4.471 4.315 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.589 6.210 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.244 4.518 7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.034 3.760 6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.049 5.225 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.984 6.518 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.890 5.100 8.346 1.00 0.00 H new ATOM 0 HE ARG A 93 9.567 5.170 5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.892 2.838 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.503 2.618 8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.555 5.666 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.037 4.248 8.094 1.00 0.00 H new ATOM 1414 N GLY A 94 2.765 4.660 7.467 1.00 0.00 N ATOM 1415 CA GLY A 94 1.413 4.595 8.166 1.00 0.00 C ATOM 1416 C GLY A 94 0.477 5.808 8.045 1.00 0.00 C ATOM 1417 O GLY A 94 -0.711 5.666 7.852 1.00 0.00 O ATOM 0 H GLY A 94 3.494 4.143 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.881 3.724 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.594 4.418 9.226 1.00 0.00 H new ATOM 1421 N ALA A 95 1.038 6.975 8.156 1.00 0.00 N ATOM 1422 CA ALA A 95 0.241 8.241 8.069 1.00 0.00 C ATOM 1423 C ALA A 95 0.318 8.859 6.647 1.00 0.00 C ATOM 1424 O ALA A 95 0.878 9.909 6.407 1.00 0.00 O ATOM 1425 CB ALA A 95 0.814 9.167 9.168 1.00 0.00 C ATOM 0 H ALA A 95 2.037 7.115 8.307 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.823 8.071 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.276 10.115 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.699 8.691 10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.871 9.349 8.976 1.00 0.00 H new ATOM 1431 N GLY A 96 -0.284 8.144 5.739 1.00 0.00 N ATOM 1432 CA GLY A 96 -0.318 8.578 4.293 1.00 0.00 C ATOM 1433 C GLY A 96 -0.302 7.446 3.273 1.00 0.00 C ATOM 1434 O GLY A 96 -0.955 7.545 2.262 1.00 0.00 O ATOM 0 H GLY A 96 -0.763 7.264 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.214 9.178 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.538 9.226 4.105 1.00 0.00 H new ATOM 1438 N MET A 97 0.425 6.390 3.499 1.00 0.00 N ATOM 1439 CA MET A 97 0.425 5.276 2.481 1.00 0.00 C ATOM 1440 C MET A 97 0.249 3.802 2.939 1.00 0.00 C ATOM 1441 O MET A 97 1.185 3.025 2.977 1.00 0.00 O ATOM 1442 CB MET A 97 1.729 5.408 1.652 1.00 0.00 C ATOM 1443 CG MET A 97 1.510 6.340 0.426 1.00 0.00 C ATOM 1444 SD MET A 97 1.900 8.094 0.624 1.00 0.00 S ATOM 1445 CE MET A 97 0.339 8.793 0.021 1.00 0.00 C ATOM 0 H MET A 97 1.010 6.240 4.321 1.00 0.00 H new ATOM 0 HA MET A 97 -0.501 5.436 1.928 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.526 5.806 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.052 4.423 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.108 5.954 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.465 6.260 0.127 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.085 9.676 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.446 9.072 -1.027 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.454 8.052 0.120 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.967 3.483 3.265 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.330 2.094 3.722 1.00 0.00 C ATOM 1457 C VAL A 98 -2.265 1.380 2.688 1.00 0.00 C ATOM 1458 O VAL A 98 -3.463 1.285 2.880 1.00 0.00 O ATOM 1459 CB VAL A 98 -2.008 2.240 5.118 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -2.298 0.848 5.706 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.045 2.938 6.093 1.00 0.00 C ATOM 0 H VAL A 98 -1.752 4.134 3.237 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.442 1.466 3.798 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.926 2.813 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.772 0.957 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.964 0.302 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.364 0.298 5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.523 3.038 7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.136 2.345 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.792 3.927 5.710 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.720 0.899 1.595 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.568 0.190 0.541 1.00 0.00 C ATOM 1473 C GLY A 99 -2.115 -1.228 0.219 1.00 0.00 C ATOM 1474 O GLY A 99 -1.028 -1.623 0.590 1.00 0.00 O ATOM 0 H GLY A 99 -0.726 0.959 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.602 0.159 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.554 0.780 -0.376 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.937 -1.972 -0.464 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.588 -3.384 -0.838 1.00 0.00 C ATOM 1480 C LYS A 100 -2.879 -3.903 -2.284 1.00 0.00 C ATOM 1481 O LYS A 100 -3.705 -3.415 -3.030 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.301 -4.309 0.199 1.00 0.00 C ATOM 1483 CG LYS A 100 -2.599 -4.188 1.570 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.093 -5.276 2.553 1.00 0.00 C ATOM 1485 CE LYS A 100 -4.517 -5.023 3.010 1.00 0.00 C ATOM 1486 NZ LYS A 100 -5.106 -6.357 3.342 1.00 0.00 N ATOM 0 H LYS A 100 -3.853 -1.662 