USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 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 93 THR OG1 : rot -62:sc= 1.61 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -171:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 80 ASN : amide:sc= -1.17 X(o=-9.9,f=-10) USER MOD Set 2.2: A 84 MET CE :methyl -126:sc= -8.74 (180deg=-13.9!) USER MOD Set 3.1: A 78 LYS NZ :NH3+ -155:sc= -1.87! (180deg=-3.55!) USER MOD Set 3.2: A 86 THR OG1 : rot -140:sc= -0.177 USER MOD Set 4.1: A 71 ASN :FLIP amide:sc= -3.91 F(o=-7.4!,f=-2.7) USER MOD Set 4.2: A 90 SER OG : rot -97:sc= 1.25 USER MOD Set 5.1: A 19 ASN :FLIP amide:sc= -0.202 F(o=-2.7!,f=0.038) USER MOD Set 5.2: A 57 LYS NZ :NH3+ -127:sc= 0.24 (180deg=-2.19!) USER MOD Set 6.1: A 35 SER OG : rot 150:sc= -0.413 USER MOD Set 6.2: A 38 ASN : amide:sc= -6.33! C(o=-6.7!,f=-10!) USER MOD Set 7.1: A 31 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 7.2: A 33 ASN : amide:sc= -3.14 X(o=-2.9,f=-3) USER MOD Set 7.3: A 36 LYS NZ :NH3+ -163:sc= 0.232 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 170:sc= -1.09! USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 21 SER OG : rot -176:sc= -3.4! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.687 K(o=0.69,f=-0.81) USER MOD Single : A 56 SER OG : rot -81:sc= 0.429 USER MOD Single : A 64 ASN : amide:sc= -1.06! X(o=-1.1!,f=-1.3) USER MOD Single : A 66 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.465 F(o=-1.9,f=-0.46) USER MOD Single : A 91 MET CE :methyl 160:sc= -3.92! (180deg=-5.56!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -5.23! C(o=-8.3!,f=-5.2!) USER MOD Single : A 100 MET CE :methyl -164:sc= -6.43 (180deg=-8.17!) USER MOD Single : A 102 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.8) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -7.097 -13.457 -10.444 1.00 0.00 N ATOM 2 CA GLY A 7 -5.691 -13.810 -10.451 1.00 0.00 C ATOM 3 C GLY A 7 -4.890 -12.886 -11.340 1.00 0.00 C ATOM 4 O GLY A 7 -3.868 -13.278 -11.904 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.300 -13.768 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.575 -14.838 -10.795 1.00 0.00 H new ATOM 8 N THR A 8 -5.371 -11.656 -11.473 1.00 0.00 N ATOM 9 CA THR A 8 -4.715 -10.661 -12.306 1.00 0.00 C ATOM 10 C THR A 8 -4.373 -9.414 -11.502 1.00 0.00 C ATOM 11 O THR A 8 -5.156 -8.967 -10.665 1.00 0.00 O ATOM 12 CB THR A 8 -5.606 -10.316 -13.498 1.00 0.00 C ATOM 13 OG1 THR A 8 -6.962 -10.617 -13.215 1.00 0.00 O ATOM 14 CG2 THR A 8 -5.226 -11.061 -14.757 1.00 0.00 C ATOM 0 H THR A 8 -6.218 -11.324 -11.011 1.00 0.00 H new ATOM 0 HA THR A 8 -3.779 -11.078 -12.677 1.00 0.00 H new ATOM 0 HB THR A 8 -5.466 -9.248 -13.667 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.534 -10.244 -13.918 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.896 -10.772 -15.567 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.200 -10.815 -15.030 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.308 -12.134 -14.584 1.00 0.00 H new ATOM 22 N ARG A 9 -3.187 -8.862 -11.757 1.00 0.00 N ATOM 23 CA ARG A 9 -2.725 -7.670 -11.053 1.00 0.00 C ATOM 24 C ARG A 9 -2.252 -6.606 -12.040 1.00 0.00 C ATOM 25 O ARG A 9 -1.976 -6.903 -13.201 1.00 0.00 O ATOM 26 CB ARG A 9 -1.590 -8.027 -10.094 1.00 0.00 C ATOM 27 CG ARG A 9 -1.939 -9.149 -9.132 1.00 0.00 C ATOM 28 CD ARG A 9 -0.753 -9.519 -8.255 1.00 0.00 C ATOM 29 NE ARG A 9 0.246 -10.296 -8.986 1.00 0.00 N ATOM 30 CZ ARG A 9 0.128 -11.597 -9.244 1.00 0.00 C ATOM 31 NH1 ARG A 9 -0.941 -12.269 -8.834 1.00 0.00 N ATOM 32 NH2 ARG A 9 1.082 -12.227 -9.916 1.00 0.00 N ATOM 0 H ARG A 9 -2.529 -9.223 -12.447 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.562 -7.268 -10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.713 -8.316 -10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.316 -7.141 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.776 -8.844 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.264 -10.024 -9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.293 -8.611 -7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.102 -10.093 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 9 1.082 -9.814 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.678 -11.789 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.025 -13.265 -9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.905 -11.715 -10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.993 -13.224 -10.114 1.00 0.00 H new ATOM 46 N GLU A 10 -2.158 -5.366 -11.567 1.00 0.00 N ATOM 47 CA GLU A 10 -1.714 -4.260 -12.409 1.00 0.00 C ATOM 48 C GLU A 10 -0.944 -3.226 -11.592 1.00 0.00 C ATOM 49 O GLU A 10 -1.418 -2.762 -10.555 1.00 0.00 O ATOM 50 CB GLU A 10 -2.912 -3.599 -13.093 1.00 0.00 C ATOM 51 CG GLU A 10 -4.017 -3.198 -12.130 1.00 0.00 C ATOM 52 CD GLU A 10 -5.006 -2.229 -12.749 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.561 -1.260 -13.396 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.226 -2.442 -12.585 1.00 0.00 O ATOM 0 H GLU A 10 -2.383 -5.103 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.046 -4.663 -13.171 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.571 -2.714 -13.630 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.320 -4.285 -13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.547 -4.091 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.574 -2.743 -11.244 1.00 0.00 H new ATOM 61 N PHE A 11 0.244 -2.868 -12.070 1.00 0.00 N ATOM 62 CA PHE A 11 1.080 -1.887 -11.386 1.00 0.00 C ATOM 63 C PHE A 11 0.539 -0.475 -11.592 1.00 0.00 C ATOM 64 O PHE A 11 0.014 -0.153 -12.659 1.00 0.00 O ATOM 65 CB PHE A 11 2.520 -1.969 -11.896 1.00 0.00 C ATOM 66 CG PHE A 11 3.313 -3.088 -11.281 1.00 0.00 C ATOM 67 CD1 PHE A 11 4.011 -2.893 -10.101 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.361 -4.333 -11.887 1.00 0.00 C ATOM 69 CE1 PHE A 11 4.741 -3.920 -9.534 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.089 -5.364 -11.326 1.00 0.00 C ATOM 71 CZ PHE A 11 4.781 -5.158 -10.146 1.00 0.00 C ATOM 0 H PHE A 11 0.649 -3.242 -12.928 1.00 0.00 H new ATOM 0 HA PHE A 11 1.064 -2.114 -10.320 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.507 -2.096 -12.978 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.023 -1.024 -11.693 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.984 -1.927 -9.618 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.823 -4.499 -12.809 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.280 -3.755 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.118 -6.330 -11.808 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.351 -5.962 -9.705 1.00 0.00 H new ATOM 81 N LEU A 12 0.666 0.361 -10.566 1.00 0.00 N ATOM 82 CA LEU A 12 0.186 1.736 -10.643 1.00 0.00 C ATOM 83 C LEU A 12 1.156 2.699 -9.968 1.00 0.00 C ATOM 84 O LEU A 12 1.707 2.405 -8.908 1.00 0.00 O ATOM 85 CB LEU A 12 -1.194 1.855 -9.993 1.00 0.00 C ATOM 86 CG LEU A 12 -2.147 0.696 -10.279 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.164 0.551 -9.157 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.849 0.900 -11.614 1.00 0.00 C ATOM 0 H LEU A 12 1.095 0.112 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 12 0.113 2.003 -11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.064 1.940 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.660 2.780 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.564 -0.223 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.834 -0.280 -9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.645 0.358 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.743 1.471 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.524 0.065 -11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.419 1.829 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.107 0.953 -12.411 1.00 0.00 H new ATOM 100 N THR A 13 1.349 3.858 -10.591 1.00 0.00 N ATOM 101 CA THR A 13 2.242 4.880 -10.055 1.00 0.00 C ATOM 102 C THR A 13 1.439 6.087 -9.583 1.00 0.00 C ATOM 103 O THR A 13 0.548 6.561 -10.290 1.00 0.00 O ATOM 104 CB THR A 13 3.258 5.310 -11.114 1.00 0.00 C ATOM 105 OG1 THR A 13 3.910 4.184 -11.672 1.00 0.00 O ATOM 106 CG2 THR A 13 4.324 6.240 -10.576 1.00 0.00 C ATOM 0 H THR A 13 0.898 4.113 -11.469 1.00 0.00 H new ATOM 0 HA THR A 13 2.779 4.458 -9.205 1.00 0.00 H new ATOM 0 HB THR A 13 2.680 5.843 -11.869 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.554 4.481 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.012 6.507 -11.378 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.855 7.143 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.873 5.741 -9.778 1.00 0.00 H new ATOM 114 N PHE A 14 1.745 6.577 -8.387 1.00 0.00 N ATOM 115 CA PHE A 14 1.028 7.722 -7.837 1.00 0.00 C ATOM 116 C PHE A 14 1.978 8.772 -7.266 1.00 0.00 C ATOM 117 O PHE A 14 2.811 8.476 -6.411 1.00 0.00 O ATOM 118 CB PHE A 14 0.057 7.259 -6.749 1.00 0.00 C ATOM 119 CG PHE A 14 -0.871 6.165 -7.197 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.479 6.218 -8.441 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.134 5.082 -6.372 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.332 5.213 -8.854 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.987 4.074 -6.781 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.587 4.140 -8.022 1.00 0.00 C ATOM 0 H PHE A 14 2.478 6.204 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 14 0.475 8.184 -8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.628 6.910 -5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.534 8.111 -6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.284 7.055 -9.095 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.667 5.025 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.799 5.266 -9.826 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.184 3.235 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.255 3.354 -8.342 1.00 0.00 H new ATOM 134 N GLU A 15 1.822 10.008 -7.736 1.00 0.00 N ATOM 135 CA GLU A 15 2.636 11.123 -7.268 1.00 0.00 C ATOM 136 C GLU A 15 1.884 11.888 -6.185 1.00 0.00 C ATOM 137 O GLU A 15 0.940 12.622 -6.477 1.00 0.00 O ATOM 138 CB GLU A 15 2.980 12.057 -8.430 1.00 0.00 C ATOM 139 CG GLU A 15 3.745 11.375 -9.552 1.00 0.00 C ATOM 140 CD GLU A 15 2.834 10.850 -10.643 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.628 10.672 -10.375 1.00 0.00 O ATOM 142 OE2 GLU A 15 3.326 10.618 -11.768 1.00 0.00 O ATOM 0 H GLU A 15 1.134 10.261 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 15 3.565 10.733 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.058 12.477 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.572 12.891 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.454 12.081 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.327 10.550 -9.141 1.00 0.00 H new ATOM 149 N VAL A 16 2.289 11.694 -4.935 1.00 0.00 N ATOM 150 CA VAL A 16 1.626 12.352 -3.811 1.00 0.00 C ATOM 151 C VAL A 16 2.404 13.579 -3.335 1.00 0.00 C ATOM 152 O VAL A 16 3.499 13.453 -2.787 1.00 0.00 O ATOM 153 CB VAL A 16 1.436 11.383 -2.625 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.135 11.686 -1.895 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.459 9.934 -3.090 1.00 0.00 C ATOM 0 H VAL A 16 3.068 11.090 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 16 0.649 12.673 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 16 2.267 11.528 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.016 10.994 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.159 12.708 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.703 11.573 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.323 9.275 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.654 9.769 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.417 9.719 -3.564 1.00 0.00 H new ATOM 165 N PRO A 17 1.845 14.787 -3.540 1.00 0.00 N ATOM 166 CA PRO A 17 2.487 16.038 -3.132 1.00 0.00 C ATOM 167 C PRO A 17 2.239 16.383 -1.668 1.00 0.00 C ATOM 168 O PRO A 17 1.190 16.930 -1.321 1.00 0.00 O ATOM 169 CB PRO A 17 1.819 17.068 -4.037 1.00 0.00 C ATOM 170 CG PRO A 17 0.440 16.539 -4.246 1.00 0.00 C ATOM 171 