USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=34 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 Set 1.1: A 33 ASN : amide:sc= -2.5! C(o=-21!,f=-27!) USER MOD Set 1.2: A 39 HIS : +bothHN:sc= -8.44! C(o=-21!,f=-33!) USER MOD Set 1.3: A 89 CYS SG : rot -113:sc= -1.74! USER MOD Set 1.4: A 92 HIS : no HD1:sc= -4.91 K(o=-21,f=-30!) USER MOD Set 1.5: A 97 MET CE :methyl -104:sc= -3.09 (180deg=-9.23!) USER MOD Set 2.1: A 67 SER OG : rot -131:sc= 0.657 USER MOD Set 2.2: A 70 GLN : amide:sc=-0.00691 K(o=0.65,f=-3.1!) USER MOD Set 3.1: A 57 LYS NZ :NH3+ -119:sc= 1.13 (180deg=-0.529!) USER MOD Set 3.2: A 88 TYR OH : rot -39:sc= 1.03 USER MOD Set 4.1: A 48 ASN : amide:sc= -0.889 K(o=-0.65,f=-6.1!) USER MOD Set 4.2: A 52 SER OG : rot 63:sc= 0.239 USER MOD Set 5.1: A 40 ASN : amide:sc= -7.03! C(o=-5!,f=-13!) USER MOD Set 5.2: A 62 LYS NZ :NH3+ -134:sc= 2.04 (180deg=-0.341) USER MOD Set 6.1: A 20 LYS NZ :NH3+ -124:sc= 2.39 (180deg=-0.0662) USER MOD Set 6.2: A 22 THR OG1 : rot 180:sc= 1 USER MOD Set 6.3: A 102 THR OG1 : rot -130:sc= 1.07 USER MOD Set 7.1: A 6 LYS NZ :NH3+ -96:sc= 1.23 (180deg=0) USER MOD Set 7.2: A 9 SER OG : rot 180:sc= 1.02 USER MOD Set 8.1: A 1 GLU N :NH3+ -175:sc= 0.663! (180deg=0.036!) USER MOD Set 8.2: A 3 TYR OH : rot 14:sc= 0.998 USER MOD Set 8.3: A 24 LYS NZ :NH3+ -150:sc= -1.2! (180deg=-1.85!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 124:sc= 0.178 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -1.09 (180deg=-2.41!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 34 ASN : amide:sc= -2.1 K(o=-2.1,f=-9.6!) USER MOD Single : A 35 LYS NZ :NH3+ -134:sc= 1.21 (180deg=-0.508) USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 0.989 (180deg=-0.403) USER MOD Single : A 58 SER OG : rot -82:sc= 0.535 USER MOD Single : A 60 SER OG : rot -4:sc= -0.18 USER MOD Single : A 61 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-4.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -120:sc= 0 (180deg=-1.14) USER MOD Single : A 71 SER OG : rot 150:sc= -1.07 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 28:sc= 0.34! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0735 USER MOD Single : A 86 THR OG1 : rot 125:sc= -0.927 USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= -0.247 (180deg=-2.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.636 -5.617 -15.989 1.00 0.00 N ATOM 2 CA GLU A 1 -3.114 -4.599 -16.937 1.00 0.00 C ATOM 3 C GLU A 1 -3.029 -3.343 -16.072 1.00 0.00 C ATOM 4 O GLU A 1 -3.849 -3.261 -15.188 1.00 0.00 O ATOM 5 CB GLU A 1 -4.116 -4.383 -18.121 1.00 0.00 C ATOM 6 CG GLU A 1 -4.298 -5.673 -19.022 1.00 0.00 C ATOM 7 CD GLU A 1 -4.825 -6.860 -18.276 1.00 0.00 C ATOM 8 OE1 GLU A 1 -4.019 -7.470 -17.611 1.00 0.00 O ATOM 9 OE2 GLU A 1 -6.001 -7.129 -18.356 1.00 0.00 O ATOM 0 H1 GLU A 1 -3.656 -6.547 -16.454 1.00 0.00 H new ATOM 0 H2 GLU A 1 -3.019 -5.661 -15.153 1.00 0.00 H new ATOM 0 H3 GLU A 1 -4.599 -5.356 -15.695 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.164 -4.878 -17.392 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.085 -4.087 -17.720 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -3.764 -3.560 -18.742 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -4.977 -5.440 -19.842 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -3.338 -5.932 -19.468 1.00 0.00 H new ATOM 18 N THR A 2 -2.145 -2.407 -16.274 1.00 0.00 N ATOM 19 CA THR A 2 -2.068 -1.157 -15.400 1.00 0.00 C ATOM 20 C THR A 2 -3.369 -0.530 -14.860 1.00 0.00 C ATOM 21 O THR A 2 -3.856 0.504 -15.273 1.00 0.00 O ATOM 22 CB THR A 2 -1.282 -0.060 -16.150 1.00 0.00 C ATOM 23 OG1 THR A 2 -1.752 -0.142 -17.480 1.00 0.00 O ATOM 24 CG2 THR A 2 0.154 -0.443 -16.363 1.00 0.00 C ATOM 0 H THR A 2 -1.449 -2.438 -17.019 1.00 0.00 H new ATOM 0 HA THR A 2 -1.580 -1.536 -14.502 1.00 0.00 H new ATOM 0 HB THR A 2 -1.387 0.877 -15.603 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.299 0.531 -18.029 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.669 0.357 -16.894 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.634 -0.606 -15.398 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.203 -1.359 -16.952 1.00 0.00 H new ATOM 32 N TYR A 3 -3.918 -1.222 -13.897 1.00 0.00 N ATOM 33 CA TYR A 3 -5.180 -0.785 -13.207 1.00 0.00 C ATOM 34 C TYR A 3 -4.536 0.228 -12.222 1.00 0.00 C ATOM 35 O TYR A 3 -4.335 -0.011 -11.048 1.00 0.00 O ATOM 36 CB TYR A 3 -5.834 -2.015 -12.470 1.00 0.00 C ATOM 37 CG TYR A 3 -6.022 -3.236 -13.390 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.693 -3.147 -14.595 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.505 -4.461 -13.019 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.839 -4.266 -15.407 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.655 -5.567 -13.832 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.317 -5.475 -15.024 1.00 0.00 C ATOM 43 OH TYR A 3 -6.427 -6.589 -15.827 1.00 0.00 O ATOM 0 H TYR A 3 -3.536 -2.100 -13.546 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.984 -0.384 -13.823 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.210 -2.298 -11.623 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.802 -1.718 -12.067 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.107 -2.200 -14.908 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.977 -4.555 -12.082 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.367 -4.183 -16.345 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.244 -6.516 -13.522 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.704 -6.317 -16.727 1.00 0.00 H new ATOM 53 N THR A 4 -4.219 1.350 -12.802 1.00 0.00 N ATOM 54 CA THR A 4 -3.559 2.512 -12.086 1.00 0.00 C ATOM 55 C THR A 4 -4.095 2.895 -10.711 1.00 0.00 C ATOM 56 O THR A 4 -5.282 2.879 -10.440 1.00 0.00 O ATOM 57 CB THR A 4 -3.615 3.768 -13.002 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.836 4.723 -12.308 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.935 4.491 -13.006 1.00 0.00 C ATOM 0 H THR A 4 -4.394 1.530 -13.791 1.00 0.00 H new ATOM 0 HA THR A 4 -2.549 2.153 -11.890 1.00 0.00 H new ATOM 0 HB THR A 4 -3.344 3.443 -14.007 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.119 5.047 -12.892 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.877 5.351 -13.673 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.718 3.816 -13.352 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.167 4.830 -11.996 1.00 0.00 H new ATOM 67 N VAL A 5 -3.155 3.229 -9.872 1.00 0.00 N ATOM 68 CA VAL A 5 -3.476 3.644 -8.476 1.00 0.00 C ATOM 69 C VAL A 5 -3.202 5.150 -8.328 1.00 0.00 C ATOM 70 O VAL A 5 -2.163 5.671 -8.685 1.00 0.00 O ATOM 71 CB VAL A 5 -2.591 2.823 -7.505 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.929 3.213 -6.052 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.902 1.323 -7.658 1.00 0.00 C ATOM 0 H VAL A 5 -2.160 3.232 -10.098 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.525 3.458 -8.244 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.544 3.025 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.308 2.637 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.739 4.276 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.980 3.002 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.277 0.750 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.952 1.144 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.697 1.012 -8.682 1.00 0.00 H new ATOM 83 N LYS A 6 -4.171 5.805 -7.772 1.00 0.00 N ATOM 84 CA LYS A 6 -4.128 7.271 -7.534 1.00 0.00 C ATOM 85 C LYS A 6 -3.382 7.579 -6.222 1.00 0.00 C ATOM 86 O LYS A 6 -3.866 7.237 -5.158 1.00 0.00 O ATOM 87 CB LYS A 6 -5.566 7.821 -7.403 1.00 0.00 C ATOM 88 CG LYS A 6 -6.463 7.584 -8.634 1.00 0.00 C ATOM 89 CD LYS A 6 -7.908 8.093 -8.270 1.00 0.00 C ATOM 90 CE LYS A 6 -7.922 9.606 -8.021 1.00 0.00 C ATOM 91 NZ LYS A 6 -9.332 9.997 -7.685 1.00 0.00 N ATOM 0 H LYS A 6 -5.035 5.363 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.614 7.737 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.038 7.363 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.514 8.892 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.075 8.119 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.484 6.526 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.596 7.850 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.265 7.573 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.248 9.866 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.576 10.143 -8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.811 10.339 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.841 9.171 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.322 10.752 -6.970 1.00 0.00 H new ATOM 105 N LEU A 7 -2.247 8.206 -6.319 1.00 0.00 N ATOM 106 CA LEU A 7 -1.457 8.558 -5.089 1.00 0.00 C ATOM 107 C LEU A 7 -1.921 9.980 -4.703 1.00 0.00 C ATOM 108 O LEU A 7 -1.218 10.975 -4.684 1.00 0.00 O ATOM 109 CB LEU A 7 0.040 8.499 -5.454 1.00 0.00 C ATOM 110 CG LEU A 7 0.441 7.074 -5.818 1.00 0.00 C ATOM 111 CD1 LEU A 7 0.487 6.881 -7.303 1.00 0.00 C ATOM 112 CD2 LEU A 7 1.835 6.781 -5.270 1.00 0.00 C ATOM 0 H LEU A 7 -1.822 8.496 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.609 7.881 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.243 9.166 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.640 8.849 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.303 6.403 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.776 5.854 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.497 7.082 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.215 7.566 -7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.122 5.762 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.550 7.481 -5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.830 6.891 -4.186 1.00 0.00 H new ATOM 124 N GLY A 8 -3.185 9.960 -4.395 1.00 0.00 N ATOM 125 CA GLY A 8 -3.988 11.159 -3.982 1.00 0.00 C ATOM 126 C GLY A 8 -5.228 11.374 -4.848 1.00 0.00 C ATOM 127 O GLY A 8 -5.354 10.858 -5.946 1.00 0.00 O ATOM 0 H GLY A 8 -3.736 9.102 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.293 11.044 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.358 12.047 -4.033 1.00 0.00 H new ATOM 131 N SER A 9 -6.143 12.146 -4.345 1.00 0.00 N ATOM 132 CA SER A 9 -7.400 12.407 -5.143 1.00 0.00 C ATOM 133 C SER A 9 -7.662 13.889 -5.417 1.00 0.00 C ATOM 134 O SER A 9 -7.359 14.749 -4.614 1.00 0.00 O ATOM 135 CB SER A 9 -8.621 11.826 -4.416 1.00 0.00 C ATOM 136 OG SER A 9 -9.568 11.722 -5.496 1.00 0.00 O ATOM 0 H SER A 9 -6.092 12.606 -3.436 1.00 0.00 H new ATOM 0 HA SER A 9 -7.242 11.919 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.407 10.858 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.975 12.481 -3.620 1.00 0.00 H new ATOM 0 HG SER A 9 -10.411 11.354 -5.158 1.00 0.00 H new ATOM 142 N ASP A 10 -8.257 14.089 -6.558 1.00 0.00 N ATOM 143 CA ASP A 10 -8.615 15.442 -7.074 1.00 0.00 C ATOM 144 C ASP A 10 -7.679 16.599 -6.582 1.00 0.00 C ATOM 145 O ASP A 10 -6.540 16.686 -7.003 1.00 0.00 O ATOM 146 CB ASP A 10 -10.126 15.599 -6.673 1.00 0.00 C ATOM 147 CG ASP A 10 -10.610 16.964 -7.069 1.00 0.00 C ATOM 148 OD1 ASP A 10 -10.697 17.226 -8.247 1.00 0.00 O ATOM 149 OD2 ASP A 10 -10.877 17.744 -6.180 1.00 0.00 O ATOM 0 H ASP A 10 -8.523 13.330 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.468 15.523 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.725 14.832 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.245 15.457 -5.599 1.00 0.00 H new ATOM 154 N LYS A 11 -8.179 17.433 -5.724 1.00 0.00 N ATOM 155 CA LYS A 11 -7.384 18.580 -5.189 1.00 0.00 C ATOM 156 C LYS A 11 -7.157 18.566 -3.653 1.00 0.00 C ATOM 157 O LYS A 11 -6.990 19.625 -3.080 1.00 0.00 O ATOM 158 CB LYS A 11 -8.151 19.823 -5.648 1.00 0.00 C ATOM 159 CG LYS A 11 -8.261 19.799 -7.211 1.00 0.00 C ATOM 160 CD LYS A 11 -9.160 20.960 -7.664 1.00 0.00 C ATOM 161 CE LYS A 11 -10.598 20.734 -7.208 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.209 19.681 -8.062 1.00 0.00 N ATOM 0 H LYS A 11 -9.129 17.372 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.364 18.539 