USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 15 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=0) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 SER OG : rot 180:sc= 0.458 USER MOD Set 2.2: A 4 ASN :FLIP amide:sc= -4.4! C(o=-5.8!,f=-3.9!) USER MOD Single : A 1 SER N :NH3+ 163:sc= -3.61! (180deg=-4.55!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-2.3) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.83 USER MOD Single : A 25 THR OG1 : rot 55:sc= 1.26 USER MOD Single : A 26 SER OG : rot -58:sc=0.000185 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0211 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -31:sc= 0.0471! USER MOD Single : A 98 CYS SG : rot 180:sc= -2.44 USER MOD Single : A 99 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.6) USER MOD Single : A 108 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.61) USER MOD Single : A 109 ASN : amide:sc= 1.1 K(o=1.1,f=-0.23) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc=-0.00827 USER MOD Single : A 118 MET CE :methyl -168:sc= -0.171 (180deg=-0.343) USER MOD Single : A 120 SER OG : rot 180:sc=-0.00878 USER MOD Single : A 123 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -75:sc= 0.539 USER MOD Single : A 133 GLN :FLIP amide:sc= 1.81 F(o=-0.25,f=1.8) USER MOD Single : A 137 GLN : amide:sc= -0.594 K(o=-0.59,f=-3.3!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.896 13.998 -4.312 1.00 0.00 N ATOM 2 CA SER A 1 -2.712 12.526 -4.219 1.00 0.00 C ATOM 3 C SER A 1 -1.234 12.149 -4.286 1.00 0.00 C ATOM 4 O SER A 1 -0.698 11.886 -5.363 1.00 0.00 O ATOM 5 CB SER A 1 -3.477 11.867 -5.369 1.00 0.00 C ATOM 6 OG SER A 1 -4.029 10.625 -4.969 1.00 0.00 O ATOM 0 H1 SER A 1 -3.885 14.210 -4.552 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.660 14.436 -3.399 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.271 14.380 -5.050 1.00 0.00 H new ATOM 0 HA SER A 1 -3.097 12.177 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.273 12.530 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.807 11.715 -6.215 1.00 0.00 H new ATOM 0 HG SER A 1 -4.514 10.225 -5.721 1.00 0.00 H new ATOM 14 N ILE A 2 -0.583 12.128 -3.129 1.00 0.00 N ATOM 15 CA ILE A 2 0.832 11.783 -3.054 1.00 0.00 C ATOM 16 C ILE A 2 1.029 10.274 -2.974 1.00 0.00 C ATOM 17 O ILE A 2 2.010 9.737 -3.488 1.00 0.00 O ATOM 18 CB ILE A 2 1.507 12.442 -1.836 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.158 13.930 -1.773 1.00 0.00 C ATOM 20 CG2 ILE A 2 3.015 12.247 -1.894 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.732 14.633 -0.563 1.00 0.00 C ATOM 0 H ILE A 2 -1.012 12.346 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 2 1.296 12.158 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 2 1.134 11.963 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.524 14.420 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.074 14.041 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.476 12.719 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.244 11.181 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.406 12.701 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.445 15.684 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.346 14.169 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.819 14.553 -0.577 1.00 0.00 H new ATOM 33 N LYS A 3 0.088 9.594 -2.326 1.00 0.00 N ATOM 34 CA LYS A 3 0.159 8.145 -2.178 1.00 0.00 C ATOM 35 C LYS A 3 -1.213 7.562 -1.857 1.00 0.00 C ATOM 36 O LYS A 3 -1.989 8.151 -1.103 1.00 0.00 O ATOM 37 CB LYS A 3 1.156 7.770 -1.080 1.00 0.00 C ATOM 38 CG LYS A 3 1.960 6.518 -1.390 1.00 0.00 C ATOM 39 CD LYS A 3 3.364 6.600 -0.812 1.00 0.00 C ATOM 40 CE LYS A 3 4.191 5.379 -1.183 1.00 0.00 C ATOM 41 NZ LYS A 3 4.685 5.451 -2.586 1.00 0.00 N ATOM 0 H LYS A 3 -0.731 10.023 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 3 0.499 7.726 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.842 8.603 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.616 7.622 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.448 5.646 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.017 6.379 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.858 7.500 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.308 6.687 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.039 5.294 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.589 4.480 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.244 4.601 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.876 5.507 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.281 6.296 -2.701 1.00 0.00 H new ATOM 55 N ASN A 4 -1.507 6.402 -2.431 1.00 0.00 N ATOM 56 CA ASN A 4 -2.784 5.735 -2.207 1.00 0.00 C ATOM 57 C ASN A 4 -2.590 4.230 -2.056 1.00 0.00 C ATOM 58 O ASN A 4 -1.889 3.603 -2.848 1.00 0.00 O ATOM 59 CB ASN A 4 -3.744 6.023 -3.363 1.00 0.00 C ATOM 60 CG ASN A 4 -3.757 7.487 -3.757 1.00 0.00 C ATOM 61 OD1 ASN A 4 -4.666 8.252 -3.164 1.00 0.00 O flip ATOM 62 ND2 ASN A 4 -2.959 7.926 -4.586 1.00 0.00 N flip ATOM 0 H ASN A 4 -0.876 5.902 -3.057 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.212 6.124 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.460 5.421 -4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.751 5.718 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.277 7.302 -5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.980 8.913 -4.841 1.00 0.00 H new ATOM 69 N GLY A 5 -3.214 3.657 -1.032 1.00 0.00 N ATOM 70 CA GLY A 5 -3.092 2.228 -0.800 1.00 0.00 C ATOM 71 C GLY A 5 -4.057 1.724 0.255 1.00 0.00 C ATOM 72 O GLY A 5 -4.777 2.507 0.875 1.00 0.00 O ATOM 0 H GLY A 5 -3.800 4.153 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.270 1.696 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.072 1.999 -0.493 1.00 0.00 H new ATOM 76 N ILE A 6 -4.070 0.409 0.458 1.00 0.00 N ATOM 77 CA ILE A 6 -4.953 -0.204 1.444 1.00 0.00 C ATOM 78 C ILE A 6 -4.250 -0.361 2.788 1.00 0.00 C ATOM 79 O ILE A 6 -3.844 -1.462 3.162 1.00 0.00 O ATOM 80 CB ILE A 6 -5.451 -1.583 0.972 1.00 0.00 C ATOM 81 CG1 ILE A 6 -5.985 -1.497 -0.458 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.522 -2.112 1.916 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.228 -0.644 -0.589 1.00 0.00 C ATOM 0 H ILE A 6 -3.479 -0.251 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.808 0.461 1.560 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.612 -2.278 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.206 -1.092 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.205 -2.503 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.864 -3.087 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.107 -2.209 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.363 -1.419 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.550 -0.628 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.022 -1.061 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.008 0.372 -0.262 1.00 0.00 H new ATOM 95 N LEU A 7 -4.110 0.745 3.512 1.00 0.00 N ATOM 96 CA LEU A 7 -3.458 0.726 4.816 1.00 0.00 C ATOM 97 C LEU A 7 -4.410 0.207 5.888 1.00 0.00 C ATOM 98 O LEU A 7 -5.557 0.646 5.981 1.00 0.00 O ATOM 99 CB LEU A 7 -2.964 2.127 5.184 1.00 0.00 C ATOM 100 CG LEU A 7 -1.519 2.430 4.782 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.550 1.600 5.609 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.315 2.170 3.297 1.00 0.00 C ATOM 0 H LEU A 7 -4.439 1.665 3.218 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.602 0.054 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.618 2.861 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.061 2.258 6.262 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.320 3.484 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.473 1.829 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.680 1.835 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.747 0.541 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.282 2.390 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.532 1.125 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.984 2.808 2.721 1.00 0.00 H new ATOM 114 N TYR A 8 -3.929 -0.737 6.694 1.00 0.00 N ATOM 115 CA TYR A 8 -4.739 -1.321 7.757 1.00 0.00 C ATOM 116 C TYR A 8 -4.751 -0.429 8.993 1.00 0.00 C ATOM 117 O TYR A 8 -3.831 0.357 9.216 1.00 0.00 O ATOM 118 CB TYR A 8 -4.211 -2.710 8.121 1.00 0.00 C ATOM 119 CG TYR A 8 -4.474 -3.756 7.061 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.716 -3.800 5.897 1.00 0.00 C ATOM 121 CD2 TYR A 8 -5.481 -4.700 7.224 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.953 -4.753 4.927 1.00 0.00 C ATOM 123 CE2 TYR A 8 -5.723 -5.656 6.257 1.00 0.00 C ATOM 124 CZ TYR A 8 -4.957 -5.679 5.111 1.00 0.00 C ATOM 125 OH TYR A 8 -5.197 -6.631 4.146 1.00 0.00 O ATOM 0 H TYR A 8 -2.983 -1.113 6.630 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.762 -1.410 7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.137 -2.646 8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.670 -3.030 9.057 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.928 -3.076 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.083 -4.686 8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.355 -4.773 4.028 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.509 -6.383 6.398 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.937 -7.207 4.431 1.00 0.00 H new ATOM 135 N LEU A 9 -5.801 -0.561 9.797 1.00 0.00 N ATOM 136 CA LEU A 9 -5.940 0.225 11.016 1.00 0.00 C ATOM 137 C LEU A 9 -6.535 -0.620 12.138 1.00 0.00 C ATOM 138 O LEU A 9 -7.080 -1.697 11.892 1.00 0.00 O ATOM 139 CB LEU A 9 -6.818 1.454 10.760 1.00 0.00 C ATOM 140 CG LEU A 9 -6.073 2.790 10.743 1.00 0.00 C ATOM 141 CD1 LEU A 9 -5.192 2.896 9.508 1.00 0.00 C ATOM 142 CD2 LEU A 9 -7.058 3.949 10.798 1.00 0.00 C ATOM 0 H LEU A 9 -6.571 -1.208 9.625 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.948 0.558 11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.325 1.326 9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.591 1.496 11.528 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.434 2.839 11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.671 3.853 9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.463 2.086 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.810 2.825 8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.511 4.892 10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.723 3.903 9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.646 3.883 11.713 1.00 0.00 H new ATOM 154 N GLU A 10 -6.427 -0.129 13.368 1.00 0.00 N ATOM 155 CA GLU A 10 -6.954 -0.848 14.523 1.00 0.00 C ATOM 156 C GLU A 10 -8.145 -0.114 15.130 1.00 0.00 C ATOM 157 O GLU A 10 -7.997 0.965 15.705 1.00 0.00 O ATOM 158 CB GLU A 10 -5.862 -1.028 15.580 1.00 0.00 C ATOM 159 CG GLU A 10 -4.723 -1.928 15.129 1.00 0.00 C ATOM 160 CD GLU A 10 -4.607 -3.188 15.962 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.294 -3.077 17.166 1.00 0.00 O ATOM 162 OE2 GLU A 10 -4.828 -4.287 15.411 1.00 0.00 O ATOM 0 H GLU A 10 -5.981 0.761 13.591 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.290 -1.828 14.183 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.459 -0.050 15.844 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.307 -1.444 16.484 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.873 -2.201 14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.785 -1.375 15.182 1.00 0.00 H new ATOM 169 N