USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 734 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 46 TYR OH : rot 30:sc= 0.254 USER MOD Set 1.2: A 77 SER OG : rot -144:sc= 1.47 USER MOD Set 2.1: A 72 ASN : amide:sc= 1.24 K(o=0.75,f=-3.5) USER MOD Set 2.2: A 75 MET CE :methyl -174:sc= -0.49 (180deg=-0.659) USER MOD Set 3.1: A 63 TYR OH : rot 150:sc= 0.959 USER MOD Set 3.2: A 67 LYS NZ :NH3+ 171:sc= 0.942 (180deg=-0.323) USER MOD Set 4.1: A 1 SER N :NH3+ 177:sc= 1.28 (180deg=0.844) USER MOD Set 4.2: A 44 GLN : amide:sc= 0.0953 K(o=1.9,f=-4.4) USER MOD Set 4.3: A 51 GLN : amide:sc= 0.527 K(o=1.9,f=-4.2!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00266 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.278 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0143 K(o=-0.014,f=-0.6) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 0.732 (180deg=-0.206) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.644) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0193) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -0.003 (180deg=-0.14) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.057 (180deg=-0.344) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00196 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.307 F(o=-1.6!,f=-0.31) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.573 K(o=0.57,f=-4.7!) USER MOD Single : A 42 GLN : amide:sc= 0.357 K(o=0.36,f=-0.49) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00512) USER MOD Single : A 48 SER OG : rot 180:sc= -0.826 USER MOD Single : A 50 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.9!) USER MOD Single : A 52 MET CE :methyl 142:sc= -0.388 (180deg=-1.3) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 56 SER OG : rot 12:sc= 0.222 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.26 F(o=-1.3,f=-0.26) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00917 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.563 K(o=-0.56,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 73 GLN : amide:sc= -0.0729 K(o=-0.073,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0507 (180deg=-0.384) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0417 (180deg=-0.325) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.5!) USER MOD Single : A 84 ASN : amide:sc= -0.294 K(o=-0.29,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.643 12.604 -4.639 1.00 0.00 N ATOM 2 CA SER A 1 -7.255 12.839 -5.966 1.00 0.00 C ATOM 3 C SER A 1 -6.991 14.264 -6.457 1.00 0.00 C ATOM 4 O SER A 1 -7.231 14.584 -7.625 1.00 0.00 O ATOM 5 CB SER A 1 -8.754 12.580 -5.873 1.00 0.00 C ATOM 6 OG SER A 1 -9.279 13.139 -4.682 1.00 0.00 O ATOM 0 H1 SER A 1 -6.882 11.647 -4.311 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.610 12.697 -4.712 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.006 13.303 -3.960 1.00 0.00 H new ATOM 0 HA SER A 1 -6.805 12.157 -6.687 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.258 13.011 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.946 11.507 -5.894 1.00 0.00 H new ATOM 0 HG SER A 1 -10.243 12.966 -4.637 1.00 0.00 H new ATOM 14 N LYS A 2 -6.498 15.114 -5.563 1.00 0.00 N ATOM 15 CA LYS A 2 -6.201 16.500 -5.891 1.00 0.00 C ATOM 16 C LYS A 2 -5.341 17.104 -4.788 1.00 0.00 C ATOM 17 O LYS A 2 -5.861 17.537 -3.759 1.00 0.00 O ATOM 18 CB LYS A 2 -7.498 17.306 -6.071 1.00 0.00 C ATOM 19 CG LYS A 2 -7.296 18.786 -6.401 1.00 0.00 C ATOM 20 CD LYS A 2 -6.762 19.016 -7.814 1.00 0.00 C ATOM 21 CE LYS A 2 -5.284 18.679 -7.935 1.00 0.00 C ATOM 22 NZ LYS A 2 -4.738 19.025 -9.272 1.00 0.00 N ATOM 0 H LYS A 2 -6.294 14.862 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.654 16.536 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.086 16.848 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.086 17.230 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.245 19.310 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.603 19.222 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.330 18.408 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.919 20.058 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.727 19.215 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.139 17.615 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.728 18.778 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.251 18.494 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.851 20.045 -9.440 1.00 0.00 H new ATOM 36 N GLN A 3 -4.026 17.079 -5.003 1.00 0.00 N ATOM 37 CA GLN A 3 -3.051 17.550 -4.019 1.00 0.00 C ATOM 38 C GLN A 3 -3.040 16.608 -2.820 1.00 0.00 C ATOM 39 O GLN A 3 -3.755 16.808 -1.839 1.00 0.00 O ATOM 40 CB GLN A 3 -3.309 19.004 -3.598 1.00 0.00 C ATOM 41 CG GLN A 3 -3.188 19.989 -4.751 1.00 0.00 C ATOM 42 CD GLN A 3 -3.100 21.431 -4.299 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.112 22.120 -4.156 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.884 21.901 -4.083 1.00 0.00 N ATOM 0 H GLN A 3 -3.606 16.731 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.064 17.541 -4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.307 19.079 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.602 19.281 -2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.302 19.744 -5.337 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.048 19.874 -5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.073 21.296 -4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.756 22.868 -3.786 1.00 0.00 H new ATOM 53 N PRO A 4 -2.219 15.552 -2.916 1.00 0.00 N ATOM 54 CA PRO A 4 -2.270 14.394 -2.009 1.00 0.00 C ATOM 55 C PRO A 4 -1.889 14.714 -0.566 1.00 0.00 C ATOM 56 O PRO A 4 -2.220 13.959 0.350 1.00 0.00 O ATOM 57 CB PRO A 4 -1.251 13.428 -2.614 1.00 0.00 C ATOM 58 CG PRO A 4 -0.311 14.295 -3.374 1.00 0.00 C ATOM 59 CD PRO A 4 -1.146 15.414 -3.918 1.00 0.00 C ATOM 0 HA PRO A 4 -3.286 14.005 -1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.731 12.865 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.734 12.701 -3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.481 14.675 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.172 13.739 -4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.570 16.334 -4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.544 15.176 -4.904 1.00 0.00 H new ATOM 67 N THR A 5 -1.189 15.819 -0.362 1.00 0.00 N ATOM 68 CA THR A 5 -0.762 16.198 0.973 1.00 0.00 C ATOM 69 C THR A 5 -1.921 16.852 1.735 1.00 0.00 C ATOM 70 O THR A 5 -3.053 16.865 1.249 1.00 0.00 O ATOM 71 CB THR A 5 0.467 17.136 0.920 1.00 0.00 C ATOM 72 OG1 THR A 5 1.011 17.319 2.232 1.00 0.00 O ATOM 73 CG2 THR A 5 0.113 18.488 0.322 1.00 0.00 C ATOM 0 H THR A 5 -0.907 16.465 -1.099 1.00 0.00 H new ATOM 0 HA THR A 5 -0.463 15.296 1.507 1.00 0.00 H new ATOM 0 HB THR A 5 1.212 16.664 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.789 17.913 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.001 19.120 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.259 18.351 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.657 18.964 0.929 1.00 0.00 H new ATOM 81 N SER A 6 -1.631 17.380 2.922 1.00 0.00 N ATOM 82 CA SER A 6 -2.645 17.968 3.796 1.00 0.00 C ATOM 83 C SER A 6 -3.591 16.892 4.320 1.00 0.00 C ATOM 84 O SER A 6 -4.631 16.596 3.722 1.00 0.00 O ATOM 85 CB SER A 6 -3.422 19.077 3.077 1.00 0.00 C ATOM 86 OG SER A 6 -2.538 20.030 2.506 1.00 0.00 O ATOM 0 H SER A 6 -0.686 17.413 3.306 1.00 0.00 H new ATOM 0 HA SER A 6 -2.135 18.420 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.046 18.641 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.091 19.572 3.781 1.00 0.00 H new ATOM 0 HG SER A 6 -3.057 20.726 2.052 1.00 0.00 H new ATOM 92 N ALA A 7 -3.203 16.283 5.428 1.00 0.00 N ATOM 93 CA ALA A 7 -3.994 15.230 6.039 1.00 0.00 C ATOM 94 C ALA A 7 -4.685 15.740 7.298 1.00 0.00 C ATOM 95 O ALA A 7 -4.589 16.920 7.633 1.00 0.00 O ATOM 96 CB ALA A 7 -3.119 14.027 6.359 1.00 0.00 C ATOM 0 H ALA A 7 -2.339 16.502 5.925 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.762 14.920 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.727 13.246 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.672 13.647 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.330 14.324 7.050 1.00 0.00 H new ATOM 102 N GLU A 8 -5.371 14.844 7.991 1.00 0.00 N ATOM 103 CA GLU A 8 -6.104 15.196 9.193 1.00 0.00 C ATOM 104 C GLU A 8 -6.211 13.970 10.095 1.00 0.00 C ATOM 105 O GLU A 8 -5.720 12.898 9.739 1.00 0.00 O ATOM 106 CB GLU A 8 -7.495 15.727 8.813 1.00 0.00 C ATOM 107 CG GLU A 8 -7.884 17.018 9.525 1.00 0.00 C ATOM 108 CD GLU A 8 -8.241 16.806 10.981 1.00 0.00 C ATOM 109 OE1 GLU A 8 -7.323 16.751 11.829 1.00 0.00 O ATOM 110 OE2 GLU A 8 -9.444 16.676 11.283 1.00 0.00 O ATOM 0 H GLU A 8 -5.434 13.858 7.736 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.577 15.981 9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.527 15.895 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.238 14.962 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.058 17.726 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.733 17.469 9.010 1.00 0.00 H new ATOM 117 N ASN A 9 -6.838 14.148 11.253 1.00 0.00 N ATOM 118 CA ASN A 9 -7.026 13.083 12.236 1.00 0.00 C ATOM 119 C ASN A 9 -5.700 12.716 12.891 1.00 0.00 C ATOM 120 O ASN A 9 -5.124 11.660 12.618 1.00 0.00 O ATOM 121 CB ASN A 9 -7.688 11.843 11.616 1.00 0.00 C ATOM 122 CG ASN A 9 -8.023 10.781 12.648 1.00 0.00 C ATOM 123 OD1 ASN A 9 -8.351 11.087 13.798 1.00 0.00 O ATOM 124 ND2 ASN A 9 -7.940 9.523 12.247 1.00 0.00 N ATOM 0 H ASN A 9 -7.234 15.043 11.540 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.701 13.462 13.004 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.600 12.143 11.100 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.022 11.417 10.865 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.151 8.766 12.897 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.665 9.311 11.288 1.00 0.00 H new ATOM 131 N SER A 10 -5.215 13.633 13.727 1.00 0.00 N ATOM 132 CA SER A 10 -4.001 13.443 14.523 1.00 0.00 C ATOM 133 C SER A 10 -2.731 13.471 13.673 1.00 0.00 C ATOM 134 O SER A 10 -1.865 14.325 13.878 1.00 0.00 O ATOM 135 CB SER A 10 -4.090 12.139 15.322 1.00 0.00 C ATOM 136 OG SER A 10 -5.247 12.137 16.146 1.00 0.00 O ATOM 0 H SER A 10 -5.659 14.540 13.873 1.00 0.00 H new ATOM 0 HA SER A 10 -3.934 14.283 15.214 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.121 11.289 14.640 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.198 12.021 15.937 1.00 0.00 H new ATOM 0 HG SER A 10 -5.290 11.296 16.648 1.00 0.00 H new ATOM 142 N VAL A 11 -2.641 12.550 12.720 1.00 0.00 N ATOM 143 CA VAL A 11 -1.451 12.377 11.881 1.00 0.00 C ATOM 144 C VAL A 11 -0.286 11.842 12.726 1.00 0.00 C ATOM 145 O VAL A 11 -0.322 11.914 13.958 1.00 0.00 O ATOM 146 CB VAL A 11 -1.033 13.696 11.168 1.00 0.00 C ATOM 147 CG1 VAL A 11 0.048 13.450 10.124 1.00 0.00 C ATOM 148 CG2 VAL A 11 -2.238 14.378 10.530 1.00 0.00 C ATOM 0 H VAL A 11 -3.394 11.896 12.503 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.703 11.656 11.104 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.621 14.358 11.930 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.315 14.393 