USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 157 THR OG1 : rot -150:sc= 0.152 USER MOD Set 1.2: A 159 ASN : amide:sc= 0 X(o=0.15,f=0.14) USER MOD Set 2.1: A 81 THR OG1 : rot -58:sc= 0.663 USER MOD Set 2.2: A 135 HIS : no HD1:sc= 0.693 K(o=1.4,f=-1.4) USER MOD Set 3.1: A 96 HIS : no HD1:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= -0.0677 USER MOD Set 4.1: A 83 THR OG1 : rot 180:sc= 0.71 USER MOD Set 4.2: A 133 SER OG : rot 96:sc= 0.808 USER MOD Set 5.1: A 66 SER OG : rot 178:sc= 0.234 USER MOD Set 5.2: A 68 ASN : amide:sc= 0 X(o=0.23,f=0.14) USER MOD Set 6.1: A 64 GLN : amide:sc= 0.242 K(o=0.4,f=-0.71) USER MOD Set 6.2: A 145 TYR OH : rot 100:sc= 0.161 USER MOD Set 7.1: A 50 GLN : amide:sc= -0.312 X(o=0.094,f=0.1) USER MOD Set 7.2: A 53 SER OG : rot 180:sc= 0.406 USER MOD Single : A 1 HIS : no HD1:sc= 0.00576 X(o=0.0058,f=-0.4) USER MOD Single : A 1 HIS N :NH3+ 177:sc= 0.00671 (180deg=0.00625) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0703 USER MOD Single : A 15 SER OG : rot 180:sc= 0.311 USER MOD Single : A 22 ASN : amide:sc= 0.974 K(o=0.97,f=0.026) USER MOD Single : A 24 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.75) USER MOD Single : A 27 SER OG : rot 140:sc= 0.156 USER MOD Single : A 29 MET CE :methyl 159:sc= -0.15 (180deg=-0.806) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.08 K(o=0.08,f=-0.58) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=-0.2) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.545 K(o=-0.55,f=-1.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 124:sc= 1.23 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.0541 X(o=0.054,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000758 USER MOD Single : A 93 SER OG : rot -170:sc= 0.0737 USER MOD Single : A 94 GLN : amide:sc= -0.0257 K(o=-0.026,f=-0.92) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 130:sc= 0.604 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -161:sc= 0.59 (180deg=0.385) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-2) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -90:sc= 0.961 USER MOD Single : A 131 ASN : amide:sc= -0.0132 K(o=-0.013,f=-0.52) USER MOD Single : A 134 HIS : no HE2:sc= -0.351 X(o=-0.35,f=-0.34) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : +bothHN:sc= 1.45 K(o=1.4,f=-4.8!) USER MOD Single : A 162 TYR OH : rot -75:sc= 0.0289 USER MOD Single : A 163 GLN : amide:sc= -0.484 K(o=-0.48,f=-3.8!) USER MOD Single : A 171 ASN : amide:sc= -0.0416 K(o=-0.042,f=-3.1!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.040 -1.016 -1.768 1.00 25.00 N ATOM 2 CA HIS A 1 0.225 -0.824 -2.583 1.00 25.00 C ATOM 3 C HIS A 1 -0.018 -0.258 -3.949 1.00 25.00 C ATOM 4 O HIS A 1 -0.935 -0.625 -4.684 1.00 25.00 O ATOM 5 CB HIS A 1 0.992 -2.174 -2.785 1.00 0.00 C ATOM 6 CG HIS A 1 1.690 -2.705 -1.543 1.00 0.00 C ATOM 7 ND1 HIS A 1 1.512 -2.191 -0.248 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.616 -3.694 -1.445 1.00 0.00 C ATOM 9 CE1 HIS A 1 2.380 -2.849 0.511 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.062 -3.824 -0.154 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.802 -1.457 -0.857 1.00 25.00 H new ATOM 0 H2 HIS A 1 -1.488 -0.093 -1.600 1.00 25.00 H new ATOM 0 H3 HIS A 1 -1.698 -1.630 -2.288 1.00 25.00 H new ATOM 0 HA HIS A 1 0.812 -0.115 -1.999 1.00 25.00 H new ATOM 0 HB2 HIS A 1 0.287 -2.927 -3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.734 -2.039 -3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 1 2.956 -4.298 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.532 -2.632 1.558 