USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 743 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 167:sc= 0 (180deg=-0.0641) USER MOD Set 1.2: A 53 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.26) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.049 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.249 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 170:sc= 0.0531 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.433 X(o=-0.43,f=0.013) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 136:sc= -1.05 USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.0922 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -0.224 (180deg=-1.47) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 34:sc= -1.67! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 47 THR OG1 : rot -115:sc= 1.38 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.043) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.8!) USER MOD Single : A 75 TYR OH : rot 120:sc= 0.0592 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -114:sc= 1.02 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.022 -19.473 8.004 1.00 0.00 N ATOM 2 CA GLY A 1 -9.851 -19.786 7.138 1.00 0.00 C ATOM 3 C GLY A 1 -10.175 -20.810 6.068 1.00 0.00 C ATOM 4 O GLY A 1 -11.343 -21.103 5.814 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.152 -18.442 8.053 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.876 -19.911 7.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.856 -19.847 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.499 -18.870 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.035 -20.159 7.757 1.00 0.00 H new ATOM 10 N SER A 2 -9.139 -21.355 5.440 1.00 0.00 N ATOM 11 CA SER A 2 -9.319 -22.351 4.390 1.00 0.00 C ATOM 12 C SER A 2 -8.119 -23.290 4.320 1.00 0.00 C ATOM 13 O SER A 2 -7.013 -22.876 3.974 1.00 0.00 O ATOM 14 CB SER A 2 -9.525 -21.667 3.038 1.00 0.00 C ATOM 15 OG SER A 2 -10.891 -21.360 2.824 1.00 0.00 O ATOM 0 H SER A 2 -8.166 -21.124 5.640 1.00 0.00 H new ATOM 0 HA SER A 2 -10.205 -22.939 4.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.933 -20.753 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.166 -22.317 2.240 1.00 0.00 H new ATOM 0 HG SER A 2 -11.336 -21.231 3.687 1.00 0.00 H new ATOM 21 N SER A 3 -8.346 -24.557 4.651 1.00 0.00 N ATOM 22 CA SER A 3 -7.284 -25.556 4.625 1.00 0.00 C ATOM 23 C SER A 3 -6.802 -25.802 3.199 1.00 0.00 C ATOM 24 O SER A 3 -5.627 -25.611 2.888 1.00 0.00 O ATOM 25 CB SER A 3 -7.771 -26.867 5.244 1.00 0.00 C ATOM 26 OG SER A 3 -8.078 -26.701 6.618 1.00 0.00 O ATOM 0 H SER A 3 -9.256 -24.916 4.940 1.00 0.00 H new ATOM 0 HA SER A 3 -6.448 -25.175 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.655 -27.218 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.004 -27.633 5.130 1.00 0.00 H new ATOM 0 HG SER A 3 -8.388 -27.553 6.989 1.00 0.00 H new ATOM 32 N GLY A 4 -7.719 -26.227 2.336 1.00 0.00 N ATOM 33 CA GLY A 4 -7.369 -26.491 0.953 1.00 0.00 C ATOM 34 C GLY A 4 -7.606 -25.293 0.054 1.00 0.00 C ATOM 35 O GLY A 4 -8.735 -25.033 -0.361 1.00 0.00 O ATOM 0 H GLY A 4 -8.698 -26.393 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.320 -26.781 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.954 -27.336 0.589 1.00 0.00 H new ATOM 39 N SER A 5 -6.538 -24.561 -0.245 1.00 0.00 N ATOM 40 CA SER A 5 -6.633 -23.383 -1.099 1.00 0.00 C ATOM 41 C SER A 5 -5.249 -22.907 -1.527 1.00 0.00 C ATOM 42 O SER A 5 -4.895 -22.974 -2.703 1.00 0.00 O ATOM 43 CB SER A 5 -7.370 -22.257 -0.371 1.00 0.00 C ATOM 44 OG SER A 5 -6.944 -22.156 0.976 1.00 0.00 O ATOM 0 H SER A 5 -5.597 -24.763 0.092 1.00 0.00 H new ATOM 0 HA SER A 5 -7.195 -23.658 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.193 -21.311 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.444 -22.441 -0.403 1.00 0.00 H new ATOM 0 HG SER A 5 -7.305 -21.336 1.373 1.00 0.00 H new ATOM 50 N SER A 6 -4.471 -22.425 -0.563 1.00 0.00 N ATOM 51 CA SER A 6 -3.124 -21.937 -0.840 1.00 0.00 C ATOM 52 C SER A 6 -2.076 -22.947 -0.383 1.00 0.00 C ATOM 53 O SER A 6 -1.458 -23.627 -1.202 1.00 0.00 O ATOM 54 CB SER A 6 -2.893 -20.594 -0.145 1.00 0.00 C ATOM 55 OG SER A 6 -1.539 -20.191 -0.252 1.00 0.00 O ATOM 0 H SER A 6 -4.750 -22.362 0.416 1.00 0.00 H new ATOM 0 HA SER A 6 -3.027 -21.802 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.538 -19.836 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.170 -20.672 0.906 1.00 0.00 H new ATOM 0 HG SER A 6 -1.418 -19.329 0.199 1.00 0.00 H new ATOM 61 N GLY A 7 -1.881 -23.038 0.928 1.00 0.00 N ATOM 62 CA GLY A 7 -0.907 -23.967 1.470 1.00 0.00 C ATOM 63 C GLY A 7 -0.244 -23.445 2.730 1.00 0.00 C ATOM 64 O GLY A 7 -0.190 -22.237 2.954 1.00 0.00 O ATOM 0 H GLY A 7 -2.380 -22.485 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.397 -24.916 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.144 -24.168 0.718 1.00 0.00 H new ATOM 68 N LEU A 8 0.261 -24.360 3.552 1.00 0.00 N ATOM 69 CA LEU A 8 0.924 -23.988 4.798 1.00 0.00 C ATOM 70 C LEU A 8 -0.037 -23.258 5.733 1.00 0.00 C ATOM 71 O LEU A 8 -0.956 -22.574 5.281 1.00 0.00 O ATOM 72 CB LEU A 8 2.142 -23.108 4.509 1.00 0.00 C ATOM 73 CG LEU A 8 3.420 -23.870 4.151 1.00 0.00 C ATOM 74 CD1 LEU A 8 4.197 -23.132 3.069 1.00 0.00 C ATOM 75 CD2 LEU A 8 4.285 -24.072 5.386 1.00 0.00 C ATOM 0 H LEU A 8 0.224 -25.364 3.378 1.00 0.00 H new ATOM 0 HA LEU A 8 1.254 -24.903 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.897 -22.433 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.339 -22.488 5.384 1.00 0.00 H new ATOM 0 HG LEU A 8 3.139 -24.850 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.102 -23.689 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.579 -23.040 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.467 -22.139 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.189 -24.616 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.557 -23.102 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.730 -24.643 6.130 1.00 0.00 H new ATOM 87 N PRO A 9 0.163 -23.394 7.055 1.00 0.00 N ATOM 88 CA PRO A 9 -0.691 -22.744 8.055 1.00 0.00 C ATOM 89 C PRO A 9 -0.826 -21.244 7.811 1.00 0.00 C ATOM 90 O PRO A 9 -0.034 -20.650 7.080 1.00 0.00 O ATOM 91 CB PRO A 9 0.037 -23.008 9.374 1.00 0.00 C ATOM 92 CG PRO A 9 0.833 -24.243 9.127 1.00 0.00 C ATOM 93 CD PRO A 9 1.235 -24.192 7.679 1.00 0.00 C ATOM 0 HA PRO A 9 -1.710 -23.130 8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.680 -22.171 9.646 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.668 -23.148 10.194 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.709 -24.279 9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.244 -25.136 9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.211 -23.725 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.299 -25.189 7.244 1.00 0.00 H new ATOM 101 N ASN A 10 -1.834 -20.638 8.429 1.00 0.00 N ATOM 102 CA ASN A 10 -2.073 -19.207 8.279 1.00 0.00 C ATOM 103 C ASN A 10 -1.541 -18.439 9.484 1.00 0.00 C ATOM 104 O ASN A 10 -1.088 -19.033 10.462 1.00 0.00 O ATOM 105 CB ASN A 10 -3.568 -18.934 8.100 1.00 0.00 C ATOM 106 CG ASN A 10 -3.843 -17.920 7.007 1.00 0.00 C ATOM 107 OD1 ASN A 10 -2.923 -17.301 6.472 1.00 0.00 O ATOM 108 ND2 ASN A 10 -5.116 -17.745 6.670 1.00 0.00 N ATOM 0 H ASN A 10 -2.498 -21.115 9.038 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.542 -18.865 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.079 -19.867 7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.984 -18.572 9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.363 -17.076 5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.846 -18.280 7.140 1.00 0.00 H new ATOM 115 N SER A 11 -1.602 -17.111 9.406 1.00 0.00 N ATOM 116 CA SER A 11 -1.127 -16.254 10.490 1.00 0.00 C ATOM 117 C SER A 11 0.390 -16.328 10.619 1.00 0.00 C ATOM 118 O SER A 11 1.094 -15.355 10.348 1.00 0.00 O ATOM 119 CB SER A 11 -1.785 -16.649 11.814 1.00 0.00 C ATOM 120 OG SER A 11 -1.595 -15.646 12.798 1.00 0.00 O ATOM 0 H SER A 11 -1.976 -16.605 8.603 1.00 0.00 H new ATOM 0 HA SER A 11 -1.403 -15.227 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.851 -16.813 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.365 -17.592 12.165 1.00 0.00 H new ATOM 0 HG SER A 11 -2.026 -15.922 13.634 1.00 0.00 H new ATOM 126 N ASP A 12 0.889 -17.488 11.035 1.00 0.00 N ATOM 127 CA ASP A 12 2.324 -17.687 11.200 1.00 0.00 C ATOM 128 C ASP A 12 3.048 -17.564 9.862 1.00 0.00 C ATOM 129 O ASP A 12 2.417 -17.428 8.814 1.00 0.00 O ATOM 130 CB ASP A 12 2.601 -19.058 11.818 1.00 0.00 C ATOM 131 CG ASP A 12 3.871 -19.072 12.647 1.00 0.00 C ATOM 132 OD1 ASP A 12 4.102 -18.099 13.396 1.00 0.00 O ATOM 133 OD2 ASP A 12 4.635 -20.055 12.546 1.00 0.00 O ATOM 0 H ASP A 12 0.321 -18.304 11.264 1.00 0.00 H new ATOM 0 HA ASP A 12 2.699 -16.912 11.868 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.758 -19.348 12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.680 -19.802 11.025 1.00 0.00 H new ATOM 138 N HIS A 13 4.375 -17.611 9.908 1.00 0.00 N ATOM 139 CA HIS A 13 5.185 -17.505 8.700 1.00 0.00 C ATOM 140 C HIS A 13 4.943 -16.172 7.997 1.00 0.00 C ATOM 141 O HIS A 13 4.208 -16.102 7.013 1.00 0.00 O ATOM 142 CB HIS A 13 4.872 -18.661 7.748 1.00 0.00 C ATOM 143 CG HIS A 13 5.831 -18.768 6.602 1.00 0.00 C ATOM 144 ND1 HIS A 13 6.756 -19.778 6.468 1.00 0.00 N ATOM 145 CD2 HIS A 13 5.993 -17.964 5.521 1.00 0.00 C ATOM 146 CE1 HIS A 13 7.439 -19.561 5.335 1.00 0.00 C ATOM 147 NE2 HIS A 13 7.015 -18.473 4.724 1.00 0.00 N ATOM 0 H HIS A 13 4.912 -17.722 10.768 1.00 0.00 H new ATOM 0 HA HIS A 13 6.234 -17.556 8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.882 -19.596 8.309 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.863 -18.535 7.356 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.421 -17.072 5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.233 -20.195 4.970 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.364 -18.084 3.848 1.00 0.00 H new ATOM 155 N THR A 14 5.568 -15.117 8.510 1.00 0.00 N ATOM 156 CA THR A 14 5.422 -13.786 7.932 1.00 0.00 C ATOM 157 C THR A 14 6.742 -13.302 7.339 1.00 0.00 C ATOM 158 O THR A 14 7.775 -13.311 8.009 1.00 0.00 O ATOM 159 CB THR A 14 4.933 -12.798 8.992 1.00 0.00 C ATOM 160 OG1 THR A 14 5.373 -13.187 10.281 1.00 0.00 O ATOM 161 CG2 THR A 14 3.426 -12.669 9.041 1.00 0.00 C ATOM 0 H THR A 14 6.180 -15.158 9.325 1.00 0.00 H new ATOM 0 HA THR A 14 4.685 -13.844 7.131 1.00 0.00 H new ATOM 0 HB THR A 14 5.354 -11.835 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.052 -12.542 10.945 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.147 -11.953 9.814 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.059 -12.322 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.985 -13.639 9.269 1.00 0.00 H new ATOM 169 N THR A 15 6.700 -12.882 6.079 1.00 0.00 N ATOM 170 CA THR A 15 7.893 -12.396 5.396 1.00 0.00 C ATOM 171 C THR A 15 7.943 -10.871 5.407 1.00 0.00 C ATOM 172 O THR A 15 8.448 -10.250 4.472 1.00 0.00 O ATOM 173 CB THR A 15 7.925 -12.908 3.955 1.00 0.00 C ATOM 174 OG1 THR A 15 7.307 -14.179 3.862 1.00 0.00 O ATOM 175 CG2 THR A 15 9.325 -13.036 3.397 1.00 0.00 C ATOM 0 H THR A 15 5.853 -12.868 5.511 1.00 0.00 H new ATOM 0 HA THR A 15 8.766 -12.774 5.928 1.00 0.00 H new ATOM 0 HB THR A 