USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 62 THR OG1 : rot 98:sc= 0.364 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.177 K(o=0.54,f=-1.2!) USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= -0.635 USER MOD Set 2.2: A 35 GLN : amide:sc= -6.58! C(o=-7.2!,f=-6.9!) USER MOD Set 3.1: A 24 GLN : amide:sc= -0.115 X(o=-0.98,f=-0.9) USER MOD Set 3.2: A 53 ASN : amide:sc= -0.868 K(o=-0.98,f=-2.3!) USER MOD Set 4.1: A 19 HIS :FLIP no HE2:sc= -7.66! C(o=-11!,f=-9.4!) USER MOD Set 4.2: A 21 MET CE :methyl -118:sc= -1.1 (180deg=-0.424) USER MOD Set 4.3: A 87 HIS : no HD1:sc= -0.64 K(o=-9.4,f=-11) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0456 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.37) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.062) USER MOD Single : A 32 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.5!) USER MOD Single : A 44 SER OG : rot -150:sc= -0.0529 USER MOD Single : A 45 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.7) USER MOD Single : A 46 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-2.9!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -179:sc= -1.91 (180deg=-1.94) USER MOD Single : A 61 THR OG1 : rot -61:sc= -0.632 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -80:sc= 1.08 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 143:sc= -0.344 (180deg=-2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -2.24! C(o=-2.2!,f=-4.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0182 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.670 5.923 13.534 1.00 0.00 N ATOM 2 CA GLY A 1 -10.811 5.613 14.944 1.00 0.00 C ATOM 3 C GLY A 1 -12.260 5.453 15.359 1.00 0.00 C ATOM 4 O GLY A 1 -13.160 6.004 14.725 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.259 5.106 13.038 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.604 6.139 13.131 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.046 6.747 13.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.269 4.694 15.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.352 6.406 15.535 1.00 0.00 H new ATOM 8 N SER A 2 -12.488 4.696 16.427 1.00 0.00 N ATOM 9 CA SER A 2 -13.839 4.460 16.923 1.00 0.00 C ATOM 10 C SER A 2 -14.647 3.631 15.929 1.00 0.00 C ATOM 11 O SER A 2 -14.185 3.344 14.825 1.00 0.00 O ATOM 12 CB SER A 2 -14.546 5.790 17.189 1.00 0.00 C ATOM 13 OG SER A 2 -14.828 5.952 18.569 1.00 0.00 O ATOM 0 H SER A 2 -11.755 4.235 16.966 1.00 0.00 H new ATOM 0 HA SER A 2 -13.764 3.903 17.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.921 6.613 16.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.473 5.833 16.618 1.00 0.00 H new ATOM 0 HG SER A 2 -15.278 6.811 18.712 1.00 0.00 H new ATOM 19 N SER A 3 -15.855 3.251 16.329 1.00 0.00 N ATOM 20 CA SER A 3 -16.727 2.452 15.476 1.00 0.00 C ATOM 21 C SER A 3 -16.041 1.152 15.064 1.00 0.00 C ATOM 22 O SER A 3 -14.928 0.859 15.500 1.00 0.00 O ATOM 23 CB SER A 3 -17.127 3.247 14.233 1.00 0.00 C ATOM 24 OG SER A 3 -17.762 4.463 14.588 1.00 0.00 O ATOM 0 H SER A 3 -16.253 3.483 17.239 1.00 0.00 H new ATOM 0 HA SER A 3 -17.624 2.205 16.044 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.243 3.457 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.798 2.650 13.616 1.00 0.00 H new ATOM 0 HG SER A 3 -18.006 4.954 13.776 1.00 0.00 H new ATOM 30 N GLY A 4 -16.715 0.376 14.221 1.00 0.00 N ATOM 31 CA GLY A 4 -16.156 -0.882 13.763 1.00 0.00 C ATOM 32 C GLY A 4 -15.245 -0.710 12.564 1.00 0.00 C ATOM 33 O GLY A 4 -14.853 0.407 12.230 1.00 0.00 O ATOM 0 H GLY A 4 -17.638 0.596 13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.597 -1.345 14.576 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.967 -1.563 13.505 1.00 0.00 H new ATOM 37 N SER A 5 -14.905 -1.820 11.917 1.00 0.00 N ATOM 38 CA SER A 5 -14.030 -1.788 10.752 1.00 0.00 C ATOM 39 C SER A 5 -14.749 -1.190 9.547 1.00 0.00 C ATOM 40 O SER A 5 -15.272 -1.915 8.700 1.00 0.00 O ATOM 41 CB SER A 5 -13.536 -3.198 10.418 1.00 0.00 C ATOM 42 OG SER A 5 -12.699 -3.188 9.275 1.00 0.00 O ATOM 0 H SER A 5 -15.223 -2.753 12.180 1.00 0.00 H new ATOM 0 HA SER A 5 -13.173 -1.158 10.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.990 -3.606 11.269 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.389 -3.853 10.242 1.00 0.00 H new ATOM 0 HG SER A 5 -12.396 -4.100 9.084 1.00 0.00 H new ATOM 48 N SER A 6 -14.773 0.136 9.478 1.00 0.00 N ATOM 49 CA SER A 6 -15.432 0.833 8.379 1.00 0.00 C ATOM 50 C SER A 6 -16.729 0.129 7.990 1.00 0.00 C ATOM 51 O SER A 6 -16.771 -0.634 7.027 1.00 0.00 O ATOM 52 CB SER A 6 -14.501 0.915 7.167 1.00 0.00 C ATOM 53 OG SER A 6 -13.596 1.998 7.293 1.00 0.00 O ATOM 0 H SER A 6 -14.344 0.750 10.170 1.00 0.00 H new ATOM 0 HA SER A 6 -15.672 1.842 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.946 -0.018 7.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.091 1.034 6.258 1.00 0.00 H new ATOM 0 HG SER A 6 -13.011 2.028 6.507 1.00 0.00 H new ATOM 59 N GLY A 7 -17.788 0.395 8.750 1.00 0.00 N ATOM 60 CA GLY A 7 -19.074 -0.220 8.470 1.00 0.00 C ATOM 61 C GLY A 7 -19.993 0.692 7.683 1.00 0.00 C ATOM 62 O GLY A 7 -20.899 1.306 8.246 1.00 0.00 O ATOM 0 H GLY A 7 -17.779 1.024 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.918 -1.143 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.555 -0.493 9.409 1.00 0.00 H new ATOM 66 N GLN A 8 -19.759 0.781 6.378 1.00 0.00 N ATOM 67 CA GLN A 8 -20.572 1.626 5.512 1.00 0.00 C ATOM 68 C GLN A 8 -20.382 1.249 4.046 1.00 0.00 C ATOM 69 O GLN A 8 -19.255 1.103 3.572 1.00 0.00 O ATOM 70 CB GLN A 8 -20.216 3.099 5.721 1.00 0.00 C ATOM 71 CG GLN A 8 -21.348 3.920 6.316 1.00 0.00 C ATOM 72 CD GLN A 8 -21.855 4.990 5.368 1.00 0.00 C ATOM 73 OE1 GLN A 8 -21.070 5.668 4.704 1.00 0.00 O ATOM 74 NE2 GLN A 8 -23.171 5.146 5.299 1.00 0.00 N ATOM 0 H GLN A 8 -19.013 0.278 5.897 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.618 1.470 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -19.347 3.165 6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.927 3.534 4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -22.171 3.257 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -21.005 4.390 7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -23.784 4.562 5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -23.569 5.850 4.677 1.00 0.00 H new ATOM 83 N LYS A 9 -21.491 1.090 3.332 1.00 0.00 N ATOM 84 CA LYS A 9 -21.448 0.730 1.920 1.00 0.00 C ATOM 85 C LYS A 9 -21.385 1.976 1.043 1.00 0.00 C ATOM 86 O LYS A 9 -22.401 2.434 0.523 1.00 0.00 O ATOM 87 CB LYS A 9 -22.675 -0.106 1.549 1.00 0.00 C ATOM 88 CG LYS A 9 -22.400 -1.143 0.473 1.00 0.00 C ATOM 89 CD LYS A 9 -22.087 -2.502 1.077 1.00 0.00 C ATOM 90 CE LYS A 9 -21.013 -3.230 0.283 1.00 0.00 C ATOM 91 NZ LYS A 9 -19.646 -2.765 0.643 1.00 0.00 N ATOM 0 H LYS A 9 -22.432 1.205 3.709 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.548 0.140 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -23.045 -0.610 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.468 0.559 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.266 -1.226 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -21.563 -0.816 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -21.756 -2.376 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -22.993 -3.107 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -21.091 -4.302 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -21.181 -3.074 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.943 -3.285 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.563 -1.747 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.476 -2.937 1.654 1.00 0.00 H new ATOM 105 N GLY A 10 -20.181 2.519 0.880 1.00 0.00 N ATOM 106 CA GLY A 10 -20.008 3.706 0.063 1.00 0.00 C ATOM 107 C GLY A 10 -18.610 3.814 -0.512 1.00 0.00 C ATOM 108 O GLY A 10 -17.711 3.070 -0.121 1.00 0.00 O ATOM 0 H GLY A 10 -19.324 2.158 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.733 3.692 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.220 4.591 0.663 1.00 0.00 H new ATOM 112 N ARG A 11 -18.426 4.743 -1.446 1.00 0.00 N ATOM 113 CA ARG A 11 -17.129 4.943 -2.080 1.00 0.00 C ATOM 114 C ARG A 11 -16.631 6.368 -1.859 1.00 0.00 C ATOM 115 O ARG A 11 -17.401 7.256 -1.493 1.00 0.00 O ATOM 116 CB ARG A 11 -17.217 4.648 -3.577 1.00 0.00 C ATOM 117 CG ARG A 11 -16.992 3.185 -3.924 1.00 0.00 C ATOM 118 CD ARG A 11 -15.569 2.939 -4.401 1.00 0.00 C ATOM 119 NE ARG A 11 -15.515 2.629 -5.826 1.00 0.00 N ATOM 120 CZ ARG A 11 -16.074 1.552 -6.366 1.00 0.00 C ATOM 121 NH1 ARG A 11 -16.727 0.687 -5.603 1.00 0.00 N ATOM 122 NH2 ARG A 11 -15.982 1.339 -7.672 1.00 0.00 N ATOM 0 H ARG A 11 -19.159 5.368 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 11 -16.419 4.253 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.198 4.952 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.479 5.255 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.196 2.567 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.695 2.882 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.961 3.821 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.134 2.116 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.021 3.275 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.801 0.848 -4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.155 -0.139 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.481 2.003 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.412 0.511 -8.085 1.00 0.00 H new ATOM 136 N VAL A 12 -15.338 6.580 -2.085 1.00 0.00 N ATOM 137 CA VAL A 12 -14.738 7.898 -1.912 1.00 0.00 C ATOM 138 C VAL A 12 -13.548 8.086 -2.847 1.00 0.00 C ATOM 139 O VAL A 12 -12.648 7.249 -2.899 1.00 0.00 O ATOM 140 CB VAL A 12 -14.273 8.116 -0.460 1.00 0.00 C ATOM 141 CG1 VAL A 12 -15.332 8.870 0.331 1.00 0.00 C ATOM 142 CG2 VAL A 12 -13.949 6.786 0.203 1.00 0.00 C ATOM 0 H VAL A 12 -14.686 5.856 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.508 8.631 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.365 8.718 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.987 9.015 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.511 9.840 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.258 8.295 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.622 6.961 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.838 6.156 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.154 6.287 -0.351 1.00 0.00 H new ATOM 152 N GLU A 13 -13.552 9.192 -3.585 1.00 0.00 N ATOM 153 CA GLU A 13 -12.474 9.490 -4.519 1.00 0.00 C ATOM 154 C GLU A 13 -11.665 10.697 -4.049 1.00 0.00 C ATOM 155 O GLU A 13 -11.865 11.816 -4.523 1.00 0.00 O ATOM 156 CB GLU A 13 -13.038 9.754 -5.917 1.00 0.00 C ATOM 157 CG GLU A 13 -13.351 8.487 -6.695 1.00 0.00 C ATOM 158 CD GLU A 13 -14.521 8.659 -7.643 1.00 0.00 C ATOM 159 OE1 GLU A 13 -15.610 9.054 -7.176 1.00 0.00 O ATOM 160 OE2 GLU A 13 -14.349 8.400 -8.853 1.00 0.00 O ATOM 0 H GLU A 13 -14.290 9.896 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.813 8.624 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.947 10.349 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.322 10.350 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.470 8.186 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.571 7.680 -5.995 1.00 0.00 H new ATOM 167 N THR A 14 -10.750 10.461 -3.113 1.00 0.00 N ATOM 168 CA THR A 14 -9.912 11.526 -2.578 1.00 0.00 C ATOM 169 C THR A 14 -8.445 11.112 -2.552 1.00 0.00 C ATOM 170 O THR A 14 -8.083 10.115 -1.927 1.00 0.00 O ATOM 171 CB THR A 14 -10.347 11.921 -1.155 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.595 13.055 -0.709 1.00 0.00 O ATOM 173 CG2 THR A 14 -10.150 10.763 -0.187 1.00 0.00 C ATOM 0 H THR A 14 -10.571 9.541 -2.710 1.00 0.00 H new ATOM 0 HA THR A 14 -10.032 12.384 -3.239 1.00 0.00 H new ATOM 0 HB THR A 14 -11.406 12.176 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.879 13.301 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.464 11.066 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.747 9.911 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.097 10.481 -0.166 1.00 0.00 H new ATOM 181 N ARG A 15 -7.605 11.883 -3.236 1.00 0.00 N ATOM 182 CA ARG A 15 -6.177 11.594 -3.291 1.00 0.00 C ATOM 183 C ARG A 15 -5.931 10.100 -3.476 1.00 0.00 C ATOM 184 O ARG A 15 -6.846 9.347 -3.809 1.00 0.00 O ATOM 185 CB ARG A 15 -5.487 12.082 -2.017 1.00 0.00 C ATOM 186 CG ARG A 15 -4.592 13.291 -2.232 1.00 0.00 C ATOM 