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.740 -4.489 0.218 1.00 0.00 H new ATOM 17 N GLY A 2 0.667 0.817 -4.246 1.00 25.00 N ATOM 18 CA GLY A 2 0.406 1.549 -5.454 1.00 25.00 C ATOM 19 C GLY A 2 1.623 2.325 -5.920 1.00 25.00 C ATOM 20 O GLY A 2 2.707 2.315 -5.375 1.00 25.00 O ATOM 0 H GLY A 2 1.411 1.204 -3.665 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.095 0.858 -6.237 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.422 2.238 -5.289 1.00 25.00 H new ATOM 24 N PHE A 3 1.331 3.067 -6.955 1.00 25.00 N ATOM 25 CA PHE A 3 2.344 3.902 -7.530 1.00 25.00 C ATOM 26 C PHE A 3 1.715 5.126 -8.047 1.00 25.00 C ATOM 27 O PHE A 3 0.464 5.115 -8.144 1.00 25.00 O ATOM 28 CB PHE A 3 3.210 3.205 -8.537 1.00 25.00 C ATOM 29 CG PHE A 3 2.603 2.997 -9.909 1.00 25.00 C ATOM 30 CD1 PHE A 3 2.837 3.916 -10.977 1.00 50.00 C ATOM 31 CD2 PHE A 3 1.873 1.803 -10.230 1.00 50.00 C ATOM 32 CE1 PHE A 3 2.269 3.728 -12.214 1.00 25.00 C ATOM 33 CE2 PHE A 3 1.281 1.599 -11.493 1.00 25.00 C ATOM 34 CZ PHE A 3 1.401 2.663 -12.471 1.00 25.00 C ATOM 0 H PHE A 3 0.418 3.109 -7.408 1.00 25.00 H new ATOM 0 HA PHE A 3 3.049 4.173 -6.744 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.130 3.777 -8.652 1.00 25.00 H new ATOM 0 HB3 PHE A 3 3.489 2.231 -8.134 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.472 4.774 -10.809 1.00 50.00 H new ATOM 0 HD2 PHE A 3 1.774 1.034 -9.478 1.00 50.00 H new ATOM 0 HE1 PHE A 3 2.499 4.422 -13.009 1.00 25.00 H new ATOM 0 HE2 PHE A 3 0.757 0.683 -11.724 1.00 25.00 H new ATOM 0 HZ PHE A 3 0.827 2.633 -13.386 1.00 25.00 H new ATOM 44 N ILE A 4 2.498 6.168 -8.280 1.00 25.00 N ATOM 45 CA ILE A 4 1.924 7.443 -8.841 1.00 25.00 C ATOM 46 C ILE A 4 2.213 7.346 -10.333 1.00 25.00 C ATOM 47 O ILE A 4 3.349 7.165 -10.792 1.00 25.00 O ATOM 48 CB ILE A 4 2.578 8.610 -8.155 1.00 25.00 C ATOM 49 CG1 ILE A 4 2.220 8.614 -6.648 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.192 9.903 -8.814 1.00 25.00 C ATOM 51 CD1 ILE A 4 3.243 9.258 -5.824 1.00 25.00 C ATOM 0 H ILE A 4 3.503 6.188 -8.106 1.00 25.00 H new ATOM 0 HA ILE A 4 0.855 7.585 -8.680 1.00 25.00 H new ATOM 0 HB ILE A 4 3.659 8.508 -8.246 1.00 25.00 H new ATOM 0 HG12 ILE A 4 1.269 9.128 -6.506 1.00 25.00 H new ATOM 0 HG13 ILE A 4 2.081 7.587 -6.310 1.00 25.00 H new ATOM 0 HG21 ILE A 4 2.678 10.733 -8.300 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.507 9.888 -9.857 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.110 10.028 -8.764 1.00 25.00 H new ATOM 0 HD11 ILE A 4 2.938 9.231 -4.778 1.00 25.00 H new ATOM 0 HD12 ILE A 4 4.189 8.729 -5.940 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.365 10.294 -6.140 1.00 25.00 H new ATOM 63 N GLU A 5 1.174 7.436 -11.163 1.00 25.00 N ATOM 64 CA GLU A 5 1.260 7.444 -12.607 1.00 25.00 C ATOM 65 C GLU A 5 1.519 8.852 -13.142 1.00 25.00 C ATOM 66 O GLU A 5 2.330 8.991 -14.029 1.00 25.00 O ATOM 67 CB GLU A 5 -0.046 6.967 -13.217 1.00 25.00 C ATOM 68 CG GLU A 5 -0.032 6.494 -14.682 1.00 25.00 C ATOM 69 CD GLU A 5 -1.383 5.851 -15.123 1.00 25.00 C ATOM 70 OE1 GLU A 5 -1.534 4.615 -15.152 1.00 25.00 O ATOM 71 OE2 GLU A 5 -2.316 6.568 -15.531 1.00 25.00 O1- ATOM 0 H GLU A 5 0.214 7.508 -10.825 1.00 25.00 H new ATOM 0 HA GLU A 5 2.084 6.783 -12.878 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.420 6.146 -12.605 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.768 7.779 -13.136 1.00 25.00 H new ATOM 0 HG2 GLU A 5 0.190 7.341 -15.330 1.00 25.00 H new ATOM 0 HG3 GLU A 5 0.771 5.770 -14.817 1.00 25.00 H new ATOM 78 N LYS A 6 0.917 9.870 -12.570 1.00 25.00 N ATOM 79 CA LYS