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.144 19.840 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.637 20.726 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.272 19.891 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.676 18.848 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.786 21.898 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.127 21.051 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.619 20.431 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.168 21.660 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.949 19.185 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.629 20.119 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.477 19.002 -8.353 1.00 0.00 H new ATOM 176 N GLY A 12 -7.133 17.417 -3.015 1.00 0.00 N ATOM 177 CA GLY A 12 -6.924 17.409 -1.499 1.00 0.00 C ATOM 178 C GLY A 12 -5.829 16.591 -0.800 1.00 0.00 C ATOM 179 O GLY A 12 -4.843 17.143 -0.361 1.00 0.00 O ATOM 0 H GLY A 12 -7.244 16.501 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.767 18.447 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.871 17.093 -1.060 1.00 0.00 H new ATOM 183 N LEU A 13 -6.005 15.302 -0.708 1.00 0.00 N ATOM 184 CA LEU A 13 -4.967 14.439 -0.020 1.00 0.00 C ATOM 185 C LEU A 13 -4.302 13.332 -0.866 1.00 0.00 C ATOM 186 O LEU A 13 -4.860 12.850 -1.833 1.00 0.00 O ATOM 187 CB LEU A 13 -5.645 13.794 1.223 1.00 0.00 C ATOM 188 CG LEU A 13 -6.165 14.838 2.223 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.891 14.081 3.334 1.00 0.00 C ATOM 190 CD2 LEU A 13 -4.991 15.564 2.879 1.00 0.00 C ATOM 0 H LEU A 13 -6.814 14.799 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.143 15.110 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.474 13.167 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.930 13.141 1.724 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.808 15.551 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.276 14.791 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.719 13.515 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.197 13.397 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.369 16.302 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.366 14.843 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.399 16.065 2.113 1.00 0.00 H new ATOM 202 N LEU A 14 -3.127 12.954 -0.437 1.00 0.00 N ATOM 203 CA LEU A 14 -2.275 11.909 -1.063 1.00 0.00 C ATOM 204 C LEU A 14 -2.605 10.462 -0.596 1.00 0.00 C ATOM 205 O LEU A 14 -1.786 9.753 -0.050 1.00 0.00 O ATOM 206 CB LEU A 14 -0.827 12.351 -0.723 1.00 0.00 C ATOM 207 CG LEU A 14 -0.704 13.047 0.653 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.982 14.560 0.614 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.401 12.297 1.792 1.00 0.00 C ATOM 0 H LEU A 14 -2.696 13.367 0.390 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.444 11.843 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.175 11.478 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.471 13.029 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 14 0.354 12.983 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.876 14.975 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.271 15.043 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.996 14.734 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.270 12.847 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.464 12.206 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.965 11.303 1.893 1.00 0.00 H new ATOM 221 N VAL A 15 -3.823 10.066 -0.835 1.00 0.00 N ATOM 222 CA VAL A 15 -4.281 8.684 -0.439 1.00 0.00 C ATOM 223 C VAL A 15 -3.846 7.624 -1.488 1.00 0.00 C ATOM 224 O VAL A 15 -3.381 7.960 -2.557 1.00 0.00 O ATOM 225 CB VAL A 15 -5.836 8.706 -0.297 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.258 9.821 0.674 1.00 0.00 C ATOM 227 CG2 VAL A 15 -6.517 8.978 -1.656 1.00 0.00 C ATOM 0 H VAL A 15 -4.534 10.637 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.820 8.407 0.509 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.144 7.730 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.344 9.830 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.811 9.641 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.919 10.784 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.599 8.987 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.189 9.944 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.244 8.195 -2.363 1.00 0.00 H new ATOM 237 N PHE A 16 -4.017 6.375 -1.163 1.00 0.00 N ATOM 238 CA PHE A 16 -3.636 5.231 -2.079 1.00 0.00 C ATOM 239 C PHE A 16 -4.893 4.513 -2.636 1.00 0.00 C ATOM 240 O PHE A 16 -5.253 3.467 -2.140 1.00 0.00 O ATOM 241 CB PHE A 16 -2.749 4.273 -1.222 1.00 0.00 C ATOM 242 CG PHE A 16 -1.323 4.012 -1.729 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.820 4.377 -2.965 1.00 0.00 C ATOM 244 CD2 PHE A 16 -0.499 3.349 -0.855 1.00 0.00 C ATOM 245 CE1 PHE A 16 0.488 4.077 -3.298 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.799 3.049 -1.176 1.00 0.00 C ATOM 247 CZ PHE A 16 1.296 3.411 -2.401 1.00 0.00 C ATOM 0 H PHE A 16 -4.417 6.076 -0.274 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.092 5.585 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.682 4.683 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.262 3.315 -1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.450 4.897 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.883 3.056 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.878 4.365 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.427 2.530 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.317 3.175 -2.663 1.00 0.00 H new ATOM 257 N GLU A 17 -5.504 5.073 -3.643 1.00 0.00 N ATOM 258 CA GLU A 17 -6.744 4.426 -4.220 1.00 0.00 C ATOM 259 C GLU A 17 -6.663 3.791 -5.629 1.00 0.00 C ATOM 260 O GLU A 17 -6.126 4.395 -6.533 1.00 0.00 O ATOM 261 CB GLU A 17 -7.844 5.513 -4.180 1.00 0.00 C ATOM 262 CG GLU A 17 -8.302 5.760 -2.696 1.00 0.00 C ATOM 263 CD GLU A 17 -9.188 4.629 -2.177 1.00 0.00 C ATOM 264 OE1 GLU A 17 -8.651 3.554 -1.990 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.352 4.923 -2.010 1.00 0.00 O ATOM 0 H GLU A 17 -5.213 5.940 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.940 3.547 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.467 6.440 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.696 5.203 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.424 5.856 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.845 6.703 -2.636 1.00 0.00 H new ATOM 272 N PRO A 18 -7.189 2.600 -5.826 1.00 0.00 N ATOM 273 CA PRO A 18 -7.985 1.789 -4.836 1.00 0.00 C ATOM 274 C PRO A 18 -7.167 0.880 -3.843 1.00 0.00 C ATOM 275 O PRO A 18 -6.772 -0.228 -4.166 1.00 0.00 O ATOM 276 CB PRO A 18 -8.917 1.031 -5.779 1.00 0.00 C ATOM 277 CG PRO A 18 -7.940 0.646 -6.935 1.00 0.00 C ATOM 278 CD PRO A 18 -7.063 1.905 -7.143 1.00 0.00 C ATOM 0 HA PRO A 18 -8.489 2.407 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.357 0.154 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.742 1.652 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.333 -0.220 -6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.484 0.387 -7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.028 1.647 -7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.425 2.522 -7.965 1.00 0.00 H new ATOM 286 N ALA A 19 -6.934 1.375 -2.660 1.00 0.00 N ATOM 287 CA ALA A 19 -6.171 0.676 -1.566 1.00 0.00 C ATOM 288 C ALA A 19 -6.200 -0.883 -1.560 1.00 0.00 C ATOM 289 O ALA A 19 -5.206 -1.564 -1.367 1.00 0.00 O ATOM 290 CB ALA A 19 -6.735 1.273 -0.261 1.00 0.00 C ATOM 0 H ALA A 19 -7.263 2.300 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.106 0.853 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.233 0.819 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.566 2.350 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.805 1.073 -0.202 1.00 0.00 H new ATOM 296 N LYS A 20 -7.373 -1.402 -1.779 1.00 0.00 N ATOM 297 CA LYS A 20 -7.588 -2.886 -1.804 1.00 0.00 C ATOM 298 C LYS A 20 -7.835 -3.439 -3.230 1.00 0.00 C ATOM 299 O LYS A 20 -8.931 -3.831 -3.583 1.00 0.00 O ATOM 300 CB LYS A 20 -8.791 -3.177 -0.861 1.00 0.00 C ATOM 301 CG LYS A 20 -8.748 -4.606 -0.205 1.00 0.00 C ATOM 302 CD LYS A 20 -9.002 -5.842 -1.166 1.00 0.00 C ATOM 303 CE LYS A 20 -7.828 -6.219 -2.107 1.00 0.00 C ATOM 304 NZ LYS A 20 -7.896 -7.685 -2.362 1.00 0.00 N ATOM 0 H LYS A 20 -8.216 -0.852 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.686 -3.395 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.813 -2.425 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.717 -3.074 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.773 -4.735 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.491 -4.637 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.245 -6.710 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.879 -5.628 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.897 -5.666 -3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.874 -5.955 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.993 -8.126 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.665 -8.100 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.078 -7.854 -3.372 1.00 0.00 H new ATOM 318 N LEU A 21 -6.800 -3.487 -4.022 1.00 0.00 N ATOM 319 CA LEU A 21 -6.955 -4.017 -5.425 1.00 0.00 C ATOM 320 C LEU A 21 -6.531 -5.499 -5.554 1.00 0.00 C ATOM 321 O LEU A 21 -5.575 -5.979 -4.972 1.00 0.00 O ATOM 322 CB LEU A 21 -6.093 -3.112 -6.353 1.00 0.00 C ATOM 323 CG LEU A 21 -6.139 -3.442 -7.906 1.00 0.00 C ATOM 324 CD1 LEU A 21 -5.225 -4.617 -8.263 1.00 0.00 C ATOM 325 CD2 LEU A 21 -7.527 -3.827 -8.457 1.00 0.00 C ATOM 0 H LEU A 21 -5.858 -3.187 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.007 -3.989 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.412 -2.079 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.056 -3.173 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.821 -2.502 -8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.284 -4.812 -9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.197 -4.373 -7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.542 -5.504 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.450 -4.033 -9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.889 -4.716 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.224 -3.004 -8.295 1.00 0.00 H new ATOM 337 N THR A 22 -7.290 -6.213 -6.322 1.00 0.00 N ATOM 338 CA THR A 22 -6.998 -7.666 -6.564 1.00 0.00 C ATOM 339 C THR A 22 -6.611 -7.793 -8.036 1.00 0.00 C ATOM 340 O THR A 22 -7.426 -7.498 -8.886 1.00 0.00 O ATOM 341 CB THR A 22 -8.218 -8.560 -6.355 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.615 -8.399 -4.996 1.00 0.00 O ATOM 343 CG2 THR A 22 -7.815 -10.020 -6.336 1.00 0.00 C ATOM 0 H THR A 22 -8.115 -5.858 -6.805 1.00 0.00 H new ATOM 0 HA THR A 22 -6.222 -7.979 -5.866 1.00 0.00 H new ATOM 0 HB THR A 22 -8.949 -8.313 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.401 -8.957 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.699 -10.640 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.346 -10.280 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.109 -10.192 -5.523 1.00 0.00 H new ATOM 351 N ILE A 23 -5.415 -8.209 -8.307 1.00 0.00 N ATOM 352 CA ILE A 23 -4.953 -8.368 -9.711 1.00 0.00 C ATOM 353 C ILE A 23 -5.084 -9.824 -10.091 1.00 0.00 C ATOM 354 O ILE A 23 -5.398 -10.691 -9.289 1.00 0.00 O ATOM 355 CB ILE A 23 -3.443 -8.002 -9.934 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.550 -8.557 -8.825 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.276 -6.514 -10.169 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.130 -8.766 -9.426 1.00 0.00 C ATOM 0 H ILE A 23 -4.720 -8.452 -7.601 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.565 -7.692 -10.308 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.101 -8.494 -10.844 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.512 -7.866 -7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.949 -9.499 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.221 -6.286 -10.321 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.842 -6.219 -11.053 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.645 -5.965 -9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.465 -9.163 -8.659 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.186 -9.470 -10.256 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.743 -7.812 -9.784 1.00 0.00 H new ATOM 370 N LYS A 24 -4.803 -10.034 -11.327 1.00 0.00 N ATOM 371 CA LYS A 24 -4.875 -11.389 -11.889 1.00 0.00 C ATOM 372 C LYS A 24 -3.458 -12.015 -11.703 1.00 0.00 C ATOM 373 O LYS A 24 -2.523 -11.287 -11.427 1.00 0.00 O ATOM 374 CB LYS A 24 -5.251 -11.207 -13.348 1.00 0.00 C ATOM 375 CG LYS A 24 -6.608 -10.460 -13.476 1.00 0.00 C ATOM 376 CD LYS A 24 -6.496 -9.474 -14.646 1.00 0.00 C ATOM 377 CE LYS A 24 -6.150 -10.216 -15.913 1.00 0.00 C ATOM 378 NZ LYS A 24 -5.779 -9.152 -16.871 1.00 0.00 N ATOM 0 H LYS A 24 -4.520 -9.309 -11.987 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.604 -12.048 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.471 -10.646 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.318 -12.180 -13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.418 -11.168 -13.650 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.841 -9.931 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.437 -8.939 -14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.731 -8.727 -14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.327 -10.912 -15.754 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.996 -10.800 -16.