ASP A 11 -9.325 -0.712 15.007 1.00 0.00 N ATOM 170 CA ASP A 11 -10.543 -0.122 15.552 1.00 0.00 C ATOM 171 C ASP A 11 -10.717 -0.521 17.018 1.00 0.00 C ATOM 172 O ASP A 11 -10.935 -1.691 17.323 1.00 0.00 O ATOM 173 CB ASP A 11 -11.759 -0.568 14.739 1.00 0.00 C ATOM 174 CG ASP A 11 -12.192 0.476 13.728 1.00 0.00 C ATOM 175 OD1 ASP A 11 -12.595 1.581 14.149 1.00 0.00 O ATOM 176 OD2 ASP A 11 -12.128 0.189 12.514 1.00 0.00 O ATOM 0 H ASP A 11 -9.464 -1.605 14.535 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.459 0.963 15.491 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.525 -1.497 14.220 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.587 -0.780 15.415 1.00 0.00 H new ATOM 181 N PRO A 12 -10.617 0.446 17.948 1.00 0.00 N ATOM 182 CA PRO A 12 -10.758 0.178 19.386 1.00 0.00 C ATOM 183 C PRO A 12 -12.052 -0.553 19.736 1.00 0.00 C ATOM 184 O PRO A 12 -12.176 -1.119 20.823 1.00 0.00 O ATOM 185 CB PRO A 12 -10.750 1.574 20.013 1.00 0.00 C ATOM 186 CG PRO A 12 -10.020 2.426 19.036 1.00 0.00 C ATOM 187 CD PRO A 12 -10.350 1.872 17.678 1.00 0.00 C ATOM 0 HA PRO A 12 -9.965 -0.477 19.747 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.764 1.940 20.177 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.252 1.569 20.983 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.330 3.468 19.119 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.946 2.397 19.219 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.217 2.368 17.241 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.523 2.001 16.979 1.00 0.00 H new ATOM 195 N VAL A 13 -13.015 -0.542 18.820 1.00 0.00 N ATOM 196 CA VAL A 13 -14.291 -1.207 19.049 1.00 0.00 C ATOM 197 C VAL A 13 -14.103 -2.711 19.192 1.00 0.00 C ATOM 198 O VAL A 13 -14.743 -3.354 20.024 1.00 0.00 O ATOM 199 CB VAL A 13 -15.286 -0.933 17.906 1.00 0.00 C ATOM 200 CG1 VAL A 13 -16.666 -1.469 18.257 1.00 0.00 C ATOM 201 CG2 VAL A 13 -15.348 0.556 17.599 1.00 0.00 C ATOM 0 H VAL A 13 -12.936 -0.080 17.914 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.697 -0.800 19.975 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.937 -1.452 17.013 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.355 -1.266 17.437 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.607 -2.545 18.423 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.026 -0.981 19.163 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.056 0.731 16.789 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.672 1.098 18.488 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.360 0.907 17.300 1.00 0.00 H new ATOM 211 N ASN A 14 -13.218 -3.264 18.373 1.00 0.00 N ATOM 212 CA ASN A 14 -12.939 -4.697 18.401 1.00 0.00 C ATOM 213 C ASN A 14 -11.437 -4.977 18.519 1.00 0.00 C ATOM 214 O ASN A 14 -11.028 -6.127 18.677 1.00 0.00 O ATOM 215 CB ASN A 14 -13.494 -5.368 17.144 1.00 0.00 C ATOM 216 CG ASN A 14 -14.943 -5.782 17.301 1.00 0.00 C ATOM 217 OD1 ASN A 14 -15.240 -6.889 17.751 1.00 0.00 O ATOM 218 ND2 ASN A 14 -15.856 -4.893 16.929 1.00 0.00 N ATOM 0 H ASN A 14 -12.680 -2.743 17.680 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.430 -5.112 19.281 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.404 -4.684 16.300 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.892 -6.245 16.908 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.848 -5.116 17.011 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.566 -3.987 16.561 1.00 0.00 H new ATOM 225 N HIS A 15 -10.622 -3.928 18.438 1.00 0.00 N ATOM 226 CA HIS A 15 -9.174 -4.075 18.533 1.00 0.00 C ATOM 227 C HIS A 15 -8.659 -5.097 17.521 1.00 0.00 C ATOM 228 O HIS A 15 -8.119 -6.139 17.894 1.00 0.00 O ATOM 229 CB HIS A 15 -8.773 -4.491 19.950 1.00 0.00 C ATOM 230 CG HIS A 15 -7.340 -4.198 20.274 1.00 0.00 C ATOM 231 ND1 HIS A 15 -6.507 -5.108 20.891 1.00 0.00 N ATOM 232 CD2 HIS A 15 -6.591 -3.090 20.062 1.00 0.00 C ATOM 233 CE1 HIS A 15 -5.309 -4.571 21.045 1.00 0.00 C ATOM 234 NE2 HIS A 15 -5.334 -3.348 20.550 1.00 0.00 N ATOM 0 H HIS A 15 -10.941 -2.968 18.307 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.722 -3.110 18.305 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.412 -3.975 20.667 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.954 -5.559 20.072 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.921 -2.174 19.596 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.455 -5.052 21.499 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.547 -2.699 20.533 1.00 0.00 H new ATOM 243 N GLU A 16 -8.837 -4.794 16.239 1.00 0.00 N ATOM 244 CA GLU A 16 -8.393 -5.687 15.174 1.00 0.00 C ATOM 245 C GLU A 16 -7.981 -4.895 13.936 1.00 0.00 C ATOM 246 O GLU A 16 -8.360 -3.734 13.776 1.00 0.00 O ATOM 247 CB GLU A 16 -9.505 -6.677 14.819 1.00 0.00 C ATOM 248 CG GLU A 16 -9.106 -8.133 15.006 1.00 0.00 C ATOM 249 CD GLU A 16 -9.576 -9.018 13.869 1.00 0.00 C ATOM 250 OE1 GLU A 16 -10.721 -8.829 13.406 1.00 0.00 O ATOM 251 OE2 GLU A 16 -8.800 -9.898 13.443 1.00 0.00 O ATOM 0 H GLU A 16 -9.285 -3.938 15.912 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.524 -6.240 15.531 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.378 -6.466 15.436 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.802 -6.521 13.782 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.021 -8.201 15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.521 -8.502 15.944 1.00 0.00 H new ATOM 258 N TRP A 17 -7.206 -5.530 13.064 1.00 0.00 N ATOM 259 CA TRP A 17 -6.744 -4.885 11.840 1.00 0.00 C ATOM 260 C TRP A 17 -7.823 -4.924 10.763 1.00 0.00 C ATOM 261 O TRP A 17 -8.481 -5.946 10.567 1.00 0.00 O ATOM 262 CB TRP A 17 -5.472 -5.565 11.327 1.00 0.00 C ATOM 263 CG TRP A 17 -4.389 -5.654 12.357 1.00 0.00 C ATOM 264 CD1 TRP A 17 -4.034 -6.758 13.078 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.520 -4.599 12.784 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.998 -6.454 13.927 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.664 -5.134 13.765 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.382 -3.253 12.432 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.685 -4.371 14.396 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.410 -2.498 13.059 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.573 -3.057 14.031 1.00 0.00 C ATOM 0 H TRP A 17 -6.884 -6.491 13.182 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.523 -3.843 12.071 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.719 -6.569 10.983 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -5.098 -5.015 10.463 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.500 -7.729 12.993 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.550 -7.104 14.573 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.024 -2.812 11.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.038 -4.801 15.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.294 -1.457 12.794 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.823 -2.439 14.503 1.00 0.00 H new ATOM 282 N TYR A 18 -7.997 -3.806 10.067 1.00 0.00 N ATOM 283 CA TYR A 18 -8.997 -3.712 9.008 1.00 0.00 C ATOM 284 C TYR A 18 -8.429 -2.983 7.791 1.00 0.00 C ATOM 285 O TYR A 18 -7.868 -1.895 7.919 1.00 0.00 O ATOM 286 CB TYR A 18 -10.242 -2.985 9.517 1.00 0.00 C ATOM 287 CG TYR A 18 -10.992 -3.743 10.589 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.483 -5.021 10.348 1.00 0.00 C ATOM 289 CD2 TYR A 18 -11.208 -3.183 11.841 1.00 0.00 C ATOM 290 CE1 TYR A 18 -12.170 -5.717 11.325 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.892 -3.872 12.823 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.371 -5.139 12.560 1.00 0.00 C ATOM 293 OH TYR A 18 -13.054 -5.830 13.537 1.00 0.00 O ATOM 0 H TYR A 18 -7.459 -2.952 10.216 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.273 -4.723 8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.948 -2.012 9.910 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.913 -2.800 8.678 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.325 -5.477 9.382 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.835 -2.191 12.050 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.547 -6.708 11.122 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.051 -3.422 13.792 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.725 -5.559 14.420 1.00 0.00 H new ATOM 303 N PRO A 19 -8.564 -3.572 6.588 1.00 0.00 N ATOM 304 CA PRO A 19 -8.058 -2.966 5.354 1.00 0.00 C ATOM 305 C PRO A 19 -8.887 -1.762 4.920 1.00 0.00 C ATOM 306 O PRO A 19 -10.115 -1.781 4.998 1.00 0.00 O ATOM 307 CB PRO A 19 -8.177 -4.096 4.330 1.00 0.00 C ATOM 308 CG PRO A 19 -9.289 -4.947 4.836 1.00 0.00 C ATOM 309 CD PRO A 19 -9.218 -4.872 6.337 1.00 0.00 C ATOM 0 HA PRO A 19 -7.043 -2.585 5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.396 -3.708 3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.248 -4.661 4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.252 -4.588 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.181 -5.975 4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.209 -4.916 6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.641 -5.698 6.753 1.00 0.00 H new ATOM 317 N HIS A 20 -8.207 -0.716 4.460 1.00 0.00 N ATOM 318 CA HIS A 20 -8.881 0.497 4.014 1.00 0.00 C ATOM 319 C HIS A 20 -8.019 1.263 3.015 1.00 0.00 C ATOM 320 O HIS A 20 -6.842 1.518 3.264 1.00 0.00 O ATOM 321 CB HIS A 20 -9.215 1.391 5.208 1.00 0.00 C ATOM 322 CG HIS A 20 -10.147 0.752 6.191 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.479 0.520 5.924 1.00 0.00 N ATOM 324 CD2 HIS A 20 -9.933 0.294 7.448 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.044 -0.051 6.972 1.00 0.00 C ATOM 326 NE2 HIS A 20 -11.127 -0.200 7.910 1.00 0.00 N ATOM 0 H HIS A 20 -7.190 -0.685 4.387 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.807 0.205 3.519 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.291 1.662 5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.662 2.317 4.845 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.955 0.753 5.052 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.997 0.314 7.986 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.080 -0.346 7.049 1.00 0.00 H new ATOM 335 N TYR A 21 -8.615 1.629 1.885 1.00 0.00 N ATOM 336 CA TYR A 21 -7.903 2.367 0.849 1.00 0.00 C ATOM 337 C TYR A 21 -7.694 3.820 1.262 1.00 0.00 C ATOM 338 O TYR A 21 -8.536 4.677 0.993 1.00 0.00 O ATOM 339 CB TYR A 21 -8.673 2.305 -0.472 1.00 0.00 C ATOM 340 CG TYR A 21 -7.979 3.016 -1.611 1.00 0.00 C ATOM 341 CD1 TYR A 21 -6.640 2.773 -1.896 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.663 3.929 -2.405 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.003 3.421 -2.937 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.032 4.580 -3.448 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.703 4.323 -3.710 1.00 0.00 C ATOM 346 OH TYR A 21 -6.072 4.969 -4.747 1.00 0.00 O ATOM 0 H TYR A 21 -9.590 1.426 1.664 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.926 1.903 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.825 1.261 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.660 2.744 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.089 2.066 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.704 4.133 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.962 3.222 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.578 5.287 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.706 5.570 -5.192 