9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.929 13.025 10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.325 12.755 9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.918 15.297 10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.687 13.710 9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.972 14.615 11.300 1.00 0.00 H new ATOM 158 N ALA A 12 0.723 11.283 12.056 1.00 0.00 N ATOM 159 CA ALA A 12 1.908 10.738 12.718 1.00 0.00 C ATOM 160 C ALA A 12 1.544 9.498 13.531 1.00 0.00 C ATOM 161 O ALA A 12 0.503 8.882 13.290 1.00 0.00 O ATOM 162 CB ALA A 12 2.576 11.795 13.597 1.00 0.00 C ATOM 0 H ALA A 12 0.741 11.196 11.040 1.00 0.00 H new ATOM 0 HA ALA A 12 2.624 10.443 11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.455 11.366 14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.877 12.643 12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.873 12.132 14.359 1.00 0.00 H new ATOM 168 N LYS A 13 2.413 9.131 14.476 1.00 0.00 N ATOM 169 CA LYS A 13 2.185 7.979 15.351 1.00 0.00 C ATOM 170 C LYS A 13 2.289 6.666 14.576 1.00 0.00 C ATOM 171 O LYS A 13 2.842 6.629 13.475 1.00 0.00 O ATOM 172 CB LYS A 13 0.835 8.091 16.075 1.00 0.00 C ATOM 173 CG LYS A 13 0.780 9.257 17.049 1.00 0.00 C ATOM 174 CD LYS A 13 -0.558 9.346 17.760 1.00 0.00 C ATOM 175 CE LYS A 13 -0.546 10.459 18.794 1.00 0.00 C ATOM 176 NZ LYS A 13 -1.843 10.579 19.507 1.00 0.00 N ATOM 0 H LYS A 13 3.289 9.621 14.655 1.00 0.00 H new ATOM 0 HA LYS A 13 2.969 7.979 16.109 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.041 8.203 15.337 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.640 7.164 16.614 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.575 9.150 17.787 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.967 10.187 16.511 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.350 9.527 17.033 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.781 8.396 18.245 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.248 10.272 19.517 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.314 11.405 18.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.787 11.351 20.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.598 10.784 18.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.054 9.686 19.997 1.00 0.00 H new ATOM 190 N LYS A 14 1.790 5.589 15.161 1.00 0.00 N ATOM 191 CA LYS A 14 1.948 4.265 14.579 1.00 0.00 C ATOM 192 C LYS A 14 0.742 3.857 13.743 1.00 0.00 C ATOM 193 O LYS A 14 -0.325 4.467 13.827 1.00 0.00 O ATOM 194 CB LYS A 14 2.198 3.229 15.678 1.00 0.00 C ATOM 195 CG LYS A 14 3.615 3.262 16.229 1.00 0.00 C ATOM 196 CD LYS A 14 4.628 2.890 15.158 1.00 0.00 C ATOM 197 CE LYS A 14 4.455 1.446 14.707 1.00 0.00 C ATOM 198 NZ LYS A 14 5.129 1.189 13.408 1.00 0.00 N ATOM 0 H LYS A 14 1.272 5.605 16.039 1.00 0.00 H new ATOM 0 HA LYS A 14 2.810 4.305 13.913 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.495 3.399 16.494 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.993 2.234 15.282 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.836 4.258 16.613 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.698 2.571 17.068 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.516 3.556 14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.637 3.034 15.544 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.861 0.777 15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.393 1.218 14.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.799 0.283 13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.903 1.955 12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.158 1.149 13.553 1.00 0.00 H new ATOM 212 N GLU A 15 0.940 2.822 12.933 1.00 0.00 N ATOM 213 CA GLU A 15 -0.115 2.251 12.105 1.00 0.00 C ATOM 214 C GLU A 15 -1.288 1.788 12.966 1.00 0.00 C ATOM 215 O GLU A 15 -1.146 1.579 14.176 1.00 0.00 O ATOM 216 CB GLU A 15 0.416 1.067 11.284 1.00 0.00 C ATOM 217 CG GLU A 15 1.673 1.366 10.472 1.00 0.00 C ATOM 218 CD GLU A 15 2.946 1.308 11.302 1.00 0.00 C ATOM 219 OE1 GLU A 15 3.502 0.205 11.478 1.00 0.00 O ATOM 220 OE2 GLU A 15 3.396 2.363 11.799 1.00 0.00 O ATOM 0 H GLU A 15 1.841 2.354 12.832 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.459 3.029 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.626 0.238 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.368 0.733 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.748 0.651 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.583 2.356 10.025 1.00 0.00 H new ATOM 227 N ASP A 16 -2.440 1.616 12.338 1.00 0.00 N ATOM 228 CA ASP A 16 -3.647 1.218 13.047 1.00 0.00 C ATOM 229 C ASP A 16 -3.637 -0.284 13.321 1.00 0.00 C ATOM 230 O ASP A 16 -3.868 -1.090 12.419 1.00 0.00 O ATOM 231 CB ASP A 16 -4.889 1.617 12.241 1.00 0.00 C ATOM 232 CG ASP A 16 -6.183 1.390 13.000 1.00 0.00 C ATOM 233 OD1 ASP A 16 -6.314 1.896 14.140 1.00 0.00 O ATOM 234 OD2 ASP A 16 -7.091 0.732 12.456 1.00 0.00 O ATOM 0 H ASP A 16 -2.565 1.746 11.334 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.677 1.736 14.006 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.815 2.669 11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.913 1.046 11.313 1.00 0.00 H new ATOM 239 N LYS A 17 -3.349 -0.635 14.576 1.00 0.00 N ATOM 240 CA LYS A 17 -3.253 -2.030 15.031 1.00 0.00 C ATOM 241 C LYS A 17 -2.030 -2.736 14.454 1.00 0.00 C ATOM 242 O LYS A 17 -2.031 -3.183 13.310 1.00 0.00 O ATOM 243 CB LYS A 17 -4.526 -2.839 14.722 1.00 0.00 C ATOM 244 CG LYS A 17 -5.718 -2.485 15.606 1.00 0.00 C ATOM 245 CD LYS A 17 -6.356 -1.171 15.193 1.00 0.00 C ATOM 246 CE LYS A 17 -7.384 -0.697 16.203 1.00 0.00 C ATOM 247 NZ LYS A 17 -8.044 0.560 15.762 1.00 0.00 N ATOM 0 H LYS A 17 -3.174 0.046 15.315 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.143 -1.982 16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.801 -2.680 13.679 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.306 -3.900 14.835 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.460 -3.282 15.552 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.394 -2.421 16.645 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.582 -0.412 15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.832 -1.289 14.219 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.136 -1.472 16.349 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.901 -0.536 17.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.397 1.076 16.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.358 1.152 15.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.839 0.332 15.132 1.00 0.00 H new ATOM 261 N VAL A 18 -0.985 -2.828 15.267 1.00 0.00 N ATOM 262 CA VAL A 18 0.238 -3.531 14.894 1.00 0.00 C ATOM 263 C VAL A 18 0.321 -4.864 15.642 1.00 0.00 C ATOM 264 O VAL A 18 0.827 -4.924 16.762 1.00 0.00 O ATOM 265 CB VAL A 18 1.498 -2.693 15.200 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.752 -3.393 14.691 1.00 0.00 C ATOM 267 CG2 VAL A 18 1.379 -1.302 14.594 1.00 0.00 C ATOM 0 H VAL A 18 -0.960 -2.419 16.201 1.00 0.00 H new ATOM 0 HA VAL A 18 0.201 -3.706 13.819 1.00 0.00 H new ATOM 0 HB VAL A 18 1.581 -2.590 16.282 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.627 -2.783 14.918 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.850 -4.363 15.177 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.678 -3.534 13.613 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.277 -0.728 14.821 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.265 -1.385 13.513 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.509 -0.796 15.013 1.00 0.00 H new ATOM 277 N PRO A 19 -0.249 -5.935 15.074 1.00 0.00 N ATOM 278 CA PRO A 19 -0.338 -7.228 15.739 1.00 0.00 C ATOM 279 C PRO A 19 0.873 -8.132 15.491 1.00 0.00 C ATOM 280 O PRO A 19 1.217 -8.424 14.345 1.00 0.00 O ATOM 281 CB PRO A 19 -1.595 -7.830 15.114 1.00 0.00 C ATOM 282 CG PRO A 19 -1.687 -7.237 13.741 1.00 0.00 C ATOM 283 CD PRO A 19 -0.844 -5.982 13.730 1.00 0.00 C ATOM 0 HA PRO A 19 -0.369 -7.126 16.824 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.528 -8.917 15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.479 -7.590 15.704 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.330 -7.945 12.993 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.723 -7.005 13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.077 -6.024 12.956 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.449 -5.097 13.531 1.00 0.00 H new ATOM 291 N VAL A 20 1.496 -8.572 16.587 1.00 0.00 N ATOM 292 CA VAL A 20 2.590 -9.539 16.553 1.00 0.00 C ATOM 293 C VAL A 20 3.833 -8.992 15.851 1.00 0.00 C ATOM 294 O VAL A 20 3.914 -8.948 14.623 1.00 0.00 O ATOM 295 CB VAL A 20 2.146 -10.854 15.887 1.00 0.00 C ATOM 296 CG1 VAL A 20 3.295 -11.849 15.809 1.00 0.00 C ATOM 297 CG2 VAL A 20 0.964 -11.458 16.634 1.00 0.00 C ATOM 0 H VAL A 20 1.252 -8.264 17.528 1.00 0.00 H new ATOM 0 HA VAL A 20 2.858 -9.737 17.591 1.00 0.00 H new ATOM 0 HB VAL A 20 1.834 -10.625 14.868 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.950 -12.767 15.334 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.108 -11.421 15.223 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.651 -12.073 16.814 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.664 -12.387 16.149 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.252 -11.663 17.665 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.130 -10.757 16.623 1.00 0.00 H new ATOM 307 N LYS A 21 4.802 -8.581 16.651 1.00 0.00 N ATOM 308 CA LYS A 21 6.066 -8.093 16.126 1.00 0.00 C ATOM 309 C LYS A 21 7.021 -9.256 15.878 1.00 0.00 C ATOM 310 O LYS A 21 7.437 -9.938 16.814 1.00 0.00 O ATOM 311 CB LYS A 21 6.723 -7.105 17.096 1.00 0.00 C ATOM 312 CG LYS A 21 5.899 -5.865 17.406 1.00 0.00 C ATOM 313 CD LYS A 21 6.717 -4.872 18.221 1.00 0.00 C ATOM 314 CE LYS A 21 5.904 -3.655 18.626 1.00 0.00 C ATOM 315 NZ LYS A 21 4.894 -3.974 19.667 1.00 0.00 N ATOM 0 H LYS A 21 4.737 -8.576 17.669 1.00 0.00 H new ATOM 0 HA LYS A 21 5.857 -7.581 15.187 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.937 -7.624 18.030 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.680 -6.792 16.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.569 -5.399 16.478 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.002 -6.146 17.958 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.099 -5.365 19.115 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.582 -4.552 17.639 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.574 -2.880 18.998 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.402 -3.247 17.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.410 -3.101 19.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.197 -4.643 19.