USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 945 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 19 MET CE :methyl -118:sc= -3.45! (180deg=-3.93!) USER MOD Set 1.2: B 68 HIS : no HE2:sc= -2.36 K(o=-5.8,f=-10!) USER MOD Set 2.1: B 7 THR OG1 : rot 118:sc= 1.14 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.753 USER MOD Set 3.1: A 35 ASN : amide:sc= 0.00388 X(o=0.59,f=0.58) USER MOD Set 3.2: A 42 THR OG1 : rot 103:sc= 0.587 USER MOD Set 4.1: A 27 LYS NZ :NH3+ -150:sc= 1.22 (180deg=-0.2) USER MOD Set 4.2: A 31 HIS : no HE2:sc= 0.482 K(o=1.7,f=-12!) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -2.55 F(o=-3.7,f=-2.6) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= -0.0497 (180deg=-0.326) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 153:sc= -0.136 (180deg=-0.856) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0932 F(o=-1.9!,f=-0.093) USER MOD Single : A 37 ASN : amide:sc= -3.75! C(o=-3.7!,f=-7.1!) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= -3.2! (180deg=-5.64!) USER MOD Single : B 1 MET CE :methyl -166:sc= 0 (180deg=-0.382) USER MOD Single : B 1 MET N :NH3+ -109:sc= 0.0028 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -1.55! C(o=-1.6!,f=-4.3!) USER MOD Single : B 6 LYS NZ :NH3+ -165:sc= -4.63! (180deg=-5.19!) USER MOD Single : B 11 LYS NZ :NH3+ -110:sc= -4.48! (180deg=-6.57!) USER MOD Single : B 12 THR OG1 : rot 59:sc= 0.647 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot -42:sc= 1.49 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -0.827 K(o=-0.83,f=-4.2!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 168:sc= -0.0335 (180deg=-0.213) USER MOD Single : B 31 GLN :FLIP amide:sc= -3.55! C(o=-4.5!,f=-3.5!) USER MOD Single : B 33 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.474) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.432 F(o=-4!,f=-0.43) USER MOD Single : B 41 GLN : amide:sc= -1.6! C(o=-1.6!,f=-1.3!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -4.04! C(o=-4!,f=-12!) USER MOD Single : B 55 THR OG1 : rot 180:sc= -0.38 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -140:sc= 0.596 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 GLN : amide:sc= 0.0336 X(o=0.034,f=-0.11) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot -100:sc= -1.06 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N ASP A 8 16.200 2.592 -2.394 1.00 0.00 N ATOM 28 CA ASP A 8 15.120 1.928 -3.116 1.00 0.00 C ATOM 29 C ASP A 8 13.753 2.359 -2.594 1.00 0.00 C ATOM 30 O ASP A 8 12.806 1.571 -2.588 1.00 0.00 O ATOM 31 CB ASP A 8 15.265 0.409 -3.002 1.00 0.00 C ATOM 32 CG ASP A 8 15.242 -0.077 -1.564 1.00 0.00 C ATOM 33 OD1 ASP A 8 15.133 0.769 -0.650 1.00 0.00 O ATOM 34 OD2 ASP A 8 15.336 -1.304 -1.352 1.00 0.00 O ATOM 0 HA ASP A 8 15.190 2.221 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.458 -0.071 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 8 16.200 0.102 -3.470 1.00 0.00 H new ATOM 39 N HIS A 9 13.648 3.615 -2.173 1.00 0.00 N ATOM 40 CA HIS A 9 12.385 4.139 -1.672 1.00 0.00 C ATOM 41 C HIS A 9 11.431 4.392 -2.831 1.00 0.00 C ATOM 42 O HIS A 9 10.214 4.430 -2.651 1.00 0.00 O ATOM 43 CB HIS A 9 12.580 5.406 -0.825 1.00 0.00 C ATOM 44 CG HIS A 9 12.805 6.678 -1.594 1.00 0.00 C ATOM 45 ND1 HIS A 9 13.208 6.909 -2.869 1.00 0.00 N flip ATOM 46 CD2 HIS A 9 12.605 7.921 -1.032 1.00 0.00 C flip ATOM 47 CE1 HIS A 9 13.238 8.270 -3.045 1.00 0.00 C flip ATOM 48 NE2 HIS A 9 12.868 8.856 -1.922 1.00 0.00 N flip ATOM 0 H HIS A 9 14.418 4.284 -2.169 1.00 0.00 H new ATOM 0 HA HIS A 9 11.948 3.389 -1.013 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.702 5.536 -0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.430 5.249 -0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.282 8.101 -0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.519 8.779 -3.955 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.798 9.862 -1.769 1.00 0.00 H new ATOM 57 N GLU A 10 12.001 4.578 -4.022 1.00 0.00 N ATOM 58 CA GLU A 10 11.217 4.842 -5.223 1.00 0.00 C ATOM 59 C GLU A 10 10.105 3.815 -5.366 1.00 0.00 C ATOM 60 O GLU A 10 9.002 4.146 -5.796 1.00 0.00 O ATOM 61 CB GLU A 10 12.114 4.816 -6.461 1.00 0.00 C ATOM 62 CG GLU A 10 12.833 3.492 -6.665 1.00 0.00 C ATOM 63 CD GLU A 10 13.708 3.488 -7.903 1.00 0.00 C ATOM 64 OE1 GLU A 10 13.167 3.685 -9.012 1.00 0.00 O ATOM 65 OE2 GLU A 10 14.933 3.290 -7.764 1.00 0.00 O ATOM 0 H GLU A 10 13.009 4.550 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 10 10.771 5.833 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.509 5.031 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.854 5.613 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.447 3.278 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.097 2.691 -6.742 1.00 0.00 H new ATOM 72 N SER A 11 10.391 2.576 -4.978 1.00 0.00 N ATOM 73 CA SER A 11 9.391 1.522 -5.039 1.00 0.00 C ATOM 74 C SER A 11 8.206 1.914 -4.167 1.00 0.00 C ATOM 75 O SER A 11 7.055 1.898 -4.609 1.00 0.00 O ATOM 76 CB SER A 11 9.987 0.193 -4.570 1.00 0.00 C ATOM 77 OG SER A 11 11.035 -0.228 -5.425 1.00 0.00 O ATOM 0 H SER A 11 11.300 2.281 -4.621 1.00 0.00 H new ATOM 0 HA SER A 11 9.057 1.395 -6.069 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.364 0.299 -3.553 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.208 -0.569 -4.543 1.00 0.00 H new ATOM 0 HG SER A 11 11.399 -1.078 -5.102 1.00 0.00 H new ATOM 83 N LYS A 12 8.508 2.310 -2.932 1.00 0.00 N ATOM 84 CA LYS A 12 7.484 2.754 -1.999 1.00 0.00 C ATOM 85 C LYS A 12 6.701 3.898 -2.626 1.00 0.00 C ATOM 86 O LYS A 12 5.472 3.952 -2.554 1.00 0.00 O ATOM 87 CB LYS A 12 8.128 3.213 -0.689 1.00 0.00 C ATOM 88 CG LYS A 12 9.034 2.171 -0.054 1.00 0.00 C ATOM 89 CD LYS A 12 8.269 0.909 0.308 1.00 0.00 C ATOM 90 CE LYS A 12 9.187 -0.155 0.885 1.00 0.00 C ATOM 91 NZ LYS A 12 10.245 -0.559 -0.082 1.00 0.00 N ATOM 0 H LYS A 12 9.456 2.331 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 12 6.808 1.927 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.706 4.118 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.342 3.478 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.842 1.922 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.495 2.587 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.490 1.150 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.770 0.518 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.652 0.222 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.599 -1.029 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.674 -1.455 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.824 -0.684 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.977 0.179 -0.124 1.00 0.00 H new ATOM 105 N LEU A 13 7.438 4.800 -3.268 1.00 0.00 N ATOM 106 CA LEU A 13 6.844 5.940 -3.944 1.00 0.00 C ATOM 107 C LEU A 13 5.904 5.457 -5.038 1.00 0.00 C ATOM 108 O LEU A 13 4.857 6.055 -5.277 1.00 0.00 O ATOM 109 CB LEU A 13 7.937 6.830 -4.538 1.00 0.00 C ATOM 110 CG LEU A 13 7.441 8.098 -5.235 1.00 0.00 C ATOM 111 CD1 LEU A 13 6.662 8.974 -4.263 1.00 0.00 C ATOM 112 CD2 LEU A 13 8.613 8.866 -5.827 1.00 0.00 C ATOM 0 H LEU A 13 8.455 4.759 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 13 6.275 6.526 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.621 7.118 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.511 6.243 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 13 6.771 7.809 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.318 9.871 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.803 8.421 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.307 9.258 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.246 9.766 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.305 9.144 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.129 8.239 -6.554 1.00 0.00 H new ATOM 124 N SER A 14 6.283 4.359 -5.687 1.00 0.00 N ATOM 125 CA SER A 14 5.464 3.780 -6.744 1.00 0.00 C ATOM 126 C SER A 14 4.094 3.423 -6.187 1.00 0.00 C ATOM 127 O SER A 14 3.063 3.791 -6.761 1.00 0.00 O ATOM 128 CB SER A 14 6.137 2.538 -7.332 1.00 0.00 C ATOM 129 OG SER A 14 5.352 1.972 -8.366 1.00 0.00 O ATOM 0 H SER A 14 7.150 3.855 -5.499 1.00 0.00 H new ATOM 0 HA SER A 14 5.349 4.513 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.120 2.804 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.295 1.800 -6.546 1.00 0.00 H new ATOM 0 HG SER A 14 5.805 1.181 -8.725 1.00 0.00 H new ATOM 135 N ILE A 15 4.083 2.731 -5.045 1.00 0.00 N ATOM 136 CA ILE A 15 2.823 2.369 -4.410 1.00 0.00 C ATOM 137 C ILE A 15 2.018 3.629 -4.129 1.00 0.00 C ATOM 138 O ILE A 15 0.807 3.649 -4.311 1.00 0.00 O ATOM 139 CB ILE A 15 3.001 1.593 -3.081 1.00 0.00 C ATOM 140 CG1 ILE A 15 3.547 0.183 -3.316 1.00 0.00 C ATOM 141 CG2 ILE A 15 1.670 1.507 -2.348 1.00 0.00 C ATOM 142 CD1 ILE A 15 4.965 0.143 -3.838 1.00 0.00 C ATOM 0 H ILE A 15 4.919 2.417 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 15 2.306 1.708 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 15 3.724 2.139 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.502 -0.372 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.897 -0.332 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.803 0.960 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.308 2.512 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.944 0.987 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.273 -0.893 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.016 0.667 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.630 0.626 -3.122 1.00 0.00 H new ATOM 154 N LEU A 16 2.707 4.678 -3.681 1.00 0.00 N ATOM 155 CA LEU A 16 2.055 5.948 -3.373 1.00 0.00 C ATOM 156 C LEU A 16 1.375 6.531 -4.607 1.00 0.00 C ATOM 157 O LEU A 16 0.234 6.987 -4.539 1.00 0.00 O ATOM 158 CB LEU A 16 3.069 6.957 -2.827 1.00 0.00 C ATOM 159 CG LEU A 16 3.748 6.564 -1.514 1.00 0.00 C ATOM 160 CD1 LEU A 16 4.668 7.678 -1.041 1.00 0.00 C ATOM 161 CD2 LEU A 16 2.712 6.242 -0.450 1.00 0.00 C ATOM 0 H LEU A 16 3.715 4.673 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 16 1.297 5.752 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.840 7.115 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.563 7.912 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 16 4.346 5.670 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.144 7.384 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.433 7.863 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.087 8.587 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.216 5.965 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.086 7.117 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.090 5.413 -0.787 1.00 0.00 H new ATOM 173 N MET A 17 2.085 6.518 -5.733 1.00 0.00 N ATOM 174 CA MET A 17 1.551 7.049 -6.981 1.00 0.00 C ATOM 175 C MET A 17 0.234 6.367 -7.331 1.00 0.00 C ATOM 176 O MET A 17 -0.771 7.029 -7.592 1.00 0.00 O ATOM 177 CB MET A 17 2.560 6.858 -8.114 1.00 0.00 C ATOM 178 CG MET A 17 3.904 7.520 -7.852 1.00 0.00 C ATOM 179 SD MET A 17 5.085 7.259 -9.190 1.00 0.00 S ATOM 180 CE MET A 17 4.233 8.040 -10.558 1.00 0.00 C ATOM 0 H MET A 17 3.032 6.145 -5.805 1.00 0.00 H new ATOM 0 HA MET A 17 1.367 8.115 -6.851 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.715 5.791 -8.275 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.140 7.261 -9.035 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.755 8.590 -7.709 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.321 7.129 -6.924 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.962 8.391 -11.288 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.565 7.319 -11.030 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.652 8.886 -10.190 1.00 0.00 H new ATOM 190 N ASP A 18 0.246 5.039 -7.326 1.00 0.00 N ATOM 191 CA ASP A 18 -0.937 4.262 -7.630 1.00 0.00 C ATOM 192 C ASP A 18 -1.955 4.348 -6.493 1.00 0.00 C ATOM 193 O ASP A 18 -3.163 4.263 -6.717 1.00 0.00 O ATOM 194 CB ASP A 18 -0.534 2.812 -7.871 1.00 0.00 C ATOM 195 CG ASP A 18 0.373 2.655 -9.076 1.00 0.00 C ATOM 196 OD1 ASP A 18 -0.054 3.015 -10.192 1.00 0.00 O ATOM 197 OD2 ASP A 18 1.513 2.173 -8.902 1.00 0.00 O ATOM 0 H ASP A 18 1.072 4.480 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.406 4.666 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.027 2.427 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.430 2.208 -8.013 1.00 0.00 H new ATOM 202 N MET A 19 -1.451 4.510 -5.273 1.00 0.00 N ATOM 203 CA MET A 19 -2.299 4.602 -4.088 1.00 0.00 C ATOM 204 C MET A 19 -3.240 5.796 -4.184 1.00 0.00 C ATOM 205 O MET A 19 -4.433 5.683 -3.900 1.00 0.00 O ATOM 206 CB MET A 19 -1.437 4.721 -2.825 1.00 0.00 C ATOM 207 CG MET A 19 -2.235 4.697 -1.531 1.00 0.00 C ATOM 208 SD MET A 19 -2.992 3.096 -1.209 1.00 0.00 S ATOM 209 CE MET A 19 -1.600 2.185 -0.548 1.00 0.00 C ATOM 0 H MET A 19 -0.452 4.581 -5.078 1.00 0.00 H new ATOM 0 HA MET A 19 -2.897 3.693 -4.030 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.716 3.904 -2.811 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.867 5.649 -2.872 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.579 4.958 -0.700 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.013 5.459 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.378 1.339 -1.198 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.730 2.839 -0.494 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.844 1.822 0.450 1.00 0.00 H new ATOM 219 N PHE A 20 -2.697 6.942 -4.583 1.00 0.00 N ATOM 220 CA PHE A 20 -3.493 8.155 -4.710 1.00 0.00 C ATOM 221 C PHE A 20 -3.524 8.630 -6.163 1.00 0.00 C ATOM 222 O PHE A 20 -2.533 9.154 -6.674 1.00 0.00 O ATOM 223 CB PHE A 20 -2.926 9.260 -3.813 1.00 0.00 C ATOM 224 CG PHE A 20 -2.546 8.778 -2.441 1.00 0.00 C ATOM 225 CD1 PHE A 20 -1.269 8.297 -2.190 1.00 0.00 C ATOM 226 CD2 PHE A 20 -3.468 8.792 -1.407 1.00 0.00 C ATOM 227 CE1 PHE A 20 -0.922 7.842 -0.933 1.00 0.00 C ATOM 228 CE2 PHE A 20 -3.125 8.340 -0.148 1.00 0.00 C ATOM 229 CZ PHE A 20 -1.850 7.864 0.089 1.00 0.00 C ATOM 0 H PHE A 20 -1.712 7.055 -4.823 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.512 7.929 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.049 9.694 -4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.664 10.056 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.539 8.278 