A 6 1.046 11.259 -13.058 1.00 25.00 C ATOM 80 C LYS A 6 1.248 12.210 -11.887 1.00 25.00 C ATOM 81 O LYS A 6 0.764 11.891 -10.784 1.00 25.00 O ATOM 82 CB LYS A 6 -0.238 11.664 -13.798 1.00 25.00 C ATOM 83 CG LYS A 6 -0.243 10.967 -15.068 1.00 25.00 C ATOM 84 CD LYS A 6 -1.407 11.389 -15.980 1.00 25.00 C ATOM 85 CE LYS A 6 -1.284 10.885 -17.485 1.00 25.00 C ATOM 86 NZ LYS A 6 -2.330 11.400 -18.327 1.00 25.00 N1+ ATOM 0 H LYS A 6 0.318 9.777 -11.750 1.00 25.00 H new ATOM 0 HA LYS A 6 1.904 11.315 -13.728 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.118 11.400 -13.212 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -0.269 12.743 -13.952 1.00 25.00 H new ATOM 0 HG2 LYS A 6 0.700 11.153 -15.582 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -0.301 9.894 -14.887 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -2.338 11.010 -15.558 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -1.476 12.477 -15.979 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -0.317 11.186 -17.887 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -1.311 9.795 -17.503 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -2.204 11.042 -19.295 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -3.253 11.092 -17.961 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -2.290 12.439 -18.334 1.00 25.00 H new ATOM 100 N PRO A 7 1.778 13.415 -12.115 1.00 25.00 N ATOM 101 CA PRO A 7 2.282 14.080 -13.312 1.00 25.00 C ATOM 102 C PRO A 7 3.643 13.667 -13.712 1.00 25.00 C ATOM 103 O PRO A 7 4.567 13.569 -12.874 1.00 25.00 O ATOM 104 CB PRO A 7 2.219 15.554 -12.930 1.00 25.00 C ATOM 105 CG PRO A 7 2.529 15.619 -11.540 1.00 25.00 C ATOM 106 CD PRO A 7 1.726 14.409 -11.042 1.00 25.00 C ATOM 0 HA PRO A 7 1.694 13.825 -14.193 1.00 25.00 H new ATOM 0 HB2 PRO A 7 2.929 16.138 -13.515 1.00 25.00 H new ATOM 0 HB3 PRO A 7 1.229 15.965 -13.128 1.00 25.00 H new ATOM 0 HG2 PRO A 7 3.597 15.522 -11.344 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.205 16.554 -11.082 1.00 25.00 H new ATOM 0 HD2 PRO A 7 2.153 14.011 -10.121 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.696 14.690 -10.821 1.00 25.00 H new ATOM 114 N GLY A 8 3.934 13.525 -15.016 1.00 25.00 N ATOM 115 CA GLY A 8 5.279 13.240 -15.488 1.00 25.00 C ATOM 116 C GLY A 8 5.889 11.884 -15.208 1.00 25.00 C ATOM 117 O GLY A 8 5.173 10.969 -14.820 1.00 25.00 O ATOM 0 H GLY A 8 3.241 13.606 -15.760 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.285 13.385 -16.568 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.942 13.992 -15.061 1.00 25.00 H new ATOM 121 N SER A 9 7.167 11.700 -15.430 1.00 25.00 N ATOM 122 CA SER A 9 7.776 10.451 -15.011 1.00 25.00 C ATOM 123 C SER A 9 9.237 10.762 -14.566 1.00 25.00 C ATOM 124 O SER A 9 9.896 11.655 -15.175 1.00 25.00 O ATOM 125 CB SER A 9 7.894 9.501 -16.152 1.00 25.00 C ATOM 126 OG SER A 9 8.410 8.289 -15.728 1.00 25.00 O ATOM 0 H SER A 9 7.791 12.369 -15.881 1.00 25.00 H new ATOM 0 HA SER A 9 7.163 10.017 -14.221 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.915 9.346 -16.606 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.538 9.927 -16.921 1.00 25.00 H new ATOM 0 HG SER A 9 8.478 7.678 -16.491 1.00 25.00 H new ATOM 132 N ARG A 10 9.853 9.917 -13.699 1.00 25.00 N ATOM 133 CA ARG A 10 11.280 10.125 -13.303 1.00 25.00 C ATOM 134 C ARG A 10 12.199 9.613 -14.395 1.00 25.00 C ATOM 135 O ARG A 10 13.412 9.847 -14.415 1.00 25.00 O ATOM 136 CB ARG A 10 11.502 9.539 -11.919 1.00 25.00 C ATOM 137 CG ARG A 10 11.428 8.019 -11.812 1.00 25.00 C ATOM 138 CD ARG A 10 11.815 7.600 -10.412 1.00 25.00 C ATOM 139 