187 CD ARG A 15 -3.126 12.892 -2.310 1.00 0.00 C ATOM 188 NE ARG A 15 -2.241 13.983 -1.913 1.00 0.00 N ATOM 189 CZ ARG A 15 -1.901 14.984 -2.717 1.00 0.00 C ATOM 190 NH1 ARG A 15 -2.371 15.033 -3.956 1.00 0.00 N ATOM 191 NH2 ARG A 15 -1.089 15.940 -2.283 1.00 0.00 N ATOM 0 H ARG A 15 -7.889 12.711 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.758 12.122 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.246 12.330 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.891 11.269 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.881 13.800 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.734 14.000 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.950 12.030 -1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.888 12.584 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.863 13.976 -0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.995 14.301 -4.294 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.108 15.803 -4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.725 15.907 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.829 16.708 -2.902 1.00 0.00 H new ATOM 205 N ARG A 16 -4.690 9.679 -3.258 1.00 0.00 N ATOM 206 CA ARG A 16 -4.322 8.275 -3.403 1.00 0.00 C ATOM 207 C ARG A 16 -3.184 7.911 -2.454 1.00 0.00 C ATOM 208 O ARG A 16 -2.033 8.284 -2.676 1.00 0.00 O ATOM 209 CB ARG A 16 -3.912 7.980 -4.846 1.00 0.00 C ATOM 210 CG ARG A 16 -4.398 9.019 -5.843 1.00 0.00 C ATOM 211 CD ARG A 16 -3.564 10.289 -5.776 1.00 0.00 C ATOM 212 NE ARG A 16 -3.509 10.977 -7.062 1.00 0.00 N ATOM 213 CZ ARG A 16 -2.913 12.150 -7.244 1.00 0.00 C ATOM 214 NH1 ARG A 16 -2.325 12.762 -6.226 1.00 0.00 N ATOM 215 NH2 ARG A 16 -2.905 12.712 -8.446 1.00 0.00 N ATOM 0 H ARG A 16 -3.922 10.290 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.192 7.669 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.825 7.918 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.302 7.003 -5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.354 8.606 -6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.442 9.257 -5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.983 10.958 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.552 10.042 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.953 10.532 -7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.330 12.332 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.868 13.663 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.357 12.243 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.447 13.613 -8.585 1.00 0.00 H new ATOM 229 N VAL A 17 -3.515 7.179 -1.394 1.00 0.00 N ATOM 230 CA VAL A 17 -2.522 6.763 -0.412 1.00 0.00 C ATOM 231 C VAL A 17 -2.774 5.333 0.053 1.00 0.00 C ATOM 232 O VAL A 17 -3.537 5.098 0.990 1.00 0.00 O ATOM 233 CB VAL A 17 -2.519 7.696 0.814 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.588 7.162 1.890 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.124 9.108 0.407 1.00 0.00 C ATOM 0 H VAL A 17 -4.464 6.862 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.550 6.817 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.528 7.730 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.600 7.835 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.921 6.172 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.575 7.096 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.127 9.754 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.126 9.095 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.836 9.488 -0.326 1.00 0.00 H new ATOM 245 N VAL A 18 -2.126 4.379 -0.608 1.00 0.00 N ATOM 246 CA VAL A 18 -2.278 2.971 -0.263 1.00 0.00 C ATOM 247 C VAL A 18 -1.374 2.591 0.905 1.00 0.00 C ATOM 248 O VAL A 18 -0.151 2.554 0.769 1.00 0.00 O ATOM 249 CB VAL A 18 -1.959 2.060 -1.463 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.767 2.599 -2.240 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.701 0.635 -0.996 1.00 0.00 C ATOM 0 H VAL A 18 -1.490 4.556 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.319 2.827 0.025 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.822 2.049 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.556 1.943 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.994 3.600 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.104 2.641 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.477 0.005 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.855 0.625 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.586 0.253 -0.487 1.00 0.00 H new ATOM 261 N HIS A 19 -1.983 2.310 2.052 1.00 0.00 N ATOM 262 CA HIS A 19 -1.233 1.931 3.244 1.00 0.00 C ATOM 263 C HIS A 19 -0.991 0.425 3.278 1.00 0.00 C ATOM 264 O HIS A 19 -1.903 -0.365 3.035 1.00 0.00 O ATOM 265 CB HIS A 19 -1.982 2.368 4.504 1.00 0.00 C ATOM 266 CG HIS A 19 -1.322 1.929 5.775 1.00 0.00 C ATOM 267 ND1 HIS A 19 -0.020 1.698 6.062 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -2.021 1.676 6.936 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.043 1.313 7.379 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.177 1.309 7.884 1.00 0.00 N flip ATOM 0 H HIS A 19 -2.994 2.338 2.181 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.267 2.435 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.070 3.454 4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.995 1.966 4.473 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.767 1.792 5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.091 1.764 7.052 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.945 1.055 7.915 1.00 0.00 H new ATOM 278 N ILE A 20 0.242 0.036 3.580 1.00 0.00 N ATOM 279 CA ILE A 20 0.603 -1.374 3.648 1.00 0.00 C ATOM 280 C ILE A 20 1.348 -1.692 4.940 1.00 0.00 C ATOM 281 O ILE A 20 2.311 -1.015 5.295 1.00 0.00 O ATOM 282 CB ILE A 20 1.479 -1.788 2.450 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.816 -1.369 1.136 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.727 -3.289 2.469 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.718 -0.554 0.237 1.00 0.00 C ATOM 0 H ILE A 20 1.009 0.678 3.782 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.329 -1.939 3.621 1.00 0.00 H new ATOM 0 HB ILE A 20 2.440 -1.279 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.494 -2.262 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.080 -0.790 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.347 -3.566 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.237 -3.562 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.775 -3.816 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.182 -0.292 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.020 0.357 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.603 -1.138 -0.017 1.00 0.00 H new ATOM 297 N MET A 21 0.893 -2.728 5.639 1.00 0.00 N ATOM 298 CA MET A 21 1.518 -3.136 6.891 1.00 0.00 C ATOM 299 C MET A 21 1.807 -4.634 6.890 1.00 0.00 C ATOM 300 O MET A 21 1.301 -5.373 6.046 1.00 0.00 O ATOM 301 CB MET A 21 0.617 -2.780 8.075 1.00 0.00 C ATOM 302 CG MET A 21 -0.264 -1.567 7.825 1.00 0.00 C ATOM 303 SD MET A 21 -2.004 -2.000 7.635 1.00 0.00 S ATOM 304 CE MET A 21 -2.307 -1.453 5.957 1.00 0.00 C ATOM 0 H MET A 21 0.095 -3.299 5.359 1.00 0.00 H new ATOM 0 HA MET A 21 2.463 -2.601 6.989 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.016 -3.636 8.310 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.239 -2.593 8.951 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.156 -0.867 8.654 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.079 -1.053 6.927 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.064 -0.669 5.961 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.383 -1.063 5.529 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.658 -2.293 5.358 1.00 0.00 H new ATOM 314 N ASP A 22 2.625 -5.075 7.841 1.00 0.00 N ATOM 315 CA ASP A 22 2.981 -6.485 7.950 1.00 0.00 C ATOM 316 C ASP A 22 4.001 -6.871 6.883 1.00 0.00 C ATOM 317 O ASP A 22 4.214 -8.053 6.612 1.00 0.00 O ATOM 318 CB ASP A 22 1.733 -7.359 7.820 1.00 0.00 C ATOM 319 CG ASP A 22 1.924 -8.735 8.428 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.607 -9.571 7.800 1.00 0.00 O ATOM 321 OD2 ASP A 22 1.393 -8.974 9.532 1.00 0.00 O ATOM 0 H ASP A 22 3.053 -4.476 8.547 1.00 0.00 H new ATOM 0 HA ASP A 22 3.428 -6.647 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.893 -6.863 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.474 -7.463 6.766 1.00 0.00 H new ATOM 326 N PHE A 23 4.629 -5.866 6.281 1.00 0.00 N ATOM 327 CA PHE A 23 5.626 -6.101 5.243 1.00 0.00 C ATOM 328 C PHE A 23 7.038 -5.965 5.804 1.00 0.00 C ATOM 329 O PHE A 23 7.323 -5.053 6.579 1.00 0.00 O ATOM 330 CB PHE A 23 5.429 -5.120 4.085 1.00 0.00 C ATOM 331 CG PHE A 23 5.948 -3.740 4.374 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.267 -3.413 4.104 1.00 0.00 C ATOM 333 CD2 PHE A 23 5.117 -2.772 4.913 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.748 -2.144 4.369 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.592 -1.502 5.180 1.00 0.00 C ATOM 336 CZ PHE A 23 6.909 -1.187 4.906 1.00 0.00 C ATOM 0 H PHE A 23 4.465 -4.882 6.494 1.00 0.00 H new ATOM 0 HA PHE A 23 5.497 -7.119 4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.931 -5.510 3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.367 -5.058 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.926 -4.157 3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.086 -3.012 5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.779 -1.901 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.934 -0.757 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.282 -0.194 5.111 1.00 0.00 H new ATOM 346 N GLN A 24 7.917 -6.879 5.407 1.00 0.00 N ATOM 347 CA GLN A 24 9.299 -6.863 5.871 1.00 0.00 C ATOM 348 C GLN A 24 10.185 -6.073 4.913 1.00 0.00 C ATOM 349 O GLN A 24 9.695 -5.446 3.973 1.00 0.00 O ATOM 350 CB GLN A 24 9.829 -8.290 6.014 1.00 0.00 C ATOM 351 CG GLN A 24 9.099 -9.106 7.069 1.00 0.00 C ATOM 352 CD GLN A 24 9.318 -8.577 8.472 1.00 0.00 C ATOM 353 OE1 GLN A 24 10.453 -8.361 8.897 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.229 -8.365 9.201 1.00 0.00 N ATOM 0 H GLN A 24 7.697 -7.640 4.765 1.00 0.00 H new ATOM 0 HA GLN A 24 9.322 -6.376 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.747 -8.797 5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.889 -8.252 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.032 -9.107 6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.436 -10.142 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.307 -8.558 8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.314 -8.009 10.153 1.00 0.00 H new ATOM 363 N ARG A 25 11.492 -6.107 5.159 1.00 0.00 N ATOM 364 CA ARG A 25 12.445 -5.392 4.320 1.00 0.00 C ATOM 365 C ARG A 25 13.615 -6.295 3.937 1.00 0.00 C ATOM 366 O ARG A 25 13.792 -7.372 4.504 1.00 0.00 O ATOM 367 CB ARG A 25 12.962 -4.149 5.043 1.00 0.00 C ATOM 368 CG ARG A 25 11.862 -3.305 5.667 1.00 0.00 C ATOM 369 CD ARG A 25 12.173 -1.820 5.565 1.00 0.00 C ATOM 370 NE ARG A 25 12.358 -1.209 6.878 1.00 0.00 N ATOM 371 CZ ARG A 25 13.500 -1.257 7.557 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.551 -1.885 7.049 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.590 -0.676 8.747 1.00 0.00 N ATOM 0 H ARG A 25 11.913 -6.622 5.932 1.00 0.00 H new ATOM 0 HA ARG A 25 11.931 -5.085 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.659 -4.456 5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.523 -3.536 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.915 -3.514 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.740 -3.581 6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.075 -1.678 4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.362 -1.315 5.041 1.00 0.00 H new ATOM 0 HE ARG A 25 11.568 -0.719 7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.485 -2.333 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.426 -1.920 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.783 -0.193 9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.466 -0.713 9.268 1.00 0.00 H new ATOM 387 N GLY A 26 14.411 -5.847 2.971 1.00 0.00 N ATOM 388 CA GLY A 26 15.553 -6.626 2.530 1.00 0.00 C ATOM 389 C GLY A 26 16.451 -5.853 1.584 1.00 0.00 C ATOM 390 O GLY A 26 17.169 -4.944 2.001 1.00 0.00 O ATOM 0 H GLY A 26 14.285 -4.959 2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.131 -6.941 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.202 -7.531 2.035 1.00 