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.467 9.161 -1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.075 7.469 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.852 8.359 0.650 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.579 7.509 1.073 1.00 0.00 H new ATOM 239 N PRO A 21 -4.667 8.450 -6.851 1.00 0.00 N ATOM 240 CA PRO A 21 -4.822 8.859 -8.248 1.00 0.00 C ATOM 241 C PRO A 21 -5.106 10.351 -8.394 1.00 0.00 C ATOM 242 O PRO A 21 -6.047 10.747 -9.081 1.00 0.00 O ATOM 243 CB PRO A 21 -6.021 8.037 -8.711 1.00 0.00 C ATOM 244 CG PRO A 21 -6.856 7.877 -7.487 1.00 0.00 C ATOM 245 CD PRO A 21 -5.898 7.827 -6.323 1.00 0.00 C ATOM 0 HA PRO A 21 -3.915 8.692 -8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.570 8.547 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.711 7.071 -9.109 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.553 8.708 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.452 6.966 -7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.285 8.373 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.719 6.803 -5.996 1.00 0.00 H new ATOM 253 N ALA A 22 -4.290 11.176 -7.742 1.00 0.00 N ATOM 254 CA ALA A 22 -4.466 12.623 -7.804 1.00 0.00 C ATOM 255 C ALA A 22 -3.247 13.359 -7.256 1.00 0.00 C ATOM 256 O ALA A 22 -2.778 14.328 -7.853 1.00 0.00 O ATOM 257 CB ALA A 22 -5.713 13.033 -7.036 1.00 0.00 C ATOM 0 H ALA A 22 -3.505 10.869 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.581 12.900 -8.852 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.834 14.115 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.586 12.548 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.614 12.730 -5.994 1.00 0.00 H new ATOM 263 N ILE A 23 -2.740 12.898 -6.116 1.00 0.00 N ATOM 264 CA ILE A 23 -1.580 13.521 -5.490 1.00 0.00 C ATOM 265 C ILE A 23 -0.353 13.424 -6.394 1.00 0.00 C ATOM 266 O ILE A 23 -0.046 12.360 -6.930 1.00 0.00 O ATOM 267 CB ILE A 23 -1.263 12.873 -4.128 1.00 0.00 C ATOM 268 CG1 ILE A 23 -2.484 12.960 -3.207 1.00 0.00 C ATOM 269 CG2 ILE A 23 -0.057 13.548 -3.488 1.00 0.00 C ATOM 270 CD1 ILE A 23 -2.284 12.295 -1.862 1.00 0.00 C ATOM 0 H ILE A 23 -3.114 12.096 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.826 14.571 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.022 11.822 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.734 14.009 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.337 12.500 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.155 13.080 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.809 13.442 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.270 14.606 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.191 12.398 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.064 11.237 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.452 12.770 -1.341 1.00 0.00 H new ATOM 282 N SER A 24 0.340 14.547 -6.558 1.00 0.00 N ATOM 283 CA SER A 24 1.532 14.597 -7.397 1.00 0.00 C ATOM 284 C SER A 24 2.632 13.695 -6.846 1.00 0.00 C ATOM 285 O SER A 24 2.840 13.623 -5.635 1.00 0.00 O ATOM 286 CB SER A 24 2.044 16.034 -7.505 1.00 0.00 C ATOM 287 OG SER A 24 3.193 16.107 -8.331 1.00 0.00 O ATOM 0 H SER A 24 0.096 15.435 -6.120 1.00 0.00 H new ATOM 0 HA SER A 24 1.259 14.237 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.260 16.673 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.282 16.414 -6.511 1.00 0.00 H new ATOM 0 HG SER A 24 3.499 17.037 -8.385 1.00 0.00 H new ATOM 293 N LYS A 25 3.330 13.009 -7.746 1.00 0.00 N ATOM 294 CA LYS A 25 4.412 12.109 -7.359 1.00 0.00 C ATOM 295 C LYS A 25 5.468 12.840 -6.537 1.00 0.00 C ATOM 296 O LYS A 25 5.998 12.297 -5.569 1.00 0.00 O ATOM 297 CB LYS A 25 5.054 11.485 -8.600 1.00 0.00 C ATOM 298 CG LYS A 25 5.567 12.509 -9.601 1.00 0.00 C ATOM 299 CD LYS A 25 6.219 11.845 -10.804 1.00 0.00 C ATOM 300 CE LYS A 25 7.474 11.077 -10.415 1.00 0.00 C ATOM 301 NZ LYS A 25 8.120 10.438 -11.593 1.00 0.00 N ATOM 0 H LYS A 25 3.165 13.059 -8.751 1.00 0.00 H new ATOM 0 HA LYS A 25 3.986 11.318 -6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.881 10.847 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.324 10.842 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.741 13.136 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.288 13.165 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.508 11.165 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.472 12.603 -11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.181 11.755 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.219 10.312 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.971 9.925 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.455 9.772 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.387 11.170 -12.282 1.00 0.00 H new ATOM 315 N SER A 26 5.773 14.074 -6.930 1.00 0.00 N ATOM 316 CA SER A 26 6.768 14.878 -6.227 1.00 0.00 C ATOM 317 C SER A 26 6.381 15.070 -4.764 1.00 0.00 C ATOM 318 O SER A 26 7.211 14.912 -3.869 1.00 0.00 O ATOM 319 CB SER A 26 6.932 16.238 -6.907 1.00 0.00 C ATOM 320 OG SER A 26 7.878 17.041 -6.223 1.00 0.00 O ATOM 0 H SER A 26 5.345 14.539 -7.731 1.00 0.00 H new ATOM 0 HA SER A 26 7.718 14.345 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.251 16.095 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.971 16.751 -6.938 1.00 0.00 H new ATOM 0 HG SER A 26 7.965 17.904 -6.679 1.00 0.00 H new ATOM 326 N LYS A 27 5.117 15.406 -4.530 1.00 0.00 N ATOM 327 CA LYS A 27 4.618 15.614 -3.174 1.00 0.00 C ATOM 328 C LYS A 27 4.795 14.351 -2.336 1.00 0.00 C ATOM 329 O LYS A 27 5.314 14.399 -1.218 1.00 0.00 O ATOM 330 CB LYS A 27 3.143 16.025 -3.217 1.00 0.00 C ATOM 331 CG LYS A 27 2.515 16.225 -1.847 1.00 0.00 C ATOM 332 CD LYS A 27 1.100 16.772 -1.965 1.00 0.00 C ATOM 333 CE LYS A 27 0.428 16.893 -0.606 1.00 0.00 C ATOM 334 NZ LYS A 27 0.251 15.568 0.048 1.00 0.00 N ATOM 0 H LYS A 27 4.419 15.540 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 27 5.194 16.414 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.051 16.950 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.580 15.263 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.497 15.277 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.126 16.912 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.127 17.750 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.509 16.118 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.026 17.538 0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.544 17.372 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.593 15.590 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.135 14.834 -0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.088 15.352 0.627 1.00 0.00 H new ATOM 348 N LEU A 28 4.373 13.221 -2.894 1.00 0.00 N ATOM 349 CA LEU A 28 4.492 11.937 -2.211 1.00 0.00 C ATOM 350 C LEU A 28 5.945 11.657 -1.837 1.00 0.00 C ATOM 351 O LEU A 28 6.231 11.178 -0.740 1.00 0.00 O ATOM 352 CB LEU A 28 3.947 10.816 -3.100 1.00 0.00 C ATOM 353 CG LEU A 28 2.443 10.883 -3.383 1.00 0.00 C ATOM 354 CD1 LEU A 28 2.044 9.842 -4.417 1.00 0.00 C ATOM 355 CD2 LEU A 28 1.651 10.685 -2.099 1.00 0.00 C ATOM 0 H LEU A 28 3.945 13.168 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 28 3.905 11.978 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.481 10.835 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.170 9.859 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 28 2.214 11.870 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.972 9.907 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.585 10.025 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.288 8.847 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.584 10.736 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.888 9.711 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.912 11.467 -1.386 1.00 0.00 H new ATOM 367 N GLN A 29 6.859 11.968 -2.754 1.00 0.00 N ATOM 368 CA GLN A 29 8.284 11.759 -2.518 1.00 0.00 C ATOM 369 C GLN A 29 8.758 12.589 -1.330 1.00 0.00 C ATOM 370 O GLN A 29 9.519 12.110 -0.490 1.00 0.00 O ATOM 371 CB GLN A 29 9.092 12.124 -3.765 1.00 0.00 C ATOM 372 CG GLN A 29 10.586 11.883 -3.613 1.00 0.00 C ATOM 373 CD GLN A 29 11.378 12.228 -4.863 1.00 0.00 C ATOM 374 OE1 GLN A 29 10.699 12.729 -5.890 1.00 0.00 O flip ATOM 375 NE2 GLN A 29 12.596 12.047 -4.905 1.00 0.00 N flip ATOM 0 H GLN A 29 6.637 12.365 -3.667 1.00 0.00 H new ATOM 0 HA GLN A 29 8.441 10.704 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.723 11.543 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.924 13.174 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.960 12.476 -2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.755 10.836 -3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.082 11.660 -4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.118 12.284 -5.749 1.00 0.00 H new ATOM 384 N VAL A 30 8.299 13.836 -1.268 1.00 0.00 N ATOM 385 CA VAL A 30 8.670 14.733 -0.181 1.00 0.00 C ATOM 386 C VAL A 30 8.281 14.140 1.167 1.00 0.00 C ATOM 387 O VAL A 30 9.082 14.117 2.101 1.00 0.00 O ATOM 388 CB VAL A 30 8.001 16.113 -0.335 1.00 0.00 C ATOM 389 CG1 VAL A 30 8.374 17.025 0.823 1.00 0.00 C ATOM 390 CG2 VAL A 30 8.387 16.747 -1.662 1.00 0.00 C ATOM 0 H VAL A 30 7.670 14.247 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 30 9.752 14.858 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 30 6.920 15.972 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.891 17.993 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.044 16.577 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.455 17.159 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.906 17.721 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.469 16.872 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.063 16.104 -2.480 1.00 0.00 H new ATOM 400 N HIS A 31 7.045 13.658 1.258 1.00 0.00 N ATOM 401 CA HIS A 31 6.550 13.058 2.491 1.00 0.00 C ATOM 402 C HIS A 31 7.380 11.837 2.870 1.00 0.00 C ATOM 403 O HIS A 31 7.677 11.614 4.044 1.00 0.00 O ATOM 404 CB HIS A 31 5.083 12.656 2.336 1.00 0.00 C ATOM 405 CG HIS A 31 4.170 13.808 2.063 1.00 0.00 C ATOM 406 ND1 HIS A 31 4.001 14.856 2.940 1.00 0.00 N ATOM 407 CD2 HIS A 31 3.375 14.075 1.000 1.00 0.00 C ATOM 408 CE1 HIS A 31 3.139 15.718 2.432 1.00 0.00 C ATOM 409 NE2 HIS A 31 2.744 15.268 1.255 1.00 0.00 N ATOM 0 H HIS A 31 6.370 13.671 0.494 1.00 0.00 H new ATOM 0 HA HIS A 31 6.636 13.800 3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.997 11.935 1.523 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.756 12.152 3.245 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.469 14.952 3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.259 13.464 0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.813 16.635 2.900 1.00 0.00 H new ATOM 418 N LEU A 32 7.745 11.047 1.867 1.00 0.00 N ATOM 419 CA LEU A 32 8.533 9.841 2.087 1.00 0.00 C ATOM 420 C LEU A 32 9.904 10.178 2.673 1.00 0.00 C ATOM 421 O LEU A 32 10.378 9.506 3.590 1.00 0.00 O ATOM 422 CB LEU A 32 8.696 9.073 0.772 1.00 0.00 C ATOM 423 CG LEU A 32 9.307 7.677 0.905 1.00 0.00 C ATOM 424 CD1 LEU A 32 8.434 6.796 1.784 1.00 0.00 C ATOM 425 CD2 LEU A 32 9.491 7.039 -0.462 1.00 0.00 C ATOM 0 H LEU A 32 7.507 11.221 0.891 1.00 0.00 H new ATOM 0 HA LEU A 32 8.003 9.215 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.718 8.981 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.320 9.663 0.100 1.00 0.00 H new ATOM 0 HG LEU A 32 10.286 7.777 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.883 5.807 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.349 7.241 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.442 6.708 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.927 6.047 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.524 6.954 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.155 7.658 -1.066 1.00 0.00 H new ATOM 437 N LEU A 33 10.536 11.218 2.138 1.00 0.00 N ATOM 438 CA LEU A 33 11.854 11.641 2.607 1.00 0.00 C ATOM 439 C LEU A 33 11.803 12.142 4.046 1.00 0.00 C ATOM 440 O LEU A 33 12.635 11.768 4.873 1.00 0.00 O ATOM 441 CB LEU A 33 12.410 12.740 1.699 1.00 0.00 C ATOM 442 CG LEU A 33 12.744 12.301 0.274 1.00 0.00 C ATOM 443 CD1 LEU A 33 13.171 13.495 -0.564 1.00 0.00 C ATOM 444 CD2 LEU A 33 13.836 11.242 0.288 1.00 0.00 C ATOM 0 H LEU A 33 10.158 11.785 1.379 1.00 0.00 H new ATOM 0 HA LEU A 33 12.510 10.772 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.684 13.551 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.312 13.146 2.158 1.00 0.00 H new ATOM 0 HG LEU A 33 11.849 11.869 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.405 13.164 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.361 14.224 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.054 13.955 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.063 10.940 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.733 11.651 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.496 10.376 0.856 1.00 0.00 H new ATOM 456 N GLU A 34 10.831 13.000 4.335 1.00 0.00 N ATOM 457 CA GLU A 34 10.679 13.565 5.671 1.00 0.00 C ATOM 458 C GLU A 34 10.436 12.475 6.711 1.00 0.00 C ATOM 459 O GLU A 34 11.116 12.424 7.738 1.00 0.00 O ATOM 460 CB GLU A 34 9.527 14.572 5.682 1.00 0.00 C ATOM 461 CG GLU A 34 9.721 15.724 4.704 1.00 0.00 C ATOM 462 CD GLU A 34 10.868 16.640 5.091 1.00 0.00 C ATOM 463 OE1 GLU A 34 11.492 16.402 6.147 1.00 0.00 O ATOM 464 OE2 GLU A 34 11.139 17.599 4.338 1.00 0.00 O ATOM 0 H GLU A 34 10.135 13.320 3.661 1.00 0.00 H new ATOM 0 HA GLU A 34 11.607 14.074 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.599 14.054 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.416 14.975 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.904 15.321 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.801 16.306 4.648 1.00 0.00 H new ATOM 471 N ASN A 35 9.469 11.603 6.442 1.00 0.00 N ATOM 472 CA ASN A 35 9.146 10.515 7.360 1.00 0.00 C ATOM 473 C ASN A 35 10.048 9.306 7.122 1.00 0.00 C ATOM 474 O ASN A 35 9.628 8.167 7.316 1.00 0.00 O ATOM 475 CB ASN A 35 7.678 10.113 7.206 1.00 0.00 C ATOM 476 CG ASN A 35 6.731 11.256 7.514 1.00 0.00 C ATOM 477 OD1 ASN A 35 6.728 11.794 8.621 1.00 0.00 O ATOM 478 ND2 ASN A 35 5.922 11.636 6.531 1.00 0.00 N ATOM 0 H ASN A 35 8.897 11.628 5.598 1.00 0.00 H new ATOM 0 HA ASN