CD PRO A 17 0.542 15.035 -4.191 1.00 0.00 C ATOM 0 HA PRO A 17 3.572 15.989 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.800 18.053 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.352 17.172 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.238 16.910 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.041 16.865 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.278 14.600 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.504 14.596 -5.188 1.00 0.00 H new ATOM 179 N LEU A 18 3.212 16.079 -0.809 1.00 0.00 N ATOM 180 CA LEU A 18 3.090 16.372 0.616 1.00 0.00 C ATOM 181 C LEU A 18 3.652 17.750 0.939 1.00 0.00 C ATOM 182 O LEU A 18 4.044 18.026 2.074 1.00 0.00 O ATOM 183 CB LEU A 18 3.804 15.313 1.443 1.00 0.00 C ATOM 184 CG LEU A 18 5.324 15.395 1.401 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.858 16.069 2.660 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.926 14.008 1.236 1.00 0.00 C ATOM 0 H LEU A 18 4.089 15.632 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 18 2.030 16.363 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.477 15.398 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.496 14.328 1.092 1.00 0.00 H new ATOM 0 HG LEU A 18 5.615 15.999 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.946 16.119 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.451 17.078 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.559 15.493 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.013 14.084 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.628 13.380 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.569 13.565 0.306 1.00 0.00 H new ATOM 198 N ASN A 19 3.676 18.607 -0.070 1.00 0.00 N ATOM 199 CA ASN A 19 4.173 19.972 0.062 1.00 0.00 C ATOM 200 C ASN A 19 3.765 20.603 1.395 1.00 0.00 C ATOM 201 O ASN A 19 4.476 21.455 1.929 1.00 0.00 O ATOM 202 CB ASN A 19 3.642 20.815 -1.100 1.00 0.00 C ATOM 203 CG ASN A 19 2.171 21.178 -0.947 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.329 20.182 -0.660 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.792 22.341 -1.085 1.00 0.00 N flip ATOM 0 H ASN A 19 3.350 18.376 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 19 5.262 19.941 0.037 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.230 21.729 -1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.781 20.267 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.466 23.074 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.804 22.571 -0.980 1.00 0.00 H new ATOM 212 N ASP A 20 2.618 20.185 1.922 1.00 0.00 N ATOM 213 CA ASP A 20 2.127 20.722 3.187 1.00 0.00 C ATOM 214 C ASP A 20 1.348 19.672 3.976 1.00 0.00 C ATOM 215 O ASP A 20 0.519 20.012 4.819 1.00 0.00 O ATOM 216 CB ASP A 20 1.241 21.944 2.934 1.00 0.00 C ATOM 217 CG ASP A 20 0.065 21.629 2.029 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.287 20.437 1.908 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.504 22.575 1.444 1.00 0.00 O ATOM 0 H ASP A 20 2.015 19.481 1.496 1.00 0.00 H new ATOM 0 HA ASP A 20 2.993 21.018 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.871 22.325 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.840 22.736 2.485 1.00 0.00 H new ATOM 224 N SER A 21 1.619 18.399 3.706 1.00 0.00 N ATOM 225 CA SER A 21 0.938 17.315 4.406 1.00 0.00 C ATOM 226 C SER A 21 1.907 16.544 5.303 1.00 0.00 C ATOM 227 O SER A 21 1.486 15.761 6.153 1.00 0.00 O ATOM 228 CB SER A 21 0.279 16.365 3.406 1.00 0.00 C ATOM 229 OG SER A 21 1.246 15.586 2.725 1.00 0.00 O ATOM 0 H SER A 21 2.301 18.094 3.012 1.00 0.00 H new ATOM 0 HA SER A 21 0.166 17.756 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.418 15.709 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.303 16.939 2.685 1.00 0.00 H new ATOM 0 HG SER A 21 0.803 15.033 2.048 1.00 0.00 H new ATOM 235 N GLY A 22 3.206 16.771 5.108 1.00 0.00 N ATOM 236 CA GLY A 22 4.210 16.089 5.907 1.00 0.00 C ATOM 237 C GLY A 22 3.936 16.177 7.397 1.00 0.00 C ATOM 238 O GLY A 22 4.356 15.312 8.164 1.00 0.00 O ATOM 0 H GLY A 22 3.579 17.415 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.252 15.041 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.189 16.519 5.696 1.00 0.00 H new ATOM 242 N SER A 23 3.227 17.225 7.808 1.00 0.00 N ATOM 243 CA SER A 23 2.896 17.421 9.216 1.00 0.00 C ATOM 244 C SER A 23 2.193 16.191 9.784 1.00 0.00 C ATOM 245 O SER A 23 2.316 15.882 10.968 1.00 0.00 O ATOM 246 CB SER A 23 2.011 18.655 9.388 1.00 0.00 C ATOM 247 OG SER A 23 1.754 18.912 10.757 1.00 0.00 O ATOM 0 H SER A 23 2.871 17.951 7.186 1.00 0.00 H new ATOM 0 HA SER A 23 3.825 17.573 9.765 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.497 19.520 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.069 18.507 8.860 1.00 0.00 H new ATOM 0 HG SER A 23 1.187 19.707 10.840 1.00 0.00 H new ATOM 253 N ALA A 24 1.456 15.492 8.925 1.00 0.00 N ATOM 254 CA ALA A 24 0.734 14.295 9.333 1.00 0.00 C ATOM 255 C ALA A 24 1.419 13.038 8.805 1.00 0.00 C ATOM 256 O ALA A 24 1.315 11.966 9.401 1.00 0.00 O ATOM 257 CB ALA A 24 -0.705 14.356 8.844 1.00 0.00 C ATOM 0 H ALA A 24 1.344 15.736 7.941 1.00 0.00 H new ATOM 0 HA ALA A 24 0.736 14.251 10.422 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.234 13.455 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.197 15.231 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.717 14.426 7.756 1.00 0.00 H new ATOM 263 N GLY A 25 2.118 13.180 7.683 1.00 0.00 N ATOM 264 CA GLY A 25 2.810 12.051 7.090 1.00 0.00 C ATOM 265 C GLY A 25 2.239 11.670 5.739 1.00 0.00 C ATOM 266 O GLY A 25 2.050 10.489 5.450 1.00 0.00 O ATOM 0 H GLY A 25 2.217 14.058 7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.867 12.293 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.747 11.196 7.763 1.00 0.00 H new ATOM 270 N LEU A 26 1.968 12.683 4.916 1.00 0.00 N ATOM 271 CA LEU A 26 1.415 12.493 3.572 1.00 0.00 C ATOM 272 C LEU A 26 -0.108 12.424 3.584 1.00 0.00 C ATOM 273 O LEU A 26 -0.750 12.702 2.570 1.00 0.00 O ATOM 274 CB LEU A 26 1.980 11.236 2.903 1.00 0.00 C ATOM 275 CG LEU A 26 1.726 11.150 1.399 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.254 12.392 0.699 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.368 9.901 0.818 1.00 0.00 C ATOM 0 H LEU A 26 2.125 13.660 5.161 1.00 0.00 H new ATOM 0 HA LEU A 26 1.715 13.366 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.055 11.198 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.546 10.358 3.383 1.00 0.00 H new ATOM 0 HG LEU A 26 0.650 11.091 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.065 12.314 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.750 13.274 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.327 12.479 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.176 9.858 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.443 9.930 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.946 9.018 1.298 1.00 0.00 H new ATOM 289 N GLY A 27 -0.690 12.050 4.719 1.00 0.00 N ATOM 290 CA GLY A 27 -2.129 11.956 4.801 1.00 0.00 C ATOM 291 C GLY A 27 -2.633 10.579 4.427 1.00 0.00 C ATOM 292 O GLY A 27 -3.566 10.447 3.637 1.00 0.00 O ATOM 0 H GLY A 27 -0.191 11.812 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.450 12.196 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.578 12.698 4.140 1.00 0.00 H new ATOM 296 N VAL A 28 -2.022 9.552 5.010 1.00 0.00 N ATOM 297 CA VAL A 28 -2.421 8.172 4.744 1.00 0.00 C ATOM 298 C VAL A 28 -1.798 7.209 5.750 1.00 0.00 C ATOM 299 O VAL A 28 -0.752 7.493 6.336 1.00 0.00 O ATOM 300 CB VAL A 28 -2.034 7.714 3.318 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.253 7.701 2.411 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.936 8.593 2.736 1.00 0.00 C ATOM 0 H VAL A 28 -1.249 9.648 5.669 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.507 8.152 4.838 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.645 6.698 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.960 7.376 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.998 7.014 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.677 8.704 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.686 8.246 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.284 9.625 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.051 8.538 3.370 1.00 0.00 H new ATOM 312 N SER A 29 -2.447 6.064 5.931 1.00 0.00 N ATOM 313 CA SER A 29 -1.966 5.041 6.850 1.00 0.00 C ATOM 314 C SER A 29 -1.915 3.689 6.149 1.00 0.00 C ATOM 315 O SER A 29 -2.860 3.303 5.463 1.00 0.00 O ATOM 316 CB SER A 29 -2.869 4.961 8.082 1.00 0.00 C ATOM 317 OG SER A 29 -3.414 6.231 8.400 1.00 0.00 O ATOM 0 H SER A 29 -3.313 5.821 5.450 1.00 0.00 H new ATOM 0 HA SER A 29 -0.960 5.310 7.174 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.676 4.251 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.298 4.584 8.931 1.00 0.00 H new ATOM 0 HG SER A 29 -3.989 6.152 9.190 1.00 0.00 H new ATOM 323 N VAL A 30 -0.805 2.978 6.312 1.00 0.00 N ATOM 324 CA VAL A 30 -0.641 1.674 5.677 1.00 0.00 C ATOM 325 C VAL A 30 -0.533 0.554 6.704 1.00 0.00 C ATOM 326 O VAL A 30 -0.137 0.779 7.849 1.00 0.00 O ATOM 327 CB VAL A 30 0.605 1.639 4.767 1.00 0.00 C ATOM 328 CG1 VAL A 30 0.481 0.522 3.743 1.00 0.00 C ATOM 329 CG2 VAL A 30 0.808 2.980 4.076 1.00 0.00 C ATOM 0 H VAL A 30 -0.009 3.279 6.875 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.534 1.516 5.072 1.00 0.00 H new ATOM 0 HB VAL A 30 1.479 1.444 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.367 0.510 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.390 -0.435 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.403 0.689 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.692 2.931 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.065 3.211 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.943 3.759 4.826 1.00 0.00 H new ATOM 339 N LYS A 31 -0.891 -0.654 6.281 1.00 0.00 N ATOM 340 CA LYS A 31 -0.839 -1.822 7.152 1.00 0.00 C ATOM 341 C LYS A 31 -0.244 -3.017 6.410 1.00 0.00 C ATOM 342 O LYS A 31 -0.607 -3.294 5.266 1.00 0.00 O ATOM 343 CB LYS A 31 -2.240 -2.149 7.681 1.00 0.00 C ATOM 344 CG LYS A 31 -3.080 -2.996 6.740 1.00 0.00 C ATOM 345 CD LYS A 31 -2.774 -4.470 6.916 1.00 0.00 C ATOM 346 CE LYS A 31 -4.000 -5.331 6.657 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.857 -5.453 7.868 1.00 0.00 N ATOM 0 H LYS A 31 -1.222 -0.850 5.336 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.194 -1.598 8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.144 -2.671 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.767 -1.216 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.138 -2.816 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.886 -2.701 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.974 -4.760 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.411 -4.648 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.582 -4.899 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.685 -6.323 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.553 -6.212 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.264 -5.678 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.354 -4.554 8.034 1.00 0.00 H new ATOM 361 N GLY A 32 0.676 -3.718 7.066 1.00 0.00 N ATOM 362 CA GLY A 32 1.309 -4.870 6.450 1.00 0.00 C ATOM 363 C GLY A 32 0.853 -6.181 7.059 1.00 0.00 C ATOM 364 O GLY A 32 0.556 -6.250 8.251 1.00 0.00 O ATOM 0 H GLY A 32 0.994 -3.509 8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.089 -4.873 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.391 -4.783 6.552 1.00 0.00 H new ATOM 368 N ASN A 33 0.800 -7.224 6.235 1.00 0.00 N ATOM 369 CA ASN A 33 0.376 -8.541 6.699 1.00 0.00 C ATOM 370 C ASN A 33 1.278 -9.635 6.137 1.00 0.00 C ATOM 371 O ASN A 33 2.268 -9.354 5.463 1.00 0.00 O ATOM 372 CB ASN A 33 -1.077 -8.803 6.297 1.00 0.00 C ATOM 373 CG ASN A 33 -2.047 -8.521 7.424 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.718 -9.426 7.924 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.130 -7.261 7.833 1.00 0.00 N ATOM 0 H ASN A 33 1.045 -7.183 5.246 1.00 0.00 H new ATOM 0 HA ASN A 33 