0.00 H new ATOM 394 N LYS A 27 16.414 -6.216 0.306 1.00 0.00 N ATOM 395 CA LYS A 27 17.231 -5.552 -0.702 1.00 0.00 C ATOM 396 C LYS A 27 16.355 -4.854 -1.738 1.00 0.00 C ATOM 397 O LYS A 27 16.594 -3.700 -2.090 1.00 0.00 O ATOM 398 CB LYS A 27 18.148 -6.564 -1.392 1.00 0.00 C ATOM 399 CG LYS A 27 17.411 -7.764 -1.961 1.00 0.00 C ATOM 400 CD LYS A 27 18.376 -8.843 -2.423 1.00 0.00 C ATOM 401 CE LYS A 27 17.637 -10.046 -2.990 1.00 0.00 C ATOM 402 NZ LYS A 27 18.446 -11.292 -2.887 1.00 0.00 N ATOM 0 H LYS A 27 15.826 -6.967 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 27 17.841 -4.800 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.686 -6.064 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.894 -6.912 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.741 -8.173 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.790 -7.447 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.044 -8.435 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.999 -9.159 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.696 -10.179 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.388 -9.860 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.908 -12.089 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.333 -11.175 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.663 -11.484 -1.888 1.00 0.00 H new ATOM 416 N ASN A 28 15.340 -5.562 -2.221 1.00 0.00 N ATOM 417 CA ASN A 28 14.427 -5.009 -3.216 1.00 0.00 C ATOM 418 C ASN A 28 13.043 -4.777 -2.616 1.00 0.00 C ATOM 419 O ASN A 28 12.026 -4.951 -3.289 1.00 0.00 O ATOM 420 CB ASN A 28 14.323 -5.949 -4.419 1.00 0.00 C ATOM 421 CG ASN A 28 15.641 -6.098 -5.153 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.135 -7.210 -5.344 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.219 -4.976 -5.566 1.00 0.00 N ATOM 0 H ASN A 28 15.128 -6.519 -1.940 1.00 0.00 H new ATOM 0 HA ASN A 28 14.825 -4.049 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.985 -6.929 -4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.568 -5.571 -5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.109 -5.014 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.773 -4.076 -5.386 1.00 0.00 H new ATOM 430 N LEU A 29 13.013 -4.382 -1.348 1.00 0.00 N ATOM 431 CA LEU A 29 11.755 -4.125 -0.656 1.00 0.00 C ATOM 432 C LEU A 29 10.949 -3.048 -1.375 1.00 0.00 C ATOM 433 O LEU A 29 9.888 -3.323 -1.937 1.00 0.00 O ATOM 434 CB LEU A 29 12.021 -3.700 0.788 1.00 0.00 C ATOM 435 CG LEU A 29 10.789 -3.360 1.627 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.361 -1.920 1.389 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.648 -4.317 1.308 1.00 0.00 C ATOM 0 H LEU A 29 13.846 -4.233 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 29 11.175 -5.048 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.565 -4.502 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.677 -2.830 0.774 1.00 0.00 H new ATOM 0 HG LEU A 29 11.048 -3.471 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.483 -1.697 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.173 -1.248 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.120 -1.782 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.779 -4.061 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.391 -4.237 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.957 -5.338 1.530 1.00 0.00 H new ATOM 449 N ARG A 30 11.461 -1.821 -1.356 1.00 0.00 N ATOM 450 CA ARG A 30 10.790 -0.703 -2.006 1.00 0.00 C ATOM 451 C ARG A 30 10.087 -1.158 -3.282 1.00 0.00 C ATOM 452 O ARG A 30 9.022 -0.649 -3.632 1.00 0.00 O ATOM 453 CB ARG A 30 11.795 0.404 -2.330 1.00 0.00 C ATOM 454 CG ARG A 30 11.203 1.544 -3.144 1.00 0.00 C ATOM 455 CD ARG A 30 12.283 2.489 -3.646 1.00 0.00 C ATOM 456 NE ARG A 30 13.252 1.809 -4.501 1.00 0.00 N ATOM 457 CZ ARG A 30 14.330 1.185 -4.040 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.576 1.154 -2.737 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.165 0.588 -4.882 1.00 0.00 N ATOM 0 H ARG A 30 12.339 -1.577 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 30 10.040 -0.312 -1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.196 0.804 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.633 -0.026 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.650 1.139 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.490 2.097 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.821 3.306 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.800 2.934 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 30 13.092 1.813 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.937 1.610 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.405 0.674 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.979 0.608 -5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.992 0.109 -4.526 1.00 0.00 H new ATOM 473 N TYR A 31 10.691 -2.118 -3.973 1.00 0.00 N ATOM 474 CA TYR A 31 10.126 -2.639 -5.212 1.00 0.00 C ATOM 475 C TYR A 31 8.996 -3.622 -4.924 1.00 0.00 C ATOM 476 O TYR A 31 7.930 -3.555 -5.535 1.00 0.00 O ATOM 477 CB TYR A 31 11.212 -3.323 -6.044 1.00 0.00 C ATOM 478 CG TYR A 31 10.667 -4.214 -7.138 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.303 -3.690 -8.371 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.515 -5.581 -6.936 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.803 -4.500 -9.372 1.00 0.00 C ATOM 482 CE2 TYR A 31 10.017 -6.399 -7.932 1.00 0.00 C ATOM 483 CZ TYR A 31 9.662 -5.854 -9.147 1.00 0.00 C ATOM 484 OH TYR A 31 9.166 -6.665 -10.142 1.00 0.00 O ATOM 0 H TYR A 31 11.572 -2.551 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 31 9.719 -1.800 -5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.849 -2.560 -6.492 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.843 -3.918 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.413 -2.631 -8.551 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.791 -6.011 -5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.524 -4.076 -10.325 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.907 -7.459 -7.759 1.00 0.00 H new ATOM 0 HH TYR A 31 9.131 -7.591 -9.822 1.00 0.00 H new ATOM 494 N GLN A 32 9.238 -4.534 -3.989 1.00 0.00 N ATOM 495 CA GLN A 32 8.240 -5.532 -3.618 1.00 0.00 C ATOM 496 C GLN A 32 6.887 -4.879 -3.359 1.00 0.00 C ATOM 497 O GLN A 32 5.855 -5.350 -3.841 1.00 0.00 O ATOM 498 CB GLN A 32 8.694 -6.301 -2.376 1.00 0.00 C ATOM 499 CG GLN A 32 9.931 -7.155 -2.607 1.00 0.00 C ATOM 500 CD GLN A 32 9.594 -8.605 -2.894 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.609 -9.138 -2.382 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.411 -9.251 -3.716 1.00 0.00 N ATOM 0 H GLN A 32 10.116 -4.603 -3.474 1.00 0.00 H new ATOM 0 HA GLN A 32 8.134 -6.229 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.897 -5.592 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.879 -6.941 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.499 -6.746 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.573 -7.102 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.216 -8.770 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.234 -10.229 -3.946 1.00 0.00 H new ATOM 511 N LEU A 33 6.897 -3.791 -2.597 1.00 0.00 N ATOM 512 CA LEU A 33 5.669 -3.072 -2.274 1.00 0.00 C ATOM 513 C LEU A 33 5.144 -2.318 -3.492 1.00 0.00 C ATOM 514 O LEU A 33 3.951 -2.364 -3.796 1.00 0.00 O ATOM 515 CB LEU A 33 5.914 -2.095 -1.122 1.00 0.00 C ATOM 516 CG LEU A 33 6.520 -2.695 0.148 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.208 -1.618 0.971 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.448 -3.394 0.971 1.00 0.00 C ATOM 0 H LEU A 33 7.741 -3.387 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 33 4.919 -3.802 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.574 -1.304 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.965 -1.626 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 33 7.267 -3.434 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.633 -2.063 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.003 -1.162 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.482 -0.855 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.897 -3.815 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.678 -2.675 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.000 -4.193 0.381 1.00 0.00 H new ATOM 530 N LEU A 34 6.041 -1.626 -4.185 1.00 0.00 N ATOM 531 CA LEU A 34 5.668 -0.864 -5.372 1.00 0.00 C ATOM 532 C LEU A 34 5.101 -1.779 -6.452 1.00 0.00 C ATOM 533 O LEU A 34 4.356 -1.336 -7.325 1.00 0.00 O ATOM 534 CB LEU A 34 6.880 -0.105 -5.916 1.00 0.00 C ATOM 535 CG LEU A 34 7.340 1.101 -5.095 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.710 1.572 -5.559 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.325 2.231 -5.193 1.00 0.00 C ATOM 0 H LEU A 34 7.031 -1.577 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 34 4.896 -0.149 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.714 -0.803 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.648 0.235 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 34 7.417 0.797 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.021 2.430 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.433 0.765 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.660 1.858 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.668 3.081 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.216 2.533 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.363 1.890 -4.812 1.00 0.00 H new ATOM 549 N GLN A 35 5.457 -3.058 -6.384 1.00 0.00 N ATOM 550 CA GLN A 35 4.982 -4.037 -7.355 1.00 0.00 C ATOM 551 C GLN A 35 3.506 -4.348 -7.135 1.00 0.00 C ATOM 552 O GLN A 35 2.861 -4.976 -7.976 1.00 0.00 O ATOM 553 CB GLN A 35 5.807 -5.321 -7.262 1.00 0.00 C ATOM 554 CG GLN A 35 7.111 -5.265 -8.040 1.00 0.00 C ATOM 555 CD GLN A 35 6.893 -5.182 -9.539 1.00 0.00 C ATOM 556 OE1 GLN A 35 6.507 -6.161 -10.177 1.00 0.00 O ATOM 557 NE2 GLN A 35 7.141 -4.008 -10.108 1.00 0.00 N ATOM 0 H GLN A 35 6.073 -3.440 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 35 5.100 -3.611 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.027 -5.526 -6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.209 -6.154 -7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.688 -4.401 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.704 -6.150 -7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.460 -3.223 -9.540 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.013 -3.891 -11.113 1.00 0.00 H new ATOM 566 N LEU A 36 2.975 -3.908 -5.999 1.00 0.00 N ATOM 567 CA LEU A 36 1.574 -4.140 -5.669 1.00 0.00 C ATOM 568 C LEU A 36 0.682 -3.073 -6.294 1.00 0.00 C ATOM 569 O LEU A 36 -0.537 -3.228 -6.361 1.00 0.00 O ATOM 570 CB LEU A 36 1.384 -4.155 -4.150 1.00 0.00 C ATOM 571 CG LEU A 36 2.246 -5.153 -3.376 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.156 -4.888 -1.882 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.823 -6.581 -3.692 1.00 0.00 C ATOM 0 H LEU A 36 3.494 -3.389 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 36 1.286 -5.110 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.590 -3.155 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.337 -4.368 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 36 3.283 -5.025 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.776 -5.608 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.507 -3.878 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.121 -4.988 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.447 -7.278 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.779 -6.722 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.939 -6.767 -4.760 1.00 0.00 H new ATOM 585 N VAL A 37 1.299 -1.988 -6.752 1.00 0.00 N ATOM 586 CA VAL A 37 0.561 -0.896 -7.376 1.00 0.00 C ATOM 587 C VAL A 37 1.104 -0.590 -8.768 1.00 0.00 C ATOM 588 O VAL A 37 0.410 -0.008 -9.601 1.00 0.00 O ATOM 589 CB VAL A 37 0.624 0.384 -6.522 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.152 0.102 -5.103 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.034 0.955 -6.519 1.00 0.00 C ATOM 0 H VAL A 37 2.307 -1.842 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.476 -1.221 -7.456 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.042 1.126 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.203 1.018 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.877 -0.257 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.791 -0.657 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.059 1.859 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.724 0.219 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.331 1.196 -7.540 1.00 0.00 H new ATOM 601 N GLU A 38 2.349 -0.987 -9.013 1.00 0.00 N ATOM 602 CA GLU A 38 2.985 -0.756 -10.304 1.00 0.00 C ATOM 603 C GLU A 38 2.052 -1.144 -11.447 1.00 0.00 C ATOM 604 O GLU A 38 1.674 -0.321 -12.280 1.00 0.00 O ATOM 605 CB GLU A 38 4.290 -1.547 -10.404 1.00 0.00 C ATOM 606 CG GLU A 38 5.525 -0.671 -10.532 1.00 0.00 C ATOM 607 CD GLU A 38 6.289 -0.925 -11.817 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.639 -1.083 -12.872 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.537 -0.964 -11.769 1.00 0.00 O ATOM 0 H GLU A 38 2.937 -1.470 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 38 3.208 0.308 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.392 -2.177 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.236 -2.213 -11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.228 0.377 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.183 -0.850 -9.681 1.00 0.00 H new ATOM 616 N PRO A 39 1.672 -2.430 -11.489 1.00 0.00 N ATOM 617 CA PRO A 39 0.779 -2.959 -12.525 1.00 0.00 C ATOM 618 C PRO A 39 -0.647 -2.440 -12.380 1.00 0.00 C ATOM 619 O PRO A 39 -1.535 -2.813 -13.147 1.00 0.00 O ATOM 620 CB PRO A 39 0.825 -4.471 -12.294 1.00 0.00 C ATOM 621 CG PRO A 39 1.184 -4.624 -10.857 1.00 0.00 C ATOM 622 CD PRO A 39 2.085 -3.466 -10.529 1.00 0.00 C ATOM 0 HA PRO A 39 1.090 -2.658 -13.525 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.137 -4.934 -12.513 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.563 -4.948 -12.939 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.293 -4.615 -10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.689 -5.574 -10.680 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.954 -3.134 -9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.136 -3.728 -10.648 1.00 0.00 H new ATOM 630 N PHE A 40 -0.861 -1.577 -11.391 1.00 0.00 N ATOM 631 CA PHE A 40 -2.181 -1.008 -11.146 1.00 0.00 C ATOM 632 C PHE A 40 -2.237 0.448 -11.598 1.00 0.00 C ATOM 633 O PHE A 40 -3.314 0.998 -11.825 1.00 0.00 O ATOM 634 CB PHE A 40 -2.533 -1.107 -9.660 1.00 0.00 C ATOM 635 CG PHE A 40 -2.789 -2.513 -9.198 1.00 0.00 C ATOM 636 CD1 PHE A 40 -4.059 -3.063 -9.280 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.761 -3.284 -8.680 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.297 -4.356 -8.853 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.993 -4.577 -8.253 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.263 -5.115 -8.341 1.00 0.00 C ATOM 0 H PHE A 40 -0.137 -1.257 -10.747 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.909 -1.577 -11.724 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.719 -0.682 -9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.418 -0.501 -9.463 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.871 -2.475 -9.682 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.766 -2.869 -8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.291 -4.773 -8.920 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.183 -5.167 -7.851 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.446 -6.127 -8.010 1.00 0.00 H new ATOM 650 N GLY A 41 -1.068 1.068 -11.724 1.00 0.00 N ATOM 651 CA GLY A 41 -1.005 2.456 -12.148 1.00 0.00 C ATOM 652 C GLY A 41 0.409 3.000 -12.141 1.00 0.00 C ATOM 653 O GLY A 41 1.370 2.257 -12.339 1.00 0.00 O ATOM 0 H GLY A 41 -0.163 0.635 -11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.420 2.545 -13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.628 3.062 -11.490 1.00 0.00 H new ATOM 657 N VAL A 42 0.538 4.304 -11.914 1.00 0.00 N ATOM 658 CA VAL A 42 1.846 4.949 -11.884 1.00 0.00 C ATOM 659 C VAL A 42 2.228 5.348 -10.463 1.00 0.00 C ATOM 660 O VAL A 42 1.372 5.730 -9.664 1.00 0.00 O ATOM 661 CB VAL A 42 1.875 6.199 -12.783 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.555 6.949 -12.700 1.00 0.00 C ATOM 663 CG2 VAL A 42 3.037 7.103 -12.399 1.00 0.00 C ATOM 0 H VAL A 42 -0.247 4.934 -11.748 1.00 0.00 H new ATOM 0 HA VAL A 42 2.567 4.223 -12.261 1.00 0.00 H new ATOM 0 HB VAL A 42 2.018 5.879 -13.815 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.595 7.829 -13.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.255 6.297 -13.028 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.377 7.259 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.043 7.982 -13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.927 7.416 -11.361 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.975 6.560 -12.517 1.00 0.00 H new ATOM 673 N ILE A 43 3.517 5.258 -10.156 1.00 0.00 N ATOM 674 CA ILE A 43 4.013 5.612 -8.832 1.00 0.00 C ATOM 675 C ILE A 43 4.350 7.097 -8.751 1.00 0.00 C ATOM 676 O ILE A 43 5.397 7.534 -9.230 1.00 0.00 O ATOM 677 CB ILE A 43 5.264 4.792 -8.462 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.113 3.347 -8.941 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.500 4.837 -6.960 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.074 2.560 -8.170 1.00 0.00 C ATOM 0 H ILE A 43 4.237 4.943 -10.806 1.00 0.00 H new ATOM 0 HA ILE A 43 3.216 5.383 -8.124 1.00 0.00 H new ATOM 0 HB ILE A 43 6.129 5.230 -8.959 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.845 3.349 -9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.075 2.842 -8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.387 4.253 -6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.647 5.870 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.636 4.420 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.021 1.545 -8.563 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.351 2.527 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.102 3.041 -8.275 1.00 0.00 H new ATOM 692 N SER A 44 3.457 7.867 -8.138 1.00 0.00 N ATOM 693 CA SER A 44 3.658 9.305 -7.994 1.00 0.00 C ATOM 694 C SER A 44 4.657 9.605 -6.880 1.00 0.00 C ATOM 695 O SER A 44 5.496 10.496 -7.006 1.00 0.00 O ATOM 696 CB SER A 44 2.328 10.001 -7.703 1.00 0.00 C ATOM 697 OG SER A 44 1.899 10.766 -8.816 1.00 0.00 O ATOM 0 H SER A 44 2.588 7.520 -7.733 1.00 0.00 H new ATOM 0 HA SER A 44 4.061 9.686 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.571 9.257 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.435 10.648 -6.832 1.00 0.00 H new ATOM 0 HG SER A 44 1.374 11.532 -8.503 1.00 0.00 H new ATOM 703 N ASN A 45 4.559 8.853 -5.787 1.00 0.00 N ATOM 704 CA ASN A 45 5.452 9.038 -4.649 1.00 0.00 C ATOM 705 C ASN A 45 5.158 8.016 -3.556 1.00 0.00 C ATOM 706 O ASN A 45 4.014 7.862 -3.125 1.00 0.00 O ATOM 707 CB ASN A 45 5.312 10.455 -4.090 1.00 0.00 C ATOM 708 CG ASN A 45 6.406 11.382 -4.583 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.592 11.078 -4.465 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.009 12.521 -5.139 1.00 0.00 N ATOM 0 H ASN A 45 3.870 8.110 -5.666 1.00 0.00 H new ATOM 0 HA ASN A 45 6.476 8.890 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.341 10.860 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.335 10.417 -3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.699 13.185 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.014 12.731 -5.216 1.00 0.00 H new ATOM 717 N HIS A 46 6.199 7.319 -3.110 1.00 0.00 N ATOM 718 CA HIS A 46 6.053 6.311 -2.064 1.00 0.00 C ATOM 719 C HIS A 46 6.753 6.753 -0.783 1.00 0.00 C ATOM 720 O HIS A 46 7.641 7.607 -0.811 1.00 0.00 O ATOM 721 CB HIS A 46 6.622 4.973 -2.536 1.00 0.00 C ATOM 722 CG HIS A 46 8.114 4.888 -2.437 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.963 5.728 -3.124 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.908 4.056 -1.723 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.214 5.417 -2.840 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.208 4.405 -1.991 1.00 0.00 N ATOM 0 H HIS A 46 7.152 7.433 -3.456 1.00 0.00 H new ATOM 0 HA HIS A 46 4.990 6.191 -1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.181 4.171 -1.944 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.325 4.806 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.580 3.265 -1.065 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.092 5.906 -3.234 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.035 3.956 -1.598 1.00 0.00 H new ATOM 734 N LEU A 47 6.348 6.167 0.338 1.00 0.00 N ATOM 735 CA LEU A 47 6.935 6.500 1.631 1.00 0.00 C ATOM 736 C LEU A 47 7.141 5.246 2.475 1.00 0.00 C ATOM 737 O LEU A 47 6.206 4.476 2.697 1.00 0.00 O ATOM 738 CB LEU A 47 6.042 7.492 2.379 1.00 0.00 C ATOM 739 CG LEU A 47 6.499 7.878 3.786 1.00 0.00 C ATOM 740 CD1 LEU A 47 5.665 9.032 4.320 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.419 6.681 4.721 1.00 0.00 C ATOM 0 H LEU A 47 5.615 5.459 0.378 1.00 0.00 H new ATOM 0 HA LEU A 47 7.907 6.959 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.963 8.401 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.040 7.068 2.448 1.00 0.00 H new ATOM 0 HG LEU A 47 7.538 8.202 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.005 9.293 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.775 9.895 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.617 8.736 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.748 6.975 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.390 6.325 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.062 5.884 4.347 1.00 0.00 H new ATOM 753 N ILE A 48 8.368 5.050 2.944 1.00 0.00 N ATOM 754 CA ILE A 48 8.695 3.892 3.766 1.00 0.00 C ATOM 755 C ILE A 48 9.470 4.305 5.013 1.00 0.00 C ATOM 756 O ILE A 48 10.572 4.847 4.922 1.00 0.00 O ATOM 757 CB ILE A 48 9.523 2.859 2.979 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.139 2.887 1.499 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.320 1.466 3.559 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.800 1.797 0.683 1.00 0.00 C ATOM 0 H ILE A 48 9.152 5.678 2.769 1.00 0.00 H new ATOM 0 HA ILE A 48 7.750 3.438 4.062 1.00 0.00 H new ATOM 0 HB ILE A 48 10.578 3.118 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.057 2.790 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.408 3.857 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.911 0.746 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.638 1.456 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.266 1.197 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.482 1.877 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.883 1.905 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.511 0.822 1.076 1.00 0.00 H new ATOM 772 N LEU A 49 8.888 4.042 6.178 1.00 0.00 N ATOM 773 CA LEU A 49 9.525 4.384 7.446 1.00 0.00 C ATOM 774 C LEU A 49 10.545 3.323 7.846 1.00 0.00 C ATOM 775 O LEU A 49 10.500 2.191 7.366 1.00 0.00 O ATOM 776 CB LEU A 49 8.472 4.535 8.544 1.00 0.00 C ATOM 777 CG LEU A 49 7.233 5.355 8.178 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.202 5.292 9.294 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.617 6.798 7.884 1.00 0.00 C ATOM 0 H LEU A 49 7.977 3.593 6.271 1.00 0.00 H new ATOM 0 HA LEU A 49 10.046 5.333 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.148 3.540 8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.944 4.995 9.412 1.00 0.00 H new ATOM 0 HG LEU A 49 6.790 4.927 7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.328 5.881 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.905 4.256 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.633 5.694 10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.724 7.367 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.084 7.237 8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.318 6.825 7.050 1.00 0.00 H new ATOM 791 N ASN A 50 11.463 3.696 8.732 1.00 0.00 N ATOM 792 CA ASN A 50 12.493 2.775 9.199 1.00 0.00 C ATOM 793 C ASN A 50 12.257 2.390 10.657 1.00 0.00 C ATOM 794 O ASN A 50 13.015 1.609 11.234 1.00 0.00 O ATOM 795 CB ASN A 50 13.878 3.406 9.045 1.00 0.00 C ATOM 796 CG ASN A 50 14.400 3.314 7.624 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.750 3.764 6.681 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.581 2.727 7.464 1.00 0.00 N ATOM 0 H ASN A 50 11.515 4.629 9.141 1.00 0.00 H new ATOM 0 HA ASN A 50 12.442 1.873 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.833 4.453 9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.577 2.911 9.719 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.983 2.635 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.086 2.368 8.274 1.00 0.00 H new ATOM 805 N LYS A 51 11.203 2.941 11.246 1.00 0.00 N ATOM 806 CA LYS A 51 10.864 2.656 12.635 1.00 0.00 C ATOM 807 C LYS A 51 10.031 1.382 12.741 1.00 0.00 C ATOM 808 O LYS A 51 10.211 0.586 13.663 1.00 0.00 O ATOM 809 CB LYS A 51 10.100 3.831 13.249 1.00 0.00 C ATOM 810 CG LYS A 51 11.002 4.924 13.794 1.00 0.00 C ATOM 811 CD LYS A 51 11.188 4.794 15.296 1.00 0.00 C ATOM 812 CE LYS A 51 12.587 4.306 15.644 1.00 0.00 C ATOM 813 NZ LYS A 51 12.564 3.288 16.730 1.00 0.00 N ATOM 0 H LYS A 51 10.567 3.589 10.782 1.00 0.00 H new ATOM 0 HA LYS A 51 11.793 2.509 13.186 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.440 4.259 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.465 3.460 14.054 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.973 4.876 13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.574 5.899 13.562 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.009 5.759 15.771 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.449 4.100 15.697 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.054 3.880 14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.201 5.152 15.