15 7.386 -12.163 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.336 -14.489 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.276 -13.404 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.812 -12.061 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.897 -13.736 4.007 1.00 0.00 H new ATOM 183 N SER A 16 7.419 -10.273 6.472 1.00 0.00 N ATOM 184 CA SER A 16 7.405 -8.821 6.604 1.00 0.00 C ATOM 185 C SER A 16 8.336 -8.367 7.726 1.00 0.00 C ATOM 186 O SER A 16 8.116 -7.326 8.345 1.00 0.00 O ATOM 187 CB SER A 16 5.984 -8.325 6.874 1.00 0.00 C ATOM 188 OG SER A 16 5.234 -8.246 5.675 1.00 0.00 O ATOM 0 H SER A 16 6.998 -10.772 7.256 1.00 0.00 H new ATOM 0 HA SER A 16 7.759 -8.393 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.488 -8.998 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.022 -7.344 7.348 1.00 0.00 H new ATOM 0 HG SER A 16 4.340 -8.618 5.823 1.00 0.00 H new ATOM 194 N ARG A 17 9.375 -9.156 7.982 1.00 0.00 N ATOM 195 CA ARG A 17 10.338 -8.834 9.030 1.00 0.00 C ATOM 196 C ARG A 17 11.735 -8.640 8.446 1.00 0.00 C ATOM 197 O ARG A 17 12.482 -7.763 8.878 1.00 0.00 O ATOM 198 CB ARG A 17 10.360 -9.940 10.089 1.00 0.00 C ATOM 199 CG ARG A 17 9.747 -9.522 11.415 1.00 0.00 C ATOM 200 CD ARG A 17 10.809 -9.070 12.403 1.00 0.00 C ATOM 201 NE ARG A 17 10.225 -8.572 13.646 1.00 0.00 N ATOM 202 CZ ARG A 17 9.692 -9.354 14.581 1.00 0.00 C ATOM 203 NH1 ARG A 17 9.667 -10.672 14.418 1.00 0.00 N ATOM 204 NH2 ARG A 17 9.183 -8.820 15.682 1.00 0.00 N ATOM 0 H ARG A 17 9.572 -10.021 7.479 1.00 0.00 H new ATOM 0 HA ARG A 17 10.029 -7.900 9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.823 -10.808 9.707 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.391 -10.251 10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.036 -8.713 11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.188 -10.357 11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.476 -9.903 12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.417 -8.287 11.949 1.00 0.00 H new ATOM 0 HE ARG A 17 10.226 -7.565 13.807 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.058 -11.089 13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.257 -11.267 15.138 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.200 -7.809 15.813 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.775 -9.420 16.398 1.00 0.00 H new ATOM 218 N ALA A 18 12.080 -9.464 7.462 1.00 0.00 N ATOM 219 CA ALA A 18 13.387 -9.383 6.820 1.00 0.00 C ATOM 220 C ALA A 18 13.320 -8.564 5.534 1.00 0.00 C ATOM 221 O ALA A 18 14.139 -8.742 4.631 1.00 0.00 O ATOM 222 CB ALA A 18 13.920 -10.778 6.531 1.00 0.00 C ATOM 0 H ALA A 18 11.473 -10.195 7.092 1.00 0.00 H new ATOM 0 HA ALA A 18 14.069 -8.879 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.896 -10.703 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.016 -11.331 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.230 -11.301 5.869 1.00 0.00 H new ATOM 228 N MET A 19 12.344 -7.664 5.456 1.00 0.00 N ATOM 229 CA MET A 19 12.175 -6.819 4.280 1.00 0.00 C ATOM 230 C MET A 19 12.259 -5.343 4.654 1.00 0.00 C ATOM 231 O MET A 19 12.890 -4.549 3.956 1.00 0.00 O ATOM 232 CB MET A 19 10.833 -7.110 3.604 1.00 0.00 C ATOM 233 CG MET A 19 10.853 -8.346 2.721 1.00 0.00 C ATOM 234 SD MET A 19 10.991 -7.945 0.968 1.00 0.00 S ATOM 235 CE MET A 19 10.421 -9.472 0.225 1.00 0.00 C ATOM 0 H MET A 19 11.659 -7.502 6.194 1.00 0.00 H new ATOM 0 HA MET A 19 12.982 -7.045 3.583 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.068 -7.234 4.371 1.00 0.00 H new ATOM 0 HB3 MET A 19 10.544 -6.248 3.002 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.690 -8.982 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.942 -8.922 2.888 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.228 -9.311 -0.836 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.185 -10.241 0.342 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.503 -9.795 0.716 1.00 0.00 H new ATOM 245 N LEU A 20 11.617 -4.982 5.761 1.00 0.00 N ATOM 246 CA LEU A 20 11.618 -3.601 6.229 1.00 0.00 C ATOM 247 C LEU A 20 13.016 -3.175 6.664 1.00 0.00 C ATOM 248 O LEU A 20 13.429 -2.038 6.435 1.00 0.00 O ATOM 249 CB LEU A 20 10.637 -3.434 7.391 1.00 0.00 C ATOM 250 CG LEU A 20 9.165 -3.643 7.030 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.420 -4.296 8.184 1.00 0.00 C ATOM 252 CD2 LEU A 20 8.516 -2.318 6.656 1.00 0.00 C ATOM 0 H LEU A 20 11.090 -5.627 6.350 1.00 0.00 H new ATOM 0 HA LEU A 20 11.304 -2.963 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.906 -4.139 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.755 -2.433 7.805 1.00 0.00 H new ATOM 0 HG LEU A 20 9.112 -4.308 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.375 -4.437 7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.870 -5.263 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.481 -3.656 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.469 -2.484 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.580 -1.631 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.034 -1.889 5.798 1.00 0.00 H new ATOM 264 N THR A 21 13.741 -4.095 7.293 1.00 0.00 N ATOM 265 CA THR A 21 15.093 -3.814 7.759 1.00 0.00 C ATOM 266 C THR A 21 16.088 -3.859 6.604 1.00 0.00 C ATOM 267 O THR A 21 16.995 -3.031 6.519 1.00 0.00 O ATOM 268 CB THR A 21 15.500 -4.818 8.840 1.00 0.00 C ATOM 269 OG1 THR A 21 14.700 -5.985 8.768 1.00 0.00 O ATOM 270 CG2 THR A 21 15.380 -4.267 10.245 1.00 0.00 C ATOM 0 H THR A 21 13.414 -5.041 7.491 1.00 0.00 H new ATOM 0 HA THR A 21 15.104 -2.810 8.183 1.00 0.00 H new ATOM 0 HB THR A 21 16.548 -5.044 8.643 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.850 -5.828 9.230 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.684 -5.030 10.962 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.024 -3.394 10.350 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.346 -3.980 10.436 1.00 0.00 H new ATOM 278 N SER A 22 15.910 -4.831 5.715 1.00 0.00 N ATOM 279 CA SER A 22 16.791 -4.984 4.563 1.00 0.00 C ATOM 280 C SER A 22 16.638 -3.810 3.602 1.00 0.00 C ATOM 281 O SER A 22 17.625 -3.243 3.136 1.00 0.00 O ATOM 282 CB SER A 22 16.492 -6.297 3.836 1.00 0.00 C ATOM 283 OG SER A 22 17.682 -6.899 3.358 1.00 0.00 O ATOM 0 H SER A 22 15.164 -5.524 5.770 1.00 0.00 H new ATOM 0 HA SER A 22 17.820 -5.003 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.981 -6.982 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.816 -6.108 3.002 1.00 0.00 H new ATOM 0 HG SER A 22 17.463 -7.737 2.899 1.00 0.00 H new ATOM 289 N LEU A 23 15.392 -3.452 3.308 1.00 0.00 N ATOM 290 CA LEU A 23 15.109 -2.345 2.402 1.00 0.00 C ATOM 291 C LEU A 23 15.382 -1.005 3.077 1.00 0.00 C ATOM 292 O LEU A 23 16.058 -0.143 2.516 1.00 0.00 O ATOM 293 CB LEU A 23 13.655 -2.404 1.929 1.00 0.00 C ATOM 294 CG LEU A 23 13.334 -3.542 0.960 1.00 0.00 C ATOM 295 CD1 LEU A 23 11.833 -3.770 0.881 1.00 0.00 C ATOM 296 CD2 LEU A 23 13.902 -3.242 -0.419 1.00 0.00 C ATOM 0 H LEU A 23 14.563 -3.912 3.684 1.00 0.00 H new ATOM 0 HA LEU A 23 15.769 -2.438 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.009 -2.498 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.407 -1.458 1.449 1.00 0.00 H new ATOM 0 HG LEU A 23 13.799 -4.454 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.625 -4.584 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.452 -4.029 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.345 -2.860 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.665 -4.062 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.465 -2.319 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.984 -3.130 -0.350 1.00 0.00 H new ATOM 308 N GLY A 24 14.854 -0.838 4.285 1.00 0.00 N ATOM 309 CA GLY A 24 15.053 0.399 5.017 1.00 0.00 C ATOM 310 C GLY A 24 13.786 1.227 5.112 1.00 0.00 C ATOM 311 O GLY A 24 13.845 2.454 5.208 1.00 0.00 O ATOM 0 H GLY A 24 14.292 -1.537 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.410 0.170 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.831 0.986 4.528 1.00 0.00 H new ATOM 315 N LEU A 25 12.639 0.558 5.084 1.00 0.00 N ATOM 316 CA LEU A 25 11.353 1.240 5.167 1.00 0.00 C ATOM 317 C LEU A 25 10.658 0.932 6.489 1.00 0.00 C ATOM 318 O LEU A 25 10.926 -0.091 7.119 1.00 0.00 O ATOM 319 CB LEU A 25 10.456 0.828 3.998 1.00 0.00 C ATOM 320 CG LEU A 25 11.070 1.023 2.611 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.201 0.372 1.546 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.259 2.503 2.316 1.00 0.00 C ATOM 0 H LEU A 25 12.573 -0.457 5.004 1.00 0.00 H new ATOM 0 HA LEU A 25 11.536 2.313 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.190 -0.222 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.529 1.399 4.052 1.00 0.00 H new ATOM 0 HG LEU A 25 12.048 0.542 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.654 0.521 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.116 -0.696 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.209 0.823 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.697 2.623 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.293 3.007 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.923 2.941 3.062 1.00 0.00 H new ATOM 334 N LYS A 26 9.764 1.824 6.903 1.00 0.00 N ATOM 335 CA LYS A 26 9.030 1.646 8.151 1.00 0.00 C ATOM 336 C LYS A 26 7.690 2.374 8.102 1.00 0.00 C ATOM 337 O LYS A 26 7.488 3.269 7.281 1.00 0.00 O ATOM 338 CB LYS A 26 9.858 2.157 9.331 1.00 0.00 C ATOM 339 CG LYS A 26 11.005 1.237 9.713 1.00 0.00 C ATOM 340 CD LYS A 26 11.294 1.295 11.204 1.00 0.00 C ATOM 341 CE LYS A 26 12.538 0.498 11.563 1.00 0.00 C ATOM 342 NZ LYS A 26 12.367 -0.254 12.837 1.00 0.00 N ATOM 0 H LYS A 26 9.530 2.676 6.394 1.00 0.00 H new ATOM 0 HA LYS A 26 8.840 0.581 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.259 3.140 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.204 2.287 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.762 0.213 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.899 1.519 9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.425 2.333 11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.439 0.905 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.767 -0.200 10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.389 1.173 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.237 -0.784 13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.173 0.413 13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.571 -0.917 12.745 1.00 0.00 H new ATOM 356 N LEU A 27 6.779 1.984 8.987 1.00 0.00 N ATOM 357 CA LEU A 27 5.457 2.599 9.045 1.00 0.00 C ATOM 358 C LEU A 27 5.564 4.085 9.371 1.00 0.00 C ATOM 359 O LEU A 27 5.894 4.462 10.496 1.00 0.00 O ATOM 360 CB LEU A 27 4.590 1.895 10.090 1.00 0.00 C ATOM 361 CG LEU A 27 4.485 0.378 9.929 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.278 -0.288 11.280 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.352 0.022 8.977 1.00 0.00 C ATOM 0 H LEU A 27 6.931 1.245 9.674 1.00 0.00 H new ATOM 0 HA LEU A 27 4.990 2.493 8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.992 2.113 11.080 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.587 2.319 10.053 1.00 0.00 H new ATOM 0 HG LEU A 27 5.419 0.010 9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.205 -1.367 11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.121 -0.059 11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.359 0.084 11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.291 -1.061 8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.411 0.402 9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.542 0.470 8.002 1.00 0.00 H new ATOM 375 N GLY A 28 5.281 4.925 8.380 1.00 0.00 N ATOM 376 CA GLY A 28 5.350 6.361 8.582 1.00 0.00 C ATOM 377 C GLY A 28 6.487 7.000 7.810 1.00 0.00 C ATOM 378 O GLY A 28 7.028 8.025 8.225 1.00 0.00 O ATOM 0 H GLY A 28 5.005 4.637 7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.407 6.814 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.474 6.570 9.645 1.00 0.00 H new ATOM 382 N ASP A 29 6.849 6.395 6.683 1.00 0.00 N ATOM 383 CA ASP A 29 7.930 6.912 5.851 1.00 0.00 C ATOM 384 C ASP A 29 7.449 7.146 4.422 1.00 0.00 C ATOM 385 O ASP A 29 6.480 6.535 3.974 1.00 0.00 O ATOM 386 CB ASP A 29 9.111 5.941 5.850 1.00 0.00 C ATOM 387 CG ASP A 29 9.718 5.769 7.229 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.196 4.945 8.009 1.00 0.00 O ATOM 389 OD2 ASP A 29 10.716 6.458 7.529 1.00 0.00 O ATOM 0 H ASP A 29 6.410 5.547 6.325 1.00 0.00 H new ATOM 0 HA ASP A 29 8.254 7.865 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.780 4.971 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.875 6.303 5.162 1.00 0.00 H new ATOM 394 N ARG A 30 8.135 8.036 3.711 1.00 0.00 N ATOM 395 CA ARG A 30 7.779 8.351 2.333 1.00 0.00 C ATOM 396 C ARG A 30 8.439 7.377 1.362 1.00 0.00 C ATOM 397 O ARG A 30 9.665 7.309 1.273 1.00 0.00 O ATOM 398 CB ARG A 30 8.190 9.785 1.993 1.00 0.00 C ATOM 399 CG ARG A 30 7.200 10.833 2.475 1.00 0.00 C ATOM 400 CD ARG A 30 6.569 11.586 1.314 1.00 0.00 C ATOM 401 NE ARG A 30 5.760 12.714 1.766 1.00 0.00 N ATOM 402 CZ ARG A 30 4.946 13.409 0.975 1.00 0.00 C ATOM 403 NH1 ARG A 30 4.830 13.093 -0.310 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.245 14.421 1.468 1.00 0.00 N ATOM 0 H ARG A 30 8.940 8.551 4.067 1.00 0.00 H new ATOM 0 HA ARG A 30 6.698 8.256 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.166 9.989 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.304 9.875 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.419 10.352 3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.708 11.538 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.353 11.946 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.947 10.903 0.735 1.00 0.00 H new ATOM 0 HE ARG A 30 5.822 12.986 2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.366 12.315 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.205 13.628 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.329 14.667 2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.621 14.953 0.861 1.00 0.00 H new ATOM 418 N VAL A 31 7.618 6.625 0.636 1.00 0.00 N ATOM 419 CA VAL A 31 8.123 5.654 -0.327 1.00 0.00 C ATOM 420 C VAL A 31 7.789 6.074 -1.755 1.00 0.00 C ATOM 421 O VAL A 31 7.165 7.112 -1.978 1.00 0.00 O ATOM 422 CB VAL A 31 7.543 4.251 -0.069 1.00 0.00 C ATOM 423 CG1 VAL A 31 8.104 3.669 1.219 1.00 0.00 C ATOM 424 CG2 VAL A 31 6.024 4.302 -0.022 1.00 0.00 C ATOM 0 H VAL A 31 6.601 6.670 0.696 1.00 0.00 H new ATOM 0 HA VAL A 31 9.205 5.619 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 31 7.837 3.600 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.682 2.677 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.189 3.594 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.844 4.318 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.632 3.302 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.707 4.969 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.643 4.673 -0.974 1.00 0.00 H new ATOM 434 N VAL A 32 8.208 5.260 -2.719 1.00 0.00 N ATOM 435 CA VAL A 32 7.954 5.546 -4.125 1.00 0.00 C ATOM 436 C VAL A 32 7.740 4.259 -4.917 1.00 0.00 C ATOM 437 O VAL A 32 8.610 3.388 -4.952 1.00 0.00 O ATOM 438 CB VAL A 32 9.113 6.345 -4.755 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.408 5.548 -4.698 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.779 6.734 -6.189 1.00 0.00 C ATOM 0 H VAL A 32 8.725 4.397 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 32 7.047 6.148 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 32 9.252 7.260 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.213 6.129 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.655 5.329 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.285 4.614 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.609 7.297 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.609 5.834 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.880 7.350 -6.199 1.00 0.00 H new ATOM 450 N ILE A 33 6.578 4.146 -5.551 1.00 0.00 N ATOM 451 CA ILE A 33 6.251 2.966 -6.342 1.00 0.00 C ATOM 452 C ILE A 33 6.971 2.990 -7.686 1.00 0.00 C ATOM 453 O ILE A 33 6.671 3.817 -8.547 1.00 0.00 O ATOM 454 CB ILE A 33 4.733 2.855 -6.586 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.970 2.978 -5.265 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.400 1.539 -7.274 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.649 3.704 -5.397 1.00 0.00 C ATOM 0 H ILE A 33 5.847 4.857 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 33 6.583 2.099 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 33 4.426 3.672 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.789 1.980 -4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.594 3.503 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.324 1.477 -7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.918 1.488 -8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.719 0.708 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.163 3.754 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.824 4.714 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.007 3.167 -6.096 1.00 0.00 H new ATOM 469 N ALA A 34 7.920 2.076 -7.859 1.00 0.00 N ATOM 470 CA ALA A 34 8.682 1.991 -9.099 1.00 0.00 C ATOM 471 C ALA A 34 9.436 3.289 -9.373 1.00 0.00 C ATOM 472 O ALA A 34 9.693 3.638 -10.525 1.00 0.00 O ATOM 473 CB ALA A 34 7.760 1.660 -10.263 1.00 0.00 C ATOM 0 H ALA A 34 8.180 1.384 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 34 9.415 1.192 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.342 1.600 -11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.271 0.703 -10.079 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.005 2.440 -10.362 1.00 0.00 H new ATOM 479 N GLY A 35 9.788 4.001 -8.306 1.00 0.00 N ATOM 480 CA GLY A 35 10.509 5.251 -8.453 1.00 0.00 C ATOM 481 C GLY A 35 9.752 6.264 -9.290 1.00 0.00 C ATOM 482 O GLY A 35 10.356 7.078 -9.988 1.00 0.00 O ATOM 0 H GLY A 35 9.586 3.734 -7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.704 5.672 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.478 5.056 -8.913 1.00 0.00 H new ATOM 486 N GLN A 36 8.426 6.214 -9.220 1.00 0.00 N ATOM 487 CA GLN A 36 7.585 7.134 -9.976 1.00 0.00 C ATOM 488 C GLN A 36 6.533 7.774 -9.076 1.00 0.00 C ATOM 489 O GLN A 36 6.611 8.962 -8.761 1.00 0.00 O ATOM 490 CB GLN A 36 6.905 6.402 -11.135 1.00 0.00 C ATOM 491 CG GLN A 36 7.710 6.419 -12.423 1.00 0.00 C ATOM 492 CD GLN A 36 6.896 5.986 -13.626 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.606 6.785 -14.516 1.00 0.00 O ATOM 494 NE2 GLN A 36 6.522 4.712 -13.659 1.00 0.00 N ATOM 0 H GLN A 36 7.911 5.546 -8.647 1.00 0.00 H new ATOM 0 HA GLN A 36 8.222 7.922 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.724 5.367 -10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.931 6.856 -11.319 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.095 7.424 -12.593 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.572 5.761 -12.317 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.784 4.084 -12.900 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.972 4.362 -14.444 1.00 0.00 H new ATOM 503 N LYS A 37 5.551 6.980 -8.665 1.00 0.00 N ATOM 504 CA LYS A 37 4.483 7.469 -7.800 1.00 0.00 C ATOM 505 C LYS A 37 4.994 7.700 -6.382 1.00 0.00 C ATOM 506 O LYS A 37 5.661 6.840 -5.805 1.00 0.00 O ATOM 507 CB LYS A 37 3.318 6.478 -7.781 1.00 0.00 C ATOM 508 CG LYS A 37 2.542 6.426 -9.086 1.00 0.00 C ATOM 509 CD LYS A 37 1.492 5.328 -9.067 1.00 0.00 C ATOM 510 CE LYS A 37 0.115 5.879 -8.734 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.971 4.950 -9.153 1.00 0.00 N ATOM 0 H LYS A 37 5.472 5.995 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 37 4.133 8.421 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.702 5.483 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.637 6.746 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.061 7.388 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.231 6.257 -9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.462 4.835 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.769 4.571 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.045 6.058 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.020 6.841 -9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.826 5.141 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.179 5.092 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.667 3.968 -8.997 1.00 0.00 H new ATOM 525 N VAL A 38 4.675 8.863 -5.825 1.00 0.00 N ATOM 526 CA VAL A 38 5.101 9.206 -4.474 1.00 0.00 C ATOM 527 C VAL A 38 3.947 9.078 -3.486 1.00 0.00 C ATOM 528 O VAL A 38 2.903 9.709 -3.651 1.00 0.00 O ATOM 529 CB VAL A 38 5.662 10.639 -4.407 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.282 10.907 -3.043 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.677 10.867 -5.517 1.00 0.00 C ATOM 0 H VAL A 38 4.123 9.584 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 38 5.889 8.503 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 38 4.839 11.339 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.673 11.924 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.524 10.788 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.094 10.201 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.063 11.885 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.499 10.160 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.197 10.720 -6.485 1.00 0.00 H new ATOM 541 N GLY A 39 4.142 8.258 -2.458 1.00 0.00 N ATOM 542 CA GLY A 39 3.108 8.063 -1.459 1.00 0.00 C ATOM 543 C GLY A 39 3.677 7.767 -0.086 1.00 0.00 C ATOM 544 O GLY A 39 4.870 7.501 0.055 1.00 0.00 O ATOM 0 H GLY A 39 4.997 7.725 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.485 8.956 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.461 7.241 -1.766 1.00 0.00 H new ATOM 548 N THR A 40 2.821 7.812 0.930 1.00 0.00 N ATOM 549 CA THR A 40 3.244 7.546 2.299 1.00 0.00 C ATOM 550 C THR A 40 2.945 6.102 2.690 1.00 0.00 C ATOM 551 O THR A 40 1.798 5.658 2.637 1.00 0.00 O ATOM 552 CB THR A 40 2.546 8.503 3.266 1.00 0.00 C ATOM 553 OG1 THR A 40 2.350 9.770 2.664 1.00 0.00 O ATOM 554 CG2 THR A 40 3.312 8.720 4.552 1.00 0.00 C ATOM 0 H THR A 40 1.830 8.030 0.830 1.00 0.00 H new ATOM 0 HA THR A 40 4.321 7.704 2.357 1.00 0.00 H new ATOM 0 HB THR A 40 1.595 8.028 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.901 10.367 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.761 9.409 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.436 7.767 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.292 