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.366 -4.401 20.489 1.00 0.00 H new ATOM 329 N LYS A 22 7.351 -9.492 14.619 1.00 0.00 N ATOM 330 CA LYS A 22 8.349 -10.491 14.266 1.00 0.00 C ATOM 331 C LYS A 22 9.374 -9.873 13.329 1.00 0.00 C ATOM 332 O LYS A 22 9.113 -9.694 12.140 1.00 0.00 O ATOM 333 CB LYS A 22 7.703 -11.713 13.603 1.00 0.00 C ATOM 334 CG LYS A 22 6.612 -12.371 14.434 1.00 0.00 C ATOM 335 CD LYS A 22 6.085 -13.630 13.763 1.00 0.00 C ATOM 336 CE LYS A 22 7.060 -14.792 13.898 1.00 0.00 C ATOM 337 NZ LYS A 22 7.120 -15.305 15.294 1.00 0.00 N ATOM 0 H LYS A 22 6.942 -9.005 13.822 1.00 0.00 H new ATOM 0 HA LYS A 22 8.839 -10.826 15.180 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.281 -11.411 12.644 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.478 -12.450 13.393 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.004 -12.620 15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.793 -11.667 14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.128 -13.905 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.902 -13.430 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.760 -15.597 13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.054 -14.471 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.585 -16.235 15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.662 -14.642 15.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.155 -15.396 15.672 1.00 0.00 H new ATOM 351 N GLN A 23 10.528 -9.521 13.868 1.00 0.00 N ATOM 352 CA GLN A 23 11.550 -8.846 13.081 1.00 0.00 C ATOM 353 C GLN A 23 12.575 -9.830 12.514 1.00 0.00 C ATOM 354 O GLN A 23 13.633 -10.064 13.101 1.00 0.00 O ATOM 355 CB GLN A 23 12.232 -7.754 13.914 1.00 0.00 C ATOM 356 CG GLN A 23 12.731 -8.221 15.272 1.00 0.00 C ATOM 357 CD GLN A 23 13.327 -7.090 16.089 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.525 -6.822 16.021 1.00 0.00 O ATOM 359 NE2 GLN A 23 12.496 -6.425 16.875 1.00 0.00 N ATOM 0 H GLN A 23 10.782 -9.689 14.841 1.00 0.00 H new ATOM 0 HA GLN A 23 11.058 -8.375 12.230 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.074 -7.355 13.348 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.529 -6.934 14.061 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.906 -8.669 15.825 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.481 -8.999 15.132 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.508 -6.678 16.903 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.843 -5.659 17.453 1.00 0.00 H new ATOM 368 N LYS A 24 12.241 -10.419 11.376 1.00 0.00 N ATOM 369 CA LYS A 24 13.168 -11.292 10.672 1.00 0.00 C ATOM 370 C LYS A 24 13.991 -10.470 9.694 1.00 0.00 C ATOM 371 O LYS A 24 13.580 -9.378 9.299 1.00 0.00 O ATOM 372 CB LYS A 24 12.422 -12.399 9.925 1.00 0.00 C ATOM 373 CG LYS A 24 11.860 -13.473 10.835 1.00 0.00 C ATOM 374 CD LYS A 24 11.141 -14.547 10.038 1.00 0.00 C ATOM 375 CE LYS A 24 10.738 -15.718 10.918 1.00 0.00 C ATOM 376 NZ LYS A 24 11.923 -16.435 11.462 1.00 0.00 N ATOM 0 H LYS A 24 11.335 -10.308 10.920 1.00 0.00 H new ATOM 0 HA LYS A 24 13.826 -11.763 11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.606 -11.955 9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 24 13.099 -12.861 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.668 -13.924 11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.170 -13.024 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.254 -14.121 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.788 -14.900 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.121 -15.358 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.126 -16.412 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.630 -17.365 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.628 -16.562 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.340 -15.879 12.236 1.00 0.00 H new ATOM 390 N THR A 25 15.144 -10.982 9.298 1.00 0.00 N ATOM 391 CA THR A 25 16.006 -10.261 8.384 1.00 0.00 C ATOM 392 C THR A 25 15.597 -10.543 6.943 1.00 0.00 C ATOM 393 O THR A 25 16.248 -11.301 6.222 1.00 0.00 O ATOM 394 CB THR A 25 17.484 -10.626 8.602 1.00 0.00 C ATOM 395 OG1 THR A 25 17.777 -10.602 10.007 1.00 0.00 O ATOM 396 CG2 THR A 25 18.396 -9.646 7.879 1.00 0.00 C ATOM 0 H THR A 25 15.501 -11.890 9.595 1.00 0.00 H new ATOM 0 HA THR A 25 15.893 -9.195 8.584 1.00 0.00 H new ATOM 0 HB THR A 25 17.659 -11.624 8.200 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.718 -10.836 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.436 -9.925 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 25 18.183 -9.671 6.810 1.00 0.00 H new ATOM 0 HG23 THR A 25 18.224 -8.639 8.260 1.00 0.00 H new ATOM 404 N ARG A 26 14.471 -9.968 6.556 1.00 0.00 N ATOM 405 CA ARG A 26 13.951 -10.100 5.205 1.00 0.00 C ATOM 406 C ARG A 26 13.753 -8.710 4.619 1.00 0.00 C ATOM 407 O ARG A 26 13.858 -7.715 5.335 1.00 0.00 O ATOM 408 CB ARG A 26 12.606 -10.842 5.212 1.00 0.00 C ATOM 409 CG ARG A 26 12.648 -12.258 5.777 1.00 0.00 C ATOM 410 CD ARG A 26 13.339 -13.237 4.838 1.00 0.00 C ATOM 411 NE ARG A 26 14.792 -13.229 4.989 1.00 0.00 N ATOM 412 CZ ARG A 26 15.582 -14.206 4.552 1.00 0.00 C ATOM 413 NH1 ARG A 26 15.068 -15.222 3.867 1.00 0.00 N ATOM 414 NH2 ARG A 26 16.885 -14.155 4.785 1.00 0.00 N ATOM 0 H ARG A 26 13.891 -9.396 7.170 1.00 0.00 H new ATOM 0 HA ARG A 26 14.660 -10.670 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.890 -10.258 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.229 -10.887 4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.168 -12.249 6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.631 -12.600 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.963 -14.243 5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.083 -12.989 3.808 1.00 0.00 H new ATOM 0 HE ARG A 26 15.224 -12.431 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.067 -15.253 3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.675 -15.970 3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.281 -13.368 5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.493 -14.903 4.451 1.00 0.00 H new ATOM 428 N THR A 27 13.471 -8.632 3.329 1.00 0.00 N ATOM 429 CA THR A 27 13.138 -7.359 2.720 1.00 0.00 C ATOM 430 C THR A 27 11.643 -7.104 2.832 1.00 0.00 C ATOM 431 O THR A 27 10.830 -8.004 2.611 1.00 0.00 O ATOM 432 CB THR A 27 13.569 -7.290 1.248 1.00 0.00 C ATOM 433 OG1 THR A 27 13.163 -8.475 0.554 1.00 0.00 O ATOM 434 CG2 THR A 27 15.075 -7.124 1.132 1.00 0.00 C ATOM 0 H THR A 27 13.466 -9.427 2.690 1.00 0.00 H new ATOM 0 HA THR A 27 13.686 -6.587 3.260 1.00 0.00 H new ATOM 0 HB THR A 27 13.085 -6.424 0.797 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.443 -8.417 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.356 -7.078 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.379 -6.203 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.572 -7.972 1.603 1.00 0.00 H new ATOM 442 N VAL A 28 11.288 -5.878 3.179 1.00 0.00 N ATOM 443 CA VAL A 28 9.900 -5.520 3.444 1.00 0.00 C ATOM 444 C VAL A 28 9.608 -4.115 2.941 1.00 0.00 C ATOM 445 O VAL A 28 10.459 -3.480 2.316 1.00 0.00 O ATOM 446 CB VAL A 28 9.566 -5.584 4.956 1.00 0.00 C ATOM 447 CG1 VAL A 28 9.599 -7.017 5.466 1.00 0.00 C ATOM 448 CG2 VAL A 28 10.524 -4.715 5.761 1.00 0.00 C ATOM 0 H VAL A 28 11.947 -5.106 3.285 1.00 0.00 H new ATOM 0 HA VAL A 28 9.280 -6.245 2.917 1.00 0.00 H new ATOM 0 HB VAL A 28 8.555 -5.198 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.361 -7.030 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.866 -7.614 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.594 -7.435 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.269 -4.776 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.545 -5.066 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.444 -3.680 5.428 1.00 0.00 H new ATOM 458 N PHE A 29 8.405 -3.633 3.212 1.00 0.00 N ATOM 459 CA PHE A 29 8.027 -2.282 2.851 1.00 0.00 C ATOM 460 C PHE A 29 8.436 -1.312 3.949 1.00 0.00 C ATOM 461 O PHE A 29 8.468 -1.672 5.125 1.00 0.00 O ATOM 462 CB PHE A 29 6.521 -2.196 2.614 1.00 0.00 C ATOM 463 CG PHE A 29 6.048 -2.965 1.416 1.00 0.00 C ATOM 464 CD1 PHE A 29 6.064 -2.382 0.160 1.00 0.00 C ATOM 465 CD2 PHE A 29 5.583 -4.262 1.546 1.00 0.00 C ATOM 466 CE1 PHE A 29 5.621 -3.081 -0.947 1.00 0.00 C ATOM 467 CE2 PHE A 29 5.140 -4.966 0.444 1.00 0.00 C ATOM 468 CZ PHE A 29 5.160 -4.375 -0.804 1.00 0.00 C ATOM 0 H PHE A 29 7.672 -4.163 3.683 1.00 0.00 H new ATOM 0 HA PHE A 29 8.543 -2.012 1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.002 -2.566 3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.241 -1.149 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.426 -1.371 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.566 -4.728 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.635 -2.616 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.778 -5.977 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.815 -4.924 -1.668 1.00 0.00 H new ATOM 478 N SER A 30 8.740 -0.086 3.561 1.00 0.00 N ATOM 479 CA SER A 30 9.173 0.927 4.505 1.00 0.00 C ATOM 480 C SER A 30 7.976 1.466 5.277 1.00 0.00 C ATOM 481 O SER A 30 6.845 1.425 4.787 1.00 0.00 O ATOM 482 CB SER A 30 9.890 2.054 3.761 1.00 0.00 C ATOM 483 OG SER A 30 10.916 1.532 2.930 1.00 0.00 O ATOM 0 H SER A 30 8.694 0.232 2.593 1.00 0.00 H new ATOM 0 HA SER A 30 9.869 0.483 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.174 2.611 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.317 2.756 4.477 1.00 0.00 H new ATOM 0 HG SER A 30 11.363 2.267 2.461 1.00 0.00 H new ATOM 489 N SER A 31 8.232 1.978 6.474 1.00 0.00 N ATOM 490 CA SER A 31 7.174 2.458 7.350 1.00 0.00 C ATOM 491 C SER A 31 6.407 3.602 6.696 1.00 0.00 C ATOM 492 O SER A 31 5.208 3.754 6.911 1.00 0.00 O ATOM 493 CB SER A 31 7.773 2.909 8.683 1.00 0.00 C ATOM 494 OG SER A 31 8.547 1.870 9.263 1.00 0.00 O ATOM 0 H SER A 31 9.171 2.071 6.861 1.00 0.00 H new ATOM 0 HA SER A 31 6.473 1.643 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.396 3.790 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.975 3.199 9.366 1.00 0.00 H new ATOM 0 HG SER A 31 8.923 2.178 10.114 1.00 0.00 H new ATOM 500 N THR A 32 7.105 4.393 5.888 1.00 0.00 N ATOM 501 CA THR A 32 6.483 5.493 5.165 1.00 0.00 C ATOM 502 C THR A 32 5.393 4.976 4.225 1.00 0.00 C ATOM 503 O THR A 32 4.261 5.464 4.242 1.00 0.00 O ATOM 504 CB THR A 32 7.533 6.284 4.359 1.00 0.00 C ATOM 505 OG1 THR A 32 8.670 6.555 5.193 1.00 0.00 O ATOM 506 CG2 THR A 32 6.951 7.593 3.844 1.00 0.00 C ATOM 0 H THR A 32 8.106 4.291 5.718 1.00 0.00 H new ATOM 0 HA THR A 32 6.030 6.159 5.900 1.00 0.00 H new ATOM 0 HB THR A 32 7.837 5.684 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.339 7.056 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.711 8.132 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.099 7.383 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.625 8.203 4.687 1.00 0.00 H new ATOM 514 N GLN A 33 5.731 3.963 3.430 1.00 0.00 N ATOM 515 CA GLN A 33 4.776 3.374 2.501 1.00 0.00 C ATOM 516 C GLN A 33 3.631 2.725 3.263 1.00 0.00 C ATOM 517 O GLN A 33 2.462 2.974 2.973 1.00 0.00 O ATOM 518 CB GLN A 33 5.454 2.333 1.609 1.00 0.00 C ATOM 519 CG GLN A 33 6.575 2.899 0.753 1.00 0.00 C ATOM 520 CD GLN A 33 7.163 1.872 -0.197 1.00 0.00 C ATOM 521 OE1 GLN A 33 6.341 0.935 -0.647 1.00 0.00 O flip ATOM 522 NE2 GLN A 33 8.345 1.920 -0.528 1.00 0.00 N flip ATOM 0 H GLN A 33 6.657 3.536 3.412 1.00 0.00 H new ATOM 0 HA GLN A 33 4.383 4.172 1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.854 1.536 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.705 1.881 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.196 3.744 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.363 3.282 