A 35 9.316 10.870 8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.504 9.765 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.462 9.276 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.265 12.402 6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.958 11.162 5.629 1.00 0.00 H new ATOM 485 N ASN A 36 11.287 9.572 6.708 1.00 0.00 N ATOM 486 CA ASN A 36 12.274 8.525 6.438 1.00 0.00 C ATOM 487 C ASN A 36 11.847 7.649 5.263 1.00 0.00 C ATOM 488 O ASN A 36 12.422 7.730 4.177 1.00 0.00 O ATOM 489 CB ASN A 36 12.493 7.659 7.683 1.00 0.00 C ATOM 490 CG ASN A 36 13.059 8.439 8.859 1.00 0.00 C ATOM 491 OD1 ASN A 36 13.299 9.733 8.666 1.00 0.00 O flip ATOM 492 ND2 ASN A 36 13.283 7.880 9.931 1.00 0.00 N flip ATOM 0 H ASN A 36 11.635 10.518 6.550 1.00 0.00 H new ATOM 0 HA ASN A 36 13.212 9.015 6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.545 7.208 7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.171 6.842 7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.085 6.885 10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.667 8.411 10.713 1.00 0.00 H new ATOM 499 N ASN A 37 10.832 6.819 5.488 1.00 0.00 N ATOM 500 CA ASN A 37 10.315 5.926 4.455 1.00 0.00 C ATOM 501 C ASN A 37 9.140 5.111 4.993 1.00 0.00 C ATOM 502 O ASN A 37 8.940 3.958 4.611 1.00 0.00 O ATOM 503 CB ASN A 37 11.421 4.987 3.960 1.00 0.00 C ATOM 504 CG ASN A 37 10.992 4.151 2.769 1.00 0.00 C ATOM 505 OD1 ASN A 37 10.652 4.683 1.713 1.00 0.00 O ATOM 506 ND2 ASN A 37 11.001 2.834 2.936 1.00 0.00 N ATOM 0 H ASN A 37 10.348 6.746 6.383 1.00 0.00 H new ATOM 0 HA ASN A 37 9.967 6.533 3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.297 5.576 3.688 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.721 4.326 4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.719 2.221 2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.290 2.435 3.829 1.00 0.00 H new ATOM 513 N ASP A 38 8.362 5.720 5.886 1.00 0.00 N ATOM 514 CA ASP A 38 7.207 5.049 6.477 1.00 0.00 C ATOM 515 C ASP A 38 5.976 5.202 5.587 1.00 0.00 C ATOM 516 O ASP A 38 5.636 6.307 5.166 1.00 0.00 O ATOM 517 CB ASP A 38 6.921 5.613 7.872 1.00 0.00 C ATOM 518 CG ASP A 38 5.814 4.865 8.591 1.00 0.00 C ATOM 519 OD1 ASP A 38 5.276 3.895 8.015 1.00 0.00 O ATOM 520 OD2 ASP A 38 5.487 5.246 9.733 1.00 0.00 O ATOM 0 H ASP A 38 8.510 6.674 6.215 1.00 0.00 H new ATOM 0 HA ASP A 38 7.438 3.987 6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.831 5.570 8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.646 6.664 7.785 1.00 0.00 H new ATOM 525 N LEU A 39 5.316 4.083 5.301 1.00 0.00 N ATOM 526 CA LEU A 39 4.126 4.091 4.458 1.00 0.00 C ATOM 527 C LEU A 39 2.853 4.308 5.274 1.00 0.00 C ATOM 528 O LEU A 39 1.987 5.089 4.888 1.00 0.00 O ATOM 529 CB LEU A 39 4.025 2.779 3.675 1.00 0.00 C ATOM 530 CG LEU A 39 5.171 2.517 2.696 1.00 0.00 C ATOM 531 CD1 LEU A 39 4.996 1.165 2.022 1.00 0.00 C ATOM 532 CD2 LEU A 39 5.249 3.624 1.654 1.00 0.00 C ATOM 0 H LEU A 39 5.586 3.160 5.641 1.00 0.00 H new ATOM 0 HA LEU A 39 4.222 4.925 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.978 1.953 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.087 2.776 3.121 1.00 0.00 H new ATOM 0 HG LEU A 39 6.106 2.506 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.820 0.995 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.990 0.380 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.053 1.150 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.070 3.420 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.313 3.667 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.420 4.579 2.150 1.00 0.00 H new ATOM 544 N ASP A 40 2.737 3.603 6.394 1.00 0.00 N ATOM 545 CA ASP A 40 1.556 3.709 7.248 1.00 0.00 C ATOM 546 C ASP A 40 1.326 5.137 7.738 1.00 0.00 C ATOM 547 O ASP A 40 0.207 5.646 7.674 1.00 0.00 O ATOM 548 CB ASP A 40 1.682 2.763 8.444 1.00 0.00 C ATOM 549 CG ASP A 40 0.478 2.829 9.366 1.00 0.00 C ATOM 550 OD1 ASP A 40 0.266 3.889 9.992 1.00 0.00 O ATOM 551 OD2 ASP A 40 -0.255 1.823 9.455 1.00 0.00 O ATOM 0 H ASP A 40 3.445 2.952 6.733 1.00 0.00 H new ATOM 0 HA ASP A 40 0.694 3.424 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.804 1.741 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.581 3.012 9.007 1.00 0.00 H new ATOM 556 N LEU A 41 2.376 5.776 8.243 1.00 0.00 N ATOM 557 CA LEU A 41 2.260 7.139 8.757 1.00 0.00 C ATOM 558 C LEU A 41 1.924 8.121 7.636 1.00 0.00 C ATOM 559 O LEU A 41 0.922 8.837 7.705 1.00 0.00 O ATOM 560 CB LEU A 41 3.565 7.547 9.456 1.00 0.00 C ATOM 561 CG LEU A 41 3.504 8.830 10.297 1.00 0.00 C ATOM 562 CD1 LEU A 41 4.741 8.943 11.172 1.00 0.00 C ATOM 563 CD2 LEU A 41 3.378 10.063 9.411 1.00 0.00 C ATOM 0 H LEU A 41 3.312 5.376 8.308 1.00 0.00 H new ATOM 0 HA LEU A 41 1.446 7.167 9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.880 6.727 10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.338 7.670 8.697 1.00 0.00 H new ATOM 0 HG LEU A 41 2.620 8.775 10.932 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.686 9.857 11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.795 8.082 11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.631 8.971 10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.337 10.956 10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.240 10.123 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.467 9.993 8.817 1.00 0.00 H new ATOM 575 N THR A 42 2.770 8.155 6.611 1.00 0.00 N ATOM 576 CA THR A 42 2.568 9.056 5.482 1.00 0.00 C ATOM 577 C THR A 42 1.197 8.851 4.851 1.00 0.00 C ATOM 578 O THR A 42 0.379 9.769 4.815 1.00 0.00 O ATOM 579 CB THR A 42 3.654 8.860 4.406 1.00 0.00 C ATOM 580 OG1 THR A 42 4.947 9.122 4.964 1.00 0.00 O ATOM 581 CG2 THR A 42 3.415 9.778 3.217 1.00 0.00 C ATOM 0 H THR A 42 3.602 7.569 6.539 1.00 0.00 H new ATOM 0 HA THR A 42 2.634 10.071 5.873 1.00 0.00 H new ATOM 0 HB THR A 42 3.608 7.827 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.401 8.274 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.195 9.620 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.443 9.557 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.435 10.816 3.549 1.00 0.00 H new ATOM 589 N ILE A 43 0.952 7.643 4.359 1.00 0.00 N ATOM 590 CA ILE A 43 -0.322 7.321 3.729 1.00 0.00 C ATOM 591 C ILE A 43 -1.481 7.537 4.694 1.00 0.00 C ATOM 592 O ILE A 43 -2.546 8.015 4.301 1.00 0.00 O ATOM 593 CB ILE A 43 -0.356 5.867 3.225 1.00 0.00 C ATOM 594 CG1 ILE A 43 0.783 5.620 2.233 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.699 5.566 2.584 1.00 0.00 C ATOM 596 CD1 ILE A 43 0.834 4.200 1.706 1.00 0.00 C ATOM 0 H ILE A 43 1.618 6.871 4.384 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.428 7.993 2.877 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.221 5.198 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.677 6.306 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.732 5.853 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.711 4.535 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.492 5.708 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.859 6.239 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.666 4.100 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.972 3.508 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.099 3.969 1.192 1.00 0.00 H new ATOM 608 N GLY A 44 -1.268 7.178 5.956 1.00 0.00 N ATOM 609 CA GLY A 44 -2.305 7.336 6.961 1.00 0.00 C ATOM 610 C GLY A 44 -2.865 8.742 6.996 1.00 0.00 C ATOM 611 O GLY A 44 -4.081 8.934 6.979 1.00 0.00 O ATOM 0 H GLY A 44 -0.395 6.780 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.112 6.631 6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.899 7.085 7.941 1.00 0.00 H new ATOM 615 N LEU A 45 -1.977 9.730 7.036 1.00 0.00 N ATOM 616 CA LEU A 45 -2.394 11.126 7.063 1.00 0.00 C ATOM 617 C LEU A 45 -3.012 11.522 5.724 1.00 0.00 C ATOM 618 O LEU A 45 -4.014 12.237 5.679 1.00 0.00 O ATOM 619 CB LEU A 45 -1.199 12.028 7.401 1.00 0.00 C ATOM 620 CG LEU A 45 -1.519 13.513 7.625 1.00 0.00 C ATOM 621 CD1 LEU A 45 -0.378 14.194 8.364 1.00 0.00 C ATOM 622 CD2 LEU A 45 -1.774 14.222 6.302 1.00 0.00 C ATOM 0 H LEU A 45 -0.967 9.590 7.050 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.151 11.253 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.719 11.640 8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.471 11.951 6.593 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.424 13.574 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.619 15.246 8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.232 13.712 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.536 14.112 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.998 15.272 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.888 14.147 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.619 13.755 5.796 1.00 0.00 H new ATOM 634 N LEU A 46 -2.407 11.052 4.636 1.00 0.00 N ATOM 635 CA LEU A 46 -2.892 11.358 3.292 1.00 0.00 C ATOM 636 C LEU A 46 -4.355 10.952 3.127 1.00 0.00 C ATOM 637 O LEU A 46 -5.123 11.647 2.463 1.00 0.00 O ATOM 638 CB LEU A 46 -2.027 10.659 2.241 1.00 0.00 C ATOM 639 CG LEU A 46 -0.543 11.041 2.268 1.00 0.00 C ATOM 640 CD1 LEU A 46 0.228 10.276 1.204 1.00 0.00 C ATOM 641 CD2 LEU A 46 -0.369 12.539 2.074 1.00 0.00 C ATOM 0 H LEU A 46 -1.579 10.457 4.659 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.822 12.436 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.112 9.581 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.428 10.886 1.253 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.142 10.772 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.279 10.562 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.137 9.205 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.178 10.511 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.692 12.788 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.790 12.833 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.884 13.072 2.874 1.00 0.00 H new ATOM 653 N LEU A 47 -4.740 9.831 3.740 1.00 0.00 N ATOM 654 CA LEU A 47 -6.119 9.359 3.659 1.00 0.00 C ATOM 655 C LEU A 47 -7.074 10.476 4.060 1.00 0.00 C ATOM 656 O LEU A 47 -8.097 10.701 3.412 1.00 0.00 O ATOM 657 CB LEU A 47 -6.337 8.150 4.568 1.00 0.00 C ATOM 658 CG LEU A 47 -5.462 6.936 4.256 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.736 5.813 5.243 1.00 0.00 C ATOM 660 CD2 LEU A 47 -5.695 6.460 2.830 1.00 0.00 C ATOM 0 H LEU A 47 -4.120 9.239 4.293 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.316 9.060 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.156 8.453 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.383 7.850 4.503 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.418 7.233 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.104 4.957 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.517 6.156 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.784 5.519 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.063 5.595 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.742 6.182 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.447 7.261 2.134 1.00 0.00 H new ATOM 672 N LYS A 48 -6.721 11.179 5.135 1.00 0.00 N ATOM 673 CA LYS A 48 -7.529 12.287 5.632 1.00 0.00 C ATOM 674 C LYS A 48 -7.244 13.555 4.833 1.00 0.00 C ATOM 675 O LYS A 48 -7.134 14.645 5.397 1.00 0.00 O ATOM 676 CB LYS A 48 -7.235 12.534 7.117 1.00 0.00 C ATOM 677 CG LYS A 48 -7.342 11.287 7.982 1.00 0.00 C ATOM 678 CD LYS A 48 -8.733 10.669 7.934 1.00 0.00 C ATOM 679 CE LYS A 48 -9.764 11.513 8.675 1.00 0.00 C ATOM 680 NZ LYS A 48 -9.983 12.837 8.029 1.00 0.00 N ATOM 0 H LYS A 48 -5.877 10.998 5.679 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.581 12.025 5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.231 12.947 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.927 13.287 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.609 10.552 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.094 11.540 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.041 10.552 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.701 9.671 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.709 10.972 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.435 11.663 9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.969 13.134 8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.345 13.540 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.788 12.763 7.010 1.00 0.00 H new ATOM 694 N GLU A 49 -7.113 13.402 3.519 1.00 0.00 N ATOM 695 CA GLU A 49 -6.829 14.530 2.640 1.00 0.00 C ATOM 696 C GLU A 49 -7.893 15.615 2.780 1.00 0.00 C ATOM 697 O GLU A 49 -7.589 16.807 2.715 1.00 0.00 O ATOM 698 CB GLU A 49 -6.746 14.059 1.187 1.00 0.00 C ATOM 699 CG GLU A 49 -6.219 15.119 0.236 1.00 0.00 C ATOM 700 CD GLU A 49 -4.762 15.464 0.487 1.00 0.00 C ATOM 701 OE1 GLU A 49 -4.150 14.851 1.387 1.00 0.00 O ATOM 702 OE2 GLU A 49 -4.232 16.346 -0.221 1.00 0.00 O ATOM 0 H GLU A 49 -7.199 12.506 3.039 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.869 14.955 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.101 13.182 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.737 13.747 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.333 14.769 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.823 16.021 0.334 1.00 0.00 H new ATOM 782 N MET B 1 -17.150 -12.145 -10.048 1.00 0.00 N ATOM 783 CA MET B 1 -16.382 -10.878 -9.952 1.00 0.00 C ATOM 784 C MET B 1 -15.219 -11.013 -8.974 1.00 0.00 C ATOM 785 O MET B 1 -15.355 -11.620 -7.911 1.00 0.00 O ATOM 786 CB MET B 1 -17.328 -9.764 -9.499 1.00 0.00 C ATOM 787 CG MET B 1 -16.665 -8.398 -9.416 1.00 0.00 C ATOM 788 SD MET B 1 -17.809 -7.106 -8.892 1.00 0.00 S ATOM 789 CE MET B 1 -16.751 -5.662 -8.938 1.00 0.00 C ATOM 0 H1 MET B 1 -16.977 -12.586 -10.974 1.00 0.00 H new ATOM 0 H2 MET B 1 -16.846 -12.793 -9.293 1.00 0.00 H new ATOM 0 H3 MET B 1 -18.165 -11.944 -9.944 1.00 0.00 H new ATOM 0 HA MET B 1 -15.964 -10.638 -10.930 1.00 0.00 H new ATOM 0 HB2 MET B 1 -18.169 -9.709 -10.191 1.00 0.00 H new ATOM 0 HB3 MET B 1 -17.736 -10.021 -8.521 1.00 0.00 H new ATOM 0 HG2 MET B 1 -15.830 -8.445 -8.717 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.251 -8.139 -10.390 1.00 0.00 H new ATOM 0 HE1 MET B 1 -17.234 -4.840 -8.410 1.00 0.00 H new ATOM 0 HE2 MET B 1 -15.800 -5.892 -8.458 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.574 -5.373 -9.974 1.00 0.00 H new ATOM 801 N GLN B 2 -14.078 -10.447 -9.345 1.00 0.00 N ATOM 802 CA GLN B 2 -12.886 -10.505 -8.509 1.00 0.00 C ATOM 803 C GLN B 2 -12.169 -9.160 -8.478 1.00 0.00 C ATOM 804 O GLN B 2 -12.032 -8.491 -9.503 1.00 0.00 O ATOM 805 CB GLN B 2 -11.939 -11.592 -9.019 1.00 0.00 C ATOM 806 CG GLN B 2 -11.678 -11.511 -10.513 1.00 0.00 C ATOM 807 CD GLN B 2 -10.775 -12.623 -11.011 1.00 0.00 C ATOM 808 OE1 GLN B 2 -9.621 -12.733 -10.598 1.00 0.00 O ATOM 809 NE2 GLN B 2 -11.298 -13.455 -11.902 1.00 0.00 N ATOM 0 H GLN B 2 -13.953 -9.941 -10.222 1.00 0.00 H new ATOM 0 HA GLN B 2 -13.197 -10.747 -7.493 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -10.991 -11.516 -8.487 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -12.359 -12.570 -8.783 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.628 -11.554 -11.046 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -11.224 -10.548 -10.747 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -12.260 -13.327 -12.217 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -10.738 -14.223 -12.272 1.00 0.00 H new ATOM 818 N ILE B 3 -11.719 -8.770 -7.291 1.00 0.00 N ATOM 819 CA ILE B 3 -11.019 -7.506 -7.113 1.00 0.00 C ATOM 820 C ILE B 3 -9.582 -7.734 -6.647 1.00 0.00 C ATOM 821 O ILE B 3 -9.315 -8.625 -5.835 1.00 0.00 O ATOM 822 CB ILE B 3 -11.752 -6.585 -6.111 1.00 0.00 C ATOM 823 CG1 ILE B 3 -11.609 -7.083 -4.662 1.00 0.00 C ATOM 824 CG2 ILE B 3 -13.220 -6.468 -6.488 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.200 -8.450 -4.394 1.00 0.00 C ATOM 0 H ILE B 3 -11.828 -9.314 -6.435 1.00 0.00 H new ATOM 0 HA ILE B 3 -11.002 -7.013 -8.085 1.00 0.00 H new ATOM 0 HB ILE B 3 -11.286 -5.601 -6.164 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -10.550 -7.105 -4.404 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -12.084 -6.362 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -13.728 -5.817 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -13.306 -6.047 -7.490 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -13.680 -7.456 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -12.049 -8.713 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -13.267 -8.435 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -11.709 -9.189 -5.027 1.00 0.00 H new ATOM 837 N PHE B 4 -8.663 -6.930 -7.179 1.00 0.00 N ATOM 838 CA PHE B 4 -7.251 -7.041 -6.830 1.00 0.00 C ATOM 839 C PHE B 4 -6.944 -6.331 -5.516 1.00 0.00 C ATOM 840 O PHE B 4 -7.498 -5.272 -5.225 1.00 0.00 O ATOM 841 CB PHE B 4 -6.371 -6.466 -7.945 1.00 0.00 C ATOM 842 CG PHE B 4 -6.308 -7.322 -9.180 1.00 0.00 C ATOM 843 CD1 PHE B 4 -7.464 -7.795 -9.781 1.00 0.00 C ATOM 844 CD2 PHE B 4 -5.084 -7.655 -9.739 1.00 0.00 C ATOM 845 CE1 PHE B 4 -7.400 -8.582 -10.915 1.00 0.00 C ATOM 846 CE2 PHE B 4 -5.015 -8.442 -10.872 1.00 0.00 C ATOM 847 CZ PHE B 4 -6.173 -8.906 -11.461 1.00 0.00 C ATOM 0 H PHE B 4 -8.873 -6.194 -7.854 1.00 0.00 H new ATOM 0 HA PHE B 4 -7.029 -8.101 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -6.747 -5.480 -8.218 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -5.361 -6.327 -7.560 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.426 -7.546 -9.358 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.174 -7.295 -9.283 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.308 -8.943 -11.374 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -4.055 -8.694 -11.297 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.120 -9.521 -12.347 1.00 0.00 H new ATOM 857 N VAL B 5 -6.047 -6.923 -4.735 1.00 0.00 N ATOM 858 CA VAL B 5 -5.646 -6.352 -3.457 1.00 0.00 C ATOM 859 C VAL B 5 -4.126 -6.229 -3.389 1.00 0.00 C ATOM 860 O VAL B 5 -3.450 -7.049 -2.766 1.00 0.00 O ATOM 861 CB VAL B 5 -6.145 -7.205 -2.273 1.00 0.00 C ATOM 862 CG1 VAL B 5 -5.786 -6.550 -0.948 1.00 0.00 C ATOM 863 CG2 VAL B 5 -7.647 -7.430 -2.371 1.00 0.00 C ATOM 0 H VAL B 5 -5.583 -7.801 -4.967 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.100 -5.364 -3.382 1.00 0.00 H new ATOM 0 HB VAL B 5 -5.649 -8.175 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.148 -7.169 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -4.703 -6.446 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.249 -5.565 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.980 -8.034 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.161 -6.469 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.877 -7.949 -3.302 1.00 0.00 H new ATOM 873 N LYS B 6 -3.598 -5.204 -4.051 1.00 0.00 N ATOM 874 CA LYS B 6 -2.159 -4.969 -4.086 1.00 0.00 C ATOM 875 C LYS B 6 -1.635 -4.531 -2.720 1.00 0.00 C ATOM 876 O LYS B 6 -2.130 -3.570 -2.135 1.00 0.00 O ATOM 877 CB LYS B 6 -1.826 -3.903 -5.130 1.00 0.00 C ATOM 878 CG LYS B 6 -0.341 -3.602 -5.238 1.00 0.00 C ATOM 879 CD LYS B 6 -0.077 -2.410 -6.141 1.00 0.00 C ATOM 880 CE LYS B 6 1.406 -2.087 -6.210 1.00 0.00 C ATOM 881 NZ LYS B 6 2.000 -1.930 -4.855 1.00 0.00 N ATOM 0 H LYS B 6 -4.148 -4.521 -4.572 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.674 -5.907 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.194 -4.231 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.358 -2.984 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.064 -3.404 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.181 -4.476 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.453 -2.620 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.623 -1.543 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.927 -2.881 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.552 -1.169 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.929 -1.469 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.372 -1.346 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.115 -2.866 -4.416 1.00 0.00 H new ATOM 895 N THR B 7 -0.621 -5.236 -2.229 1.00 0.00 N ATOM 896 CA THR B 7 -0.014 -4.919 -0.941 1.00 0.00 C ATOM 897 C THR B 7 1.161 -3.963 -1.117 1.00 0.00 C ATOM 898 O THR B 7 1.829 -3.981 -2.151 1.00 0.00 O ATOM 899 CB THR B 7 0.477 -6.188 -0.221 1.00 0.00 C ATOM 900 OG1 THR B 7 1.466 -6.854 -1.016 1.00 0.00 O ATOM 901 CG2 THR B 7 -0.679 -7.137 0.055 1.00 0.00 C ATOM 0 H THR B 7 -0.201 -6.034 -2.706 1.00 0.00 H new ATOM 0 HA THR B 7 -0.785 -4.444 -0.334 1.00 0.00 H new ATOM 0 HB THR B 7 0.917 -5.889 0.730 1.00 0.00 H new ATOM 0 HG1 THR B 7 2.316 -6.878 -0.528 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.306 -8.026 0.564 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.416 -6.639 0.686 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.145 -7.427 -0.887 1.00 0.00 H new ATOM 909 N LEU B 8 1.410 -3.131 -0.106 1.00 0.00 N ATOM 910 CA LEU B 8 2.513 -2.174 -0.160 1.00 0.00 C ATOM 911 C LEU B 8 3.796 -2.861 -0.619 1.00 0.00 C ATOM 912 O LEU B 8 4.581 -2.291 -1.377 1.00 0.00 O ATOM 913 CB LEU B 8 2.739 -1.524 1.209 1.00 0.00 C ATOM 914 CG LEU B 8 1.588 -0.661 1.732 1.00 0.00 C ATOM 915 CD1 LEU B 8 1.899 -0.157 3.132 1.00 0.00 C ATOM 916 CD2 LEU B 8 1.326 0.511 0.796 1.00 0.00 C ATOM 0 H LEU B 8 0.865 -3.101 0.756 1.00 0.00 H new ATOM 0 HA LEU B 8 2.247 -1.398 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU B 8 2.938 -2.311 1.936 1.00 0.00 H new ATOM 0 HB3 LEU B 8 3.636 -0.907 1.154 1.00 0.00 H new ATOM 0 HG LEU B 8 0.689 -1.277 1.773 1.00 0.00 H new ATOM 0 HD11 LEU B 8 1.071 0.455 3.491 1.00 0.00 H new ATOM 0 HD12 LEU B 8 2.039 -1.006 3.801 1.00 0.00 H new ATOM 0 HD13 LEU B 8 2.810 0.441 3.109 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.504 1.112 1.186 1.00 0.00 H new ATOM 0 HD22 LEU B 8 2.223 1.126 0.724 1.00 0.00 H new ATOM 0 HD23 LEU B 8 1.063 0.135 -0.193 1.00 0.00 H new ATOM 928 N THR B 9 3.999 -4.090 -0.152 1.00 0.00 N ATOM 929 CA THR B 9 5.183 -4.858 -0.512 1.00 0.00 C ATOM 930 C THR B 9 5.231 -5.146 -2.010 1.00 0.00 C ATOM 931 O THR B 9 6.191 -4.779 -2.688 1.00 0.00 O ATOM 932 CB THR B 9 5.241 -6.192 0.255 1.00 0.00 C ATOM 933 OG1 THR B 9 4.059 -6.960 -0.006 1.00 0.00 O ATOM 934 CG2 THR B 9 5.376 -5.951 1.752 1.00 0.00 C ATOM 0 H THR B 9 3.358 -4.574 0.477 1.00 0.00 H new ATOM 0 HA THR B 9 6.044 -4.247 -0.239 1.00 0.00 H new ATOM 0 HB THR B 9 6.116 -6.745 -0.088 1.00 0.00 H new ATOM 0 HG1 THR B 9 4.105 -7.807 0.484 1.00 0.00 H new ATOM 0 HG21 THR B 9 5.415 -6.908 2.273 1.00 0.00 H new ATOM 0 HG22 THR B 9 6.291 -5.393 1.950 1.00 0.00 H new ATOM 0 HG23 THR B 9 4.519 -5.379 2.107 1.00 0.00 H new ATOM 942 N GLY B 10 4.191 -5.800 -2.527 1.00 0.00 N ATOM 943 CA GLY B 10 4.153 -6.114 -3.945 1.00 0.00 C ATOM 944 C GLY B 10 3.395 -7.393 -4.256 1.00 0.00 C ATOM 945 O GLY B 10 3.976 -8.351 -4.766 1.00 0.00 O ATOM 0 H GLY B 10 3.381 -6.115 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY B 10 3.690 -5.286 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY B 10 5.173 -6.205 -4.318 1.00 0.00 H new ATOM 949 N LYS B 11 2.099 -7.416 -3.957 1.00 0.00 N ATOM 950 CA LYS B 11 1.281 -8.597 -4.221 1.00 0.00 C ATOM 951 C LYS B 11 -0.194 -8.228 -4.369 1.00 0.00 C ATOM 952 O LYS B 11 -0.811 -7.709 -3.440 1.00 0.00 O ATOM 953 CB LYS B 11 1.448 -9.617 -3.092 1.00 0.00 C ATOM 954 CG LYS B 11 0.729 -10.931 -3.344 1.00 0.00 C ATOM 955 CD LYS B 11 0.820 -11.854 -2.141 1.00 0.00 C ATOM 956 CE LYS B 11 0.184 -13.204 -2.425 1.00 0.00 C ATOM 957 NZ LYS B 11 -1.237 -13.071 -2.847 1.00 0.00 N ATOM 0 H LYS B 11 1.595 -6.636 -3.535 1.00 0.00 H new ATOM 0 HA LYS B 11 1.620 -9.035 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.510 -9.816 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS B 11 1.077 -9.182 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -0.318 -10.736 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.162 -11.423 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.866 -11.994 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS B 11 0.326 -11.390 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.748 -13.714 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.241 -13.827 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -1.858 -13.433 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.454 -12.069 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -1.393 -13.618 -3.718 1.00 0.00 H new ATOM 971 N THR B 12 -0.750 -8.504 -5.546 1.00 0.00 N ATOM 972 CA THR B 12 -2.151 -8.207 -5.826 1.00 0.00 C ATOM 973 C THR B 12 -3.055 -9.392 -5.495 1.00 0.00 C ATOM 974 O THR B 12 -3.482 -10.127 -6.387 1.00 0.00 O ATOM 975 CB THR B 12 -2.357 -7.812 -7.301 1.00 0.00 C ATOM 976 OG1 THR B 12 -1.916 -8.871 -8.159 1.00 0.00 O ATOM 977 CG2 THR B 12 -1.598 -6.536 -7.631 1.00 0.00 C ATOM 0 H THR B 12 -0.249 -8.934 -6.323 1.00 0.00 H new ATOM 0 HA THR B 12 -2.423 -7.366 -5.188 1.00 0.00 H new ATOM 0 HB THR B 12 -3.421 -7.635 -7.461 1.00 0.00 H new ATOM 0 HG1 THR B 12 -2.422 -9.686 -7.959 1.00 0.00 H new ATOM 0 HG21 THR B 12 -1.759 -6.277 -8.678 1.00 0.00 H new ATOM 0 HG22 THR B 12 -1.957 -5.725 -6.997 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.533 -6.690 -7.455 1.00 0.00 H new ATOM 985 N ILE B 13 -3.343 -9.577 -4.209 1.00 0.00 N ATOM 986 CA ILE B 13 -4.197 -10.675 -3.769 1.00 0.00 C ATOM 987 C ILE B 13 -5.590 -10.556 -4.381 1.00 0.00 C ATOM 988 O ILE B 13 -6.276 -9.552 -4.194 1.00 0.00 O ATOM 989 CB ILE B 13 -4.321 -10.705 -2.232 1.00 0.00 C ATOM 990 CG1 ILE B 13 -2.934 -10.729 -1.587 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.138 -11.911 -1.791 1.00 0.00 C ATOM 992 CD1 ILE B 13 -2.964 -10.637 -0.076 1.00 0.00 C ATOM 0 H ILE B 13 -2.998 -8.982 -3.456 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.731 -11.601 -4.105 1.00 0.00 H new ATOM 0 HB ILE B 13 -4.837 -9.802 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.424 -11.648 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.345 -9.901 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.217 -11.919 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.135 -11.854 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -4.647 -12.825 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -1.945 -10.660 0.310 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.444 -9.705 0.222 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.524 -11.480 0.329 1.00 0.00 H new ATOM 1004 N THR B 14 -6.004 -11.583 -5.117 1.00 0.00 N ATOM 1005 CA THR B 14 -7.315 -11.584 -5.758 1.00 0.00 C ATOM 1006 C THR B 14 -8.379 -12.205 -4.858 1.00 0.00 C ATOM 1007 O THR B 14 -8.174 -13.276 -4.286 1.00 0.00 O ATOM 1008 CB THR B 14 -7.285 -12.347 -7.096 1.00 0.00 C ATOM 1009 OG1 THR B 14 -6.300 -11.774 -7.964 1.00 0.00 O ATOM 1010 CG2 THR B 14 -8.649 -12.308 -7.773 1.00 0.00 C ATOM 0 H THR B 14 -5.452 -12.424 -5.284 1.00 0.00 H new ATOM 0 HA THR B 14 -7.570 -10.541 -5.944 1.00 0.00 H new ATOM 0 HB THR B 14 -7.028 -13.386 -6.891 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.286 -12.265 -8.812 1.00 0.00 H new ATOM 0 HG21 THR B 14 -8.603 -12.853 -8.716 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.391 -12.770 -7.122 1.00 0.00 H new ATOM 0 HG23 THR B 14 -8.930 -11.273 -7.966 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.521 -11.529 -4.746 1.00 0.00 N ATOM 1019 CA LEU B 15 -10.628 -12.018 -3.925 1.00 0.00 C ATOM 1020 C LEU B 15 -11.939 -11.971 -4.700 1.00 0.00 C ATOM 1021 O LEU B 15 -12.133 -11.116 -5.562 1.00 0.00 O ATOM 1022 CB LEU B 15 -10.769 -11.201 -2.634 1.00 0.00 C ATOM 1023 CG LEU B 15 -9.725 -11.473 -1.543 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -9.695 -12.949 -1.179 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -8.347 -11.003 -1.977 1.00 0.00 C ATOM 0 H LEU B 15 -9.704 -10.641 -5.213 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.403 -13.052 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.727 -10.143 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.758 -11.389 -2.216 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.013 -10.907 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.947 -13.117 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.675 -13.253 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.441 -13.536 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.627 -11.208 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.051 -11.532 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.374 -9.931 -2.175 1.00 0.00 H new ATOM 1037 N GLU B 16 -12.837 -12.894 -4.385 1.00 0.00 N ATOM 