9.140 4.325 1.00 0.00 H new ATOM 562 N LEU A 41 3.986 5.373 3.081 1.00 0.00 N ATOM 563 CA LEU A 41 3.835 3.978 3.480 1.00 0.00 C ATOM 564 C LEU A 41 2.992 3.862 4.745 1.00 0.00 C ATOM 565 O LEU A 41 3.317 4.448 5.777 1.00 0.00 O ATOM 566 CB LEU A 41 5.208 3.341 3.707 1.00 0.00 C ATOM 567 CG LEU A 41 5.176 1.888 4.182 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.571 0.990 3.114 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.576 1.417 4.546 1.00 0.00 C ATOM 0 H LEU A 41 4.942 5.725 3.130 1.00 0.00 H new ATOM 0 HA LEU A 41 3.324 3.448 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.773 3.391 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.751 3.936 4.442 1.00 0.00 H new ATOM 0 HG LEU A 41 4.550 1.830 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.557 -0.040 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.553 1.314 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.170 1.051 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.535 0.381 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.223 1.490 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.974 2.042 5.345 1.00 0.00 H new ATOM 581 N ARG A 42 1.906 3.098 4.659 1.00 0.00 N ATOM 582 CA ARG A 42 1.016 2.902 5.797 1.00 0.00 C ATOM 583 C ARG A 42 0.983 1.436 6.215 1.00 0.00 C ATOM 584 O ARG A 42 1.172 1.110 7.387 1.00 0.00 O ATOM 585 CB ARG A 42 -0.396 3.378 5.454 1.00 0.00 C ATOM 586 CG ARG A 42 -0.463 4.842 5.048 1.00 0.00 C ATOM 587 CD ARG A 42 -0.242 5.763 6.238 1.00 0.00 C ATOM 588 NE ARG A 42 -1.294 6.769 6.355 1.00 0.00 N ATOM 589 CZ ARG A 42 -2.490 6.534 6.891 1.00 0.00 C ATOM 590 NH1 ARG A 42 -2.791 5.329 7.360 1.00 0.00 N ATOM 591 NH2 ARG A 42 -3.390 7.507 6.958 1.00 0.00 N ATOM 0 H ARG A 42 1.622 2.605 3.812 1.00 0.00 H new ATOM 0 HA ARG A 42 1.398 3.491 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.790 2.766 4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.044 3.219 6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.290 5.044 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.434 5.052 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.204 5.171 7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.724 6.258 6.138 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.101 7.708 6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.104 4.576 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.709 5.156 7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.166 8.435 6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.306 7.327 7.369 1.00 0.00 H new ATOM 605 N PHE A 43 0.742 0.555 5.249 1.00 0.00 N ATOM 606 CA PHE A 43 0.684 -0.877 5.516 1.00 0.00 C ATOM 607 C PHE A 43 1.675 -1.635 4.639 1.00 0.00 C ATOM 608 O PHE A 43 1.891 -1.281 3.481 1.00 0.00 O ATOM 609 CB PHE A 43 -0.732 -1.404 5.278 1.00 0.00 C ATOM 610 CG PHE A 43 -0.888 -2.867 5.581 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.641 -3.819 4.605 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.282 -3.290 6.840 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.783 -5.166 4.880 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.426 -4.636 7.121 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.176 -5.574 6.139 1.00 0.00 C ATOM 0 H PHE A 43 0.584 0.808 4.274 1.00 0.00 H new ATOM 0 HA PHE A 43 0.954 -1.038 6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.430 -0.837 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.007 -1.225 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.334 -3.505 3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.479 -2.560 7.611 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.587 -5.898 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.733 -4.953 8.107 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.288 -6.626 6.356 1.00 0.00 H new ATOM 625 N CYS A 44 2.274 -2.681 5.200 1.00 0.00 N ATOM 626 CA CYS A 44 3.243 -3.490 4.469 1.00 0.00 C ATOM 627 C CYS A 44 3.043 -4.974 4.759 1.00 0.00 C ATOM 628 O CYS A 44 2.873 -5.374 5.911 1.00 0.00 O ATOM 629 CB CYS A 44 4.668 -3.074 4.839 1.00 0.00 C ATOM 630 SG CYS A 44 4.995 -3.060 6.617 1.00 0.00 S ATOM 0 H CYS A 44 2.105 -2.988 6.158 1.00 0.00 H new ATOM 0 HA CYS A 44 3.088 -3.323 3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.370 -3.754 4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.860 -2.079 4.437 1.00 0.00 H new ATOM 0 HG CYS A 44 4.309 -4.003 7.192 1.00 0.00 H new ATOM 636 N GLY A 45 3.061 -5.785 3.707 1.00 0.00 N ATOM 637 CA GLY A 45 2.880 -7.216 3.870 1.00 0.00 C ATOM 638 C GLY A 45 2.203 -7.855 2.674 1.00 0.00 C ATOM 639 O GLY A 45 2.422 -7.443 1.535 1.00 0.00 O ATOM 0 H GLY A 45 3.198 -5.477 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.851 -7.686 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.285 -7.404 4.764 1.00 0.00 H new ATOM 643 N THR A 46 1.378 -8.865 2.933 1.00 0.00 N ATOM 644 CA THR A 46 0.667 -9.563 1.868 1.00 0.00 C ATOM 645 C THR A 46 -0.777 -9.081 1.771 1.00 0.00 C ATOM 646 O THR A 46 -1.326 -8.537 2.730 1.00 0.00 O ATOM 647 CB THR A 46 0.698 -11.073 2.109 1.00 0.00 C ATOM 648 OG1 THR A 46 0.559 -11.364 3.489 1.00 0.00 O ATOM 649 CG2 THR A 46 1.972 -11.731 1.625 1.00 0.00 C ATOM 0 H THR A 46 1.186 -9.218 3.870 1.00 0.00 H new ATOM 0 HA THR A 46 1.169 -9.343 0.926 1.00 0.00 H new ATOM 0 HB THR A 46 -0.138 -11.474 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.580 -12.335 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.928 -12.801 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.081 -11.568 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.826 -11.298 2.146 1.00 0.00 H new ATOM 657 N THR A 47 -1.387 -9.285 0.609 1.00 0.00 N ATOM 658 CA THR A 47 -2.767 -8.871 0.387 1.00 0.00 C ATOM 659 C THR A 47 -3.697 -10.079 0.343 1.00 0.00 C ATOM 660 O THR A 47 -3.243 -11.222 0.287 1.00 0.00 O ATOM 661 CB THR A 47 -2.882 -8.077 -0.916 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.065 -8.648 -1.923 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.483 -6.625 -0.768 1.00 0.00 C ATOM 0 H THR A 47 -0.947 -9.735 -0.194 1.00 0.00 H new ATOM 0 HA THR A 47 -3.066 -8.234 1.219 1.00 0.00 H new ATOM 0 HB THR A 47 -3.936 -8.120 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.352 -8.019 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.588 -6.119 -1.728 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.127 -6.144 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.446 -6.564 -0.437 1.00 0.00 H new ATOM 671 N GLU A 48 -5.000 -9.818 0.368 1.00 0.00 N ATOM 672 CA GLU A 48 -5.994 -10.885 0.331 1.00 0.00 C ATOM 673 C GLU A 48 -6.553 -11.058 -1.077 1.00 0.00 C ATOM 674 O GLU A 48 -6.902 -12.166 -1.486 1.00 0.00 O ATOM 675 CB GLU A 48 -7.129 -10.587 1.313 1.00 0.00 C ATOM 676 CG GLU A 48 -6.926 -11.207 2.685 1.00 0.00 C ATOM 677 CD GLU A 48 -7.466 -12.621 2.771 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.992 -13.485 2.005 1.00 0.00 O ATOM 679 OE2 GLU A 48 -8.364 -12.863 3.606 1.00 0.00 O ATOM 0 H GLU A 48 -5.392 -8.877 0.414 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.506 -11.814 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.229 -9.507 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.066 -10.953 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.862 -11.213 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.417 -10.588 3.436 1.00 0.00 H new ATOM 686 N PHE A 49 -6.638 -9.956 -1.815 1.00 0.00 N ATOM 687 CA PHE A 49 -7.155 -9.985 -3.178 1.00 0.00 C ATOM 688 C PHE A 49 -6.125 -10.568 -4.140 1.00 0.00 C ATOM 689 O PHE A 49 -6.449 -11.411 -4.977 1.00 0.00 O ATOM 690 CB PHE A 49 -7.552 -8.577 -3.627 1.00 0.00 C ATOM 691 CG PHE A 49 -6.393 -7.626 -3.718 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.962 -6.928 -2.601 1.00 0.00 C ATOM 693 CD2 PHE A 49 -5.734 -7.429 -4.921 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.896 -6.053 -2.682 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.668 -6.555 -5.009 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.248 -5.866 -3.887 1.00 0.00 C ATOM 0 H PHE A 49 -6.355 -9.031 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.038 -10.624 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.038 -8.639 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.287 -8.176 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.465 -7.070 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.058 -7.965 -5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.570 -5.516 -1.804 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.164 -6.410 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.414 -5.182 -3.953 1.00 0.00 H new ATOM 706 N ALA A 50 -4.882 -10.114 -4.014 1.00 0.00 N ATOM 707 CA ALA A 50 -3.804 -10.589 -4.872 1.00 0.00 C ATOM 708 C ALA A 50 -2.839 -11.480 -4.096 1.00 0.00 C ATOM 709 O ALA A 50 -3.059 -11.777 -2.922 1.00 0.00 O ATOM 710 CB ALA A 50 -3.061 -9.412 -5.486 1.00 0.00 C ATOM 0 H ALA A 50 -4.597 -9.417 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.244 -11.184 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.258 -9.781 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.753 -8.815 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.639 -8.795 -4.693 1.00 0.00 H new ATOM 716 N SER A 51 -1.769 -11.903 -4.761 1.00 0.00 N ATOM 717 CA SER A 51 -0.769 -12.762 -4.134 1.00 0.00 C ATOM 718 C SER A 51 0.624 -12.154 -4.260 1.00 0.00 C ATOM 719 O SER A 51 1.025 -11.712 -5.336 1.00 0.00 O ATOM 720 CB SER A 51 -0.790 -14.153 -4.770 1.00 0.00 C ATOM 721 OG SER A 51 -0.566 -15.160 -3.799 1.00 0.00 O ATOM 0 H SER A 51 -1.571 -11.666 -5.733 1.00 0.00 H new ATOM 0 HA SER A 51 -1.014 -12.851 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.751 -14.320 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.026 -14.214 -5.545 1.00 0.00 H new ATOM 0 HG SER A 51 -0.586 -16.040 -4.230 1.00 0.00 H new ATOM 727 N GLY A 52 1.358 -12.134 -3.151 1.00 0.00 N ATOM 728 CA GLY A 52 2.699 -11.578 -3.158 1.00 0.00 C ATOM 729 C GLY A 52 2.879 -10.488 -2.120 1.00 0.00 C ATOM 730 O GLY A 52 2.006 -10.270 -1.280 1.00 0.00 O ATOM 0 H GLY A 52 1.048 -12.493 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.420 -12.374 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.916 -11.174 -4.147 1.00 0.00 H new ATOM 734 N GLN A 53 4.016 -9.803 -2.177 1.00 0.00 N ATOM 735 CA GLN A 53 4.310 -8.730 -1.234 1.00 0.00 C ATOM 736 C GLN A 53 3.770 -7.396 -1.741 1.00 0.00 C ATOM 737 O GLN A 53 4.154 -6.928 -2.813 1.00 0.00 O ATOM 738 CB GLN A 53 5.819 -8.627 -1.001 1.00 0.00 C ATOM 739 CG GLN A 53 6.403 -9.823 -0.268 1.00 0.00 C ATOM 740 CD GLN A 53 6.304 -9.689 1.240 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.272 -9.325 1.907 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.128 -9.984 1.783 1.00 0.00 N ATOM 0 H GLN A 53 4.749 -9.972 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 53 3.818 -8.965 -0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.321 -8.520 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.029 -7.723 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.883 -10.727 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.449 -9.942 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.353 -10.282 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.000 -9.913 2.792 1.00 0.00 H new ATOM 751 N TRP A 54 2.879 -6.791 -0.963 1.00 0.00 N ATOM 752 CA TRP A 54 2.286 -5.511 -1.333 1.00 0.00 C ATOM 753 C TRP A 54 2.356 -4.524 -0.172 1.00 0.00 C ATOM 754 O TRP A 54 2.861 -4.848 0.902 1.00 0.00 O ATOM 755 CB TRP A 54 0.832 -5.705 -1.767 1.00 0.00 C ATOM 756 CG TRP A 54 0.677 -6.647 -2.921 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.619 -8.009 -2.864 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.561 -6.297 -4.304 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.473 -8.529 -4.128 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.435 -7.497 -5.029 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.550 -5.085 -5.001 1.00 0.00 C ATOM 762 CZ2 TRP A 54 0.301 -7.520 -6.415 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.417 -5.109 -6.378 1.00 0.00 C ATOM 764 CH2 TRP A 54 0.293 -6.319 -7.071 1.00 0.00 C ATOM 0 H TRP A 54 2.552 -7.166 -0.073 1.00 0.00 H new ATOM 0 HA TRP A 54 2.855 -5.103 -2.168 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.255 -6.080 -0.922 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.409 -4.738 -2.038 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.679 -8.593 -1.958 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.404 -9.520 -4.358 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.644 -4.147 -4.