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.535 2.981 16.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.141 3.702 17.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.999 2.469 16.426 1.00 0.00 H new ATOM 827 N ILE A 52 9.121 1.196 11.790 1.00 0.00 N ATOM 828 CA ILE A 52 8.263 0.018 11.777 1.00 0.00 C ATOM 829 C ILE A 52 8.049 -0.490 10.354 1.00 0.00 C ATOM 830 O ILE A 52 8.771 -0.109 9.434 1.00 0.00 O ATOM 831 CB ILE A 52 6.891 0.313 12.415 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.020 1.123 11.453 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.069 1.055 13.731 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.699 2.367 10.925 1.00 0.00 C ATOM 0 H ILE A 52 8.959 1.845 11.020 1.00 0.00 H new ATOM 0 HA ILE A 52 8.770 -0.748 12.363 1.00 0.00 H new ATOM 0 HB ILE A 52 6.390 -0.633 12.618 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.735 0.490 10.613 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.100 1.409 11.962 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.092 1.257 14.170 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.656 0.444 14.417 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.587 1.997 13.550 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.023 2.891 10.249 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.959 3.021 11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.605 2.087 10.387 1.00 0.00 H new ATOM 846 N ASN A 53 7.052 -1.351 10.183 1.00 0.00 N ATOM 847 CA ASN A 53 6.742 -1.910 8.872 1.00 0.00 C ATOM 848 C ASN A 53 5.504 -1.247 8.276 1.00 0.00 C ATOM 849 O ASN A 53 4.565 -1.925 7.859 1.00 0.00 O ATOM 850 CB ASN A 53 6.523 -3.421 8.978 1.00 0.00 C ATOM 851 CG ASN A 53 7.815 -4.176 9.225 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.906 -3.649 9.008 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.697 -5.418 9.679 1.00 0.00 N ATOM 0 H ASN A 53 6.445 -1.677 10.935 1.00 0.00 H new ATOM 0 HA ASN A 53 7.589 -1.717 8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.824 -3.628 9.788 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.063 -3.784 8.059 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.531 -5.976 9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.772 -5.815 9.845 1.00 0.00 H new ATOM 860 N GLU A 54 5.512 0.082 8.239 1.00 0.00 N ATOM 861 CA GLU A 54 4.390 0.837 7.693 1.00 0.00 C ATOM 862 C GLU A 54 4.818 1.644 6.471 1.00 0.00 C ATOM 863 O GLU A 54 5.697 2.502 6.559 1.00 0.00 O ATOM 864 CB GLU A 54 3.808 1.770 8.757 1.00 0.00 C ATOM 865 CG GLU A 54 2.866 1.077 9.727 1.00 0.00 C ATOM 866 CD GLU A 54 1.852 2.026 10.335 1.00 0.00 C ATOM 867 OE1 GLU A 54 1.956 3.246 10.083 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.956 1.552 11.061 1.00 0.00 O ATOM 0 H GLU A 54 6.282 0.657 8.580 1.00 0.00 H new ATOM 0 HA GLU A 54 3.623 0.126 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.626 2.221 9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.274 2.582 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.341 0.275 9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.448 0.614 10.524 1.00 0.00 H new ATOM 875 N ALA A 55 4.194 1.363 5.334 1.00 0.00 N ATOM 876 CA ALA A 55 4.509 2.063 4.095 1.00 0.00 C ATOM 877 C ALA A 55 3.247 2.612 3.437 1.00 0.00 C ATOM 878 O ALA A 55 2.148 2.101 3.658 1.00 0.00 O ATOM 879 CB ALA A 55 5.245 1.137 3.138 1.00 0.00 C ATOM 0 H ALA A 55 3.466 0.654 5.244 1.00 0.00 H new ATOM 0 HA ALA A 55 5.156 2.906 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.474 1.673 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.172 0.798 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.617 0.276 2.910 1.00 0.00 H new ATOM 885 N PHE A 56 3.411 3.655 2.631 1.00 0.00 N ATOM 886 CA PHE A 56 2.284 4.274 1.941 1.00 0.00 C ATOM 887 C PHE A 56 2.688 4.735 0.544 1.00 0.00 C ATOM 888 O PHE A 56 3.545 5.605 0.390 1.00 0.00 O ATOM 889 CB PHE A 56 1.755 5.460 2.750 1.00 0.00 C ATOM 890 CG PHE A 56 1.625 5.175 4.218 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.731 5.232 5.051 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.395 4.849 4.767 1.00 0.00 C ATOM 893 CE1 PHE A 56 2.613 4.970 6.402 1.00 0.00 C ATOM 894 CE2 PHE A 56 0.270 4.586 6.118 1.00 0.00 C ATOM 895 CZ PHE A 56 1.381 4.646 6.937 1.00 0.00 C ATOM 0 H PHE A 56 4.313 4.090 2.439 1.00 0.00 H new ATOM 0 HA PHE A 56 1.495 3.529 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.422 6.311 2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.781 5.752 2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.697 5.484 4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.477 4.800 4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.483 5.018 7.040 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.695 4.334 6.533 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.287 4.440 7.993 1.00 0.00 H new ATOM 905 N ILE A 57 2.064 4.145 -0.470 1.00 0.00 N ATOM 906 CA ILE A 57 2.357 4.495 -1.854 1.00 0.00 C ATOM 907 C ILE A 57 1.289 5.422 -2.425 1.00 0.00 C ATOM 908 O ILE A 57 0.093 5.178 -2.267 1.00 0.00 O ATOM 909 CB ILE A 57 2.460 3.241 -2.742 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.750 2.477 -2.437 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.401 3.627 -4.212 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.650 0.991 -2.703 1.00 0.00 C ATOM 0 H ILE A 57 1.353 3.423 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 57 3.318 5.009 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 57 1.614 2.589 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.559 2.892 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.017 2.634 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.475 2.730 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.457 4.131 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.229 4.297 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.601 0.514 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.863 0.562 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.414 0.825 -3.754 1.00 0.00 H new ATOM 924 N GLU A 58 1.730 6.486 -3.088 1.00 0.00 N ATOM 925 CA GLU A 58 0.811 7.449 -3.683 1.00 0.00 C ATOM 926 C GLU A 58 0.746 7.275 -5.198 1.00 0.00 C ATOM 927 O GLU A 58 1.759 7.375 -5.889 1.00 0.00 O ATOM 928 CB GLU A 58 1.243 8.877 -3.341 1.00 0.00 C ATOM 929 CG GLU A 58 0.232 9.933 -3.755 1.00 0.00 C ATOM 930 CD GLU A 58 -0.050 10.934 -2.652 1.00 0.00 C ATOM 931 OE1 GLU A 58 0.148 10.587 -1.469 1.00 0.00 O ATOM 932 OE2 GLU A 58 -0.471 12.066 -2.972 1.00 0.00 O ATOM 0 H GLU A 58 2.717 6.703 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.182 7.268 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.412 8.949 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.195 9.086 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.603 10.461 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.699 9.446 -4.045 1.00 0.00 H new ATOM 939 N MET A 59 -0.453 7.012 -5.706 1.00 0.00 N ATOM 940 CA MET A 59 -0.652 6.824 -7.138 1.00 0.00 C ATOM 941 C MET A 59 -1.070 8.131 -7.805 1.00 0.00 C ATOM 942 O MET A 59 -1.835 8.911 -7.238 1.00 0.00 O ATOM 943 CB MET A 59 -1.709 5.748 -7.392 1.00 0.00 C ATOM 944 CG MET A 59 -1.375 4.408 -6.756 1.00 0.00 C ATOM 945 SD MET A 59 0.154 3.696 -7.395 1.00 0.00 S ATOM 946 CE MET A 59 -0.406 3.055 -8.971 1.00 0.00 C ATOM 0 H MET A 59 -1.302 6.924 -5.147 1.00 0.00 H new ATOM 0 HA MET A 59 0.295 6.502 -7.571 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.668 6.095 -7.008 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.826 5.612 -8.467 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.289 4.534 -5.677 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.196 3.713 -6.931 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.424 2.567 -9.481 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.206 2.333 -8.807 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.778 3.875 -9.586 1.00 0.00 H new ATOM 956 N ALA A 60 -0.563 8.364 -9.012 1.00 0.00 N ATOM 957 CA ALA A 60 -0.886 9.575 -9.755 1.00 0.00 C ATOM 958 C ALA A 60 -2.392 9.710 -9.958 1.00 0.00 C ATOM 959 O ALA A 60 -2.886 10.776 -10.326 1.00 0.00 O ATOM 960 CB ALA A 60 -0.169 9.577 -11.098 1.00 0.00 C ATOM 0 H ALA A 60 0.073 7.730 -9.495 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.546 10.431 -9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.419 10.487 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.908 9.536 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.482 8.709 -11.679 1.00 0.00 H new ATOM 966 N THR A 61 -3.117 8.622 -9.716 1.00 0.00 N ATOM 967 CA THR A 61 -4.566 8.619 -9.873 1.00 0.00 C ATOM 968 C THR A 61 -5.227 7.708 -8.846 1.00 0.00 C ATOM 969 O THR A 61 -4.878 6.534 -8.724 1.00 0.00 O ATOM 970 CB THR A 61 -4.976 8.164 -11.286 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.582 6.804 -11.497 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.342 9.051 -12.346 1.00 0.00 C ATOM 0 H THR A 61 -2.724 7.732 -9.411 1.00 0.00 H new ATOM 0 HA THR A 61 -4.904 9.643 -9.717 1.00 0.00 H new ATOM 0 HB THR A 61 -6.060 8.245 -11.369 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.608 6.729 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.646 8.710 -13.335 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.668 10.081 -12.201 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.256 8.999 -12.262 1.00 0.00 H new ATOM 980 N THR A 62 -6.188 8.256 -8.107 1.00 0.00 N ATOM 981 CA THR A 62 -6.899 7.493 -7.089 1.00 0.00 C ATOM 982 C THR A 62 -7.435 6.184 -7.659 1.00 0.00 C ATOM 983 O THR A 62 -7.548 5.188 -6.946 1.00 0.00 O ATOM 984 CB THR A 62 -8.070 8.300 -6.498 1.00 0.00 C ATOM 985 OG1 THR A 62 -8.746 7.525 -5.501 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.053 8.704 -7.586 1.00 0.00 C ATOM 0 H THR A 62 -6.491 9.226 -8.195 1.00 0.00 H new ATOM 0 HA THR A 62 -6.182 7.276 -6.298 1.00 0.00 H new ATOM 0 HB THR A 62 -7.665 9.204 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.425 7.784 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.871 9.273 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.543 9.319 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.451 7.810 -8.067 1.00 0.00 H new ATOM 994 N GLU A 63 -7.763 6.194 -8.946 1.00 0.00 N ATOM 995 CA GLU A 63 -8.287 5.006 -9.610 1.00 0.00 C ATOM 996 C GLU A 63 -7.295 3.850 -9.521 1.00 0.00 C ATOM 997 O GLU A 63 -7.684 2.695 -9.360 1.00 0.00 O ATOM 998 CB GLU A 63 -8.603 5.311 -11.076 1.00 0.00 C ATOM 999 CG GLU A 63 -10.090 5.412 -11.370 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.608 4.231 -12.167 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.484 3.087 -11.684 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.139 4.453 -13.277 1.00 0.00 O ATOM 0 H GLU A 63 -7.675 7.011 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.206 4.713 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.122 6.248 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.170 4.531 -11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.639 5.480 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.286 6.332 -11.921 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.010 4.173 -9.628 1.00 0.00 N ATOM 1010 CA ASP A 64 -4.960 3.162 -9.560 1.00 0.00 C ATOM 1011 C ASP A 64 -4.874 2.562 -8.160 