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.498 -3.404 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.350 -4.029 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.276 -5.343 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.521 -4.277 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.788 -3.201 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.034 -6.253 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.434 -5.307 3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.533 -4.366 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.093 -4.530 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.106 -6.376 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.587 -7.102 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.035 -6.523 4.366 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.132 -4.920 -2.589 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.146 -5.680 -3.882 1.00 0.00 C ATOM 1502 C ILE A 101 -2.733 -7.059 -3.534 1.00 0.00 C ATOM 1503 O ILE A 101 -2.207 -7.780 -2.709 1.00 0.00 O ATOM 1504 CB ILE A 101 -0.655 -5.816 -4.448 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -0.456 -4.941 -5.732 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.277 -7.314 -4.786 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.594 -5.782 -7.044 1.00 0.00 C ATOM 0 H ILE A 101 -1.446 -5.292 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.733 -5.182 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 101 0.004 -5.462 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.191 -4.136 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.528 -4.474 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.744 -7.355 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.352 -7.921 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.961 -7.700 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.448 -5.134 -7.908 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.158 -6.571 -7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.588 -6.228 -7.088 1.00 0.00 H new ATOM 1519 N THR A 102 -3.814 -7.398 -4.147 1.00 0.00 N ATOM 1520 CA THR A 102 -4.478 -8.720 -3.898 1.00 0.00 C ATOM 1521 C THR A 102 -4.324 -9.526 -5.171 1.00 0.00 C ATOM 1522 O THR A 102 -4.731 -9.083 -6.227 1.00 0.00 O ATOM 1523 CB THR A 102 -5.979 -8.558 -3.616 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.074 -7.555 -2.621 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.480 -9.729 -2.802 1.00 0.00 C ATOM 0 H THR A 102 -4.290 -6.809 -4.831 1.00 0.00 H new ATOM 0 HA THR A 102 -4.022 -9.199 -3.031 1.00 0.00 H new ATOM 0 HB THR A 102 -6.497 -8.404 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.148 -6.676 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.545 -9.607 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.317 -10.654 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.940 -9.772 -1.856 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.747 -10.676 -5.070 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.573 -11.513 -6.300 1.00 0.00 C ATOM 1535 C VAL A 103 -4.642 -12.625 -6.370 1.00 0.00 C ATOM 1536 O VAL A 103 -4.861 -13.353 -5.424 1.00 0.00 O ATOM 1537 CB VAL A 103 -2.138 -12.093 -6.243 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.884 -12.972 -7.468 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -1.100 -10.964 -6.290 1.00 0.00 C ATOM 0 H VAL A 103 -3.387 -11.081 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.704 -10.917 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.049 -12.663 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.873 -13.377 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.603 -13.791 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.995 -12.375 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.097 -11.390 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.217 -10.400 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.247 -10.299 -5.439 1.00 0.00 H new ATOM 1549 N ALA A 104 -5.300 -12.720 -7.486 1.00 0.00 N ATOM 1550 CA ALA A 104 -6.357 -13.764 -7.683 1.00 0.00 C ATOM 1551 C ALA A 104 -5.926 -14.808 -8.771 1.00 0.00 C ATOM 1552 O ALA A 104 -5.079 -15.646 -8.511 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.633 -12.954 -8.043 1.00 0.00 C ATOM 0 H ALA A 104 -5.153 -12.110 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.534 -14.378 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.465 -13.639 -8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.876 -12.276 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.454 -12.378 -8.951 1.00 0.00 H new ATOM 1559 N GLY A 105 -6.515 -14.715 -9.927 1.00 0.00 N ATOM 1560 CA GLY A 105 -6.237 -15.619 -11.094 1.00 0.00 C ATOM 1561 C GLY A 105 -6.104 -14.744 -12.328 1.00 0.00 C ATOM 1562 O GLY A 105 -5.075 -14.834 -12.970 1.00 0.00 O ATOM 1563 OXT GLY A 105 -7.065 -14.025 -12.542 1.00 0.00 O ATOM 0 H GLY A 105 -7.222 -14.007 -10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.323 -16.189 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.044 -16.341 -11.221 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 3.693 8.782 -0.218 1.00 0.00 CU