1.00 0.00 H new ATOM 356 N PHE A 22 -6.569 4.091 1.915 1.00 0.00 N ATOM 357 CA PHE A 22 -6.252 5.441 2.363 1.00 0.00 C ATOM 358 C PHE A 22 -5.773 6.303 1.199 1.00 0.00 C ATOM 359 O PHE A 22 -5.080 5.824 0.302 1.00 0.00 O ATOM 360 CB PHE A 22 -5.184 5.402 3.458 1.00 0.00 C ATOM 361 CG PHE A 22 -5.747 5.329 4.848 1.00 0.00 C ATOM 362 CD1 PHE A 22 -6.552 4.266 5.228 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.472 6.321 5.774 1.00 0.00 C ATOM 364 CE1 PHE A 22 -7.070 4.196 6.507 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.988 6.256 7.054 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.788 5.193 7.421 1.00 0.00 C ATOM 0 H PHE A 22 -5.862 3.393 2.146 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.161 5.884 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.537 4.541 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.559 6.291 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.776 3.485 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.847 7.155 5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.695 3.363 6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.766 7.036 7.767 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.193 5.141 8.421 1.00 0.00 H new ATOM 376 N VAL A 23 -6.147 7.579 1.224 1.00 0.00 N ATOM 377 CA VAL A 23 -5.757 8.513 0.174 1.00 0.00 C ATOM 378 C VAL A 23 -4.978 9.689 0.753 1.00 0.00 C ATOM 379 O VAL A 23 -5.558 10.602 1.341 1.00 0.00 O ATOM 380 CB VAL A 23 -6.985 9.049 -0.585 1.00 0.00 C ATOM 381 CG1 VAL A 23 -6.555 9.876 -1.787 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.890 7.903 -1.012 1.00 0.00 C ATOM 0 H VAL A 23 -6.720 7.990 1.961 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.122 7.964 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.549 9.697 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.438 10.245 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.953 10.720 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.966 9.256 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.753 8.300 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.338 7.227 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.229 7.359 -0.130 1.00 0.00 H new ATOM 392 N LEU A 24 -3.659 9.660 0.584 1.00 0.00 N ATOM 393 CA LEU A 24 -2.800 10.723 1.092 1.00 0.00 C ATOM 394 C LEU A 24 -2.596 11.810 0.041 1.00 0.00 C ATOM 395 O LEU A 24 -1.955 11.583 -0.985 1.00 0.00 O ATOM 396 CB LEU A 24 -1.446 10.149 1.518 1.00 0.00 C ATOM 397 CG LEU A 24 -0.560 11.108 2.317 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.076 10.448 3.599 1.00 0.00 C ATOM 399 CD2 LEU A 24 0.620 11.573 1.477 1.00 0.00 C ATOM 0 H LEU A 24 -3.163 8.912 0.099 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.289 11.170 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.619 9.255 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.904 9.836 0.626 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.156 11.981 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.552 11.146 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.934 10.168 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.501 9.556 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.238 12.254 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.215 10.711 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.254 12.088 0.589 1.00 0.00 H new ATOM 411 N THR A 25 -3.146 12.991 0.306 1.00 0.00 N ATOM 412 CA THR A 25 -3.023 14.115 -0.615 1.00 0.00 C ATOM 413 C THR A 25 -2.051 15.157 -0.072 1.00 0.00 C ATOM 414 O THR A 25 -1.886 15.293 1.142 1.00 0.00 O ATOM 415 CB THR A 25 -4.392 14.753 -0.860 1.00 0.00 C ATOM 416 OG1 THR A 25 -5.256 14.526 0.239 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.082 14.232 -2.102 1.00 0.00 C ATOM 0 H THR A 25 -3.681 13.194 1.150 1.00 0.00 H new ATOM 0 HA THR A 25 -2.633 13.738 -1.560 1.00 0.00 H new ATOM 0 HB THR A 25 -4.194 15.817 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.833 14.852 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.047 14.726 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.463 14.438 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.233 13.156 -2.010 1.00 0.00 H new ATOM 425 N SER A 26 -1.416 15.893 -0.980 1.00 0.00 N ATOM 426 CA SER A 26 -0.457 16.929 -0.608 1.00 0.00 C ATOM 427 C SER A 26 -1.166 18.113 0.037 1.00 0.00 C ATOM 428 O SER A 26 -1.079 19.245 -0.441 1.00 0.00 O ATOM 429 CB SER A 26 0.328 17.391 -1.837 1.00 0.00 C ATOM 430 OG SER A 26 1.489 18.111 -1.460 1.00 0.00 O ATOM 0 H SER A 26 -1.550 15.790 -1.986 1.00 0.00 H new ATOM 0 HA SER A 26 0.239 16.507 0.117 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.611 16.527 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.306 18.019 -2.462 1.00 0.00 H new ATOM 0 HG SER A 26 1.232 18.882 -0.913 1.00 0.00 H new ATOM 436 N SER A 27 -1.868 17.836 1.126 1.00 0.00 N ATOM 437 CA SER A 27 -2.603 18.864 1.853 1.00 0.00 C ATOM 438 C SER A 27 -3.352 18.261 3.040 1.00 0.00 C ATOM 439 O SER A 27 -3.582 18.935 4.043 1.00 0.00 O ATOM 440 CB SER A 27 -3.589 19.575 0.925 1.00 0.00 C ATOM 441 OG SER A 27 -3.625 20.967 1.188 1.00 0.00 O ATOM 0 H SER A 27 -1.945 16.902 1.529 1.00 0.00 H new ATOM 0 HA SER A 27 -1.882 19.590 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.303 19.405 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.585 19.152 1.055 1.00 0.00 H new ATOM 0 HG SER A 27 -4.261 21.398 0.580 1.00 0.00 H new ATOM 447 N LYS A 28 -3.730 16.989 2.920 1.00 0.00 N ATOM 448 CA LYS A 28 -4.452 16.302 3.986 1.00 0.00 C ATOM 449 C LYS A 28 -4.608 14.819 3.668 1.00 0.00 C ATOM 450 O LYS A 28 -4.344 14.383 2.548 1.00 0.00 O ATOM 451 CB LYS A 28 -5.831 16.940 4.187 1.00 0.00 C ATOM 452 CG LYS A 28 -5.891 17.907 5.357 1.00 0.00 C ATOM 453 CD LYS A 28 -6.672 19.163 5.006 1.00 0.00 C ATOM 454 CE LYS A 28 -8.171 18.935 5.115 1.00 0.00 C ATOM 455 NZ LYS A 28 -8.931 20.216 5.129 1.00 0.00 N ATOM 0 H LYS A 28 -3.548 16.416 2.096 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.875 16.399 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.114 17.468 3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.568 16.151 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.356 17.416 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.879 18.179 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.377 19.974 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.423 19.476 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.507 18.324 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.387 18.375 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.949 20.015 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.630 20.789 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.746 20.739 4.250 1.00 0.00 H new ATOM 469 N ILE A 29 -5.042 14.048 4.661 1.00 0.00 N ATOM 470 CA ILE A 29 -5.236 12.613 4.488 1.00 0.00 C ATOM 471 C ILE A 29 -6.720 12.262 4.453 1.00 0.00 C ATOM 472 O ILE A 29 -7.479 12.653 5.339 1.00 0.00 O ATOM 473 CB ILE A 29 -4.558 11.811 5.615 1.00 0.00 C ATOM 474 CG1 ILE A 29 -3.139 12.329 5.860 1.00 0.00 C ATOM 475 CG2 ILE A 29 -4.535 10.329 5.271 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.395 11.570 6.937 1.00 0.00 C ATOM 0 H ILE A 29 -5.266 14.394 5.594 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.776 12.345 3.537 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.135 11.943 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.574 12.270 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.188 13.382 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.053 9.776 6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.556 9.969 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.980 10.179 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.397 11.992 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.938 11.650 7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.314 10.521 6.653 1.00 0.00 H new ATOM 488 N TYR A 30 -7.127 11.522 3.426 1.00 0.00 N ATOM 489 CA TYR A 30 -8.521 11.120 3.278 1.00 0.00 C ATOM 490 C TYR A 30 -8.646 9.600 3.228 1.00 0.00 C ATOM 491 O TYR A 30 -8.108 8.952 2.332 1.00 0.00 O ATOM 492 CB TYR A 30 -9.119 11.731 2.009 1.00 0.00 C ATOM 493 CG TYR A 30 -9.161 13.243 2.025 1.00 0.00 C ATOM 494 CD1 TYR A 30 -8.006 13.990 1.830 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.355 13.921 2.231 1.00 0.00 C ATOM 496 CE1 TYR A 30 -8.041 15.372 1.842 1.00 0.00 C ATOM 497 CE2 TYR A 30 -10.398 15.302 2.244 1.00 0.00 C ATOM 498 CZ TYR A 30 -9.238 16.023 2.049 1.00 0.00 C ATOM 499 OH TYR A 30 -9.276 17.399 2.060 1.00 0.00 O ATOM 0 H TYR A 30 -6.511 11.189 2.684 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.072 11.486 4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.537 11.401 1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.131 11.349 1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.066 13.483 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.265 13.360 2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.134 15.939 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.335 15.814 2.406 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.195 17.700 2.217 1.00 0.00 H new ATOM 509 N TYR A 31 -9.362 9.038 4.197 1.00 0.00 N ATOM 510 CA TYR A 31 -9.559 7.594 4.264 1.00 0.00 C ATOM 511 C TYR A 31 -11.045 7.246 4.274 1.00 0.00 C ATOM 512 O TYR A 31 -11.863 7.991 4.814 1.00 0.00 O ATOM 513 CB TYR A 31 -8.882 7.022 5.510 1.00 0.00 C ATOM 514 CG TYR A 31 -9.311 7.693 6.795 1.00 0.00 C ATOM 515 CD1 TYR A 31 -8.684 8.849 7.241 1.00 0.00 C ATOM 516 CD2 TYR A 31 -10.345 7.170 7.561 1.00 0.00 C ATOM 517 CE1 TYR A 31 -9.074 9.464 8.416 1.00 0.00 C ATOM 518 CE2 TYR A 31 -10.741 7.779 8.737 1.00 0.00 C ATOM 519 CZ TYR A 31 -10.102 8.926 9.159 1.00 0.00 C ATOM 520 OH TYR A 31 -10.493 9.536 10.329 1.00 0.00 O ATOM 0 H TYR A 31 -9.815 9.561 4.947 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.106 7.151 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.102 5.956 5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.802 7.119 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.879 9.274 6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.848 6.273 7.232 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.575 10.362 8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.546 7.359 9.322 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.231 9.031 10.731 1.00 0.00 H new ATOM 530 N SER A 32 -11.386 6.110 3.673 1.00 0.00 N ATOM 531 CA SER A 32 -12.774 5.664 3.614 1.00 0.00 C ATOM 532 C SER A 32 -12.856 4.185 3.254 1.00 0.00 C ATOM 533 O SER A 32 -11.979 3.652 2.575 1.00 0.00 O ATOM 534 CB SER A 32 -13.555 6.494 2.594 1.00 0.00 C ATOM 535 OG SER A 32 -13.267 7.875 2.731 1.00 0.00 O ATOM 0 H SER A 32 -10.721 5.482 3.221 1.00 0.00 H new ATOM 0 HA SER A 32 -13.216 5.803 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.304 6.166 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.624 6.327 2.727 1.00 0.00 H new ATOM 0 HG SER A 32 -13.069 8.076 3.669 1.00 0.00 H new ATOM 1396 N GLY A 91 -13.131 10.348 6.486 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.369 10.995 7.538 1.00 0.00 C ATOM 1398 C GLY A 91 -11.177 11.763 7.003 1.00 0.00 C ATOM 1399 O GLY A 91 -10.497 11.306 6.083 1.00 0.00 O ATOM 0 HA2 GLY A 91 -13.019 11.676 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.024 10.243 8.247 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.921 12.933 7.580 