0.453 -8.557 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.331 -8.182 5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.182 -9.841 5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.768 -7.011 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.556 -6.543 7.391 1.00 0.00 H new ATOM 382 N ARG A 34 0.924 -10.885 6.420 1.00 0.00 N ATOM 383 CA ARG A 34 1.696 -12.027 5.944 1.00 0.00 C ATOM 384 C ARG A 34 0.773 -13.169 5.531 1.00 0.00 C ATOM 385 O ARG A 34 -0.418 -13.163 5.843 1.00 0.00 O ATOM 386 CB ARG A 34 2.666 -12.504 7.027 1.00 0.00 C ATOM 387 CG ARG A 34 2.038 -12.615 8.407 1.00 0.00 C ATOM 388 CD ARG A 34 1.648 -14.049 8.731 1.00 0.00 C ATOM 389 NE ARG A 34 0.198 -14.226 8.774 1.00 0.00 N ATOM 390 CZ ARG A 34 -0.407 -15.251 9.370 1.00 0.00 C ATOM 391 NH1 ARG A 34 0.308 -16.193 9.971 1.00 0.00 N ATOM 392 NH2 ARG A 34 -1.731 -15.334 9.363 1.00 0.00 N ATOM 0 H ARG A 34 0.106 -11.133 6.977 1.00 0.00 H new ATOM 0 HA ARG A 34 2.268 -11.710 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.066 -13.477 6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.509 -11.815 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.740 -12.250 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.156 -11.977 8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.073 -14.718 7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.076 -14.333 9.692 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.385 -13.522 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.326 -16.134 9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.161 -16.976 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.285 -14.613 8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.195 -16.119 9.820 1.00 0.00 H new ATOM 406 N SER A 35 1.331 -14.149 4.824 1.00 0.00 N ATOM 407 CA SER A 35 0.561 -15.302 4.363 1.00 0.00 C ATOM 408 C SER A 35 -0.297 -15.878 5.486 1.00 0.00 C ATOM 409 O SER A 35 0.128 -15.935 6.640 1.00 0.00 O ATOM 410 CB SER A 35 1.498 -16.381 3.821 1.00 0.00 C ATOM 411 OG SER A 35 0.773 -17.402 3.159 1.00 0.00 O ATOM 0 H SER A 35 2.315 -14.168 4.557 1.00 0.00 H new ATOM 0 HA SER A 35 -0.101 -14.965 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.213 -15.933 3.131 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.073 -16.812 4.640 1.00 0.00 H new ATOM 0 HG SER A 35 1.326 -17.788 2.448 1.00 0.00 H new ATOM 417 N LYS A 36 -1.507 -16.304 5.140 1.00 0.00 N ATOM 418 CA LYS A 36 -2.425 -16.876 6.119 1.00 0.00 C ATOM 419 C LYS A 36 -2.065 -18.329 6.435 1.00 0.00 C ATOM 420 O LYS A 36 -2.643 -18.936 7.335 1.00 0.00 O ATOM 421 CB LYS A 36 -3.864 -16.797 5.605 1.00 0.00 C ATOM 422 CG LYS A 36 -4.629 -15.589 6.122 1.00 0.00 C ATOM 423 CD LYS A 36 -3.982 -14.288 5.678 1.00 0.00 C ATOM 424 CE LYS A 36 -4.021 -13.242 6.781 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.579 -11.905 6.296 1.00 0.00 N ATOM 0 H LYS A 36 -1.875 -16.264 4.190 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.338 -16.295 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.851 -16.769 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.395 -17.704 5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.657 -15.627 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.671 -15.622 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.948 -14.475 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.496 -13.907 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.035 -13.168 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.381 -13.559 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.343 -11.301 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.740 -12.015 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.345 -11.464 5.748 1.00 0.00 H new ATOM 439 N GLU A 37 -1.108 -18.881 5.691 1.00 0.00 N ATOM 440 CA GLU A 37 -0.681 -20.259 5.899 1.00 0.00 C ATOM 441 C GLU A 37 0.645 -20.312 6.650 1.00 0.00 C ATOM 442 O GLU A 37 0.922 -21.266 7.377 1.00 0.00 O ATOM 443 CB GLU A 37 -0.547 -20.984 4.558 1.00 0.00 C ATOM 444 CG GLU A 37 -1.639 -20.633 3.561 1.00 0.00 C ATOM 445 CD GLU A 37 -1.307 -19.400 2.743 1.00 0.00 C ATOM 446 OE1 GLU A 37 -0.467 -19.505 1.824 1.00 0.00 O ATOM 447 OE2 GLU A 37 -1.884 -18.328 3.022 1.00 0.00 O ATOM 0 H GLU A 37 -0.616 -18.395 4.941 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.440 -20.758 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.422 -20.744 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.560 -22.060 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.799 -21.477 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.575 -20.469 4.095 1.00 0.00 H new ATOM 454 N ASN A 38 1.466 -19.281 6.467 1.00 0.00 N ATOM 455 CA ASN A 38 2.765 -19.214 7.124 1.00 0.00 C ATOM 456 C ASN A 38 3.110 -17.775 7.503 1.00 0.00 C ATOM 457 O ASN A 38 2.263 -16.885 7.433 1.00 0.00 O ATOM 458 CB ASN A 38 3.848 -19.793 6.209 1.00 0.00 C ATOM 459 CG ASN A 38 4.092 -18.942 4.977 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.168 -18.369 4.808 1.00 0.00 O ATOM 461 ND2 ASN A 38 3.090 -18.854 4.107 1.00 0.00 N ATOM 0 H ASN A 38 1.254 -18.482 5.869 1.00 0.00 H new ATOM 0 HA ASN A 38 2.717 -19.806 8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.778 -19.888 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.558 -20.797 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.197 -18.295 3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.214 -19.346 4.286 1.00 0.00 H new ATOM 468 N HIS A 39 4.358 -17.555 7.903 1.00 0.00 N ATOM 469 CA HIS A 39 4.812 -16.224 8.291 1.00 0.00 C ATOM 470 C HIS A 39 5.497 -15.522 7.121 1.00 0.00 C ATOM 471 O HIS A 39 6.528 -14.872 7.289 1.00 0.00 O ATOM 472 CB HIS A 39 5.770 -16.317 9.481 1.00 0.00 C ATOM 473 CG HIS A 39 5.085 -16.214 10.808 1.00 0.00 C ATOM 474 ND1 HIS A 39 4.845 -17.304 11.619 1.00 0.00 N ATOM 475 CD2 HIS A 39 4.588 -15.140 11.467 1.00 0.00 C ATOM 476 CE1 HIS A 39 4.230 -16.906 12.718 1.00 0.00 C ATOM 477 NE2 HIS A 39 4.063 -15.599 12.652 1.00 0.00 N ATOM 0 H HIS A 39 5.073 -18.280 7.967 1.00 0.00 H new ATOM 0 HA HIS A 39 3.940 -15.638 8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.308 -17.264 9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.513 -15.524 9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.602 -14.115 11.126 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.917 -17.542 13.532 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.617 -15.022 13.365 1.00 0.00 H new ATOM 486 N ALA A 40 4.914 -15.661 5.935 1.00 0.00 N ATOM 487 CA ALA A 40 5.464 -15.043 4.735 1.00 0.00 C ATOM 488 C ALA A 40 4.843 -13.674 4.486 1.00 0.00 C ATOM 489 O ALA A 40 3.724 -13.572 3.986 1.00 0.00 O ATOM 490 CB ALA A 40 5.249 -15.949 3.531 1.00 0.00 C ATOM 0 H ALA A 40 4.060 -16.197 5.780 1.00 0.00 H new ATOM 0 HA ALA A 40 6.534 -14.903 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.664 -15.476 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.747 -16.904 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.182 -16.117 3.388 1.00 0.00 H new ATOM 496 N ASP A 41 5.577 -12.623 4.838 1.00 0.00 N ATOM 497 CA ASP A 41 5.096 -11.257 4.652 1.00 0.00 C ATOM 498 C ASP A 41 4.718 -11.009 3.194 1.00 0.00 C ATOM 499 O ASP A 41 5.519 -11.230 2.287 1.00 0.00 O ATOM 500 CB ASP A 41 6.165 -10.254 5.089 1.00 0.00 C ATOM 501 CG ASP A 41 7.532 -10.577 4.515 1.00 0.00 C ATOM 502 OD1 ASP A 41 7.835 -10.101 3.402 1.00 0.00 O ATOM 503 OD2 ASP A 41 8.297 -11.308 5.179 1.00 0.00 O ATOM 0 H ASP A 41 6.506 -12.690 5.253 1.00 0.00 H new ATOM 0 HA ASP A 41 4.207 -11.123 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.870 -9.253 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.225 -10.242 6.177 1.00 0.00 H new ATOM 508 N LEU A 42 3.488 -10.554 2.976 1.00 0.00 N ATOM 509 CA LEU A 42 3.002 -10.279 1.629 1.00 0.00 C ATOM 510 C LEU A 42 3.314 -8.845 1.217 1.00 0.00 C ATOM 511 O LEU A 42 3.592 -8.572 0.050 1.00 0.00 O ATOM 512 CB LEU A 42 1.495 -10.532 1.548 1.00 0.00 C ATOM 513 CG LEU A 42 1.040 -11.905 2.045 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.455 -12.080 1.834 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.814 -13.010 1.341 1.00 0.00 C ATOM 0 H LEU A 42 2.810 -10.368 3.715 1.00 0.00 H new ATOM 0 HA LEU A 42 3.514 -10.952 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.982 -9.765 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.178 -10.414 0.512 1.00 0.00 H new ATOM 0 HG LEU A 42 1.245 -11.970 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.761 -13.063 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.993 -11.309 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.685 -11.995 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.477 -13.980 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.641 -12.948 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.879 -12.895 1.545 1.00 0.00 H new ATOM 527 N GLY A 43 3.267 -7.933 2.181 1.00 0.00 N ATOM 528 CA GLY A 43 3.549 -6.537 1.895 1.00 0.00 C ATOM 529 C GLY A 43 2.669 -5.591 2.687 1.00 0.00 C ATOM 530 O GLY A 43 2.133 -5.957 3.734 1.00 0.00 O ATOM 0 H GLY A 43 3.039 -8.134 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.595 -6.328 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.408 -6.352 0.830 1.00 0.00 H new ATOM 534 N ILE A 44 2.519 -4.368 2.188 1.00 0.00 N ATOM 535 CA ILE A 44 1.701 -3.361 2.854 1.00 0.00 C ATOM 536 C ILE A 44 0.579 -2.875 1.937 1.00 0.00 C ATOM 537 O ILE A 44 0.755 -2.770 0.725 1.00 0.00 O ATOM 538 CB ILE A 44 2.539 -2.141 3.316 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.984 -2.240 2.813 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.515 -2.022 4.833 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.796 -3.320 3.499 1.00 0.00 C ATOM 0 H ILE A 44 2.955 -4.050 1.322 1.00 0.00 H new ATOM 0 HA ILE A 44 1.275 -3.842 3.734 1.00 0.00 H new ATOM 0 HB ILE A 44 2.091 -1.245 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.973 -2.432 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.477 -1.279 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.108 -1.161 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.487 -1.894 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.933 -2.926 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.807 -3.330 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.839 -3.119 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.327 -4.290 3.331 1.00 0.00 H new ATOM 553 N PHE A 45 -0.573 -2.581 2.532 1.00 0.00 N ATOM 554 CA PHE A 45 -1.731 -2.105 1.778 1.00 0.00 C ATOM 555 C PHE A 45 -2.319 -0.864 2.438 1.00 0.00 C ATOM 556 O PHE A 45 -2.357 -0.764 3.665 1.00 0.00 O ATOM 557 CB PHE A 45 -2.802 -3.199 1.681 1.00 0.00 C ATOM 558 CG PHE A 45 -2.285 -4.588 1.942 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.291 -5.132 1.146 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.793 -5.345 2.985 1.00 0.00 C ATOM 561 CE1 PHE A 45 -0.811 -6.406 1.384 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.320 -6.621 3.228 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.328 -7.152 2.426 1.00 0.00 C ATOM 0 H PHE A 45 -0.731 -2.664 3.536 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.399 -1.850 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.597 -2.979 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.248 -3.169 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.886 -4.553 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.567 -4.934 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.034 -6.818 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.725 -7.202 4.043 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.957 -8.149 2.613 1.00 0.00 H new ATOM 573 N VAL A 46 -2.776 0.081 1.623 1.00 0.00 N ATOM 574 CA VAL A 46 -3.360 1.313 2.142 1.00 0.00 C ATOM 575 C VAL A 46 -4.452 1.009 3.163 1.00 0.00 C ATOM 576 O VAL A 46 -5.507 0.476 2.822 1.00 0.00 O ATOM 577 CB VAL A 46 -3.950 2.182 1.017 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.332 3.556 1.545 1.00 0.00 C ATOM 579 CG2 VAL A 46 -2.967 2.302 -0.138 1.00 0.00 C ATOM 0 H VAL A 46 -2.754 0.018 0.605 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.554 