1038 CA GLU B 16 -14.137 -12.955 -5.046 1.00 0.00 C ATOM 1039 C GLU B 16 -15.178 -12.179 -4.248 1.00 0.00 C ATOM 1040 O GLU B 16 -15.359 -12.418 -3.055 1.00 0.00 O ATOM 1041 CB GLU B 16 -14.582 -14.409 -5.214 1.00 0.00 C ATOM 1042 CG GLU B 16 -15.930 -14.561 -5.904 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.351 -16.011 -6.053 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -15.592 -16.900 -5.610 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -17.439 -16.258 -6.612 1.00 0.00 O ATOM 0 H GLU B 16 -12.691 -13.612 -3.676 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.042 -12.500 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.827 -14.946 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.631 -14.880 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -16.688 -14.024 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.884 -14.097 -6.889 1.00 0.00 H new ATOM 1052 N VAL B 17 -15.863 -11.250 -4.913 1.00 0.00 N ATOM 1053 CA VAL B 17 -16.887 -10.440 -4.259 1.00 0.00 C ATOM 1054 C VAL B 17 -17.952 -9.985 -5.250 1.00 0.00 C ATOM 1055 O VAL B 17 -17.642 -9.579 -6.371 1.00 0.00 O ATOM 1056 CB VAL B 17 -16.284 -9.191 -3.577 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -15.372 -9.586 -2.426 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -15.534 -8.335 -4.587 1.00 0.00 C ATOM 0 H VAL B 17 -15.727 -11.041 -5.902 1.00 0.00 H new ATOM 0 HA VAL B 17 -17.341 -11.078 -3.500 1.00 0.00 H new ATOM 0 HB VAL B 17 -17.105 -8.600 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -14.961 -8.689 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -15.942 -10.147 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -14.558 -10.206 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -15.118 -7.461 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -14.727 -8.918 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -16.220 -8.011 -5.370 1.00 0.00 H new ATOM 1068 N GLU B 18 -19.210 -10.050 -4.824 1.00 0.00 N ATOM 1069 CA GLU B 18 -20.326 -9.638 -5.665 1.00 0.00 C ATOM 1070 C GLU B 18 -20.277 -8.137 -5.919 1.00 0.00 C ATOM 1071 O GLU B 18 -19.847 -7.370 -5.059 1.00 0.00 O ATOM 1072 CB GLU B 18 -21.658 -10.009 -5.006 1.00 0.00 C ATOM 1073 CG GLU B 18 -22.880 -9.649 -5.839 1.00 0.00 C ATOM 1074 CD GLU B 18 -22.950 -10.416 -7.146 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -22.032 -10.260 -7.980 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -23.924 -11.173 -7.337 1.00 0.00 O ATOM 0 H GLU B 18 -19.481 -10.385 -3.899 1.00 0.00 H new ATOM 0 HA GLU B 18 -20.245 -10.160 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -21.668 -11.081 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -21.727 -9.506 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -23.781 -9.848 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -22.867 -8.580 -6.051 1.00 0.00 H new ATOM 1083 N SER B 19 -20.717 -7.721 -7.101 1.00 0.00 N ATOM 1084 CA SER B 19 -20.719 -6.308 -7.454 1.00 0.00 C ATOM 1085 C SER B 19 -21.486 -5.495 -6.416 1.00 0.00 C ATOM 1086 O SER B 19 -21.071 -4.397 -6.043 1.00 0.00 O ATOM 1087 CB SER B 19 -21.336 -6.103 -8.838 1.00 0.00 C ATOM 1088 OG SER B 19 -20.648 -6.856 -9.822 1.00 0.00 O ATOM 0 H SER B 19 -21.076 -8.340 -7.828 1.00 0.00 H new ATOM 0 HA SER B 19 -19.686 -5.962 -7.474 1.00 0.00 H new ATOM 0 HB2 SER B 19 -22.385 -6.397 -8.819 1.00 0.00 H new ATOM 0 HB3 SER B 19 -21.307 -5.045 -9.099 1.00 0.00 H new ATOM 0 HG SER B 19 -19.682 -6.788 -9.670 1.00 0.00 H new ATOM 1094 N SER B 20 -22.606 -6.042 -5.951 1.00 0.00 N ATOM 1095 CA SER B 20 -23.429 -5.367 -4.953 1.00 0.00 C ATOM 1096 C SER B 20 -23.130 -5.889 -3.550 1.00 0.00 C ATOM 1097 O SER B 20 -24.027 -5.991 -2.712 1.00 0.00 O ATOM 1098 CB SER B 20 -24.914 -5.551 -5.274 1.00 0.00 C ATOM 1099 OG SER B 20 -25.235 -5.008 -6.544 1.00 0.00 O ATOM 0 H SER B 20 -22.964 -6.950 -6.249 1.00 0.00 H new ATOM 0 HA SER B 20 -23.187 -4.305 -4.982 1.00 0.00 H new ATOM 0 HB2 SER B 20 -25.164 -6.612 -5.255 1.00 0.00 H new ATOM 0 HB3 SER B 20 -25.518 -5.068 -4.506 1.00 0.00 H new ATOM 0 HG SER B 20 -26.189 -5.141 -6.725 1.00 0.00 H new ATOM 1105 N ASP B 21 -21.866 -6.215 -3.297 1.00 0.00 N ATOM 1106 CA ASP B 21 -21.453 -6.722 -1.991 1.00 0.00 C ATOM 1107 C ASP B 21 -21.199 -5.565 -1.021 1.00 0.00 C ATOM 1108 O ASP B 21 -22.066 -4.712 -0.827 1.00 0.00 O ATOM 1109 CB ASP B 21 -20.204 -7.600 -2.133 1.00 0.00 C ATOM 1110 CG ASP B 21 -19.875 -8.361 -0.861 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -20.621 -8.214 0.131 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -18.873 -9.105 -0.859 1.00 0.00 O ATOM 0 H ASP B 21 -21.110 -6.138 -3.978 1.00 0.00 H new ATOM 0 HA ASP B 21 -22.258 -7.334 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -20.354 -8.309 -2.947 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -19.355 -6.975 -2.407 1.00 0.00 H new ATOM 1117 N THR B 22 -20.012 -5.538 -0.413 1.00 0.00 N ATOM 1118 CA THR B 22 -19.655 -4.486 0.532 1.00 0.00 C ATOM 1119 C THR B 22 -18.190 -4.595 0.945 1.00 0.00 C ATOM 1120 O THR B 22 -17.657 -5.696 1.088 1.00 0.00 O ATOM 1121 CB THR B 22 -20.539 -4.532 1.795 1.00 0.00 C ATOM 1122 OG1 THR B 22 -20.148 -3.497 2.705 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.434 -5.884 2.484 1.00 0.00 C ATOM 0 H THR B 22 -19.282 -6.235 -0.560 1.00 0.00 H new ATOM 0 HA THR B 22 -19.819 -3.537 0.022 1.00 0.00 H new ATOM 0 HB THR B 22 -21.574 -4.378 1.490 1.00 0.00 H new ATOM 0 HG1 THR B 22 -20.715 -3.532 3.504 1.00 0.00 H new ATOM 0 HG21 THR B 22 -21.067 -5.890 3.372 1.00 0.00 H new ATOM 0 HG22 THR B 22 -20.761 -6.667 1.800 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.399 -6.065 2.775 1.00 0.00 H new ATOM 1131 N ILE B 23 -17.546 -3.446 1.130 1.00 0.00 N ATOM 1132 CA ILE B 23 -16.140 -3.408 1.522 1.00 0.00 C ATOM 1133 C ILE B 23 -15.894 -4.258 2.765 1.00 0.00 C ATOM 1134 O ILE B 23 -14.872 -4.937 2.870 1.00 0.00 O ATOM 1135 CB ILE B 23 -15.674 -1.963 1.801 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -15.946 -1.064 0.589 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -14.196 -1.942 2.164 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -15.236 -1.501 -0.676 1.00 0.00 C ATOM 0 H ILE B 23 -17.976 -2.528 1.015 1.00 0.00 H new ATOM 0 HA ILE B 23 -15.567 -3.813 0.688 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.242 -1.575 2.647 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -17.019 -1.041 0.401 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -15.642 -0.045 0.830 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -13.883 -0.916 2.358 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -14.032 -2.546 3.056 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -13.613 -2.349 1.338 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -15.480 -0.814 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -14.159 -1.497 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -15.557 -2.507 -0.945 1.00 0.00 H new ATOM 1150 N ASP B 24 -16.836 -4.215 3.704 1.00 0.00 N ATOM 1151 CA ASP B 24 -16.721 -4.983 4.941 1.00 0.00 C ATOM 1152 C ASP B 24 -16.519 -6.465 4.642 1.00 0.00 C ATOM 1153 O ASP B 24 -15.675 -7.120 5.254 1.00 0.00 O ATOM 1154 CB ASP B 24 -17.972 -4.787 5.803 1.00 0.00 C ATOM 1155 CG ASP B 24 -17.889 -5.521 7.129 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -17.785 -6.766 7.116 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -17.929 -4.850 8.181 1.00 0.00 O ATOM 0 H ASP B 24 -17.687 -3.657 3.632 1.00 0.00 H new ATOM 0 HA ASP B 24 -15.851 -4.621 5.489 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -18.117 -3.723 5.990 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -18.846 -5.136 5.253 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.296 -6.987 3.696 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.198 -8.392 3.315 1.00 0.00 C ATOM 1164 C ASN B 25 -15.803 -8.709 2.788 1.00 0.00 C ATOM 1165 O ASN B 25 -15.222 -9.740 3.122 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.249 -8.731 2.254 1.00 0.00 C ATOM 1167 CG ASN B 25 -18.229 -10.196 1.860 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -17.219 -10.709 1.381 1.00 0.00 O ATOM 1169 ND2 ASN B 25 -19.352 -10.877 2.057 1.00 0.00 N ATOM 0 H ASN B 25 -17.999 -6.458 3.180 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.382 -9.000 4.201 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -19.238 -8.474 2.633 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -18.077 -8.118 1.369 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -19.400 -11.865 1.808 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -20.167 -10.412 2.457 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.274 -7.813 1.958 1.00 0.00 N ATOM 1177 CA VAL B 26 -13.948 -7.993 1.382 1.00 0.00 C ATOM 1178 C VAL B 26 -12.888 -8.103 2.474 1.00 0.00 C ATOM 1179 O VAL B 26 -12.029 -8.984 2.429 1.00 0.00 O ATOM 1180 CB VAL B 26 -13.585 -6.830 0.438 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.219 -7.055 -0.194 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -14.654 -6.659 -0.631 1.00 0.00 C ATOM 0 H VAL B 26 -15.745 -6.955 1.670 1.00 0.00 H new ATOM 0 HA VAL B 26 -13.971 -8.920 0.809 1.00 0.00 H new ATOM 0 HB VAL B 26 -13.538 -5.913 1.025 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -11.983 -6.222 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -11.463 -7.122 0.588 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -12.231 -7.982 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -14.382 -5.834 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -14.735 -7.576 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -15.612 -6.444 -0.157 1.00 0.00 H new ATOM 1192 N LYS B 27 -12.956 -7.208 3.457 1.00 0.00 N ATOM 1193 CA LYS B 27 -12.002 -7.213 4.563 1.00 0.00 C ATOM 1194 C LYS B 27 -12.096 -8.513 5.353 1.00 0.00 C ATOM 1195 O LYS B 27 -11.081 -9.075 5.764 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.244 -6.020 5.490 1.00 0.00 C ATOM 1197 CG LYS B 27 -11.976 -4.675 4.835 1.00 0.00 C ATOM 1198 CD LYS B 27 -12.187 -3.527 5.810 1.00 0.00 C ATOM 1199 CE LYS B 27 -11.881 -2.185 5.166 1.00 0.00 C ATOM 1200 NZ LYS B 27 -12.093 -1.053 6.109 1.00 0.00 N ATOM 0 H LYS B 27 -13.660 -6.472 3.510 1.00 0.00 H new ATOM 0 HA LYS B 27 -11.000 -7.133 4.142 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.276 -6.045 5.839 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.608 -6.119 6.370 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.953 -4.650 4.458 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.635 -4.550 3.976 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.218 -3.535 6.165 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.548 -3.667 6.682 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -10.848 -2.177 4.817 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.515 -2.050 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -11.873 -0.156 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -13.084 -1.044 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -11.470 -1.167 6.934 1.00 0.00 H new ATOM 1214 N SER B 28 -13.321 -8.986 5.561 1.00 0.00 N ATOM 1215 CA SER B 28 -13.550 -10.220 6.302 1.00 0.00 C ATOM 1216 C SER B 28 -12.902 -11.407 5.597 1.00 0.00 C ATOM 1217 O SER B 28 -12.231 -12.226 6.228 1.00 0.00 O ATOM 1218 CB SER B 28 -15.049 -10.466 6.470 1.00 0.00 C ATOM 1219 OG SER B 28 -15.294 -11.678 7.161 1.00 0.00 O ATOM 0 H SER B 28 -14.171 -8.532 5.226 1.00 0.00 H new ATOM 0 HA SER B 28 -13.094 -10.114 7.286 1.00 0.00 H new ATOM 0 HB2 SER B 28 -15.498 -9.636 7.016 1.00 0.00 H new ATOM 0 HB3 SER B 28 -15.527 -10.499 5.491 1.00 0.00 H new ATOM 0 HG SER B 28 -16.260 -11.811 7.256 1.00 0.00 H new ATOM 1225 N LYS B 29 -13.104 -11.493 4.285 1.00 0.00 N ATOM 1226 CA LYS B 29 -12.534 -12.579 3.495 1.00 0.00 C ATOM 1227 C LYS B 29 -11.015 -12.576 3.593 1.00 0.00 C ATOM 1228 O LYS B 29 -10.398 -13.613 3.831 1.00 0.00 O ATOM 1229 CB LYS B 29 -12.962 -12.459 2.032 1.00 0.00 C ATOM 1230 CG LYS B 29 -14.466 -12.542 1.829 1.00 0.00 C ATOM 1231 CD LYS B 29 -14.836 -12.461 0.355 1.00 0.00 C ATOM 1232 CE LYS B 29 -14.238 -13.613 -0.437 1.00 0.00 C ATOM 1233 NZ LYS B 29 -14.709 -14.935 0.061 1.00 0.00 N ATOM 0 H LYS B 29 -13.657 -10.825 3.748 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.908 -13.521 3.896 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.602 -11.511 1.633 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.482 -13.250 1.456 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.840 -13.476 2.248 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.953 -11.732 2.372 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.921 -12.472 0.251 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.485 -11.515 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.503 -13.506 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.151 -13.569 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.447 -15.676 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.266 -15.138 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.743 -14.916 0.171 1.00 0.00 H new ATOM 1247 N ILE B 30 -10.417 -11.401 3.418 1.00 0.00 N ATOM 1248 CA ILE B 30 -8.969 -11.262 3.499 1.00 0.00 C ATOM 1249 C ILE B 30 -8.479 -11.609 4.900 1.00 0.00 C ATOM 1250 O ILE B 30 -7.395 -12.165 5.074 1.00 0.00 O ATOM 1251 CB ILE B 30 -8.517 -9.830 3.145 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -9.004 -9.454 1.742 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -7.001 -9.712 3.238 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -8.662 -8.035 1.338 1.00 0.00 C ATOM 0 H ILE B 30 -10.914 -10.533 3.219 1.00 0.00 H new ATOM 0 HA ILE B 30 -8.536 -11.953 2.775 1.00 0.00 H new ATOM 0 HB ILE B 30 -8.957 -9.136 3.861 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.568 -10.143 1.019 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -10.085 -9.585 1.695 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -6.699 -8.696 2.985 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -6.680 -9.944 4.253 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -6.538 -10.412 2.542 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -9.039 -7.842 0.334 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.121 -7.337 2.038 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.580 -7.904 1.351 1.00 0.00 H new