USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc= -0.155 X(o=1.7,f=1.3) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -171:sc= 1.86 (180deg=1.76) USER MOD Set 2.1: A 83 HIS : no HD1:sc= 0.502 K(o=1.8,f=-7.3!) USER MOD Set 2.2: A 85 TYR OH : rot -39:sc= 1.32 USER MOD Set 3.1: A 16 GLN : amide:sc= 0.789 K(o=1.2,f=-0.44) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 168:sc= 0.423 (180deg=-0.434) USER MOD Single : A 3 SER OG : rot 122:sc= 1.67 USER MOD Single : A 9 SER OG : rot 19:sc= 0.79 USER MOD Single : A 10 LYS NZ :NH3+ 176:sc=-0.00137 (180deg=-0.043) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.276 (180deg=0.148) USER MOD Single : A 32 THR OG1 : rot 97:sc= 0.464 USER MOD Single : A 34 THR OG1 : rot -165:sc= 0.873 USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0.637 (180deg=0.63) USER MOD Single : A 41 MET CE :methyl -179:sc= 0 (180deg=-0.000657) USER MOD Single : A 48 THR OG1 : rot 69:sc= 0.97 USER MOD Single : A 50 SER OG : rot -57:sc= 1.47 USER MOD Single : A 51 ASN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= -0.189 (180deg=-0.2) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 79 MET CE :methyl -155:sc= 0 (180deg=-0.311) USER MOD Single : A 81 THR OG1 : rot -19:sc= 0.594 USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 0.554 (180deg=0.355) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 1.09 K(o=1.1,f=-0.48) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.328 K(o=0.33,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 0.637 -8.924 5.221 1.00 0.00 N ATOM 18 CA SER A 3 0.404 -8.421 3.882 1.00 0.00 C ATOM 19 C SER A 3 0.161 -6.910 3.860 1.00 0.00 C ATOM 20 O SER A 3 0.373 -6.279 2.825 1.00 0.00 O ATOM 21 CB SER A 3 -0.754 -9.194 3.247 1.00 0.00 C ATOM 22 OG SER A 3 -2.029 -8.724 3.646 1.00 0.00 O ATOM 0 HA SER A 3 1.306 -8.582 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.674 -9.128 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.665 -10.248 3.510 1.00 0.00 H new ATOM 0 HG SER A 3 -2.538 -8.448 2.855 1.00 0.00 H new ATOM 28 N VAL A 4 -0.302 -6.324 4.970 1.00 0.00 N ATOM 29 CA VAL A 4 -0.598 -4.909 5.042 1.00 0.00 C ATOM 30 C VAL A 4 0.561 -4.198 5.716 1.00 0.00 C ATOM 31 O VAL A 4 1.008 -4.585 6.798 1.00 0.00 O ATOM 32 CB VAL A 4 -1.956 -4.688 5.718 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.994 -5.740 5.288 1.00 0.00 C ATOM 34 CG2 VAL A 4 -1.942 -4.595 7.240 1.00 0.00 C ATOM 0 H VAL A 4 -0.479 -6.828 5.839 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.696 -4.474 4.047 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.241 -3.699 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.941 -5.544 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.139 -5.688 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.638 -6.734 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.957 -4.439 7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.545 -5.520 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.313 -3.759 7.548 1.00 0.00 H new ATOM 44 N ILE A 5 1.046 -3.155 5.054 1.00 0.00 N ATOM 45 CA ILE A 5 2.251 -2.450 5.412 1.00 0.00 C ATOM 46 C ILE A 5 2.113 -0.960 5.114 1.00 0.00 C ATOM 47 O ILE A 5 1.526 -0.551 4.112 1.00 0.00 O ATOM 48 CB ILE A 5 3.390 -3.060 4.576 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.764 -4.490 5.004 1.00 0.00 C ATOM 50 CG2 ILE A 5 4.643 -2.189 4.604 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.334 -4.642 6.419 1.00 0.00 C ATOM 0 H ILE A 5 0.589 -2.771 4.227 1.00 0.00 H new ATOM 0 HA ILE A 5 2.452 -2.548 6.479 1.00 0.00 H new ATOM 0 HB ILE A 5 2.998 -3.106 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.875 -5.116 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.495 -4.880 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.423 -2.655 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.411 -1.204 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.991 -2.085 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.560 -5.691 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.246 -4.052 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.601 -4.291 7.146 1.00 0.00 H new ATOM 63 N VAL A 6 2.711 -0.169 6.002 1.00 0.00 N ATOM 64 CA VAL A 6 2.898 1.258 5.885 1.00 0.00 C ATOM 65 C VAL A 6 4.402 1.412 6.067 1.00 0.00 C ATOM 66 O VAL A 6 4.932 0.918 7.061 1.00 0.00 O ATOM 67 CB VAL A 6 2.040 2.031 6.910 1.00 0.00 C ATOM 68 CG1 VAL A 6 0.548 1.784 6.647 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.336 1.679 8.374 1.00 0.00 C ATOM 0 H VAL A 6 3.098 -0.538 6.871 1.00 0.00 H new ATOM 0 HA VAL A 6 2.566 1.682 4.937 1.00 0.00 H new ATOM 0 HB VAL A 6 2.303 3.080 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.046 2.335 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.295 2.123 5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.335 0.719 6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.690 2.266 9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.149 0.618 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.379 1.903 8.598 1.00 0.00 H new ATOM 79 N ILE A 7 5.114 1.975 5.087 1.00 0.00 N ATOM 80 CA ILE A 7 6.562 2.021 5.164 1.00 0.00 C ATOM 81 C ILE A 7 7.128 3.219 4.407 1.00 0.00 C ATOM 82 O ILE A 7 6.495 3.812 3.530 1.00 0.00 O ATOM 83 CB ILE A 7 7.125 0.677 4.638 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.463 0.310 5.306 1.00 0.00 C ATOM 85 CG2 ILE A 7 7.264 0.685 3.107 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.220 -0.414 6.637 1.00 0.00 C ATOM 0 H ILE A 7 4.713 2.396 4.249 1.00 0.00 H new ATOM 0 HA ILE A 7 6.870 2.154 6.201 1.00 0.00 H new ATOM 0 HB ILE A 7 6.402 -0.093 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.046 -0.327 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.050 1.212 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.662 -0.273 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.287 0.850 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.943 1.484 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.177 -0.665 7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.657 0.236 7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.653 -1.327 6.456 1.00 0.00 H new ATOM 98 N ASP A 8 8.363 3.548 4.771 1.00 0.00 N ATOM 99 CA ASP A 8 9.182 4.605 4.220 1.00 0.00 C ATOM 100 C ASP A 8 10.585 4.048 3.958 1.00 0.00 C ATOM 101 O ASP A 8 11.587 4.733 4.143 1.00 0.00 O ATOM 102 CB ASP A 8 9.204 5.766 5.229 1.00 0.00 C ATOM 103 CG ASP A 8 9.900 5.411 6.547 1.00 0.00 C ATOM 104 OD1 ASP A 8 9.905 4.209 6.899 1.00 0.00 O ATOM 105 OD2 ASP A 8 10.404 6.358 7.188 1.00 0.00 O ATOM 0 H ASP A 8 8.846 3.042 5.513 1.00 0.00 H new ATOM 0 HA ASP A 8 8.785 4.976 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.709 6.620 4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.180 6.075 5.439 1.00 0.00 H new ATOM 110 N SER A 9 10.667 2.778 3.553 1.00 0.00 N ATOM 111 CA SER A 9 11.905 2.082 3.241 1.00 0.00 C ATOM 112 C SER A 9 11.572 0.896 2.340 1.00 0.00 C ATOM 113 O SER A 9 10.632 0.155 2.617 1.00 0.00 O ATOM 114 CB SER A 9 12.585 1.605 4.527 1.00 0.00 C ATOM 115 OG SER A 9 13.158 2.698 5.216 1.00 0.00 O ATOM 0 H SER A 9 9.842 2.191 3.431 1.00 0.00 H new ATOM 0 HA SER A 9 12.594 2.754 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.858 1.105 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.356 0.873 4.288 1.00 0.00 H new ATOM 0 HG SER A 9 12.753 3.533 4.900 1.00 0.00 H new ATOM 121 N LYS A 10 12.353 0.718 1.271 1.00 0.00 N ATOM 122 CA LYS A 10 12.184 -0.353 0.296 1.00 0.00 C ATOM 123 C LYS A 10 12.096 -1.734 0.953 1.00 0.00 C ATOM 124 O LYS A 10 11.333 -2.587 0.509 1.00 0.00 O ATOM 125 CB LYS A 10 13.344 -0.301 -0.706 1.00 0.00 C ATOM 126 CG LYS A 10 14.758 -0.353 -0.101 1.00 0.00 C ATOM 127 CD LYS A 10 15.842 -0.400 -1.190 1.00 0.00 C ATOM 128 CE LYS A 10 15.867 0.824 -2.117 1.00 0.00 C ATOM 129 NZ LYS A 10 16.024 2.083 -1.370 1.00 0.00 N ATOM 0 H LYS A 10 13.139 1.332 1.058 1.00 0.00 H new ATOM 0 HA LYS A 10 11.237 -0.198 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.236 -1.134 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.253 0.615 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.915 0.521 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.848 -1.230 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.816 -0.497 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.693 -1.295 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.685 0.722 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.944 0.859 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.104 2.876 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.196 2.229 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.883 2.035 -0.786 1.00 0.00 H new ATOM 143 N ALA A 11 12.881 -1.921 2.014 1.00 0.00 N ATOM 144 CA ALA A 11 13.001 -3.147 2.799 1.00 0.00 C ATOM 145 C ALA A 11 11.677 -3.917 2.895 1.00 0.00 C ATOM 146 O ALA A 11 11.561 -5.048 2.426 1.00 0.00 O ATOM 147 CB ALA A 11 13.518 -2.787 4.196 1.00 0.00 C ATOM 0 H ALA A 11 13.484 -1.178 2.368 1.00 0.00 H new ATOM 0 HA ALA A 11 13.704 -3.809 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.613 -3.694 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.492 -2.305 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.818 -2.106 4.679 1.00 0.00 H new ATOM 153 N ALA A 12 10.661 -3.295 3.499 1.00 0.00 N ATOM 154 CA ALA A 12 9.376 -3.951 3.693 1.00 0.00 C ATOM 155 C ALA A 12 8.675 -4.207 2.360 1.00 0.00 C ATOM 156 O ALA A 12 7.965 -5.201 2.230 1.00 0.00 O ATOM 157 CB ALA A 12 8.488 -3.101 4.597 1.00 0.00 C ATOM 0 H ALA A 12 10.708 -2.342 3.859 1.00 0.00 H new ATOM 0 HA ALA A 12 9.558 -4.915 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.529 -3.599 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.973 -2.970 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.327 -2.126 4.136 1.00 0.00 H new ATOM 163 N TRP A 13 8.845 -3.311 1.386 1.00 0.00 N ATOM 164 CA TRP A 13 8.239 -3.442 0.071 1.00 0.00 C ATOM 165 C TRP A 13 8.741 -4.738 -0.571 1.00 0.00 C ATOM 166 O TRP A 13 7.933 -5.572 -0.978 1.00 0.00 O ATOM 167 CB TRP A 13 8.507 -2.159 -0.758 1.00 0.00 C ATOM 168 CG TRP A 13 8.997 -2.269 -2.180 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.242 -2.638 -2.564 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.321 -1.874 -3.414 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.355 -2.602 -3.934 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.205 -2.113 -4.509 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.070 -1.298 -3.724 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.858 -1.832 -5.837 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.745 -0.941 -5.046 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.621 -1.230 -6.104 1.00 0.00 C ATOM 0 H TRP A 13 9.412 -2.470 1.494 1.00 0.00 H new ATOM 0 HA TRP A 13 7.154 -3.526 0.129 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.580 -1.586 -0.778 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.237 -1.565 -0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.036 -2.921 -1.888 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.181 -2.898 -4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.352 -1.129 -2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.534 -2.076 -6.