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.948 2.656 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.724 1.224 -1.170 1.00 0.00 H new ATOM 531 N LEU A 34 3.982 1.905 4.249 1.00 0.00 N ATOM 532 CA LEU A 34 2.989 1.199 5.059 1.00 0.00 C ATOM 533 C LEU A 34 2.002 2.164 5.712 1.00 0.00 C ATOM 534 O LEU A 34 0.796 1.928 5.690 1.00 0.00 O ATOM 535 CB LEU A 34 3.676 0.353 6.133 1.00 0.00 C ATOM 536 CG LEU A 34 4.497 -0.823 5.603 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.192 -1.544 6.747 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.609 -1.783 4.820 1.00 0.00 C ATOM 0 H LEU A 34 4.949 1.711 4.509 1.00 0.00 H new ATOM 0 HA LEU A 34 2.429 0.546 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.330 0.998 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.916 -0.031 6.813 1.00 0.00 H new ATOM 0 HG LEU A 34 5.261 -0.437 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.772 -2.378 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.857 -0.852 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.446 -1.920 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.209 -2.614 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.823 -2.165 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.159 -1.257 3.978 1.00 0.00 H new ATOM 550 N CYS A 35 2.516 3.254 6.274 1.00 0.00 N ATOM 551 CA CYS A 35 1.680 4.223 6.979 1.00 0.00 C ATOM 552 C CYS A 35 0.626 4.823 6.052 1.00 0.00 C ATOM 553 O CYS A 35 -0.558 4.867 6.393 1.00 0.00 O ATOM 554 CB CYS A 35 2.547 5.336 7.575 1.00 0.00 C ATOM 555 SG CYS A 35 1.619 6.616 8.452 1.00 0.00 S ATOM 0 H CYS A 35 3.508 3.489 6.255 1.00 0.00 H new ATOM 0 HA CYS A 35 1.165 3.698 7.784 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.267 4.891 8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.119 5.803 6.773 1.00 0.00 H new ATOM 0 HG CYS A 35 2.443 7.507 8.918 1.00 0.00 H new ATOM 561 N VAL A 36 1.055 5.268 4.877 1.00 0.00 N ATOM 562 CA VAL A 36 0.147 5.910 3.932 1.00 0.00 C ATOM 563 C VAL A 36 -0.856 4.904 3.368 1.00 0.00 C ATOM 564 O VAL A 36 -2.037 5.222 3.196 1.00 0.00 O ATOM 565 CB VAL A 36 0.912 6.587 2.773 1.00 0.00 C ATOM 566 CG1 VAL A 36 -0.048 7.346 1.871 1.00 0.00 C ATOM 567 CG2 VAL A 36 1.986 7.521 3.310 1.00 0.00 C ATOM 0 H VAL A 36 2.021 5.197 4.556 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.392 6.681 4.483 1.00 0.00 H new ATOM 0 HB VAL A 36 1.397 5.808 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.509 7.816 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.780 6.654 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.562 8.113 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.512 7.987 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.523 8.293 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.693 6.953 3.914 1.00 0.00 H new ATOM 577 N LEU A 37 -0.384 3.693 3.091 1.00 0.00 N ATOM 578 CA LEU A 37 -1.254 2.630 2.602 1.00 0.00 C ATOM 579 C LEU A 37 -2.305 2.281 3.650 1.00 0.00 C ATOM 580 O LEU A 37 -3.478 2.098 3.331 1.00 0.00 O ATOM 581 CB LEU A 37 -0.440 1.382 2.243 1.00 0.00 C ATOM 582 CG LEU A 37 0.519 1.540 1.060 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.325 0.265 0.856 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.253 1.890 -0.202 1.00 0.00 C ATOM 0 H LEU A 37 0.594 3.424 3.197 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.754 2.988 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.136 1.081 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.132 0.569 2.022 1.00 0.00 H new ATOM 0 HG LEU A 37 1.211 2.353 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.002 0.394 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.903 0.052 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.648 -0.565 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.442 1.999 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.965 1.095 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.790 2.827 -0.052 1.00 0.00 H new ATOM 596 N ASN A 38 -1.873 2.221 4.904 1.00 0.00 N ATOM 597 CA ASN A 38 -2.760 1.891 6.009 1.00 0.00 C ATOM 598 C ASN A 38 -3.823 2.965 6.159 1.00 0.00 C ATOM 599 O ASN A 38 -5.011 2.661 6.239 1.00 0.00 O ATOM 600 CB ASN A 38 -1.960 1.757 7.309 1.00 0.00 C ATOM 601 CG ASN A 38 -2.816 1.365 8.501 1.00 0.00 C ATOM 602 OD1 ASN A 38 -2.590 1.832 9.614 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.782 0.483 8.288 1.00 0.00 N ATOM 0 H ASN A 38 -0.907 2.398 5.180 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.246 0.938 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.177 1.011 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.464 2.704 7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.367 0.170 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.940 0.117 7.349 1.00 0.00 H new ATOM 610 N ASP A 39 -3.383 4.218 6.167 1.00 0.00 N ATOM 611 CA ASP A 39 -4.288 5.355 6.303 1.00 0.00 C ATOM 612 C ASP A 39 -5.361 5.338 5.221 1.00 0.00 C ATOM 613 O ASP A 39 -6.555 5.367 5.517 1.00 0.00 O ATOM 614 CB ASP A 39 -3.509 6.676 6.246 1.00 0.00 C ATOM 615 CG ASP A 39 -4.417 7.877 6.046 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.976 8.386 7.033 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.572 8.320 4.890 1.00 0.00 O ATOM 0 H ASP A 39 -2.399 4.474 6.080 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.777 5.273 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.944 6.801 7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.785 6.632 5.433 1.00 0.00 H new ATOM 622 N ARG A 40 -4.926 5.248 3.973 1.00 0.00 N ATOM 623 CA ARG A 40 -5.832 5.322 2.835 1.00 0.00 C ATOM 624 C ARG A 40 -6.822 4.162 2.832 1.00 0.00 C ATOM 625 O ARG A 40 -8.010 4.361 2.595 1.00 0.00 O ATOM 626 CB ARG A 40 -5.040 5.355 1.526 1.00 0.00 C ATOM 627 CG ARG A 40 -4.908 6.749 0.917 1.00 0.00 C ATOM 628 CD ARG A 40 -4.254 7.743 1.867 1.00 0.00 C ATOM 629 NE ARG A 40 -4.059 9.053 1.236 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.006 10.211 1.905 1.00 0.00 C ATOM 631 NH1 ARG A 40 -4.140 10.234 3.226 1.00 0.00 N ATOM 632 NH2 ARG A 40 -3.819 11.355 1.248 1.00 0.00 N ATOM 0 H ARG A 40 -3.946 5.123 3.721 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.405 6.245 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.043 4.952 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.524 4.698 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.321 6.687 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.896 7.115 0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.873 7.857 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.292 7.351 2.197 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.957 9.083 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.285 9.364 3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.098 11.121 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.716 11.349 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.779 12.236 1.760 1.00 0.00 H new ATOM 646 N PHE A 41 -6.338 2.959 3.119 1.00 0.00 N ATOM 647 CA PHE A 41 -7.190 1.773 3.122 1.00 0.00 C ATOM 648 C PHE A 41 -8.111 1.729 4.340 1.00 0.00 C ATOM 649 O PHE A 41 -9.116 1.016 4.339 1.00 0.00 O ATOM 650 CB PHE A 41 -6.352 0.499 3.036 1.00 0.00 C ATOM 651 CG PHE A 41 -5.859 0.239 1.647 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.717 0.390 0.576 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.552 -0.149 1.406 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.290 0.162 -0.708 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.115 -0.381 0.117 1.00 0.00 C ATOM 656 CZ PHE A 41 -4.985 -0.224 -0.944 1.00 0.00 C ATOM 0 H PHE A 41 -5.362 2.778 3.352 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.824 1.834 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.501 0.580 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.948 -0.349 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.739 0.692 0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.869 -0.271 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.975 0.284 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.094 -0.685 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.646 -0.402 -1.954 1.00 0.00 H new ATOM 666 N GLN A 42 -7.764 2.461 5.391 1.00 0.00 N ATOM 667 CA GLN A 42 -8.610 2.505 6.581 1.00 0.00 C ATOM 668 C GLN A 42 -9.666 3.604 6.484 1.00 0.00 C ATOM 669 O GLN A 42 -10.704 3.532 7.140 1.00 0.00 O ATOM 670 CB GLN A 42 -7.767 2.693 7.844 1.00 0.00 C ATOM 671 CG GLN A 42 -6.979 1.450 8.228 1.00 0.00 C ATOM 672 CD GLN A 42 -7.871 0.292 8.628 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.306 -0.497 7.790 1.00 0.00 O ATOM 674 NE2 GLN A 42 -8.135 0.167 9.917 1.00 0.00 N ATOM 0 H GLN A 42 -6.916 3.025 5.446 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.127 1.547 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.075 3.521 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.420 2.971 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.353 1.148 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.310 1.690 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.757 0.841 10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.717 -0.603 10.246 1.00 0.00 H new ATOM 683 N ARG A 43 -9.405 4.618 5.667 1.00 0.00 N ATOM 684 CA ARG A 43 -10.346 5.726 5.517 1.00 0.00 C ATOM 685 C ARG A 43 -11.205 5.555 4.264 1.00 0.00 C ATOM 686 O ARG A 43 -12.334 6.047 4.197 1.00 0.00 O ATOM 687 CB ARG A 43 -9.595 7.062 5.480 1.00 0.00 C ATOM 688 CG ARG A 43 -8.671 7.216 4.286 1.00 0.00 C ATOM 689 CD ARG A 43 -7.643 8.311 4.513 1.00 0.00 C ATOM 690 NE ARG A 43 -8.254 9.628 4.690 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.662 10.644 5.317 1.00 0.00 C ATOM 692 NH1 ARG A 43 -6.492 10.471 5.926 1.00 0.00 N ATOM 693 NH2 ARG A 43 -8.266 11.825 5.357 1.00 0.00 N ATOM 0 H ARG A 43 -8.559 4.698 5.103 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.012 5.724 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.321 7.875 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.011 7.165 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.161 6.272 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.259 7.446 3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.048 8.069 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.958 8.343 3.665 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.189 9.778 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.042 9.556 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.045 11.254 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.175 11.948 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.822 12.609 5.834 1.00 0.00 H new ATOM 707 N GLN A 44 -10.658 4.863 3.271 1.00 0.00 N ATOM 708 CA GLN A 44 -11.379 4.557 2.040 1.00 0.00 C ATOM 709 C GLN A 44 -11.155 3.093 1.685 1.00 0.00 C ATOM 710 O GLN A 44 -10.193 2.490 2.148 1.00 0.00 O ATOM 711 CB GLN A 44 -10.907 5.458 0.889 1.00 0.00 C ATOM 712 CG GLN A 44 -11.115 6.944 1.145 1.00 0.00 C ATOM 713 CD GLN A 44 -10.698 7.817 -0.024 1.00 0.00 C ATOM 714 OE1 GLN A 44 -9.797 7.475 -0.790 1.00 0.00 O ATOM 715 NE2 GLN A 44 -11.354 8.959 -0.167 1.00 0.00 N ATOM 0 H GLN A 44 -9.705 4.499 3.296 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.442 4.742 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.848 5.275 