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.803 13.767 7.155 1.00 0.00 C ATOM 1405 C VAL A 92 -8.723 13.831 8.233 1.00 0.00 C ATOM 1406 O VAL A 92 -9.003 13.641 9.417 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.270 15.199 6.818 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -10.873 15.871 8.043 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.117 16.020 6.263 1.00 0.00 C ATOM 0 H VAL A 92 -11.473 13.325 8.343 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.386 13.309 6.258 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.043 15.136 6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.196 16.879 7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.730 15.294 8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.126 15.922 8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.465 17.026 6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.319 16.074 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.739 15.549 5.356 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.491 14.099 7.814 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.370 14.188 8.742 1.00 0.00 C ATOM 1421 C LEU A 93 -5.268 15.082 8.181 1.00 0.00 C ATOM 1422 O LEU A 93 -4.619 14.737 7.194 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.813 12.794 9.040 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.418 12.550 10.497 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -4.810 11.165 10.660 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.445 13.621 10.970 1.00 0.00 C ATOM 0 H LEU A 93 -7.243 14.258 6.837 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.734 14.630 9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.559 12.053 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.939 12.627 8.410 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.316 12.604 11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.535 11.009 11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.537 10.411 10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.922 11.082 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.174 13.433 12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.548 13.597 10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.915 14.601 10.890 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.063 16.230 8.817 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.041 17.175 8.381 1.00 0.00 C ATOM 1440 C ASP A 94 -2.656 16.536 8.406 1.00 0.00 C ATOM 1441 O ASP A 94 -2.236 15.982 9.422 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.056 18.419 9.271 1.00 0.00 C ATOM 1443 CG ASP A 94 -4.984 19.496 8.745 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -6.178 19.201 8.534 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -4.515 20.637 8.544 1.00 0.00 O ATOM 0 H ASP A 94 -5.591 16.529 9.637 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.267 17.465 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.364 18.138 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.045 18.820 9.347 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.951 16.618 7.282 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.613 16.050 7.176 1.00 0.00 C ATOM 1452 C VAL A 95 0.417 16.895 7.924 1.00 0.00 C ATOM 1453 O VAL A 95 1.216 16.362 8.694 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.175 15.902 5.706 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.168 15.188 5.614 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -1.236 15.162 4.903 1.00 0.00 C ATOM 0 H VAL A 95 -2.285 17.073 6.432 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.660 15.062 7.633 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.059 16.899 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.459 15.094 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.923 15.763 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.084 14.196 6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.909 15.067 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.388 14.170 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.173 15.718 4.938 1.00 0.00 H new ATOM 1466 N PRO A 96 0.423 18.228 7.715 1.00 0.00 N ATOM 1467 CA PRO A 96 1.375 19.120 8.386 1.00 0.00 C ATOM 1468 C PRO A 96 1.031 19.335 9.856 1.00 0.00 C ATOM 1469 O PRO A 96 0.833 20.466 10.302 1.00 0.00 O ATOM 1470 CB PRO A 96 1.243 20.428 7.606 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.149 20.412 7.079 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.486 18.970 6.816 1.00 0.00 C ATOM 0 HA PRO A 96 2.385 18.711 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.414 21.292 8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.972 20.483 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.842 20.848 7.799 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.225 21.002 6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.531 18.756 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.321 18.704 5.772 1.00 0.00 H new ATOM 1480 N ALA A 97 0.964 18.239 10.607 1.00 0.00 N ATOM 1481 CA ALA A 97 0.648 18.292 12.031 1.00 0.00 C ATOM 1482 C ALA A 97 0.445 16.889 12.589 1.00 0.00 C ATOM 1483 O ALA A 97 -0.455 16.652 13.396 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.594 19.141 12.273 1.00 0.00 C ATOM 0 H ALA A 97 1.126 17.297 10.250 1.00 0.00 H new ATOM 0 HA ALA A 97 1.489 18.752 12.549 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.814 19.169 13.340 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.418 20.154 11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.440 18.708 11.740 1.00 0.00 H new ATOM 1490 N CYS A 98 1.288 15.957 12.152 1.00 0.00 N ATOM 1491 CA CYS A 98 1.200 14.575 12.604 1.00 0.00 C ATOM 1492 C CYS A 98 2.518 13.842 12.373 1.00 0.00 C ATOM 1493 O CYS A 98 2.804 13.397 11.261 1.00 0.00 O ATOM 1494 CB CYS A 98 0.064 13.853 11.877 1.00 0.00 C ATOM 1495 SG CYS A 98 -1.157 13.099 12.978 1.00 0.00 S ATOM 0 H CYS A 98 2.039 16.136 11.485 1.00 0.00 H new ATOM 0 HA CYS A 98 0.992 14.579 13.674 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.442 14.562 11.222 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.490 13.078 11.239 1.00 0.00 H new ATOM 0 HG CYS A 98 -2.078 12.515 12.270 1.00 0.00 H new ATOM 1501 N GLN A 99 3.316 13.718 13.428 1.00 0.00 N ATOM 1502 CA GLN A 99 4.600 13.036 13.338 1.00 0.00 C ATOM 1503 C GLN A 99 4.413 11.524 13.382 1.00 0.00 C ATOM 1504 O GLN A 99 3.628 11.009 14.178 1.00 0.00 O ATOM 1505 CB GLN A 99 5.520 13.483 14.475 1.00 0.00 C ATOM 1506 CG GLN A 99 5.011 13.103 15.857 1.00 0.00 C ATOM 1507 CD GLN A 99 5.939 13.559 16.965 1.00 0.00 C ATOM 1508 OE1 GLN A 99 6.219 14.749 17.105 1.00 0.00 O ATOM 1509 NE2 GLN A 99 6.420 12.611 17.762 1.00 0.00 N ATOM 0 H GLN A 99 3.095 14.081 14.355 1.00 0.00 H new ATOM 0 HA GLN A 99 5.060 13.300 12.386 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.506 13.043 14.327 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.643 14.565 14.427 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.025 13.542 16.010 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.891 12.021 15.911 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.161 11.636 17.609 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.048 12.858 18.527 1.00 0.00 H new ATOM 1518 N ILE A 100 5.137 10.817 12.521 1.00 0.00 N ATOM 1519 CA ILE A 100 5.047 9.364 12.462 1.00 0.00 C ATOM 1520 C ILE A 100 6.009 8.715 13.451 1.00 0.00 C ATOM 1521 O ILE A 100 6.945 9.355 13.933 1.00 0.00 O ATOM 1522 CB ILE A 100 5.354 8.831 11.047 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.772 9.762 9.980 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.805 7.422 10.883 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.261 9.819 9.983 1.00 0.00 C ATOM 0 H ILE A 100 5.792 11.227 11.855 1.00 0.00 H new ATOM 0 HA ILE A 100 4.021 9.104 12.724 1.00 0.00 H new ATOM 0 HB ILE A 100 6.436 8.800 10.918 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.165 10.767 10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.113 9.433 8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.029 7.059 9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.267 6.764 11.619 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.725 7.433 11.032 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.921 10.498 9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.859 8.823 9.799 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.912 10.177 10.952 1.00 0.00 H new ATOM 1537 N ALA A 101 5.774 7.442 13.749 1.00 0.00 N ATOM 1538 CA ALA A 101 6.619 6.706 14.680 1.00 0.00 C ATOM 1539 C ALA A 101 6.659 5.225 14.327 1.00 0.00 C ATOM 1540 O ALA A 101 5.912 4.422 14.889 1.00 0.00 O ATOM 1541 CB ALA A 101 6.127 6.899 16.107 1.00 0.00 C ATOM 0 H ALA A 101 5.004 6.898 13.358 1.00 0.00 H new ATOM 0 HA ALA A 101 7.633 7.099 14.603 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.768 6.343 16.791 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.156 7.958 16.362 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.103 6.534 16.191 1.00 0.00 H new ATOM 1547 N ILE A 102 7.532 4.864 13.391 1.00 0.00 N ATOM 1548 CA ILE A 102 7.664 3.478 12.963 1.00 0.00 C ATOM 1549 C ILE A 102 8.027 2.571 14.134 1.00 0.00 C ATOM 1550 O ILE A 102 8.646 3.004 15.104 1.00 0.00 O ATOM 1551 CB ILE A 102 8.730 3.321 11.858 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.372 4.190 10.650 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.866 1.861 11.446 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.407 4.144 9.547 1.00 0.00 C ATOM 0 H ILE A 102 8.158 5.514 12.915 1.00 0.00 H new ATOM 0 HA ILE A 102 6.694 3.183 12.563 1.00 0.00 H new ATOM 0 HB ILE A 102 9.690 3.653 12.253 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.411 3.865 10.250 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.248 5.222 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.622 1.772 10.666 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.163 1.265 12.309 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.910 1.499 11.067 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.089 4.782 8.723 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.364 4.497 9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.515 3.119 9.192 1.00 0.00 H new ATOM 1566 N ARG A 103 7.638 1.308 14.023 1.00 0.00 N ATOM 1567 CA ARG A 103 7.919 0.323 15.057 1.00 0.00 C ATOM 1568 C ARG A 103 8.112 -1.056 14.433 1.00 0.00 C ATOM 1569 O ARG A 103 7.180 -1.615 13.857 1.00 0.00 O ATOM 1570 CB ARG A 103 6.778 0.280 16.076 1.00 0.00 C ATOM 1571 CG ARG A 103 6.903 1.326 17.175 1.00 0.00 C ATOM 1572 CD ARG A 103 5.575 2.017 17.446 1.00 0.00 C ATOM 1573 NE ARG A 103 5.264 2.061 18.873 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.818 1.019 19.568 1.00 0.00 C ATOM 1575 NH1 ARG A 103 4.631 -0.153 18.973 1.00 0.00 N ATOM 1576 NH2 ARG A 103 4.559 1.146 20.863 1.00 0.00 N ATOM 0 H ARG A 103 7.124 0.941 13.222 1.00 0.00 H new ATOM 0 HA ARG A 103 8.837 0.611 15.570 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.831 0.424 15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.745 -0.710 16.530 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.260 0.853 18.089 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.648 2.068 16.888 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.607 3.032 17.050 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.779 1.493 16.917 1.00 0.00 H new ATOM 0 HE ARG A 103 5.397 2.944 19.366 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.830 -0.257 17.978 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.289 -0.949 19.511 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.702 2.044 21.326 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.217 0.346 21.396 1.00 0.00 H new ATOM 1590 N PRO A 104 9.327 -1.627 14.529 1.00 0.00 N ATOM 1591 CA PRO A 104 9.622 -2.944 13.958 1.00 0.00 C ATOM 1592 C PRO A 104 9.099 -4.092 14.822 1.00 0.00 C ATOM 1593 O PRO A 104 9.787 -5.093 15.018 1.00 0.00 O ATOM 1594 CB PRO A 104 11.146 -2.963 13.914 1.00 0.00 C ATOM 1595 CG PRO A 104 11.565 -2.103 15.057 1.00 0.00 C ATOM 1596 CD PRO A 104 10.507 -1.037 15.190 1.00 0.00 C ATOM 0 HA PRO A 104 9.144 -3.086 12.989 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.533 -3.977 14.018 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.520 -2.574 12.967 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.647 -2.687 15.974 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.544 -1.660 14.873 1.00 0.00 H new ATOM 0 HD2 PRO A 104 10.305 -0.803 16.235 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.812 -0.108 14.708 1.00 0.00 H new ATOM 1604 N GLU A 105 7.881 -3.940 15.336 1.00 0.00 N ATOM 1605 CA GLU A 105 7.261 -4.959 16.179 1.00 0.00 C ATOM 1606 C GLU A 105 5.922 -4.462 16.718 1.00 0.00 C ATOM 1607 O GLU A 105 5.738 -4.319 17.926 1.00 0.00 O ATOM 1608 CB GLU A 105 8.192 -5.337 17.339 1.00 0.00 C ATOM 1609 CG GLU A 105 8.333 -6.838 17.538 1.00 0.00 C ATOM 1610 CD GLU A 105 7.437 -7.366 18.639 1.00 0.00 C ATOM 1611 OE1 GLU A 105 6.261 -6.950 18.699 1.00 0.00 O ATOM 1612 OE2 GLU A 105 7.910 -8.196 19.444 1.00 0.00 O ATOM 0 H GLU A 105 7.301 -3.115 15.182 1.00 0.00 H new ATOM 0 HA GLU A 105 7.085 -5.847 15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.178 -4.908 17.158 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.814 -4.890 18.259 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.095 -7.348 16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.371 -7.074 17.775 1.00 0.00 H new ATOM 1619 N GLY A 106 4.990 -4.194 15.808 1.00 0.00 N ATOM 1620 CA GLY A 106 3.679 -3.708 16.204 1.00 0.00 C ATOM 1621 C GLY A 106 3.009 -4.599 17.232 1.00 0.00 C ATOM 1622 O GLY A 106 3.223 -4.444 18.433 1.00 0.00 O ATOM 0 H GLY A 106 5.119 -4.305 14.802 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.777 -2.702 16.611 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.042 -3.635 15.323 1.00 0.00 H new ATOM 1626 N LYS A 107 2.192 -5.533 16.757 1.00 0.00 N ATOM 1627 CA LYS A 107 1.485 -6.449 17.643 1.00 0.00 C ATOM 1628 C LYS A 107 0.659 -7.452 16.844 1.00 0.00 C ATOM 1629 O LYS A 107 0.499 -7.314 15.631 1.00 0.00 O ATOM 1630 CB LYS A 107 0.577 -5.672 18.597 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.209 -4.560 17.920 1.00 0.00 C ATOM 1632 CD LYS A 107 -1.029 -3.767 18.925 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.007 -2.279 18.611 1.00 0.00 C ATOM 1634 NZ LYS A 107 -2.103 -1.549 19.307 1.00 0.00 N ATOM 0 H LYS A 107 2.004 -5.675 15.765 1.00 0.00 H new ATOM 0 HA LYS A 107 2.228 -6.996 18.223 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.121 -6.365 19.066 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.184 -5.243 19.394 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.478 -3.892 17.401 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.870 -4.987 17.166 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.058 -4.126 18.920 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.638 -3.934 19.928 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.046 -1.859 18.908 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.100 -2.134 17.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.054 -0.538 19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.022 -1.932 19.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.000 -1.666 20.335 1.00 0.00 H new ATOM 1648 N ASN A 108 0.135 -8.461 17.534 1.00 0.00 N ATOM 1649 CA ASN A 108 -0.678 -9.490 16.894 1.00 0.00 C ATOM 1650 C ASN A 108 0.147 -10.286 15.887 1.00 0.00 C ATOM 1651 O ASN A 108 0.601 -11.393 16.178 1.00 0.00 O ATOM 1652 CB ASN A 108 -1.890 -8.857 16.203 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.197 -9.236 16.871 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -3.370 -10.367 17.323 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -4.126 -8.288 16.936 1.00 0.00 N ATOM 0 H ASN A 108 0.259 -8.588 18.538 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.030 -10.175 17.666 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.783 -7.772 16.209 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.914 -9.169 15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.026 -8.485 17.374 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.939 -7.363 16.548 1.00 0.00 H new ATOM 1662 N ASN A 109 0.337 -9.716 14.703 1.00 0.00 N ATOM 1663 CA ASN A 109 1.107 -10.370 13.653 1.00 0.00 C ATOM 1664 C ASN A 109 1.600 -9.356 12.626 1.00 0.00 C ATOM 1665 O ASN A 109 1.733 -9.669 11.443 1.00 0.00 O ATOM 1666 CB ASN A 109 0.260 -11.445 12.966 1.00 0.00 C ATOM 1667 CG ASN A 109 0.858 -12.832 13.107 1.00 0.00 C ATOM 1668 OD1 ASN A 109 0.973 -13.573 12.131 1.00 0.00 O ATOM 1669 ND2 ASN A 109 1.243 -13.189 14.327 1.00 0.00 N ATOM 0 H ASN A 109 -0.033 -8.801 14.446 1.00 0.00 H new ATOM 0 HA ASN A 109 1.976 -10.842 14.113 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.743 -11.440 13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.158 -11.202 11.908 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.653 -14.110 14.483 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.129 -12.542 15.107 1.00 0.00 H new ATOM 1676 N ARG A 110 1.871 -8.139 13.086 1.00 0.00 N ATOM 1677 CA ARG A 110 2.350 -7.077 12.209 1.00 0.00 C ATOM 1678 C ARG A 110 3.721 -6.581 12.655 1.00 0.00 C ATOM 1679 O ARG A 110 3.825 -5.685 13.491 1.00 0.00 O ATOM 1680 CB ARG A 110 1.354 -5.915 12.189 1.00 0.00 C ATOM 1681 CG ARG A 110 -0.040 -6.315 11.738 1.00 0.00 C ATOM 1682 CD ARG A 110 -0.083 -6.602 10.246 1.00 0.00 C ATOM 1683 NE ARG A 110 0.150 -5.399 9.448 1.00 0.00 N ATOM 1684 CZ ARG A 110 0.137 -5.377 8.118 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -0.096 -6.488 7.430 1.00 0.00 N ATOM 1686 NH2 ARG A 110 0.358 -4.240 7.472 1.00 0.00 N ATOM 0 H ARG A 110 1.767 -7.864 14.063 1.00 0.00 H new ATOM 0 HA ARG A 110 2.441 -7.484 11.202 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.293 -5.483 13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.731 -5.136 11.527 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.362 -7.199 12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.743 -5.517 11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.669 -7.351 10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.053 -7.026 9.987 1.00 0.00 H new ATOM 0 HE ARG A 110 0.333 -4.525 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.267 -7.366 7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.105 -6.464 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.538 -3.383 7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.348 -4.223 6.452 1.00 0.00 H new ATOM 1700 N LEU A 111 4.771 -7.170 12.090 1.00 0.00 N ATOM 1701 CA LEU A 111 6.136 -6.789 12.430 1.00 0.00 C ATOM 1702 C LEU A 111 6.448 -5.382 11.929 1.00 0.00 C ATOM 1703 O LEU A 111 7.244 -4.662 12.532 1.00 0.00 O ATOM 1704 CB LEU A 111 7.131 -7.787 11.833 1.00 0.00 C ATOM 1705 CG LEU A 111 6.915 -9.244 12.249 1.00 0.00 C ATOM 1706 CD1 LEU A 111 6.153 -10.000 11.171 1.00 0.00 C ATOM 1707 CD2 LEU A 111 8.248 -9.921 12.538 1.00 0.00 C ATOM 0 H LEU A 111 4.702 -7.913 11.395 1.00 0.00 H new ATOM 0 HA LEU A 111 6.230 -6.799 13.516 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.078 -7.724 10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.139 -7.488 12.121 1.00 0.00 H new ATOM 0 HG LEU A 111 6.320 -9.256 13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.009 -11.034 11.484 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.182 -9.530 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.721 -9.979 10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.074 -10.956 12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.870 -9.898 11.643 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.756 -9.395 13.346 1.00 0.00 H new ATOM 1719 N PHE A 112 5.818 -4.998 10.824 1.00 0.00 N ATOM 1720 CA PHE A 112 6.030 -3.678 10.243 1.00 0.00 C ATOM 1721 C PHE A 112 4.835 -2.769 10.503 1.00 0.00 C ATOM 1722 O PHE A 112 3.871 -2.756 9.736 1.00 0.00 O ATOM 1723 CB PHE A 112 6.280 -3.796 8.738 1.00 0.00 C ATOM 1724 CG PHE A 112 7.356 -4.784 8.386 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.662 -4.581 8.801 1.00 0.00 C ATOM 1726 CD2 PHE A 112 7.060 -5.914 7.642 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.655 -5.487 8.479 1.00 0.00 C ATOM 1728 CE2 PHE A 112 8.048 -6.824 7.317 1.00 0.00 C ATOM 1729 CZ PHE A 112 9.347 -6.610 7.736 1.00 0.00 C ATOM 0 H PHE A 112 5.156 -5.582 10.313 1.00 0.00 H new ATOM 0 HA PHE A 112 6.907 -3.236 10.717 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.353 -4.089 8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.554 -2.817 8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.907 -3.705 9.383 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.046 -6.086 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.670 -5.317 8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.805 -7.701 6.736 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.121 -7.320 7.483 1.00 0.00 H new ATOM 1739 N VAL A 113 4.904 -2.009 11.591 1.00 0.00 N ATOM 1740 CA VAL A 113 3.828 -1.096 11.956 1.00 0.00 C ATOM 1741 C VAL A 113 4.383 0.247 12.421 1.00 0.00 C ATOM 1742 O VAL A 113 5.422 0.304 13.079 1.00 0.00 O ATOM 1743 CB VAL A 113 2.942 -1.684 13.070 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.730 -0.799 13.316 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.512 -3.101 12.716 1.00 0.00 C ATOM 0 H VAL A 113 5.695 -2.008 12.235 1.00 0.00 H new ATOM 0 HA VAL A 113 3.222 -0.949 11.062 1.00 0.00 H new ATOM 0 HB VAL A 113 3.526 -1.722 13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.117 -1.232 14.107 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.060 0.195 13.617 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.142 -0.725 12.401 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.887 -3.501 13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.947 -3.088 11.784 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.394 -3.730 12.596 1.00 0.00 H new ATOM 1755 N PHE A 114 3.686 1.323 12.072 1.00 0.00 N ATOM 1756 CA PHE A 114 4.111 2.664 12.454 1.00 0.00 C ATOM 1757 C PHE A 114 2.968 3.430 13.112 1.00 0.00 C ATOM 1758 O PHE A 114 1.854 3.472 12.589 1.00 0.00 O ATOM 1759 CB PHE A 114 4.619 3.428 11.231 1.00 0.00 C ATOM 1760 CG PHE A 114 3.596 3.560 10.138 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.389 2.527 9.237 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.844 4.716 10.010 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.450 2.645 8.229 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.903 4.839 9.005 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.706 3.804 8.114 1.00 0.00 C ATOM 0 H PHE A 114 2.825 1.292 11.526 1.00 0.00 H new ATOM 0 HA PHE A 114 4.922 2.570 13.176 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.938 4.423 11.541 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.498 2.920 10.835 