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.811 -0.439 -5.249 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.343 -0.989 -7.119 1.00 0.00 H new ATOM 187 N ASP A 14 10.064 -4.941 -0.609 1.00 0.00 N ATOM 188 CA ASP A 14 10.644 -6.129 -1.230 1.00 0.00 C ATOM 189 C ASP A 14 10.290 -7.372 -0.425 1.00 0.00 C ATOM 190 O ASP A 14 9.837 -8.380 -0.972 1.00 0.00 O ATOM 191 CB ASP A 14 12.158 -5.978 -1.418 1.00 0.00 C ATOM 192 CG ASP A 14 13.014 -5.832 -0.167 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.243 -6.863 0.501 1.00 0.00 O ATOM 194 OD2 ASP A 14 13.471 -4.692 0.061 1.00 0.00 O ATOM 0 H ASP A 14 10.749 -4.296 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 14 10.215 -6.243 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.516 -6.847 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.333 -5.106 -2.048 1.00 0.00 H new ATOM 199 N ALA A 15 10.479 -7.271 0.886 1.00 0.00 N ATOM 200 CA ALA A 15 10.194 -8.357 1.812 1.00 0.00 C ATOM 201 C ALA A 15 8.773 -8.883 1.608 1.00 0.00 C ATOM 202 O ALA A 15 8.564 -10.091 1.474 1.00 0.00 O ATOM 203 CB ALA A 15 10.411 -7.885 3.251 1.00 0.00 C ATOM 0 H ALA A 15 10.836 -6.429 1.337 1.00 0.00 H new ATOM 0 HA ALA A 15 10.880 -9.181 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.196 -8.703 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.446 -7.567 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.746 -7.048 3.464 1.00 0.00 H new ATOM 209 N GLN A 16 7.790 -7.980 1.596 1.00 0.00 N ATOM 210 CA GLN A 16 6.404 -8.370 1.391 1.00 0.00 C ATOM 211 C GLN A 16 6.181 -8.853 -0.029 1.00 0.00 C ATOM 212 O GLN A 16 5.514 -9.864 -0.194 1.00 0.00 O ATOM 213 CB GLN A 16 5.428 -7.243 1.707 1.00 0.00 C ATOM 214 CG GLN A 16 4.775 -7.492 3.064 1.00 0.00 C ATOM 215 CD GLN A 16 5.753 -7.419 4.245 1.00 0.00 C ATOM 216 OE1 GLN A 16 5.758 -8.287 5.112 1.00 0.00 O ATOM 217 NE2 GLN A 16 6.615 -6.406 4.292 1.00 0.00 N ATOM 0 H GLN A 16 7.933 -6.978 1.726 1.00 0.00 H new ATOM 0 HA GLN A 16 6.208 -9.186 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.952 -6.287 1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.665 -7.182 0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.982 -6.759 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.303 -8.475 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.601 -5.690 3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.290 -6.345 5.055 1.00 0.00 H new ATOM 226 N LEU A 17 6.681 -8.138 -1.041 1.00 0.00 N ATOM 227 CA LEU A 17 6.579 -8.582 -2.432 1.00 0.00 C ATOM 228 C LEU A 17 6.902 -10.077 -2.515 1.00 0.00 C ATOM 229 O LEU A 17 6.103 -10.860 -3.027 1.00 0.00 O ATOM 230 CB LEU A 17 7.541 -7.774 -3.323 1.00 0.00 C ATOM 231 CG LEU A 17 6.867 -6.599 -4.045 1.00 0.00 C ATOM 232 CD1 LEU A 17 7.910 -5.562 -4.481 1.00 0.00 C ATOM 233 CD2 LEU A 17 6.135 -7.114 -5.289 1.00 0.00 C ATOM 0 H LEU A 17 7.162 -7.246 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 17 5.563 -8.416 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.358 -7.393 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.983 -8.440 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 17 6.162 -6.131 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.412 -4.737 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.435 -5.183 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.626 -6.028 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.657 -6.279 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.849 -7.590 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.378 -7.839 -4.991 1.00 0.00 H new ATOM 245 N ALA A 18 8.051 -10.459 -1.952 1.00 0.00 N ATOM 246 CA ALA A 18 8.513 -11.835 -1.942 1.00 0.00 C ATOM 247 C ALA A 18 7.546 -12.766 -1.195 1.00 0.00 C ATOM 248 O ALA A 18 6.887 -13.592 -1.826 1.00 0.00 O ATOM 249 CB ALA A 18 9.917 -11.877 -1.333 1.00 0.00 C ATOM 0 H ALA A 18 8.687 -9.810 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 18 8.549 -12.203 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.277 -12.906 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.592 -11.265 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.883 -11.491 -0.314 1.00 0.00 H new ATOM 255 N LYS A 19 7.441 -12.657 0.140 1.00 0.00 N ATOM 256 CA LYS A 19 6.618 -13.599 0.910 1.00 0.00 C ATOM 257 C LYS A 19 5.149 -13.570 0.474 1.00 0.00 C ATOM 258 O LYS A 19 4.434 -14.560 0.606 1.00 0.00 O ATOM 259 CB LYS A 19 6.752 -13.339 2.421 1.00 0.00 C ATOM 260 CG LYS A 19 6.075 -12.049 2.894 1.00 0.00 C ATOM 261 CD LYS A 19 6.091 -11.886 4.422 1.00 0.00 C ATOM 262 CE LYS A 19 7.476 -11.556 4.990 1.00 0.00 C ATOM 263 NZ LYS A 19 7.958 -10.252 4.507 1.00 0.00 N ATOM 0 H LYS A 19 7.906 -11.941 0.698 1.00 0.00 H new ATOM 0 HA LYS A 19 6.994 -14.601 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.324 -14.182 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.810 -13.298 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.575 -11.195 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.043 -12.038 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.395 -11.095 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.729 -12.806 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.432 -11.549 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.183 -12.335 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.792 -9.964 5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.216 -10.328 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.207 -9.541 4.619 1.00 0.00 H new ATOM 277 N GLY A 20 4.702 -12.419 -0.026 1.00 0.00 N ATOM 278 CA GLY A 20 3.356 -12.172 -0.494 1.00 0.00 C ATOM 279 C GLY A 20 3.014 -13.023 -1.719 1.00 0.00 C ATOM 280 O GLY A 20 1.837 -13.270 -1.955 1.00 0.00 O ATOM 0 H GLY A 20 5.304 -11.600 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.648 -12.387 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.246 -11.116 -0.743 1.00 0.00 H new ATOM 284 N LYS A 21 4.015 -13.466 -2.493 1.00 0.00 N ATOM 285 CA LYS A 21 3.836 -14.270 -3.701 1.00 0.00 C ATOM 286 C LYS A 21 3.006 -13.504 -4.737 1.00 0.00 C ATOM 287 O LYS A 21 1.904 -13.906 -5.121 1.00 0.00 O ATOM 288 CB LYS A 21 3.240 -15.648 -3.370 1.00 0.00 C ATOM 289 CG LYS A 21 4.187 -16.442 -2.460 1.00 0.00 C ATOM 290 CD LYS A 21 3.705 -17.878 -2.225 1.00 0.00 C ATOM 291 CE LYS A 21 2.409 -17.918 -1.406 1.00 0.00 C ATOM 292 NZ LYS A 21 2.044 -19.300 -1.050 1.00 0.00 N ATOM 0 H LYS A 21 4.994 -13.268 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 21 4.814 -14.456 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.274 -15.524 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.061 -16.203 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.181 -16.464 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.279 -15.931 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.543 -18.369 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.480 -18.441 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.531 -17.327 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.601 -17.462 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.164 -19.295 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.905 -19.857 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.806 -19.726 -0.484 1.00 0.00 H new ATOM 306 N GLU A 22 3.610 -12.426 -5.249 1.00 0.00 N ATOM 307 CA GLU A 22 3.081 -11.530 -6.272 1.00 0.00 C ATOM 308 C GLU A 22 2.481 -12.267 -7.480 1.00 0.00 C ATOM 309 O GLU A 22 1.655 -11.696 -8.192 1.00 0.00 O ATOM 310 CB GLU A 22 4.197 -10.565 -6.712 1.00 0.00 C ATOM 311 CG GLU A 22 5.503 -11.240 -7.168 1.00 0.00 C ATOM 312 CD GLU A 22 6.494 -11.473 -6.031 1.00 0.00 C ATOM 313 OE1 GLU A 22 6.405 -12.560 -5.421 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.315 -10.559 -5.794 1.00 0.00 O ATOM 0 H GLU A 22 4.539 -12.142 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 22 2.253 -10.975 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.821 -9.948 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.423 -9.894 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.265 -12.196 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.976 -10.622 -7.931 1.00 0.00 H new ATOM 321 N GLU A 23 2.898 -13.522 -7.695 1.00 0.00 N ATOM 322 CA GLU A 23 2.425 -14.447 -8.716 1.00 0.00 C ATOM 323 C GLU A 23 0.931 -14.239 -8.980 1.00 0.00 C ATOM 324 O GLU A 23 0.530 -14.013 -10.119 1.00 0.00 O ATOM 325 CB GLU A 23 2.691 -15.884 -8.243 1.00 0.00 C ATOM 326 CG GLU A 23 4.189 -16.190 -8.104 1.00 0.00 C ATOM 327 CD GLU A 23 4.408 -17.593 -7.547 1.00 0.00 C ATOM 328 OE1 GLU A 23 4.432 -17.709 -6.302 1.00 0.00 O ATOM 329 OE2 GLU A 23 4.533 -18.522 -8.373 1.00 0.00 O ATOM 0 H GLU A 23 3.626 -13.940 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 23 2.958 -14.263 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.200 -16.044 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.245 -16.584 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.674 -16.100 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.655 -15.456 -7.446 1.00 0.00 H new ATOM 336 N HIS A 24 0.116 -14.309 -7.917 1.00 0.00 N ATOM 337 CA HIS A 24 -1.323 -14.061 -8.010 1.00 0.00 C ATOM 338 C HIS A 24 -1.845 -13.085 -6.964 1.00 0.00 C ATOM 339 O HIS A 24 -2.955 -12.572 -7.071 1.00 0.00 O ATOM 340 CB HIS A 24 -2.091 -15.391 -7.969 1.00 0.00 C ATOM 341 CG HIS A 24 -3.591 -15.213 -7.941 1.00 0.00 C ATOM 342 ND1 HIS A 24 -4.310 -14.889 -9.091 1.00 0.00 N ATOM 343 CD2 HIS A 24 -4.443 -15.199 -6.867 1.00 0.00 C ATOM 344 CE1 HIS A 24 -5.560 -14.673 -8.661 1.00 0.00 C ATOM 345 NE2 HIS A 24 -5.689 -14.842 -7.336 1.00 0.00 N ATOM 0 H HIS A 24 0.437 -14.538 -6.976 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.497 -13.574 -8.970 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.819 -15.987 -8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.782 -15.954 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.186 -15.426 -5.843 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.376 -14.393 -9.311 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.540 -14.729 -6.785 1.00 0.00 H new ATOM 353 N LYS A 25 -1.044 -12.793 -5.957 1.00 0.00 N ATOM 354 CA LYS A 25 -1.460 -11.887 -4.897 1.00 0.00 C ATOM 355 C LYS A 25 -1.297 -10.455 -5.404 1.00 0.00 C ATOM 356 O LYS A 25 -0.167 -10.056 -5.681 1.00 0.00 O ATOM 357 CB LYS A 25 -0.632 -12.137 -3.630 1.00 0.00 C ATOM 358 CG LYS A 25 -1.325 -13.095 -2.653 1.00 0.00 C ATOM 359 CD LYS A 25 -1.686 -14.468 -3.238 1.00 0.00 C ATOM 360 CE LYS A 25 -2.815 -15.114 -2.425 1.00 0.00 C ATOM 361 NZ LYS A 25 -4.107 -14.433 -2.652 1.00 0.00 N ATOM 0 H LYS A 25 -0.102 -13.168 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.504 -12.057 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.338 -12.548 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.444 -11.187 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.675 -13.244 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.236 -12.621 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.995 -14.358 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.809 -15.115 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.905 -16.166 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.566 -15.079 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.879 -15.017 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.102 -13.510 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.251 -14.293 -3.672 1.00 0.00 H new ATOM 375 N PRO A 26 -2.377 -9.672 -5.565 1.00 0.00 N ATOM 376 CA PRO A 26 -2.247 -8.301 -6.018 1.00 0.00 C ATOM 377 C PRO A 26 -1.457 -7.491 -4.991 1.00 0.00 C ATOM 378 O PRO A 26 -1.754 -7.513 -3.794 1.00 0.00 O ATOM 379 CB PRO A 26 -3.667 -7.768 -6.215 1.00 0.00 C ATOM 380 CG PRO A 26 -4.468 -8.629 -5.249 1.00 0.00 C ATOM 381 CD PRO A 26 -3.779 -9.989 -5.326 1.00 0.00 C ATOM 0 HA PRO A 26 -1.697 -8.227 -6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.741 -6.708 -5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.007 -7.885 -7.244 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.445 -8.224 -4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.516 -8.693 -5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.907 -10.552 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.191 -10.598 -6.130 1.00 0.00 H new ATOM 389 N ILE A 27 -0.436 -6.793 -5.485 1.00 0.00 N ATOM 390 CA ILE A 27 0.446 -5.960 -4.697 1.00 0.00 C ATOM 391 C ILE A 27 0.006 -4.527 -4.942 1.00 0.00 C ATOM 392 O ILE A 27 0.499 -3.883 -5.870 1.00 0.00 O ATOM 393 CB ILE A 27 1.904 -6.153 -5.143 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.311 -7.621 -5.295 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.836 -5.402 -4.183 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.360 -8.407 -3.994 1.00 0.00 C ATOM 0 H ILE A 27 -0.199 -6.797 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 27 0.394 -6.217 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 27 1.996 -5.732 -6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.610 -8.109 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.293 -7.664 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.870 -5.539 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.590 -4.340 -4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.710 -5.793 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.657 -9.435 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.083 -7.949 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.375 -8.401 -3.528 1.00 0.00 H new ATOM 408 N VAL A 28 -0.950 -4.051 -4.150 1.00 0.00 N ATOM 409 CA VAL A 28 -1.447 -2.692 -4.306 1.00 0.00 C ATOM 410 C VAL A 28 -0.490 -1.770 -3.551 1.00 0.00 C ATOM 411 O VAL A 28 -0.309 -1.908 -2.340 1.00 0.00 O ATOM 412 CB VAL A 28 -2.923 -2.546 -3.884 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.226 -2.815 -2.410 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.437 -1.176 -4.341 1.00 0.00 C ATOM 0 H VAL A 28 -1.392 -4.583 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.460 -2.408 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.467 -3.345 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.293 -2.683 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.939 -3.836 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.663 -2.118 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.481 -1.062 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.842 -0.390 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.355 -1.100 -5.425 1.00 0.00 H new ATOM 424 N VAL A 29 0.158 -0.851 -4.269 1.00 0.00 N ATOM 425 CA VAL A 29 1.126 0.072 -3.697 1.00 0.00 C ATOM 426 C VAL A 29 0.533 1.469 -3.661 1.00 0.00 C ATOM 427 O VAL A 29 0.269 2.028 -4.724 1.00 0.00 O ATOM 428 CB VAL A 29 2.430 0.118 -4.507 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.537 0.707 -3.621 1.00 0.00 C ATOM 430 CG2 VAL A 29 2.813 -1.258 -5.041 1.00 0.00 C ATOM 0 H VAL A 29 0.021 -0.730 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 29 1.358 -0.282 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 29 2.287 0.754 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.470 0.746 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.258 1.714 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.670 0.080 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.741 -1.183 -5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.952 -1.946 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.020 -1.630 -5.690 1.00 0.00 H new ATOM 440 N ASP A 30 0.347 2.027 -2.462 1.00 0.00 N ATOM 441 CA ASP A 30 -0.094 3.405 -2.310 1.00 0.00 C ATOM 442 C ASP A 30 1.174 4.243 -2.194 1.00 0.00 C ATOM 443 O ASP A 30 1.704 4.426 -1.096 1.00 0.00 O ATOM 444 CB ASP A 30 -1.007 3.572 -1.088 1.00 0.00 C ATOM 445 CG ASP A 30 -1.431 5.022 -0.850 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.151 5.873 -1.722 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.032 5.260 0.221 1.00 0.00 O ATOM 0 H ASP A 30 0.498 1.537 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.693 3.725 -3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.897 2.956 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.491 3.201 -0.203 1.00 0.00 H new ATOM 452 N PHE A 31 1.694 4.691 -3.335 1.00 0.00 N ATOM 453 CA PHE A 31 2.856 5.558 -3.375 1.00 0.00 C ATOM 454 C PHE A 31 2.363 6.968 -3.065 1.00 0.00 C ATOM 455 O PHE A 31 1.907 7.660 -3.973 1.00 0.00 O ATOM 456 CB PHE A 31 3.511 5.513 -4.756 1.00 0.00 C ATOM 457 CG PHE A 31 4.298 4.260 -5.072 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.606 4.127 -4.572 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.840 3.378 -6.068 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.493 3.204 -5.148 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.730 2.451 -6.641 1.00 0.00 C ATOM 462 CZ PHE A 31 6.069 2.405 -6.224 1.00 0.00 C ATOM 0 H PHE A 31 1.317 4.460 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 31 3.605 5.238 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.733 5.630 -5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.177 6.371 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.929 4.737 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.810 3.412 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.498 3.108 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.381 1.772 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.772 1.758 -6.728 1.00 0.00 H new ATOM 472 N THR A 32 2.437 7.367 -1.795 1.00 0.00 N ATOM 473 CA THR A 32 2.012 8.674 -1.297 1.00 0.00 C ATOM 474 C THR A 32 3.244 9.412 -0.765 1.00 0.00 C ATOM 475 O THR A 32 4.357 8.910 -0.906 1.00 0.00 O ATOM 476 CB THR A 32 0.920 8.476 -0.233 1.00 0.00 C ATOM 477 OG1 THR A 32 0.461 9.735 0.213 1.00 0.00 O ATOM 478 CG2 THR A 32 1.413 7.678 0.979 1.00 0.00 C ATOM 0 H THR A 32 2.808 6.767 -1.059 1.00 0.00 H new ATOM 0 HA THR A 32 1.577 9.286 -2.087 1.00 0.00 H new ATOM 0 HB THR A 32 0.117 7.909 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.353 9.979 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.601 7.569 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.745 6.692 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.244 8.205 1.448 1.00 0.00 H new ATOM 486 N ALA A 33 3.067 10.585 -0.152 1.00 0.00 N ATOM 487 CA ALA A 33 4.169 11.389 0.369 1.00 0.00 C ATOM 488 C ALA A 33 3.824 11.966 1.740 1.00 0.00 C ATOM 489 O ALA A 33 2.702 12.422 1.949 1.00 0.00 O ATOM 490 CB ALA A 33 4.484 12.532 -0.600 1.00 0.00 C ATOM 0 H ALA A 33 2.149 11.004 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 33 5.041 10.743 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.307 13.128 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.767 12.120 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.603 13.163 -0.717 1.00 0.00 H new ATOM 496 N THR A 34 4.791 11.974 2.662 1.00 0.00 N ATOM 497 CA THR A 34 4.696 12.598 3.979 1.00 0.00 C ATOM 498 C THR A 34 4.004 13.958 3.870 1.00 0.00 C ATOM 499 O THR A 34 2.953 14.203 4.460 1.00 0.00 O ATOM 500 CB THR A 34 6.127 12.803 4.514 1.00 0.00 C ATOM 501 OG1 THR A 34 6.953 13.161 3.417 1.00 0.00 O ATOM 502 CG2 THR A 34 6.656 11.534 5.184 1.00 0.00 C ATOM 0 H THR A 34 5.695 11.528 2.503 1.00 0.00 H new ATOM 0 HA THR A 34 4.117 11.962 4.649 1.00 0.00 H new ATOM 0 HB THR A 34 6.127 13.589 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.894 13.059 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.667 11.711 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.009 11.267 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.670 10.719 4.460 1.00 0.00 H new ATOM 510 N TRP A 35 4.609 14.828 3.065 1.00 0.00 N ATOM 511 CA TRP A 35 4.178 16.199 2.841 1.00 0.00 C ATOM 512 C TRP A 35 2.901 16.321 1.993 1.00 0.00 C ATOM 513 O TRP A 35 2.516 17.439 1.662 1.00 0.00 O ATOM 514 CB TRP A 35 5.355 16.977 2.232 1.00 0.00 C ATOM 515 CG TRP A 35 6.112 16.304 1.124 1.00 0.00 C ATOM 516 CD1 TRP A 35 7.294 15.663 1.266 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.784 16.207 -0.295 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.723 15.181 0.051 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.823 15.479 -0.951 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.723 16.673 -1.101 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.800 15.211 -2.327 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.706 16.436 -2.488 1.00 0.00 C ATOM 523 CH2 TRP A 35 5.730 15.689 -3.098 1.00 0.00 C ATOM 0 H TRP A 35 5.444 14.585 2.532 1.00 0.00 H new ATOM 0 HA TRP A 35 3.897 16.631 3.802 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.975 17.927 1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.058 17.209 3.032 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.825 15.546 2.199 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.594 14.669 -0.091 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.911 17.220 -0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.596 14.644 -2.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.900 16.831 -3.089 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.692 15.484 -4.158 1.00 0.00 H new ATOM 534 N CYS A 36 2.198 15.228 1.662 1.00 0.00 N ATOM 535 CA CYS A 36 0.947 15.342 0.906 1.00 0.00 C ATOM 536 C CYS A 36 -0.203 15.863 1.783 1.00 0.00 C ATOM 537 O CYS A 36 -1.290 16.134 1.270 1.00 0.00 O ATOM 538 CB CYS A 36 0.554 14.008 0.273 1.00 0.00 C ATOM 539 SG CYS A 36 -0.430 12.908 1.307 1.00 0.00 S ATOM 0 H CYS A 36 2.469 14.274 1.901 1.00 0.00 H new ATOM 0 HA CYS A 36 1.127 16.066 0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.004 14.212 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.464 13.484 -0.019 1.00 0.00 H new ATOM 544 N GLY A 37 0.024 15.986 3.099 1.00 0.00 N ATOM 545 CA GLY A 37 -0.921 16.539 4.058 1.00 0.00 C ATOM 546 C GLY A 37 -2.321 15.940 3.900 1.00 0.00 C ATOM 547 O GLY A 37 -2.488 14.764 4.211 1.00 0.00 O ATOM 0 H GLY A 37 0.900 15.692 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.560 16.354 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.974 17.620 3.932 1.00 0.00 H new ATOM 551 N PRO A 38 -3.326 16.700 3.426 1.00 0.00 N ATOM 552 CA PRO A 38 -4.691 16.223 3.240 1.00 0.00 C ATOM 553 C PRO A 38 -4.803 14.836 2.608 1.00 0.00 C ATOM 554 O PRO A 38 -5.613 14.020 3.046 1.00 0.00 O ATOM 555 CB PRO A 38 -5.375 17.283 2.374 1.00 0.00 C ATOM 556 CG PRO A 38 -4.678 18.567 2.814 1.00 0.00 C ATOM 557 CD PRO A 38 -3.241 18.109 3.062 1.00 0.00 C ATOM 0 HA PRO A 38 -5.166 16.095 4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.236 17.090 1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.449 17.322 2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.729 19.338 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.130 18.984 3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.629 18.246 2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.778 18.691 3.859 1.00 0.00 H new ATOM 565 N CYS A 39 -3.982 14.551 1.593 1.00 0.00 N ATOM 566 CA CYS A 39 -4.042 13.264 0.897 1.00 0.00 C ATOM 567 C CYS A 39 -3.839 12.092 1.866 1.00 0.00 C ATOM 568 O CYS A 39 -4.343 10.998 1.623 1.00 0.00 O ATOM 569 CB CYS A 39 -3.034 13.216 -0.262 1.00 0.00 C ATOM 570 SG CYS A 39 -1.680 12.024 -0.095 1.00 0.00 S ATOM 0 H CYS A 39 -3.272 15.191 1.237 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.041 13.163 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.577 12.991 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.603 14.210 -0.382 1.00 0.00 H new ATOM 575 N LYS A 40 -3.145 12.315 2.988 1.00 0.00 N ATOM 576 CA LYS A 40 -2.892 11.286 3.981 1.00 0.00 C ATOM 577 C LYS A 40 -4.199 10.627 4.440 1.00 0.00 C ATOM 578 O LYS A 40 -4.184 9.452 4.796 1.00 0.00 O ATOM 579 CB LYS A 40 -2.119 11.897 5.159 1.00 0.00 C ATOM 580 CG LYS A 40 -1.408 10.864 6.048 1.00 0.00 C ATOM 581 CD LYS A 40 -0.284 10.078 5.346 1.00 0.00 C ATOM 582 CE LYS A 40 0.731 10.957 4.598 1.00 0.00 C ATOM 583 NZ LYS A 40 1.283 12.022 5.454 1.00 0.00 N ATOM 0 H LYS A 40 -2.744 13.222 3.226 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.284 10.499 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.379 12.596 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.811 12.474 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.989 11.377 6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.148 10.157 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.247 9.483 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.732 9.379 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.544 10.334 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.250 11.405 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.924 12.620 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.506 12.603 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.809 11.595 6.243 1.00 0.00 H new ATOM 597 N MET A 41 -5.332 11.341 4.392 1.00 0.00 N ATOM 598 CA MET A 41 -6.640 10.801 4.762 1.00 0.00 C ATOM 599 C MET A 41 -7.018 9.564 3.937 1.00 0.00 C ATOM 600 O MET A 41 -7.845 8.763 4.362 1.00 0.00 O ATOM 601 CB MET A 41 -7.705 11.891 4.597 1.00 0.00 C ATOM 602 CG MET A 41 -7.468 13.030 5.593 1.00 0.00 C ATOM 603 SD MET A 41 -8.809 14.242 5.730 1.00 0.00 S ATOM 604 CE MET A 41 -8.760 14.981 4.083 1.00 0.00 C ATOM 0 H MET A 41 -5.363 12.316 4.093 1.00 0.00 H new ATOM 0 HA MET A 41 -6.586 10.483 5.803 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.681 12.280 3.579 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.696 11.465 4.752 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.292 12.597 6.578 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.556 13.554 5.308 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.517 15.762 4.012 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.775 15.413 3.907 1.00 0.00 H new ATOM 0 HE3 MET A 41 -8.959 14.214 3.334 1.00 0.00 H new ATOM 614 N ILE A 42 -6.415 9.389 2.763 1.00 0.00 N ATOM 615 CA ILE A 42 -6.642 8.214 1.931 1.00 0.00 C ATOM 616 C ILE A 42 -6.033 6.976 2.606 1.00 0.00 C ATOM 617 O ILE A 42 -6.545 5.865 2.460 1.00 0.00 O ATOM 618 CB ILE A 42 -6.015 8.446 0.546 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.629 9.682 -0.142 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.227 7.216 -0.344 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.683 10.230 -1.211 1.00 0.00 C ATOM 0 H ILE A 42 -5.756 10.058 2.364 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.712 8.046 1.809 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.948 8.617 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.583 9.415 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.833 10.454 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.779 7.393 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.758 6.347 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.295 7.032 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.135 