1.866 2.624 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.853 1.697 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.747 4.155 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.076 3.449 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.447 4.051 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.402 2.920 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.044 2.762 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.749 1.311 -0.535 1.00 0.00 H new ATOM 589 N LYS A 47 -4.184 1.344 4.420 1.00 0.00 N ATOM 590 CA LYS A 47 -5.130 1.101 5.501 1.00 0.00 C ATOM 591 C LYS A 47 -6.170 2.213 5.582 1.00 0.00 C ATOM 592 O LYS A 47 -7.357 1.951 5.780 1.00 0.00 O ATOM 593 CB LYS A 47 -4.388 0.983 6.834 1.00 0.00 C ATOM 594 CG LYS A 47 -5.301 0.745 8.024 1.00 0.00 C ATOM 595 CD LYS A 47 -5.762 -0.702 8.094 1.00 0.00 C ATOM 596 CE LYS A 47 -7.264 -0.801 8.307 1.00 0.00 C ATOM 597 NZ LYS A 47 -7.674 -2.159 8.757 1.00 0.00 N ATOM 0 H LYS A 47 -3.314 1.787 4.716 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.647 0.164 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.671 0.165 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.816 1.896 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.777 1.006 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.169 1.401 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.490 -1.216 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.244 -1.211 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.575 -0.064 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.779 -0.556 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.705 -2.184 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.401 -2.860 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.203 -2.384 9.657 1.00 0.00 H new ATOM 611 N SER A 48 -5.720 3.454 5.436 1.00 0.00 N ATOM 612 CA SER A 48 -6.619 4.600 5.500 1.00 0.00 C ATOM 613 C SER A 48 -5.999 5.823 4.837 1.00 0.00 C ATOM 614 O SER A 48 -4.821 5.820 4.479 1.00 0.00 O ATOM 615 CB SER A 48 -6.968 4.918 6.956 1.00 0.00 C ATOM 616 OG SER A 48 -8.320 5.324 7.079 1.00 0.00 O ATOM 0 H SER A 48 -4.742 3.692 5.273 1.00 0.00 H new ATOM 0 HA SER A 48 -7.530 4.343 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.791 4.039 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.313 5.707 7.326 1.00 0.00 H new ATOM 0 HG SER A 48 -8.519 5.520 8.018 1.00 0.00 H new ATOM 622 N ILE A 49 -6.804 6.868 4.673 1.00 0.00 N ATOM 623 CA ILE A 49 -6.339 8.099 4.049 1.00 0.00 C ATOM 624 C ILE A 49 -6.837 9.321 4.814 1.00 0.00 C ATOM 625 O ILE A 49 -7.899 9.291 5.435 1.00 0.00 O ATOM 626 CB ILE A 49 -6.810 8.201 2.586 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.681 6.844 1.891 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.028 9.268 1.831 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.122 6.856 0.443 1.00 0.00 C ATOM 0 H ILE A 49 -7.781 6.886 4.964 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.250 8.074 4.072 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.860 8.494 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.642 6.517 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.274 6.109 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.382 9.318 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.174 10.235 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.968 9.016 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.002 5.860 0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.170 7.151 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.513 7.566 -0.117 1.00 0.00 H new ATOM 641 N ILE A 50 -6.063 10.394 4.751 1.00 0.00 N ATOM 642 CA ILE A 50 -6.410 11.639 5.423 1.00 0.00 C ATOM 643 C ILE A 50 -6.851 12.686 4.405 1.00 0.00 C ATOM 644 O ILE A 50 -6.022 13.277 3.713 1.00 0.00 O ATOM 645 CB ILE A 50 -5.220 12.196 6.238 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.852 11.246 7.381 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.543 13.580 6.789 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.909 10.140 6.983 1.00 0.00 C ATOM 0 H ILE A 50 -5.183 10.428 4.237 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.229 11.420 6.108 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.365 12.280 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.398 11.823 8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.765 10.804 7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.692 13.952 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.753 14.260 5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.416 13.518 7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.699 9.512 7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.367 9.536 6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.979 10.571 6.613 1.00 0.00 H new ATOM 660 N ASN A 51 -8.158 12.907 4.315 1.00 0.00 N ATOM 661 CA ASN A 51 -8.701 13.884 3.375 1.00 0.00 C ATOM 662 C ASN A 51 -8.292 15.299 3.767 1.00 0.00 C ATOM 663 O ASN A 51 -9.106 16.085 4.253 1.00 0.00 O ATOM 664 CB ASN A 51 -10.227 13.782 3.304 1.00 0.00 C ATOM 665 CG ASN A 51 -10.869 13.564 4.661 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.475 12.522 4.912 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.742 14.548 5.544 1.00 0.00 N ATOM 0 H ASN A 51 -8.859 12.426 4.878 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.290 13.662 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.627 14.694 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.501 12.960 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.155 14.457 6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.231 15.395 5.294 1.00 0.00 H new ATOM 674 N GLY A 52 -7.021 15.614 3.553 1.00 0.00 N ATOM 675 CA GLY A 52 -6.513 16.930 3.886 1.00 0.00 C ATOM 676 C GLY A 52 -5.145 17.200 3.285 1.00 0.00 C ATOM 677 O GLY A 52 -4.793 18.351 3.031 1.00 0.00 O ATOM 0 H GLY A 52 -6.331 14.978 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.215 17.686 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.455 17.029 4.970 1.00 0.00 H new ATOM 681 N GLY A 53 -4.367 16.141 3.064 1.00 0.00 N ATOM 682 CA GLY A 53 -3.041 16.307 2.499 1.00 0.00 C ATOM 683 C GLY A 53 -2.889 15.648 1.140 1.00 0.00 C ATOM 684 O GLY A 53 -3.874 15.281 0.501 1.00 0.00 O ATOM 0 H GLY A 53 -4.631 15.177 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.822 17.371 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.305 15.887 3.185 1.00 0.00 H new ATOM 688 N ALA A 54 -1.644 15.516 0.702 1.00 0.00 N ATOM 689 CA ALA A 54 -1.320 14.918 -0.590 1.00 0.00 C ATOM 690 C ALA A 54 -2.175 13.694 -0.914 1.00 0.00 C ATOM 691 O ALA A 54 -2.785 13.623 -1.979 1.00 0.00 O ATOM 692 CB ALA A 54 0.151 14.544 -0.619 1.00 0.00 C ATOM 0 H ALA A 54 -0.828 15.821 1.232 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.539 15.664 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.394 14.097 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.757 15.438 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.360 13.828 0.176 1.00 0.00 H new ATOM 698 N ALA A 55 -2.200 12.730 -0.005 1.00 0.00 N ATOM 699 CA ALA A 55 -2.970 11.506 -0.218 1.00 0.00 C ATOM 700 C ALA A 55 -4.411 11.815 -0.612 1.00 0.00 C ATOM 701 O ALA A 55 -5.024 11.078 -1.383 1.00 0.00 O ATOM 702 CB ALA A 55 -2.937 10.638 1.028 1.00 0.00 C ATOM 0 H ALA A 55 -1.700 12.768 0.883 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.509 10.961 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.515 9.730 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.905 10.373 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.367 11.187 1.865 1.00 0.00 H new ATOM 708 N SER A 56 -4.942 12.912 -0.086 1.00 0.00 N ATOM 709 CA SER A 56 -6.306 13.319 -0.391 1.00 0.00 C ATOM 710 C SER A 56 -6.380 13.960 -1.766 1.00 0.00 C ATOM 711 O SER A 56 -7.119 13.507 -2.641 1.00 0.00 O ATOM 712 CB SER A 56 -6.811 14.303 0.660 1.00 0.00 C ATOM 713 OG SER A 56 -6.295 15.605 0.439 1.00 0.00 O ATOM 0 H SER A 56 -4.448 13.535 0.553 1.00 0.00 H new ATOM 0 HA SER A 56 -6.936 12.429 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.900 14.333 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.521 13.958 1.653 1.00 0.00 H new ATOM 0 HG SER A 56 -5.385 15.662 0.799 1.00 0.00 H new ATOM 719 N LYS A 57 -5.607 15.022 -1.947 1.00 0.00 N ATOM 720 CA LYS A 57 -5.580 15.739 -3.219 1.00 0.00 C ATOM 721 C LYS A 57 -5.147 14.819 -4.357 1.00 0.00 C ATOM 722 O LYS A 57 -5.476 15.058 -5.518 1.00 0.00 O ATOM 723 CB LYS A 57 -4.657 16.962 -3.151 1.00 0.00 C ATOM 724 CG LYS A 57 -3.388 16.748 -2.345 1.00 0.00 C ATOM 725 CD LYS A 57 -3.182 17.866 -1.332 1.00 0.00 C ATOM 726 CE LYS A 57 -1.728 18.307 -1.272 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.257 18.480 0.130 1.00 0.00 N ATOM 0 H LYS A 57 -4.990 15.407 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.594 16.086 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.384 17.252 -4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.211 17.796 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.440 15.790 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.531 16.701 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.810 18.717 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.501 17.528 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.104 17.569 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.611 19.246 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.841 19.426 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.061 18.376 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.540 17.759 0.347 1.00 0.00 H new ATOM 741 N ASP A 58 -4.412 13.763 -4.017 1.00 0.00 N ATOM 742 CA ASP A 58 -3.942 12.809 -5.014 1.00 0.00 C ATOM 743 C ASP A 58 -5.113 12.237 -5.809 1.00 0.00 C ATOM 744 O ASP A 58 -5.063 12.155 -7.036 1.00 0.00 O ATOM 745 CB ASP A 58 -3.159 11.676 -4.341 1.00 0.00 C ATOM 746 CG ASP A 58 -1.688 11.689 -4.710 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.239 12.678 -5.328 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.985 10.712 -4.380 1.00 0.00 O ATOM 0 H ASP A 58 -4.130 13.548 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.280 13.334 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.260 11.762 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.594 10.718 -4.627 1.00 0.00 H new ATOM 753 N GLY A 59 -6.166 11.850 -5.099 1.00 0.00 N ATOM 754 CA GLY A 59 -7.340 11.296 -5.749 1.00 0.00 C ATOM 755 C GLY A 59 -7.029 10.072 -6.589 1.00 0.00 C ATOM 756 O GLY A 59 -7.804 9.707 -7.473 1.00 0.00 O ATOM 0 H GLY A 59 -6.228 11.910 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.078 11.032 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.792 12.059 -6.382 1.00 0.00 H new ATOM 760 N ARG A 60 -5.898 9.430 -6.313 1.00 0.00 N ATOM 761 CA ARG A 60 -5.498 8.239 -7.054 1.00 0.00 C ATOM 762 C ARG A 60 -5.148 7.086 -6.111 1.00 0.00 C ATOM 763 O ARG A 60 -4.726 6.019 -6.556 1.00 0.00 O ATOM 764 CB ARG A 60 -4.306 8.550 -7.961 1.00 0.00 C ATOM 765 CG ARG A 60 -3.032 8.881 -7.201 1.00 0.00 C ATOM 766 CD ARG A 60 -2.073 9.694 -8.054 1.00 0.00 C ATOM 767 NE ARG A 60 -2.107 11.112 -7.707 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.331 12.032 -8.276 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.471 11.690 -9.228 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.413 13.299 -7.893 1.00 0.00 N ATOM 0 H ARG A 60 -5.244 9.714 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.345 7.932 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.120 7.693 -8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.562 9.389 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.280 9.438 -6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.546 7.959 -6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.060 9.313 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.329 9.571 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.763 11.415 -6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.402 10.717 -9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.121 12.400 -9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.071 