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.439 5.178 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.167 7.124 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.548 7.237 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.095 9.207 0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.118 9.590 -0.933 1.00 0.00 H new ATOM 724 N LYS A 45 -12.043 2.516 0.887 1.00 0.00 N ATOM 725 CA LYS A 45 -11.924 1.106 0.532 1.00 0.00 C ATOM 726 C LYS A 45 -10.744 0.863 -0.397 1.00 0.00 C ATOM 727 O LYS A 45 -9.895 0.016 -0.119 1.00 0.00 O ATOM 728 CB LYS A 45 -13.209 0.613 -0.132 1.00 0.00 C ATOM 729 CG LYS A 45 -14.412 0.603 0.792 1.00 0.00 C ATOM 730 CD LYS A 45 -15.641 0.062 0.085 1.00 0.00 C ATOM 731 CE LYS A 45 -16.807 -0.130 1.043 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.299 1.158 1.593 1.00 0.00 N ATOM 0 H LYS A 45 -12.845 2.994 0.477 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.755 0.549 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.428 1.246 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.046 -0.396 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.195 -0.007 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.609 1.614 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.934 0.747 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.399 -0.890 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.621 -0.636 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.498 -0.779 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.115 0.981 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.541 1.615 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.587 1.782 0.812 1.00 0.00 H new ATOM 746 N TYR A 46 -10.689 1.615 -1.490 1.00 0.00 N ATOM 747 CA TYR A 46 -9.638 1.453 -2.488 1.00 0.00 C ATOM 748 C TYR A 46 -9.356 2.787 -3.167 1.00 0.00 C ATOM 749 O TYR A 46 -10.147 3.724 -3.060 1.00 0.00 O ATOM 750 CB TYR A 46 -10.033 0.412 -3.545 1.00 0.00 C ATOM 751 CG TYR A 46 -10.104 -1.012 -3.028 1.00 0.00 C ATOM 752 CD1 TYR A 46 -8.949 -1.707 -2.694 1.00 0.00 C ATOM 753 CD2 TYR A 46 -11.325 -1.659 -2.878 1.00 0.00 C ATOM 754 CE1 TYR A 46 -9.007 -3.004 -2.221 1.00 0.00 C ATOM 755 CE2 TYR A 46 -11.391 -2.957 -2.404 1.00 0.00 C ATOM 756 CZ TYR A 46 -10.228 -3.625 -2.080 1.00 0.00 C ATOM 757 OH TYR A 46 -10.283 -4.919 -1.611 1.00 0.00 O ATOM 0 H TYR A 46 -11.364 2.347 -1.709 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.740 1.103 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.004 0.684 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.314 0.453 -4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.989 -1.225 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.237 -1.140 -3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.099 -3.528 -1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.348 -3.445 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.528 -5.080 -1.007 1.00 0.00 H new ATOM 767 N LEU A 47 -8.234 2.863 -3.870 1.00 0.00 N ATOM 768 CA LEU A 47 -7.844 4.086 -4.560 1.00 0.00 C ATOM 769 C LEU A 47 -8.238 4.021 -6.031 1.00 0.00 C ATOM 770 O LEU A 47 -8.273 2.945 -6.626 1.00 0.00 O ATOM 771 CB LEU A 47 -6.331 4.334 -4.436 1.00 0.00 C ATOM 772 CG LEU A 47 -5.822 4.741 -3.042 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.658 5.879 -2.478 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.809 3.555 -2.092 1.00 0.00 C ATOM 0 H LEU A 47 -7.576 2.091 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.370 4.915 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.809 3.427 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.052 5.115 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.795 5.090 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.282 6.152 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.595 6.741 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.697 5.561 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.445 3.875 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.819 3.159 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.154 2.779 -2.488 1.00 0.00 H new ATOM 786 N SER A 48 -8.540 5.175 -6.609 1.00 0.00 N ATOM 787 CA SER A 48 -8.909 5.252 -8.004 1.00 0.00 C ATOM 788 C SER A 48 -7.664 5.407 -8.867 1.00 0.00 C ATOM 789 O SER A 48 -6.551 5.523 -8.349 1.00 0.00 O ATOM 790 CB SER A 48 -9.864 6.428 -8.217 1.00 0.00 C ATOM 791 OG SER A 48 -9.323 7.623 -7.677 1.00 0.00 O ATOM 0 H SER A 48 -8.535 6.073 -6.125 1.00 0.00 H new ATOM 0 HA SER A 48 -9.414 4.332 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.054 6.559 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.823 6.213 -7.746 1.00 0.00 H new ATOM 0 HG SER A 48 -9.949 8.362 -7.826 1.00 0.00 H new ATOM 797 N LEU A 49 -7.860 5.435 -10.176 1.00 0.00 N ATOM 798 CA LEU A 49 -6.764 5.535 -11.122 1.00 0.00 C ATOM 799 C LEU A 49 -6.002 6.843 -10.945 1.00 0.00 C ATOM 800 O LEU A 49 -4.788 6.901 -11.143 1.00 0.00 O ATOM 801 CB LEU A 49 -7.300 5.421 -12.549 1.00 0.00 C ATOM 802 CG LEU A 49 -7.530 3.994 -13.061 1.00 0.00 C ATOM 803 CD1 LEU A 49 -8.677 3.317 -12.322 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.792 4.009 -14.559 1.00 0.00 C ATOM 0 H LEU A 49 -8.782 5.389 -10.610 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.070 4.716 -10.932 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.243 5.965 -12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.602 5.920 -13.221 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.626 3.416 -12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.814 2.307 -12.709 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.446 3.270 -11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.593 3.889 -12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.954 2.990 -14.910 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.677 4.610 -14.768 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.933 4.438 -15.074 1.00 0.00 H new ATOM 816 N GLN A 50 -6.719 7.886 -10.552 1.00 0.00 N ATOM 817 CA GLN A 50 -6.105 9.182 -10.316 1.00 0.00 C ATOM 818 C GLN A 50 -5.325 9.165 -9.005 1.00 0.00 C ATOM 819 O GLN A 50 -4.229 9.711 -8.915 1.00 0.00 O ATOM 820 CB GLN A 50 -7.177 10.279 -10.284 1.00 0.00 C ATOM 821 CG GLN A 50 -6.619 11.694 -10.170 1.00 0.00 C ATOM 822 CD GLN A 50 -5.877 12.149 -11.417 1.00 0.00 C ATOM 823 OE1 GLN A 50 -5.289 11.346 -12.139 1.00 0.00 O ATOM 824 NE2 GLN A 50 -5.909 13.443 -11.683 1.00 0.00 N ATOM 0 H GLN A 50 -7.726 7.859 -10.390 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.413 9.395 -11.131 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.779 10.210 -11.190 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.845 10.095 -9.442 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.438 12.385 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.944 11.744 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.407 14.079 -11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.436 13.805 -12.511 1.00 0.00 H new ATOM 833 N GLN A 51 -5.882 8.506 -7.997 1.00 0.00 N ATOM 834 CA GLN A 51 -5.282 8.500 -6.677 1.00 0.00 C ATOM 835 C GLN A 51 -4.058 7.589 -6.609 1.00 0.00 C ATOM 836 O GLN A 51 -3.119 7.872 -5.875 1.00 0.00 O ATOM 837 CB GLN A 51 -6.305 8.101 -5.620 1.00 0.00 C ATOM 838 CG GLN A 51 -7.417 9.118 -5.459 1.00 0.00 C ATOM 839 CD GLN A 51 -7.922 9.208 -4.034 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.419 10.007 -3.246 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.912 8.397 -3.692 1.00 0.00 N ATOM 0 H GLN A 51 -6.747 7.971 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.945 9.516 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.738 7.137 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.799 7.970 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.058 10.097 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.244 8.854 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.300 7.749 -4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.286 8.420 -2.743 1.00 0.00 H new ATOM 850 N MET A 52 -4.064 6.499 -7.369 1.00 0.00 N ATOM 851 CA MET A 52 -2.936 5.569 -7.362 1.00 0.00 C ATOM 852 C MET A 52 -1.681 6.203 -7.969 1.00 0.00 C ATOM 853 O MET A 52 -0.579 6.000 -7.461 1.00 0.00 O ATOM 854 CB MET A 52 -3.292 4.253 -8.069 1.00 0.00 C ATOM 855 CG MET A 52 -3.803 4.414 -9.487 1.00 0.00 C ATOM 856 SD MET A 52 -4.298 2.848 -10.236 1.00 0.00 S ATOM 857 CE MET A 52 -5.545 2.292 -9.074 1.00 0.00 C ATOM 0 H MET A 52 -4.828 6.238 -7.992 1.00 0.00 H new ATOM 0 HA MET A 52 -2.714 5.336 -6.321 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.408 3.615 -8.086 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.049 3.734 -7.481 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.653 5.096 -9.486 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.026 4.874 -10.098 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.360 1.813 -9.617 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.102 1.578 -8.379 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.932 3.147 -8.519 1.00 0.00 H new ATOM 867 N GLN A 53 -1.838 6.985 -9.035 1.00 0.00 N ATOM 868 CA GLN A 53 -0.688 7.656 -9.634 1.00 0.00 C ATOM 869 C GLN A 53 -0.239 8.825 -8.763 1.00 0.00 C ATOM 870 O GLN A 53 0.953 9.132 -8.670 1.00 0.00 O ATOM 871 CB GLN A 53 -0.984 8.130 -11.061 1.00 0.00 C ATOM 872 CG GLN A 53 -1.956 9.298 -11.160 1.00 0.00 C ATOM 873 CD GLN A 53 -2.136 9.781 -12.586 1.00 0.00 C ATOM 874 OE1 GLN A 53 -2.035 8.868 -13.540 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -2.364 10.964 -12.828 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.731 7.167 -9.494 1.00 0.00 H new ATOM 0 HA GLN A 53 0.122 6.929 -9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.045 8.416 -11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.386 7.292 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.923 8.998 -10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.595 10.121 -10.543 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.434 11.636 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.483 11.274 -13.793 1.00 0.00 H new ATOM 884 N GLU A 54 -1.199 9.465 -8.115 1.00 0.00 N ATOM 885 CA GLU A 54 -0.911 10.552 -7.198 1.00 0.00 C ATOM 886 C GLU A 54 -0.159 10.009 -5.983 1.00 0.00 C ATOM 887 O GLU A 54 0.754 10.649 -5.462 1.00 0.00 O ATOM 888 CB GLU A 54 -2.219 11.229 -6.777 1.00 0.00 C ATOM 889 CG GLU A 54 -2.031 12.483 -5.942 1.00 0.00 C ATOM 890 CD GLU A 54 -3.346 13.152 -5.584 1.00 0.00 C ATOM 891 OE1 GLU A 54 -4.082 12.609 -4.731 1.00 0.00 O ATOM 892 OE2 GLU A 54 -3.648 14.224 -6.146 1.00 0.00 O ATOM 0 H GLU A 54 -2.191 9.247 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.282 11.295 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.787 11.484 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.818 10.516 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.497 12.228 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.406 13.189 -6.490 1.00 0.00 H new ATOM 899 N LEU A 55 -0.538 8.805 -5.563 1.00 0.00 N ATOM 900 CA LEU A 55 0.097 8.140 -4.431 1.00 0.00 C ATOM 901 C LEU A 55 1.522 7.727 -4.771 1.00 0.00 C ATOM 902 O LEU A 55 2.444 7.938 -3.978 1.00 0.00 O ATOM 903 CB LEU A 55 -0.718 6.914 -4.000 1.00 0.00 C ATOM 904 CG LEU A 55 -0.188 6.176 -2.769 