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.012 -9.458 -17.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.305 -8.284 -16.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.758 -8.965 -16.804 1.00 0.00 H new ATOM 392 N PRO A 25 -3.292 -13.308 -11.850 1.00 0.00 N ATOM 393 CA PRO A 25 -1.952 -13.988 -11.769 1.00 0.00 C ATOM 394 C PRO A 25 -0.733 -13.379 -12.541 1.00 0.00 C ATOM 395 O PRO A 25 -0.200 -14.020 -13.422 1.00 0.00 O ATOM 396 CB PRO A 25 -2.309 -15.451 -12.188 1.00 0.00 C ATOM 397 CG PRO A 25 -3.626 -15.277 -12.993 1.00 0.00 C ATOM 398 CD PRO A 25 -4.385 -14.275 -12.137 1.00 0.00 C ATOM 0 HA PRO A 25 -1.534 -13.871 -10.769 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.522 -15.900 -12.795 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.449 -16.096 -11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.443 -14.899 -13.999 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.168 -16.217 -13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.218 -13.817 -12.670 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.794 -14.724 -11.232 1.00 0.00 H new ATOM 406 N GLY A 26 -0.308 -12.178 -12.232 1.00 0.00 N ATOM 407 CA GLY A 26 0.877 -11.578 -12.964 1.00 0.00 C ATOM 408 C GLY A 26 0.656 -10.489 -13.997 1.00 0.00 C ATOM 409 O GLY A 26 1.394 -10.426 -14.960 1.00 0.00 O ATOM 0 H GLY A 26 -0.719 -11.583 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.555 -11.178 -12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.399 -12.396 -13.461 1.00 0.00 H new ATOM 413 N ASP A 27 -0.315 -9.650 -13.797 1.00 0.00 N ATOM 414 CA ASP A 27 -0.549 -8.566 -14.794 1.00 0.00 C ATOM 415 C ASP A 27 0.153 -7.248 -14.308 1.00 0.00 C ATOM 416 O ASP A 27 1.032 -7.297 -13.459 1.00 0.00 O ATOM 417 CB ASP A 27 -2.123 -8.514 -14.938 1.00 0.00 C ATOM 418 CG ASP A 27 -2.840 -7.692 -13.910 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.632 -6.504 -13.937 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.572 -8.285 -13.168 1.00 0.00 O ATOM 0 H ASP A 27 -0.951 -9.663 -13.000 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.114 -8.728 -15.780 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.367 -8.122 -15.925 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.508 -9.533 -14.896 1.00 0.00 H new ATOM 425 N THR A 28 -0.225 -6.124 -14.854 1.00 0.00 N ATOM 426 CA THR A 28 0.382 -4.809 -14.463 1.00 0.00 C ATOM 427 C THR A 28 -0.450 -3.768 -13.708 1.00 0.00 C ATOM 428 O THR A 28 -1.628 -3.556 -13.870 1.00 0.00 O ATOM 429 CB THR A 28 0.922 -4.012 -15.682 1.00 0.00 C ATOM 430 OG1 THR A 28 -0.007 -4.164 -16.744 1.00 0.00 O ATOM 431 CG2 THR A 28 2.190 -4.586 -16.241 1.00 0.00 C ATOM 0 H THR A 28 -0.946 -6.056 -15.572 1.00 0.00 H new ATOM 0 HA THR A 28 1.130 -5.203 -13.775 1.00 0.00 H new ATOM 0 HB THR A 28 1.082 -2.990 -15.339 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.309 -3.668 -17.528 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.518 -3.986 -17.090 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.963 -4.579 -15.472 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.013 -5.611 -16.568 1.00 0.00 H new ATOM 439 N VAL A 29 0.259 -3.128 -12.839 1.00 0.00 N ATOM 440 CA VAL A 29 -0.258 -2.041 -11.961 1.00 0.00 C ATOM 441 C VAL A 29 0.599 -0.765 -12.064 1.00 0.00 C ATOM 442 O VAL A 29 1.807 -0.901 -11.999 1.00 0.00 O ATOM 443 CB VAL A 29 -0.251 -2.509 -10.489 1.00 0.00 C ATOM 444 CG1 VAL A 29 -0.795 -1.386 -9.574 1.00 0.00 C ATOM 445 CG2 VAL A 29 -1.221 -3.680 -10.326 1.00 0.00 C ATOM 0 H VAL A 29 1.248 -3.326 -12.688 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.271 -1.813 -12.292 1.00 0.00 H new ATOM 0 HB VAL A 29 0.771 -2.780 -10.226 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.786 -1.725 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.167 -0.501 -9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.816 -1.140 -9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.218 -4.013 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.226 -3.361 -10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.911 -4.502 -10.971 1.00 0.00 H new ATOM 455 N GLU A 30 0.053 0.403 -12.234 1.00 0.00 N ATOM 456 CA GLU A 30 0.921 1.613 -12.312 1.00 0.00 C ATOM 457 C GLU A 30 0.678 2.620 -11.141 1.00 0.00 C ATOM 458 O GLU A 30 -0.328 2.558 -10.456 1.00 0.00 O ATOM 459 CB GLU A 30 0.670 2.275 -13.671 1.00 0.00 C ATOM 460 CG GLU A 30 -0.766 2.815 -13.686 1.00 0.00 C ATOM 461 CD GLU A 30 -0.974 3.772 -14.825 1.00 0.00 C ATOM 462 OE1 GLU A 30 -1.098 3.277 -15.921 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.991 4.930 -14.465 1.00 0.00 O ATOM 0 H GLU A 30 -0.949 0.575 -12.322 1.00 0.00 H new ATOM 0 HA GLU A 30 1.963 1.307 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.382 3.084 -13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.813 1.555 -14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.468 1.986 -13.771 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.979 3.317 -12.742 1.00 0.00 H new ATOM 470 N PHE A 31 1.588 3.530 -10.962 1.00 0.00 N ATOM 471 CA PHE A 31 1.471 4.552 -9.852 1.00 0.00 C ATOM 472 C PHE A 31 1.179 6.052 -10.176 1.00 0.00 C ATOM 473 O PHE A 31 2.047 6.904 -10.095 1.00 0.00 O ATOM 474 CB PHE A 31 2.786 4.400 -9.040 1.00 0.00 C ATOM 475 CG PHE A 31 2.828 2.981 -8.458 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.102 2.669 -7.327 1.00 0.00 C ATOM 477 CD2 PHE A 31 3.578 1.994 -9.062 1.00 0.00 C ATOM 478 CE1 PHE A 31 2.126 1.390 -6.808 1.00 0.00 C ATOM 479 CE2 PHE A 31 3.606 0.716 -8.550 1.00 0.00 C ATOM 480 CZ PHE A 31 2.880 0.415 -7.422 1.00 0.00 C ATOM 0 H PHE A 31 2.425 3.623 -11.537 1.00 0.00 H new ATOM 0 HA PHE A 31 0.545 4.317 -9.327 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.651 4.574 -9.680 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.827 5.140 -8.241 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.510 3.432 -6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.151 2.226 -9.948 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.555 1.155 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.197 -0.048 -9.033 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.901 -0.586 -7.017 1.00 0.00 H new ATOM 490 N LEU A 32 -0.043 6.338 -10.526 1.00 0.00 N ATOM 491 CA LEU A 32 -0.476 7.740 -10.859 1.00 0.00 C ATOM 492 C LEU A 32 -0.292 8.776 -9.700 1.00 0.00 C ATOM 493 O LEU A 32 -1.145 8.958 -8.848 1.00 0.00 O ATOM 494 CB LEU A 32 -1.959 7.595 -11.324 1.00 0.00 C ATOM 495 CG LEU A 32 -2.681 8.945 -11.509 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.945 9.800 -12.537 1.00 0.00 C ATOM 497 CD2 LEU A 32 -4.057 8.633 -12.089 1.00 0.00 C ATOM 0 H LEU A 32 -0.787 5.644 -10.599 1.00 0.00 H new ATOM 0 HA LEU A 32 0.161 8.164 -11.635 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.984 7.047 -12.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.504 6.998 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.730 9.475 -10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.465 10.750 -12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.927 9.984 -12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.917 9.277 -13.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.608 9.562 -12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.942 8.122 -13.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.606 7.992 -11.399 1.00 0.00 H new ATOM 509 N ASN A 33 0.841 9.428 -9.696 1.00 0.00 N ATOM 510 CA ASN A 33 1.190 10.471 -8.654 1.00 0.00 C ATOM 511 C ASN A 33 0.276 11.730 -8.695 1.00 0.00 C ATOM 512 O ASN A 33 0.740 12.813 -8.971 1.00 0.00 O ATOM 513 CB ASN A 33 2.678 10.852 -8.885 1.00 0.00 C ATOM 514 CG ASN A 33 3.591 9.882 -8.184 1.00 0.00 C ATOM 515 OD1 ASN A 33 3.686 9.830 -6.980 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.312 9.068 -8.855 1.00 0.00 N ATOM 0 H ASN A 33 1.572 9.283 -10.393 1.00 0.00 H new ATOM 0 HA ASN A 33 1.029 10.050 -7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.896 10.857 -9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.861 11.862 -8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.930 8.416 -8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.270 9.070 -9.874 1.00 0.00 H new ATOM 523 N ASN A 34 -0.990 11.556 -8.409 1.00 0.00 N ATOM 524 CA ASN A 34 -2.014 12.685 -8.416 1.00 0.00 C ATOM 525 C ASN A 34 -1.456 14.160 -8.546 1.00 0.00 C ATOM 526 O ASN A 34 -1.029 14.569 -9.608 1.00 0.00 O ATOM 527 CB ASN A 34 -2.857 12.423 -7.104 1.00 0.00 C ATOM 528 CG ASN A 34 -3.891 13.498 -6.815 1.00 0.00 C ATOM 529 OD1 ASN A 34 -3.626 14.447 -6.126 1.00 0.00 O ATOM 530 ND2 ASN A 34 -5.080 13.458 -7.288 1.00 0.00 N ATOM 0 H ASN A 34 -1.384 10.649 -8.160 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.610 12.654 -9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.362 11.461 -7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.177 12.348 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.740 14.205 -7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.367 12.679 -7.880 1.00 0.00 H new ATOM 537 N LYS A 35 -1.483 14.905 -7.483 1.00 0.00 N ATOM 538 CA LYS A 35 -0.983 16.322 -7.441 1.00 0.00 C ATOM 539 C LYS A 35 -0.431 16.652 -6.022 1.00 0.00 C ATOM 540 O LYS A 35 -0.255 17.788 -5.613 1.00 0.00 O ATOM 541 CB LYS A 35 -2.223 17.174 -7.906 1.00 0.00 C ATOM 542 CG LYS A 35 -2.139 18.677 -7.528 1.00 0.00 C ATOM 543 CD LYS A 35 -2.912 18.845 -6.170 1.00 0.00 C ATOM 544 CE LYS A 35 -2.741 20.226 -5.557 1.00 0.00 C ATOM 545 NZ LYS A 35 -1.315 20.327 -5.103 1.00 0.00 N ATOM 0 H LYS A 35 -1.850 14.579 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.134 16.532 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.324 17.088 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.126 16.750 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.101 18.992 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.584 19.297 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.973 18.656 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.561 18.093 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.970 21.003 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.424 20.364 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.284 20.725 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.884 19.381 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.787 20.945 -5.752 1.00 0.00 H new ATOM 559 N VAL A 36 -0.173 15.586 -5.331 1.00 0.00 N ATOM 560 CA VAL A 36 0.365 15.589 -3.923 1.00 0.00 C ATOM 561 C VAL A 36 1.492 14.536 -3.664 1.00 0.00 C ATOM 562 O VAL A 36 1.287 13.565 -2.959 1.00 0.00 O ATOM 