13.569 -7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.818 14.003 -8.329 1.00 0.00 H new ATOM 784 N LEU A 61 -5.326 7.305 -4.810 1.00 0.00 N ATOM 785 CA LEU A 61 -5.027 6.281 -3.818 1.00 0.00 C ATOM 786 C LEU A 61 -6.248 5.404 -3.554 1.00 0.00 C ATOM 787 O LEU A 61 -7.385 5.829 -3.759 1.00 0.00 O ATOM 788 CB LEU A 61 -4.561 6.927 -2.512 1.00 0.00 C ATOM 789 CG LEU A 61 -3.132 7.474 -2.533 1.00 0.00 C ATOM 790 CD1 LEU A 61 -2.131 6.346 -2.724 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.979 8.517 -3.629 1.00 0.00 C ATOM 0 H LEU A 61 -5.675 8.181 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.228 5.653 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.242 7.741 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.640 6.191 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.931 7.951 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.121 6.754 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.225 5.634 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.329 5.840 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.957 8.896 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.199 8.064 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.671 9.340 -3.448 1.00 0.00 H new ATOM 803 N ARG A 62 -6.003 4.181 -3.099 1.00 0.00 N ATOM 804 CA ARG A 62 -7.078 3.243 -2.805 1.00 0.00 C ATOM 805 C ARG A 62 -6.801 2.495 -1.506 1.00 0.00 C ATOM 806 O ARG A 62 -5.749 1.876 -1.349 1.00 0.00 O ATOM 807 CB ARG A 62 -7.249 2.253 -3.959 1.00 0.00 C ATOM 808 CG ARG A 62 -8.386 2.606 -4.903 1.00 0.00 C ATOM 809 CD ARG A 62 -9.731 2.186 -4.335 1.00 0.00 C ATOM 810 NE ARG A 62 -9.977 2.776 -3.022 1.00 0.00 N ATOM 811 CZ ARG A 62 -10.455 4.005 -2.838 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.725 4.782 -3.877 1.00 0.00 N ATOM 813 NH2 ARG A 62 -10.654 4.461 -1.608 1.00 0.00 N ATOM 0 H ARG A 62 -5.067 3.816 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.002 3.808 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.319 2.205 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.424 1.258 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.387 3.680 -5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.227 2.118 -5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.524 2.484 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.769 1.099 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.770 2.213 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.567 4.440 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.091 5.722 -3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.441 3.870 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.020 5.402 -1.466 1.00 0.00 H new ATOM 827 N VAL A 63 -7.749 2.560 -0.577 1.00 0.00 N ATOM 828 CA VAL A 63 -7.607 1.892 0.713 1.00 0.00 C ATOM 829 C VAL A 63 -7.634 0.372 0.556 1.00 0.00 C ATOM 830 O VAL A 63 -8.591 -0.287 0.962 1.00 0.00 O ATOM 831 CB VAL A 63 -8.721 2.316 1.690 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.470 1.734 3.074 1.00 0.00 C ATOM 833 CG2 VAL A 63 -8.828 3.833 1.755 1.00 0.00 C ATOM 0 H VAL A 63 -8.625 3.069 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.642 2.194 1.119 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.668 1.923 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.267 2.045 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.450 0.646 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.513 2.094 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.620 4.112 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.881 4.250 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.060 4.224 0.764 1.00 0.00 H new ATOM 843 N ASN A 64 -6.572 -0.179 -0.035 1.00 0.00 N ATOM 844 CA ASN A 64 -6.467 -1.625 -0.247 1.00 0.00 C ATOM 845 C ASN A 64 -5.322 -1.972 -1.201 1.00 0.00 C ATOM 846 O ASN A 64 -4.840 -3.105 -1.216 1.00 0.00 O ATOM 847 CB ASN A 64 -7.779 -2.192 -0.801 1.00 0.00 C ATOM 848 CG ASN A 64 -8.383 -1.309 -1.875 1.00 0.00 C ATOM 849 OD1 ASN A 64 -7.959 -1.335 -3.029 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.382 -0.519 -1.497 1.00 0.00 N ATOM 0 H ASN A 64 -5.772 0.354 -0.376 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.260 -2.076 0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.598 -3.186 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.494 -2.309 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.829 0.098 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.702 -0.530 -0.529 1.00 0.00 H new ATOM 857 N ASP A 65 -4.895 -0.998 -2.002 1.00 0.00 N ATOM 858 CA ASP A 65 -3.817 -1.210 -2.961 1.00 0.00 C ATOM 859 C ASP A 65 -2.551 -1.707 -2.273 1.00 0.00 C ATOM 860 O ASP A 65 -2.231 -1.289 -1.159 1.00 0.00 O ATOM 861 CB ASP A 65 -3.524 0.085 -3.720 1.00 0.00 C ATOM 862 CG ASP A 65 -4.351 0.215 -4.984 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.391 -0.473 -5.087 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.963 1.004 -5.870 1.00 0.00 O ATOM 0 H ASP A 65 -5.281 -0.054 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.142 -1.976 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.723 0.937 -3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.465 0.121 -3.977 1.00 0.00 H new ATOM 869 N GLN A 66 -1.835 -2.600 -2.952 1.00 0.00 N ATOM 870 CA GLN A 66 -0.598 -3.163 -2.420 1.00 0.00 C ATOM 871 C GLN A 66 0.597 -2.292 -2.799 1.00 0.00 C ATOM 872 O GLN A 66 0.770 -1.932 -3.963 1.00 0.00 O ATOM 873 CB GLN A 66 -0.401 -4.587 -2.952 1.00 0.00 C ATOM 874 CG GLN A 66 0.960 -5.185 -2.629 1.00 0.00 C ATOM 875 CD GLN A 66 0.866 -6.404 -1.736 1.00 0.00 C ATOM 876 OE1 GLN A 66 -0.128 -7.129 -1.755 1.00 0.00 O ATOM 877 NE2 GLN A 66 1.905 -6.635 -0.944 1.00 0.00 N ATOM 0 H GLN A 66 -2.092 -2.950 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.670 -3.194 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.177 -5.230 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.537 -4.582 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.462 -5.458 -3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.578 -4.430 -2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.709 -6.007 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.900 -7.440 -0.318 1.00 0.00 H new ATOM 886 N LEU A 67 1.423 -1.961 -1.810 1.00 0.00 N ATOM 887 CA LEU A 67 2.605 -1.140 -2.045 1.00 0.00 C ATOM 888 C LEU A 67 3.770 -1.999 -2.524 1.00 0.00 C ATOM 889 O LEU A 67 4.067 -3.040 -1.937 1.00 0.00 O ATOM 890 CB LEU A 67 2.999 -0.392 -0.772 1.00 0.00 C ATOM 891 CG LEU A 67 2.010 0.684 -0.325 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.444 1.289 1.002 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.874 1.764 -1.389 1.00 0.00 C ATOM 0 H LEU A 67 1.295 -2.249 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 67 2.364 -0.413 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.116 -1.115 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.973 0.072 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 67 1.035 0.218 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.728 2.053 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.485 0.508 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.430 1.739 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.165 2.520 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.845 2.228 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.514 1.318 -2.316 1.00 0.00 H new ATOM 905 N ILE A 68 4.419 -1.564 -3.597 1.00 0.00 N ATOM 906 CA ILE A 68 5.545 -2.305 -4.154 1.00 0.00 C ATOM 907 C ILE A 68 6.797 -1.439 -4.283 1.00 0.00 C ATOM 908 O ILE A 68 7.910 -1.959 -4.336 1.00 0.00 O ATOM 909 CB ILE A 68 5.196 -2.894 -5.535 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.858 -3.634 -5.472 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.304 -3.825 -6.008 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.466 -4.293 -6.776 1.00 0.00 C ATOM 0 H ILE A 68 4.187 -0.706 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 68 5.754 -3.115 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 68 5.105 -2.078 -6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.909 -4.394 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.077 -2.931 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.044 -4.234 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.238 -3.269 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.424 -4.640 -5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.508 -4.798 -6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.381 -3.536 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.226 -5.021 -7.059 1.00 0.00 H new ATOM 924 N ALA A 69 6.618 -0.121 -4.341 1.00 0.00 N ATOM 925 CA ALA A 69 7.755 0.786 -4.469 1.00 0.00 C ATOM 926 C ALA A 69 7.410 2.194 -3.995 1.00 0.00 C ATOM 927 O ALA A 69 6.245 2.590 -3.978 1.00 0.00 O ATOM 928 CB ALA A 69 8.239 0.814 -5.912 1.00 0.00 C ATOM 0 H ALA A 69 5.708 0.338 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 69 8.555 0.413 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.087 1.493 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.544 -0.188 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.432 1.157 -6.560 1.00 0.00 H new ATOM 934 N VAL A 70 8.441 2.946 -3.613 1.00 0.00 N ATOM 935 CA VAL A 70 8.264 4.316 -3.139 1.00 0.00 C ATOM 936 C VAL A 70 9.521 5.146 -3.387 1.00 0.00 C ATOM 937 O VAL A 70 10.580 4.870 -2.824 1.00 0.00 O ATOM 938 CB VAL A 70 7.921 4.358 -1.635 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.049 3.755 -0.809 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.625 5.784 -1.190 1.00 0.00 C ATOM 0 H VAL A 70 9.410 2.628 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 70 7.431 4.739 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 70 7.025 3.760 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.787 3.794 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.203 2.718 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.966 4.321 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.386 5.791 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.499 6.410 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.778 6.173 -1.755 1.00 0.00 H new ATOM 950 N ASN A 71 9.394 6.163 -4.234 1.00 0.00 N ATOM 951 CA ASN A 71 10.520 7.032 -4.557 1.00 0.00 C ATOM 952 C ASN A 71 11.654 6.243 -5.200 1.00 0.00 C ATOM 953 O ASN A 71 12.829 6.538 -4.987 1.00 0.00 O ATOM 954 CB ASN A 71 11.028 7.736 -3.297 1.00 0.00 C ATOM 955 CG ASN A 71 10.019 8.719 -2.736 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.445 8.387 -1.586 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 9.760 9.766 -3.330 1.00 0.00 N flip ATOM 0 H ASN A 71 8.524 6.405 -4.708 1.00 0.00 H new ATOM 0 HA ASN A 71 10.172 7.780 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.265 6.990 -2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.954 8.262 -3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.226 9.981 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.080 10.419 -2.940 1.00 0.00 H new ATOM 964 N GLY A 72 11.295 5.235 -5.990 1.00 0.00 N ATOM 965 CA GLY A 72 12.296 4.420 -6.652 1.00 0.00 C ATOM 966 C GLY A 72 12.620 3.154 -5.882 1.00 0.00 C ATOM 967 O GLY A 72 13.067 2.165 -6.462 1.00 0.00 O ATOM 0 H GLY A 72 10.329 4.969 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.942 4.154 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.207 5.005 -6.783 1.00 0.00 H new ATOM 971 N GLU A 73 12.392 3.183 -4.572 1.00 0.00 N ATOM 972 CA GLU A 73 12.663 2.027 -3.726 1.00 0.00 C ATOM 973 C GLU A 73 11.655 0.915 -3.997 1.00 0.00 C ATOM 974 O GLU A 73 10.546 1.171 -4.462 1.00 0.00 O ATOM 975 CB GLU A 73 12.621 2.428 -2.249 1.00 0.00 C ATOM 976 CG GLU A 73 13.992 2.480 -1.596 1.00 0.00 C ATOM 977 CD GLU A 73 14.752 1.176 -1.736 1.00 0.00 C ATOM 978 OE1 GLU A 73 14.109 0.106 -1.702 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.993 1.226 -1.877 1.00 0.00 O ATOM 0 H GLU A 73 12.021 3.993 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 73 13.660 1.655 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.147 3.406 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.995 