11.102 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.739 10.517 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.500 9.463 -1.963 1.00 0.00 H new ATOM 633 N ALA A 43 -4.934 7.153 3.346 1.00 0.00 N ATOM 634 CA ALA A 43 -4.222 6.060 3.991 1.00 0.00 C ATOM 635 C ALA A 43 -5.138 5.202 4.879 1.00 0.00 C ATOM 636 O ALA A 43 -5.191 4.002 4.633 1.00 0.00 O ATOM 637 CB ALA A 43 -3.004 6.585 4.760 1.00 0.00 C ATOM 0 H ALA A 43 -4.515 8.068 3.512 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.862 5.397 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.486 5.751 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.326 7.087 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.332 7.290 5.524 1.00 0.00 H new ATOM 643 N PRO A 44 -5.864 5.723 5.891 1.00 0.00 N ATOM 644 CA PRO A 44 -6.745 4.903 6.723 1.00 0.00 C ATOM 645 C PRO A 44 -7.834 4.204 5.905 1.00 0.00 C ATOM 646 O PRO A 44 -8.223 3.083 6.221 1.00 0.00 O ATOM 647 CB PRO A 44 -7.337 5.839 7.781 1.00 0.00 C ATOM 648 CG PRO A 44 -7.198 7.222 7.151 1.00 0.00 C ATOM 649 CD PRO A 44 -5.888 7.091 6.377 1.00 0.00 C ATOM 0 HA PRO A 44 -6.184 4.094 7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.379 5.597 7.993 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.796 5.772 8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.037 7.458 6.496 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.150 8.010 7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.846 7.802 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.030 7.296 7.018 1.00 0.00 H new ATOM 657 N LEU A 45 -8.337 4.850 4.853 1.00 0.00 N ATOM 658 CA LEU A 45 -9.326 4.242 3.967 1.00 0.00 C ATOM 659 C LEU A 45 -8.709 3.000 3.317 1.00 0.00 C ATOM 660 O LEU A 45 -9.244 1.893 3.407 1.00 0.00 O ATOM 661 CB LEU A 45 -9.772 5.261 2.906 1.00 0.00 C ATOM 662 CG LEU A 45 -11.038 6.049 3.282 1.00 0.00 C ATOM 663 CD1 LEU A 45 -12.300 5.184 3.180 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.939 6.699 4.667 1.00 0.00 C ATOM 0 H LEU A 45 -8.073 5.800 4.594 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.208 3.943 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.959 5.965 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.949 4.737 1.967 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.118 6.854 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.172 5.778 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.413 4.824 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.214 4.334 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.860 7.242 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.790 5.927 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.097 7.391 4.685 1.00 0.00 H new ATOM 676 N PHE A 46 -7.554 3.188 2.677 1.00 0.00 N ATOM 677 CA PHE A 46 -6.799 2.102 2.070 1.00 0.00 C ATOM 678 C PHE A 46 -6.487 1.042 3.137 1.00 0.00 C ATOM 679 O PHE A 46 -6.594 -0.149 2.864 1.00 0.00 O ATOM 680 CB PHE A 46 -5.547 2.699 1.418 1.00 0.00 C ATOM 681 CG PHE A 46 -4.539 1.717 0.843 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.792 1.062 -0.377 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.265 1.602 1.431 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.740 0.428 -1.058 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.235 0.898 0.785 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.456 0.354 -0.488 1.00 0.00 C ATOM 0 H PHE A 46 -7.118 4.104 2.567 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.368 1.596 1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.866 3.366 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.037 3.313 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.791 1.047 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.077 2.061 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.919 -0.008 -2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.276 0.776 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.647 -0.118 -1.026 1.00 0.00 H new ATOM 696 N GLU A 47 -6.160 1.458 4.366 1.00 0.00 N ATOM 697 CA GLU A 47 -5.889 0.569 5.491 1.00 0.00 C ATOM 698 C GLU A 47 -7.144 -0.255 5.809 1.00 0.00 C ATOM 699 O GLU A 47 -7.053 -1.454 6.051 1.00 0.00 O ATOM 700 CB GLU A 47 -5.415 1.382 6.707 1.00 0.00 C ATOM 701 CG GLU A 47 -4.555 0.559 7.682 1.00 0.00 C ATOM 702 CD GLU A 47 -5.304 -0.605 8.327 1.00 0.00 C ATOM 703 OE1 GLU A 47 -6.344 -0.327 8.960 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.820 -1.748 8.172 1.00 0.00 O ATOM 0 H GLU A 47 -6.076 2.446 4.607 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.088 -0.123 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.841 2.241 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.284 1.772 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.687 0.171 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.179 1.217 8.466 1.00 0.00 H new ATOM 711 N THR A 48 -8.325 0.364 5.795 1.00 0.00 N ATOM 712 CA THR A 48 -9.570 -0.358 6.027 1.00 0.00 C ATOM 713 C THR A 48 -9.678 -1.459 4.967 1.00 0.00 C ATOM 714 O THR A 48 -9.897 -2.626 5.292 1.00 0.00 O ATOM 715 CB THR A 48 -10.766 0.608 5.996 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.545 1.681 6.893 1.00 0.00 O ATOM 717 CG2 THR A 48 -12.053 -0.105 6.423 1.00 0.00 C ATOM 0 H THR A 48 -8.442 1.363 5.625 1.00 0.00 H new ATOM 0 HA THR A 48 -9.577 -0.817 7.015 1.00 0.00 H new ATOM 0 HB THR A 48 -10.869 0.976 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.824 2.250 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.885 0.598 6.393 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.253 -0.933 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.938 -0.488 7.437 1.00 0.00 H new ATOM 725 N LEU A 49 -9.454 -1.106 3.697 1.00 0.00 N ATOM 726 CA LEU A 49 -9.456 -2.096 2.626 1.00 0.00 C ATOM 727 C LEU A 49 -8.375 -3.156 2.901 1.00 0.00 C ATOM 728 O LEU A 49 -8.586 -4.340 2.642 1.00 0.00 O ATOM 729 CB LEU A 49 -9.253 -1.395 1.275 1.00 0.00 C ATOM 730 CG LEU A 49 -9.708 -2.213 0.061 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.229 -2.403 0.065 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.318 -1.455 -1.213 1.00 0.00 C ATOM 0 H LEU A 49 -9.271 -0.150 3.392 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.417 -2.609 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.796 -0.450 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.196 -1.154 1.160 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.230 -3.192 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.525 -2.986 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.528 -2.929 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.717 -1.429 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.635 -2.024 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.805 -0.480 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.237 -1.321 -1.240 1.00 0.00 H new ATOM 744 N SER A 50 -7.232 -2.733 3.458 1.00 0.00 N ATOM 745 CA SER A 50 -6.142 -3.623 3.828 1.00 0.00 C ATOM 746 C SER A 50 -6.633 -4.669 4.820 1.00 0.00 C ATOM 747 O SER A 50 -6.382 -5.854 4.628 1.00 0.00 O ATOM 748 CB SER A 50 -4.922 -2.866 4.357 1.00 0.00 C ATOM 749 OG SER A 50 -4.525 -1.798 3.521 1.00 0.00 O ATOM 0 H SER A 50 -7.044 -1.752 3.663 1.00 0.00 H new ATOM 0 HA SER A 50 -5.808 -4.133 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.146 -2.478 5.350 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.090 -3.562 4.467 1.00 0.00 H new ATOM 0 HG SER A 50 -4.337 -2.139 2.622 1.00 0.00 H new ATOM 755 N ASN A 51 -7.332 -4.240 5.870 1.00 0.00 N ATOM 756 CA ASN A 51 -7.934 -5.154 6.831 1.00 0.00 C ATOM 757 C ASN A 51 -8.870 -6.109 6.089 1.00 0.00 C ATOM 758 O ASN A 51 -8.736 -7.328 6.183 1.00 0.00 O ATOM 759 CB ASN A 51 -8.701 -4.352 7.897 1.00 0.00 C ATOM 760 CG ASN A 51 -9.706 -5.213 8.658 1.00 0.00 C ATOM 761 OD1 ASN A 51 -9.365 -5.819 9.666 1.00 0.00 O ATOM 762 ND2 ASN A 51 -10.957 -5.275 8.201 1.00 0.00 N ATOM 0 H ASN A 51 -7.495 -3.254 6.075 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.161 -5.736 7.333 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.992 -3.917 8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.224 -3.524 7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.653 -5.836 8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.218 -4.762 7.359 1.00 0.00 H new ATOM 769 N ASP A 52 -9.801 -5.536 5.328 1.00 0.00 N ATOM 770 CA ASP A 52 -10.846 -6.285 4.639 1.00 0.00 C ATOM 771 C ASP A 52 -10.265 -7.394 3.757 1.00 0.00 C ATOM 772 O ASP A 52 -10.775 -8.512 3.771 1.00 0.00 O ATOM 773 CB ASP A 52 -11.722 -5.318 3.828 1.00 0.00 C ATOM 774 CG ASP A 52 -12.361 -4.216 4.675 1.00 0.00 C ATOM 775 OD1 ASP A 52 -12.334 -4.341 5.922 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.854 -3.250 4.053 1.00 0.00 O ATOM 0 H ASP A 52 -9.850 -4.529 5.172 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.467 -6.780 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.116 -4.859 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.509 -5.884 3.330 1.00 0.00 H new ATOM 781 N TYR A 53 -9.205 -7.101 2.996 1.00 0.00 N ATOM 782 CA TYR A 53 -8.545 -8.058 2.114 1.00 0.00 C ATOM 783 C TYR A 53 -7.195 -8.518 2.697 1.00 0.00 C ATOM 784 O TYR A 53 -6.259 -8.808 1.945 1.00 0.00 O ATOM 785 CB TYR A 53 -8.350 -7.381 0.754 1.00 0.00 C ATOM 786 CG TYR A 53 -9.578 -7.219 -0.118 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.406 -6.096 0.043 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.725 -8.032 -1.258 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.371 -5.784 -0.929 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.647 -7.685 -2.258 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.482 -6.570 -2.088 1.00 0.00 C ATOM 792 OH TYR A 53 -12.354 -6.223 -3.076 1.00 0.00 O ATOM 0 H TYR A 53 -8.778 -6.175 2.978 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.161 -8.951 2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.924 -6.392 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.610 -7.953 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.300 -5.470 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.127 -8.925 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.028 -4.939 -0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.714 -8.277 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.300 -6.877 -3.804 1.00 0.00 H new ATOM 802 N ALA A 54 -7.074 -8.597 4.026 1.00 0.00 N ATOM 803 CA ALA A 54 -5.824 -9.003 4.657 1.00 0.00 C ATOM 804 C ALA A 54 -5.380 -10.381 4.154 1.00 0.00 C ATOM 805 O ALA A 54 -6.206 -11.252 3.880 1.00 0.00 O ATOM 806 CB ALA A 54 -5.994 -9.020 6.177 1.00 0.00 C ATOM 0 H ALA A 54 -7.827 -8.385 4.680 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.050 -8.283 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.057 -9.324 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.266 -8.023 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.780 -9.725 6.447 1.00 0.00 H new ATOM 812 N GLY A 55 -4.067 -10.581 4.013 1.00 0.00 N ATOM 813 CA GLY A 55 -3.490 -11.836 3.559 1.00 0.00 C ATOM 814 C GLY A 55 -3.629 -12.003 2.046 1.00 0.00 C ATOM 815 O GLY A 55 -2.629 -12.110 1.340 1.00 0.00 O ATOM 0 H GLY A 55 -3.371 -9.863 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.436 -11.874 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.982 -12.667 4.064 1.00 0.00 H new ATOM 819 N LYS A 56 -4.867 -12.024 1.549 1.00 0.00 N ATOM 820 CA LYS A 56 -5.158 -12.251 0.141 1.00 0.00 C ATOM 821 C LYS A 56 -4.569 -11.173 -0.774 1.00 0.00 C ATOM 822 O LYS A 56 -4.262 -11.465 -1.927 1.00 0.00 O ATOM 823 CB LYS A 56 -6.672 -12.340 -0.074 1.00 0.00 C ATOM 824 CG LYS A 56 -7.275 -13.538 0.674 1.00 0.00 C ATOM 825 CD LYS A 56 -8.672 -13.896 0.150 1.00 0.00 C ATOM 826 CE LYS A 56 -8.614 -14.549 -1.240 1.00 0.00 C ATOM 827 NZ LYS A 56 -9.942 -15.010 -1.679 1.00 0.00 N ATOM 0 H LYS A 56 -5.700 -11.882 2.121 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.683 -13.194 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.144 -11.420 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.885 -12.430 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.616 -14.400 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.334 -13.309 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.159 -14.575 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.284 -12.995 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.219 -13.834 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.924 -15.393 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.865 -15.445 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.307 -15.711 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.593 -14.200 -1.724 1.00 0.00 H new ATOM 841 N VAL