563 CB VAL A 36 -0.851 15.358 -2.962 1.00 0.00 C ATOM 564 CG1 VAL A 36 -1.770 16.585 -2.942 1.00 0.00 C ATOM 565 CG2 VAL A 36 -1.724 14.200 -3.470 1.00 0.00 C ATOM 0 H VAL A 36 -0.319 14.646 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 36 0.847 16.550 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.436 15.152 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.607 16.402 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.210 17.454 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.148 16.773 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.564 14.053 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.099 14.437 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.129 13.288 -3.514 1.00 0.00 H new ATOM 575 N PRO A 37 2.647 14.734 -4.255 1.00 0.00 N ATOM 576 CA PRO A 37 3.924 14.099 -3.770 1.00 0.00 C ATOM 577 C PRO A 37 4.282 14.350 -2.255 1.00 0.00 C ATOM 578 O PRO A 37 3.538 14.981 -1.528 1.00 0.00 O ATOM 579 CB PRO A 37 4.946 14.652 -4.805 1.00 0.00 C ATOM 580 CG PRO A 37 4.316 15.983 -5.266 1.00 0.00 C ATOM 581 CD PRO A 37 2.856 15.597 -5.452 1.00 0.00 C ATOM 0 HA PRO A 37 3.882 13.010 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.927 14.808 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.083 13.964 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.438 16.771 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.763 16.346 -6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.196 16.464 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.685 15.060 -6.385 1.00 0.00 H new ATOM 589 N PRO A 38 5.404 13.848 -1.776 1.00 0.00 N ATOM 590 CA PRO A 38 6.344 12.910 -2.469 1.00 0.00 C ATOM 591 C PRO A 38 5.990 11.431 -2.161 1.00 0.00 C ATOM 592 O PRO A 38 5.892 11.008 -1.029 1.00 0.00 O ATOM 593 CB PRO A 38 7.681 13.402 -1.932 1.00 0.00 C ATOM 594 CG PRO A 38 7.347 13.625 -0.426 1.00 0.00 C ATOM 595 CD PRO A 38 5.902 14.200 -0.413 1.00 0.00 C ATOM 0 HA PRO A 38 6.320 12.914 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.475 12.668 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.007 14.320 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.405 12.691 0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.051 14.317 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.293 13.750 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.895 15.277 -0.243 1.00 0.00 H new ATOM 603 N HIS A 39 5.815 10.652 -3.183 1.00 0.00 N ATOM 604 CA HIS A 39 5.457 9.207 -2.979 1.00 0.00 C ATOM 605 C HIS A 39 6.597 8.172 -3.143 1.00 0.00 C ATOM 606 O HIS A 39 6.877 7.668 -4.209 1.00 0.00 O ATOM 607 CB HIS A 39 4.296 8.898 -3.951 1.00 0.00 C ATOM 608 CG HIS A 39 3.007 9.670 -3.619 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.165 9.316 -2.650 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.526 10.794 -4.265 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.203 10.214 -2.733 1.00 0.00 C ATOM 612 NE2 HIS A 39 1.423 11.061 -3.664 1.00 0.00 N ATOM 0 H HIS A 39 5.902 10.943 -4.157 1.00 0.00 H new ATOM 0 HA HIS A 39 5.188 9.094 -1.929 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.606 9.142 -4.967 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.087 7.828 -3.929 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.245 8.535 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.976 11.327 -5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.334 10.231 -2.092 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.808 11.841 -3.897 1.00 0.00 H new ATOM 620 N ASN A 40 7.240 7.874 -2.054 1.00 0.00 N ATOM 621 CA ASN A 40 8.363 6.878 -2.068 1.00 0.00 C ATOM 622 C ASN A 40 7.746 5.562 -1.549 1.00 0.00 C ATOM 623 O ASN A 40 7.459 5.472 -0.370 1.00 0.00 O ATOM 624 CB ASN A 40 9.500 7.382 -1.125 1.00 0.00 C ATOM 625 CG ASN A 40 10.568 6.314 -0.979 1.00 0.00 C ATOM 626 OD1 ASN A 40 11.457 6.359 -0.159 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.576 5.286 -1.740 1.00 0.00 N ATOM 0 H ASN A 40 7.040 8.278 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 40 8.800 6.739 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.940 8.294 -1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.088 7.632 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.300 4.576 -1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.858 5.176 -2.457 1.00 0.00 H new ATOM 634 N VAL A 41 7.555 4.594 -2.407 1.00 0.00 N ATOM 635 CA VAL A 41 6.944 3.308 -1.912 1.00 0.00 C ATOM 636 C VAL A 41 7.777 2.019 -1.916 1.00 0.00 C ATOM 637 O VAL A 41 8.518 1.687 -2.822 1.00 0.00 O ATOM 638 CB VAL A 41 5.653 3.006 -2.713 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.829 4.289 -2.895 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.948 2.477 -4.135 1.00 0.00 C ATOM 0 H VAL A 41 7.785 4.626 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 41 6.801 3.534 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 41 5.117 2.250 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.924 4.063 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.557 4.688 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.420 5.027 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.009 2.282 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.519 3.222 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.524 1.554 -4.068 1.00 0.00 H new ATOM 650 N VAL A 42 7.589 1.328 -0.843 1.00 0.00 N ATOM 651 CA VAL A 42 8.258 0.022 -0.573 1.00 0.00 C ATOM 652 C VAL A 42 7.246 -1.139 -0.402 1.00 0.00 C ATOM 653 O VAL A 42 6.205 -0.975 0.205 1.00 0.00 O ATOM 654 CB VAL A 42 9.122 0.192 0.718 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.486 0.758 0.331 1.00 0.00 C ATOM 656 CG2 VAL A 42 8.518 1.263 1.637 1.00 0.00 C ATOM 0 H VAL A 42 6.964 1.626 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 42 8.879 -0.244 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 42 9.176 -0.781 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.096 0.880 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.983 0.073 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.354 1.726 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.134 1.366 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.481 2.216 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.509 0.968 1.925 1.00 0.00 H new ATOM 666 N PHE A 43 7.539 -2.290 -0.935 1.00 0.00 N ATOM 667 CA PHE A 43 6.586 -3.447 -0.776 1.00 0.00 C ATOM 668 C PHE A 43 7.234 -4.286 0.345 1.00 0.00 C ATOM 669 O PHE A 43 8.444 -4.197 0.480 1.00 0.00 O ATOM 670 CB PHE A 43 6.448 -4.261 -2.104 1.00 0.00 C ATOM 671 CG PHE A 43 5.473 -3.622 -3.122 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.363 -2.256 -3.335 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.674 -4.460 -3.870 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.485 -1.750 -4.274 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.796 -3.959 -4.806 1.00 0.00 C ATOM 676 CZ PHE A 43 3.700 -2.605 -5.009 1.00 0.00 C ATOM 0 H PHE A 43 8.384 -2.489 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 43 5.570 -3.134 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.431 -4.357 -2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.106 -5.269 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.973 -1.577 -2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.737 -5.528 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.416 -0.684 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.181 -4.634 -5.382 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.011 -2.214 -5.743 1.00 0.00 H new ATOM 686 N ASP A 44 6.523 -5.052 1.124 1.00 0.00 N ATOM 687 CA ASP A 44 7.263 -5.823 2.199 1.00 0.00 C ATOM 688 C ASP A 44 7.383 -7.379 2.209 1.00 0.00 C ATOM 689 O ASP A 44 6.902 -8.082 1.349 1.00 0.00 O ATOM 690 CB ASP A 44 6.650 -5.302 3.531 1.00 0.00 C ATOM 691 CG ASP A 44 7.771 -5.223 4.526 1.00 0.00 C ATOM 692 OD1 ASP A 44 8.545 -4.308 4.317 1.00 0.00 O ATOM 693 OD2 ASP A 44 7.783 -6.087 5.371 1.00 0.00 O ATOM 0 H ASP A 44 5.513 -5.185 1.081 1.00 0.00 H new ATOM 0 HA ASP A 44 8.315 -5.622 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.191 -4.324 3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.867 -5.973 3.884 1.00 0.00 H new ATOM 698 N ALA A 45 8.056 -7.816 3.238 1.00 0.00 N ATOM 699 CA ALA A 45 8.365 -9.234 3.560 1.00 0.00 C ATOM 700 C ALA A 45 7.465 -9.783 4.697 1.00 0.00 C ATOM 701 O ALA A 45 7.090 -10.942 4.699 1.00 0.00 O ATOM 702 CB ALA A 45 9.852 -9.269 3.949 1.00 0.00 C ATOM 0 H ALA A 45 8.438 -7.175 3.933 1.00 0.00 H new ATOM 0 HA ALA A 45 8.166 -9.877 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.139 -10.291 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.455 -8.916 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.017 -8.625 4.813 1.00 0.00 H new ATOM 708 N ALA A 46 7.145 -8.942 5.643 1.00 0.00 N ATOM 709 CA ALA A 46 6.277 -9.374 6.784 1.00 0.00 C ATOM 710 C ALA A 46 4.854 -9.676 6.238 1.00 0.00 C ATOM 711 O ALA A 46 4.244 -10.690 6.516 1.00 0.00 O ATOM 712 CB ALA A 46 6.323 -8.208 7.798 1.00 0.00 C ATOM 0 H ALA A 46 7.448 -7.969 5.678 1.00 0.00 H new ATOM 0 HA ALA A 46 6.607 -10.288 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.708 -8.454 8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.352 -8.045 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.942 -7.302 7.328 1.00 0.00 H new ATOM 718 N LEU A 47 4.367 -8.767 5.443 1.00 0.00 N ATOM 719 CA LEU A 47 3.003 -8.919 4.833 1.00 0.00 C ATOM 720 C LEU A 47 3.110 -9.658 3.467 1.00 0.00 C ATOM 721 O LEU A 47 2.766 -9.206 2.394 1.00 0.00 O ATOM 722 CB LEU A 47 2.397 -7.492 4.692 1.00 0.00 C ATOM 723 CG LEU A 47 1.932 -6.924 6.060 1.00 0.00 C ATOM 724 CD1 LEU A 47 3.113 -6.624 6.982 1.00 0.00 C ATOM 725 CD2 LEU A 47 1.211 -5.612 5.821 1.00 0.00 C ATOM 0 H LEU A 47 4.857 -7.911 5.182 1.00 0.00 H new ATOM 0 HA LEU A 47 2.348 -9.524 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.139 -6.824 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.551 -7.523 4.005 1.00 0.00 H new ATOM 0 HG LEU A 47 1.291 -7.671 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.744 -6.228 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.673 -7.541 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.765 -5.889 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.878 -5.201 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.888 -4.907 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.347 -5.783 5.178 1.00 0.00 H new ATOM 737 N ASN A 48 3.647 -10.837 3.606 1.00 0.00 N ATOM 738 CA ASN A 48 3.877 -11.799 2.475 1.00 0.00 C ATOM 739 C ASN A 48 3.440 -13.233 2.869 1.00 0.00 C ATOM 740 O ASN A 48 4.175 -13.920 3.563 1.00 0.00 O ATOM 741 CB ASN A 48 5.369 -11.856 2.095 1.00 0.00 C ATOM 742 CG ASN A 48 5.847 -10.839 1.108 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.938 -10.981 0.602 1.00 0.00 O ATOM 744 ND2 ASN A 48 5.135 -9.829 0.781 1.00 0.00 N ATOM 0 H ASN A 48 3.955 -11.198 4.509 1.00 0.00 H new ATOM 0 HA ASN A 48 3.286 -11.442 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.957 -11.749 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.581 -12.847 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.488 -9.155 0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.214 -9.697 1.199 1.00 0.00 H new ATOM 751 N PRO A 49 2.287 -13.692 2.443 1.00 0.00 N ATOM 752 CA PRO A 49 2.007 -15.158 2.336 1.00 0.00 C ATOM 753 C PRO A 49 3.311 -16.003 2.252 1.00 0.00 C ATOM 754 O PRO A 49 3.544 -16.907 3.036 1.00 0.00 O ATOM 755 CB PRO A 49 1.061 -15.200 1.099 1.00 0.00 C ATOM 756 CG PRO A 49 0.852 -13.684 0.701 1.00 0.00 C ATOM 757 CD PRO A 49 1.127 -12.889 1.978 1.00 0.00 C ATOM 0 HA PRO A 49 1.539 -15.617 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.505 -15.767 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.113 -15.680 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.532 -13.390 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.161 -13.509 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.375 -11.845 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.291 -12.896 2.677 1.00 0.00 H new ATOM 765 N ALA A 50 4.134 -15.641 1.305 1.00 0.00 N ATOM 