ATOM 1266 N GLN B 31 -9.293 -11.274 5.896 1.00 0.00 N ATOM 1267 CA GLN B 31 -8.959 -11.543 7.289 1.00 0.00 C ATOM 1268 C GLN B 31 -8.789 -13.039 7.534 1.00 0.00 C ATOM 1269 O GLN B 31 -7.803 -13.472 8.124 1.00 0.00 O ATOM 1270 CB GLN B 31 -10.052 -10.987 8.205 1.00 0.00 C ATOM 1271 CG GLN B 31 -9.825 -11.280 9.680 1.00 0.00 C ATOM 1272 CD GLN B 31 -10.940 -10.750 10.569 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -11.925 -10.086 9.971 1.00 0.00 O flip ATOM 1274 NE2 GLN B 31 -10.912 -10.934 11.787 1.00 0.00 N flip ATOM 0 H GLN B 31 -10.193 -10.813 5.762 1.00 0.00 H new ATOM 0 HA GLN B 31 -8.013 -11.051 7.513 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -10.117 -9.908 8.064 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -11.012 -11.406 7.905 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -9.736 -12.357 9.821 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -8.878 -10.838 9.991 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -10.138 -11.449 12.207 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -11.663 -10.572 12.375 1.00 0.00 H new ATOM 1283 N ASP B 32 -9.762 -13.823 7.085 1.00 0.00 N ATOM 1284 CA ASP B 32 -9.723 -15.271 7.265 1.00 0.00 C ATOM 1285 C ASP B 32 -8.683 -15.921 6.352 1.00 0.00 C ATOM 1286 O ASP B 32 -7.964 -16.831 6.766 1.00 0.00 O ATOM 1287 CB ASP B 32 -11.106 -15.870 6.991 1.00 0.00 C ATOM 1288 CG ASP B 32 -11.157 -17.365 7.255 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -10.428 -18.116 6.574 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -11.928 -17.783 8.145 1.00 0.00 O ATOM 0 H ASP B 32 -10.588 -13.481 6.594 1.00 0.00 H new ATOM 0 HA ASP B 32 -9.437 -15.473 8.297 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -11.845 -15.369 7.616 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -11.382 -15.678 5.954 1.00 0.00 H new ATOM 1295 N LYS B 33 -8.623 -15.459 5.108 1.00 0.00 N ATOM 1296 CA LYS B 33 -7.690 -16.003 4.124 1.00 0.00 C ATOM 1297 C LYS B 33 -6.234 -15.805 4.547 1.00 0.00 C ATOM 1298 O LYS B 33 -5.490 -16.772 4.710 1.00 0.00 O ATOM 1299 CB LYS B 33 -7.929 -15.342 2.764 1.00 0.00 C ATOM 1300 CG LYS B 33 -7.036 -15.874 1.654 1.00 0.00 C ATOM 1301 CD LYS B 33 -7.315 -15.176 0.333 1.00 0.00 C ATOM 1302 CE LYS B 33 -6.422 -15.703 -0.777 1.00 0.00 C ATOM 1303 NZ LYS B 33 -6.664 -15.001 -2.068 1.00 0.00 N ATOM 0 H LYS B 33 -9.212 -14.705 4.754 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.871 -17.076 4.053 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.971 -15.487 2.479 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -7.771 -14.268 2.860 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -5.990 -15.733 1.928 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -7.194 -16.947 1.541 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.360 -15.319 0.059 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.159 -14.103 0.448 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.377 -15.583 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -6.597 -16.771 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.829 -15.102 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.491 -15.418 -2.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.841 -13.992 -1.887 1.00 0.00 H new ATOM 1317 N GLU B 34 -5.832 -14.548 4.708 1.00 0.00 N ATOM 1318 CA GLU B 34 -4.460 -14.221 5.095 1.00 0.00 C ATOM 1319 C GLU B 34 -4.236 -14.393 6.594 1.00 0.00 C ATOM 1320 O GLU B 34 -3.185 -14.875 7.020 1.00 0.00 O ATOM 1321 CB GLU B 34 -4.122 -12.787 4.682 1.00 0.00 C ATOM 1322 CG GLU B 34 -4.138 -12.569 3.177 1.00 0.00 C ATOM 1323 CD GLU B 34 -3.072 -13.374 2.454 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -2.255 -14.031 3.135 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -3.050 -13.343 1.207 1.00 0.00 O ATOM 0 H GLU B 34 -6.436 -13.737 4.577 1.00 0.00 H new ATOM 0 HA GLU B 34 -3.800 -14.916 4.576 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.835 -12.106 5.147 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -3.136 -12.529 5.068 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -5.119 -12.840 2.786 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.992 -11.510 2.966 1.00 0.00 H new ATOM 1332 N GLY B 35 -5.217 -13.983 7.389 1.00 0.00 N ATOM 1333 CA GLY B 35 -5.094 -14.088 8.831 1.00 0.00 C ATOM 1334 C GLY B 35 -4.581 -12.805 9.452 1.00 0.00 C ATOM 1335 O GLY B 35 -3.698 -12.827 10.309 1.00 0.00 O ATOM 0 H GLY B 35 -6.095 -13.580 7.061 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -6.065 -14.336 9.261 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -4.418 -14.906 9.079 1.00 0.00 H new ATOM 1339 N ILE B 36 -5.139 -11.680 9.012 1.00 0.00 N ATOM 1340 CA ILE B 36 -4.743 -10.372 9.519 1.00 0.00 C ATOM 1341 C ILE B 36 -5.934 -9.640 10.133 1.00 0.00 C ATOM 1342 O ILE B 36 -7.015 -9.602 9.543 1.00 0.00 O ATOM 1343 CB ILE B 36 -4.141 -9.501 8.398 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -2.934 -10.206 7.774 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -3.750 -8.130 8.937 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -2.305 -9.440 6.629 1.00 0.00 C ATOM 0 H ILE B 36 -5.870 -11.650 8.302 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.988 -10.540 10.287 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.894 -9.356 7.624 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.182 -10.371 8.546 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -3.243 -11.188 7.416 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.327 -7.529 8.132 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.633 -7.631 9.337 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.010 -8.248 9.729 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.457 -10.002 6.238 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -3.042 -9.298 5.838 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.964 -8.468 6.985 1.00 0.00 H new ATOM 1358 N PRO B 37 -5.758 -9.047 11.331 1.00 0.00 N ATOM 1359 CA PRO B 37 -6.831 -8.316 12.013 1.00 0.00 C ATOM 1360 C PRO B 37 -7.496 -7.286 11.098 1.00 0.00 C ATOM 1361 O PRO B 37 -6.819 -6.586 10.349 1.00 0.00 O ATOM 1362 CB PRO B 37 -6.109 -7.616 13.165 1.00 0.00 C ATOM 1363 CG PRO B 37 -4.917 -8.467 13.437 1.00 0.00 C ATOM 1364 CD PRO B 37 -4.504 -9.043 12.112 1.00 0.00 C ATOM 0 HA PRO B 37 -7.635 -8.977 12.337 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -5.817 -6.602 12.892 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -6.749 -7.538 14.044 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.110 -7.879 13.875 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.157 -9.258 14.148 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.735 -8.437 11.633 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.096 -10.048 12.221 1.00 0.00 H new ATOM 1372 N PRO B 38 -8.839 -7.186 11.145 1.00 0.00 N ATOM 1373 CA PRO B 38 -9.591 -6.240 10.312 1.00 0.00 C ATOM 1374 C PRO B 38 -9.184 -4.791 10.561 1.00 0.00 C ATOM 1375 O PRO B 38 -8.992 -4.020 9.622 1.00 0.00 O ATOM 1376 CB PRO B 38 -11.052 -6.463 10.726 1.00 0.00 C ATOM 1377 CG PRO B 38 -10.986 -7.169 12.037 1.00 0.00 C ATOM 1378 CD PRO B 38 -9.726 -7.983 12.007 1.00 0.00 C ATOM 0 HA PRO B 38 -9.408 -6.410 9.251 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.584 -5.516 10.816 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -11.584 -7.059 9.985 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.971 -6.458 12.863 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.859 -7.806 12.181 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -9.307 -8.116 13.005 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.898 -8.979 11.598 1.00 0.00 H new ATOM 1386 N ASP B 39 -9.057 -4.429 11.833 1.00 0.00 N ATOM 1387 CA ASP B 39 -8.676 -3.073 12.208 1.00 0.00 C ATOM 1388 C ASP B 39 -7.290 -2.725 11.672 1.00 0.00 C ATOM 1389 O ASP B 39 -7.071 -1.632 11.151 1.00 0.00 O ATOM 1390 CB ASP B 39 -8.696 -2.923 13.732 1.00 0.00 C ATOM 1391 CG ASP B 39 -8.416 -1.500 14.183 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -8.264 -0.616 13.315 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -8.353 -1.271 15.410 1.00 0.00 O ATOM 0 H ASP B 39 -9.213 -5.056 12.622 1.00 0.00 H new ATOM 0 HA ASP B 39 -9.398 -2.385 11.768 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -9.669 -3.236 14.111 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.954 -3.591 14.169 1.00 0.00 H new ATOM 1398 N GLN B 40 -6.356 -3.661 11.814 1.00 0.00 N ATOM 1399 CA GLN B 40 -4.986 -3.452 11.356 1.00 0.00 C ATOM 1400 C GLN B 40 -4.931 -3.220 9.847 1.00 0.00 C ATOM 1401 O GLN B 40 -4.395 -2.214 9.384 1.00 0.00 O ATOM 1402 CB GLN B 40 -4.119 -4.657 11.730 1.00 0.00 C ATOM 1403 CG GLN B 40 -2.664 -4.512 11.320 1.00 0.00 C ATOM 1404 CD GLN B 40 -1.831 -5.725 11.685 1.00 0.00 C ATOM 1405 OE1 GLN B 40 -1.191 -6.325 10.687 1.00 0.00 O flip ATOM 1406 NE2 GLN B 40 -1.761 -6.117 12.849 1.00 0.00 N flip ATOM 0 H GLN B 40 -6.523 -4.571 12.243 1.00 0.00 H new ATOM 0 HA GLN B 40 -4.600 -2.559 11.849 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -4.170 -4.810 12.808 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -4.532 -5.550 11.262 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -2.608 -4.348 10.244 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -2.242 -3.629 11.799 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -2.269 -5.626 13.584 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -1.195 -6.933 13.079 1.00 0.00 H new ATOM 1415 N GLN B 41 -5.482 -4.161 9.086 1.00 0.00 N ATOM 1416 CA GLN B 41 -5.488 -4.061 7.630 1.00 0.00 C ATOM 1417 C GLN B 41 -6.378 -2.915 7.160 1.00 0.00 C ATOM 1418 O GLN B 41 -7.421 -2.641 7.754 1.00 0.00 O ATOM 1419 CB GLN B 41 -5.950 -5.381 7.011 1.00 0.00 C ATOM 1420 CG GLN B 41 -7.357 -5.791 7.413 1.00 0.00 C ATOM 1421 CD GLN B 41 -7.756 -7.151 6.866 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -8.869 -7.622 7.102 1.00 0.00 O ATOM 1423 NE2 GLN B 41 -6.852 -7.795 6.132 1.00 0.00 N ATOM 0 H GLN B 41 -5.930 -5.001 9.453 1.00 0.00 H new ATOM 0 HA GLN B 41 -4.470 -3.853 7.301 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -5.903 -5.298 5.925 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -5.256 -6.170 7.301 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -7.428 -5.807 8.501 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.064 -5.041 7.058 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -5.940 -7.372 5.959 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -7.071 -8.712 5.743 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.954 -2.242 6.091 1.00 0.00 N ATOM 1433 CA ARG B 42 -6.709 -1.120 5.545 1.00 0.00 C ATOM 1434 C ARG B 42 -6.752 -1.173 4.019 1.00 0.00 C ATOM 1435 O ARG B 42 -5.714 -1.217 3.360 1.00 0.00 O ATOM 1436 CB ARG B 42 -6.088 0.203 5.999 1.00 0.00 C ATOM 1437 CG ARG B 42 -6.103 0.398 7.506 1.00 0.00 C ATOM 1438 CD ARG B 42 -5.493 1.733 7.901 1.00 0.00 C ATOM 1439 NE ARG B 42 -4.101 1.846 7.475 1.00 0.00 N ATOM 1440 CZ ARG B 42 -3.353 2.927 7.677 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -3.862 3.984 8.295 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -2.095 2.952 7.261 1.00 0.00 N ATOM 0 H ARG B 42 -5.093 -2.455 5.588 1.00 0.00 H new ATOM 0 HA ARG B 42 -7.730 -1.189 5.919 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -5.058 0.251 5.645 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -6.625 1.027 5.529 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -7.129 0.343 7.871 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -5.551 -0.411 7.984 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -6.074 2.542 7.459 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.552 1.853 8.983 1.00 0.00 H new ATOM 0 HE ARG B 42 -3.678 1.051 6.995 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -4.830 3.970 8.617 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -3.286 4.812 8.448 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -1.699 2.141 6.785 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -1.523 3.782 7.417 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.962 -1.161 3.467 1.00 0.00 N ATOM 1457 CA LEU B 43 -8.144 -1.201 2.018 1.00 0.00 C ATOM 1458 C LEU B 43 -8.265 0.209 1.446 1.00 0.00 C ATOM 1459 O LEU B 43 -9.366 0.743 1.311 1.00 0.00 O ATOM 1460 CB LEU B 43 -9.388 -2.019 1.658 1.00 0.00 C ATOM 1461 CG LEU B 43 -9.366 -3.482 2.112 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -10.652 -4.184 1.704 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -8.159 -4.207 1.535 1.00 0.00 C ATOM 0 H LEU B 43 -8.831 -1.124 4.000 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.267 -1.678 1.581 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.260 -1.534 2.095 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.518 -1.994 0.576 1.00 0.00 H new ATOM 0 HG LEU B 43 -9.289 -3.502 3.199 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -10.620 -5.222 2.034 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -11.503 -3.682 2.166 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.756 -4.151 0.619 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -8.163 -5.244 1.870 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.203 -4.177 0.446 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.245 -3.720 1.875 1.00 0.00 H new ATOM 1475 N ILE B 44 -7.127 0.809 1.114 1.00 0.00 N ATOM 1476 CA ILE B 44 -7.106 2.158 0.560 1.00 0.00 C ATOM 1477 C ILE B 44 -7.403 2.153 -0.936 1.00 0.00 C ATOM 1478 O ILE B 44 -6.960 1.268 -1.674 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.749 2.848 0.804 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.504 3.019 2.304 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.706 4.199 0.100 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -4.079 3.381 2.644 1.00 0.00 C ATOM 0 H ILE B 44 -6.207 0.382 1.219 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.887 2.717 1.075 1.00 0.00 H new ATOM 0 HB ILE B 44 -4.959 2.219 0.392 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -6.168 3.794 2.687 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.767 2.093 2.815 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.742 4.674 0.282 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.843 4.055 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.502 4.836 0.486 