A 57 -4.449 -9.936 -0.293 1.00 0.00 N ATOM 842 CA VAL A 57 -3.907 -8.816 -1.055 1.00 0.00 C ATOM 843 C VAL A 57 -2.778 -8.197 -0.233 1.00 0.00 C ATOM 844 O VAL A 57 -2.856 -8.155 1.000 1.00 0.00 O ATOM 845 CB VAL A 57 -5.050 -7.829 -1.326 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.587 -6.507 -1.963 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.190 -8.499 -2.110 1.00 0.00 C ATOM 0 H VAL A 57 -4.731 -9.682 0.654 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.496 -9.122 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.447 -7.542 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.449 -5.860 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.880 -6.010 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.103 -6.713 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.985 -7.774 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.811 -8.862 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.584 -9.337 -1.535 1.00 0.00 H new ATOM 857 N ILE A 58 -1.717 -7.749 -0.913 1.00 0.00 N ATOM 858 CA ILE A 58 -0.571 -7.133 -0.262 1.00 0.00 C ATOM 859 C ILE A 58 -0.735 -5.622 -0.427 1.00 0.00 C ATOM 860 O ILE A 58 -0.778 -5.131 -1.555 1.00 0.00 O ATOM 861 CB ILE A 58 0.748 -7.656 -0.862 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.736 -9.166 -1.184 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.915 -7.331 0.076 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.373 -10.129 -0.052 1.00 0.00 C ATOM 0 H ILE A 58 -1.635 -7.806 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.527 -7.386 0.797 1.00 0.00 H new ATOM 0 HB ILE A 58 0.871 -7.143 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.034 -9.329 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.725 -9.439 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.844 -7.704 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.985 -6.251 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.748 -7.806 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.405 -11.154 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.086 -10.016 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.631 -9.905 0.309 1.00 0.00 H new ATOM 876 N PHE A 59 -0.858 -4.896 0.688 1.00 0.00 N ATOM 877 CA PHE A 59 -1.079 -3.456 0.705 1.00 0.00 C ATOM 878 C PHE A 59 0.197 -2.770 1.157 1.00 0.00 C ATOM 879 O PHE A 59 0.525 -2.800 2.341 1.00 0.00 O ATOM 880 CB PHE A 59 -2.240 -3.101 1.636 1.00 0.00 C ATOM 881 CG PHE A 59 -3.592 -3.524 1.107 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.008 -4.861 1.216 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.484 -2.553 0.620 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.317 -5.215 0.850 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.758 -2.925 0.166 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.175 -4.260 0.275 1.00 0.00 C ATOM 0 H PHE A 59 -0.805 -5.306 1.621 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.341 -3.115 -0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.075 -3.572 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.245 -2.024 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.324 -5.614 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.187 -1.515 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.666 -6.224 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.416 -2.186 -0.266 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.151 -4.554 -0.081 1.00 0.00 H new ATOM 896 N LEU A 60 0.901 -2.151 0.213 1.00 0.00 N ATOM 897 CA LEU A 60 2.170 -1.486 0.435 1.00 0.00 C ATOM 898 C LEU A 60 1.999 0.033 0.391 1.00 0.00 C ATOM 899 O LEU A 60 2.119 0.637 -0.674 1.00 0.00 O ATOM 900 CB LEU A 60 3.148 -1.959 -0.655 1.00 0.00 C ATOM 901 CG LEU A 60 3.452 -3.464 -0.647 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.554 -3.750 -1.674 1.00 0.00 C ATOM 903 CD2 LEU A 60 3.902 -3.964 0.728 1.00 0.00 C ATOM 0 H LEU A 60 0.589 -2.100 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 60 2.560 -1.738 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.739 -1.692 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.085 -1.414 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 60 2.532 -3.991 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.780 -4.816 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.216 -3.447 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.451 -3.190 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.104 -5.034 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.808 -3.437 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.115 -3.777 1.459 1.00 0.00 H new ATOM 915 N LYS A 61 1.707 0.688 1.520 1.00 0.00 N ATOM 916 CA LYS A 61 1.683 2.144 1.510 1.00 0.00 C ATOM 917 C LYS A 61 3.138 2.600 1.605 1.00 0.00 C ATOM 918 O LYS A 61 3.780 2.398 2.636 1.00 0.00 O ATOM 919 CB LYS A 61 0.805 2.704 2.636 1.00 0.00 C ATOM 920 CG LYS A 61 0.578 4.215 2.470 1.00 0.00 C ATOM 921 CD LYS A 61 0.817 4.988 3.774 1.00 0.00 C ATOM 922 CE LYS A 61 2.290 5.030 4.216 1.00 0.00 C ATOM 923 NZ LYS A 61 3.168 5.655 3.209 1.00 0.00 N ATOM 0 H LYS A 61 1.493 0.250 2.416 1.00 0.00 H new ATOM 0 HA LYS A 61 1.231 2.527 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.155 2.189 2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.277 2.509 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.244 4.597 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.442 4.391 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.456 6.009 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.223 4.534 4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.368 5.581 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.635 4.015 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.142 5.688 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.143 5.096 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.838 6.622 3.013 1.00 0.00 H new ATOM 937 N VAL A 62 3.664 3.183 0.523 1.00 0.00 N ATOM 938 CA VAL A 62 5.055 3.598 0.417 1.00 0.00 C ATOM 939 C VAL A 62 5.144 5.120 0.400 1.00 0.00 C ATOM 940 O VAL A 62 4.460 5.787 -0.378 1.00 0.00 O ATOM 941 CB VAL A 62 5.691 2.977 -0.843 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.064 3.590 -1.161 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.894 1.475 -0.616 1.00 0.00 C ATOM 0 H VAL A 62 3.119 3.381 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 62 5.611 3.242 1.284 1.00 0.00 H new ATOM 0 HB VAL A 62 5.017 3.173 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.473 3.122 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.954 4.661 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.740 3.423 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.344 1.030 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.552 1.322 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.931 1.003 -0.422 1.00 0.00 H new ATOM 953 N ASP A 63 5.992 5.667 1.274 1.00 0.00 N ATOM 954 CA ASP A 63 6.290 7.088 1.290 1.00 0.00 C ATOM 955 C ASP A 63 7.374 7.382 0.245 1.00 0.00 C ATOM 956 O ASP A 63 8.543 7.062 0.464 1.00 0.00 O ATOM 957 CB ASP A 63 6.750 7.515 2.683 1.00 0.00 C ATOM 958 CG ASP A 63 7.276 8.940 2.631 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.526 9.815 2.147 1.00 0.00 O ATOM 960 OD2 ASP A 63 8.443 9.124 3.030 1.00 0.00 O ATOM 0 H ASP A 63 6.487 5.132 1.987 1.00 0.00 H new ATOM 0 HA ASP A 63 5.392 7.656 1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.921 7.448 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.529 6.842 3.042 1.00 0.00 H new ATOM 965 N VAL A 64 7.001 8.000 -0.879 1.00 0.00 N ATOM 966 CA VAL A 64 7.933 8.345 -1.949 1.00 0.00 C ATOM 967 C VAL A 64 8.992 9.331 -1.458 1.00 0.00 C ATOM 968 O VAL A 64 10.127 9.282 -1.924 1.00 0.00 O ATOM 969 CB VAL A 64 7.197 8.933 -3.169 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.152 7.955 -3.711 1.00 0.00 C ATOM 971 CG2 VAL A 64 6.575 10.314 -2.917 1.00 0.00 C ATOM 0 H VAL A 64 6.038 8.275 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 64 8.426 7.423 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 64 7.966 9.085 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.650 8.399 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.642 7.030 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.418 7.739 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.076 10.659 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.849 10.244 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.358 11.021 -2.642 1.00 0.00 H new ATOM 981 N ASP A 65 8.613 10.228 -0.537 1.00 0.00 N ATOM 982 CA ASP A 65 9.509 11.234 0.022 1.00 0.00 C ATOM 983 C ASP A 65 10.782 10.546 0.520 1.00 0.00 C ATOM 984 O ASP A 65 11.892 10.963 0.200 1.00 0.00 O ATOM 985 CB ASP A 65 8.783 11.987 1.143 1.00 0.00 C ATOM 986 CG ASP A 65 9.587 13.157 1.686 1.00 0.00 C ATOM 987 OD1 ASP A 65 10.066 13.950 0.846 1.00 0.00 O ATOM 988 OD2 ASP A 65 9.641 13.276 2.931 1.00 0.00 O ATOM 0 H ASP A 65 7.666 10.271 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 65 9.797 11.963 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.827 12.352 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.564 11.295 1.956 1.00 0.00 H new ATOM 993 N ALA A 66 10.604 9.463 1.280 1.00 0.00 N ATOM 994 CA ALA A 66 11.691 8.641 1.775 1.00 0.00 C ATOM 995 C ALA A 66 12.211 7.708 0.679 1.00 0.00 C ATOM 996 O ALA A 66 13.385 7.770 0.315 1.00 0.00 O ATOM 997 CB ALA A 66 11.184 7.829 2.965 1.00 0.00 C ATOM 0 H ALA A 66 9.683 9.134 1.569 1.00 0.00 H new ATOM 0 HA ALA A 66 12.517 9.281 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.990 7.205 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.844 8.506 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.355 7.196 2.647 1.00 0.00 H new ATOM 1003 N VAL A 67 11.354 6.830 0.140 1.00 0.00 N ATOM 1004 CA VAL A 67 11.765 5.824 -0.837 1.00 0.00 C ATOM 1005 C VAL A 67 11.838 6.438 -2.243 1.00 0.00 C ATOM 1006 O VAL A 67 11.185 5.981 -3.187 1.00 0.00 O ATOM 1007 CB VAL A 67 10.836 4.594 -0.761 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.494 3.402 -1.465 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.602 4.152 0.685 1.00 0.00 C ATOM 0 H VAL A 67 10.361 6.801 0.371 1.00 0.00 H new ATOM 0 HA VAL A 67 12.770 5.474 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 67 9.895 4.883 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.834 2.536 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.676 3.652 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.441 3.169 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.943 3.284 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.555 3.891 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.140 4.966 1.244 1.00 0.00 H new ATOM 1019 N ALA A 68 12.700 7.447 -2.386 1.00 0.00 N ATOM 1020 CA ALA A 68 12.918 8.159 -3.633 1.00 0.00 C ATOM 1021 C ALA A 68 13.317 7.189 -4.746 1.00 0.00 C ATOM 1022 O ALA A 68 12.798 7.279 -5.854 1.00 0.00 O ATOM 1023 CB ALA A 68 14.001 9.221 -3.424 1.00 0.00 C ATOM 0 H ALA A 68 13.275 7.794 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 68 11.992 8.647 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.168 9.758 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.679 9.922 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.927 8.739 -3.111 1.00 0.00 H new ATOM 1029 N ALA A 69 14.219 6.248 -4.445 1.00 0.00 N ATOM 1030 CA ALA A 69 14.726 5.267 -5.398 1.00 0.00 C ATOM 1031 C ALA A 69 13.592 4.504 -6.091 1.00 0.00 C ATOM 1032 O ALA A 69 13.498 4.494 -7.318 1.00 0.00 O ATOM 1033 CB ALA A 69 15.660 4.298 -4.669 1.00 0.00 C ATOM 0 H ALA A 69 14.622 6.149 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 69 15.275 5.795 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.043 3.561 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.492 4.852 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.110 3.790 -3.877 1.00 0.00 H new ATOM 1039 N VAL A 70 12.727 3.848 -5.311 1.00 0.00 N ATOM 1040 CA VAL A 70 11.624 3.089 -5.886 1.00 0.00 C ATOM 1041 C VAL A 70 10.683 4.056 -6.593 1.00 0.00 C ATOM 1042 O VAL A 70 10.241 3.773 -7.701 1.00 0.00 O ATOM 1043 CB VAL A 70 10.870 2.282 -4.818 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.777 1.419 -5.464 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.817 1.329 -4.084 1.00 0.00 C ATOM 0 H VAL A 70 12.772 3.830 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 70 12.025 2.370 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 70 10.436 3.002 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.254 0.855 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.068 2.061 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.231 0.727 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.260 