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.177 7.100 -1.562 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.027 4.937 -2.490 1.00 0.00 C ATOM 0 H LEU A 55 -1.289 8.267 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 55 0.132 8.848 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.742 7.231 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.758 6.213 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 55 0.836 5.858 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.203 6.561 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.465 7.957 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.191 7.446 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.637 4.424 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.061 5.231 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.985 4.268 -3.350 1.00 0.00 H new ATOM 918 N SER A 56 1.702 7.147 -5.954 1.00 0.00 N ATOM 919 CA SER A 56 3.026 6.725 -6.404 1.00 0.00 C ATOM 920 C SER A 56 3.978 7.916 -6.476 1.00 0.00 C ATOM 921 O SER A 56 5.181 7.774 -6.263 1.00 0.00 O ATOM 922 CB SER A 56 2.942 6.024 -7.764 1.00 0.00 C ATOM 923 OG SER A 56 2.150 6.748 -8.688 1.00 0.00 O ATOM 0 H SER A 56 0.950 6.959 -6.617 1.00 0.00 H new ATOM 0 HA SER A 56 3.418 6.015 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.946 5.897 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.523 5.026 -7.632 1.00 0.00 H new ATOM 0 HG SER A 56 1.974 7.645 -8.336 1.00 0.00 H new ATOM 929 N ASN A 57 3.423 9.096 -6.749 1.00 0.00 N ATOM 930 CA ASN A 57 4.212 10.319 -6.849 1.00 0.00 C ATOM 931 C ASN A 57 4.790 10.704 -5.487 1.00 0.00 C ATOM 932 O ASN A 57 5.895 11.234 -5.403 1.00 0.00 O ATOM 933 CB ASN A 57 3.345 11.457 -7.402 1.00 0.00 C ATOM 934 CG ASN A 57 4.132 12.728 -7.674 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.699 12.900 -8.754 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.152 13.638 -6.711 1.00 0.00 N ATOM 0 H ASN A 57 2.424 9.229 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 57 5.043 10.142 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.869 11.127 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.547 11.676 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.649 14.518 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.670 13.459 -5.830 1.00 0.00 H new ATOM 943 N ILE A 58 4.043 10.420 -4.423 1.00 0.00 N ATOM 944 CA ILE A 58 4.483 10.739 -3.069 1.00 0.00 C ATOM 945 C ILE A 58 5.625 9.826 -2.648 1.00 0.00 C ATOM 946 O ILE A 58 6.639 10.274 -2.116 1.00 0.00 O ATOM 947 CB ILE A 58 3.345 10.564 -2.041 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.050 11.190 -2.551 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.744 11.178 -0.704 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.875 10.978 -1.621 1.00 0.00 C ATOM 0 H ILE A 58 3.129 9.969 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 58 4.805 11.780 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 58 3.172 9.497 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.203 12.260 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.812 10.769 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.933 11.048 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.641 10.684 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.944 12.241 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.013 11.448 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.696 9.910 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.094 11.423 -0.651 1.00 0.00 H new ATOM 962 N LEU A 59 5.449 8.540 -2.903 1.00 0.00 N ATOM 963 CA LEU A 59 6.388 7.533 -2.436 1.00 0.00 C ATOM 964 C LEU A 59 7.570 7.378 -3.387 1.00 0.00 C ATOM 965 O LEU A 59 8.458 6.557 -3.147 1.00 0.00 O ATOM 966 CB LEU A 59 5.673 6.189 -2.258 1.00 0.00 C ATOM 967 CG LEU A 59 4.530 6.189 -1.241 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.854 4.827 -1.194 1.00 0.00 C ATOM 969 CD2 LEU A 59 5.040 6.575 0.138 1.00 0.00 C ATOM 0 H LEU A 59 4.661 8.167 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 59 6.779 7.865 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.278 5.875 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.407 5.442 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 59 3.794 6.929 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.044 4.848 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.451 4.587 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.582 4.069 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.212 6.569 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.798 5.860 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.477 7.573 0.098 1.00 0.00 H new ATOM 981 N ASN A 60 7.581 8.184 -4.447 1.00 0.00 N ATOM 982 CA ASN A 60 8.632 8.131 -5.465 1.00 0.00 C ATOM 983 C ASN A 60 8.670 6.737 -6.098 1.00 0.00 C ATOM 984 O ASN A 60 9.732 6.177 -6.375 1.00 0.00 O ATOM 985 CB ASN A 60 9.994 8.500 -4.852 1.00 0.00 C ATOM 986 CG ASN A 60 11.087 8.709 -5.888 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.733 9.241 -7.050 1.00 0.00 O flip ATOM 988 ND2 ASN A 60 12.253 8.398 -5.640 1.00 0.00 N flip ATOM 0 H ASN A 60 6.866 8.889 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 60 8.411 8.859 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.884 9.410 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.301 7.711 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.491 7.991 -4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.980 8.548 -6.339 1.00 0.00 H new ATOM 995 N LEU A 61 7.487 6.189 -6.332 1.00 0.00 N ATOM 996 CA LEU A 61 7.349 4.864 -6.914 1.00 0.00 C ATOM 997 C LEU A 61 6.602 4.947 -8.235 1.00 0.00 C ATOM 998 O LEU A 61 6.245 6.033 -8.692 1.00 0.00 O ATOM 999 CB LEU A 61 6.610 3.928 -5.952 1.00 0.00 C ATOM 1000 CG LEU A 61 7.326 3.651 -4.627 1.00 0.00 C ATOM 1001 CD1 LEU A 61 6.473 2.758 -3.740 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.687 3.013 -4.877 1.00 0.00 C ATOM 0 H LEU A 61 6.600 6.648 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 61 8.346 4.461 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.632 4.357 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.436 2.978 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 61 7.482 4.600 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.996 2.570 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.523 3.251 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.288 1.811 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.181 2.824 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.555 2.072 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.300 3.687 -5.476 1.00 0.00 H new ATOM 1014 N SER A 62 6.365 3.803 -8.838 1.00 0.00 N ATOM 1015 CA SER A 62 5.699 3.747 -10.122 1.00 0.00 C ATOM 1016 C SER A 62 4.196 3.554 -9.946 1.00 0.00 C ATOM 1017 O SER A 62 3.746 2.894 -9.006 1.00 0.00 O ATOM 1018 CB SER A 62 6.295 2.615 -10.959 1.00 0.00 C ATOM 1019 OG SER A 62 5.562 2.408 -12.158 1.00 0.00 O ATOM 0 H SER A 62 6.625 2.893 -8.457 1.00 0.00 H new ATOM 0 HA SER A 62 5.853 4.693 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.332 2.848 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.304 1.695 -10.374 1.00 0.00 H new ATOM 0 HG SER A 62 5.971 1.679 -12.670 1.00 0.00 H new ATOM 1025 N TYR A 63 3.440 4.143 -10.864 1.00 0.00 N ATOM 1026 CA TYR A 63 1.987 4.006 -10.912 1.00 0.00 C ATOM 1027 C TYR A 63 1.606 2.540 -11.005 1.00 0.00 C ATOM 1028 O TYR A 63 0.647 2.090 -10.387 1.00 0.00 O ATOM 1029 CB TYR A 63 1.447 4.780 -12.127 1.00 0.00 C ATOM 1030 CG TYR A 63 0.058 4.371 -12.585 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.076 4.944 -12.032 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.111 3.411 -13.577 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.339 4.578 -12.454 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.372 3.040 -14.005 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.485 3.625 -13.437 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.748 3.265 -13.857 1.00 0.00 O ATOM 0 H TYR A 63 3.820 4.735 -11.603 1.00 0.00 H new ATOM 0 HA TYR A 63 1.550 4.417 -10.002 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.435 5.843 -11.885 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.140 4.650 -12.958 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.970 5.690 -11.258 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.758 2.947 -14.021 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.211 5.039 -12.014 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.485 2.296 -14.780 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.715 2.993 -14.798 1.00 0.00 H new ATOM 1046 N LYS A 64 2.393 1.803 -11.766 1.00 0.00 N ATOM 1047 CA LYS A 64 2.146 0.401 -12.010 1.00 0.00 C ATOM 1048 C LYS A 64 2.439 -0.410 -10.762 1.00 0.00 C ATOM 1049 O LYS A 64 1.794 -1.421 -10.500 1.00 0.00 O ATOM 1050 CB LYS A 64 3.016 -0.053 -13.174 1.00 0.00 C ATOM 1051 CG LYS A 64 2.738 0.726 -14.447 1.00 0.00 C ATOM 1052 CD LYS A 64 3.922 0.701 -15.394 1.00 0.00 C ATOM 1053 CE LYS A 64 3.667 1.576 -16.610 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.878 1.711 -17.458 1.00 0.00 N ATOM 0 H LYS A 64 3.225 2.165 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 64 1.097 0.247 -12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.066 0.061 -12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.847 -1.114 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.865 0.306 -14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.496 1.759 -14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.815 1.047 -14.874 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.115 -0.323 -15.713 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.856 1.150 -17.200 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.340 2.563 -16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.663 2.315 -18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.645 2.141 -16.