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.978 3.486 3.724 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.410 2.596 2.292 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.818 4.323 2.162 1.00 0.00 H new ATOM 1494 N PHE B 45 -8.158 3.157 -1.367 1.00 0.00 N ATOM 1495 CA PHE B 45 -8.536 3.306 -2.765 1.00 0.00 C ATOM 1496 C PHE B 45 -9.072 4.713 -3.001 1.00 0.00 C ATOM 1497 O PHE B 45 -9.594 5.344 -2.082 1.00 0.00 O ATOM 1498 CB PHE B 45 -9.588 2.262 -3.148 1.00 0.00 C ATOM 1499 CG PHE B 45 -9.976 2.285 -4.602 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -9.009 2.342 -5.594 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -11.309 2.242 -4.973 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -9.367 2.357 -6.929 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -11.673 2.257 -6.306 1.00 0.00 C ATOM 1504 CZ PHE B 45 -10.700 2.314 -7.285 1.00 0.00 C ATOM 0 H PHE B 45 -8.524 3.889 -0.758 1.00 0.00 H new ATOM 0 HA PHE B 45 -7.657 3.149 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -9.208 1.271 -2.900 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.480 2.422 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -7.965 2.375 -5.321 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -12.074 2.196 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -8.605 2.402 -7.693 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -12.717 2.224 -6.582 1.00 0.00 H new ATOM 0 HZ PHE B 45 -10.982 2.325 -8.328 1.00 0.00 H new ATOM 1514 N ALA B 46 -8.918 5.213 -4.221 1.00 0.00 N ATOM 1515 CA ALA B 46 -9.371 6.557 -4.550 1.00 0.00 C ATOM 1516 C ALA B 46 -8.691 7.574 -3.638 1.00 0.00 C ATOM 1517 O ALA B 46 -9.251 8.623 -3.319 1.00 0.00 O ATOM 1518 CB ALA B 46 -10.885 6.654 -4.432 1.00 0.00 C ATOM 0 H ALA B 46 -8.485 4.710 -4.995 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.098 6.778 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.205 7.666 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -11.350 5.946 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -11.186 6.420 -3.411 1.00 0.00 H new ATOM 1524 N GLY B 47 -7.470 7.242 -3.231 1.00 0.00 N ATOM 1525 CA GLY B 47 -6.696 8.111 -2.365 1.00 0.00 C ATOM 1526 C GLY B 47 -7.276 8.252 -0.968 1.00 0.00 C ATOM 1527 O GLY B 47 -7.109 9.293 -0.332 1.00 0.00 O ATOM 0 H GLY B 47 -6.999 6.375 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -5.680 7.724 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -6.628 9.098 -2.822 1.00 0.00 H new ATOM 1531 N LYS B 48 -7.944 7.206 -0.476 1.00 0.00 N ATOM 1532 CA LYS B 48 -8.522 7.243 0.867 1.00 0.00 C ATOM 1533 C LYS B 48 -9.090 5.886 1.282 1.00 0.00 C ATOM 1534 O LYS B 48 -9.612 5.139 0.456 1.00 0.00 O ATOM 1535 CB LYS B 48 -9.610 8.316 0.959 1.00 0.00 C ATOM 1536 CG LYS B 48 -10.298 8.366 2.315 1.00 0.00 C ATOM 1537 CD LYS B 48 -11.216 9.571 2.438 1.00 0.00 C ATOM 1538 CE LYS B 48 -12.339 9.533 1.412 1.00 0.00 C ATOM 1539 NZ LYS B 48 -13.232 10.719 1.519 1.00 0.00 N ATOM 0 H LYS B 48 -8.096 6.333 -0.981 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.715 7.492 1.556 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.168 9.290 0.748 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -10.358 8.132 0.187 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.875 7.453 2.464 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.546 8.400 3.103 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.641 9.603 3.441 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.636 10.485 2.308 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -11.913 9.489 0.410 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.925 8.624 1.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.983 10.654 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.659 10.748 2.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.679 11.586 1.362 1.00 0.00 H new ATOM 1553 N GLN B 49 -8.988 5.586 2.575 1.00 0.00 N ATOM 1554 CA GLN B 49 -9.493 4.330 3.125 1.00 0.00 C ATOM 1555 C GLN B 49 -10.966 4.132 2.776 1.00 0.00 C ATOM 1556 O GLN B 49 -11.796 5.006 3.027 1.00 0.00 O ATOM 1557 CB GLN B 49 -9.308 4.319 4.648 1.00 0.00 C ATOM 1558 CG GLN B 49 -10.041 3.189 5.359 1.00 0.00 C ATOM 1559 CD GLN B 49 -9.541 1.813 4.967 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -9.592 1.428 3.799 1.00 0.00 O ATOM 1561 NE2 GLN B 49 -9.061 1.058 5.947 1.00 0.00 N ATOM 0 H GLN B 49 -8.557 6.201 3.266 1.00 0.00 H new ATOM 0 HA GLN B 49 -8.927 3.509 2.685 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.244 4.245 4.873 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.653 5.271 5.051 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.932 3.315 6.436 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -11.106 3.259 5.136 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.037 1.416 6.902 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -8.716 0.119 5.746 1.00 0.00 H new ATOM 1570 N LEU B 50 -11.282 2.975 2.199 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.655 2.659 1.820 1.00 0.00 C ATOM 1572 C LEU B 50 -13.481 2.278 3.044 1.00 0.00 C ATOM 1573 O LEU B 50 -13.058 1.457 3.858 1.00 0.00 O ATOM 1574 CB LEU B 50 -12.679 1.511 0.808 1.00 0.00 C ATOM 1575 CG LEU B 50 -11.886 1.750 -0.478 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -11.892 0.502 -1.343 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -12.459 2.928 -1.251 1.00 0.00 C ATOM 0 H LEU B 50 -10.606 2.242 1.984 1.00 0.00 H new ATOM 0 HA LEU B 50 -13.091 3.548 1.365 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -12.291 0.615 1.292 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -13.716 1.306 0.542 1.00 0.00 H new ATOM 0 HG LEU B 50 -10.856 1.983 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -11.324 0.688 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -11.438 -0.323 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -12.919 0.244 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -11.881 3.081 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -13.497 2.722 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -12.410 3.826 -0.635 1.00 0.00 H new ATOM 1589 N GLU B 51 -14.665 2.870 3.164 1.00 0.00 N ATOM 1590 CA GLU B 51 -15.551 2.582 4.285 1.00 0.00 C ATOM 1591 C GLU B 51 -16.106 1.167 4.177 1.00 0.00 C ATOM 1592 O GLU B 51 -16.598 0.765 3.122 1.00 0.00 O ATOM 1593 CB GLU B 51 -16.698 3.593 4.329 1.00 0.00 C ATOM 1594 CG GLU B 51 -16.234 5.033 4.480 1.00 0.00 C ATOM 1595 CD GLU B 51 -17.385 6.021 4.498 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -18.551 5.580 4.399 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -17.122 7.236 4.609 1.00 0.00 O ATOM 0 H GLU B 51 -15.032 3.551 2.499 1.00 0.00 H new ATOM 0 HA GLU B 51 -14.975 2.662 5.207 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -17.286 3.503 3.415 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.359 3.344 5.159 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -15.662 5.131 5.403 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -15.561 5.281 3.660 1.00 0.00 H new ATOM 1604 N ASP B 52 -16.025 0.415 5.269 1.00 0.00 N ATOM 1605 CA ASP B 52 -16.520 -0.956 5.290 1.00 0.00 C ATOM 1606 C ASP B 52 -18.016 -1.002 4.988 1.00 0.00 C ATOM 1607 O ASP B 52 -18.483 -1.868 4.249 1.00 0.00 O ATOM 1608 CB ASP B 52 -16.226 -1.612 6.644 1.00 0.00 C ATOM 1609 CG ASP B 52 -16.796 -0.833 7.816 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -18.037 -0.726 7.915 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -16.000 -0.330 8.636 1.00 0.00 O ATOM 0 H ASP B 52 -15.621 0.732 6.151 1.00 0.00 H new ATOM 0 HA ASP B 52 -16.000 -1.515 4.512 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -16.639 -2.621 6.650 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -15.147 -1.708 6.769 1.00 0.00 H new ATOM 1616 N GLY B 53 -18.760 -0.062 5.563 1.00 0.00 N ATOM 1617 CA GLY B 53 -20.195 -0.009 5.344 1.00 0.00 C ATOM 1618 C GLY B 53 -20.565 0.678 4.042 1.00 0.00 C ATOM 1619 O GLY B 53 -21.400 1.580 4.031 1.00 0.00 O ATOM 0 H GLY B 53 -18.394 0.665 6.178 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -20.595 -1.023 5.341 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -20.666 0.518 6.174 1.00 0.00 H new ATOM 1623 N ARG B 54 -19.944 0.251 2.945 1.00 0.00 N ATOM 1624 CA ARG B 54 -20.213 0.834 1.631 1.00 0.00 C ATOM 1625 C ARG B 54 -20.027 -0.201 0.524 1.00 0.00 C ATOM 1626 O ARG B 54 -19.031 -0.923 0.496 1.00 0.00 O ATOM 1627 CB ARG B 54 -19.286 2.028 1.378 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.529 3.217 2.299 1.00 0.00 C ATOM 1629 CD ARG B 54 -20.760 4.014 1.890 1.00 0.00 C ATOM 1630 NE ARG B 54 -21.990 3.231 1.978 1.00 0.00 N ATOM 1631 CZ ARG B 54 -23.193 3.714 1.682 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -23.326 4.972 1.285 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -24.265 2.938 1.783 1.00 0.00 N ATOM 0 H ARG B 54 -19.251 -0.497 2.939 1.00 0.00 H new ATOM 0 HA ARG B 54 -21.249 1.172 1.621 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -18.252 1.701 1.491 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -19.406 2.353 0.345 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.650 2.863 3.323 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -18.655 3.869 2.288 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -20.847 4.894 2.528 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -20.634 4.372 0.868 1.00 0.00 H new ATOM 0 HE ARG B 54 -21.922 2.260 2.283 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -22.505 5.571 1.206 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -24.250 5.340 1.058 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -24.167 1.970 2.088 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -25.187 3.310 1.556 1.00 0.00 H new ATOM 1647 N THR B 55 -20.994 -0.264 -0.387 1.00 0.00 N ATOM 1648 CA THR B 55 -20.943 -1.206 -1.501 1.00 0.00 C ATOM 1649 C THR B 55 -19.936 -0.760 -2.558 1.00 0.00 C ATOM 1650 O THR B 55 -19.632 0.427 -2.675 1.00 0.00 O ATOM 1651 CB THR B 55 -22.325 -1.373 -2.160 1.00 0.00 C ATOM 1652 OG1 THR B 55 -22.763 -0.123 -2.706 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.347 -1.874 -1.152 1.00 0.00 C ATOM 0 H THR B 55 -21.825 0.328 -0.375 1.00 0.00 H new ATOM 0 HA THR B 55 -20.628 -2.164 -1.088 1.00 0.00 H new ATOM 0 HB THR B 55 -22.234 -2.107 -2.960 1.00 0.00 H new ATOM 0 HG1 THR B 55 -23.642 -0.239 -3.124 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.315 -1.984 -1.640 1.00 0.00 H new ATOM 0 HG22 THR B 55 -23.027 -2.839 -0.758 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.432 -1.159 -0.334 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.423 -1.720 -3.324 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.449 -1.431 -4.374 1.00 0.00 C ATOM 1663 C LEU B 56 -18.964 -0.345 -5.316 1.00 0.00 C ATOM 1664 O LEU B 56 -18.213 0.537 -5.733 1.00 0.00 O ATOM 1665 CB LEU B 56 -18.141 -2.700 -5.176 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.493 -3.837 -4.381 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -17.382 -5.087 -5.240 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -16.119 -3.419 -3.876 1.00 0.00 C ATOM 0 H LEU B 56 -19.666 -2.707 -3.237 1.00 0.00 H new ATOM 0 HA LEU B 56 -17.537 -1.074 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -19.069 -3.068 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.482 -2.436 -6.003 1.00 0.00 H new ATOM 0 HG LEU B 56 -18.124 -4.060 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -16.919 -5.886 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -18.377 -5.399 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -16.770 -4.873 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.673 -4.239 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.480 -3.171 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -16.219 -2.547 -3.229 1.00 0.00 H new ATOM 1680 N SER B 57 -20.247 -0.424 -5.649 1.00 0.00 N ATOM 1681 CA SER B 57 -20.875 0.542 -6.547 1.00 0.00 C ATOM 1682 C SER B 57 -20.717 1.972 -6.035 1.00 0.00 C ATOM 1683 O SER B 57 -20.610 2.910 -6.826 1.00 0.00 O ATOM 1684 CB SER B 57 -22.360 0.212 -6.719 1.00 0.00 C ATOM 1685 OG SER B 57 -22.535 -1.086 -7.262 1.00 0.00 O ATOM 0 H SER B 57 -20.877 -1.151 -5.309 1.00 0.00 H new ATOM 0 HA SER B 57 -20.372 0.473 -7.512 1.00 0.00 H new ATOM 0 HB2 SER B 57 -22.864 0.277 -5.755 1.00 0.00 H new ATOM 0 HB3 SER B 57 -22.826 0.949 -7.373 1.00 0.00 H new ATOM 0 HG SER B 57 -23.492 -1.273 -7.360 1.00 0.00 H new ATOM 1691 N ASP B 58 -20.716 2.135 -4.714 1.00 0.00 N ATOM 1692 CA ASP B 58 -20.586 3.457 -4.104 1.00 0.00 C ATOM 1693 C ASP B 58 -19.379 4.213 -4.653 1.00 0.00 C ATOM 1694 O ASP B 58 -19.518 5.325 -5.165 1.00 0.00 O ATOM 1695 CB ASP B 58 -20.470 3.330 -2.583 1.00 0.00 C ATOM 1696 CG ASP B 58 -21.719 2.742 -1.954 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -22.691 2.484 -2.695 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -21.726 2.547 -0.721 1.00 0.00 O ATOM 0 H ASP B 58 -20.804 1.369 -4.046 1.00 0.00 H new ATOM 0 HA ASP B 58 -21.483 4.024 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -19.613 2.702 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -20.278 4.313 -2.153 1.00 0.00 H new ATOM 1703 N TYR B 59 -18.198 3.612 -4.547 1.00 0.00 N ATOM 1704 CA TYR B 59 -16.978 4.245 -5.041 1.00 0.00 C ATOM 1705 C TYR B 59 -16.777 3.960 -6.526 1.00 0.00 C ATOM 1706 O TYR B 59 -15.650 3.977 -7.021 1.00 0.00 O ATOM 1707 CB TYR B 59 -15.759 3.758 -4.252 1.00 0.00 C ATOM 1708 CG TYR B 59 -15.855 3.992 -2.761 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -16.677 3.203 -1.964 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -15.118 4.997 -2.148 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -16.761 3.412 -0.600 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -15.197 5.212 -0.785 1.00 0.00 C ATOM 1713 CZ TYR B 59 -16.021 4.418 -0.017 1.00 0.00 C ATOM 1714 OH TYR B 59 -16.105 4.630 1.340 1.00 0.00 O ATOM 0 H TYR B 59 -18.059 2.693 -4.126 1.00 0.00 H new ATOM 0 HA TYR B 59 -17.084 5.321 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -15.624 2.692 -4.434 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -14.869 4.261 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -17.259 2.414 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -14.472 5.622 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -17.403 2.790 