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.968 1.619 9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.995 5.530 10.703 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.298 1.833 7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.322 5.745 8.917 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.972 3.899 7.328 1.00 0.00 H new ATOM 1775 N SER A 115 3.252 4.036 14.259 1.00 0.00 N ATOM 1776 CA SER A 115 2.249 4.802 14.989 1.00 0.00 C ATOM 1777 C SER A 115 2.451 6.299 14.779 1.00 0.00 C ATOM 1778 O SER A 115 3.550 6.821 14.969 1.00 0.00 O ATOM 1779 CB SER A 115 2.309 4.471 16.480 1.00 0.00 C ATOM 1780 OG SER A 115 1.410 3.424 16.806 1.00 0.00 O ATOM 0 H SER A 115 4.170 4.012 14.704 1.00 0.00 H new ATOM 0 HA SER A 115 1.267 4.528 14.604 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.324 4.181 16.751 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.065 5.359 17.063 1.00 0.00 H new ATOM 0 HG SER A 115 1.468 3.230 17.765 1.00 0.00 H new ATOM 1786 N ILE A 116 1.383 6.984 14.388 1.00 0.00 N ATOM 1787 CA ILE A 116 1.438 8.422 14.156 1.00 0.00 C ATOM 1788 C ILE A 116 0.873 9.189 15.346 1.00 0.00 C ATOM 1789 O ILE A 116 0.127 8.635 16.155 1.00 0.00 O ATOM 1790 CB ILE A 116 0.657 8.819 12.887 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.994 7.870 11.731 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.965 10.260 12.506 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.209 7.131 11.189 1.00 0.00 C ATOM 0 H ILE A 116 0.467 6.566 14.225 1.00 0.00 H new ATOM 0 HA ILE A 116 2.488 8.681 14.022 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.410 8.738 13.095 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.454 8.441 10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.734 7.145 12.070 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.407 10.526 11.608 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.676 10.922 13.323 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.033 10.365 12.314 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.102 6.478 10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.657 6.533 11.983 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.941 7.849 10.819 1.00 0.00 H new ATOM 1805 N SER A 117 1.229 10.466 15.450 1.00 0.00 N ATOM 1806 CA SER A 117 0.753 11.303 16.546 1.00 0.00 C ATOM 1807 C SER A 117 0.732 12.773 16.140 1.00 0.00 C ATOM 1808 O SER A 117 1.533 13.211 15.314 1.00 0.00 O ATOM 1809 CB SER A 117 1.638 11.115 17.779 1.00 0.00 C ATOM 1810 OG SER A 117 2.997 11.387 17.480 1.00 0.00 O ATOM 0 H SER A 117 1.844 10.943 14.790 1.00 0.00 H new ATOM 0 HA SER A 117 -0.265 10.998 16.787 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.299 11.775 18.577 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.541 10.094 18.147 1.00 0.00 H new ATOM 0 HG SER A 117 3.541 11.261 18.285 1.00 0.00 H new ATOM 1816 N MET A 118 -0.193 13.531 16.724 1.00 0.00 N ATOM 1817 CA MET A 118 -0.322 14.953 16.424 1.00 0.00 C ATOM 1818 C MET A 118 0.423 15.804 17.456 1.00 0.00 C ATOM 1819 O MET A 118 -0.010 15.912 18.602 1.00 0.00 O ATOM 1820 CB MET A 118 -1.799 15.355 16.396 1.00 0.00 C ATOM 1821 CG MET A 118 -2.617 14.595 15.367 1.00 0.00 C ATOM 1822 SD MET A 118 -4.392 14.718 15.662 1.00 0.00 S ATOM 1823 CE MET A 118 -4.802 16.147 14.664 1.00 0.00 C ATOM 0 H MET A 118 -0.865 13.183 17.408 1.00 0.00 H new ATOM 0 HA MET A 118 0.121 15.131 15.444 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.230 15.191 17.384 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.872 16.423 16.189 1.00 0.00 H new ATOM 0 HG2 MET A 118 -2.390 14.979 14.373 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.323 13.546 15.378 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.812 16.481 14.904 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.095 16.951 14.872 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.749 15.881 13.608 1.00 0.00 H new ATOM 1833 N PRO A 119 1.557 16.419 17.066 1.00 0.00 N ATOM 1834 CA PRO A 119 2.352 17.257 17.965 1.00 0.00 C ATOM 1835 C PRO A 119 1.706 18.620 18.214 1.00 0.00 C ATOM 1836 O PRO A 119 2.328 19.661 18.001 1.00 0.00 O ATOM 1837 CB PRO A 119 3.693 17.426 17.224 1.00 0.00 C ATOM 1838 CG PRO A 119 3.617 16.535 16.025 1.00 0.00 C ATOM 1839 CD PRO A 119 2.158 16.351 15.731 1.00 0.00 C ATOM 0 HA PRO A 119 2.453 16.803 18.951 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.848 18.464 16.929 1.00 0.00 H new ATOM 0 HB3 PRO A 119 4.530 17.148 17.864 1.00 0.00 H new ATOM 0 HG2 PRO A 119 4.132 16.982 15.175 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.098 15.577 16.221 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.775 17.131 15.073 1.00 0.00 H new ATOM 0 HD3 PRO A 119 1.959 15.396 15.244 1.00 0.00 H new ATOM 1847 N SER A 120 0.455 18.606 18.664 1.00 0.00 N ATOM 1848 CA SER A 120 -0.279 19.839 18.943 1.00 0.00 C ATOM 1849 C SER A 120 -1.745 19.539 19.240 1.00 0.00 C ATOM 1850 O SER A 120 -2.641 20.244 18.776 1.00 0.00 O ATOM 1851 CB SER A 120 -0.175 20.806 17.760 1.00 0.00 C ATOM 1852 OG SER A 120 -0.333 20.124 16.529 1.00 0.00 O ATOM 0 H SER A 120 -0.074 17.753 18.844 1.00 0.00 H new ATOM 0 HA SER A 120 0.168 20.306 19.821 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.937 21.580 17.851 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.793 21.307 17.780 1.00 0.00 H new ATOM 0 HG SER A 120 -0.264 20.763 15.790 1.00 0.00 H new ATOM 1858 N VAL A 121 -1.981 18.483 20.012 1.00 0.00 N ATOM 1859 CA VAL A 121 -3.338 18.084 20.367 1.00 0.00 C ATOM 1860 C VAL A 121 -3.367 17.397 21.727 1.00 0.00 C ATOM 1861 O VAL A 121 -3.911 17.930 22.695 1.00 0.00 O ATOM 1862 CB VAL A 121 -3.931 17.126 19.314 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -5.377 16.789 19.647 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -3.821 17.729 17.923 1.00 0.00 C ATOM 0 H VAL A 121 -1.250 17.889 20.403 1.00 0.00 H new ATOM 0 HA VAL A 121 -3.938 18.993 20.406 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.357 16.199 19.330 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.776 16.112 18.892 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.423 16.309 20.625 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.969 17.704 19.664 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.244 17.039 17.193 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.367 18.672 17.891 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.772 17.909 17.686 1.00 0.00 H new ATOM 1874 N ALA A 122 -2.782 16.207 21.786 1.00 0.00 N ATOM 1875 CA ALA A 122 -2.736 15.431 23.017 1.00 0.00 C ATOM 1876 C ALA A 122 -1.953 14.139 22.800 1.00 0.00 C ATOM 1877 O ALA A 122 -1.096 14.068 21.918 1.00 0.00 O ATOM 1878 CB ALA A 122 -4.150 15.135 23.500 1.00 0.00 C ATOM 0 H ALA A 122 -2.330 15.757 20.990 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.225 16.012 23.784 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.106 14.554 24.421 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.674 16.072 23.687 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -4.683 14.567 22.738 1.00 0.00 H new ATOM 1884 N GLN A 123 -2.244 13.120 23.598 1.00 0.00 N ATOM 1885 CA GLN A 123 -1.559 11.839 23.478 1.00 0.00 C ATOM 1886 C GLN A 123 -2.227 10.952 22.427 1.00 0.00 C ATOM 1887 O GLN A 123 -2.451 9.763 22.658 1.00 0.00 O ATOM 1888 CB GLN A 123 -1.537 11.121 24.829 1.00 0.00 C ATOM 1889 CG GLN A 123 -0.397 11.564 25.733 1.00 0.00 C ATOM 1890 CD GLN A 123 0.750 10.572 25.753 1.00 0.00 C ATOM 1891 OE1 GLN A 123 1.848 10.864 25.281 1.00 0.00 O ATOM 1892 NE2 GLN A 123 0.497 9.389 26.303 1.00 0.00 N ATOM 0 H GLN A 123 -2.949 13.155 24.335 1.00 0.00 H new ATOM 0 HA GLN A 123 -0.535 12.035 23.159 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -2.484 11.296 25.340 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -1.459 10.047 24.660 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -0.028 12.534 25.398 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -0.774 11.699 26.747 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.429 9.190 26.682 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.229 8.680 26.346 1.00 0.00 H new ATOM 1901 N TRP A 124 -2.541 11.532 21.268 1.00 0.00 N ATOM 1902 CA TRP A 124 -3.177 10.786 20.190 1.00 0.00 C ATOM 1903 C TRP A 124 -2.176 9.854 19.514 1.00 0.00 C ATOM 1904 O TRP A 124 -1.021 10.221 19.296 1.00 0.00 O ATOM 1905 CB TRP A 124 -3.771 11.746 19.157 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.013 12.438 19.636 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -5.245 12.933 20.886 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.192 12.709 18.870 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -6.496 13.496 20.946 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -7.098 13.372 19.721 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -6.571 12.459 17.548 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -8.357 13.784 19.292 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -7.822 12.869 17.123 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -8.701 13.526 17.993 1.00 0.00 C ATOM 0 H TRP A 124 -2.364 12.514 21.055 1.00 0.00 H new ATOM 0 HA TRP A 124 -3.978 10.185 20.620 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -3.024 12.495 18.895 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.000 11.193 18.246 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -4.546 12.889 21.708 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -6.910 13.935 21.768 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -5.899 11.954 16.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -9.038 14.289 19.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -8.126 12.679 16.104 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -9.670 13.835 17.631 1.00 0.00 H new ATOM 1925 N SER A 125 -2.624 8.647 19.186 1.00 0.00 N ATOM 1926 CA SER A 125 -1.764 7.665 18.538 1.00 0.00 C ATOM 1927 C SER A 125 -2.525 6.891 17.466 1.00 0.00 C ATOM 1928 O SER A 125 -3.406 6.088 17.773 1.00 0.00 O ATOM 1929 CB SER A 125 -1.189 6.696 19.575 1.00 0.00 C ATOM 1930 OG SER A 125 0.228 6.698 19.546 1.00 0.00 O ATOM 0 H SER A 125 -3.577 8.326 19.358 1.00 0.00 H new ATOM 0 HA SER A 125 -0.945 8.200 18.057 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.536 6.976 20.570 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.558 5.689 19.380 1.00 0.00 H new ATOM 0 HG SER A 125 0.570 6.073 20.219 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.179 7.140 16.207 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.828 6.466 15.089 1.00 0.00 C ATOM 1938 C LEU A 126 -1.998 5.276 14.614 1.00 0.00 C ATOM 1939 O LEU A 126 -0.904 5.444 14.077 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.044 7.445 13.932 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.353 7.258 13.162 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -5.384 8.283 13.604 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -4.110 7.355 11.663 1.00 0.00 C ATOM 0 H LEU A 126 -1.453 7.803 15.936 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.795 6.098 15.431 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.013 8.461 14.325 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.212 7.348 13.234 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.742 6.264 13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.308 8.134 13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.581 8.165 14.669 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.003 