766 CA ALA A 50 5.445 -16.333 1.067 1.00 0.00 C ATOM 767 C ALA A 50 6.755 -15.543 1.432 1.00 0.00 C ATOM 768 O ALA A 50 7.761 -15.695 0.785 1.00 0.00 O ATOM 769 CB ALA A 50 5.395 -16.722 -0.414 1.00 0.00 C ATOM 0 H ALA A 50 3.950 -14.870 0.663 1.00 0.00 H new ATOM 0 HA ALA A 50 5.532 -17.176 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.316 -17.237 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.545 -17.382 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.288 -15.824 -1.023 1.00 0.00 H new ATOM 775 N LYS A 51 6.683 -14.736 2.462 1.00 0.00 N ATOM 776 CA LYS A 51 7.847 -13.898 2.971 1.00 0.00 C ATOM 777 C LYS A 51 9.118 -13.753 2.069 1.00 0.00 C ATOM 778 O LYS A 51 10.211 -14.171 2.394 1.00 0.00 O ATOM 779 CB LYS A 51 8.222 -14.485 4.402 1.00 0.00 C ATOM 780 CG LYS A 51 8.276 -16.050 4.433 1.00 0.00 C ATOM 781 CD LYS A 51 7.101 -16.648 5.303 1.00 0.00 C ATOM 782 CE LYS A 51 5.754 -16.145 4.808 1.00 0.00 C ATOM 783 NZ LYS A 51 4.652 -16.874 5.503 1.00 0.00 N ATOM 0 H LYS A 51 5.828 -14.610 3.005 1.00 0.00 H new ATOM 0 HA LYS A 51 7.494 -12.867 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.190 -14.089 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.491 -14.139 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.213 -16.438 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.234 -16.375 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.127 -17.737 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.237 -16.369 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.666 -15.074 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.675 -16.291 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.908 -17.114 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.026 -17.747 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.253 -16.270 6.250 1.00 0.00 H new ATOM 797 N SER A 52 8.896 -13.118 0.954 1.00 0.00 N ATOM 798 CA SER A 52 9.977 -12.865 -0.075 1.00 0.00 C ATOM 799 C SER A 52 10.519 -11.423 -0.069 1.00 0.00 C ATOM 800 O SER A 52 10.211 -10.610 -0.920 1.00 0.00 O ATOM 801 CB SER A 52 9.397 -13.204 -1.469 1.00 0.00 C ATOM 802 OG SER A 52 8.184 -12.445 -1.606 1.00 0.00 O ATOM 0 H SER A 52 7.983 -12.746 0.693 1.00 0.00 H new ATOM 0 HA SER A 52 10.827 -13.499 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.106 -12.947 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.197 -14.272 -1.556 1.00 0.00 H new ATOM 0 HG SER A 52 8.393 -11.488 -1.586 1.00 0.00 H new ATOM 808 N ALA A 53 11.318 -11.126 0.925 1.00 0.00 N ATOM 809 CA ALA A 53 11.941 -9.757 1.075 1.00 0.00 C ATOM 810 C ALA A 53 12.552 -9.272 -0.269 1.00 0.00 C ATOM 811 O ALA A 53 12.372 -8.148 -0.706 1.00 0.00 O ATOM 812 CB ALA A 53 12.999 -9.887 2.196 1.00 0.00 C ATOM 0 H ALA A 53 11.576 -11.785 1.660 1.00 0.00 H new ATOM 0 HA ALA A 53 11.201 -9.003 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.486 -8.924 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.513 -10.201 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.745 -10.628 1.908 1.00 0.00 H new ATOM 818 N ASP A 54 13.263 -10.200 -0.829 1.00 0.00 N ATOM 819 CA ASP A 54 13.977 -10.081 -2.127 1.00 0.00 C ATOM 820 C ASP A 54 13.002 -9.433 -3.160 1.00 0.00 C ATOM 821 O ASP A 54 13.186 -8.323 -3.641 1.00 0.00 O ATOM 822 CB ASP A 54 14.422 -11.568 -2.375 1.00 0.00 C ATOM 823 CG ASP A 54 13.260 -12.525 -2.153 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.093 -12.884 -1.004 1.00 0.00 O ATOM 825 OD2 ASP A 54 12.601 -12.828 -3.120 1.00 0.00 O ATOM 0 H ASP A 54 13.387 -11.116 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 54 14.850 -9.432 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.797 -11.675 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.242 -11.823 -1.704 1.00 0.00 H new ATOM 830 N LEU A 55 11.966 -10.158 -3.467 1.00 0.00 N ATOM 831 CA LEU A 55 10.941 -9.668 -4.432 1.00 0.00 C ATOM 832 C LEU A 55 10.336 -8.385 -3.847 1.00 0.00 C ATOM 833 O LEU A 55 10.399 -7.340 -4.458 1.00 0.00 O ATOM 834 CB LEU A 55 9.867 -10.769 -4.611 1.00 0.00 C ATOM 835 CG LEU A 55 8.655 -10.218 -5.413 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.098 -9.735 -6.800 1.00 0.00 C ATOM 837 CD2 LEU A 55 7.672 -11.357 -5.617 1.00 0.00 C ATOM 0 H LEU A 55 11.781 -11.085 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 55 11.370 -9.450 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.297 -11.624 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.535 -11.124 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 55 8.212 -9.387 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.235 -9.353 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.838 -8.942 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.537 -10.566 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.810 -10.997 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.156 -12.161 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.343 -11.732 -4.648 1.00 0.00 H new ATOM 849 N ALA A 56 9.767 -8.482 -2.678 1.00 0.00 N ATOM 850 CA ALA A 56 9.140 -7.302 -2.000 1.00 0.00 C ATOM 851 C ALA A 56 9.853 -5.965 -2.337 1.00 0.00 C ATOM 852 O ALA A 56 9.280 -5.049 -2.887 1.00 0.00 O ATOM 853 CB ALA A 56 9.168 -7.613 -0.495 1.00 0.00 C ATOM 0 H ALA A 56 9.707 -9.351 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 56 8.119 -7.156 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.722 -6.785 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.602 -8.524 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.200 -7.750 -0.171 1.00 0.00 H new ATOM 859 N LYS A 57 11.111 -5.859 -2.029 1.00 0.00 N ATOM 860 CA LYS A 57 11.796 -4.564 -2.351 1.00 0.00 C ATOM 861 C LYS A 57 12.151 -4.422 -3.842 1.00 0.00 C ATOM 862 O LYS A 57 11.943 -3.347 -4.367 1.00 0.00 O ATOM 863 CB LYS A 57 13.075 -4.459 -1.453 1.00 0.00 C ATOM 864 CG LYS A 57 12.756 -4.632 0.069 1.00 0.00 C ATOM 865 CD LYS A 57 11.532 -3.755 0.467 1.00 0.00 C ATOM 866 CE LYS A 57 11.347 -3.689 1.985 1.00 0.00 C ATOM 867 NZ LYS A 57 10.012 -3.084 2.216 1.00 0.00 N ATOM 0 H LYS A 57 11.684 -6.577 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 57 11.109 -3.745 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.793 -5.220 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.549 -3.491 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.548 -5.679 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.624 -4.349 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.664 -2.747 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.630 -4.161 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.405 -4.684 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.131 -3.089 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.120 -2.197 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.558 -2.885 1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.421 -3.745 2.760 1.00 0.00 H new ATOM 881 N SER A 58 12.652 -5.442 -4.489 1.00 0.00 N ATOM 882 CA SER A 58 12.993 -5.295 -5.962 1.00 0.00 C ATOM 883 C SER A 58 11.731 -4.928 -6.770 1.00 0.00 C ATOM 884 O SER A 58 11.814 -4.361 -7.841 1.00 0.00 O ATOM 885 CB SER A 58 13.585 -6.609 -6.502 1.00 0.00 C ATOM 886 OG SER A 58 12.574 -7.580 -6.269 1.00 0.00 O ATOM 0 H SER A 58 12.842 -6.359 -4.084 1.00 0.00 H new ATOM 0 HA SER A 58 13.729 -4.498 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.822 -6.530 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.510 -6.868 -5.987 1.00 0.00 H new ATOM 0 HG SER A 58 12.628 -7.892 -5.342 1.00 0.00 H new ATOM 892 N LEU A 59 10.611 -5.288 -6.207 1.00 0.00 N ATOM 893 CA LEU A 59 9.264 -5.024 -6.802 1.00 0.00 C ATOM 894 C LEU A 59 8.898 -3.562 -6.403 1.00 0.00 C ATOM 895 O LEU A 59 8.607 -2.748 -7.264 1.00 0.00 O ATOM 896 CB LEU A 59 8.276 -6.073 -6.202 1.00 0.00 C ATOM 897 CG LEU A 59 6.878 -6.143 -6.902 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.206 -4.774 -6.973 1.00 0.00 C ATOM 899 CD2 LEU A 59 7.046 -6.621 -8.344 1.00 0.00 C ATOM 0 H LEU A 59 10.572 -5.779 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 59 9.230 -5.117 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.741 -7.058 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.126 -5.846 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 59 6.266 -6.826 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.239 -4.869 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.063 -4.386 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.836 -4.088 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.070 -6.668 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.686 -5.925 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.501 -7.611 -8.348 1.00 0.00 H new ATOM 911 N SER A 60 8.884 -3.198 -5.133 1.00 0.00 N ATOM 912 CA SER A 60 8.529 -1.767 -4.853 1.00 0.00 C ATOM 913 C SER A 60 9.441 -0.645 -5.381 1.00 0.00 C ATOM 914 O SER A 60 10.653 -0.677 -5.329 1.00 0.00 O ATOM 915 CB SER A 60 8.435 -1.616 -3.408 1.00 0.00 C ATOM 916 OG SER A 60 9.705 -1.923 -2.828 1.00 0.00 O ATOM 0 H SER A 60 9.089 -3.789 -4.328 1.00 0.00 H new ATOM 0 HA SER A 60 7.605 -1.621 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.140 -0.598 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.668 -2.279 -3.009 1.00 0.00 H new ATOM 0 HG SER A 60 10.319 -2.229 -3.528 1.00 0.00 H new ATOM 922 N HIS A 61 8.800 0.376 -5.869 1.00 0.00 N ATOM 923 CA HIS A 61 9.535 1.554 -6.426 1.00 0.00 C ATOM 924 C HIS A 61 10.007 2.513 -5.287 1.00 0.00 C ATOM 925 O HIS A 61 9.558 3.636 -5.128 1.00 0.00 O ATOM 926 CB HIS A 61 8.533 2.180 -7.429 1.00 0.00 C ATOM 927 CG HIS A 61 9.140 3.362 -8.157 1.00 0.00 C ATOM 928 ND1 HIS A 61 9.358 4.507 -7.621 1.00 0.00 N ATOM 929 CD2 HIS A 61 9.569 3.502 -9.456 1.00 0.00 C ATOM 930 CE1 HIS A 61 9.880 5.308 -8.499 1.00 0.00 C ATOM 931 NE2 HIS A 61 10.028 4.718 -9.658 1.00 0.00 N ATOM 0 H HIS A 61 7.783 0.450 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 61 10.466 1.297 -6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.222 1.426 -8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.637 2.500 -6.898 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.152 4.751 -6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.534 2.724 -10.204 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.157 6.332 -8.298 1.00 0.00 H new ATOM 939 N LYS A 62 10.931 2.007 -4.513 1.00 0.00 N ATOM 940 CA LYS A 62 11.529 2.766 -3.347 1.00 0.00 C ATOM 941 C LYS A 62 12.187 4.120 -3.674 1.00 0.00 C ATOM 942 O LYS A 62 12.876 4.678 -2.835 1.00 0.00 O ATOM 943 CB LYS A 62 12.613 1.929 -2.688 1.00 0.00 C ATOM 944 CG LYS A 62 12.841 2.387 -1.192 1.00 0.00 C ATOM 945 CD LYS A 62 14.302 2.928 -0.990 1.00 0.00 C ATOM 946 CE LYS A 62 14.389 3.899 0.203 1.00 0.00 C ATOM 947 NZ LYS A 62 13.817 5.201 -0.264 1.00 0.00 N ATOM 0 H LYS A 62 11.315 1.070 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 62 10.666 2.966 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.332 0.876 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.543 2.023 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.122 3.163 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.663 1.548 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.981 2.091 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.631 3.435 -1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.831 3.515 1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.422 4.023 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.442 5.979 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.735 5.192 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.875 5.337 0.156 1.00 0.00 H new ATOM 961 N GLN A 63 11.982 4.639 -4.835 1.00 0.00 N ATOM 962 CA GLN A 63 12.630 5.941 -5.139 1.00 0.00 C ATOM 963 C GLN A 63 11.800 7.168 -4.641 1.00 0.00 C ATOM 964 O GLN A 63 10.880 7.026 -3.859 1.00 0.00 O ATOM 965 CB GLN A 63 12.858 5.971 -6.670 1.00 0.00 C ATOM 966 CG GLN A 63 13.851 4.833 -7.084 1.00 0.00 C ATOM 967 CD GLN A 63 14.197 4.949 -8.559 1.00 0.00 C ATOM 968 OE1 GLN A 63 14.710 5.938 -9.017 1.00 0.00 O ATOM 969 NE2 GLN A 63 13.955 3.988 -9.373 1.00 0.00 N ATOM 0 H GLN A 63 11.409 4.237 -5.577 1.00 0.00 H new ATOM 0 HA