0.006 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -14.616 5.998 -0.324 1.00 0.00 H new ATOM 0 HH TYR B 59 -16.109 5.593 1.521 1.00 0.00 H new ATOM 1724 N ASN B 60 -17.878 3.700 -7.232 1.00 0.00 N ATOM 1725 CA ASN B 60 -17.824 3.411 -8.662 1.00 0.00 C ATOM 1726 C ASN B 60 -16.749 2.370 -8.961 1.00 0.00 C ATOM 1727 O ASN B 60 -16.074 2.435 -9.988 1.00 0.00 O ATOM 1728 CB ASN B 60 -17.548 4.691 -9.453 1.00 0.00 C ATOM 1729 CG ASN B 60 -18.597 5.758 -9.212 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -19.780 5.553 -9.486 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -18.170 6.902 -8.695 1.00 0.00 N ATOM 0 H ASN B 60 -18.817 3.684 -6.835 1.00 0.00 H new ATOM 0 HA ASN B 60 -18.791 3.009 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -16.568 5.080 -9.178 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -17.510 4.456 -10.517 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -18.831 7.656 -8.509 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -17.180 7.028 -8.483 1.00 0.00 H new ATOM 1738 N ILE B 61 -16.590 1.416 -8.049 1.00 0.00 N ATOM 1739 CA ILE B 61 -15.591 0.366 -8.203 1.00 0.00 C ATOM 1740 C ILE B 61 -15.954 -0.588 -9.337 1.00 0.00 C ATOM 1741 O ILE B 61 -17.070 -1.103 -9.399 1.00 0.00 O ATOM 1742 CB ILE B 61 -15.416 -0.439 -6.899 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -14.964 0.486 -5.764 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -14.415 -1.570 -7.102 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -14.826 -0.211 -4.425 1.00 0.00 C ATOM 0 H ILE B 61 -17.142 1.349 -7.194 1.00 0.00 H new ATOM 0 HA ILE B 61 -14.651 0.862 -8.444 1.00 0.00 H new ATOM 0 HB ILE B 61 -16.376 -0.878 -6.627 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -14.006 0.932 -6.031 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -15.680 1.302 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -14.303 -2.128 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -14.774 -2.238 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -13.451 -1.154 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.503 0.508 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.788 -0.634 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -14.088 -1.009 -4.505 1.00 0.00 H new ATOM 1757 N GLN B 62 -14.995 -0.822 -10.224 1.00 0.00 N ATOM 1758 CA GLN B 62 -15.193 -1.720 -11.355 1.00 0.00 C ATOM 1759 C GLN B 62 -14.414 -3.014 -11.149 1.00 0.00 C ATOM 1760 O GLN B 62 -13.426 -3.038 -10.413 1.00 0.00 O ATOM 1761 CB GLN B 62 -14.755 -1.048 -12.657 1.00 0.00 C ATOM 1762 CG GLN B 62 -15.490 0.250 -12.950 1.00 0.00 C ATOM 1763 CD GLN B 62 -16.992 0.065 -13.035 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -17.492 -0.667 -13.888 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -17.720 0.730 -12.146 1.00 0.00 N ATOM 0 H GLN B 62 -14.067 -0.400 -10.181 1.00 0.00 H new ATOM 0 HA GLN B 62 -16.255 -1.955 -11.423 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -13.685 -0.847 -12.610 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -14.913 -1.740 -13.484 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -15.261 0.976 -12.170 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -15.125 0.665 -13.890 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -17.263 1.326 -11.456 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -18.736 0.645 -12.153 1.00 0.00 H new ATOM 1774 N LYS B 63 -14.862 -4.086 -11.800 1.00 0.00 N ATOM 1775 CA LYS B 63 -14.199 -5.380 -11.685 1.00 0.00 C ATOM 1776 C LYS B 63 -12.694 -5.232 -11.898 1.00 0.00 C ATOM 1777 O LYS B 63 -12.251 -4.363 -12.650 1.00 0.00 O ATOM 1778 CB LYS B 63 -14.772 -6.371 -12.700 1.00 0.00 C ATOM 1779 CG LYS B 63 -14.571 -5.946 -14.147 1.00 0.00 C ATOM 1780 CD LYS B 63 -15.075 -7.002 -15.120 1.00 0.00 C ATOM 1781 CE LYS B 63 -16.573 -7.222 -14.985 1.00 0.00 C ATOM 1782 NZ LYS B 63 -17.064 -8.270 -15.921 1.00 0.00 N ATOM 0 H LYS B 63 -15.679 -4.083 -12.410 1.00 0.00 H new ATOM 0 HA LYS B 63 -14.377 -5.763 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.306 -7.344 -12.548 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.838 -6.496 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -15.094 -5.007 -14.326 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -13.512 -5.760 -14.328 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -14.843 -6.697 -16.140 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -14.552 -7.941 -14.941 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -16.807 -7.511 -13.960 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -17.097 -6.286 -15.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -18.090 -8.391 -15.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -16.863 -7.983 -16.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -16.583 -9.169 -15.719 1.00 0.00 H new ATOM 1796 N GLU B 64 -11.918 -6.072 -11.218 1.00 0.00 N ATOM 1797 CA GLU B 64 -10.462 -6.029 -11.316 1.00 0.00 C ATOM 1798 C GLU B 64 -9.934 -4.713 -10.753 1.00 0.00 C ATOM 1799 O GLU B 64 -8.990 -4.128 -11.286 1.00 0.00 O ATOM 1800 CB GLU B 64 -10.011 -6.192 -12.772 1.00 0.00 C ATOM 1801 CG GLU B 64 -10.562 -7.434 -13.457 1.00 0.00 C ATOM 1802 CD GLU B 64 -10.083 -8.723 -12.819 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -10.386 -8.947 -11.629 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -9.404 -9.511 -13.512 1.00 0.00 O ATOM 0 H GLU B 64 -12.275 -6.793 -10.591 1.00 0.00 H new ATOM 0 HA GLU B 64 -10.056 -6.855 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -10.318 -5.312 -13.337 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -8.922 -6.226 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.651 -7.404 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -10.269 -7.424 -14.507 1.00 0.00 H new ATOM 1811 N SER B 65 -10.558 -4.251 -9.673 1.00 0.00 N ATOM 1812 CA SER B 65 -10.165 -3.001 -9.033 1.00 0.00 C ATOM 1813 C SER B 65 -8.813 -3.132 -8.342 1.00 0.00 C ATOM 1814 O SER B 65 -8.533 -4.135 -7.681 1.00 0.00 O ATOM 1815 CB SER B 65 -11.227 -2.567 -8.022 1.00 0.00 C ATOM 1816 OG SER B 65 -11.414 -3.553 -7.021 1.00 0.00 O ATOM 0 H SER B 65 -11.340 -4.726 -9.222 1.00 0.00 H new ATOM 0 HA SER B 65 -10.077 -2.242 -9.811 1.00 0.00 H new ATOM 0 HB2 SER B 65 -10.929 -1.626 -7.559 1.00 0.00 H new ATOM 0 HB3 SER B 65 -12.170 -2.384 -8.537 1.00 0.00 H new ATOM 0 HG SER B 65 -12.214 -4.081 -7.227 1.00 0.00 H new ATOM 1822 N THR B 66 -7.982 -2.105 -8.497 1.00 0.00 N ATOM 1823 CA THR B 66 -6.658 -2.082 -7.889 1.00 0.00 C ATOM 1824 C THR B 66 -6.724 -1.551 -6.458 1.00 0.00 C ATOM 1825 O THR B 66 -6.336 -0.413 -6.188 1.00 0.00 O ATOM 1826 CB THR B 66 -5.677 -1.221 -8.709 1.00 0.00 C ATOM 1827 OG1 THR B 66 -5.644 -1.676 -10.067 1.00 0.00 O ATOM 1828 CG2 THR B 66 -4.273 -1.284 -8.122 1.00 0.00 C ATOM 0 H THR B 66 -8.206 -1.273 -9.043 1.00 0.00 H new ATOM 0 HA THR B 66 -6.294 -3.109 -7.874 1.00 0.00 H new ATOM 0 HB THR B 66 -6.024 -0.188 -8.675 1.00 0.00 H new ATOM 0 HG1 THR B 66 -5.020 -1.123 -10.582 1.00 0.00 H new ATOM 0 HG21 THR B 66 -3.601 -0.668 -8.719 1.00 0.00 H new ATOM 0 HG22 THR B 66 -4.290 -0.913 -7.097 1.00 0.00 H new ATOM 0 HG23 THR B 66 -3.922 -2.316 -8.129 1.00 0.00 H new ATOM 1836 N LEU B 67 -7.222 -2.377 -5.545 1.00 0.00 N ATOM 1837 CA LEU B 67 -7.341 -1.985 -4.143 1.00 0.00 C ATOM 1838 C LEU B 67 -6.034 -2.242 -3.402 1.00 0.00 C ATOM 1839 O LEU B 67 -5.486 -3.343 -3.456 1.00 0.00 O ATOM 1840 CB LEU B 67 -8.479 -2.759 -3.473 1.00 0.00 C ATOM 1841 CG LEU B 67 -9.875 -2.482 -4.039 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -10.902 -3.403 -3.397 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -10.258 -1.028 -3.821 1.00 0.00 C ATOM 0 H LEU B 67 -7.550 -3.321 -5.749 1.00 0.00 H new ATOM 0 HA LEU B 67 -7.562 -0.918 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.273 -3.826 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -8.482 -2.522 -2.409 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.857 -2.678 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -11.888 -3.193 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -10.637 -4.441 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.917 -3.236 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.253 -0.849 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -10.259 -0.808 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -9.538 -0.383 -4.324 1.00 0.00 H new ATOM 1855 N HIS B 68 -5.532 -1.219 -2.717 1.00 0.00 N ATOM 1856 CA HIS B 68 -4.281 -1.343 -1.977 1.00 0.00 C ATOM 1857 C HIS B 68 -4.522 -1.688 -0.511 1.00 0.00 C ATOM 1858 O HIS B 68 -5.311 -1.037 0.172 1.00 0.00 O ATOM 1859 CB HIS B 68 -3.472 -0.050 -2.072 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.906 0.220 -3.433 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -2.122 1.319 -3.714 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -3.006 -0.473 -4.592 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -1.765 1.288 -4.986 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -2.288 0.212 -5.539 1.00 0.00 N ATOM 0 H HIS B 68 -5.970 -0.300 -2.659 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.718 -2.159 -2.430 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -4.109 0.786 -1.783 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -2.654 -0.092 -1.352 1.00 0.00 H new ATOM 0 HD1 HIS B 68 -1.859 2.043 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.550 -1.394 -4.743 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -1.149 2.020 -5.487 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.812 -2.704 -0.033 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.915 -3.130 1.356 1.00 0.00 C ATOM 1875 C LEU B 69 -2.735 -2.585 2.153 1.00 0.00 C ATOM 1876 O LEU B 69 -1.593 -2.629 1.692 1.00 0.00 O ATOM 1877 CB LEU B 69 -3.961 -4.659 1.448 1.00 0.00 C ATOM 1878 CG LEU B 69 -4.035 -5.226 2.870 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -5.289 -4.736 3.578 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -3.998 -6.747 2.842 1.00 0.00 C ATOM 0 H LEU B 69 -3.156 -3.250 -0.591 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.840 -2.735 1.777 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -4.825 -5.015 0.887 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -3.075 -5.063 0.959 1.00 0.00 H new ATOM 0 HG LEU B 69 -3.167 -4.871 3.425 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -5.323 -5.150 4.586 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.274 -3.647 3.633 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -6.170 -5.059 3.023 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -4.051 -7.131 3.861 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -4.846 -7.121 2.268 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -3.070 -7.080 2.377 1.00 0.00 H new ATOM 1892 N VAL B 70 -3.011 -2.062 3.343 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.963 -1.501 4.188 1.00 0.00 C ATOM 1894 C VAL B 70 -2.195 -1.849 5.655 1.00 0.00 C ATOM 1895 O VAL B 70 -3.275 -1.619 6.199 1.00 0.00 O ATOM 1896 CB VAL B 70 -1.882 0.033 4.035 1.00 0.00 C ATOM 1897 CG1 VAL B 70 -0.838 0.615 4.975 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -1.577 0.413 2.591 1.00 0.00 C ATOM 0 H VAL B 70 -3.948 -2.015 3.743 1.00 0.00 H new ATOM 0 HA VAL B 70 -1.020 -1.940 3.862 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.851 0.453 4.303 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.798 1.697 4.850 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -1.104 0.378 6.005 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.138 0.187 4.745 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.524 1.498 2.504 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.623 -0.022 2.294 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.366 0.035 1.941 1.00 0.00 H new ATOM 1908 N LEU B 71 -1.167 -2.411 6.287 1.00 0.00 N ATOM 1909 CA LEU B 71 -1.242 -2.803 7.691 1.00 0.00 C ATOM 1910 C LEU B 71 -1.069 -1.601 8.612 1.00 0.00 C ATOM 1911 O LEU B 71 -0.308 -0.680 8.313 1.00 0.00 O ATOM 1912 CB LEU B 71 -0.177 -3.855 8.004 1.00 0.00 C ATOM 1913 CG LEU B 71 -0.255 -5.128 7.159 1.00 0.00 C ATOM 1914 CD1 LEU B 71 0.890 -6.069 7.502 1.00 0.00 C ATOM 1915 CD2 LEU B 71 -1.595 -5.825 7.358 1.00 0.00 C ATOM 0 H LEU B 71 -0.268 -2.606 5.846 1.00 0.00 H new ATOM 0 HA LEU B 71 -2.231 -3.227 7.867 1.00 0.00 H new ATOM 0 HB2 LEU B 71 0.807 -3.406 7.867 1.00 0.00 H new ATOM 0 HB3 LEU B 71 -0.258 -4.130 9.056 1.00 0.00 H new ATOM 0 HG LEU B 71 -0.167 -4.846 6.110 1.00 0.00 H new ATOM 0 HD11 LEU B 71 0.817 -6.969 6.891 1.00 0.00 H new ATOM 0 HD12 LEU B 71 1.840 -5.573 7.305 1.00 0.00 H new ATOM 0 HD13 LEU B 71 0.834 -6.341 8.556 1.00 0.00 H new ATOM 0 HD21 LEU B 71 -1.630 -6.728 6.748 1.00 0.00 H new ATOM 0 HD22 LEU B 71 -1.714 -6.092 8.408 1.00 0.00 H new ATOM 0 HD23 LEU B 71 -2.401 -5.155 7.060 1.00 0.00 H new ATOM 1927 N ARG B 72 -1.781 -1.619 9.734 1.00 0.00 N ATOM 1928 CA ARG B 72 -1.711 -0.533 10.707 1.00 0.00 C ATOM 1929 C ARG B 72 -0.295 -0.399 11.263 1.00 0.00 C ATOM 1930 O ARG B 72 0.545 -1.277 11.067 1.00 0.00 O ATOM 1931 CB ARG B 72 -2.700 -0.771 11.850 1.00 0.00 C ATOM 1932 CG ARG B 72 -2.909 0.446 12.737 1.00 0.00 C ATOM 1933 CD ARG B 72 -3.871 0.148 13.877 1.00 0.00 C ATOM 1934 NE ARG B 72 -3.369 -0.906 14.755 1.00 0.00 N ATOM 1935 CZ ARG B 72 -4.010 -1.333 15.839 1.00 0.00 C ATOM 1936 NH1 ARG B 72 -5.176 -0.798 16.179 1.00 0.00 N ATOM 1937 NH2 ARG B 72 -3.485 -2.296 16.584 1.00 0.00 N ATOM 0 H ARG B 72 -2.415 -2.375 9.993 1.00 0.00 H new ATOM 0 HA ARG B 72 -1.977 0.394 10.199 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -3.660 -1.074 11.432 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -2.343 -1.599 12.462 1.00 0.00 H new ATOM 0 HG2 ARG B 72 -1.951 0.770 13.144 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -3.297 1.271 12.139 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -4.037 1.055 14.458 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -4.837 -0.150 13.468 1.00 0.00 H new ATOM 0 HE ARG B 72 -2.475 -1.339 14.523 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -5.583 -0.057 15.608 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -5.665 -1.128 17.011 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -2.589 -2.710 16.326 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -3.977 -2.623 17.415 1.00 0.00 H new