0.769 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.261 0.636 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.606 1.903 -3.597 1.00 0.00 H new ATOM 1055 N ALA A 71 10.377 5.191 -5.960 1.00 0.00 N ATOM 1056 CA ALA A 71 9.480 6.178 -6.547 1.00 0.00 C ATOM 1057 C ALA A 71 9.925 6.578 -7.959 1.00 0.00 C ATOM 1058 O ALA A 71 9.129 6.509 -8.895 1.00 0.00 O ATOM 1059 CB ALA A 71 9.389 7.401 -5.634 1.00 0.00 C ATOM 0 H ALA A 71 10.739 5.445 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 71 8.491 5.730 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.717 8.136 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.005 7.100 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.379 7.840 -5.514 1.00 0.00 H new ATOM 1065 N GLU A 72 11.186 6.989 -8.135 1.00 0.00 N ATOM 1066 CA GLU A 72 11.673 7.395 -9.445 1.00 0.00 C ATOM 1067 C GLU A 72 11.742 6.181 -10.377 1.00 0.00 C ATOM 1068 O GLU A 72 11.321 6.280 -11.526 1.00 0.00 O ATOM 1069 CB GLU A 72 13.008 8.151 -9.330 1.00 0.00 C ATOM 1070 CG GLU A 72 14.198 7.306 -8.865 1.00 0.00 C ATOM 1071 CD GLU A 72 15.422 8.171 -8.585 1.00 0.00 C ATOM 1072 OE1 GLU A 72 16.001 8.670 -9.574 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.753 8.323 -7.389 1.00 0.00 O ATOM 0 H GLU A 72 11.879 7.047 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 72 10.971 8.100 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.247 8.583 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.879 8.981 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.925 6.757 -7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.441 6.566 -9.628 1.00 0.00 H new ATOM 1080 N ALA A 73 12.221 5.027 -9.895 1.00 0.00 N ATOM 1081 CA ALA A 73 12.289 3.818 -10.713 1.00 0.00 C ATOM 1082 C ALA A 73 10.903 3.454 -11.265 1.00 0.00 C ATOM 1083 O ALA A 73 10.771 3.080 -12.427 1.00 0.00 O ATOM 1084 CB ALA A 73 12.858 2.663 -9.886 1.00 0.00 C ATOM 0 H ALA A 73 12.566 4.909 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 73 12.949 4.006 -11.560 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.906 1.764 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.859 2.921 -9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.214 2.480 -9.026 1.00 0.00 H new ATOM 1090 N ALA A 74 9.869 3.584 -10.431 1.00 0.00 N ATOM 1091 CA ALA A 74 8.482 3.315 -10.780 1.00 0.00 C ATOM 1092 C ALA A 74 7.837 4.510 -11.503 1.00 0.00 C ATOM 1093 O ALA A 74 6.647 4.469 -11.808 1.00 0.00 O ATOM 1094 CB ALA A 74 7.721 2.958 -9.499 1.00 0.00 C ATOM 0 H ALA A 74 9.983 3.889 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 74 8.439 2.478 -11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.678 2.753 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.169 2.074 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.774 3.792 -8.800 1.00 0.00 H new ATOM 1100 N GLY A 75 8.596 5.578 -11.782 1.00 0.00 N ATOM 1101 CA GLY A 75 8.120 6.757 -12.489 1.00 0.00 C ATOM 1102 C GLY A 75 6.940 7.427 -11.787 1.00 0.00 C ATOM 1103 O GLY A 75 6.023 7.909 -12.448 1.00 0.00 O ATOM 0 H GLY A 75 9.578 5.640 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.936 7.473 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.824 6.475 -13.500 1.00 0.00 H new ATOM 1107 N ILE A 76 6.956 7.478 -10.453 1.00 0.00 N ATOM 1108 CA ILE A 76 5.883 8.114 -9.702 1.00 0.00 C ATOM 1109 C ILE A 76 6.051 9.627 -9.800 1.00 0.00 C ATOM 1110 O ILE A 76 7.153 10.149 -9.640 1.00 0.00 O ATOM 1111 CB ILE A 76 5.879 7.656 -8.235 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.823 6.126 -8.118 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.686 8.287 -7.504 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.595 5.460 -8.742 1.00 0.00 C ATOM 0 H ILE A 76 7.700 7.086 -9.876 1.00 0.00 H new ATOM 0 HA ILE A 76 4.923 7.822 -10.128 1.00 0.00 H new ATOM 0 HB ILE A 76 6.810 7.986 -7.774 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.716 5.711 -8.585 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.862 5.859 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.683 7.962 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.768 9.373 -7.545 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.759 7.975 -7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.656 4.381 -8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.693 5.837 -8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.560 5.687 -9.808 1.00 0.00 H new ATOM 1126 N THR A 77 4.944 10.316 -10.061 1.00 0.00 N ATOM 1127 CA THR A 77 4.885 11.764 -10.201 1.00 0.00 C ATOM 1128 C THR A 77 3.660 12.281 -9.447 1.00 0.00 C ATOM 1129 O THR A 77 3.775 12.855 -8.365 1.00 0.00 O ATOM 1130 CB THR A 77 4.832 12.118 -11.698 1.00 0.00 C ATOM 1131 OG1 THR A 77 3.786 11.393 -12.326 1.00 0.00 O ATOM 1132 CG2 THR A 77 6.151 11.772 -12.397 1.00 0.00 C ATOM 0 H THR A 77 4.037 9.867 -10.184 1.00 0.00 H new ATOM 0 HA THR A 77 5.769 12.238 -9.775 1.00 0.00 H new ATOM 0 HB THR A 77 4.656 13.191 -11.780 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.755 11.623 -13.278 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.083 12.033 -13.453 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.965 12.332 -11.936 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.345 10.704 -12.300 1.00 0.00 H new ATOM 1140 N ALA A 78 2.477 12.054 -10.020 1.00 0.00 N ATOM 1141 CA ALA A 78 1.200 12.482 -9.471 1.00 0.00 C ATOM 1142 C ALA A 78 0.805 11.609 -8.276 1.00 0.00 C ATOM 1143 O ALA A 78 -0.142 10.823 -8.343 1.00 0.00 O ATOM 1144 CB ALA A 78 0.144 12.447 -10.580 1.00 0.00 C ATOM 0 H ALA A 78 2.384 11.553 -10.903 1.00 0.00 H new ATOM 0 HA ALA A 78 1.280 13.504 -9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.817 12.766 -10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.441 13.118 -11.386 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.056 11.432 -10.967 1.00 0.00 H new ATOM 1150 N MET A 79 1.550 11.736 -7.177 1.00 0.00 N ATOM 1151 CA MET A 79 1.223 11.041 -5.944 1.00 0.00 C ATOM 1152 C MET A 79 -0.059 11.682 -5.372 1.00 0.00 C ATOM 1153 O MET A 79 -0.286 12.872 -5.599 1.00 0.00 O ATOM 1154 CB MET A 79 2.425 11.079 -4.982 1.00 0.00 C ATOM 1155 CG MET A 79 2.703 12.453 -4.367 1.00 0.00 C ATOM 1156 SD MET A 79 1.676 12.896 -2.942 1.00 0.00 S ATOM 1157 CE MET A 79 1.429 14.650 -3.302 1.00 0.00 C ATOM 0 H MET A 79 2.386 12.318 -7.122 1.00 0.00 H new ATOM 0 HA MET A 79 1.022 9.983 -6.113 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.254 10.363 -4.178 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.314 10.749 -5.519 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.749 12.490 -4.064 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.568 13.211 -5.139 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.222 15.186 -2.376 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.329 15.057 -3.764 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.587 14.766 -3.984 1.00 0.00 H new ATOM 1167 N PRO A 80 -0.916 10.940 -4.654 1.00 0.00 N ATOM 1168 CA PRO A 80 -0.784 9.529 -4.358 1.00 0.00 C ATOM 1169 C PRO A 80 -1.091 8.703 -5.609 1.00 0.00 C ATOM 1170 O PRO A 80 -2.084 8.946 -6.297 1.00 0.00 O ATOM 1171 CB PRO A 80 -1.760 9.242 -3.220 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.840 10.302 -3.414 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.096 11.491 -4.018 1.00 0.00 C ATOM 0 HA PRO A 80 0.229 9.261 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.169 8.234 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.280 9.330 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.630 9.949 -4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.312 10.567 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.720 12.016 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.824 12.213 -3.248 1.00 0.00 H new ATOM 1181 N THR A 81 -0.202 7.755 -5.912 1.00 0.00 N ATOM 1182 CA THR A 81 -0.279 6.890 -7.075 1.00 0.00 C ATOM 1183 C THR A 81 -0.469 5.449 -6.594 1.00 0.00 C ATOM 1184 O THR A 81 0.285 4.972 -5.745 1.00 0.00 O ATOM 1185 CB THR A 81 0.997 7.067 -7.907 1.00 0.00 C ATOM 1186 OG1 THR A 81 1.226 8.430 -8.211 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.938 6.284 -9.219 1.00 0.00 C ATOM 0 H THR A 81 0.615 7.568 -5.331 1.00 0.00 H new ATOM 0 HA THR A 81 -1.126 7.146 -7.712 1.00 0.00 H new ATOM 0 HB THR A 81 1.813 6.681 -7.296 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.393 8.934 -8.100 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.862 6.438 -9.776 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.817 5.222 -9.004 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.093 6.633 -9.813 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.475 4.767 -7.140 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.868 3.413 -6.792 1.00 0.00 C ATOM 1197 C PHE A 82 -1.404 2.443 -7.874 1.00 0.00 C ATOM 1198 O PHE A 82 -2.041 2.364 -8.922 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.391 3.376 -6.620 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.827 3.999 -5.309 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.716 3.251 -4.123 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.139 5.372 -5.241 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.940 3.865 -2.881 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.333 5.991 -3.994 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.215 5.240 -2.810 1.00 0.00 C ATOM 0 H PHE A 82 -2.063 5.168 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.400 3.108 -5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.863 3.905 -7.448 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.736 2.343 -6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.458 2.203 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.229 5.950 -6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.901 3.277 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.573 7.043 -3.945 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.336 5.720 -1.850 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.312 1.708 -7.639 1.00 0.00 N ATOM 1216 CA HIS A 83 0.178 0.715 -8.595 1.00 0.00 C ATOM 1217 C HIS A 83 -0.284 -0.668 -8.170 1.00 0.00 C ATOM 1218 O HIS A 83 -0.528 -0.883 -6.985 1.00 0.00 O ATOM 1219 CB HIS A 83 1.706 0.716 -8.648 1.00 0.00 C ATOM 1220 CG HIS A 83 2.323 1.780 -9.508 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.665 1.711 -9.884 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.746 2.863 -10.105 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.836 2.753 -10.701 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.710 3.458 -10.889 1.00 0.00 N ATOM 0 H HIS A 83 0.250 1.784 -6.791 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.217 0.968 -9.579 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.087 0.828 -7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.040 -0.257 -9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.724 3.192 -9.985 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.781 3.002 -11.162 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.591 4.272 -11.492 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.370 -1.608 -9.116 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.713 -2.995 -8.826 1.00 0.00 C ATOM 1234 C VAL A 84 0.358 -3.898 -9.447 1.00 0.00 C ATOM 1235 O VAL A 84 0.358 -4.097 -10.663 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.121 -3.332 -9.341 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.522 -4.707 -8.797 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.162 -2.307 -8.871 1.00 0.00 C ATOM 0 H VAL A 84 -0.203 -1.424 -10.105 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.734 -3.159 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.095 -3.321 -10.431 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.520 -4.962 -9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.810 -5.457 -9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.521 -4.682 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.144 -2.582 -9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.192 -2.292 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.891 -1.318 -9.240 1.00 0.00 H new ATOM 1248 N TYR A 85 1.275 -4.446 -8.639 1.00 0.00 N ATOM 1249 CA TYR A 85 2.350 -5.295 -9.162 1.00 0.00 C ATOM 1250 C TYR A 85 1.962 -6.779 -9.141 1.00 0.00 C ATOM 1251 O TYR A 85 2.547 -7.568 -8.402 1.00 0.00 O ATOM 1252 CB TYR A 85 3.682 -5.039 -8.432 1.00 0.00 C ATOM 1253 CG TYR A 85 4.338 -3.721 -8.790 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.868 -2.536 -8.204 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.411 -3.671 -9.700 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.448 -1.305 -8.542 