NE ARG A 10 11.636 6.151 -10.245 1.00 25.00 N ATOM 140 CZ ARG A 10 12.545 5.257 -10.378 1.00 25.00 C ATOM 141 NH1 ARG A 10 13.776 5.475 -10.637 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 12.168 4.052 -10.261 1.00 25.00 N ATOM 0 H ARG A 10 9.405 9.108 -13.269 1.00 25.00 H new ATOM 0 HA ARG A 10 11.528 11.183 -13.212 1.00 25.00 H new ATOM 0 HB2 ARG A 10 12.481 9.860 -11.564 1.00 25.00 H new ATOM 0 HB3 ARG A 10 10.762 9.967 -11.243 1.00 25.00 H new ATOM 0 HG2 ARG A 10 10.420 7.675 -12.042 1.00 25.00 H new ATOM 0 HG3 ARG A 10 12.096 7.558 -12.540 1.00 25.00 H new ATOM 0 HD2 ARG A 10 12.853 7.870 -10.218 1.00 25.00 H new ATOM 0 HD3 ARG A 10 11.206 8.135 -9.684 1.00 25.00 H new ATOM 0 HE ARG A 10 10.701 5.826 -10.000 1.00 25.00 H new ATOM 0 HH11 ARG A 10 14.110 6.431 -10.757 1.00 25.00 H new ATOM 0 HH12 ARG A 10 14.425 4.693 -10.724 1.00 25.00 H new ATOM 0 HH21 ARG A 10 11.188 3.840 -10.072 1.00 25.00 H new ATOM 0 HH22 ARG A 10 12.844 3.294 -10.356 1.00 25.00 H new ATOM 156 N ALA A 11 11.602 8.934 -15.384 1.00 25.00 N ATOM 157 CA ALA A 11 12.387 8.393 -16.514 1.00 25.00 C ATOM 158 C ALA A 11 13.160 9.530 -17.229 1.00 25.00 C ATOM 159 O ALA A 11 14.291 9.325 -17.643 1.00 25.00 O ATOM 160 CB ALA A 11 11.428 7.687 -17.442 1.00 25.00 C ATOM 0 H ALA A 11 10.600 8.746 -15.430 1.00 25.00 H new ATOM 0 HA ALA A 11 13.136 7.683 -16.164 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.977 7.275 -18.289 1.00 25.00 H new ATOM 0 HB2 ALA A 11 10.930 6.879 -16.905 1.00 25.00 H new ATOM 0 HB3 ALA A 11 10.683 8.396 -17.803 1.00 25.00 H new ATOM 166 N ALA A 12 12.633 10.734 -17.208 1.00 25.00 N ATOM 167 CA ALA A 12 13.363 11.790 -17.886 1.00 25.00 C ATOM 168 C ALA A 12 14.743 12.241 -17.305 1.00 25.00 C ATOM 169 O ALA A 12 15.634 12.785 -18.055 1.00 25.00 O ATOM 170 CB ALA A 12 12.503 12.992 -18.118 1.00 25.00 C ATOM 0 H ALA A 12 11.757 11.001 -16.760 1.00 25.00 H new ATOM 0 HA ALA A 12 13.629 11.293 -18.819 1.00 25.00 H new ATOM 0 HB1 ALA A 12 13.083 13.762 -18.627 1.00 25.00 H new ATOM 0 HB2 ALA A 12 11.648 12.714 -18.735 1.00 25.00 H new ATOM 0 HB3 ALA A 12 12.150 13.377 -17.161 1.00 25.00 H new ATOM 176 N LEU A 13 14.836 12.057 -16.015 1.00 25.00 N ATOM 177 CA LEU A 13 16.036 12.446 -15.267 1.00 25.00 C ATOM 178 C LEU A 13 16.967 11.264 -15.051 1.00 25.00 C ATOM 179 O LEU A 13 18.173 11.401 -14.777 1.00 25.00 O ATOM 180 CB LEU A 13 15.589 12.947 -13.860 1.00 25.00 C ATOM 181 CG LEU A 13 14.660 14.174 -13.917 1.00 25.00 C ATOM 182 CD1 LEU A 13 13.071 13.914 -13.974 1.00 75.00 C ATOM 183 CD2 LEU A 13 14.815 15.100 -12.840 1.00 75.00 C ATOM 0 H LEU A 13 14.101 11.640 -15.445 1.00 25.00 H new ATOM 0 HA LEU A 13 16.560 13.214 -15.836 1.00 25.00 H new ATOM 0 HB2 LEU A 13 15.078 12.137 -13.339 1.00 25.00 H new ATOM 0 HB3 LEU A 13 16.473 13.196 -13.273 1.00 25.00 H new ATOM 0 HG LEU A 13 15.007 14.566 -14.873 1.00 25.00 H new ATOM 0 HD11 LEU A 13 12.547 14.869 -14.011 1.00 75.00 H new ATOM 0 HD12 LEU A 13 12.829 13.333 -14.864 1.00 75.00 H new ATOM 0 HD13 LEU A 13 12.760 13.364 -13.086 1.00 75.00 H new ATOM 0 HD21 LEU A 13 14.118 15.928 -12.969 1.00 75.00 H new ATOM 0 HD22 LEU A 13 14.609 14.597 -11.895 1.00 75.00 H new ATOM 0 HD23 LEU A 13 15.836 15.482 -12.833 1.00 75.00 H new ATOM 195 N CYS A 14 16.407 10.072 -15.150 1.00 25.00 N ATOM 196 CA CYS A 14 17.147 8.795 -15.034 1.00 25.00 C ATOM 197 C CYS A 14 17.776 8.556 -16.401 1.00 25.00 C ATOM 198 O CYS A 14 18.605 7.693 -16.583 1.00 25.00 O ATOM 199 CB CYS A 14 16.284 7.656 -14.546 1.00 25.00 C ATOM 200 SG CYS A 14 17.226 6.174 -14.051 1.00 25.00 S ATOM 0 H CYS