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.207 -8.452 -6.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.409 -4.179 -6.927 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.189 -6.304 -8.146 1.00 0.00 H new ATOM 775 N ALA A 55 1.844 -3.317 -0.396 1.00 0.00 N ATOM 776 CA ALA A 55 1.849 -2.283 0.631 1.00 0.00 C ATOM 777 C ALA A 55 0.754 -1.253 0.379 1.00 0.00 C ATOM 778 O ALA A 55 0.615 -0.738 -0.731 1.00 0.00 O ATOM 779 CB ALA A 55 3.210 -1.605 0.692 1.00 0.00 C ATOM 0 H ALA A 55 1.421 -3.032 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 55 1.649 -2.759 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.199 -0.835 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.975 -2.345 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.433 -1.149 -0.273 1.00 0.00 H new ATOM 785 N GLY A 56 -0.023 -0.956 1.416 1.00 0.00 N ATOM 786 CA GLY A 56 -1.096 0.012 1.285 1.00 0.00 C ATOM 787 C GLY A 56 -0.612 1.440 1.442 1.00 0.00 C ATOM 788 O GLY A 56 -0.688 2.013 2.528 1.00 0.00 O ATOM 0 H GLY A 56 0.071 -1.368 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.568 -0.103 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.860 -0.194 2.035 1.00 0.00 H new ATOM 792 N ILE A 57 -0.114 2.015 0.352 1.00 0.00 N ATOM 793 CA ILE A 57 0.385 3.385 0.373 1.00 0.00 C ATOM 794 C ILE A 57 -0.755 4.386 0.220 1.00 0.00 C ATOM 795 O ILE A 57 -1.790 4.077 -0.372 1.00 0.00 O ATOM 796 CB ILE A 57 1.417 3.625 -0.747 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.476 2.521 -0.739 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.067 4.991 -0.584 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.256 2.424 -2.033 1.00 0.00 C ATOM 0 H ILE A 57 -0.045 1.554 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 57 0.868 3.531 1.339 1.00 0.00 H new ATOM 0 HB ILE A 57 0.902 3.602 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.170 2.700 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.991 1.565 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.793 5.146 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.302 5.766 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.572 5.041 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.989 1.621 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.572 2.214 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.769 3.367 -2.220 1.00 0.00 H new ATOM 811 N GLU A 58 -0.559 5.586 0.756 1.00 0.00 N ATOM 812 CA GLU A 58 -1.570 6.633 0.678 1.00 0.00 C ATOM 813 C GLU A 58 -1.017 7.874 -0.015 1.00 0.00 C ATOM 814 O GLU A 58 -0.269 8.649 0.579 1.00 0.00 O ATOM 815 CB GLU A 58 -2.066 6.996 2.080 1.00 0.00 C ATOM 816 CG GLU A 58 -3.421 7.686 2.086 1.00 0.00 C ATOM 817 CD GLU A 58 -3.315 9.181 1.856 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.512 9.834 2.556 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.034 9.698 0.976 1.00 0.00 O ATOM 0 H GLU A 58 0.292 5.857 1.249 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.406 6.253 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.127 6.089 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.334 7.647 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.052 7.247 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.914 7.503 3.041 1.00 0.00 H new ATOM 826 N LEU A 59 -1.391 8.055 -1.278 1.00 0.00 N ATOM 827 CA LEU A 59 -0.933 9.201 -2.054 1.00 0.00 C ATOM 828 C LEU A 59 -1.484 10.503 -1.480 1.00 0.00 C ATOM 829 O LEU A 59 -2.623 10.555 -1.018 1.00 0.00 O ATOM 830 CB LEU A 59 -1.356 9.056 -3.517 1.00 0.00 C ATOM 831 CG LEU A 59 -0.949 7.740 -4.181 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.434 7.698 -5.622 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.559 7.557 -4.118 1.00 0.00 C ATOM 0 H LEU A 59 -2.010 7.422 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 59 0.155 9.233 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.440 9.156 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.927 9.881 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.418 6.919 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.136 6.755 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.520 7.784 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.994 8.526 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.832 6.616 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.048 8.382 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.881 7.542 -3.077 1.00 0.00 H new ATOM 845 N ASP A 60 -0.666 11.550 -1.511 1.00 0.00 N ATOM 846 CA ASP A 60 -1.072 12.851 -0.994 1.00 0.00 C ATOM 847 C ASP A 60 -2.214 13.433 -1.821 1.00 0.00 C ATOM 848 O ASP A 60 -3.064 14.156 -1.301 1.00 0.00 O ATOM 849 CB ASP A 60 0.116 13.815 -0.992 1.00 0.00 C ATOM 850 CG ASP A 60 0.149 14.690 0.245 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.069 14.140 1.364 1.00 0.00 O ATOM 852 OD2 ASP A 60 0.254 15.926 0.097 1.00 0.00 O ATOM 0 H ASP A 60 0.281 11.523 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.422 12.715 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.043 13.245 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.069 14.447 -1.879 1.00 0.00 H new ATOM 857 N GLU A 61 -2.227 13.113 -3.111 1.00 0.00 N ATOM 858 CA GLU A 61 -3.265 13.604 -4.009 1.00 0.00 C ATOM 859 C GLU A 61 -4.211 12.477 -4.416 1.00 0.00 C ATOM 860 O GLU A 61 -3.875 11.299 -4.296 1.00 0.00 O ATOM 861 CB GLU A 61 -2.635 14.231 -5.255 1.00 0.00 C ATOM 862 CG GLU A 61 -2.299 15.705 -5.090 1.00 0.00 C ATOM 863 CD GLU A 61 -0.917 16.050 -5.607 1.00 0.00 C ATOM 864 OE1 GLU A 61 -0.480 15.423 -6.596 1.00 0.00 O ATOM 865 OE2 GLU A 61 -0.272 16.946 -5.025 1.00 0.00 O ATOM 0 H GLU A 61 -1.531 12.516 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.840 14.363 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.725 13.685 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.319 14.115 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.040 16.304 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.366 15.973 -4.036 1.00 0.00 H new ATOM 872 N PRO A 62 -5.414 12.825 -4.906 1.00 0.00 N ATOM 873 CA PRO A 62 -6.410 11.836 -5.331 1.00 0.00 C ATOM 874 C PRO A 62 -5.995 11.108 -6.605 1.00 0.00 C ATOM 875 O PRO A 62 -6.432 11.456 -7.702 1.00 0.00 O ATOM 876 CB PRO A 62 -7.663 12.677 -5.580 1.00 0.00 C ATOM 877 CG PRO A 62 -7.149 14.038 -5.898 1.00 0.00 C ATOM 878 CD PRO A 62 -5.895 14.207 -5.084 1.00 0.00 C ATOM 0 HA PRO A 62 -6.549 11.052 -4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.253 12.274 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.310 12.693 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.939 14.137 -6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.884 14.802 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.161 14.825 -5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.099 14.688 -4.127 1.00 0.00 H new ATOM 886 N GLU A 63 -5.148 10.094 -6.453 1.00 0.00 N ATOM 887 CA GLU A 63 -4.674 9.316 -7.592 1.00 0.00 C ATOM 888 C GLU A 63 -4.579 7.836 -7.237 1.00 0.00 C ATOM 889 O GLU A 63 -3.734 7.114 -7.766 1.00 0.00 O ATOM 890 CB GLU A 63 -3.310 9.834 -8.057 1.00 0.00 C ATOM 891 CG GLU A 63 -3.213 10.022 -9.562 1.00 0.00 C ATOM 892 CD GLU A 63 -1.874 9.578 -10.119 1.00 0.00 C ATOM 893 OE1 GLU A 63 -0.906 10.363 -10.036 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.794 8.446 -10.639 1.00 0.00 O ATOM 0 H GLU A 63 -4.776 9.792 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.392 9.429 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.105 10.785 -7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.537 9.136 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.009 9.458 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.373 11.073 -9.805 1.00 0.00 H new ATOM 901 N GLY A 64 -5.452 7.390 -6.339 1.00 0.00 N ATOM 902 CA GLY A 64 -5.448 5.999 -5.929 1.00 0.00 C ATOM 903 C GLY A 64 -6.679 5.251 -6.405 1.00 0.00 C ATOM 904 O GLY A 64 -7.736 5.848 -6.606 1.00 0.00 O ATOM 0 H GLY A 64 -6.162 7.968 -5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.556 5.510 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.391 5.944 -4.842 1.00 0.00 H new ATOM 908 N LYS A 65 -6.540 3.942 -6.586 1.00 0.00 N ATOM 909 CA LYS A 65 -7.648 3.112 -7.042 1.00 0.00 C ATOM 910 C LYS A 65 -8.325 2.411 -5.868 1.00 0.00 C ATOM 911 O LYS A 65 -8.767 1.269 -5.985 1.00 0.00 O ATOM 912 CB LYS A 65 -7.154 2.076 -8.054 1.00 0.00 C ATOM 913 CG LYS A 65 -6.310 2.669 -9.170 1.00 0.00 C ATOM 914 CD LYS A 65 -6.626 2.025 -10.511 1.00 0.00 C ATOM 915 CE LYS A 65 -7.599 2.869 -11.318 1.00 0.00 C ATOM 916 NZ LYS A 65 -7.860 2.284 -12.663 1.00 0.00 N ATOM 0 H LYS A 65 -5.671 3.433 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.380 3.761 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.569 1.319 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.014 1.568 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.487 3.743 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.253 2.533 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.704 1.889 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.050 1.034 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.539 2.960 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.198 3.876 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.528 2.889 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.967 2.221 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.267 1.333 -12.555 1.00 0.00 H new ATOM 930 N ASN A 66 -8.401 3.104 -4.737 1.00 0.00 N ATOM 931 CA ASN A 66 -9.024 2.548 -3.541 1.00 0.00 C ATOM 932 C ASN A 66 -9.299 3.639 -2.512 1.00 0.00 C ATOM 933 O ASN A 66 -9.027 4.815 -2.751 1.00 0.00 O ATOM 934 CB ASN A 66 -8.128 1.469 -2.930 1.00 0.00 C ATOM 935 CG ASN A 66 -8.411 0.092 -3.498 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.444 -0.511 -3.211 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.489 -0.413 -4.310 1.00 0.00 N ATOM 0 H ASN A 66 -8.039 4.051 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.975 2.101 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.083 1.725 