1.720 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.574 3.286 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.878 2.719 -0.539 1.00 0.00 H new ATOM 986 N SER A 74 12.050 -0.320 -3.707 1.00 0.00 N ATOM 987 CA SER A 74 11.180 -1.472 -3.921 1.00 0.00 C ATOM 988 C SER A 74 10.752 -2.087 -2.594 1.00 0.00 C ATOM 989 O SER A 74 11.565 -2.661 -1.870 1.00 0.00 O ATOM 990 CB SER A 74 11.893 -2.519 -4.780 1.00 0.00 C ATOM 991 OG SER A 74 11.262 -3.783 -4.670 1.00 0.00 O ATOM 0 H SER A 74 12.967 -0.550 -3.323 1.00 0.00 H new ATOM 0 HA SER A 74 10.286 -1.131 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.895 -2.199 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.935 -2.601 -4.470 1.00 0.00 H new ATOM 0 HG SER A 74 11.735 -4.434 -5.229 1.00 0.00 H new ATOM 997 N LEU A 75 9.467 -1.957 -2.279 1.00 0.00 N ATOM 998 CA LEU A 75 8.921 -2.494 -1.036 1.00 0.00 C ATOM 999 C LEU A 75 8.728 -4.007 -1.121 1.00 0.00 C ATOM 1000 O LEU A 75 8.704 -4.695 -0.100 1.00 0.00 O ATOM 1001 CB LEU A 75 7.583 -1.822 -0.719 1.00 0.00 C ATOM 1002 CG LEU A 75 7.647 -0.315 -0.452 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.317 0.184 0.094 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.775 0.009 0.513 1.00 0.00 C ATOM 0 H LEU A 75 8.783 -1.483 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 75 9.635 -2.285 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.902 -1.997 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.150 -2.310 0.154 1.00 0.00 H new ATOM 0 HG LEU A 75 7.846 0.194 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.379 1.256 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.528 -0.014 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.090 -0.332 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.805 1.084 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.607 -0.510 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.724 -0.314 0.085 1.00 0.00 H new ATOM 1016 N LEU A 76 8.581 -4.519 -2.342 1.00 0.00 N ATOM 1017 CA LEU A 76 8.378 -5.953 -2.557 1.00 0.00 C ATOM 1018 C LEU A 76 9.354 -6.786 -1.728 1.00 0.00 C ATOM 1019 O LEU A 76 8.956 -7.451 -0.770 1.00 0.00 O ATOM 1020 CB LEU A 76 8.529 -6.293 -4.043 1.00 0.00 C ATOM 1021 CG LEU A 76 7.380 -7.111 -4.634 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.486 -7.162 -6.150 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.373 -8.517 -4.051 1.00 0.00 C ATOM 0 H LEU A 76 8.598 -3.964 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 76 7.366 -6.198 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.622 -5.364 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.459 -6.845 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 76 6.440 -6.625 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.660 -7.748 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.443 -6.150 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.431 -7.625 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.549 -9.086 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.316 -9.012 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.249 -8.462 -2.970 1.00 0.00 H new ATOM 1035 N GLY A 77 10.632 -6.743 -2.096 1.00 0.00 N ATOM 1036 CA GLY A 77 11.638 -7.499 -1.368 1.00 0.00 C ATOM 1037 C GLY A 77 11.594 -7.234 0.126 1.00 0.00 C ATOM 1038 O GLY A 77 12.009 -8.072 0.927 1.00 0.00 O ATOM 0 H GLY A 77 10.988 -6.200 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.490 -8.564 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.627 -7.245 -1.750 1.00 0.00 H new ATOM 1042 N LYS A 78 11.088 -6.063 0.496 1.00 0.00 N ATOM 1043 CA LYS A 78 10.983 -5.677 1.900 1.00 0.00 C ATOM 1044 C LYS A 78 9.755 -6.290 2.544 1.00 0.00 C ATOM 1045 O LYS A 78 8.697 -6.394 1.926 1.00 0.00 O ATOM 1046 CB LYS A 78 10.915 -4.159 2.023 1.00 0.00 C ATOM 1047 CG LYS A 78 12.278 -3.496 2.066 1.00 0.00 C ATOM 1048 CD LYS A 78 12.196 -2.056 2.533 1.00 0.00 C ATOM 1049 CE LYS A 78 11.212 -1.255 1.704 1.00 0.00 C ATOM 1050 NZ LYS A 78 11.808 -0.811 0.413 1.00 0.00 N ATOM 0 H LYS A 78 10.743 -5.361 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 78 11.869 -6.047 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.351 -3.759 1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.364 -3.900 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.933 -4.057 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.729 -3.530 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.896 -2.029 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.183 -1.597 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.327 -1.859 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.883 -0.384 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.315 0.041 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.816 -0.596 0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.710 -1.568 -0.293 1.00 0.00 H new ATOM 1064 N ALA A 79 9.902 -6.674 3.801 1.00 0.00 N ATOM 1065 CA ALA A 79 8.805 -7.255 4.545 1.00 0.00 C ATOM 1066 C ALA A 79 7.837 -6.159 4.962 1.00 0.00 C ATOM 1067 O ALA A 79 7.953 -5.019 4.513 1.00 0.00 O ATOM 1068 CB ALA A 79 9.328 -8.002 5.759 1.00 0.00 C ATOM 0 H ALA A 79 10.773 -6.592 4.325 1.00 0.00 H new ATOM 0 HA ALA A 79 8.278 -7.968 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.492 -8.434 6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.999 -8.798 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.870 -7.312 6.406 1.00 0.00 H new ATOM 1074 N ASN A 80 6.893 -6.497 5.820 1.00 0.00 N ATOM 1075 CA ASN A 80 5.925 -5.519 6.284 1.00 0.00 C ATOM 1076 C ASN A 80 6.621 -4.405 7.062 1.00 0.00 C ATOM 1077 O ASN A 80 6.330 -3.227 6.870 1.00 0.00 O ATOM 1078 CB ASN A 80 4.869 -6.195 7.162 1.00 0.00 C ATOM 1079 CG ASN A 80 5.477 -6.877 8.370 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.596 -6.280 9.440 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.865 -8.134 8.202 1.00 0.00 N ATOM 0 H ASN A 80 6.775 -7.433 6.208 1.00 0.00 H new ATOM 0 HA ASN A 80 5.433 -5.081 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.145 -5.451 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.323 -6.929 6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.282 -8.647 8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.746 -8.588 7.296 1.00 0.00 H new ATOM 1088 N GLN A 81 7.534 -4.794 7.947 1.00 0.00 N ATOM 1089 CA GLN A 81 8.269 -3.839 8.773 1.00 0.00 C ATOM 1090 C GLN A 81 9.268 -2.999 7.971 1.00 0.00 C ATOM 1091 O GLN A 81 9.418 -1.803 8.224 1.00 0.00 O ATOM 1092 CB GLN A 81 9.002 -4.573 9.899 1.00 0.00 C ATOM 1093 CG GLN A 81 9.792 -5.783 9.424 1.00 0.00 C ATOM 1094 CD GLN A 81 11.268 -5.688 9.764 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.851 -4.516 9.545 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 11.874 -6.656 10.219 1.00 0.00 N flip ATOM 0 H GLN A 81 7.784 -5.769 8.112 1.00 0.00 H new ATOM 0 HA GLN A 81 7.532 -3.152 9.188 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.681 -3.878 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.275 -4.894 10.645 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.376 -6.684 9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.678 -5.886 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.385 -7.538 10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.866 -6.577 10.444 1.00 0.00 H new ATOM 1105 N GLU A 82 9.965 -3.619 7.020 1.00 0.00 N ATOM 1106 CA GLU A 82 10.954 -2.903 6.225 1.00 0.00 C ATOM 1107 C GLU A 82 10.292 -1.884 5.310 1.00 0.00 C ATOM 1108 O GLU A 82 10.766 -0.755 5.180 1.00 0.00 O ATOM 1109 CB GLU A 82 11.788 -3.886 5.401 1.00 0.00 C ATOM 1110 CG GLU A 82 12.471 -4.955 6.240 1.00 0.00 C ATOM 1111 CD GLU A 82 13.940 -4.662 6.472 1.00 0.00 C ATOM 1112 OE1 GLU A 82 14.714 -4.691 5.491 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.318 -4.406 7.635 1.00 0.00 O ATOM 0 H GLU A 82 9.863 -4.606 6.785 1.00 0.00 H new ATOM 0 HA GLU A 82 11.610 -2.368 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.144 -4.369 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.545 -3.332 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.964 -5.036 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.371 -5.920 5.744 1.00 0.00 H new ATOM 1120 N ALA A 83 9.196 -2.279 4.682 1.00 0.00 N ATOM 1121 CA ALA A 83 8.480 -1.385 3.791 1.00 0.00 C ATOM 1122 C ALA A 83 7.810 -0.282 4.589 1.00 0.00 C ATOM 1123 O ALA A 83 7.684 0.852 4.126 1.00 0.00 O ATOM 1124 CB ALA A 83 7.464 -2.157 2.966 1.00 0.00 C ATOM 0 H ALA A 83 8.786 -3.208 4.773 1.00 0.00 H new ATOM 0 HA ALA A 83 9.191 -0.927 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.936 -1.471 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.977 -2.913 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.749 -2.642 3.630 1.00 0.00 H new ATOM 1130 N MET A 84 7.391 -0.625 5.801 1.00 0.00 N ATOM 1131 CA MET A 84 6.741 0.336 6.679 1.00 0.00 C ATOM 1132 C MET A 84 7.736 1.392 7.141 1.00 0.00 C ATOM 1133 O MET A 84 7.372 2.543 7.382 1.00 0.00 O ATOM 1134 CB MET A 84 6.123 -0.361 7.886 1.00 0.00 C ATOM 1135 CG MET A 84 4.611 -0.413 7.816 1.00 0.00 C ATOM 1136 SD MET A 84 3.899 -1.577 8.985 1.00 0.00 S ATOM 1137 CE MET A 84 3.881 -3.049 7.973 1.00 0.00 C ATOM 0 H MET A 84 7.490 -1.560 6.196 1.00 0.00 H new ATOM 0 HA MET A 84 5.945 0.822 6.116 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.515 -1.376 7.955 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.423 0.160 8.795 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.209 0.581 8.010 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.308 -0.688 6.806 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.874 -3.465 7.954 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.188 -2.797 6.958 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.570 -3.784 8.388 1.00 0.00 H new ATOM 1147 N GLU A 85 8.999 0.992 7.252 1.00 0.00 N ATOM 1148 CA GLU A 85 10.051 1.902 7.673 1.00 0.00 C ATOM 1149 C GLU A 85 10.462 2.780 6.504 1.00 0.00 C ATOM 1150 O GLU A 85 10.675 3.975 6.659 1.00 0.00 O ATOM 1151 CB GLU A 85 11.248 1.111 8.232 1.00 0.00 C ATOM 1152 CG GLU A 85 12.434 1.000 7.282 1.00 0.00 C ATOM 1153 CD GLU A 85 13.600 0.246 7.893 1.00 0.00 C ATOM 1154 OE1 GLU A 85 14.384 0.869 8.640 1.00 0.00 O ATOM 1155 OE2 GLU A 85 13.727 -0.966 7.624 1.00 0.00 O ATOM 0 H GLU A 85 9.316 0.043 7.055 1.00 0.00 H new ATOM 0 HA GLU A 85 9.680 2.545 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.582 1.586 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.913 0.107 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.118 0.496 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.762 2.000 6.997 1.00 0.00 H new ATOM 1162 N THR A 86 10.534 2.181 5.324 1.00 0.00 N ATOM 1163 CA THR A 86 10.876 2.917 4.123 1.00 0.00 C ATOM 1164 C THR A 86 9.789 3.951 3.857 1.00 0.00 C ATOM 1165 O THR A 86 10.060 5.060 3.398 1.00 0.00 O ATOM 1166 CB THR A 86 11.020 1.958 2.940 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.324 1.406 2.903 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.755 2.600 1.592 1.00 0.00 C ATOM 0 H THR A 86 10.360 1.187 5.176 1.00 0.00 H new ATOM 0 HA THR A 86 11.831 3.426 4.256 1.00 0.00 H new ATOM 0 HB THR A 86 10.263 1.191 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.632 1.356 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.877 1.856 0.805 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.737 2.990 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.460 3.416 1.433 1.00 0.00 H new ATOM 1176 N LEU A 87 8.555 3.575 4.184 1.00 0.00 N ATOM 1177 CA LEU A 87 7.416 4.463 4.020 1.00 0.00 C ATOM 1178 C LEU A 87 7.528 5.592 5.026 1.00 0.00 C ATOM 1179 O LEU A 87 7.470 6.766 4.667 1.00 0.00 O ATOM 1180 CB LEU A 87 6.104 3.701 4.220 1.00 0.00 C ATOM 1181 CG LEU A 87 5.730 2.747 3.086 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.845 1.624 3.602 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.035 3.504 1.962 1.00 0.00 C ATOM 0 H LEU A 87 8.322 2.658 4.565 1.00 0.00 H new ATOM 0 HA LEU A 87 7.416 4.869 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.170 3.131 