GLN A 63 13.575 6.024 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.909 5.844 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.258 6.940 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.759 4.897 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.404 3.859 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.522 3.129 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.196 4.082 -10.360 1.00 0.00 H new ATOM 978 N LEU A 64 12.129 8.343 -5.093 1.00 0.00 N ATOM 979 CA LEU A 64 11.387 9.584 -4.663 1.00 0.00 C ATOM 980 C LEU A 64 10.413 10.186 -5.715 1.00 0.00 C ATOM 981 O LEU A 64 10.745 11.103 -6.442 1.00 0.00 O ATOM 982 CB LEU A 64 12.473 10.624 -4.245 1.00 0.00 C ATOM 983 CG LEU A 64 13.149 10.236 -2.919 1.00 0.00 C ATOM 984 CD1 LEU A 64 14.350 11.160 -2.717 1.00 0.00 C ATOM 985 CD2 LEU A 64 12.185 10.545 -1.765 1.00 0.00 C ATOM 0 H LEU A 64 12.890 8.510 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 64 10.723 9.311 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.226 10.699 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.016 11.609 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 64 13.430 9.183 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.850 10.907 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.047 11.037 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.010 12.195 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.652 10.274 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.950 11.609 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.267 9.971 -1.894 1.00 0.00 H new ATOM 997 N LEU A 65 9.212 9.675 -5.789 1.00 0.00 N ATOM 998 CA LEU A 65 8.241 10.234 -6.793 1.00 0.00 C ATOM 999 C LEU A 65 7.725 11.614 -6.282 1.00 0.00 C ATOM 1000 O LEU A 65 6.721 11.733 -5.608 1.00 0.00 O ATOM 1001 CB LEU A 65 7.098 9.192 -6.960 1.00 0.00 C ATOM 1002 CG LEU A 65 7.654 7.887 -7.575 1.00 0.00 C ATOM 1003 CD1 LEU A 65 6.622 6.768 -7.437 1.00 0.00 C ATOM 1004 CD2 LEU A 65 7.867 8.097 -9.077 1.00 0.00 C ATOM 0 H LEU A 65 8.860 8.910 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 65 8.702 10.405 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.643 8.982 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.315 9.599 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 65 8.582 7.629 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.019 5.851 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.402 6.604 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.707 7.050 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.259 7.182 -9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.917 8.350 -9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.577 8.909 -9.234 1.00 0.00 H new ATOM 1016 N MET A 66 8.467 12.630 -6.625 1.00 0.00 N ATOM 1017 CA MET A 66 8.142 14.051 -6.225 1.00 0.00 C ATOM 1018 C MET A 66 7.362 14.865 -7.285 1.00 0.00 C ATOM 1019 O MET A 66 7.362 16.078 -7.322 1.00 0.00 O ATOM 1020 CB MET A 66 9.462 14.724 -5.927 1.00 0.00 C ATOM 1021 CG MET A 66 10.171 14.037 -4.749 1.00 0.00 C ATOM 1022 SD MET A 66 11.777 14.714 -4.270 1.00 0.00 S ATOM 1023 CE MET A 66 12.765 13.982 -5.601 1.00 0.00 C ATOM 0 H MET A 66 9.315 12.542 -7.184 1.00 0.00 H new ATOM 0 HA MET A 66 7.474 14.015 -5.365 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.100 14.691 -6.810 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.295 15.775 -5.694 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.511 14.078 -3.882 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.305 12.984 -4.998 1.00 0.00 H new ATOM 0 HE1 MET A 66 13.536 13.342 -5.172 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.120 13.389 -6.249 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.234 14.775 -6.184 1.00 0.00 H new ATOM 1033 N SER A 67 6.700 14.123 -8.104 1.00 0.00 N ATOM 1034 CA SER A 67 5.874 14.711 -9.218 1.00 0.00 C ATOM 1035 C SER A 67 4.357 14.746 -8.959 1.00 0.00 C ATOM 1036 O SER A 67 3.865 14.094 -8.058 1.00 0.00 O ATOM 1037 CB SER A 67 6.112 13.901 -10.488 1.00 0.00 C ATOM 1038 OG SER A 67 7.282 14.464 -11.068 1.00 0.00 O ATOM 0 H SER A 67 6.685 13.104 -8.062 1.00 0.00 H new ATOM 0 HA SER A 67 6.198 15.748 -9.305 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.253 12.844 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.262 13.971 -11.166 1.00 0.00 H new ATOM 0 HG SER A 67 7.122 14.644 -12.018 1.00 0.00 H new ATOM 1044 N PRO A 68 3.654 15.511 -9.761 1.00 0.00 N ATOM 1045 CA PRO A 68 2.220 15.244 -10.071 1.00 0.00 C ATOM 1046 C PRO A 68 2.115 14.236 -11.258 1.00 0.00 C ATOM 1047 O PRO A 68 3.080 13.987 -11.952 1.00 0.00 O ATOM 1048 CB PRO A 68 1.704 16.645 -10.362 1.00 0.00 C ATOM 1049 CG PRO A 68 2.885 17.204 -11.215 1.00 0.00 C ATOM 1050 CD PRO A 68 4.154 16.740 -10.449 1.00 0.00 C ATOM 0 HA PRO A 68 1.634 14.765 -9.286 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.763 16.635 -10.911 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.537 17.224 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.865 16.809 -12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.841 18.290 -11.294 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.984 16.524 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.504 17.492 -9.742 1.00 0.00 H new ATOM 1058 N GLY A 69 0.954 13.690 -11.478 1.00 0.00 N ATOM 1059 CA GLY A 69 0.709 12.689 -12.598 1.00 0.00 C ATOM 1060 C GLY A 69 1.715 11.517 -12.739 1.00 0.00 C ATOM 1061 O GLY A 69 1.363 10.389 -12.467 1.00 0.00 O ATOM 0 H GLY A 69 0.126 13.892 -10.918 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.285 12.265 -12.459 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.694 13.235 -13.541 1.00 0.00 H new ATOM 1065 N GLN A 70 2.923 11.794 -13.157 1.00 0.00 N ATOM 1066 CA GLN A 70 4.011 10.756 -13.343 1.00 0.00 C ATOM 1067 C GLN A 70 3.752 9.305 -12.829 1.00 0.00 C ATOM 1068 O GLN A 70 4.022 9.006 -11.682 1.00 0.00 O ATOM 1069 CB GLN A 70 5.305 11.325 -12.679 1.00 0.00 C ATOM 1070 CG GLN A 70 6.180 12.168 -13.692 1.00 0.00 C ATOM 1071 CD GLN A 70 5.602 13.520 -14.077 1.00 0.00 C ATOM 1072 OE1 GLN A 70 5.755 14.506 -13.399 1.00 0.00 O ATOM 1073 NE2 GLN A 70 4.924 13.653 -15.157 1.00 0.00 N ATOM 0 H GLN A 70 3.223 12.740 -13.391 1.00 0.00 H new ATOM 0 HA GLN A 70 4.079 10.609 -14.421 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.030 11.952 -11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.901 10.501 -12.286 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.166 12.324 -13.253 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.324 11.581 -14.599 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.768 12.848 -15.763 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.541 14.564 -15.410 1.00 0.00 H new ATOM 1082 N SER A 71 3.245 8.449 -13.676 1.00 0.00 N ATOM 1083 CA SER A 71 2.973 7.025 -13.237 1.00 0.00 C ATOM 1084 C SER A 71 3.963 6.005 -13.821 1.00 0.00 C ATOM 1085 O SER A 71 4.350 6.080 -14.970 1.00 0.00 O ATOM 1086 CB SER A 71 1.573 6.574 -13.671 1.00 0.00 C ATOM 1087 OG SER A 71 1.441 5.313 -13.015 1.00 0.00 O ATOM 0 H SER A 71 3.006 8.659 -14.645 1.00 0.00 H new ATOM 0 HA SER A 71 3.074 7.045 -12.152 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.803 7.279 -13.356 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.494 6.479 -14.754 1.00 0.00 H new ATOM 0 HG SER A 71 0.497 5.150 -12.807 1.00 0.00 H new ATOM 1093 N THR A 72 4.363 5.076 -13.003 1.00 0.00 N ATOM 1094 CA THR A 72 5.332 3.995 -13.445 1.00 0.00 C ATOM 1095 C THR A 72 4.581 2.659 -13.429 1.00 0.00 C ATOM 1096 O THR A 72 3.676 2.527 -12.630 1.00 0.00 O ATOM 1097 CB THR A 72 6.536 3.932 -12.478 1.00 0.00 C ATOM 1098 OG1 THR A 72 7.311 2.877 -13.018 1.00 0.00 O ATOM 1099 CG2 THR A 72 6.245 3.341 -11.121 1.00 0.00 C ATOM 0 H THR A 72 4.065 5.005 -12.030 1.00 0.00 H new ATOM 0 HA THR A 72 5.709 4.211 -14.445 1.00 0.00 H new ATOM 0 HB THR A 72 6.928 4.944 -12.379 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.115 2.750 -12.473 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.155 3.343 -10.521 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.480 3.935 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.890 2.317 -11.239 1.00 0.00 H new ATOM 1107 N SER A 73 4.930 1.706 -14.247 1.00 0.00 N ATOM 1108 CA SER A 73 4.195 0.374 -14.261 1.00 0.00 C ATOM 1109 C SER A 73 4.966 -0.874 -13.803 1.00 0.00 C ATOM 1110 O SER A 73 6.044 -1.157 -14.281 1.00 0.00 O ATOM 1111 CB SER A 73 3.680 0.143 -15.696 1.00 0.00 C ATOM 1112 OG SER A 73 4.839 -0.105 -16.491 1.00 0.00 O ATOM 0 H SER A 73 5.696 1.777 -14.917 1.00 0.00 H new ATOM 0 HA SER A 73 3.411 0.478 -13.510 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.992 -0.702 -15.733 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.135 1.014 -16.061 1.00 0.00 H new ATOM 0 HG SER A 73 5.544 -0.491 -15.930 1.00 0.00 H new ATOM 1118 N THR A 74 4.395 -1.604 -12.885 1.00 0.00 N ATOM 1119 CA THR A 74 5.058 -2.863 -12.362 1.00 0.00 C ATOM 1120 C THR A 74 4.210 -4.118 -12.647 1.00 0.00 C ATOM 1121 O THR A 74 3.007 -4.027 -12.810 1.00 0.00 O ATOM 1122 CB THR A 74 5.279 -2.765 -10.842 1.00 0.00 C ATOM 1123 OG1 THR A 74 5.938 -3.989 -10.588 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.009 -2.928 -10.026 1.00 0.00 C ATOM 0 H THR A 74 3.491 -1.392 -12.463 1.00 0.00 H new ATOM 0 HA THR A 74 6.013 -2.953 -12.880 1.00 0.00 H new ATOM 0 HB THR A 74 5.750 -1.814 -10.594 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.144 -4.057 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.245 -2.847 -8.965 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.298 -2.149 -10.300 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.571 -3.906 -10.226 1.00 0.00 H new ATOM 1132 N THR A 75 4.861 -5.245 -12.708 1.00 0.00 N ATOM 1133 CA THR A 75 4.181 -6.579 -12.979 1.00 0.00 C ATOM 1134 C THR A 75 4.312 -7.588 -11.827 1.00 0.00 C ATOM 1135 O THR A 75 5.192 -7.453 -11.003 1.00 0.00 O ATOM 1136 CB THR A 75 4.793 -7.232 -14.232 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.680 -6.249 -15.240 1.00 0.00 O ATOM 1138 CG2 THR A 75 3.889 -8.282 -14.852 1.00 0.00 C ATOM 0 H THR A 75 5.870 -5.316 -12.579 1.00 0.00 H new ATOM 0 HA THR A 75 3.124 -6.347 -13.108 1.00 0.00 H new ATOM 0 HB THR A 75 5.771 -7.622 -13.951 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.054 -6.594 -16.077 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.374 -8.707 -15.731 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.698 -9.072 -14.126 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.945 -7.822 -15.145 1.00 0.00 H new ATOM 1146 N PHE A 76 3.463 -8.577 -11.784 1.00 0.00 N ATOM 1147 CA PHE A 76 3.530 -9.616 -10.677 1.00 0.00 C ATOM 1148 C PHE A 76 3.801 -11.107 -11.086 1.00 0.00 C ATOM 1149 O PHE A 76 2.964 -11.961 -10.875 1.00 0.00 O ATOM 1150 CB PHE A 76 2.195 -9.436 -9.913 1.00 0.00 C ATOM 1151 CG PHE A 76 2.265 -8.030 -9.317 1.00 0.00 C ATOM 1152 CD1 PHE A 76 2.937 -7.815 -8.135 1.00 0.00 C ATOM 1153 CD2 PHE A 76 1.684 -6.965 -9.967 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.033 -6.548 -7.606 1.00 0.00 C ATOM 1155 CE2 PHE A 76 1.777 -5.697 -9.444 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.451 -5.486 -8.262 1.00 0.00 C ATOM 0 H PHE A 76 2.717 -8.724 -12.464 1.00 0.00 H new ATOM 0 HA PHE A 76 4.420 -9.434 -10.075 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.341 -9.539 -10.582 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.082 -10.190 -9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.392 -8.647 -7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.152 -7.126 -10.893 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.563 -6.387 -6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.321 -4.866 -9.961 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.523 -4.490 -7.850 1.00 0.00 H new ATOM 1166 N PRO A 77 4.960 -11.390 -11.640 1.00 0.00 N ATOM 1167 CA PRO A 77 5.269 -12.653 -12.379 1.00 0.00 C ATOM 1168 C PRO A 77 5.945 -13.667 -11.446 1.00 0.00 C ATOM 1169 O PRO A 77 5.954 -13.440 -10.252 1.00 0.00 O ATOM 1170 CB PRO A 77 6.172 -12.217 -13.509 1.00 0.00 C ATOM 1171 CG PRO A 77 6.541 -10.711 -13.150 