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.176 0.771 -17.790 1.00 0.00 H new ATOM 1068 N GLN A 65 3.408 0.055 -9.985 1.00 0.00 N ATOM 1069 CA GLN A 65 3.748 -0.586 -8.727 1.00 0.00 C ATOM 1070 C GLN A 65 2.597 -0.406 -7.746 1.00 0.00 C ATOM 1071 O GLN A 65 2.151 -1.368 -7.114 1.00 0.00 O ATOM 1072 CB GLN A 65 5.051 0.008 -8.170 1.00 0.00 C ATOM 1073 CG GLN A 65 5.727 -0.832 -7.088 1.00 0.00 C ATOM 1074 CD GLN A 65 5.037 -0.753 -5.738 1.00 0.00 C ATOM 1075 OE1 GLN A 65 4.439 0.263 -5.390 1.00 0.00 O ATOM 1076 NE2 GLN A 65 5.126 -1.823 -4.963 1.00 0.00 N ATOM 0 H GLN A 65 3.972 0.876 -10.206 1.00 0.00 H new ATOM 0 HA GLN A 65 3.908 -1.653 -8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.752 0.146 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.838 0.996 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.755 -1.872 -7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.761 -0.504 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.631 -2.647 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.689 -1.823 -4.041 1.00 0.00 H new ATOM 1085 N VAL A 66 2.086 0.822 -7.661 1.00 0.00 N ATOM 1086 CA VAL A 66 0.974 1.120 -6.762 1.00 0.00 C ATOM 1087 C VAL A 66 -0.294 0.400 -7.220 1.00 0.00 C ATOM 1088 O VAL A 66 -1.027 -0.186 -6.419 1.00 0.00 O ATOM 1089 CB VAL A 66 0.714 2.638 -6.666 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.521 2.927 -5.824 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.927 3.332 -6.071 1.00 0.00 C ATOM 0 H VAL A 66 2.422 1.620 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 66 1.249 0.761 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 66 0.537 3.022 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.682 4.004 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.390 2.451 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.376 2.533 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.738 4.403 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.120 2.936 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.795 3.155 -6.706 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.518 0.424 -8.527 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.691 -0.192 -9.132 1.00 0.00 C ATOM 1103 C LYS A 67 -1.716 -1.697 -8.881 1.00 0.00 C ATOM 1104 O LYS A 67 -2.753 -2.264 -8.541 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.689 0.081 -10.635 1.00 0.00 C ATOM 1106 CG LYS A 67 -2.957 -0.338 -11.353 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.816 -0.148 -12.853 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.152 -0.264 -13.559 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.076 0.841 -13.190 1.00 0.00 N ATOM 0 H LYS A 67 0.108 0.871 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.582 0.241 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.530 1.147 -10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.843 -0.439 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.176 -1.383 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.799 0.248 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.380 0.830 -13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.128 -0.893 -13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.994 -0.259 -14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.612 -1.220 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.915 0.812 -13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.369 0.732 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.591 1.753 -13.309 1.00 0.00 H new ATOM 1123 N THR A 68 -0.564 -2.329 -9.036 1.00 0.00 N ATOM 1124 CA THR A 68 -0.455 -3.773 -8.881 1.00 0.00 C ATOM 1125 C THR A 68 -0.749 -4.198 -7.440 1.00 0.00 C ATOM 1126 O THR A 68 -1.423 -5.205 -7.208 1.00 0.00 O ATOM 1127 CB THR A 68 0.941 -4.275 -9.306 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.170 -3.958 -10.685 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.082 -5.777 -9.107 1.00 0.00 C ATOM 0 H THR A 68 0.313 -1.864 -9.270 1.00 0.00 H new ATOM 0 HA THR A 68 -1.200 -4.227 -9.535 1.00 0.00 H new ATOM 0 HB THR A 68 1.679 -3.777 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.509 -3.041 -10.758 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.078 -6.093 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.936 -6.020 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.334 -6.295 -9.707 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.266 -3.424 -6.475 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.494 -3.737 -5.072 1.00 0.00 C ATOM 1139 C TRP A 69 -1.983 -3.613 -4.753 1.00 0.00 C ATOM 1140 O TRP A 69 -2.553 -4.437 -4.032 1.00 0.00 O ATOM 1141 CB TRP A 69 0.333 -2.810 -4.172 1.00 0.00 C ATOM 1142 CG TRP A 69 0.671 -3.429 -2.848 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.685 -4.308 -2.595 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.001 -3.223 -1.600 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.683 -4.663 -1.269 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.661 -4.010 -0.636 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.094 -2.452 -1.201 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 0.265 -4.046 0.699 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.485 -2.488 0.125 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -0.807 -3.281 1.060 1.00 0.00 C ATOM 0 H TRP A 69 0.283 -2.580 -6.638 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.177 -4.762 -4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.255 -2.540 -4.687 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.221 -1.886 -4.004 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.387 -4.671 -3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.337 -5.309 -0.827 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.624 -1.839 -1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.786 -4.656 1.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.328 -1.894 0.446 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.139 -3.287 2.088 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.606 -2.592 -5.335 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.046 -2.377 -5.216 1.00 0.00 C ATOM 1163 C PHE A 70 -4.833 -3.582 -5.738 1.00 0.00 C ATOM 1164 O PHE A 70 -5.778 -4.038 -5.097 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.441 -1.095 -5.974 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.824 -1.117 -6.566 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.947 -0.923 -5.776 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -5.995 -1.341 -7.924 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.213 -0.953 -6.332 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.255 -1.370 -8.483 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.366 -1.178 -7.688 1.00 0.00 C ATOM 0 H PHE A 70 -2.128 -1.891 -5.902 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.294 -2.259 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.366 -0.248 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.720 -0.925 -6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.832 -0.747 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.130 -1.495 -8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.081 -0.801 -5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.372 -1.543 -9.543 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.354 -1.203 -8.124 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.429 -4.100 -6.893 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.143 -5.212 -7.519 1.00 0.00 C ATOM 1183 C GLN A 71 -5.007 -6.494 -6.700 1.00 0.00 C ATOM 1184 O GLN A 71 -5.916 -7.322 -6.675 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.636 -5.436 -8.942 1.00 0.00 C ATOM 1186 CG GLN A 71 -4.860 -4.242 -9.858 1.00 0.00 C ATOM 1187 CD GLN A 71 -4.487 -4.534 -11.296 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -3.343 -4.341 -11.706 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -5.455 -4.988 -12.075 1.00 0.00 N ATOM 0 H GLN A 71 -3.616 -3.771 -7.414 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.200 -4.950 -7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.571 -5.664 -8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.135 -6.308 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.908 -3.944 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.272 -3.397 -9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.390 -5.134 -11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.266 -5.192 -13.056 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.882 -6.638 -6.017 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.644 -7.796 -5.162 1.00 0.00 C ATOM 1200 C ASN A 72 -4.475 -7.681 -3.899 1.00 0.00 C ATOM 1201 O ASN A 72 -5.059 -8.657 -3.442 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.154 -7.934 -4.815 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.352 -8.626 -5.909 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.177 -9.847 -5.895 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.856 -7.854 -6.862 1.00 0.00 N ATOM 0 H ASN A 72 -3.115 -5.966 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.942 -8.693 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.735 -6.944 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.053 -8.496 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.308 -8.265 -7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.021 -6.848 -6.841 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.549 -6.476 -3.357 1.00 0.00 N ATOM 1213 CA GLN A 73 -5.391 -6.212 -2.202 1.00 0.00 C ATOM 1214 C GLN A 73 -6.853 -6.480 -2.553 1.00 0.00 C ATOM 1215 O GLN A 73 -7.633 -6.955 -1.726 1.00 0.00 O ATOM 1216 CB GLN A 73 -5.210 -4.759 -1.751 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.891 -4.427 -0.435 1.00 0.00 C ATOM 1218 CD GLN A 73 -5.321 -5.206 0.733 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -4.146 -5.582 0.737 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.147 -5.447 1.738 1.00 0.00 N ATOM 0 H GLN A 73 -4.035 -5.664 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.100 -6.873 -1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.144 -4.549 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.600 -4.099 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.790 -3.360 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.957 -4.636 -0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.112 -5.118 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.819 -5.961 2.556 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.207 -6.178 -3.795 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.560 -6.385 -4.287 1.00 0.00 C ATOM 1231 C ARG A 74 -8.861 -7.870 -4.474 1.00 0.00 C ATOM 1232 O ARG A 74 -9.954 -8.331 -4.145 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.759 -5.632 -5.606 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.905 -4.625 -5.590 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.265 -5.282 -5.808 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.675 -6.151 -4.701 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.939 -6.492 -4.452 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.924 -5.987 -5.189 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.215 -7.319 -3.451 1.00 0.00 N ATOM 0 H ARG A 74 -6.567 -5.785 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.255 -5.995 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.835 -5.109 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.939 -6.356 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.908 -4.099 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.738 -3.877 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.017 -4.506 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.235 -5.867 -6.727 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.949 -6.517 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.713 -5.337 -5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.891 -6.249 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.461 -7.692 -2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.182 -7.582 -3.258 1.00 0.00 H new ATOM 1253 N MET A 75 -7.898 -8.627 -4.995 1.00 0.00 N ATOM 1254 CA MET A 75 -8.143 -10.045 -5.273 1.00 0.00 C ATOM 1255 C MET A 75 -8.194 -10.867 -3.982 1.00 0.00 C ATOM 1256 O MET A 75 -8.809 -11.936 -3.946 1.00 0.00 O ATOM 1257 CB MET A 75 -7.113 -10.613 -6.268 1.00 0.00 C ATOM 1258 CG MET A 75 -5.665 -10.574 -5.804 1.00 0.00 C ATOM 1259 SD MET A 75 -5.235 -11.917 -4.680 1.00 0.00 S ATOM 1260 CE MET A 75 -3.501 -11.576 -4.401 1.00 0.00 C ATOM 