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.298 4.423 4.347 1.00 0.00 H new ATOM 0 HG LEU A 87 6.645 2.306 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.589 0.955 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.378 1.066 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.933 2.045 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.775 2.810 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.128 3.972 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.703 4.272 1.573 1.00 0.00 H new ATOM 1195 N ARG A 88 7.727 5.226 6.290 1.00 0.00 N ATOM 1196 CA ARG A 88 7.889 6.213 7.343 1.00 0.00 C ATOM 1197 C ARG A 88 9.129 7.058 7.056 1.00 0.00 C ATOM 1198 O ARG A 88 9.193 8.236 7.403 1.00 0.00 O ATOM 1199 CB ARG A 88 7.983 5.535 8.721 1.00 0.00 C ATOM 1200 CG ARG A 88 9.392 5.146 9.142 1.00 0.00 C ATOM 1201 CD ARG A 88 9.393 4.402 10.468 1.00 0.00 C ATOM 1202 NE ARG A 88 8.562 3.202 10.423 1.00 0.00 N ATOM 1203 CZ ARG A 88 8.424 2.356 11.442 1.00 0.00 C ATOM 1204 NH1 ARG A 88 9.058 2.578 12.587 1.00 0.00 N ATOM 1205 NH2 ARG A 88 7.650 1.288 11.315 1.00 0.00 N ATOM 0 H ARG A 88 7.779 4.257 6.604 1.00 0.00 H new ATOM 0 HA ARG A 88 7.015 6.864 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.567 6.207 9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.360 4.640 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.843 4.520 8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.008 6.041 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.415 4.126 10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.032 5.064 11.255 1.00 0.00 H new ATOM 0 HE ARG A 88 8.057 3.000 9.560 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.654 3.399 12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.949 1.927 13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.160 1.114 10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.544 0.639 12.095 1.00 0.00 H new ATOM 1219 N ARG A 89 10.099 6.436 6.388 1.00 0.00 N ATOM 1220 CA ARG A 89 11.335 7.110 6.015 1.00 0.00 C ATOM 1221 C ARG A 89 11.069 8.098 4.885 1.00 0.00 C ATOM 1222 O ARG A 89 11.609 9.206 4.870 1.00 0.00 O ATOM 1223 CB ARG A 89 12.396 6.069 5.615 1.00 0.00 C ATOM 1224 CG ARG A 89 13.033 6.277 4.250 1.00 0.00 C ATOM 1225 CD ARG A 89 14.397 5.617 4.182 1.00 0.00 C ATOM 1226 NE ARG A 89 14.969 5.671 2.839 1.00 0.00 N ATOM 1227 CZ ARG A 89 14.618 4.852 1.851 1.00 0.00 C ATOM 1228 NH1 ARG A 89 13.697 3.917 2.049 1.00 0.00 N ATOM 1229 NH2 ARG A 89 15.189 4.969 0.660 1.00 0.00 N ATOM 0 H ARG A 89 10.049 5.461 6.094 1.00 0.00 H new ATOM 0 HA ARG A 89 11.717 7.672 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.184 6.070 6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.937 5.081 5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.386 5.864 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.130 7.344 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 89 15.072 6.108 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.312 4.577 4.497 1.00 0.00 H new ATOM 0 HE ARG A 89 15.679 6.378 2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.254 3.823 2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.432 3.292 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.897 5.686 0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.921 4.342 -0.098 1.00 0.00 H new ATOM 1243 N SER A 90 10.224 7.691 3.942 1.00 0.00 N ATOM 1244 CA SER A 90 9.875 8.539 2.812 1.00 0.00 C ATOM 1245 C SER A 90 8.975 9.681 3.264 1.00 0.00 C ATOM 1246 O SER A 90 9.121 10.820 2.818 1.00 0.00 O ATOM 1247 CB SER A 90 9.179 7.720 1.724 1.00 0.00 C ATOM 1248 OG SER A 90 10.103 7.291 0.738 1.00 0.00 O ATOM 0 H SER A 90 9.769 6.778 3.940 1.00 0.00 H new ATOM 0 HA SER A 90 10.793 8.958 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.692 6.854 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.397 8.319 1.258 1.00 0.00 H new ATOM 0 HG SER A 90 10.079 7.908 -0.023 1.00 0.00 H new ATOM 1254 N MET A 91 8.050 9.366 4.161 1.00 0.00 N ATOM 1255 CA MET A 91 7.127 10.359 4.693 1.00 0.00 C ATOM 1256 C MET A 91 7.816 11.220 5.749 1.00 0.00 C ATOM 1257 O MET A 91 7.307 12.271 6.137 1.00 0.00 O ATOM 1258 CB MET A 91 5.904 9.675 5.313 1.00 0.00 C ATOM 1259 CG MET A 91 5.402 8.475 4.524 1.00 0.00 C ATOM 1260 SD MET A 91 3.765 8.735 3.819 1.00 0.00 S ATOM 1261 CE MET A 91 3.896 7.753 2.329 1.00 0.00 C ATOM 0 H MET A 91 7.919 8.427 4.536 1.00 0.00 H new ATOM 0 HA MET A 91 6.804 10.995 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.154 9.354 6.324 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.098 10.403 5.400 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.106 8.253 3.722 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.377 7.602 5.177 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.898 7.511 1.964 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.435 8.317 1.568 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.435 6.831 2.547 1.00 0.00 H new ATOM 1271 N SER A 92 8.967 10.752 6.228 1.00 0.00 N ATOM 1272 CA SER A 92 9.715 11.464 7.259 1.00 0.00 C ATOM 1273 C SER A 92 10.629 12.540 6.682 1.00 0.00 C ATOM 1274 O SER A 92 10.577 13.696 7.106 1.00 0.00 O ATOM 1275 CB SER A 92 10.544 10.477 8.083 1.00 0.00 C ATOM 1276 OG SER A 92 11.489 11.157 8.893 1.00 0.00 O ATOM 0 H SER A 92 9.401 9.883 5.918 1.00 0.00 H new ATOM 0 HA SER A 92 8.983 11.962 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.884 9.879 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.061 9.786 7.417 1.00 0.00 H new ATOM 0 HG SER A 92 12.005 10.505 9.411 1.00 0.00 H new ATOM 1282 N THR A 93 11.482 12.162 5.736 1.00 0.00 N ATOM 1283 CA THR A 93 12.417 13.117 5.146 1.00 0.00 C ATOM 1284 C THR A 93 13.196 12.516 3.976 1.00 0.00 C ATOM 1285 O THR A 93 14.428 12.522 3.973 1.00 0.00 O ATOM 1286 CB THR A 93 13.401 13.581 6.214 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.304 14.539 5.688 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.212 12.441 6.784 1.00 0.00 C ATOM 0 H THR A 93 11.547 11.214 5.364 1.00 0.00 H new ATOM 0 HA THR A 93 11.835 13.956 4.763 1.00 0.00 H new ATOM 0 HB THR A 93 12.797 14.019 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.833 14.131 4.971 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.897 12.824 7.540 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.543 11.710 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.782 11.965 5.986 1.00 0.00 H new ATOM 1296 N GLU A 94 12.483 12.012 2.983 1.00 0.00 N ATOM 1297 CA GLU A 94 13.114 11.424 1.806 1.00 0.00 C ATOM 1298 C GLU A 94 12.139 11.455 0.649 1.00 0.00 C ATOM 1299 O GLU A 94 12.458 11.926 -0.442 1.00 0.00 O ATOM 1300 CB GLU A 94 13.554 9.984 2.080 1.00 0.00 C ATOM 1301 CG GLU A 94 14.557 9.849 3.214 1.00 0.00 C ATOM 1302 CD GLU A 94 15.888 10.499 2.896 1.00 0.00 C ATOM 1303 OE1 GLU A 94 16.309 10.449 1.721 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.511 11.060 3.824 1.00 0.00 O ATOM 0 H GLU A 94 11.463 11.997 2.966 1.00 0.00 H new ATOM 0 HA GLU A 94 14.002 12.006 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.674 9.384 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.990 9.569 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.143 10.300 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.715 8.792 3.430 1.00 0.00 H new ATOM 1311 N GLY A 95 10.930 10.985 0.915 1.00 0.00 N ATOM 1312 CA GLY A 95 9.903 11.003 -0.095 1.00 0.00 C ATOM 1313 C GLY A 95 9.535 12.426 -0.441 1.00 0.00 C ATOM 1314 O GLY A 95 9.106 12.715 -1.555 1.00 0.00 O ATOM 0 H GLY A 95 10.646 10.593 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.251 10.483 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.023 10.469 0.262 1.00 0.00 H new ATOM 1318 N ASN A 96 9.732 13.322 0.524 1.00 0.00 N ATOM 1319 CA ASN A 96 9.446 14.730 0.326 1.00 0.00 C ATOM 1320 C ASN A 96 10.702 15.450 -0.172 1.00 0.00 C ATOM 1321 O ASN A 96 11.144 15.211 -1.291 1.00 0.00 O ATOM 1322 CB ASN A 96 8.922 15.362 1.623 1.00 0.00 C ATOM 1323 CG ASN A 96 8.623 16.845 1.473 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.185 17.248 0.286 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 8.785 17.619 2.416 1.00 0.00 N flip ATOM 0 H ASN A 96 10.090 13.091 1.451 1.00 0.00 H new ATOM 0 HA ASN A 96 8.667 14.832 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.016 14.843 1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.659 15.222 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.124 17.268 3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.581 18.612 2.302 1.00 0.00 H new ATOM 1332 N LYS A 97 11.283 16.324 0.653 1.00 0.00 N ATOM 1333 CA LYS A 97 12.486 17.049 0.266 1.00 0.00 C ATOM 1334 C LYS A 97 12.292 17.804 -1.056 1.00 0.00 C ATOM 1335 O LYS A 97 13.252 18.315 -1.630 1.00 0.00 O ATOM 1336 CB LYS A 97 13.660 16.071 0.151 1.00 0.00 C ATOM 1337 CG LYS A 97 13.984 15.355 1.453 1.00 0.00 C ATOM 1338 CD LYS A 97 14.180 16.337 2.597 1.00 0.00 C ATOM 1339 CE LYS A 97 12.909 16.497 3.416 1.00 0.00 C ATOM 1340 NZ LYS A 97 13.202 16.736 4.856 1.00 0.00 N ATOM 0 H LYS A 97 10.939 16.543 1.588 1.00 0.00 H new ATOM 0 HA LYS A 97 12.700 17.789 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.431 15.330 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.543 16.614 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.178 14.664 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.887 14.758 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.988 15.991 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.482 17.306 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.325 17.329 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.296 15.601 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.319 16.688 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.863 16.011 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.630 17.677 4.972 1.00 0.00 H new ATOM 1354 N ARG A 98 11.046 17.869 -1.539 1.00 0.00 N ATOM 1355 CA ARG A 98 10.737 18.558 -2.790 1.00 0.00 C ATOM 1356 C ARG A 98 9.309 19.093 -2.765 1.00 0.00 C ATOM 1357 O ARG A 98 9.045 20.223 -3.180 1.00 0.00 O ATOM 1358 CB ARG A 98 10.899 17.621 -4.000 1.00 0.00 C ATOM 1359 CG ARG A 98 11.802 16.414 -3.771 1.00 0.00 C ATOM 1360 CD ARG A 98 11.048 15.105 -3.947 1.00 0.00 C ATOM 1361 NE ARG A 98 10.661 14.878 -5.336 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.195 13.718 -5.797 1.00 0.00 C ATOM 1363 NH1 ARG A 98 10.055 12.680 -4.981 1.00 0.00 N ATOM 1364 NH2 ARG A 98 9.865 13.598 -7.075 1.00 0.00 N ATOM 0 H ARG A 98 10.237 17.451 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 98 11.440 19.385 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.913 17.265 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.296 18.198 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.639 16.448 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.222 16.459 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.672 14.279 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.157 15.113 -3.319 1.00 0.00 H new ATOM 0 HE ARG A 98 10.753 15.653 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.305 12.768 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.698 11.794 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.968 14.393 -7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.508 12.710 -7.428 1.00 0.00 H new ATOM 1378 N GLY A 99 8.396 18.262 -2.284 1.00 0.00 N ATOM 1379 CA GLY A 99 6.994 18.635 -2.213 1.00 0.00 C ATOM 1380 C GLY A 99 6.077 17.529 -2.713 1.00 0.00 C ATOM 1381 O GLY A 99 4.910 17.772 -3.014 1.00 0.00 O ATOM 0 H GLY A 99 8.603 17.325 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.737 18.879 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.829 19.536 -2.804 1.00 0.00 H new ATOM 1385 N MET A 100 6.616 16.312 -2.804 1.00 0.00 N ATOM 1386 CA MET A 100 5.859 15.162 -3.271 1.00 0.00 C ATOM 1387 C MET A 100 6.716 13.899 -3.233 1.00 0.00 C ATOM 1388 O MET A 100 7.943 13.975 -3.206 1.00 0.00 O ATOM 1389 CB MET A 100 5.355 15.412 -4.692 1.00 0.00 C ATOM 1390 CG MET A 100 6.427 15.280 -5.764 1.00 0.00 C ATOM 1391 SD MET A 100 5.894 14.273 -7.163 1.00 0.00 S ATOM 