9.287 13.415 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.052 7.219 11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.697 8.335 11.424 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.407 6.580 11.358 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.525 4.073 14.819 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.832 2.855 14.414 1.00 0.00 C ATOM 1957 C ASP A 127 -2.102 2.535 12.947 1.00 0.00 C ATOM 1958 O ASP A 127 -3.245 2.314 12.550 1.00 0.00 O ATOM 1959 CB ASP A 127 -2.266 1.680 15.293 1.00 0.00 C ATOM 1960 CG ASP A 127 -2.092 1.969 16.771 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -2.950 2.673 17.344 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -1.097 1.491 17.356 1.00 0.00 O ATOM 0 H ASP A 127 -3.430 3.916 15.263 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.762 3.018 14.539 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.311 1.446 15.092 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.685 0.797 15.027 1.00 0.00 H new ATOM 1967 N VAL A 128 -1.039 2.512 12.147 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.158 2.217 10.724 1.00 0.00 C ATOM 1969 C VAL A 128 0.014 1.370 10.244 1.00 0.00 C ATOM 1970 O VAL A 128 1.111 1.438 10.799 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.225 3.506 9.885 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.544 3.184 8.434 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.253 4.468 10.464 1.00 0.00 C ATOM 0 H VAL A 128 -0.086 2.694 12.461 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.086 1.661 10.591 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.249 3.990 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.587 4.108 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.767 2.537 8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.507 2.676 8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.286 5.373 9.858 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.235 3.995 10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.975 4.726 11.486 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.222 0.570 9.209 1.00 0.00 N ATOM 1984 CA ALA A 129 0.819 -0.290 8.658 1.00 0.00 C ATOM 1985 C ALA A 129 0.480 -0.728 7.236 1.00 0.00 C ATOM 1986 O ALA A 129 -0.690 -0.885 6.886 1.00 0.00 O ATOM 1987 CB ALA A 129 1.024 -1.506 9.550 1.00 0.00 C ATOM 0 H ALA A 129 -1.123 0.499 8.736 1.00 0.00 H new ATOM 0 HA ALA A 129 1.745 0.284 8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.804 -2.140 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.322 -1.180 10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.094 -2.070 9.616 1.00 0.00 H new ATOM 1993 N ALA A 130 1.513 -0.926 6.425 1.00 0.00 N ATOM 1994 CA ALA A 130 1.328 -1.351 5.040 1.00 0.00 C ATOM 1995 C ALA A 130 1.893 -2.750 4.820 1.00 0.00 C ATOM 1996 O ALA A 130 2.845 -3.158 5.485 1.00 0.00 O ATOM 1997 CB ALA A 130 1.983 -0.356 4.092 1.00 0.00 C ATOM 0 H ALA A 130 2.487 -0.800 6.701 1.00 0.00 H new ATOM 0 HA ALA A 130 0.259 -1.382 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.838 -0.684 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.531 0.627 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.050 -0.297 4.307 1.00 0.00 H new ATOM 2003 N ASP A 131 1.302 -3.483 3.881 1.00 0.00 N ATOM 2004 CA ASP A 131 1.749 -4.839 3.575 1.00 0.00 C ATOM 2005 C ASP A 131 3.223 -4.850 3.186 1.00 0.00 C ATOM 2006 O ASP A 131 4.041 -5.513 3.823 1.00 0.00 O ATOM 2007 CB ASP A 131 0.907 -5.433 2.445 1.00 0.00 C ATOM 2008 CG ASP A 131 -0.384 -6.047 2.950 1.00 0.00 C ATOM 2009 OD1 ASP A 131 -1.215 -5.302 3.511 1.00 0.00 O ATOM 2010 OD2 ASP A 131 -0.565 -7.270 2.782 1.00 0.00 O ATOM 0 H ASP A 131 0.514 -3.162 3.319 1.00 0.00 H new ATOM 0 HA ASP A 131 1.623 -5.447 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.676 -4.654 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.488 -6.193 1.923 1.00 0.00 H new ATOM 2015 N SER A 132 3.549 -4.106 2.139 1.00 0.00 N ATOM 2016 CA SER A 132 4.922 -4.019 1.657 1.00 0.00 C ATOM 2017 C SER A 132 5.770 -3.169 2.594 1.00 0.00 C ATOM 2018 O SER A 132 5.560 -1.962 2.714 1.00 0.00 O ATOM 2019 CB SER A 132 4.953 -3.431 0.246 1.00 0.00 C ATOM 2020 OG SER A 132 5.927 -4.077 -0.556 1.00 0.00 O ATOM 0 H SER A 132 2.880 -3.552 1.605 1.00 0.00 H new ATOM 0 HA SER A 132 5.338 -5.026 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.971 -3.534 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.170 -2.364 0.298 1.00 0.00 H new ATOM 0 HG SER A 132 6.820 -3.767 -0.299 1.00 0.00 H new ATOM 2026 N GLN A 133 6.736 -3.807 3.249 1.00 0.00 N ATOM 2027 CA GLN A 133 7.624 -3.106 4.171 1.00 0.00 C ATOM 2028 C GLN A 133 8.178 -1.842 3.524 1.00 0.00 C ATOM 2029 O GLN A 133 8.502 -0.870 4.207 1.00 0.00 O ATOM 2030 CB GLN A 133 8.773 -4.019 4.602 1.00 0.00 C ATOM 2031 CG GLN A 133 9.727 -3.372 5.592 1.00 0.00 C ATOM 2032 CD GLN A 133 11.136 -3.922 5.490 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.941 -3.331 4.615 1.00 0.00 O flip ATOM 2034 NE2 GLN A 133 11.497 -4.868 6.190 1.00 0.00 N flip ATOM 0 H GLN A 133 6.923 -4.806 3.159 1.00 0.00 H new ATOM 0 HA GLN A 133 7.048 -2.824 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.359 -4.924 5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.333 -4.326 3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.748 -2.296 5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.353 -3.526 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 133 10.845 -5.292 6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 133 12.448 -5.228 6.110 1.00 0.00 H new ATOM 2043 N GLU A 134 8.276 -1.860 2.198 1.00 0.00 N ATOM 2044 CA GLU A 134 8.780 -0.710 1.457 1.00 0.00 C ATOM 2045 C GLU A 134 7.741 0.400 1.426 1.00 0.00 C ATOM 2046 O GLU A 134 8.067 1.577 1.577 1.00 0.00 O ATOM 2047 CB GLU A 134 9.156 -1.118 0.030 1.00 0.00 C ATOM 2048 CG GLU A 134 10.357 -2.048 -0.041 1.00 0.00 C ATOM 2049 CD GLU A 134 9.960 -3.511 -0.073 1.00 0.00 C ATOM 2050 OE1 GLU A 134 8.812 -3.806 -0.466 1.00 0.00 O ATOM 2051 OE2 GLU A 134 10.796 -4.361 0.296 1.00 0.00 O ATOM 0 H GLU A 134 8.014 -2.656 1.617 1.00 0.00 H new ATOM 0 HA GLU A 134 9.672 -0.340 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.301 -1.607 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 134 9.367 -0.221 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.941 -1.814 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.002 -1.869 0.819 1.00 0.00 H new ATOM 2058 N GLU A 135 6.483 0.014 1.244 1.00 0.00 N ATOM 2059 CA GLU A 135 5.389 0.975 1.208 1.00 0.00 C ATOM 2060 C GLU A 135 5.201 1.609 2.581 1.00 0.00 C ATOM 2061 O GLU A 135 4.810 2.770 2.691 1.00 0.00 O ATOM 2062 CB GLU A 135 4.094 0.293 0.761 1.00 0.00 C ATOM 2063 CG GLU A 135 3.757 0.529 -0.702 1.00 0.00 C ATOM 2064 CD GLU A 135 4.882 0.121 -1.633 1.00 0.00 C ATOM 2065 OE1 GLU A 135 5.259 -1.070 -1.622 1.00 0.00 O ATOM 2066 OE2 GLU A 135 5.387 0.992 -2.372 1.00 0.00 O ATOM 0 H GLU A 135 6.197 -0.957 1.119 1.00 0.00 H new ATOM 0 HA GLU A 135 5.637 1.757 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.178 -0.779 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.271 0.654 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.857 -0.030 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.530 1.584 -0.853 1.00 0.00 H new ATOM 2073 N LEU A 136 5.491 0.836 3.624 1.00 0.00 N ATOM 2074 CA LEU A 136 5.365 1.320 4.992 1.00 0.00 C ATOM 2075 C LEU A 136 6.408 2.393 5.277 1.00 0.00 C ATOM 2076 O LEU A 136 6.088 3.471 5.779 1.00 0.00 O ATOM 2077 CB LEU A 136 5.515 0.164 5.983 1.00 0.00 C ATOM 2078 CG LEU A 136 5.483 0.566 7.459 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.801 -0.509 8.290 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.894 0.823 7.969 1.00 0.00 C ATOM 0 H LEU A 136 5.815 -0.128 3.546 1.00 0.00 H new ATOM 0 HA LEU A 136 4.374 1.757 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.717 -0.556 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.457 -0.347 5.782 1.00 0.00 H new ATOM 0 HG LEU A 136 4.909 1.487 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.788 -0.206 9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.778 -0.646 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.348 -1.447 8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.855 1.108 9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.491 -0.083 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.349 1.628 7.392 1.00 0.00 H new ATOM 2092 N GLN A 137 7.656 2.093 4.941 1.00 0.00 N ATOM 2093 CA GLN A 137 8.747 3.036 5.151 1.00 0.00 C ATOM 2094 C GLN A 137 8.591 4.238 4.230 1.00 0.00 C ATOM 2095 O GLN A 137 8.821 5.379 4.632 1.00 0.00 O ATOM 2096 CB GLN A 137 10.097 2.354 4.912 1.00 0.00 C ATOM 2097 CG GLN A 137 10.975 2.292 6.151 1.00 0.00 C ATOM 2098 CD GLN A 137 10.720 1.053 6.986 1.00 0.00 C ATOM 2099 OE1 GLN A 137 10.441 1.141 8.180 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.813 -0.113 6.355 1.00 0.00 N ATOM 0 H GLN A 137 7.938 1.206 4.523 1.00 0.00 H new ATOM 0 HA GLN A 137 8.712 3.382 6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.924 1.341 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.630 2.888 4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 137 12.023 2.314 5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 137 10.800 3.179 6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 137 11.047 -0.139 5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.650 -0.982 6.863 1.00 0.00 H new ATOM 2109 N ASP A 138 8.186 3.971 2.993 1.00 0.00 N ATOM 2110 CA ASP A 138 7.983 5.031 2.016 1.00 0.00 C ATOM 2111 C ASP A 138 6.804 5.906 2.422 1.00 0.00 C ATOM 2112 O ASP A 138 6.765 7.097 2.112 1.00 0.00 O ATOM 2113 CB ASP A 138 7.739 4.437 0.627 1.00 0.00 C ATOM 2114 CG ASP A 138 9.026 4.233 -0.149 1.00 0.00 C ATOM 2115 OD1 ASP A 138 9.860 5.162 -0.169 1.00 0.00 O ATOM 2116 OD2 ASP A 138 9.200 3.143 -0.734 1.00 0.00 O ATOM 0 H ASP A 138 7.993 3.032 2.645 1.00 0.00 H new ATOM 0 HA ASP A 138 8.883 5.645 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 138 7.224 3.482 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 138 7.079 5.097 0.064 1.00 0.00 H new ATOM 2121 N TRP A 139 5.847 5.307 3.127 1.00 0.00 N ATOM 2122 CA TRP A 139 4.670 6.035 3.584 1.00 0.00 C ATOM 2123 C TRP A 139 5.056 7.063 4.639 1.00 0.00 C ATOM 2124 O TRP A 139 4.671 8.228 4.559 1.00 0.00 O ATOM 2125 CB TRP A 139 3.629 5.069 4.152 1.00 0.00 C ATOM 2126 CG TRP A 139 2.460 4.866 3.239 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.493 4.352 1.978 1.00 0.00 C ATOM 2128 CD2 TRP A 139 1.090 5.177 3.514 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.226 4.318 1.449 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.347 4.820 2.372 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.417 5.719 4.612 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.033 4.990 2.298 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -0.952 5.887 4.538 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.664 5.524 3.389 1.00 0.00 C ATOM 0 H TRP A 139 5.865 4.322 3.393 1.00 0.00 H new ATOM 0 HA TRP A 139 4.237 6.554 2.729 1.00 0.00 H new ATOM 0 HB2 TRP A 139 4.102 4.107 4.347 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.273 5.449 5.110 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.385 4.020 1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.980 3.975 0.521 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.958 6.002 5.