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.272 1.450 -1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.623 -1.336 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.647 0.122 -4.521 1.00 0.00 H new ATOM 944 N ASN A 67 -9.842 3.240 -1.366 1.00 0.00 N ATOM 945 CA ASN A 67 -10.155 4.184 -0.300 1.00 0.00 C ATOM 946 C ASN A 67 -9.722 3.638 1.057 1.00 0.00 C ATOM 947 O ASN A 67 -10.401 3.836 2.064 1.00 0.00 O ATOM 948 CB ASN A 67 -11.655 4.489 -0.285 1.00 0.00 C ATOM 949 CG ASN A 67 -12.496 3.242 -0.095 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.874 2.899 1.025 1.00 0.00 O ATOM 951 ND2 ASN A 67 -12.795 2.557 -1.192 1.00 0.00 N ATOM 0 H ASN A 67 -10.074 2.270 -1.152 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.605 5.105 -0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.871 5.196 0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.934 4.973 -1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.359 1.710 -1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.460 2.878 -2.101 1.00 0.00 H new ATOM 958 N GLY A 68 -8.586 2.947 1.075 1.00 0.00 N ATOM 959 CA GLY A 68 -8.082 2.383 2.313 1.00 0.00 C ATOM 960 C GLY A 68 -8.422 0.913 2.461 1.00 0.00 C ATOM 961 O GLY A 68 -7.643 0.142 3.021 1.00 0.00 O ATOM 0 H GLY A 68 -8.007 2.768 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.000 2.508 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.497 2.935 3.156 1.00 0.00 H new ATOM 965 N SER A 69 -9.589 0.525 1.958 1.00 0.00 N ATOM 966 CA SER A 69 -10.033 -0.863 2.037 1.00 0.00 C ATOM 967 C SER A 69 -10.208 -1.457 0.644 1.00 0.00 C ATOM 968 O SER A 69 -10.495 -0.741 -0.316 1.00 0.00 O ATOM 969 CB SER A 69 -11.347 -0.957 2.813 1.00 0.00 C ATOM 970 OG SER A 69 -12.427 -0.447 2.051 1.00 0.00 O ATOM 0 H SER A 69 -10.245 1.152 1.491 1.00 0.00 H new ATOM 0 HA SER A 69 -9.268 -1.434 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.543 -1.996 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.262 -0.401 3.747 1.00 0.00 H new ATOM 0 HG SER A 69 -13.256 -0.520 2.569 1.00 0.00 H new ATOM 976 N VAL A 70 -10.033 -2.770 0.539 1.00 0.00 N ATOM 977 CA VAL A 70 -10.173 -3.461 -0.737 1.00 0.00 C ATOM 978 C VAL A 70 -11.283 -4.505 -0.678 1.00 0.00 C ATOM 979 O VAL A 70 -11.087 -5.607 -0.168 1.00 0.00 O ATOM 980 CB VAL A 70 -8.857 -4.149 -1.152 1.00 0.00 C ATOM 981 CG1 VAL A 70 -8.974 -4.730 -2.553 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.693 -3.174 -1.066 1.00 0.00 C ATOM 0 H VAL A 70 -9.794 -3.377 1.323 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.428 -2.705 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.665 -4.969 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.035 -5.211 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.779 -5.465 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.192 -3.931 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.773 -3.678 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.875 -2.330 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.595 -2.814 -0.042 1.00 0.00 H new ATOM 992 N GLY A 71 -12.451 -4.149 -1.204 1.00 0.00 N ATOM 993 CA GLY A 71 -13.575 -5.066 -1.201 1.00 0.00 C ATOM 994 C GLY A 71 -14.125 -5.308 0.191 1.00 0.00 C ATOM 995 O GLY A 71 -14.861 -4.479 0.728 1.00 0.00 O ATOM 0 H GLY A 71 -12.638 -3.242 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.366 -4.668 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.265 -6.016 -1.636 1.00 0.00 H new ATOM 999 N ARG A 72 -13.766 -6.446 0.777 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.229 -6.795 2.115 1.00 0.00 C ATOM 1001 C ARG A 72 -13.103 -6.658 3.136 1.00 0.00 C ATOM 1002 O ARG A 72 -13.347 -6.380 4.310 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.775 -8.224 2.131 1.00 0.00 C ATOM 1004 CG ARG A 72 -15.896 -8.459 1.133 1.00 0.00 C ATOM 1005 CD ARG A 72 -15.356 -8.914 -0.213 1.00 0.00 C ATOM 1006 NE ARG A 72 -16.370 -9.613 -1.001 1.00 0.00 N ATOM 1007 CZ ARG A 72 -17.397 -9.007 -1.592 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -17.551 -7.693 -1.488 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -18.273 -9.716 -2.290 1.00 0.00 N ATOM 0 H ARG A 72 -13.156 -7.141 0.347 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.027 -6.104 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.961 -8.917 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.138 -8.454 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.581 -9.211 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.469 -7.541 1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.996 -8.049 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.501 -9.572 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.285 -10.624 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.880 -7.142 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.340 -7.234 -1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.160 -10.726 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.060 -9.251 -2.743 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.869 -6.854 2.681 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.707 -6.752 3.556 1.00 0.00 C ATOM 1025 C VAL A 73 -10.268 -5.301 3.721 1.00 0.00 C ATOM 1026 O VAL A 73 -10.178 -4.554 2.747 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.524 -7.576 3.016 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.392 -7.617 4.032 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.974 -8.982 2.652 1.00 0.00 C ATOM 0 H VAL A 73 -11.649 -7.084 1.712 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.006 -7.151 4.526 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.152 -7.093 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.565 -8.204 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.051 -6.602 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.748 -8.074 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.124 -9.549 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.374 -9.477 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.747 -8.930 1.885 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.993 -4.909 4.962 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.560 -3.548 5.256 1.00 0.00 C ATOM 1041 C GLN A 74 -8.093 -3.523 5.670 1.00 0.00 C ATOM 1042 O GLN A 74 -7.613 -4.433 6.345 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.426 -2.944 6.363 1.00 0.00 C ATOM 1044 CG GLN A 74 -10.080 -1.499 6.686 1.00 0.00 C ATOM 1045 CD GLN A 74 -11.153 -0.527 6.235 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -12.307 -0.907 6.035 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -10.777 0.736 6.073 1.00 0.00 N ATOM 0 H GLN A 74 -10.063 -5.515 5.779 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.673 -2.952 4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.473 -3.000 6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.318 -3.545 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.931 -1.397 7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.136 -1.240 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.810 1.007 6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.455 1.435 5.771 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.385 -2.475 5.259 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.970 -2.333 5.588 1.00 0.00 C ATOM 1058 C TYR A 75 -5.715 -1.037 6.351 1.00 0.00 C ATOM 1059 O TYR A 75 -5.377 -1.058 7.534 1.00 0.00 O ATOM 1060 CB TYR A 75 -5.126 -2.364 4.313 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.408 -3.558 3.428 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.639 -3.706 2.803 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.444 -4.536 3.220 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.902 -4.796 1.995 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.699 -5.628 2.413 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.928 -5.754 1.803 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.186 -6.840 0.998 1.00 0.00 O ATOM 0 H TYR A 75 -7.767 -1.713 4.699 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.684 -3.169 6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.307 -1.451 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.071 -2.366 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.403 -2.957 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.480 -4.441 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.865 -4.897 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.938 -6.380 2.261 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.549 -6.854 0.253 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.881 0.090 5.666 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.669 1.395 6.281 1.00 0.00 C ATOM 1079 C PHE A 76 -6.819 2.343 5.957 1.00 0.00 C ATOM 1080 O PHE A 76 -7.578 2.115 5.015 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.346 1.998 5.806 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.280 2.206 4.319 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -4.041 1.140 3.467 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.458 3.467 3.774 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.980 1.327 2.099 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.398 3.662 2.407 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.159 2.590 1.569 1.00 0.00 C ATOM 0 H PHE A 76 -6.161 0.126 4.686 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.630 1.257 7.361 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.192 2.954 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.528 1.344 6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.901 0.151 3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.646 4.308 4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.793 0.488 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.538 4.650 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.112 2.739 0.500 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.943 3.407 6.743 1.00 0.00 N ATOM 1098 CA LYS A 77 -8.001 4.390 6.540 1.00 0.00 C ATOM 1099 C LYS A 77 -7.476 5.606 5.784 1.00 0.00 C ATOM 1100 O LYS A 77 -6.352 6.056 6.015 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.588 4.824 7.883 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.341 3.717 8.604 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.401 2.836 9.413 1.00 0.00 C ATOM 1104 CE LYS A 77 -8.524 3.109 10.903 1.00 0.00 C ATOM 1105 NZ LYS A 77 -9.557 2.248 11.542 1.00 0.00 N ATOM 0 H LYS A 77 -6.323 3.611 7.527 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.785 3.924 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.782 5.181 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.262 5.665 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.089 4.155 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.877 3.107 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.623 1.787 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.373 3.010 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.561 2.938 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.777 4.157 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.610 2.465 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.481 2.429 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.302 1.248 11.415 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.295 6.135 4.882 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.913 