A 14 15.409 9.945 -15.316 1.00 25.00 H new ATOM 0 HA CYS A 14 17.920 8.852 -14.268 1.00 25.00 H new ATOM 0 HB2 CYS A 14 15.693 7.999 -13.697 1.00 25.00 H new ATOM 0 HB3 CYS A 14 15.582 7.382 -15.333 1.00 25.00 H new ATOM 205 N SER A 15 17.276 9.194 -17.451 1.00 25.00 N ATOM 206 CA SER A 15 17.856 8.963 -18.773 1.00 25.00 C ATOM 207 C SER A 15 19.311 9.344 -18.819 1.00 25.00 C ATOM 208 O SER A 15 19.837 10.309 -18.153 1.00 25.00 O ATOM 209 CB SER A 15 17.129 9.827 -19.835 1.00 25.00 C ATOM 210 OG SER A 15 17.549 9.554 -21.154 1.00 25.00 O ATOM 0 H SER A 15 16.498 9.853 -17.422 1.00 25.00 H new ATOM 0 HA SER A 15 17.745 7.899 -18.980 1.00 25.00 H new ATOM 0 HB2 SER A 15 16.055 9.657 -19.760 1.00 25.00 H new ATOM 0 HB3 SER A 15 17.301 10.881 -19.616 1.00 25.00 H new ATOM 0 HG SER A 15 17.056 10.126 -21.779 1.00 25.00 H new ATOM 216 N GLU A 16 20.046 8.705 -19.658 1.00 25.00 N ATOM 217 CA GLU A 16 21.424 9.112 -19.976 1.00 25.00 C ATOM 218 C GLU A 16 21.438 10.482 -20.687 1.00 25.00 C ATOM 219 O GLU A 16 22.408 11.225 -20.548 1.00 25.00 O ATOM 220 CB GLU A 16 22.211 8.062 -20.737 1.00 25.00 C ATOM 221 CG GLU A 16 22.727 6.855 -19.899 1.00 25.00 C ATOM 222 CD GLU A 16 21.628 5.837 -19.472 1.00 25.00 C ATOM 223 OE1 GLU A 16 20.854 5.331 -20.334 1.00 25.00 O ATOM 224 OE2 GLU A 16 21.618 5.519 -18.250 1.00 25.00 O1- ATOM 0 H GLU A 16 19.733 7.875 -20.162 1.00 25.00 H new ATOM 0 HA GLU A 16 21.945 9.216 -19.024 1.00 25.00 H new ATOM 0 HB2 GLU A 16 21.583 7.678 -21.541 1.00 25.00 H new ATOM 0 HB3 GLU A 16 23.068 8.547 -21.205 1.00 25.00 H new ATOM 0 HG2 GLU A 16 23.486 6.328 -20.477 1.00 25.00 H new ATOM 0 HG3 GLU A 16 23.217 7.236 -19.003 1.00 25.00 H new ATOM 231 N ALA A 17 20.332 10.814 -21.392 1.00 25.00 N ATOM 232 CA ALA A 17 20.322 12.095 -22.102 1.00 25.00 C ATOM 233 C ALA A 17 20.274 13.269 -21.150 1.00 25.00 C ATOM 234 O ALA A 17 20.694 14.381 -21.436 1.00 25.00 O ATOM 235 CB ALA A 17 19.172 12.151 -23.119 1.00 25.00 C ATOM 0 H ALA A 17 19.488 10.247 -21.478 1.00 25.00 H new ATOM 0 HA ALA A 17 21.261 12.170 -22.651 1.00 25.00 H new ATOM 0 HB1 ALA A 17 19.187 13.112 -23.633 1.00 25.00 H new ATOM 0 HB2 ALA A 17 19.291 11.349 -23.847 1.00 25.00 H new ATOM 0 HB3 ALA A 17 18.221 12.032 -22.600 1.00 25.00 H new ATOM 241 N PHE A 18 19.843 12.978 -19.923 1.00 25.00 N ATOM 242 CA PHE A 18 19.982 13.954 -18.816 1.00 25.00 C ATOM 243 C PHE A 18 21.440 14.529 -18.641 1.00 25.00 C ATOM 244 O PHE A 18 21.596 15.500 -17.977 1.00 25.00 O ATOM 245 CB PHE A 18 19.492 13.473 -17.483 1.00 25.00 C ATOM 246 CG PHE A 18 19.027 14.558 -16.622 1.00 25.00 C ATOM 247 CD1 PHE A 18 17.790 15.194 -16.800 1.00 50.00 C ATOM 248 CD2 PHE A 18 19.752 14.866 -15.500 1.00 50.00 C ATOM 249 CE1 PHE A 18 17.250 16.080 -15.892 1.00 25.00 C ATOM 250 CE2 PHE A 18 19.297 15.869 -14.604 1.00 25.00 C ATOM 251 CZ PHE A 18 18.035 16.484 -14.795 1.00 25.00 C ATOM 0 H PHE A 18 19.402 12.096 -19.662 1.00 25.00 H new ATOM 0 HA PHE A 18 19.323 14.757 -19.147 1.00 25.00 H new ATOM 0 HB2 PHE A 18 18.679 12.763 -17.635 1.00 25.00 H new ATOM 0 HB3 PHE A 18 20.295 12.935 -16.979 1.00 25.00 H new ATOM 0 HD1 PHE A 18 17.230 14.978 -17.698 1.00 50.00 H new ATOM 0 HD2 PHE A 18 20.675 14.343 -15.296 1.00 50.00 H new ATOM 0 HE1 PHE A 18 16.246 16.456 -16.019 1.00 25.00 H new ATOM 0 HE2 PHE A 18 19.917 16.165 -13.771 1.00 25.00 H new ATOM 0 HZ PHE A 18 17.683 17.245 -14.115 1.00 25.00 H new ATOM 261 N GLY A 19 22.434 13.869 -19.217 1.00 25.00 N ATOM 262 CA GLY A 19 23.779 14.393 -19.074 1.00 25.00 C ATOM 263 C GLY A 19 24.867 13.321 -18.955 1.00 25.00 C ATOM 264 