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.585 4.711 1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.482 6.305 5.381 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.734 5.668 3.363 1.00 0.00 H new ATOM 2145 N VAL A 140 5.821 6.616 5.626 1.00 0.00 N ATOM 2146 CA VAL A 140 6.267 7.490 6.705 1.00 0.00 C ATOM 2147 C VAL A 140 7.098 8.646 6.164 1.00 0.00 C ATOM 2148 O VAL A 140 6.963 9.787 6.609 1.00 0.00 O ATOM 2149 CB VAL A 140 7.094 6.717 7.749 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.428 7.608 8.938 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.352 5.468 8.197 1.00 0.00 C ATOM 0 H VAL A 140 6.146 5.652 5.703 1.00 0.00 H new ATOM 0 HA VAL A 140 5.372 7.884 7.186 1.00 0.00 H new ATOM 0 HB VAL A 140 8.031 6.408 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.013 7.042 9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.005 8.468 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.505 7.953 9.405 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.951 4.934 8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.398 5.751 8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.175 4.822 7.337 1.00 0.00 H new ATOM 2161 N LYS A 141 7.959 8.343 5.199 1.00 0.00 N ATOM 2162 CA LYS A 141 8.815 9.357 4.594 1.00 0.00 C ATOM 2163 C LYS A 141 7.990 10.360 3.797 1.00 0.00 C ATOM 2164 O LYS A 141 8.278 11.558 3.803 1.00 0.00 O ATOM 2165 CB LYS A 141 9.863 8.699 3.693 1.00 0.00 C ATOM 2166 CG LYS A 141 11.288 8.865 4.194 1.00 0.00 C ATOM 2167 CD LYS A 141 11.741 7.659 5.001 1.00 0.00 C ATOM 2168 CE LYS A 141 13.179 7.283 4.681 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.806 6.500 5.781 1.00 0.00 N ATOM 0 H LYS A 141 8.083 7.405 4.819 1.00 0.00 H new ATOM 0 HA LYS A 141 9.325 9.893 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.639 7.636 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.787 9.124 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.958 9.009 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.356 9.762 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.649 7.876 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.087 6.813 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 141 13.206 6.701 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.760 8.188 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.786 6.263 5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.804 7.065 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.267 5.624 5.934 1.00 0.00 H new ATOM 2183 N LYS A 142 6.964 9.868 3.114 1.00 0.00 N ATOM 2184 CA LYS A 142 6.100 10.729 2.318 1.00 0.00 C ATOM 2185 C LYS A 142 5.315 11.674 3.216 1.00 0.00 C ATOM 2186 O LYS A 142 5.301 12.882 2.995 1.00 0.00 O ATOM 2187 CB LYS A 142 5.146 9.890 1.460 1.00 0.00 C ATOM 2188 CG LYS A 142 5.421 9.994 -0.031 1.00 0.00 C ATOM 2189 CD LYS A 142 6.273 8.835 -0.523 1.00 0.00 C ATOM 2190 CE LYS A 142 6.592 8.968 -2.003 1.00 0.00 C ATOM 2191 NZ LYS A 142 7.711 8.074 -2.413 1.00 0.00 N ATOM 0 H LYS A 142 6.711 8.880 3.095 1.00 0.00 H new ATOM 0 HA LYS A 142 6.727 11.324 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.221 8.846 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 142 4.121 10.206 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 142 4.477 10.010 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.928 10.935 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 142 7.201 8.796 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 142 5.749 7.896 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 142 5.704 8.730 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 142 6.853 10.002 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 7.897 8.195 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.566 8.318 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 7.452 7.085 -2.224 1.00 0.00 H new ATOM 2205 N ILE A 143 4.679 11.121 4.244 1.00 0.00 N ATOM 2206 CA ILE A 143 3.918 11.934 5.182 1.00 0.00 C ATOM 2207 C ILE A 143 4.814 13.023 5.755 1.00 0.00 C ATOM 2208 O ILE A 143 4.386 14.158 5.971 1.00 0.00 O ATOM 2209 CB ILE A 143 3.345 11.086 6.335 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.479 9.957 5.779 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.541 11.953 7.291 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.275 8.815 6.750 1.00 0.00 C ATOM 0 H ILE A 143 4.676 10.121 4.447 1.00 0.00 H new ATOM 0 HA ILE A 143 3.083 12.378 4.640 1.00 0.00 H new ATOM 0 HB ILE A 143 4.176 10.649 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.507 10.361 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.940 9.571 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.145 11.335 8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.185 12.727 7.709 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.716 12.419 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.651 8.051 6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.241 8.384 7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.786 9.186 7.651 1.00 0.00 H new ATOM 2224 N ARG A 144 6.071 12.660 5.982 1.00 0.00 N ATOM 2225 CA ARG A 144 7.054 13.591 6.514 1.00 0.00 C ATOM 2226 C ARG A 144 7.590 14.499 5.409 1.00 0.00 C ATOM 2227 O ARG A 144 8.036 15.614 5.676 1.00 0.00 O ATOM 2228 CB ARG A 144 8.206 12.831 7.175 1.00 0.00 C ATOM 2229 CG ARG A 144 7.816 12.158 8.480 1.00 0.00 C ATOM 2230 CD ARG A 144 9.039 11.701 9.259 1.00 0.00 C ATOM 2231 NE ARG A 144 9.540 12.740 10.156 1.00 0.00 N ATOM 2232 CZ ARG A 144 10.348 12.506 11.186 1.00 0.00 C ATOM 2233 NH1 ARG A 144 10.751 11.269 11.456 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.756 13.510 11.950 1.00 0.00 N ATOM 0 H ARG A 144 6.433 11.723 5.804 1.00 0.00 H new ATOM 0 HA ARG A 144 6.565 14.211 7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.578 12.076 6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.027 13.523 7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 144 7.234 12.851 9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.175 11.301 8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.788 10.813 9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.826 11.414 8.562 1.00 0.00 H new ATOM 0 HE ARG A 144 9.253 13.703 9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.441 10.493 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 144 11.371 11.096 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 144 10.450 14.462 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 144 11.376 13.331 12.740 1.00 0.00 H new ATOM 2248 N GLU A 145 7.543 14.019 4.165 1.00 0.00 N ATOM 2249 CA GLU A 145 8.026 14.803 3.035 1.00 0.00 C ATOM 2250 C GLU A 145 7.027 15.893 2.668 1.00 0.00 C ATOM 2251 O GLU A 145 7.409 17.015 2.336 1.00 0.00 O ATOM 2252 CB GLU A 145 8.288 13.900 1.828 1.00 0.00 C ATOM 2253 CG GLU A 145 9.622 13.173 1.890 1.00 0.00 C ATOM 2254 CD GLU A 145 10.749 13.970 1.262 1.00 0.00 C ATOM 2255 OE1 GLU A 145 10.755 14.114 0.022 1.00 0.00 O ATOM 2256 OE2 GLU A 145 11.626 14.449 2.011 1.00 0.00 O ATOM 0 H GLU A 145 7.178 13.099 3.919 1.00 0.00 H new ATOM 0 HA GLU A 145 8.963 15.277 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 145 7.486 13.165 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 145 8.254 14.502 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.868 12.960 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.533 12.213 1.381 1.00 0.00 H new ATOM 2263 N VAL A 146 5.745 15.560 2.743 1.00 0.00 N ATOM 2264 CA VAL A 146 4.691 16.515 2.433 1.00 0.00 C ATOM 2265 C VAL A 146 4.439 17.428 3.627 1.00 0.00 C ATOM 2266 O VAL A 146 4.036 18.581 3.468 1.00 0.00 O ATOM 2267 CB VAL A 146 3.382 15.804 2.034 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.912 14.877 3.145 1.00 0.00 C ATOM 2269 CG2 VAL A 146 2.300 16.817 1.679 1.00 0.00 C ATOM 0 H VAL A 146 5.411 14.636 3.016 1.00 0.00 H new ATOM 0 HA VAL A 146 5.025 17.111 1.584 1.00 0.00 H new ATOM 0 HB VAL A 146 3.581 15.200 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 146 1.987 14.386 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.676 14.124 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.735 15.456 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 146 1.387 16.291 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 146 2.103 17.456 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 146 2.635 17.429 0.842 1.00 0.00 H new ATOM 2279 N ALA A 147 4.697 16.910 4.821 1.00 0.00 N ATOM 2280 CA ALA A 147 4.516 17.680 6.041 1.00 0.00 C ATOM 2281 C ALA A 147 5.694 18.621 6.251 1.00 0.00 C ATOM 2282 O ALA A 147 5.535 19.727 6.767 1.00 0.00 O ATOM 2283 CB ALA A 147 4.364 16.753 7.233 1.00 0.00 C ATOM 0 H ALA A 147 5.033 15.958 4.969 1.00 0.00 H new ATOM 0 HA ALA A 147 3.607 18.274 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.229 17.344 8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.495 16.111 7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.258 16.137 7.331 1.00 0.00 H new ATOM 2289 N GLN A 148 6.876 18.173 5.840 1.00 0.00 N ATOM 2290 CA GLN A 148 8.084 18.977 5.975 1.00 0.00 C ATOM 2291 C GLN A 148 8.103 20.107 4.949 1.00 0.00 C ATOM 2292 O GLN A 148 8.900 21.040 5.058 1.00 0.00 O ATOM 2293 CB GLN A 148 9.327 18.101 5.811 1.00 0.00 C ATOM 2294 CG GLN A 148 10.631 18.866 5.955 1.00 0.00 C ATOM 2295 CD GLN A 148 11.849 17.966 5.860 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.057 17.287 4.855 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.661 17.958 6.911 1.00 0.00 N ATOM 0 H GLN A 148 7.022 17.259 5.411 1.00 0.00 H new ATOM 0 HA GLN A 148 8.088 19.416 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.300 17.303 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.300 17.626 4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.687 19.630 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.640 19.384 6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.449 18.537 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.496 17.373 6.906 1.00 0.00 H new ATOM 2306 N THR A 149 7.223 20.021 3.954 1.00 0.00 N ATOM 2307 CA THR A 149 7.150 21.045 2.916 1.00 0.00 C ATOM 2308 C THR A 149 5.925 21.936 3.108 1.00 0.00 C ATOM 2309 O THR A 149 5.876 23.055 2.596 1.00 0.00 O ATOM 2310 CB THR A 149 7.112 20.398 1.529 1.00 0.00 C ATOM 2311 OG1 THR A 149 7.092 21.387 0.515 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.914 19.501 1.316 1.00 0.00 C ATOM 0 H THR A 149 6.555 19.258 3.845 1.00 0.00 H new ATOM 0 HA THR A 149 8.042 21.666 2.995 1.00 0.00 H new ATOM 0 HB THR A 149 8.014 19.789 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 149 7.069 20.954 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.951 19.076 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.927 18.696 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.999 20.083 1.430 1.00 0.00 H new ATOM 2320 N ALA A 150 4.939 21.437 3.848 1.00 0.00 N ATOM 2321 CA ALA A 150 3.720 22.193 4.104 1.00 0.00 C ATOM 2322 C ALA A 150 3.950 23.265 5.164 1.00 0.00 C ATOM 2323 O ALA A 150 5.076 23.332 5.702 1.00 0.00 O ATOM 2324 CB ALA A 150 2.600 21.258 4.533 1.00 0.00 C ATOM 2325 OXT ALA A 150 3.004 24.030 5.448 1.00 0.00 O ATOM 0 H ALA A 150 4.961 20.513 4.280 1.00 0.00 H new ATOM 0 HA ALA A 150 3.430 22.690 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.695 21.836 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 150 2.409 20.532 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.892 20.735 5.443 1.00 0.00 H new