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.957 -2.430 -10.076 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.448 -1.244 -9.523 1.00 0.00 C ATOM 1259 OH TYR A 85 5.853 -0.034 -10.000 1.00 0.00 O ATOM 0 H TYR A 85 1.293 -4.317 -7.627 1.00 0.00 H new ATOM 0 HA TYR A 85 2.500 -5.020 -10.206 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.506 -5.065 -7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.372 -5.851 -8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.058 -2.572 -7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.815 -4.585 -10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.124 -0.402 -8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.767 -2.390 -10.789 1.00 0.00 H new ATOM 0 HH TYR A 85 5.076 0.554 -10.102 1.00 0.00 H new ATOM 1269 N LYS A 86 0.970 -7.173 -9.947 1.00 0.00 N ATOM 1270 CA LYS A 86 0.636 -8.589 -10.108 1.00 0.00 C ATOM 1271 C LYS A 86 1.768 -9.271 -10.883 1.00 0.00 C ATOM 1272 O LYS A 86 2.475 -8.612 -11.647 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.676 -8.754 -10.890 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.927 -8.568 -10.030 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.392 -9.855 -9.326 1.00 0.00 C ATOM 1276 CE LYS A 86 -2.880 -10.922 -10.319 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.851 -11.839 -9.695 1.00 0.00 N ATOM 0 H LYS A 86 0.390 -6.536 -10.493 1.00 0.00 H new ATOM 0 HA LYS A 86 0.513 -9.040 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.696 -8.033 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.699 -9.746 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.730 -7.804 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.736 -8.195 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.570 -10.260 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.196 -9.615 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.339 -10.436 -11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.028 -11.491 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.043 -12.632 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.460 -12.205 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.736 -11.328 -9.501 1.00 0.00 H new ATOM 1291 N ASP A 87 1.921 -10.588 -10.694 1.00 0.00 N ATOM 1292 CA ASP A 87 2.902 -11.476 -11.318 1.00 0.00 C ATOM 1293 C ASP A 87 4.301 -11.165 -10.794 1.00 0.00 C ATOM 1294 O ASP A 87 4.938 -11.989 -10.143 1.00 0.00 O ATOM 1295 CB ASP A 87 2.842 -11.387 -12.850 1.00 0.00 C ATOM 1296 CG ASP A 87 3.853 -12.333 -13.485 1.00 0.00 C ATOM 1297 OD1 ASP A 87 3.522 -13.535 -13.588 1.00 0.00 O ATOM 1298 OD2 ASP A 87 4.941 -11.837 -13.848 1.00 0.00 O ATOM 0 H ASP A 87 1.314 -11.096 -10.051 1.00 0.00 H new ATOM 0 HA ASP A 87 2.657 -12.503 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.838 -11.635 -13.194 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.044 -10.364 -13.168 1.00 0.00 H new ATOM 1303 N GLY A 88 4.748 -9.952 -11.089 1.00 0.00 N ATOM 1304 CA GLY A 88 6.019 -9.372 -10.696 1.00 0.00 C ATOM 1305 C GLY A 88 6.357 -8.177 -11.585 1.00 0.00 C ATOM 1306 O GLY A 88 7.523 -7.953 -11.897 1.00 0.00 O ATOM 0 H GLY A 88 4.192 -9.305 -11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.975 -9.057 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.806 -10.122 -10.769 1.00 0.00 H new ATOM 1310 N VAL A 89 5.347 -7.397 -11.992 1.00 0.00 N ATOM 1311 CA VAL A 89 5.521 -6.236 -12.850 1.00 0.00 C ATOM 1312 C VAL A 89 4.296 -5.345 -12.656 1.00 0.00 C ATOM 1313 O VAL A 89 3.237 -5.852 -12.294 1.00 0.00 O ATOM 1314 CB VAL A 89 5.698 -6.687 -14.315 1.00 0.00 C ATOM 1315 CG1 VAL A 89 4.501 -7.497 -14.835 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.961 -5.501 -15.250 1.00 0.00 C ATOM 0 H VAL A 89 4.376 -7.564 -11.727 1.00 0.00 H new ATOM 0 HA VAL A 89 6.418 -5.672 -12.592 1.00 0.00 H new ATOM 0 HB VAL A 89 6.572 -7.338 -14.316 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.680 -7.788 -15.870 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.373 -8.391 -14.224 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.598 -6.888 -14.780 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.080 -5.862 -16.271 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.120 -4.809 -15.205 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.871 -4.987 -14.939 1.00 0.00 H new ATOM 1326 N LYS A 90 4.437 -4.031 -12.851 1.00 0.00 N ATOM 1327 CA LYS A 90 3.340 -3.083 -12.715 1.00 0.00 C ATOM 1328 C LYS A 90 2.228 -3.442 -13.709 1.00 0.00 C ATOM 1329 O LYS A 90 2.248 -3.004 -14.859 1.00 0.00 O ATOM 1330 CB LYS A 90 3.855 -1.657 -12.963 1.00 0.00 C ATOM 1331 CG LYS A 90 2.787 -0.631 -12.564 1.00 0.00 C ATOM 1332 CD LYS A 90 2.982 0.732 -13.238 1.00 0.00 C ATOM 1333 CE LYS A 90 2.852 0.703 -14.768 1.00 0.00 C ATOM 1334 NZ LYS A 90 1.677 -0.065 -15.222 1.00 0.00 N ATOM 0 H LYS A 90 5.323 -3.597 -13.109 1.00 0.00 H new ATOM 0 HA LYS A 90 2.933 -3.131 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.766 -1.487 -12.389 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.113 -1.534 -14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.803 -1.020 -12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.803 -0.500 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.249 1.432 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.968 1.117 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.781 1.724 -15.143 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.754 0.268 -15.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.507 0.125 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.852 -1.081 -15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.842 0.219 -14.671 1.00 0.00 H new ATOM 1348 N ALA A 91 1.235 -4.205 -13.258 1.00 0.00 N ATOM 1349 CA ALA A 91 0.132 -4.652 -14.087 1.00 0.00 C ATOM 1350 C ALA A 91 -0.904 -3.545 -14.250 1.00 0.00 C ATOM 1351 O ALA A 91 -1.629 -3.531 -15.241 1.00 0.00 O ATOM 1352 CB ALA A 91 -0.499 -5.894 -13.458 1.00 0.00 C ATOM 0 H ALA A 91 1.178 -4.531 -12.293 1.00 0.00 H new ATOM 0 HA ALA A 91 0.508 -4.903 -15.079 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.329 -6.234 -14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.248 -6.685 -13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.867 -5.650 -12.461 1.00 0.00 H new ATOM 1358 N ASP A 92 -0.990 -2.626 -13.282 1.00 0.00 N ATOM 1359 CA ASP A 92 -1.938 -1.522 -13.343 1.00 0.00 C ATOM 1360 C ASP A 92 -1.412 -0.322 -12.560 1.00 0.00 C ATOM 1361 O ASP A 92 -0.486 -0.465 -11.757 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.295 -1.992 -12.806 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.477 -1.336 -13.508 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.317 -0.177 -13.949 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.523 -2.020 -13.590 1.00 0.00 O ATOM 0 H ASP A 92 -0.408 -2.631 -12.444 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.064 -1.204 -14.378 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.368 -3.074 -12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.350 -1.778 -11.739 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.017 0.842 -12.810 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.699 2.143 -12.233 1.00 0.00 C ATOM 1372 C ASP A 93 -3.026 2.834 -11.914 1.00 0.00 C ATOM 1373 O ASP A 93 -4.091 2.272 -12.160 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.881 2.963 -13.251 1.00 0.00 C ATOM 1375 CG ASP A 93 0.058 4.023 -12.672 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -0.373 4.763 -11.763 1.00 0.00 O ATOM 1377 OD2 ASP A 93 1.212 4.082 -13.150 1.00 0.00 O ATOM 0 H ASP A 93 -2.795 0.900 -13.467 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.104 2.045 -11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.288 2.271 -13.849 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.576 3.457 -13.930 1.00 0.00 H new ATOM 1382 N LEU A 94 -2.940 4.066 -11.424 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.019 4.963 -11.024 1.00 0.00 C ATOM 1384 C LEU A 94 -3.380 6.089 -10.211 1.00 0.00 C ATOM 1385 O LEU A 94 -2.392 5.857 -9.520 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.080 4.212 -10.198 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.087 5.097 -9.441 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.011 5.800 -10.441 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.922 4.233 -8.489 1.00 0.00 C ATOM 0 H LEU A 94 -2.029 4.502 -11.284 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.534 5.365 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.634 3.553 -10.866 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.568 3.576 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.543 5.846 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.722 6.425 -9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.417 6.421 -11.111 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.552 5.054 -11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.633 4.863 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.463 3.480 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.264 3.741 -7.772 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.930 7.303 -10.278 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.448 8.466 -9.551 1.00 0.00 C ATOM 1403 C VAL A 95 -4.632 9.159 -8.883 1.00 0.00 C ATOM 1404 O VAL A 95 -5.749 9.100 -9.397 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.719 9.429 -10.507 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.386 8.826 -10.953 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.552 9.797 -11.744 1.00 0.00 C ATOM 0 H VAL A 95 -4.745 7.504 -10.857 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.737 8.153 -8.786 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.549 10.348 -9.946 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.882 9.517 -11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.757 8.647 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.568 7.883 -11.469 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.982 10.478 -12.377 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.789 8.893 -12.305 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.476 10.282 -11.429 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.383 9.815 -7.749 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.390 10.595 -7.042 1.00 0.00 C ATOM 1419 C GLY A 96 -6.235 9.763 -6.076 1.00 0.00 C ATOM 1420 O GLY A 96 -6.149 8.536 -6.022 1.00 0.00 O ATOM 0 H GLY A 96 -3.470 9.818 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.897 11.393 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.047 11.071 -7.770 1.00 0.00 H new ATOM 1424 N ALA A 97 -7.086 10.454 -5.311 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.922 9.891 -4.252 1.00 0.00 C ATOM 1426 C ALA A 97 -9.145 9.122 -4.768 1.00 0.00 C ATOM 1427 O ALA A 97 -10.199 9.146 -4.128 1.00 0.00 O ATOM 1428 CB ALA A 97 -8.375 11.052 -3.357 1.00 0.00 C ATOM 0 H ALA A 97 -7.215 11.460 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.327 9.159 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.003 10.668 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.501 11.545 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.943 11.769 -3.950 1.00 0.00 H new ATOM 1434 N SER A 98 -9.028 8.412 -5.890 1.00 0.00 N ATOM 1435 CA SER A 98 -10.137 7.667 -6.474 1.00 0.00 C ATOM 1436 C SER A 98 -10.353 6.357 -5.713 1.00 0.00 C ATOM 1437 O SER A 98 -10.140 5.275 -6.252 1.00 0.00 O ATOM 1438 CB SER A 98 -9.841 7.422 -7.955 1.00 0.00 C ATOM 1439 OG SER A 98 -9.492 8.640 -8.583 1.00 0.00 O ATOM 0 H SER A 98 -8.159 8.339 -6.419 1.00 0.00 H new ATOM 0 HA SER A 98 -11.060 8.241 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.028 6.703 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.714 6.988 -8.443 1.00 0.00 H new ATOM 0 HG SER A 98 -9.302 8.477 -9.530 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.785 6.462 -4.456 1.00 0.00 N ATOM 1446 CA GLN A 99 -11.038 5.352 -3.541 1.00 0.00 C ATOM 1447 C GLN A 99 -11.906 4.270 -4.196 1.00 0.00 C ATOM 1448 O GLN A 99 -11.640 3.078 -4.057 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.706 5.921 -2.284 1.00 0.00 C ATOM 1450 CG GLN A 99 -10.726 6.799 -1.489 1.00 0.00 C ATOM 1451 CD GLN A 99 -11.429 8.004 -0.874 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -11.912 7.942 0.250 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -11.494 9.115 -1.604 1.00 0.00 N ATOM 0 H GLN A 99 -10.977 7.368 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.098 4.869 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.580 6.509 -2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.061 5.105 -1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.261 