O GLY A 19 25.970 13.792 -18.765 1.00 25.00 O ATOM 0 H GLY A 19 22.343 13.011 -19.762 1.00 25.00 H new ATOM 0 HA2 GLY A 19 24.002 15.026 -19.933 1.00 25.00 H new ATOM 0 HA3 GLY A 19 23.816 15.030 -18.190 1.00 25.00 H new ATOM 268 N PHE A 20 24.637 12.042 -19.028 1.00 25.00 N ATOM 269 CA PHE A 20 25.596 11.027 -18.623 1.00 25.00 C ATOM 270 C PHE A 20 26.183 11.153 -17.212 1.00 25.00 C ATOM 271 O PHE A 20 27.332 10.843 -16.935 1.00 25.00 O ATOM 272 CB PHE A 20 26.595 10.774 -19.715 1.00 25.00 C ATOM 273 CG PHE A 20 27.248 9.398 -19.644 1.00 25.00 C ATOM 274 CD1 PHE A 20 26.442 8.247 -19.684 1.00 50.00 C ATOM 275 CD2 PHE A 20 28.632 9.295 -19.448 1.00 50.00 C ATOM 276 CE1 PHE A 20 27.056 6.991 -19.691 1.00 25.00 C ATOM 277 CE2 PHE A 20 29.238 8.048 -19.299 1.00 25.00 C ATOM 278 CZ PHE A 20 28.447 6.861 -19.515 1.00 25.00 C ATOM 0 H PHE A 20 23.760 11.656 -19.377 1.00 25.00 H new ATOM 0 HA PHE A 20 25.016 10.113 -18.495 1.00 25.00 H new ATOM 0 HB2 PHE A 20 26.100 10.882 -20.680 1.00 25.00 H new ATOM 0 HB3 PHE A 20 27.372 11.537 -19.668 1.00 25.00 H new ATOM 0 HD1 PHE A 20 25.366 8.332 -19.709 1.00 50.00 H new ATOM 0 HD2 PHE A 20 29.235 10.190 -19.412 1.00 50.00 H new ATOM 0 HE1 PHE A 20 26.454 6.106 -19.834 1.00 25.00 H new ATOM 0 HE2 PHE A 20 30.280 7.972 -19.027 1.00 25.00 H new ATOM 0 HZ PHE A 20 28.914 5.888 -19.541 1.00 25.00 H new ATOM 288 N LEU A 21 25.398 11.762 -16.338 1.00 25.00 N ATOM 289 CA LEU A 21 25.774 12.038 -14.942 1.00 25.00 C ATOM 290 C LEU A 21 25.944 10.788 -14.083 1.00 25.00 C ATOM 291 O LEU A 21 26.758 10.745 -13.181 1.00 25.00 O ATOM 292 CB LEU A 21 24.687 12.909 -14.276 1.00 25.00 C ATOM 293 CG LEU A 21 24.250 14.283 -14.884 1.00 25.00 C ATOM 294 CD1 LEU A 21 23.339 14.964 -13.799 1.00 50.00 C ATOM 295 CD2 LEU A 21 25.349 15.260 -15.238 1.00 50.00 C ATOM 0 H LEU A 21 24.461 12.089 -16.574 1.00 25.00 H new ATOM 0 HA LEU A 21 26.739 12.542 -14.994 1.00 25.00 H new ATOM 0 HB2 LEU A 21 23.789 12.295 -14.205 1.00 25.00 H new ATOM 0 HB3 LEU A 21 25.020 13.106 -13.257 1.00 25.00 H new ATOM 0 HG LEU A 21 23.770 14.056 -15.836 1.00 25.00 H new ATOM 0 HD11 LEU A 21 22.999 15.933 -14.165 1.00 50.00 H new ATOM 0 HD12 LEU A 21 22.476 14.329 -13.598 1.00 50.00 H new ATOM 0 HD13 LEU A 21 23.909 15.103 -12.880 1.00 50.00 H new ATOM 0 HD21 LEU A 21 24.909 16.169 -15.649 1.00 50.00 H new ATOM 0 HD22 LEU A 21 25.920 15.505 -14.343 1.00 50.00 H new ATOM 0 HD23 LEU A 21 26.011 14.811 -15.978 1.00 50.00 H new ATOM 307 N ASN A 22 25.168 9.800 -14.487 1.00 25.00 N ATOM 308 CA ASN A 22 25.135 8.462 -13.885 1.00 25.00 C ATOM 309 C ASN A 22 25.105 8.387 -12.349 1.00 25.00 C ATOM 310 O ASN A 22 25.973 7.721 -11.763 1.00 25.00 O ATOM 311 CB ASN A 22 26.318 7.652 -14.406 1.00 25.00 C ATOM 312 CG ASN A 22 26.343 7.610 -15.861 1.00 25.00 C ATOM 313 OD1 ASN A 22 25.385 7.631 -16.546 1.00 25.00 O ATOM 314 ND2 ASN A 22 27.538 7.507 -16.396 1.00 25.00 N ATOM 0 H ASN A 22 24.519 9.900 -15.268 1.00 25.00 H new ATOM 0 HA ASN A 22 24.172 8.052 -14.190 1.00 25.00 H new ATOM 0 HB2 ASN A 22 27.247 8.087 -14.039 1.00 25.00 H new ATOM 0 HB3 ASN A 22 26.265 6.637 -14.014 1.00 25.00 H new ATOM 0 HD21 ASN A 22 27.640 7.445 -17.409 1.00 25.00 H new ATOM 0 HD22 ASN A 22 28.364 7.489 -15.798 1.00 25.00 H new ATOM 321 N LEU A 23 24.064 8.991 -11.765 1.00 25.00 N ATOM 322 CA LEU A 23 23.755 8.953 -10.305 1.00 25.00 C ATOM 323 C LEU A 23 22.282 9.435 -10.021 1.00 25.00 C ATOM 324 O LEU A 23 21.676 10.155 -10.800 1.00 25.00 O ATOM 325 CB LEU A 23 24.758 9.862 -9.530 1.00 25.00 C ATOM 326 CG LEU A 23 24.560 11.379 -9.463 1.00 25.00 C