7.300 4.091 1.00 0.00 C ATOM 1121 C CYS A 78 -9.083 7.790 3.245 1.00 0.00 C ATOM 1122 O CYS A 78 -10.128 7.143 3.177 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.722 6.964 3.193 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.036 5.622 2.022 1.00 0.00 S ATOM 0 H CYS A 78 -9.228 5.776 4.680 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.627 8.097 4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.436 7.857 2.637 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.873 6.693 3.820 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.291 4.600 2.323 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.900 8.937 2.601 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.939 9.516 1.757 1.00 0.00 C ATOM 1132 C ALA A 79 -10.199 8.645 0.531 1.00 0.00 C ATOM 1133 O ALA A 79 -9.393 7.777 0.195 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.550 10.924 1.335 1.00 0.00 C ATOM 0 H ALA A 79 -8.041 9.485 2.647 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.861 9.564 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.334 11.345 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.422 11.547 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.615 10.891 0.776 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.331 8.867 -0.158 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.692 8.099 -1.354 1.00 0.00 C ATOM 1142 C PRO A 80 -10.779 8.408 -2.535 1.00 0.00 C ATOM 1143 O PRO A 80 -10.415 9.561 -2.765 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.124 8.550 -1.651 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.227 9.907 -1.047 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.347 9.885 0.173 1.00 0.00 C ATOM 0 HA PRO A 80 -11.597 7.025 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.315 8.579 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.853 7.866 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.900 10.673 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.258 10.138 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.894 10.859 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.908 9.617 1.068 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.412 7.371 -3.281 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.539 7.533 -4.438 1.00 0.00 C ATOM 1156 C LYS A 81 -8.186 8.103 -4.021 1.00 0.00 C ATOM 1157 O LYS A 81 -7.619 8.951 -4.710 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.195 8.449 -5.474 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.579 7.988 -5.902 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.524 7.189 -7.193 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.914 6.794 -7.663 1.00 0.00 C ATOM 1162 NZ LYS A 81 -13.387 5.542 -7.010 1.00 0.00 N ATOM 0 H LYS A 81 -10.705 6.410 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.378 6.551 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.267 9.456 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.553 8.509 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.021 7.378 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.227 8.854 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.031 7.778 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.921 6.293 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.613 7.602 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.907 6.659 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.339 5.307 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.734 4.765 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.419 5.679 -5.980 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.676 7.631 -2.888 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.390 8.093 -2.378 1.00 0.00 C ATOM 1178 C TYR A 82 -5.477 6.915 -2.054 1.00 0.00 C ATOM 1179 O TYR A 82 -4.297 6.917 -2.403 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.593 8.954 -1.130 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.844 10.414 -1.435 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.791 11.273 -1.726 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.133 10.933 -1.433 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -6.016 12.607 -2.006 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.365 12.266 -1.712 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.303 13.099 -1.997 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.532 14.427 -2.275 1.00 0.00 O ATOM 0 H TYR A 82 -8.133 6.929 -2.306 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.915 8.694 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.435 8.561 -0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.712 8.871 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.781 10.892 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.967 10.284 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.187 13.261 -2.231 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.373 12.654 -1.707 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.494 14.610 -2.228 1.00 0.00 H new ATOM 1197 N GLY A 83 -6.032 5.909 -1.385 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.253 4.738 -1.026 1.00 0.00 C ATOM 1199 C GLY A 83 -4.991 3.830 -2.210 1.00 0.00 C ATOM 1200 O GLY A 83 -5.875 3.606 -3.037 1.00 0.00 O ATOM 0 H GLY A 83 -7.007 5.884 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.302 5.055 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.779 4.179 -0.253 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.773 3.305 -2.293 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.395 2.416 -3.384 1.00 0.00 C ATOM 1206 C ILE A 84 -2.435 1.333 -2.902 1.00 0.00 C ATOM 1207 O ILE A 84 -1.772 1.490 -1.877 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.740 3.197 -4.542 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.447 2.264 -5.720 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.466 3.881 -4.071 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.174 2.994 -7.016 1.00 0.00 C ATOM 0 H ILE A 84 -3.030 3.481 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.310 1.948 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.437 3.965 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.586 1.642 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.295 1.594 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.018 4.427 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.703 4.576 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.763 3.131 -3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.975 2.270 -7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.043 3.595 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.308 3.644 -6.892 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.367 0.234 -3.646 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.487 -0.876 -3.293 1.00 0.00 C ATOM 1225 C PHE A 85 -0.487 -1.156 -4.411 1.00 0.00 C ATOM 1226 O PHE A 85 -0.838 -1.132 -5.591 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.310 -2.133 -3.003 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.106 -2.051 -1.732 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.221 -1.232 -1.650 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.739 -2.791 -0.620 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -4.956 -1.154 -0.482 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.470 -2.718 0.551 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.580 -1.898 0.619 1.00 0.00 C ATOM 0 H PHE A 85 -2.910 0.087 -4.497 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.933 -0.597 -2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.989 -2.313 -3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.640 -2.991 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.519 -0.648 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.872 -3.433 -0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.823 -0.512 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.174 -3.301 1.411 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.153 -1.839 1.532 1.00 0.00 H new ATOM 1243 N ALA A 86 0.758 -1.420 -4.030 1.00 0.00 N ATOM 1244 CA ALA A 86 1.809 -1.706 -4.998 1.00 0.00 C ATOM 1245 C ALA A 86 2.813 -2.710 -4.436 1.00 0.00 C ATOM 1246 O ALA A 86 3.003 -2.795 -3.223 1.00 0.00 O ATOM 1247 CB ALA A 86 2.514 -0.422 -5.405 1.00 0.00 C ATOM 0 H ALA A 86 1.064 -1.442 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 86 1.347 -2.149 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.297 -0.650 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.794 0.262 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.958 0.044 -4.525 1.00 0.00 H new ATOM 1253 N PRO A 87 3.469 -3.489 -5.314 1.00 0.00 N ATOM 1254 CA PRO A 87 4.455 -4.490 -4.896 1.00 0.00 C ATOM 1255 C PRO A 87 5.592 -3.879 -4.083 1.00 0.00 C ATOM 1256 O PRO A 87 6.322 -3.018 -4.568 1.00 0.00 O ATOM 1257 CB PRO A 87 4.988 -5.052 -6.218 1.00 0.00 C ATOM 1258 CG PRO A 87 3.930 -4.746 -7.221 1.00 0.00 C ATOM 1259 CD PRO A 87 3.302 -3.456 -6.778 1.00 0.00 C ATOM 0 HA PRO A 87 4.012 -5.246 -4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.936 -4.588 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.167 -6.125 -6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.355 -4.650 -8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.190 -5.546 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.799 -2.593 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.251 -3.400 -7.063 1.00 0.00 H new ATOM 1267 N LEU A 88 5.729 -4.331 -2.836 1.00 0.00 N ATOM 1268 CA LEU A 88 6.778 -3.830 -1.954 1.00 0.00 C ATOM 1269 C LEU A 88 8.117 -3.851 -2.672 1.00 0.00 C ATOM 1270 O LEU A 88 8.868 -2.876 -2.649 1.00 0.00 O ATOM 1271 CB LEU A 88 6.851 -4.671 -0.677 1.00 0.00 C ATOM 1272 CG LEU A 88 7.359 -3.928 0.560 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.405 -2.805 0.936 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.536 -4.892 1.724 1.00 0.00 C ATOM 0 H LEU A 88 5.128 -5.041 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 88 6.540 -2.803 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.858 -5.065 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.501 -5.527 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 88 8.329 -3.490 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.782 -2.287 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.327 -2.101 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.421 -3.221 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.898 -4.347 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.579 -5.358 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.258 -5.662 1.452 1.00 0.00 H new ATOM 1286 N SER A 89 8.395 -4.971 -3.330 1.00 0.00 N ATOM 1287 CA SER A 89 9.628 -5.124 -4.085 1.00 0.00 C ATOM 1288 C SER A 89 9.743 -4.011 -5.118 1.00 0.00 C ATOM 1289 O SER A 89 10.841 -3.648 -5.541 1.00 0.00 O ATOM 1290 CB SER A 89 9.669 -6.489 -4.775 1.00 0.00 C ATOM 1291 OG SER A 89 10.995 -6.981 -4.856 1.00 0.00 O ATOM 0 H SER A 89 7.781 -5.785 -3.354 1.00 0.00 H new ATOM 0 HA SER A 89 10.470 -5.061 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.048 -7.197 -4.225 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.247 -6.406 -5.777 1.00 0.00 H new ATOM 0 HG SER A 89 10.993 -7.855 -5.299 1.00 0.00 H new ATOM 1297 N LYS A 90 8.594 -3.459 -5.508 1.00 0.00 N ATOM 1298 