1.00 0.00 C ATOM 1012 O ASP A 64 -5.115 1.371 -7.969 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.613 3.770 -9.952 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.604 4.291 -11.376 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.455 3.846 -12.176 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.748 5.144 -11.691 1.00 0.00 O ATOM 0 H ASP A 64 -5.671 5.126 -9.762 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.209 2.366 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.373 4.585 -9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.832 3.018 -9.838 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.527 3.396 -7.185 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.409 2.948 -5.803 1.00 0.00 C ATOM 1023 C ALA A 65 -5.635 2.143 -5.381 1.00 0.00 C ATOM 1024 O ALA A 65 -5.511 1.017 -4.900 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.214 4.139 -4.877 1.00 0.00 C ATOM 0 H ALA A 65 -4.323 4.385 -7.327 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.537 2.299 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.127 3.790 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.306 4.672 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.069 4.810 -4.962 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.813 2.728 -5.565 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.060 2.065 -5.201 1.00 0.00 C ATOM 1033 C GLN A 66 -8.109 0.651 -5.770 1.00 0.00 C ATOM 1034 O GLN A 66 -8.540 -0.285 -5.095 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.258 2.872 -5.704 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.546 4.114 -4.874 1.00 0.00 C ATOM 1037 CD GLN A 66 -10.944 4.654 -5.101 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -11.862 3.910 -5.446 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.114 5.956 -4.905 1.00 0.00 N ATOM 0 H GLN A 66 -6.931 3.659 -5.964 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.105 2.002 -4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.078 3.169 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.141 2.233 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.418 3.878 -3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.817 4.887 -5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.325 6.536 -4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.033 6.376 -5.040 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.669 0.503 -7.014 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.661 -0.797 -7.673 1.00 0.00 C ATOM 1050 C ALA A 67 -6.698 -1.757 -6.982 1.00 0.00 C ATOM 1051 O ALA A 67 -7.006 -2.935 -6.800 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.294 -0.643 -9.141 1.00 0.00 C ATOM 0 H ALA A 67 -7.313 1.268 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.664 -1.218 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.292 -1.622 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.024 0.000 -9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.303 -0.197 -9.223 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.531 -1.246 -6.603 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.524 -2.058 -5.931 1.00 0.00 C ATOM 1060 C ALA A 68 -5.095 -2.717 -4.680 1.00 0.00 C ATOM 1061 O ALA A 68 -4.582 -3.734 -4.213 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.312 -1.209 -5.578 1.00 0.00 C ATOM 0 H ALA A 68 -5.260 -0.274 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.213 -2.848 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.568 -1.828 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.883 -0.791 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.616 -0.399 -4.915 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.159 -2.131 -4.141 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.800 -2.661 -2.943 1.00 0.00 C ATOM 1070 C VAL A 69 -7.754 -3.798 -3.288 1.00 0.00 C ATOM 1071 O VAL A 69 -7.789 -4.822 -2.605 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.576 -1.565 -2.190 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.402 -2.172 -1.066 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.621 -0.511 -1.651 1.00 0.00 C ATOM 0 H VAL A 69 -6.596 -1.289 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.005 -3.040 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.258 -1.081 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.943 -1.382 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.113 -2.886 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.742 -2.683 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.187 0.256 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.913 -0.978 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.078 -0.055 -2.479 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.525 -3.613 -4.354 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.480 -4.624 -4.792 1.00 0.00 C ATOM 1086 C ASP A 70 -8.771 -5.935 -5.120 1.00 0.00 C ATOM 1087 O ASP A 70 -9.403 -6.988 -5.215 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.255 -4.130 -6.014 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.753 -4.291 -5.854 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.283 -3.900 -4.791 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.399 -4.807 -6.789 1.00 0.00 O ATOM 0 H ASP A 70 -8.507 -2.772 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.180 -4.804 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.022 -3.079 -6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.926 -4.680 -6.896 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.456 -5.862 -5.293 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.662 -7.043 -5.614 1.00 0.00 C ATOM 1098 C TYR A 71 -6.249 -7.784 -4.346 1.00 0.00 C ATOM 1099 O TYR A 71 -5.891 -8.961 -4.389 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.419 -6.644 -6.413 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.263 -7.607 -6.254 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.309 -8.876 -6.818 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.127 -7.248 -5.540 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.256 -9.759 -6.676 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.069 -8.123 -5.394 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.138 -9.378 -5.963 1.00 0.00 C ATOM 1107 OH TYR A 71 -1.087 -10.255 -5.819 1.00 0.00 O ATOM 0 H TYR A 71 -6.918 -4.999 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.277 -7.710 -6.218 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.682 -6.576 -7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.099 -5.650 -6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.183 -9.177 -7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.070 -6.267 -5.091 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.308 -10.742 -7.121 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.192 -7.827 -4.837 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.378 -9.832 -5.291 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.303 -7.085 -3.217 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.934 -7.675 -1.936 1.00 0.00 C ATOM 1119 C TYR A 72 -7.132 -8.364 -1.289 1.00 0.00 C ATOM 1120 O TYR A 72 -6.977 -9.309 -0.514 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.381 -6.602 -0.998 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.677 -6.861 0.462 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.837 -7.658 1.230 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.798 -6.312 1.073 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.104 -7.899 2.564 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.073 -6.547 2.406 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.224 -7.341 3.147 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.494 -7.578 4.476 1.00 0.00 O ATOM 0 H TYR A 72 -6.598 -6.110 -3.163 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.162 -8.423 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.302 -6.534 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.800 -5.636 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.960 -8.097 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.466 -5.691 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.440 -8.520 3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.948 -6.111 2.865 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.318 -7.112 4.731 1.00 0.00 H new ATOM 1138 N THR A 73 -8.329 -7.884 -1.612 1.00 0.00 N ATOM 1139 CA THR A 73 -9.554 -8.452 -1.062 1.00 0.00 C ATOM 1140 C THR A 73 -9.927 -9.747 -1.776 1.00 0.00 C ATOM 1141 O THR A 73 -10.515 -10.649 -1.178 1.00 0.00 O ATOM 1142 CB THR A 73 -10.729 -7.462 -1.170 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.861 -7.967 -0.453 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.107 -7.226 -2.625 1.00 0.00 C ATOM 0 H THR A 73 -8.476 -7.103 -2.252 1.00 0.00 H new ATOM 0 HA THR A 73 -9.362 -8.663 -0.010 1.00 0.00 H new ATOM 0 HB THR A 73 -10.417 -6.513 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.604 -7.332 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.939 -6.524 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.252 -6.815 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.402 -8.171 -3.082 1.00 0.00 H new ATOM 1152 N THR A 74 -9.583 -9.831 -3.057 1.00 0.00 N ATOM 1153 CA THR A 74 -9.883 -11.015 -3.852 1.00 0.00 C ATOM 1154 C THR A 74 -8.696 -11.971 -3.883 1.00 0.00 C ATOM 1155 O THR A 74 -8.867 -13.187 -3.991 1.00 0.00 O ATOM 1156 CB THR A 74 -10.265 -10.641 -5.297 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.334 -9.684 -5.816 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.673 -10.069 -5.354 1.00 0.00 C ATOM 0 H THR A 74 -9.096 -9.093 -3.566 1.00 0.00 H new ATOM 0 HA THR A 74 -10.731 -11.508 -3.377 1.00 0.00 H new ATOM 0 HB THR A 74 -10.233 -11.546 -5.904 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.562 -8.791 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.920 -9.812 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.382 -10.810 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.728 -9.174 -4.734 1.00 0.00 H new ATOM 1166 N THR A 75 -7.492 -11.417 -3.787 1.00 0.00 N ATOM 1167 CA THR A 75 -6.276 -12.221 -3.805 1.00 0.00 C ATOM 1168 C THR A 75 -5.322 -11.798 -2.693 1.00 0.00 C ATOM 1169 O THR A 75 -5.140 -10.612 -2.415 1.00 0.00 O ATOM 1170 CB THR A 75 -5.550 -12.110 -5.159 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.391 -12.603 -6.208 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.245 -12.892 -5.138 1.00 0.00 C ATOM 0 H THR A 75 -7.332 -10.414 -3.696 1.00 0.00 H new ATOM 0 HA THR A 75 -6.578 -13.256 -3.647 1.00 0.00 H new ATOM 0 HB THR A 75 -5.323 -11.059 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.923 -12.527 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.750 -12.799 -6.105 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.596 -12.495 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.454 -13.943 -4.937 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.697 -12.790 -2.041 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.749 -12.545 -0.950 1.00 0.00 C ATOM 1182 C PRO A 76 -2.450 -11.916 -1.440 1.00 0.00 C ATOM 1183 O PRO A 76 -1.755 -12.481 -2.283 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.487 -13.945 -0.388 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.764 -14.867 -1.525 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.866 -14.226 -2.320 1.00 0.00 C ATOM 0 HA PRO A 76 -4.145 -11.843 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.460 -14.045 -0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.135 -14.158 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.874 -15.010 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.064 -15.851 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.772 -14.442 -3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.847 -14.583 -2.007 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.128 -10.742 -0.907 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.911 -10.037 -1.289 1.00 0.00 C ATOM 1196 C ALA A 77 0.288 -10.540 -0.491 1.00 0.00 C ATOM 1197 O ALA A 77 0.613 -9.999 0.567 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.085 -8.539 -1.095 1.00 0.00 C ATOM 0 H ALA A 77 -2.694 -10.259 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.722 -10.236 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.168 -8.026 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.910 -8.185 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.302 -8.331 -0.047 1.00 0.00 H new ATOM 1204 N LEU A 78 0.941 -11.578 -1.003 1.00 0.00 N ATOM 1205 CA LEU A 78 2.104 -12.154 -0.338 1.00 0.00 C ATOM 1206 C LEU A 78 3.369 -11.371 -0.676 1.00 0.00 C ATOM 1207 O LEU A 78 3.876 -11.444 -1.796 1.00 0.00 O ATOM 1208 CB LEU A 78 2.274 -13.618 -0.742 1.00 0.00 C ATOM 1209 CG LEU A 78 1.134 -14.560 -0.349 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.481 -15.997 -0.709 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.832 -14.439 1.138 1.00 0.00 C ATOM 0 H LEU A 78 0.684 -12.038 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 78 1.941 -12.097 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.399 -13.663 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.197 -13.992 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 78 0.242 -14.273 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.659 -16.653 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.648 -16.073 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.385 -16.296 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.019 -15.116 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.721 -14.700 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.540 -13.414 1.368 1.00 0.00 H new ATOM 1223 N VAL A 79 3.875 -10.623 0.300 1.00 0.00 N ATOM 1224 CA VAL A 79 5.082 -9.829 0.106 1.00 0.00 C ATOM 1225 C VAL A 79 6.319 -10.586 0.575 1.00 0.00 C ATOM 1226 O VAL A 79 6.418 -10.978 1.738 1.00 0.00 O ATOM 1227 CB VAL A 79 4.999 -8.488 0.860 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.262 -7.671 0.637 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.767 -7.709 0.425 1.00 0.00 C ATOM 0 H VAL A 79 3.468 -10.551 1.232 1.00 0.00 H new ATOM 0 HA VAL A 79 5.163 -9.633 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 79 4.913 -8.695 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.185 -6.727 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.125 -8.228 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.383 -7.471 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.724 -6.764 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.821 -7.511 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.872 -8.293 0.641 1.00 0.00 H new ATOM 1239 N PHE A 80 7.263 -10.791 -0.338 1.00 0.00 N ATOM 1240 CA PHE A 80 8.494 -11.503 -0.019 1.00 0.00 C ATOM 1241 C PHE A 80 8.208 -12.966 0.308 1.00 0.00 C ATOM 1242 O PHE A 80 9.108 -13.716 0.682 1.00 0.00 O ATOM 1243 CB PHE A 80 9.204 -10.834 1.160 1.00 0.00 C ATOM 1244 CG PHE A 80 10.329 -9.928 0.747 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.289 -10.360 -0.153 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.427 -8.645 1.261 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.326 -9.529 -0.536 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.462 -7.810 0.884 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.412 -8.254 -0.015 1.00 0.00 C ATOM 0 H PHE A 80 7.198 -10.474 -1.305 1.00 0.00 H new ATOM 0 HA PHE A 80 9.143 -11.465 -0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.477 -10.259 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.594 -11.605 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.227 -11.358 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.686 -8.293 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.067 -9.877 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.528 -6.812 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.222 -7.603 -0.310 1.00 0.00 H new ATOM 1259 N GLY A 81 6.947 -13.362 0.164 1.00 0.00 N ATOM 1260 CA GLY A 81 6.564 -14.732 0.449 1.00 0.00 C ATOM 1261 C GLY A 81 5.540 -14.829 1.563 1.00 0.00 C ATOM 1262 O GLY A 81 4.837 -15.832 1.685 1.00 0.00 O ATOM 0 H GLY A 81 6.185 -12.759 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.158 -15.188 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.450 -15.304 0.724 1.00 0.00 H new ATOM 1266 N LYS A 82 5.456 -13.784 2.378 1.00 0.00 N ATOM 1267 CA LYS A 82 4.512 -13.753 3.488 1.00 0.00 C ATOM 1268 C LYS A 82 3.372 -12.780 3.207 1.00 0.00 C ATOM 1269 O LYS A 82 3.547 -11.755 2.547 1.00 0.00 O ATOM 1270 CB LYS A 82 5.226 -13.356 4.783 1.00 0.00 C ATOM 1271 CG LYS A 82 5.994 -12.049 4.677 1.00 0.00 C ATOM 1272 CD LYS A 82 7.460 -12.288 4.356 1.00 0.00 C ATOM 1273 CE LYS A 82 8.288 -11.031 4.569 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.750 -11.320 4.555 1.00 0.00 N ATOM 0 H LYS A 82 6.031 -12.946 2.291 1.00 0.00 H new ATOM 0 HA LYS A 82 4.094 -14.753 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.490 -13.272 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.915 -14.151 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.548 -11.426 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.911 -11.500 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.845 -13.090 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.558 -12.619 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.054 -10.306 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.017 -10.575 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.254 -10.538 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.093 -11.421 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.924 -12.203 4.034 1.00 0.00 H new ATOM 1288 N PRO A 83 2.175 -13.105 3.718 1.00 0.00 N ATOM 1289 CA PRO A 83 0.983 -12.272 3.535 1.00 0.00 C ATOM 1290 C PRO A 83 1.068 -10.961 4.310 1.00 0.00 C ATOM 1291 O PRO A 83 1.708 -10.890 5.360 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.148 -13.145 4.082 1.00 0.00 C ATOM 1293 CG PRO A 83 0.514 -14.057 5.057 1.00 0.00 C ATOM 1294 CD PRO A 83 1.893 -14.312 4.514 1.00 0.00 C ATOM 0 HA PRO A 83 0.847 -11.978 2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.917 -12.541 4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.636 -13.705 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.562 -13.602 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.043 -14.988 5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.621 -14.445 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.923 -15.213 3.902 1.00 0.00 H new ATOM 1302 N VAL A 84 0.416 -9.927 3.788 1.00 0.00 N ATOM 1303 CA VAL A 84 0.417 -8.619 4.432 1.00 0.00 C ATOM 1304 C VAL A 84 -0.953 -7.960 4.338 1.00 0.00 C ATOM 1305 O VAL A 84 -1.919 -8.572 3.880 1.00 0.00 O ATOM 1306 CB VAL A 84 1.469 -7.685 3.805 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.867 -8.259 3.983 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.162 -7.449 2.334 1.00 0.00 C ATOM 0 H VAL A 84 -0.120 -9.970 2.921 1.00 0.00 H new ATOM 0 HA VAL A 84 0.667 -8.782 5.480 1.00 0.00 H new ATOM 0 HB VAL A 84 1.430 -6.724 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.597 -7.585 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.082 -8.370 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.925 -9.233 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.915 -6.787 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.172 -8.401 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.178 -6.990 2.237 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.033 -6.705 4.772 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.286 -5.962 4.736 1.00 0.00 C ATOM 1320 C ARG A 85 -2.200 -4.798 3.753 1.00 0.00 C ATOM 1321 O ARG A 85 -1.170 -4.130 3.655 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.634 -5.441 6.132 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.400 -6.441 6.982 1.00 0.00 C ATOM 1324 CD ARG A 85 -4.425 -5.750 7.867 1.00 0.00 C ATOM 1325 NE ARG A 85 -4.437 -6.296 9.221 1.00 0.00 N ATOM 1326 CZ ARG A 85 -3.370 -6.320 10.013 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -2.214 -5.830 9.587 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -3.459 -6.833 11.233 1.00 0.00 N ATOM 0 H ARG A 85 -0.244 -6.183 5.153 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.072 -6.639 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.714 -5.168 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.227 -4.531 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.902 -7.161 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.702 -7.003 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.207 -4.683 7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.416 -5.856 7.425 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.312 -6.680 9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.142 -5.434 8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.396 -5.849 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.347 -7.210 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.639 -6.851 11.840 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.288 -4.561 3.028 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.336 -3.478 2.053 1.00 0.00 C ATOM 1344 C VAL A 86 -4.624 -2.673 2.189 1.00 0.00 C ATOM 1345 O VAL A 86 -5.722 -3.202 2.015 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.229 -4.014 0.613 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.526 -2.910 -0.391 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.852 -4.612 0.369 1.00 0.00 C ATOM 0 H VAL A 86 -4.148 -5.104 3.097 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.483 -2.831 2.256 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.971 -4.802 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.446 -3.307 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.535 -2.532 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.810 -2.098 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.794 -4.986 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.091 -3.846 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.683 -5.433 1.066 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.481 -1.389 2.502 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.634 -0.509 2.661 1.00 0.00 C ATOM 1360 C HIS A 87 -5.485 0.741 1.798 1.00 0.00 C ATOM 1361 O HIS A 87 -4.398 1.044 1.306 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.802 -0.112 4.128 1.00 0.00 C ATOM 1363 CG HIS A 87 -5.958 -1.282 5.050 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.543 -1.265 6.366 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.492 -2.508 4.841 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.812 -2.432 6.924 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.389 -3.204 6.021 1.00 0.00 N ATOM 0 H HIS A 87 -3.580 -0.935 2.650 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.522 -1.052 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.936 0.473 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.674 0.534 4.224 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.920 -2.872 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.597 -2.708 7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.706 -4.161 6.175 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.586 1.463 1.618 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.579 2.680 0.814 1.00 0.00 C ATOM 1377 C LEU A 88 -6.705 3.917 1.696 1.00 0.00 C ATOM 1378 O LEU A 88 -7.804 4.426 1.918 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.720 2.649 -0.204 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.447 3.341 -1.540 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.418 4.851 -1.364 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.139 2.846 -2.140 1.00 0.00 C ATOM 0 H LEU A 88 -7.494 1.227 2.018 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.628 2.729 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.975 1.608 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.597 3.111 0.249 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.256 3.092 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.222 5.326 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.380 5.191 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.631 5.120 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.961 3.349 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.319 3.063 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.198 1.770 -2.305 1.00 0.00 H new ATOM 1394 N SER A 89 -5.572 4.397 2.198 1.00 0.00 N ATOM 1395 CA SER A 89 -5.554 5.574 3.059 1.00 0.00 C ATOM 1396 C SER A 89 -5.565 6.855 2.229 1.00 0.00 C ATOM 1397 O SER A 89 -5.668 6.811 1.003 1.00 0.00 O ATOM 1398 CB SER A 89 -4.323 5.552 3.966 1.00 0.00 C ATOM 1399 OG SER A 89 -4.569 4.795 5.140 1.00 0.00 O ATOM 0 H SER A 89 -4.654 3.989 2.023 1.00 0.00 H new ATOM 0 HA SER A 89 -6.452 5.554 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.477 