ATOM 327 CD1 LEU A 23 25.387 12.048 -8.344 1.00 50.00 C ATOM 328 CD2 LEU A 23 24.857 12.020 -10.729 1.00 50.00 C ATOM 0 H LEU A 23 23.387 9.538 -12.297 1.00 25.00 H new ATOM 0 HA LEU A 23 23.851 7.922 -9.966 1.00 25.00 H new ATOM 0 HB2 LEU A 23 24.789 9.499 -8.503 1.00 25.00 H new ATOM 0 HB3 LEU A 23 25.744 9.688 -9.960 1.00 25.00 H new ATOM 0 HG LEU A 23 23.504 11.519 -9.230 1.00 25.00 H new ATOM 0 HD11 LEU A 23 25.203 13.122 -8.348 1.00 50.00 H new ATOM 0 HD12 LEU A 23 25.095 11.634 -7.379 1.00 50.00 H new ATOM 0 HD13 LEU A 23 26.447 11.861 -8.514 1.00 50.00 H new ATOM 0 HD21 LEU A 23 24.704 13.095 -10.637 1.00 50.00 H new ATOM 0 HD22 LEU A 23 25.894 11.823 -11.002 1.00 50.00 H new ATOM 0 HD23 LEU A 23 24.197 11.624 -11.501 1.00 50.00 H new ATOM 340 N ASN A 24 21.787 9.100 -8.855 1.00 25.00 N ATOM 341 CA ASN A 24 20.508 9.617 -8.367 1.00 25.00 C ATOM 342 C ASN A 24 19.189 9.530 -9.209 1.00 25.00 C ATOM 343 O ASN A 24 18.470 10.517 -9.317 1.00 25.00 O ATOM 344 CB ASN A 24 20.612 11.047 -7.827 1.00 25.00 C ATOM 345 CG ASN A 24 19.683 11.350 -6.666 1.00 25.00 C ATOM 346 OD1 ASN A 24 18.958 10.469 -6.140 1.00 25.00 O ATOM 347 ND2 ASN A 24 19.754 12.598 -6.245 1.00 25.00 N ATOM 0 H ASN A 24 22.251 8.462 -8.209 1.00 25.00 H new ATOM 0 HA ASN A 24 20.361 8.849 -7.608 1.00 25.00 H new ATOM 0 HB2 ASN A 24 21.639 11.229 -7.511 1.00 25.00 H new ATOM 0 HB3 ASN A 24 20.400 11.744 -8.637 1.00 25.00 H new ATOM 0 HD21 ASN A 24 19.198 12.899 -5.444 1.00 25.00 H new ATOM 0 HD22 ASN A 24 20.365 13.262 -6.720 1.00 25.00 H new ATOM 354 N CYS A 25 18.914 8.317 -9.754 1.00 25.00 N ATOM 355 CA CYS A 25 17.592 7.973 -10.312 1.00 25.00 C ATOM 356 C CYS A 25 16.527 7.791 -9.200 1.00 25.00 C ATOM 357 O CYS A 25 15.350 7.743 -9.512 1.00 25.00 O ATOM 358 CB CYS A 25 17.633 6.650 -11.087 1.00 25.00 C ATOM 359 SG CYS A 25 18.524 6.767 -12.655 1.00 25.00 S ATOM 0 H CYS A 25 19.597 7.562 -9.816 1.00 25.00 H new ATOM 0 HA CYS A 25 17.330 8.803 -10.968 1.00 25.00 H new ATOM 0 HB2 CYS A 25 18.103 5.888 -10.466 1.00 25.00 H new ATOM 0 HB3 CYS A 25 16.613 6.319 -11.281 1.00 25.00 H new ATOM 364 N GLY A 26 16.887 7.740 -7.921 1.00 25.00 N ATOM 365 CA GLY A 26 15.957 7.648 -6.788 1.00 25.00 C ATOM 366 C GLY A 26 15.735 6.250 -6.295 1.00 25.00 C ATOM 367 O GLY A 26 15.425 5.320 -7.031 1.00 25.00 O ATOM 0 H GLY A 26 17.864 7.762 -7.630 1.00 25.00 H new ATOM 0 HA2 GLY A 26 16.339 8.256 -5.967 1.00 25.00 H new ATOM 0 HA3 GLY A 26 14.998 8.075 -7.082 1.00 25.00 H new ATOM 371 N SER A 27 15.970 6.075 -5.009 1.00 25.00 N ATOM 372 CA SER A 27 15.840 4.796 -4.325 1.00 25.00 C ATOM 373 C SER A 27 14.449 4.205 -4.304 1.00 25.00 C ATOM 374 O SER A 27 14.293 3.055 -3.961 1.00 25.00 O ATOM 375 CB SER A 27 16.413 5.030 -2.867 1.00 25.00 C ATOM 376 OG SER A 27 17.352 6.157 -2.949 1.00 25.00 O ATOM 0 H SER A 27 16.264 6.834 -4.394 1.00 25.00 H new ATOM 0 HA SER A 27 16.398 4.040 -4.878 1.00 25.00 H new ATOM 0 HB2 SER A 27 15.607 5.250 -2.167 1.00 25.00 H new ATOM 0 HB3 SER A 27 16.916 4.135 -2.502 1.00 25.00 H new ATOM 0 HG SER A 27 17.245 6.730 -2.161 1.00 25.00 H new ATOM 382 N VAL A 28 13.466 4.989 -4.830 1.00 25.00 N ATOM 383 CA VAL A 28 12.133 4.452 -5.186 1.00 25.00 C ATOM 384 C VAL A 28 12.182 3.286 -6.146 1.00 25.00 C ATOM 385 O VAL A 28 11.269 2.426 -6.138 1.00 25.00 O ATOM 386 CB VAL A 28 11.270 5.568 -5.765 1.00 25.00 C ATOM 387 CG1 VAL A 28 10.852 6.567 -4.656 1.00 50.00 C ATOM 388 CG2 VAL A 28 11.943 6.268 -6.922 1.00 50.00 C ATOM 0 H VAL A 28 13.576 5.986 -5.013 1.00 25.00 H new ATOM 0 HA VAL A 28 11.696 4.068 -4.264 1.00 25.00 H new ATOM 0 