1.00 0.00 C ATOM 1172 CD PRO A 77 6.169 -10.550 -11.652 1.00 0.00 C ATOM 0 HA PRO A 77 4.380 -13.158 -12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.063 -12.842 -13.571 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.667 -12.285 -14.472 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.600 -10.514 -13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.985 -10.010 -13.772 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.946 -10.916 -10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.969 -9.515 -11.374 1.00 0.00 H new ATOM 1180 N ALA A 78 6.499 -14.734 -11.988 1.00 0.00 N ATOM 1181 CA ALA A 78 7.169 -15.785 -11.121 1.00 0.00 C ATOM 1182 C ALA A 78 5.945 -16.075 -10.220 1.00 0.00 C ATOM 1183 O ALA A 78 5.943 -15.975 -9.010 1.00 0.00 O ATOM 1184 CB ALA A 78 8.381 -15.114 -10.387 1.00 0.00 C ATOM 0 H ALA A 78 6.519 -14.928 -12.989 1.00 0.00 H new ATOM 0 HA ALA A 78 7.606 -16.673 -11.577 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.878 -15.851 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.087 -14.732 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.022 -14.292 -9.768 1.00 0.00 H new ATOM 1190 N ASP A 79 4.991 -16.455 -11.025 1.00 0.00 N ATOM 1191 CA ASP A 79 3.543 -16.844 -10.803 1.00 0.00 C ATOM 1192 C ASP A 79 3.249 -17.185 -9.308 1.00 0.00 C ATOM 1193 O ASP A 79 2.841 -18.233 -8.840 1.00 0.00 O ATOM 1194 CB ASP A 79 3.334 -17.979 -11.893 1.00 0.00 C ATOM 1195 CG ASP A 79 3.774 -17.591 -13.314 1.00 0.00 C ATOM 1196 OD1 ASP A 79 4.254 -16.491 -13.543 1.00 0.00 O ATOM 1197 OD2 ASP A 79 3.602 -18.475 -14.121 1.00 0.00 O ATOM 0 H ASP A 79 5.203 -16.523 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 79 2.804 -16.056 -10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.887 -18.866 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.279 -18.253 -11.916 1.00 0.00 H new ATOM 1202 N ALA A 80 3.532 -16.101 -8.634 1.00 0.00 N ATOM 1203 CA ALA A 80 3.426 -15.879 -7.170 1.00 0.00 C ATOM 1204 C ALA A 80 2.115 -16.415 -6.478 1.00 0.00 C ATOM 1205 O ALA A 80 1.029 -16.304 -7.014 1.00 0.00 O ATOM 1206 CB ALA A 80 3.657 -14.329 -7.064 1.00 0.00 C ATOM 0 H ALA A 80 3.873 -15.267 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 80 4.150 -16.466 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.604 -14.024 -6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.639 -14.079 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.888 -13.807 -7.634 1.00 0.00 H new ATOM 1212 N PRO A 81 2.250 -16.968 -5.292 1.00 0.00 N ATOM 1213 CA PRO A 81 1.168 -17.770 -4.615 1.00 0.00 C ATOM 1214 C PRO A 81 -0.122 -16.976 -4.225 1.00 0.00 C ATOM 1215 O PRO A 81 -0.376 -16.720 -3.065 1.00 0.00 O ATOM 1216 CB PRO A 81 1.927 -18.383 -3.422 1.00 0.00 C ATOM 1217 CG PRO A 81 2.921 -17.248 -3.077 1.00 0.00 C ATOM 1218 CD PRO A 81 3.477 -16.868 -4.449 1.00 0.00 C ATOM 0 HA PRO A 81 0.723 -18.511 -5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.264 -18.615 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.437 -19.308 -3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.425 -16.407 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.706 -17.587 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.903 -15.865 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.261 -17.550 -4.779 1.00 0.00 H new ATOM 1226 N ALA A 82 -0.873 -16.623 -5.231 1.00 0.00 N ATOM 1227 CA ALA A 82 -2.168 -15.853 -5.130 1.00 0.00 C ATOM 1228 C ALA A 82 -2.643 -15.282 -3.741 1.00 0.00 C ATOM 1229 O ALA A 82 -3.729 -15.522 -3.249 1.00 0.00 O ATOM 1230 CB ALA A 82 -3.235 -16.793 -5.761 1.00 0.00 C ATOM 0 H ALA A 82 -0.628 -16.852 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.005 -14.907 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.211 -16.309 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.968 -17.003 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.274 -17.727 -5.200 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.772 -14.513 -3.148 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.023 -13.856 -1.812 1.00 0.00 C ATOM 1238 C GLY A 83 -1.782 -12.350 -1.915 1.00 0.00 C ATOM 1239 O GLY A 83 -1.937 -11.788 -2.983 1.00 0.00 O ATOM 0 H GLY A 83 -0.857 -14.299 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.047 -14.047 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.366 -14.287 -1.057 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.420 -11.724 -0.831 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.157 -10.246 -0.841 1.00 0.00 C ATOM 1245 C GLU A 84 0.353 -9.866 -0.807 1.00 0.00 C ATOM 1246 O GLU A 84 1.167 -10.467 -0.130 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.881 -9.630 0.385 1.00 0.00 C ATOM 1248 CG GLU A 84 -1.217 -10.142 1.728 1.00 0.00 C ATOM 1249 CD GLU A 84 -1.666 -9.337 2.914 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -2.752 -9.583 3.395 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -0.907 -8.471 3.305 1.00 0.00 O ATOM 0 H GLU A 84 -1.292 -12.173 0.076 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.534 -9.850 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.830 -8.542 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.937 -9.901 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.472 -11.190 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.132 -10.087 1.641 1.00 0.00 H new ATOM 1258 N TYR A 85 0.675 -8.871 -1.584 1.00 0.00 N ATOM 1259 CA TYR A 85 2.094 -8.365 -1.663 1.00 0.00 C ATOM 1260 C TYR A 85 2.194 -6.875 -1.200 1.00 0.00 C ATOM 1261 O TYR A 85 2.899 -6.066 -1.770 1.00 0.00 O ATOM 1262 CB TYR A 85 2.507 -8.594 -3.143 1.00 0.00 C ATOM 1263 CG TYR A 85 2.370 -10.100 -3.438 1.00 0.00 C ATOM 1264 CD1 TYR A 85 3.368 -10.992 -3.097 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.225 -10.584 -4.033 1.00 0.00 C ATOM 1266 CE1 TYR A 85 3.215 -12.346 -3.354 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.082 -11.938 -4.286 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.073 -12.819 -3.946 1.00 0.00 C ATOM 1269 OH TYR A 85 1.923 -14.161 -4.200 1.00 0.00 O ATOM 0 H TYR A 85 0.014 -8.373 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 85 2.774 -8.888 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.872 -8.014 -3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.532 -8.263 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.272 -10.633 -2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.433 -9.902 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.003 -13.034 -3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.180 -12.302 -4.756 1.00 0.00 H new ATOM 0 HH TYR A 85 1.053 -14.319 -4.622 1.00 0.00 H new ATOM 1279 N THR A 86 1.450 -6.586 -0.165 1.00 0.00 N ATOM 1280 CA THR A 86 1.356 -5.213 0.486 1.00 0.00 C ATOM 1281 C THR A 86 2.468 -4.151 0.328 1.00 0.00 C ATOM 1282 O THR A 86 3.642 -4.393 0.556 1.00 0.00 O ATOM 1283 CB THR A 86 1.129 -5.398 1.996 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.162 -5.978 2.085 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.833 -4.072 2.685 1.00 0.00 C ATOM 0 H THR A 86 0.862 -7.282 0.293 1.00 0.00 H new ATOM 0 HA THR A 86 0.541 -4.782 -0.095 1.00 0.00 H new ATOM 0 HB THR A 86 1.989 -5.921 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.112 -6.811 2.598 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.678 -4.242 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.674 -3.393 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.065 -3.631 2.254 1.00 0.00 H new ATOM 1293 N PHE A 87 2.031 -2.978 -0.055 1.00 0.00 N ATOM 1294 CA PHE A 87 2.926 -1.809 -0.268 1.00 0.00 C ATOM 1295 C PHE A 87 2.700 -0.482 0.501 1.00 0.00 C ATOM 1296 O PHE A 87 1.606 0.028 0.569 1.00 0.00 O ATOM 1297 CB PHE A 87 2.913 -1.571 -1.747 1.00 0.00 C ATOM 1298 CG PHE A 87 1.578 -1.269 -2.353 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.083 -0.005 -2.303 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.872 -2.263 -2.970 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.120 0.289 -2.871 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.335 -1.987 -3.544 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.846 -0.704 -3.501 1.00 0.00 C ATOM 0 H PHE A 87 1.047 -2.780 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 87 3.881 -2.098 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.585 -0.742 -1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.322 -2.453 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.647 0.773 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.269 -3.267 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.506 1.297 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.892 -2.773 -4.033 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.801 -0.480 -3.954 1.00 0.00 H new ATOM 1313 N TYR A 88 3.723 0.076 1.078 1.00 0.00 N ATOM 1314 CA TYR A 88 3.583 1.354 1.834 1.00 0.00 C ATOM 1315 C TYR A 88 4.411 2.548 1.288 1.00 0.00 C ATOM 1316 O TYR A 88 5.520 2.388 0.815 1.00 0.00 O ATOM 1317 CB TYR A 88 3.932 1.008 3.328 1.00 0.00 C ATOM 1318 CG TYR A 88 5.282 0.319 3.507 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.487 -0.959 3.030 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.315 0.964 4.147 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.703 -1.579 3.190 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.531 0.333 4.304 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.730 -0.938 3.828 1.00 0.00 C ATOM 1324 OH TYR A 88 8.931 -1.592 3.984 1.00 0.00 O ATOM 0 H TYR A 88 4.669 -0.305 1.059 1.00 0.00 H new ATOM 0 HA TYR A 88 2.563 1.723 1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.924 1.927 3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.151 0.365 3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.684 -1.477 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.173 1.965 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.849 -2.579 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.337 0.846 4.808 1.00 0.00 H new ATOM 0 HH TYR A 88 8.765 -2.535 4.193 1.00 0.00 H new ATOM 1334 N CYS A 89 3.837 3.716 1.363 1.00 0.00 N ATOM 1335 CA CYS A 89 4.513 4.972 0.876 1.00 0.00 C ATOM 1336 C CYS A 89 5.047 5.885 2.013 1.00 0.00 C ATOM 1337 O CYS A 89 4.635 7.020 2.132 1.00 0.00 O ATOM 1338 CB CYS A 89 3.469 5.695 0.026 1.00 0.00 C ATOM 1339 SG CYS A 89 3.952 7.185 -0.878 1.00 0.00 S ATOM 0 H CYS A 89 2.905 3.865 1.749 1.00 0.00 H new ATOM 0 HA CYS A 89 5.408 4.713 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.084 4.980 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.639 5.962 0.681 1.00 0.00 H new ATOM 0 HG CYS A 89 3.343 8.216 -0.372 1.00 0.00 H new ATOM 1344 N GLU A 90 5.936 5.380 2.819 1.00 0.00 N ATOM 1345 CA GLU A 90 6.542 6.156 3.971 1.00 0.00 C ATOM 1346 C GLU A 90 6.325 7.704 4.114 1.00 0.00 C ATOM 1347 O GLU A 90 5.711 8.125 5.079 1.00 0.00 O ATOM 1348 CB GLU A 90 8.063 5.798 3.939 1.00 0.00 C ATOM 1349 CG GLU A 90 8.285 4.361 4.536 1.00 0.00 C ATOM 1350 CD GLU A 90 8.074 4.337 6.036 1.00 0.00 C ATOM 1351 OE1 GLU A 90 6.933 4.398 6.457 1.00 0.00 O ATOM 1352 OE2 GLU A 90 9.080 4.280 6.714 1.00 0.00 O ATOM 0 H GLU A 90 6.289 4.427 2.735 1.00 0.00 H new ATOM 0 HA GLU A 90 5.985 5.842 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.434 5.837 2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.631 6.531 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.599 3.660 4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.296 4.024 4.305 1.00 0.00 H new ATOM 1359 N PRO A 91 6.796 8.531 3.201 1.00 0.00 N ATOM 1360 CA PRO A 91 6.540 10.016 3.240 1.00 0.00 C ATOM 1361 C PRO A 91 5.070 10.405 3.552 1.00 0.00 C ATOM 1362 O PRO A 91 4.758 11.476 4.031 1.00 0.00 O ATOM 1363 CB PRO A 91 7.050 10.486 1.861 1.00 0.00 C ATOM 1364 CG PRO A 91 7.068 9.185 1.020 1.00 0.00 C ATOM 1365 CD PRO A 91 7.591 8.143 2.009 1.00 0.00 C ATOM 0 HA PRO A 91 7.053 10.510 4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.392 11.237 1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.042 10.933 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.075 8.929 0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.717 9.276 