5.127 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.049 6.571 4.237 1.00 0.00 H new ATOM 0 HG SER A 89 -3.767 4.794 5.703 1.00 0.00 H new ATOM 1405 N GLN A 90 -5.458 7.993 2.906 1.00 0.00 N ATOM 1406 CA GLN A 90 -5.456 9.286 2.233 1.00 0.00 C ATOM 1407 C GLN A 90 -4.777 10.348 3.093 1.00 0.00 C ATOM 1408 O GLN A 90 -5.377 11.371 3.423 1.00 0.00 O ATOM 1409 CB GLN A 90 -6.886 9.716 1.905 1.00 0.00 C ATOM 1410 CG GLN A 90 -7.760 9.910 3.133 1.00 0.00 C ATOM 1411 CD GLN A 90 -7.583 8.806 4.156 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -6.756 8.911 5.063 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -8.360 7.738 4.016 1.00 0.00 N ATOM 0 H GLN A 90 -5.371 8.046 3.921 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.893 9.183 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.856 10.648 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.343 8.966 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.524 10.869 3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.805 9.952 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.032 7.693 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.285 6.963 4.675 1.00 0.00 H new ATOM 1422 N LYS A 91 -3.523 10.096 3.454 1.00 0.00 N ATOM 1423 CA LYS A 91 -2.762 11.030 4.276 1.00 0.00 C ATOM 1424 C LYS A 91 -1.453 11.412 3.594 1.00 0.00 C ATOM 1425 O LYS A 91 -1.189 11.004 2.462 1.00 0.00 O ATOM 1426 CB LYS A 91 -2.476 10.417 5.648 1.00 0.00 C ATOM 1427 CG LYS A 91 -3.165 11.138 6.793 1.00 0.00 C ATOM 1428 CD LYS A 91 -2.214 11.379 7.954 1.00 0.00 C ATOM 1429 CE LYS A 91 -2.006 10.116 8.775 1.00 0.00 C ATOM 1430 NZ LYS A 91 -1.686 10.425 10.196 1.00 0.00 N ATOM 0 H LYS A 91 -3.012 9.253 3.190 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.360 11.932 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.793 9.374 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.400 10.422 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.558 12.091 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.016 10.549 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.254 11.729 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.610 12.168 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.905 9.502 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.197 9.529 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.551 9.538 10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.814 10.990 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.469 10.963 10.619 1.00 0.00 H new ATOM 1444 N TYR A 92 -0.636 12.195 4.289 1.00 0.00 N ATOM 1445 CA TYR A 92 0.646 12.632 3.750 1.00 0.00 C ATOM 1446 C TYR A 92 0.457 13.385 2.436 1.00 0.00 C ATOM 1447 O TYR A 92 0.865 12.916 1.373 1.00 0.00 O ATOM 1448 CB TYR A 92 1.569 11.431 3.534 1.00 0.00 C ATOM 1449 CG TYR A 92 1.800 10.613 4.784 1.00 0.00 C ATOM 1450 CD1 TYR A 92 1.577 11.155 6.044 1.00 0.00 C ATOM 1451 CD2 TYR A 92 2.245 9.299 4.706 1.00 0.00 C ATOM 1452 CE1 TYR A 92 1.787 10.411 7.189 1.00 0.00 C ATOM 1453 CE2 TYR A 92 2.456 8.547 5.846 1.00 0.00 C ATOM 1454 CZ TYR A 92 2.226 9.107 7.084 1.00 0.00 C ATOM 1455 OH TYR A 92 2.437 8.363 8.222 1.00 0.00 O ATOM 0 H TYR A 92 -0.839 12.540 5.227 1.00 0.00 H new ATOM 0 HA TYR A 92 1.103 13.308 4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.142 10.789 2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.529 11.784 3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.234 12.175 6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.429 8.858 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.609 10.847 8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.799 7.526 5.767 1.00 0.00 H new ATOM 0 HH TYR A 92 2.744 7.466 7.974 1.00 0.00 H new ATOM 1465 N LYS A 93 -0.164 14.557 2.518 1.00 0.00 N ATOM 1466 CA LYS A 93 -0.407 15.378 1.338 1.00 0.00 C ATOM 1467 C LYS A 93 0.899 15.690 0.614 1.00 0.00 C ATOM 1468 O LYS A 93 1.738 16.433 1.123 1.00 0.00 O ATOM 1469 CB LYS A 93 -1.108 16.679 1.733 1.00 0.00 C ATOM 1470 CG LYS A 93 -2.442 16.466 2.429 1.00 0.00 C ATOM 1471 CD LYS A 93 -2.421 16.999 3.850 1.00 0.00 C ATOM 1472 CE LYS A 93 -3.772 16.832 4.529 1.00 0.00 C ATOM 1473 NZ LYS A 93 -3.771 17.382 5.913 1.00 0.00 N ATOM 0 H LYS A 93 -0.508 14.960 3.390 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.051 14.817 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.452 17.250 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.267 17.282 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.231 16.963 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.681 15.403 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.657 16.476 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.146 18.054 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.539 17.334 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.035 15.775 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.710 17.248 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.057 16.885 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.546 18.397 5.883 1.00 0.00 H new ATOM 1487 N ARG A 94 1.061 15.121 -0.576 1.00 0.00 N ATOM 1488 CA ARG A 94 2.265 15.339 -1.369 1.00 0.00 C ATOM 1489 C ARG A 94 3.490 14.764 -0.667 1.00 0.00 C ATOM 1490 O ARG A 94 4.241 15.489 -0.014 1.00 0.00 O ATOM 1491 CB ARG A 94 2.466 16.833 -1.628 1.00 0.00 C ATOM 1492 CG ARG A 94 1.918 17.299 -2.967 1.00 0.00 C ATOM 1493 CD ARG A 94 2.989 17.989 -3.797 1.00 0.00 C ATOM 1494 NE ARG A 94 2.598 18.115 -5.199 1.00 0.00 N ATOM 1495 CZ ARG A 94 3.402 18.584 -6.147 1.00 0.00 C ATOM 1496 NH1 ARG A 94 4.633 18.971 -5.844 1.00 0.00 N ATOM 1497 NH2 ARG A 94 2.974 18.668 -7.400 1.00 0.00 N ATOM 0 H ARG A 94 0.374 14.506 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 94 2.140 14.825 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.984 17.399 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.531 17.061 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.524 16.445 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.086 17.984 -2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.185 18.979 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 94 3.919 17.425 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 94 1.656 17.827 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.965 18.909 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.249 19.331 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.027 18.372 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.592 19.028 -8.127 1.00 0.00 H new ATOM 1511 N ILE A 95 3.687 13.457 -0.806 1.00 0.00 N ATOM 1512 CA ILE A 95 4.822 12.785 -0.186 1.00 0.00 C ATOM 1513 C ILE A 95 6.128 13.160 -0.878 1.00 0.00 C ATOM 1514 O ILE A 95 6.270 12.999 -2.090 1.00 0.00 O ATOM 1515 CB ILE A 95 4.657 11.254 -0.221 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.458 10.829 0.629 1.00 0.00 C ATOM 1517 CG2 ILE A 95 5.927 10.574 0.269 1.00 0.00 C ATOM 1518 CD1 ILE A 95 3.001 9.412 0.363 1.00 0.00 C ATOM 0 H ILE A 95 3.075 12.842 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 95 4.856 13.115 0.852 1.00 0.00 H new ATOM 0 HB ILE A 95 4.476 10.946 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.717 10.927 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.629 11.511 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.796 9.492 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.762 10.856 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.135 10.886 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.148 9.179 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.710 9.314 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.815 8.720 0.579 1.00 0.00 H new ATOM 1530 N LYS A 96 7.081 13.660 -0.098 1.00 0.00 N ATOM 1531 CA LYS A 96 8.378 14.056 -0.633 1.00 0.00 C ATOM 1532 C LYS A 96 9.232 14.718 0.444 1.00 0.00 C ATOM 1533 O LYS A 96 10.460 14.627 0.418 1.00 0.00 O ATOM 1534 CB LYS A 96 8.195 15.013 -1.813 1.00 0.00 C ATOM 1535 CG LYS A 96 7.078 16.023 -1.611 1.00 0.00 C ATOM 1536 CD LYS A 96 7.433 17.374 -2.206 1.00 0.00 C ATOM 1537 CE LYS A 96 6.387 18.425 -1.867 1.00 0.00 C ATOM 1538 NZ LYS A 96 6.967 19.555 -1.090 1.00 0.00 N ATOM 0 H LYS A 96 6.979 13.800 0.907 1.00 0.00 H new ATOM 0 HA LYS A 96 8.891 13.158 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.129 15.547 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.990 14.432 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.163 15.651 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.876 16.135 -0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.406 17.693 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.522 17.284 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.944 18.807 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.583 17.965 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.222 20.250 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.367 19.195 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.717 20.011 -1.648 1.00 0.00 H new ATOM 1552 N SER A 97 8.575 15.381 1.390 1.00 0.00 N ATOM 1553 CA SER A 97 9.275 16.058 2.474 1.00 0.00 C ATOM 1554 C SER A 97 10.129 15.074 3.268 1.00 0.00 C ATOM 1555 O SER A 97 11.355 15.178 3.292 1.00 0.00 O ATOM 1556 CB SER A 97 8.273 16.747 3.404 1.00 0.00 C ATOM 1557 OG SER A 97 8.510 18.143 3.463 1.00 0.00 O ATOM 0 H SER A 97 7.559 15.464 1.427 1.00 0.00 H new ATOM 0 HA SER A 97 9.931 16.810 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.258 16.562 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.347 16.320 4.404 1.00 0.00 H new ATOM 0 HG SER A 97 7.856 18.561 4.062 1.00 0.00 H new ATOM 1563 N GLY A 98 9.471 14.120 3.918 1.00 0.00 N ATOM 1564 CA GLY A 98 10.184 13.130 4.704 1.00 0.00 C ATOM 1565 C GLY A 98 9.940 13.286 6.193 1.00 0.00 C ATOM 1566 O GLY A 98 8.944 12.806 6.734 1.00 0.00 O ATOM 0 H GLY A 98 8.456 14.015 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.877 12.132 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.252 13.212 4.503 1.00 0.00 H new ATOM 1570 N PRO A 99 10.866 13.972 6.880 1.00 0.00 N ATOM 1571 CA PRO A 99 10.769 14.204 8.324 1.00 0.00 C ATOM 1572 C PRO A 99 9.647 15.173 8.681 1.00 0.00 C ATOM 1573 O PRO A 99 9.296 15.327 9.850 1.00 0.00 O ATOM 1574 CB PRO A 99 12.130 14.810 8.677 1.00 0.00 C ATOM 1575 CG PRO A 99 12.607 15.436 7.413 1.00 0.00 C ATOM 1576 CD PRO A 99 12.079 14.573 6.299 1.00 0.00 C ATOM 0 HA PRO A 99 10.539 13.289 8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.040 15.548 9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.824 14.046 9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.241 16.459 7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.696 15.484 7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.850 15.160 5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.802 13.813 6.002 1.00 0.00 H new ATOM 1584 N SER A 100 9.085 15.821 7.665 1.00 0.00 N ATOM 1585 CA SER A 100 8.004 16.777 7.873 1.00 0.00 C ATOM 1586 C SER A 100 8.552 18.132 8.313 1.00 0.00 C ATOM 1587 O SER A 100 8.944 18.310 9.466 1.00 0.00 O ATOM 1588 CB SER A 100 7.021 16.248 8.920 1.00 0.00 C ATOM 1589 OG SER A 100 5.686 16.580 8.579 1.00 0.00 O ATOM 0 H SER A 100 9.360 15.701 6.690 1.00 0.00 H new ATOM 0 HA SER A 100 7.481 16.907 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.120 15.166 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.265 16.666 9.897 1.00 0.00 H new ATOM 0 HG SER A 100 5.077 16.230 9.262 1.00 0.00 H new ATOM 1595 N SER A 101 8.577 19.082 7.384 1.00 0.00 N ATOM 1596 CA SER A 101 9.081 20.420 7.674 1.00 0.00 C ATOM 1597 C SER A 101 8.455 21.450 6.738 1.00 0.00 C ATOM 1598 O SER A 101 8.816 21.539 5.565 1.00 0.00 O ATOM 1599 CB SER A 101 10.606 20.454 7.542 1.00 0.00 C ATOM 1600 OG SER A 101 11.219 19.610 8.501 1.00 0.00 O ATOM 0 H SER A 101 8.255 18.951 6.425 1.00 0.00 H new ATOM 0 HA SER A 101 8.807 20.671 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.895 20.140 6.539 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.963 21.476 7.671 1.00 0.00 H new ATOM 0 HG SER A 101 12.193 19.648 8.395 1.00 0.00 H new ATOM 1606 N GLY A 102 7.516 22.228 7.266 1.00 0.00 N ATOM 1607 CA GLY A 102 6.855 23.241 6.466 1.00 0.00 C ATOM 1608 C GLY A 102 6.172 22.661 5.243 1.00 0.00 C ATOM 1609 O GLY A 102 5.151 21.984 5.357 1.00 0.00 O ATOM 0 H GLY A 102 7.201 22.175 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.117 23.759 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.587 23.985 6.151 1.00 0.00 H new TER 1613 GLY A 102