0 H MET A 75 -6.962 -8.296 -5.229 1.00 0.00 H new ATOM 0 HA MET A 75 -9.122 -10.121 -5.745 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.378 -11.647 -6.488 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.192 -10.058 -7.203 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.011 -10.616 -6.675 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.476 -9.622 -5.309 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.063 -12.380 -3.810 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.985 -11.506 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.397 -10.633 -3.864 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.582 -10.347 -2.920 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.616 -11.001 -1.609 1.00 0.00 C ATOM 1272 C LYS A 76 -9.046 -11.116 -1.091 1.00 0.00 C ATOM 1273 O LYS A 76 -9.449 -12.156 -0.566 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.783 -10.211 -0.593 1.00 0.00 C ATOM 1275 CG LYS A 76 -5.289 -10.244 -0.847 1.00 0.00 C ATOM 1276 CD LYS A 76 -4.687 -11.596 -0.507 1.00 0.00 C ATOM 1277 CE LYS A 76 -3.182 -11.601 -0.728 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.492 -10.550 0.071 1.00 0.00 N ATOM 0 H LYS A 76 -7.055 -9.474 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.198 -12.000 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.117 -9.173 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.978 -10.606 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.093 -10.012 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.803 -9.470 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.905 -11.843 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.150 -12.368 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.781 -12.579 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.971 -11.447 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.473 -10.754 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.643 -9.622 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.877 -10.539 1.037 1.00 0.00 H new ATOM 1292 N SER A 77 -9.809 -10.041 -1.246 1.00 0.00 N ATOM 1293 CA SER A 77 -11.155 -9.969 -0.698 1.00 0.00 C ATOM 1294 C SER A 77 -12.175 -10.666 -1.597 1.00 0.00 C ATOM 1295 O SER A 77 -13.263 -11.031 -1.148 1.00 0.00 O ATOM 1296 CB SER A 77 -11.542 -8.504 -0.482 1.00 0.00 C ATOM 1297 OG SER A 77 -11.216 -7.716 -1.617 1.00 0.00 O ATOM 0 H SER A 77 -9.515 -9.204 -1.750 1.00 0.00 H new ATOM 0 HA SER A 77 -11.160 -10.493 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.611 -8.433 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.026 -8.114 0.395 1.00 0.00 H new ATOM 0 HG SER A 77 -10.920 -6.828 -1.325 1.00 0.00 H new ATOM 1303 N LYS A 78 -11.827 -10.852 -2.864 1.00 0.00 N ATOM 1304 CA LYS A 78 -12.739 -11.483 -3.805 1.00 0.00 C ATOM 1305 C LYS A 78 -12.639 -13.004 -3.735 1.00 0.00 C ATOM 1306 O LYS A 78 -13.651 -13.703 -3.777 1.00 0.00 O ATOM 1307 CB LYS A 78 -12.466 -11.009 -5.238 1.00 0.00 C ATOM 1308 CG LYS A 78 -13.349 -11.701 -6.267 1.00 0.00 C ATOM 1309 CD LYS A 78 -13.133 -11.158 -7.668 1.00 0.00 C ATOM 1310 CE LYS A 78 -13.979 -11.909 -8.685 1.00 0.00 C ATOM 1311 NZ LYS A 78 -15.423 -11.914 -8.319 1.00 0.00 N ATOM 0 H LYS A 78 -10.928 -10.577 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.750 -11.188 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.624 -9.932 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.420 -11.191 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.143 -12.771 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.395 -11.576 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.385 -10.098 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.079 -11.241 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.856 -11.451 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.622 -12.936 -8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.987 -12.220 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.578 -12.570 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.713 -10.956 -8.037 1.00 0.00 H new ATOM 1325 N ARG A 79 -11.422 -13.516 -3.631 1.00 0.00 N ATOM 1326 CA ARG A 79 -11.216 -14.959 -3.638 1.00 0.00 C ATOM 1327 C ARG A 79 -10.345 -15.399 -2.471 1.00 0.00 C ATOM 1328 O ARG A 79 -10.847 -15.882 -1.455 1.00 0.00 O ATOM 1329 CB ARG A 79 -10.570 -15.386 -4.961 1.00 0.00 C ATOM 1330 CG ARG A 79 -11.490 -15.253 -6.163 1.00 0.00 C ATOM 1331 CD ARG A 79 -12.224 -16.555 -6.443 1.00 0.00 C ATOM 1332 NE ARG A 79 -11.328 -17.569 -7.000 1.00 0.00 N ATOM 1333 CZ ARG A 79 -11.739 -18.647 -7.667 1.00 0.00 C ATOM 1334 NH1 ARG A 79 -13.035 -18.925 -7.759 1.00 0.00 N ATOM 1335 NH2 ARG A 79 -10.848 -19.470 -8.207 1.00 0.00 N ATOM 0 H ARG A 79 -10.570 -12.962 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.188 -15.440 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.677 -14.784 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.244 -16.423 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.213 -14.457 -5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.908 -14.965 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.668 -16.929 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.042 -16.370 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.324 -17.443 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.721 -18.312 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.344 -19.751 -8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.851 -19.277 -8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.160 -20.296 -8.718 1.00 0.00 H new ATOM 1349 N TRP A 80 -9.050 -15.173 -2.612 1.00 0.00 N ATOM 1350 CA TRP A 80 -8.049 -15.640 -1.665 1.00 0.00 C ATOM 1351 C TRP A 80 -6.680 -15.295 -2.224 1.00 0.00 C ATOM 1352 O TRP A 80 -6.585 -14.441 -3.106 1.00 0.00 O ATOM 1353 CB TRP A 80 -8.176 -17.157 -1.398 1.00 0.00 C ATOM 1354 CG TRP A 80 -7.922 -18.050 -2.584 1.00 0.00 C ATOM 1355 CD1 TRP A 80 -8.449 -17.939 -3.839 1.00 0.00 C ATOM 1356 CD2 TRP A 80 -7.103 -19.223 -2.601 1.00 0.00 C ATOM 1357 NE1 TRP A 80 -7.993 -18.961 -4.634 1.00 0.00 N ATOM 1358 CE2 TRP A 80 -7.168 -19.762 -3.897 1.00 0.00 C ATOM 1359 CE3 TRP A 80 -6.316 -19.867 -1.645 1.00 0.00 C ATOM 1360 CZ2 TRP A 80 -6.477 -20.914 -4.260 1.00 0.00 C ATOM 1361 CZ3 TRP A 80 -5.630 -21.008 -2.005 1.00 0.00 C ATOM 1362 CH2 TRP A 80 -5.715 -21.524 -3.304 1.00 0.00 C ATOM 0 H TRP A 80 -8.658 -14.653 -3.397 1.00 0.00 H new ATOM 0 HA TRP A 80 -8.198 -15.148 -0.704 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -7.478 -17.428 -0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.179 -17.359 -1.022 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -9.126 -17.161 -4.159 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -8.232 -19.100 -5.616 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.245 -19.478 -0.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -6.541 -21.312 -5.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.017 -21.512 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.168 -22.421 -3.555 1.00 0.00 H new ATOM 1373 N GLN A 81 -5.630 -15.922 -1.708 1.00 0.00 N ATOM 1374 CA GLN A 81 -4.280 -15.666 -2.198 1.00 0.00 C ATOM 1375 C GLN A 81 -4.140 -16.036 -3.677 1.00 0.00 C ATOM 1376 O GLN A 81 -3.878 -17.194 -4.018 1.00 0.00 O ATOM 1377 CB GLN A 81 -3.241 -16.427 -1.372 1.00 0.00 C ATOM 1378 CG GLN A 81 -3.116 -15.931 0.056 1.00 0.00 C ATOM 1379 CD GLN A 81 -2.037 -16.662 0.828 1.00 0.00 C ATOM 1380 OE1 GLN A 81 -1.040 -17.112 0.257 1.00 0.00 O ATOM 1381 NE2 GLN A 81 -2.233 -16.791 2.128 1.00 0.00 N ATOM 0 H GLN A 81 -5.686 -16.608 -0.955 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.099 -14.596 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.504 -17.485 -1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.271 -16.346 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.895 -14.864 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.071 -16.055 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.072 -16.403 2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.545 -17.279 2.702 1.00 0.00 H new ATOM 1390 N LYS A 82 -4.359 -15.038 -4.537 1.00 0.00 N ATOM 1391 CA LYS A 82 -4.140 -15.151 -5.979 1.00 0.00 C ATOM 1392 C LYS A 82 -5.217 -16.011 -6.648 1.00 0.00 C ATOM 1393 O LYS A 82 -6.067 -16.600 -5.980 1.00 0.00 O ATOM 1394 CB LYS A 82 -2.733 -15.687 -6.263 1.00 0.00 C ATOM 1395 CG LYS A 82 -1.642 -14.814 -5.657 1.00 0.00 C ATOM 1396 CD LYS A 82 -0.277 -15.477 -5.705 1.00 0.00 C ATOM 1397 CE LYS A 82 0.751 -14.658 -4.941 1.00 0.00 C ATOM 1398 NZ LYS A 82 2.104 -15.263 -4.992 1.00 0.00 N ATOM 0 H LYS A 82 -4.697 -14.120 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.218 -14.154 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.646 -16.699 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.584 -15.753 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.601 -13.865 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.896 -14.586 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.339 -16.478 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.040 -15.591 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.790 -13.651 -5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.437 -14.563 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.770 -14.669 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.075 -16.214 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.417 -15.330 -5.981 1.00 0.00 H new ATOM 1412 N ASN A 83 -5.176 -16.076 -7.973 1.00 0.00 N ATOM 1413 CA ASN A 83 -6.216 -16.752 -8.745 1.00 0.00 C ATOM 1414 C ASN A 83 -5.573 -17.600 -9.846 1.00 0.00 C ATOM 1415 O ASN A 83 -4.363 -17.836 -9.807 1.00 0.00 O ATOM 1416 CB ASN A 83 -7.163 -15.702 -9.351 1.00 0.00 C ATOM 1417 CG ASN A 83 -8.452 -16.296 -9.894 1.00 0.00 C ATOM 1418 OD1 ASN A 83 -8.971 -17.275 -9.360 1.00 0.00 O ATOM 1419 ND2 ASN A 83 -8.962 -15.723 -10.970 1.00 0.00 N ATOM 0 H ASN A 83 -4.432 -15.668 -8.539 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.791 -17.411 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.405 -14.960 -8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.646 -15.178 -10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.817 -16.091 -11.387 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.501 -14.912 -11.383 1.00 0.00 H new ATOM 1426 N ASN A 84 -6.388 -18.057 -10.806 1.00 0.00 N ATOM 1427 CA ASN A 84 -5.923 -18.834 -11.960 1.00 0.00 C ATOM 1428 C ASN A 84 -5.600 -20.265 -11.545 1.00 0.00 C ATOM 1429 O ASN A 84 -4.435 -20.543 -11.197 1.00 0.00 O ATOM 1430 CB ASN A 84 -4.702 -18.174 -12.621 1.00 0.00 C ATOM 1431 CG ASN A 84 -4.358 -18.767 -13.977 1.00 0.00 C ATOM 1432 OD1 ASN A 84 -4.655 -19.923 -14.271 1.00 0.00 O ATOM 1433 ND2 ASN A 84 -3.706 -17.976 -14.809 1.00 0.00 N ATOM 1434 OXT ASN A 84 -6.521 -21.108 -11.556 1.00 0.00 O ATOM 0 H ASN A 84 -7.395 -17.896 -10.803 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.728 -18.858 -12.695 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.893 -17.107 -12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.841 -18.274 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.432 -18.319 -15.730 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.476 -17.022 -14.531 1.00 0.00 H new TER 1441 ASN A 84