1392 CE MET A 100 5.338 12.794 -6.317 1.00 0.00 C ATOM 0 H MET A 100 7.583 16.102 -2.557 1.00 0.00 H new ATOM 0 HA MET A 100 5.005 15.017 -2.609 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.551 14.709 -4.909 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.927 16.413 -4.743 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.703 16.273 -6.120 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.322 14.839 -5.325 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.247 11.978 -7.033 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.060 12.522 -5.547 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.369 12.982 -5.855 1.00 0.00 H new ATOM 1402 N ILE A 101 6.062 12.741 -3.240 1.00 0.00 N ATOM 1403 CA ILE A 101 6.773 11.465 -3.212 1.00 0.00 C ATOM 1404 C ILE A 101 6.099 10.448 -4.131 1.00 0.00 C ATOM 1405 O ILE A 101 4.875 10.421 -4.252 1.00 0.00 O ATOM 1406 CB ILE A 101 6.889 10.901 -1.766 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.314 9.485 -1.651 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.206 11.823 -0.769 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.485 8.887 -0.271 1.00 0.00 C ATOM 0 H ILE A 101 5.046 12.659 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 101 7.784 11.648 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 101 7.952 10.848 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.254 9.508 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.801 8.841 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.300 11.408 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.676 12.806 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.151 11.918 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.058 7.884 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.546 8.834 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.974 9.512 0.462 1.00 0.00 H new ATOM 1421 N GLN A 102 6.911 9.615 -4.777 1.00 0.00 N ATOM 1422 CA GLN A 102 6.395 8.599 -5.685 1.00 0.00 C ATOM 1423 C GLN A 102 6.070 7.318 -4.928 1.00 0.00 C ATOM 1424 O GLN A 102 6.801 6.918 -4.024 1.00 0.00 O ATOM 1425 CB GLN A 102 7.412 8.309 -6.790 1.00 0.00 C ATOM 1426 CG GLN A 102 6.784 7.798 -8.077 1.00 0.00 C ATOM 1427 CD GLN A 102 7.686 6.834 -8.823 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.488 5.619 -8.778 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.682 7.371 -9.515 1.00 0.00 N ATOM 0 H GLN A 102 7.927 9.625 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 102 5.479 8.978 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.972 9.219 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.129 7.572 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.841 7.302 -7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.549 8.644 -8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.809 8.383 -9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.321 6.772 -10.038 1.00 0.00 H new ATOM 1438 N LEU A 103 4.965 6.683 -5.300 1.00 0.00 N ATOM 1439 CA LEU A 103 4.546 5.451 -4.649 1.00 0.00 C ATOM 1440 C LEU A 103 3.906 4.492 -5.646 1.00 0.00 C ATOM 1441 O LEU A 103 2.822 4.753 -6.169 1.00 0.00 O ATOM 1442 CB LEU A 103 3.559 5.759 -3.521 1.00 0.00 C ATOM 1443 CG LEU A 103 4.204 6.137 -2.184 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.427 7.258 -1.514 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.285 4.922 -1.272 1.00 0.00 C ATOM 0 H LEU A 103 4.346 7.000 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 103 5.433 4.973 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.910 6.576 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.922 4.888 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 103 5.217 6.491 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.900 7.513 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.420 8.134 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.403 6.933 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.746 5.207 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.282 4.539 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.886 4.148 -1.749 1.00 0.00 H new ATOM 1457 N ILE A 104 4.580 3.374 -5.895 1.00 0.00 N ATOM 1458 CA ILE A 104 4.070 2.369 -6.817 1.00 0.00 C ATOM 1459 C ILE A 104 3.308 1.294 -6.059 1.00 0.00 C ATOM 1460 O ILE A 104 3.690 0.908 -4.954 1.00 0.00 O ATOM 1461 CB ILE A 104 5.200 1.709 -7.630 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.981 2.764 -8.405 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.635 0.663 -8.581 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.113 3.645 -9.279 1.00 0.00 C ATOM 0 H ILE A 104 5.479 3.143 -5.472 1.00 0.00 H new ATOM 0 HA ILE A 104 3.402 2.880 -7.510 1.00 0.00 H new ATOM 0 HB ILE A 104 5.879 1.212 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.525 3.391 -7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.724 2.268 -9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.448 0.208 -9.146 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.116 -0.106 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.936 1.137 -9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.738 4.371 -9.799 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.588 3.029 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.387 4.170 -8.659 1.00 0.00 H new ATOM 1476 N VAL A 105 2.227 0.822 -6.657 1.00 0.00 N ATOM 1477 CA VAL A 105 1.403 -0.204 -6.034 1.00 0.00 C ATOM 1478 C VAL A 105 0.892 -1.215 -7.052 1.00 0.00 C ATOM 1479 O VAL A 105 1.169 -1.108 -8.247 1.00 0.00 O ATOM 1480 CB VAL A 105 0.197 0.418 -5.305 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.650 1.162 -4.059 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.570 1.342 -6.239 1.00 0.00 C ATOM 0 H VAL A 105 1.899 1.131 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 105 2.041 -0.717 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.471 -0.385 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.216 1.594 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.151 0.469 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.340 1.957 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.419 1.773 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.088 2.141 -6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.929 0.775 -7.098 1.00 0.00 H new ATOM 1492 N ALA A 106 0.139 -2.195 -6.564 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.427 -3.229 -7.417 1.00 0.00 C ATOM 1494 C ALA A 106 -1.913 -3.413 -7.130 1.00 0.00 C ATOM 1495 O ALA A 106 -2.324 -3.486 -5.972 1.00 0.00 O ATOM 1496 CB ALA A 106 0.318 -4.542 -7.222 1.00 0.00 C ATOM 0 H ALA A 106 -0.093 -2.293 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.316 -2.915 -8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.117 -5.306 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.369 -4.406 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.236 -4.856 -6.181 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.711 -3.482 -8.189 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.152 -3.654 -8.048 1.00 0.00 C ATOM 1504 C ARG A 107 -4.613 -4.928 -8.749 1.00 0.00 C ATOM 1505 O ARG A 107 -4.178 -5.228 -9.860 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.889 -2.436 -8.617 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.396 -2.617 -8.722 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.013 -2.962 -7.376 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.652 -1.806 -6.754 1.00 0.00 N ATOM 1510 CZ ARG A 107 -8.836 -1.322 -7.127 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -9.509 -1.891 -8.120 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -9.346 -0.267 -6.506 1.00 0.00 N ATOM 0 H ARG A 107 -2.385 -3.422 -9.154 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.387 -3.742 -6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.680 -1.571 -7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.490 -2.213 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.847 -1.702 -9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.619 -3.407 -9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.749 -3.756 -7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.241 -3.350 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.163 -1.341 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.120 -2.702 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.415 -1.517 -8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.832 0.174 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.252 0.104 -6.791 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.495 -5.672 -8.090 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.013 -6.914 -8.650 1.00 0.00 C ATOM 1528 C ARG A 108 -7.035 -6.638 -9.748 1.00 0.00 C ATOM 1529 O ARG A 108 -7.517 -5.515 -9.895 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.642 -7.773 -7.551 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.349 -9.257 -7.696 1.00 0.00 C ATOM 1532 CD ARG A 108 -4.884 -9.567 -7.429 1.00 0.00 C ATOM 1533 NE ARG A 108 -4.708 -10.353 -6.209 1.00 0.00 N ATOM 1534 CZ ARG A 108 -3.630 -10.291 -5.429 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -2.619 -9.486 -5.735 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -3.561 -11.040 -4.336 1.00 0.00 N ATOM 0 H ARG A 108 -5.865 -5.437 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.177 -7.457 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.278 -7.432 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.721 -7.622 -7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.973 -9.821 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.613 -9.584 -8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.468 -10.113 -8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.325 -8.635 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.458 -10.989 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.663 -8.908 -6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.798 -9.446 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.333 -11.662 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.736 -10.994 -3.737 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.357 -7.672 -10.517 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.318 -7.550 -11.605 1.00 0.00 C ATOM 1552 C ILE A 109 -9.321 -8.702 -11.576 1.00 0.00 C ATOM 1553 O ILE A 109 -9.040 -9.767 -11.030 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.608 -7.527 -12.975 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.573 -6.403 -13.016 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.620 -7.368 -14.099 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -5.147 -6.871 -12.841 1.00 0.00 C ATOM 0 H ILE A 109 -6.965 -8.607 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.848 -6.608 -11.465 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.092 -8.477 -13.115 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -6.658 -5.880 -13.968 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.806 -5.681 -12.234 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.100 -7.354 -15.057 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.321 -8.203 -14.078 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.165 -6.433 -13.968 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.475 -6.014 -12.882 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -5.043 -7.368 -11.876 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.893 -7.570 -13.638 1.00 0.00 H new ATOM 1569 N SER A 110 -10.491 -8.478 -12.168 1.00 0.00 N ATOM 1570 CA SER A 110 -11.532 -9.497 -12.207 1.00 0.00 C ATOM 1571 C SER A 110 -12.657 -9.093 -13.153 1.00 0.00 C ATOM 1572 O SER A 110 -12.565 -8.081 -13.848 1.00 0.00 O ATOM 1573 CB SER A 110 -12.092 -9.737 -10.804 1.00 0.00 C ATOM 1574 OG SER A 110 -12.864 -8.633 -10.366 1.00 0.00 O ATOM 0 H SER A 110 -10.740 -7.601 -12.626 1.00 0.00 H new ATOM 0 HA SER A 110 -11.086 -10.420 -12.577 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.707 -10.637 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.272 -9.911 -10.107 1.00 0.00 H new ATOM 0 HG SER A 110 -13.212 -8.813 -9.468 1.00 0.00 H new TER 1580 SER A 110