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.394 7.121 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.665 8.223 2.176 1.00 0.00 H new ATOM 1373 N HIS A 92 4.195 9.493 3.256 1.00 0.00 N ATOM 1374 CA HIS A 92 2.727 9.666 3.478 1.00 0.00 C ATOM 1375 C HIS A 92 2.145 8.713 4.560 1.00 0.00 C ATOM 1376 O HIS A 92 0.974 8.377 4.521 1.00 0.00 O ATOM 1377 CB HIS A 92 2.060 9.439 2.107 1.00 0.00 C ATOM 1378 CG HIS A 92 2.471 10.524 1.116 1.00 0.00 C ATOM 1379 ND1 HIS A 92 2.786 10.232 -0.136 1.00 0.00 N ATOM 1380 CD2 HIS A 92 2.562 11.889 1.326 1.00 0.00 C ATOM 1381 CE1 HIS A 92 3.060 11.406 -0.676 1.00 0.00 C ATOM 1382 NE2 HIS A 92 2.927 12.361 0.176 1.00 0.00 N ATOM 0 H HIS A 92 4.445 8.591 2.850 1.00 0.00 H new ATOM 0 HA HIS A 92 2.527 10.664 3.868 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.342 8.460 1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.976 9.437 2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.372 12.435 2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.358 11.547 -1.704 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.086 13.348 -0.025 1.00 0.00 H new ATOM 1390 N ARG A 93 2.917 8.281 5.524 1.00 0.00 N ATOM 1391 CA ARG A 93 2.328 7.360 6.570 1.00 0.00 C ATOM 1392 C ARG A 93 1.556 8.128 7.691 1.00 0.00 C ATOM 1393 O ARG A 93 1.640 7.855 8.870 1.00 0.00 O ATOM 1394 CB ARG A 93 3.482 6.512 7.189 1.00 0.00 C ATOM 1395 CG ARG A 93 4.519 7.380 7.945 1.00 0.00 C ATOM 1396 CD ARG A 93 5.282 6.455 8.882 1.00 0.00 C ATOM 1397 NE ARG A 93 6.510 7.231 9.294 1.00 0.00 N ATOM 1398 CZ ARG A 93 7.661 6.727 9.126 1.00 0.00 C ATOM 1399 NH1 ARG A 93 7.909 6.188 8.042 1.00 0.00 N ATOM 1400 NH2 ARG A 93 8.507 6.780 10.045 1.00 0.00 N ATOM 0 H ARG A 93 3.904 8.512 5.641 1.00 0.00 H new ATOM 0 HA ARG A 93 1.595 6.718 6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.060 5.777 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.986 5.958 6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.199 7.864 7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.022 8.172 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.677 6.186 9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.553 5.525 8.382 1.00 0.00 H new ATOM 0 HE ARG A 93 6.414 8.159 9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.197 6.158 7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.826 5.773 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.271 7.229 10.930 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.433 6.374 9.910 1.00 0.00 H new ATOM 1414 N GLY A 94 0.801 9.087 7.231 1.00 0.00 N ATOM 1415 CA GLY A 94 -0.060 9.983 8.104 1.00 0.00 C ATOM 1416 C GLY A 94 -1.492 9.720 7.665 1.00 0.00 C ATOM 1417 O GLY A 94 -2.365 9.377 8.429 1.00 0.00 O ATOM 0 H GLY A 94 0.734 9.307 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.076 9.750 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.205 11.032 7.972 1.00 0.00 H new ATOM 1421 N ALA A 95 -1.692 9.879 6.391 1.00 0.00 N ATOM 1422 CA ALA A 95 -3.038 9.652 5.777 1.00 0.00 C ATOM 1423 C ALA A 95 -2.915 8.200 5.228 1.00 0.00 C ATOM 1424 O ALA A 95 -3.044 7.930 4.053 1.00 0.00 O ATOM 1425 CB ALA A 95 -3.210 10.733 4.682 1.00 0.00 C ATOM 0 H ALA A 95 -0.968 10.162 5.730 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.908 9.735 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.180 10.612 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.151 11.723 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.420 10.627 3.938 1.00 0.00 H new ATOM 1431 N GLY A 96 -2.654 7.324 6.169 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.469 5.832 5.936 1.00 0.00 C ATOM 1433 C GLY A 96 -2.182 5.372 4.500 1.00 0.00 C ATOM 1434 O GLY A 96 -2.882 4.539 3.967 1.00 0.00 O ATOM 0 H GLY A 96 -2.554 7.589 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.650 5.491 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.370 5.323 6.279 1.00 0.00 H new ATOM 1438 N MET A 97 -1.154 5.897 3.890 1.00 0.00 N ATOM 1439 CA MET A 97 -0.843 5.477 2.480 1.00 0.00 C ATOM 1440 C MET A 97 -0.179 4.072 2.265 1.00 0.00 C ATOM 1441 O MET A 97 0.971 3.914 1.889 1.00 0.00 O ATOM 1442 CB MET A 97 0.016 6.643 1.897 1.00 0.00 C ATOM 1443 CG MET A 97 0.173 6.451 0.370 1.00 0.00 C ATOM 1444 SD MET A 97 0.588 7.917 -0.610 1.00 0.00 S ATOM 1445 CE MET A 97 -0.530 7.626 -2.001 1.00 0.00 C ATOM 0 H MET A 97 -0.521 6.588 4.293 1.00 0.00 H new ATOM 0 HA MET A 97 -1.785 5.317 1.955 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.460 7.601 2.107 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.995 6.662 2.375 1.00 0.00 H new ATOM 0 HG2 MET A 97 0.947 5.702 0.201 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.759 6.039 -0.016 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.040 7.262 -2.856 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.276 6.883 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.029 8.558 -2.268 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.979 3.086 2.567 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.605 1.631 2.435 1.00 0.00 C ATOM 1457 C VAL A 98 -1.588 0.879 1.481 1.00 0.00 C ATOM 1458 O VAL A 98 -2.785 1.015 1.654 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.650 1.000 3.850 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.221 -0.479 3.780 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.345 1.715 4.781 1.00 0.00 C ATOM 0 H VAL A 98 -1.926 3.230 2.918 1.00 0.00 H new ATOM 0 HA VAL A 98 0.393 1.547 2.005 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.668 1.094 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.255 -0.915 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.899 -1.024 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.795 -0.545 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.305 1.263 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.353 1.618 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.083 2.771 4.852 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.126 0.125 0.517 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.082 -0.614 -0.405 1.00 0.00 C ATOM 1473 C GLY A 99 -1.834 -2.123 -0.357 1.00 0.00 C ATOM 1474 O GLY A 99 -0.737 -2.573 -0.098 1.00 0.00 O ATOM 0 H GLY A 99 -0.136 -0.019 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.111 -0.402 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.959 -0.254 -1.426 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.842 -2.901 -0.620 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.687 -4.401 -0.583 1.00 0.00 C ATOM 1480 C LYS A 100 -2.946 -5.210 -1.880 1.00 0.00 C ATOM 1481 O LYS A 100 -3.853 -6.027 -1.934 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.609 -4.895 0.571 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.068 -4.341 1.917 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.607 -5.172 3.125 1.00 0.00 C ATOM 1485 CE LYS A 100 -3.165 -6.626 2.963 1.00 0.00 C ATOM 1486 NZ LYS A 100 -3.144 -7.277 4.298 1.00 0.00 N ATOM 0 H LYS A 100 -3.777 -2.572 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.624 -4.593 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.632 -4.556 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.634 -5.984 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.978 -4.366 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.363 -3.298 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.227 -4.765 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.694 -5.111 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.847 -7.155 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.176 -6.670 2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.284 -8.302 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.227 -7.100 4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.906 -6.886 4.887 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.162 -4.990 -2.906 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.404 -5.778 -4.171 1.00 0.00 C ATOM 1502 C ILE A 101 -2.454 -7.296 -3.821 1.00 0.00 C ATOM 1503 O ILE A 101 -1.527 -7.889 -3.298 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.254 -5.527 -5.258 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.944 -5.654 -6.647 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.120 -6.592 -5.233 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.918 -5.954 -7.791 1.00 0.00 C ATOM 0 H ILE A 101 -1.389 -4.325 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.350 -5.448 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.800 -4.558 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.688 -6.450 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.477 -4.730 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.620 -6.353 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.357 -6.592 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.542 -7.577 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.446 -6.034 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.189 -5.145 -7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.404 -6.892 -7.582 1.00 0.00 H new ATOM 1519 N THR A 102 -3.579 -7.870 -4.101 1.00 0.00 N ATOM 1520 CA THR A 102 -3.793 -9.342 -3.835 1.00 0.00 C ATOM 1521 C THR A 102 -3.855 -9.990 -5.211 1.00 0.00 C ATOM 1522 O THR A 102 -4.446 -9.412 -6.096 1.00 0.00 O ATOM 1523 CB THR A 102 -5.130 -9.579 -3.131 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.305 -8.558 -2.154 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.047 -10.764 -2.202 1.00 0.00 C ATOM 0 H THR A 102 -4.381 -7.390 -4.509 1.00 0.00 H new ATOM 0 HA THR A 102 -3.002 -9.744 -3.201 1.00 0.00 H new ATOM 0 HB THR A 102 -5.882 -9.659 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.544 -8.965 -1.295 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.010 -10.912 -1.714 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.789 -11.656 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.282 -10.582 -1.447 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.284 -11.136 -5.412 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.352 -11.763 -6.790 1.00 0.00 C ATOM 1535 C VAL A 103 -4.245 -13.024 -6.817 1.00 0.00 C ATOM 1536 O VAL A 103 -4.024 -13.923 -6.041 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.874 -12.072 -7.203 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.772 -12.240 -8.710 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.940 -10.929 -6.776 1.00 0.00 C ATOM 0 H VAL A 103 -2.777 -11.673 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.819 -11.083 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.575 -12.994 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.739 -12.454 -8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.410 -13.064 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.094 -11.322 -9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.082 -11.164 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.254 -10.003 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.985 -10.808 -5.694 1.00 0.00 H new ATOM 1549 N ALA A 104 -5.223 -13.072 -7.683 1.00 0.00 N ATOM 1550 CA ALA A 104 -6.128 -14.282 -7.751 1.00 0.00 C ATOM 1551 C ALA A 104 -6.335 -14.940 -9.156 1.00 0.00 C ATOM 1552 O ALA A 104 -5.761 -15.971 -9.454 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.463 -13.801 -7.118 1.00 0.00 C ATOM 0 H ALA A 104 -5.442 -12.332 -8.350 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.657 -15.108 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.184 -14.618 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.285 -13.483 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.858 -12.964 -7.694 1.00 0.00 H new ATOM 1559 N GLY A 105 -7.150 -14.310 -9.949 1.00 0.00 N ATOM 1560 CA GLY A 105 -7.512 -14.745 -11.352 1.00 0.00 C ATOM 1561 C GLY A 105 -7.609 -13.520 -12.264 1.00 0.00 C ATOM 1562 O GLY A 105 -7.905 -12.484 -11.698 1.00 0.00 O ATOM 1563 OXT GLY A 105 -7.393 -13.679 -13.454 1.00 0.00 O ATOM 0 H GLY A 105 -7.619 -13.448 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.760 -15.436 -11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.462 -15.280 -11.343 1.00 0.00 H new