6.206 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.926 7.139 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.083 9.137 -2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.955 9.944 -1.230 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.941 4.686 -4.922 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.820 3.796 -5.668 1.00 0.00 C ATOM 1464 C ASP A 100 -13.000 2.951 -6.650 1.00 0.00 C ATOM 1465 O ASP A 100 -13.120 1.726 -6.699 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.881 4.631 -6.407 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.302 5.583 -7.458 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -13.266 6.220 -7.154 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.892 5.643 -8.556 1.00 0.00 O ATOM 0 H ASP A 100 -13.195 5.670 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.326 3.117 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.587 3.956 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.445 5.212 -5.677 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.137 3.611 -7.422 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.301 2.957 -8.408 1.00 0.00 C ATOM 1476 C LYS A 101 -10.230 2.123 -7.697 1.00 0.00 C ATOM 1477 O LYS A 101 -9.830 1.084 -8.208 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.737 4.016 -9.363 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.267 3.400 -10.689 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.189 4.458 -11.799 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.568 4.759 -12.404 1.00 0.00 C ATOM 1482 NZ LYS A 101 -11.474 5.766 -13.474 1.00 0.00 N ATOM 0 H LYS A 101 -12.003 4.621 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.873 2.258 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.500 4.768 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.902 4.528 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.288 2.941 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.953 2.607 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.762 5.376 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.517 4.111 -12.584 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.001 3.841 -12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.240 5.116 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.421 5.948 -13.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.083 6.648 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.852 5.413 -14.229 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.783 2.549 -6.512 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.853 1.794 -5.680 1.00 0.00 C ATOM 1498 C LEU A 102 -9.495 0.434 -5.376 1.00 0.00 C ATOM 1499 O LEU A 102 -8.914 -0.620 -5.639 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.562 2.577 -4.386 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.189 2.334 -3.758 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.191 3.048 -2.401 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.856 0.850 -3.587 1.00 0.00 C ATOM 0 H LEU A 102 -10.063 3.440 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.903 1.641 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.661 3.642 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.327 2.325 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.417 2.725 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.228 2.903 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.365 4.114 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.982 2.636 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.869 0.748 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.599 0.382 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.862 0.361 -4.561 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.720 0.458 -4.840 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.469 -0.750 -4.540 1.00 0.00 C ATOM 1517 C LYS A 103 -11.618 -1.592 -5.809 1.00 0.00 C ATOM 1518 O LYS A 103 -11.356 -2.795 -5.780 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.828 -0.369 -3.941 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.660 0.221 -2.535 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.014 0.652 -1.961 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.831 1.206 -0.543 1.00 0.00 C ATOM 1523 NZ LYS A 103 -15.118 1.618 0.044 1.00 0.00 N ATOM 0 H LYS A 103 -11.213 1.319 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.936 -1.353 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.324 0.355 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.470 -1.249 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.200 -0.517 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.987 1.077 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.465 1.410 -2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.697 -0.197 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.368 0.448 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.152 2.058 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.960 1.988 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.548 2.359 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.757 0.798 0.090 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.010 -0.958 -6.921 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.157 -1.648 -8.196 1.00 0.00 C ATOM 1539 C ALA A 104 -10.858 -2.367 -8.578 1.00 0.00 C ATOM 1540 O ALA A 104 -10.902 -3.542 -8.931 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.577 -0.662 -9.288 1.00 0.00 C ATOM 0 H ALA A 104 -12.231 0.037 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.939 -2.401 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.683 -1.191 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.529 -0.205 -9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.818 0.114 -9.389 1.00 0.00 H new ATOM 1547 N LEU A 105 -9.709 -1.682 -8.511 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.408 -2.268 -8.821 1.00 0.00 C ATOM 1549 C LEU A 105 -8.187 -3.511 -7.967 1.00 0.00 C ATOM 1550 O LEU A 105 -7.905 -4.583 -8.501 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.263 -1.283 -8.532 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.062 -0.167 -9.564 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.081 0.851 -8.976 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.455 -0.694 -10.865 1.00 0.00 C ATOM 0 H LEU A 105 -9.661 -0.700 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.406 -2.518 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.441 -0.824 -7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.335 -1.849 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.035 0.271 -9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.920 1.657 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.492 1.261 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.131 0.360 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.330 0.130 -11.568 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.484 -1.145 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.118 -1.443 -11.298 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.290 -3.365 -6.643 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.051 -4.481 -5.740 1.00 0.00 C ATOM 1568 C VAL A 106 -8.948 -5.654 -6.115 1.00 0.00 C ATOM 1569 O VAL A 106 -8.458 -6.757 -6.336 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.256 -4.049 -4.281 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.136 -5.261 -3.350 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.175 -3.037 -3.891 1.00 0.00 C ATOM 0 H VAL A 106 -8.536 -2.490 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.015 -4.806 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.247 -3.605 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.283 -4.943 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.894 -5.999 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.146 -5.704 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.320 -2.730 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.192 -3.495 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.242 -2.164 -4.541 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.253 -5.411 -6.193 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.227 -6.442 -6.537 1.00 0.00 C ATOM 1584 C ALA A 107 -10.843 -7.142 -7.849 1.00 0.00 C ATOM 1585 O ALA A 107 -10.692 -8.364 -7.888 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.618 -5.810 -6.638 1.00 0.00 C ATOM 0 H ALA A 107 -10.665 -4.494 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.237 -7.201 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.348 -6.577 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.884 -5.361 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.613 -5.041 -7.410 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.672 -6.351 -8.912 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.326 -6.805 -10.251 1.00 0.00 C ATOM 1594 C LYS A 108 -9.088 -7.698 -10.226 1.00 0.00 C ATOM 1595 O LYS A 108 -9.131 -8.838 -10.684 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.093 -5.566 -11.134 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.662 -5.887 -12.574 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.203 -4.629 -13.327 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.291 -3.553 -13.421 1.00 0.00 C ATOM 1600 NZ LYS A 108 -9.840 -2.415 -14.241 1.00 0.00 N ATOM 0 H LYS A 108 -10.776 -5.338 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.141 -7.403 -10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.011 -4.978 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.330 -4.942 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.852 -6.616 -12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.493 -6.347 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.330 -4.211 -12.826 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.890 -4.909 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.195 -3.982 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.550 -3.205 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.595 -1.701 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.991 -1.994 -13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.616 -2.746 -15.201 1.00 0.00 H new ATOM 1614 N HIS A 109 -7.973 -7.165 -9.725 1.00 0.00 N ATOM 1615 CA HIS A 109 -6.704 -7.875 -9.741 1.00 0.00 C ATOM 1616 C HIS A 109 -6.686 -9.026 -8.736 1.00 0.00 C ATOM 1617 O HIS A 109 -5.950 -9.989 -8.941 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.566 -6.877 -9.536 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.353 -6.025 -10.763 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.482 -6.433 -11.772 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -5.943 -4.847 -11.140 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -4.585 -5.492 -12.715 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.444 -4.517 -12.381 1.00 0.00 N ATOM 0 H HIS A 109 -7.929 -6.238 -9.302 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.564 -8.346 -10.714 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.790 -6.238 -8.682 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.647 -7.414 -9.300 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.665 -4.282 -10.570 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.036 -5.514 -13.645 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -5.681 -3.695 -12.936 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.471 -8.956 -7.657 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.589 -10.071 -6.729 1.00 0.00 C ATOM 1633 C ALA A 110 -8.253 -11.231 -7.466 1.00 0.00 C ATOM 1634 O ALA A 110 -7.665 -12.302 -7.584 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.395 -9.670 -5.487 1.00 0.00 C ATOM 0 H ALA A 110 -8.030 -8.139 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.601 -10.372 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.468 -10.521 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.895 -8.845 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.395 -9.358 -5.787 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.468 -10.999 -7.977 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.295 -11.960 -8.702 1.00 0.00 C ATOM 1643 C ALA A 111 -10.830 -13.056 -7.776 1.00 0.00 C ATOM 1644 O ALA A 111 -12.043 -13.221 -7.657 1.00 0.00 O ATOM 1645 CB ALA A 111 -9.547 -12.542 -9.910 1.00 0.00 C ATOM 0 H ALA A 111 -9.920 -10.089 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.161 -11.423 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.190 -13.254 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -9.274 -11.736 -10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.645 -13.050 -9.569 1.00 0.00 H new