CA LYS A 90 8.561 -2.373 -6.476 1.00 0.00 C ATOM 1299 C LYS A 90 8.546 -1.022 -5.766 1.00 0.00 C ATOM 1300 O LYS A 90 8.754 0.020 -6.390 1.00 0.00 O ATOM 1301 CB LYS A 90 7.334 -2.499 -7.381 1.00 0.00 C ATOM 1302 CG LYS A 90 7.461 -3.593 -8.430 1.00 0.00 C ATOM 1303 CD LYS A 90 7.481 -3.020 -9.838 1.00 0.00 C ATOM 1304 CE LYS A 90 8.848 -2.457 -10.192 1.00 0.00 C ATOM 1305 NZ LYS A 90 8.960 -2.139 -11.641 1.00 0.00 N ATOM 0 H LYS A 90 7.677 -3.748 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 90 9.460 -2.437 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.457 -2.698 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.162 -1.546 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.375 -4.161 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.629 -4.290 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.211 -3.798 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.730 -2.235 -9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.032 -1.555 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.619 -3.177 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.907 -1.758 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.810 -3.004 -12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.241 -1.433 -11.898 1.00 0.00 H new ATOM 1319 N ILE A 91 8.300 -1.043 -4.457 1.00 0.00 N ATOM 1320 CA ILE A 91 8.260 0.182 -3.669 1.00 0.00 C ATOM 1321 C ILE A 91 9.543 0.360 -2.864 1.00 0.00 C ATOM 1322 O ILE A 91 9.875 -0.468 -2.016 1.00 0.00 O ATOM 1323 CB ILE A 91 7.055 0.194 -2.708 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.764 -0.109 -3.470 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.954 1.534 -1.995 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.680 -0.715 -2.605 1.00 0.00 C ATOM 0 H ILE A 91 8.126 -1.894 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 91 8.160 1.008 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 91 7.203 -0.582 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.390 0.813 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.987 -0.791 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.098 1.524 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.864 1.711 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.828 2.329 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.794 -0.904 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.036 -1.654 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.429 -0.025 -1.800 1.00 0.00 H new ATOM 1338 N SER A 92 10.259 1.446 -3.134 1.00 0.00 N ATOM 1339 CA SER A 92 11.506 1.734 -2.434 1.00 0.00 C ATOM 1340 C SER A 92 11.437 3.086 -1.733 1.00 0.00 C ATOM 1341 O SER A 92 10.442 3.802 -1.842 1.00 0.00 O ATOM 1342 CB SER A 92 12.681 1.715 -3.414 1.00 0.00 C ATOM 1343 OG SER A 92 12.423 2.541 -4.537 1.00 0.00 O ATOM 0 H SER A 92 9.997 2.142 -3.833 1.00 0.00 H new ATOM 0 HA SER A 92 11.657 0.961 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.585 2.055 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.866 0.693 -3.745 1.00 0.00 H new ATOM 0 HG SER A 92 13.190 2.513 -5.147 1.00 0.00 H new ATOM 1349 N LYS A 93 12.499 3.429 -1.011 1.00 0.00 N ATOM 1350 CA LYS A 93 12.557 4.696 -0.292 1.00 0.00 C ATOM 1351 C LYS A 93 12.649 5.869 -1.262 1.00 0.00 C ATOM 1352 O LYS A 93 13.226 5.750 -2.344 1.00 0.00 O ATOM 1353 CB LYS A 93 13.755 4.711 0.659 1.00 0.00 C ATOM 1354 CG LYS A 93 13.505 5.494 1.940 1.00 0.00 C ATOM 1355 CD LYS A 93 14.388 6.729 2.023 1.00 0.00 C ATOM 1356 CE LYS A 93 14.030 7.589 3.225 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.167 8.452 3.649 1.00 0.00 N ATOM 0 H LYS A 93 13.331 2.847 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 93 11.639 4.799 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.018 3.685 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.613 5.140 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.457 5.791 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.693 4.853 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.433 6.427 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.282 7.315 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.171 8.214 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.732 6.948 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.882 9.022 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.979 7.855 3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.435 9.082 2.866 1.00 0.00 H new ATOM 1371 N LEU A 94 12.075 7.001 -0.870 1.00 0.00 N ATOM 1372 CA LEU A 94 12.091 8.195 -1.705 1.00 0.00 C ATOM 1373 C LEU A 94 13.521 8.660 -1.962 1.00 0.00 C ATOM 1374 O LEU A 94 14.429 8.365 -1.184 1.00 0.00 O ATOM 1375 CB LEU A 94 11.289 9.318 -1.044 1.00 0.00 C ATOM 1376 CG LEU A 94 11.001 10.524 -1.941 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.221 10.096 -3.175 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.240 11.591 -1.170 1.00 0.00 C ATOM 0 H LEU A 94 11.593 7.116 0.021 1.00 0.00 H new ATOM 0 HA LEU A 94 11.631 7.944 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.341 8.909 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.832 9.661 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 94 11.951 10.948 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.025 10.966 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.803 9.367 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.275 9.648 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.044 12.441 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.295 11.180 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.835 11.918 -0.318 1.00 0.00 H new ATOM 1390 N LYS A 95 13.713 9.389 -3.056 1.00 0.00 N ATOM 1391 CA LYS A 95 15.032 9.895 -3.416 1.00 0.00 C ATOM 1392 C LYS A 95 16.013 8.748 -3.636 1.00 0.00 C ATOM 1393 O LYS A 95 15.654 7.577 -3.506 1.00 0.00 O ATOM 1394 CB LYS A 95 15.557 10.832 -2.325 1.00 0.00 C ATOM 1395 CG LYS A 95 16.165 12.115 -2.866 1.00 0.00 C ATOM 1396 CD LYS A 95 17.018 12.812 -1.820 1.00 0.00 C ATOM 1397 CE LYS A 95 17.400 14.217 -2.258 1.00 0.00 C ATOM 1398 NZ LYS A 95 18.739 14.251 -2.909 1.00 0.00 N ATOM 0 H LYS A 95 12.972 9.643 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 95 14.939 10.452 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.739 11.084 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.307 10.305 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.774 11.889 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.370 12.785 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.473 12.859 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.921 12.229 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.650 14.598 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.400 14.880 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.962 15.226 -3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.459 13.912 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.732 13.639 -3.750 1.00 0.00 H new ATOM 1412 N ASP A 96 17.252 9.090 -3.971 1.00 0.00 N ATOM 1413 CA ASP A 96 18.285 8.089 -4.208 1.00 0.00 C ATOM 1414 C ASP A 96 17.899 7.174 -5.367 1.00 0.00 C ATOM 1415 O ASP A 96 18.276 6.002 -5.399 1.00 0.00 O ATOM 1416 CB ASP A 96 18.524 7.261 -2.942 1.00 0.00 C ATOM 1417 CG ASP A 96 19.781 7.684 -2.206 1.00 0.00 C ATOM 1418 OD1 ASP A 96 20.259 8.812 -2.444 1.00 0.00 O ATOM 1419 OD2 ASP A 96 20.287 6.884 -1.390 1.00 0.00 O ATOM 0 H ASP A 96 17.566 10.054 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 96 19.207 8.608 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 96 17.666 7.361 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 96 18.599 6.207 -3.209 1.00 0.00 H new ATOM 1424 N SER A 97 17.146 7.716 -6.318 1.00 0.00 N ATOM 1425 CA SER A 97 16.709 6.949 -7.479 1.00 0.00 C ATOM 1426 C SER A 97 16.993 7.709 -8.770 1.00 0.00 C ATOM 1427 O SER A 97 16.766 8.916 -8.854 1.00 0.00 O ATOM 1428 CB SER A 97 15.216 6.634 -7.376 1.00 0.00 C ATOM 1429 OG SER A 97 14.434 7.802 -7.558 1.00 0.00 O ATOM 0 H SER A 97 16.825 8.684 -6.308 1.00 0.00 H new ATOM 0 HA SER A 97 17.269 6.014 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.945 5.891 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.000 6.196 -6.401 1.00 0.00 H new ATOM 0 HG SER A 97 13.484 7.573 -7.489 1.00 0.00 H new ATOM 1435 N GLY A 98 17.490 6.994 -9.774 1.00 0.00 N ATOM 1436 CA GLY A 98 17.797 7.619 -11.047 1.00 0.00 C ATOM 1437 C GLY A 98 18.853 6.857 -11.829 1.00 0.00 C ATOM 1438 O GLY A 98 20.048 7.045 -11.602 1.00 0.00 O ATOM 0 H GLY A 98 17.685 5.994 -9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.887 7.688 -11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.143 8.638 -10.874 1.00 0.00 H new ATOM 1442 N PRO A 99 18.441 5.984 -12.764 1.00 0.00 N ATOM 1443 CA PRO A 99 19.378 5.197 -13.574 1.00 0.00 C ATOM 1444 C PRO A 99 20.176 6.065 -14.541 1.00 0.00 C ATOM 1445 O PRO A 99 21.366 5.838 -14.755 1.00 0.00 O ATOM 1446 CB PRO A 99 18.468 4.236 -14.344 1.00 0.00 C ATOM 1447 CG PRO A 99 17.144 4.917 -14.387 1.00 0.00 C ATOM 1448 CD PRO A 99 17.036 5.693 -13.104 1.00 0.00 C ATOM 0 HA PRO A 99 20.124 4.694 -12.959 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.849 4.049 -15.348 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.400 3.270 -13.844 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.073 5.579 -15.250 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.335 4.192 -14.474 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.456 6.607 -13.234 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.545 5.112 -12.323 1.00 0.00 H new ATOM 1456 N SER A 100 19.511 7.060 -15.121 1.00 0.00 N ATOM 1457 CA SER A 100 20.156 7.968 -16.067 1.00 0.00 C ATOM 1458 C SER A 100 20.543 7.235 -17.348 1.00 0.00 C ATOM 1459 O SER A 100 19.926 7.427 -18.395 1.00 0.00 O ATOM 1460 CB SER A 100 21.394 8.610 -15.433 1.00 0.00 C ATOM 1461 OG SER A 100 21.408 10.010 -15.650 1.00 0.00 O ATOM 0 H SER A 100 18.525 7.259 -14.953 1.00 0.00 H new ATOM 0 HA SER A 100 19.443 8.752 -16.322 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.407 8.404 -14.363 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.295 8.164 -15.854 1.00 0.00 H new ATOM 0 HG SER A 100 22.207 10.397 -15.235 1.00 0.00 H new ATOM 1467 N SER A 101 21.569 6.395 -17.258 1.00 0.00 N ATOM 1468 CA SER A 101 22.038 5.635 -18.410 1.00 0.00 C ATOM 1469 C SER A 101 20.931 4.743 -18.962 1.00 0.00 C ATOM 1470 O SER A 101 20.865 4.489 -20.165 1.00 0.00 O ATOM 1471 CB SER A 101 23.250 4.784 -18.028 1.00 0.00 C ATOM 1472 OG SER A 101 23.664 3.967 -19.110 1.00 0.00 O ATOM 0 H SER A 101 22.091 6.224 -16.399 1.00 0.00 H new ATOM 0 HA SER A 101 22.330 6.344 -19.185 1.00 0.00 H new ATOM 0 HB2 SER A 101 24.071 5.432 -17.723 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.003 4.158 -17.170 1.00 0.00 H new ATOM 0 HG SER A 101 24.441 3.435 -18.839 1.00 0.00 H new ATOM 1478 N GLY A 102 20.062 4.269 -18.073 1.00 0.00 N ATOM 1479 CA GLY A 102 18.969 3.410 -18.489 1.00 0.00 C ATOM 1480 C GLY A 102 18.968 2.080 -17.763 1.00 0.00 C ATOM 1481 O GLY A 102 18.787 1.039 -18.430 1.00 0.00 O ATOM 1482 OXT GLY A 102 19.149 2.078 -16.527 1.00 0.00 O ATOM 0 H GLY A 102 20.096 4.465 -17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 102 18.022 3.919 -18.309 1.00 0.00 H new ATOM 0 HA3 GLY A 102 19.038 3.234 -19.563 1.00 0.00 H new TER 1486 GLY A 102