HB VAL A 28 10.366 5.110 -6.166 1.00 25.00 H new ATOM 0 HG11 VAL A 28 10.237 7.356 -5.090 1.00 50.00 H new ATOM 0 HG12 VAL A 28 10.282 6.042 -3.890 1.00 50.00 H new ATOM 0 HG13 VAL A 28 11.743 7.007 -4.208 1.00 50.00 H new ATOM 0 HG21 VAL A 28 11.290 7.054 -7.301 1.00 50.00 H new ATOM 0 HG22 VAL A 28 12.882 6.707 -6.585 1.00 50.00 H new ATOM 0 HG23 VAL A 28 12.143 5.549 -7.716 1.00 50.00 H new ATOM 398 N MET A 29 13.308 3.119 -6.840 1.00 25.00 N ATOM 399 CA MET A 29 13.583 1.945 -7.625 1.00 25.00 C ATOM 400 C MET A 29 13.490 0.614 -6.880 1.00 25.00 C ATOM 401 O MET A 29 13.058 -0.369 -7.438 1.00 25.00 O ATOM 402 CB MET A 29 14.992 1.977 -8.297 1.00 25.00 C ATOM 403 CG MET A 29 16.213 1.705 -7.466 1.00 25.00 C ATOM 404 SD MET A 29 17.693 1.789 -8.470 1.00 25.00 S ATOM 405 CE MET A 29 17.765 3.501 -8.764 1.00 25.00 C ATOM 0 H MET A 29 14.056 3.812 -6.864 1.00 25.00 H new ATOM 0 HA MET A 29 12.784 1.987 -8.365 1.00 25.00 H new ATOM 0 HB2 MET A 29 14.982 1.252 -9.111 1.00 25.00 H new ATOM 0 HB3 MET A 29 15.117 2.961 -8.748 1.00 25.00 H new ATOM 0 HG2 MET A 29 16.276 2.430 -6.655 1.00 25.00 H new ATOM 0 HG3 MET A 29 16.134 0.720 -7.007 1.00 25.00 H new ATOM 0 HE1 MET A 29 18.782 3.780 -9.039 1.00 25.00 H new ATOM 0 HE2 MET A 29 17.085 3.760 -9.576 1.00 25.00 H new ATOM 0 HE3 MET A 29 17.473 4.038 -7.861 1.00 25.00 H new ATOM 415 N TYR A 30 13.775 0.592 -5.589 1.00 25.00 N ATOM 416 CA TYR A 30 13.514 -0.618 -4.797 1.00 25.00 C ATOM 417 C TYR A 30 12.266 -0.462 -4.007 1.00 25.00 C ATOM 418 O TYR A 30 11.454 -1.404 -3.983 1.00 25.00 O ATOM 419 CB TYR A 30 14.730 -0.905 -3.884 1.00 25.00 C ATOM 420 CG TYR A 30 14.558 -2.098 -2.994 1.00 25.00 C ATOM 421 CD1 TYR A 30 14.727 -3.460 -3.411 1.00 50.00 C ATOM 422 CD2 TYR A 30 14.174 -1.889 -1.613 1.00 50.00 C ATOM 423 CE1 TYR A 30 14.549 -4.560 -2.529 1.00 25.00 C ATOM 424 CE2 TYR A 30 13.962 -2.999 -0.717 1.00 25.00 C ATOM 425 CZ TYR A 30 14.164 -4.313 -1.196 1.00 25.00 C ATOM 426 OH TYR A 30 13.940 -5.365 -0.382 1.00 25.00 O ATOM 0 H TYR A 30 14.177 1.372 -5.069 1.00 25.00 H new ATOM 0 HA TYR A 30 13.373 -1.468 -5.464 1.00 25.00 H new ATOM 0 HB2 TYR A 30 15.612 -1.054 -4.507 1.00 25.00 H new ATOM 0 HB3 TYR A 30 14.921 -0.028 -3.265 1.00 25.00 H new ATOM 0 HD1 TYR A 30 15.001 -3.658 -4.437 1.00 50.00 H new ATOM 0 HD2 TYR A 30 14.044 -0.881 -1.247 1.00 50.00 H new ATOM 0 HE1 TYR A 30 14.707 -5.571 -2.875 1.00 25.00 H new ATOM 0 HE2 TYR A 30 13.654 -2.829 0.304 1.00 25.00 H new ATOM 0 HH TYR A 30 13.683 -5.042 0.507 1.00 25.00 H new ATOM 436 N GLU A 31 12.074 0.667 -3.337 1.00 25.00 N ATOM 437 CA GLU A 31 10.832 0.839 -2.551 1.00 25.00 C ATOM 438 C GLU A 31 9.865 1.952 -3.053 1.00 25.00 C ATOM 439 O GLU A 31 9.815 3.052 -2.433 1.00 25.00 O ATOM 440 CB GLU A 31 11.193 1.089 -1.068 1.00 25.00 C ATOM 441 CG GLU A 31 12.365 2.054 -0.868 1.00 25.00 C ATOM 442 CD GLU A 31 12.418 2.598 0.596 1.00 25.00 C ATOM 443 OE1 GLU A 31 12.794 1.862 1.555 1.00 25.00 O ATOM 444 OE2 GLU A 31 12.081 3.824 0.771 1.00 25.00 O1- ATOM 0 H GLU A 31 12.723 1.453 -3.312 1.00 25.00 H new ATOM 0 HA GLU A 31 10.279 -0.091 -2.680 1.00 25.00 H new ATOM 0 HB2 GLU A 31 10.318 1.485 -0.553 1.00 25.00 H new ATOM 0 HB3 GLU A 31 11.436 0.136 -0.598 1.00 25.00 H new ATOM 0 HG2 GLU A 31 13.300 1.545 -1.102 1.00 25.00 H new ATOM 0 HG3 GLU A 31 12.273 2.888 -1.564 1.00 25.00 H new ATOM 451 N PRO A 32 9.073 1.692 -4.101 1.00 25.00 N ATOM 452 CA PRO A 32 8.084 2.703 -4.502 1.00 25.00 C ATOM 453 C PRO A 32 6.773 2.720 -3.647 1.00 25.00 C ATOM 454 O PRO A 32 6.011 3.652 -3.776 1.00 25.00 O ATOM 455 CB PRO A 32 7.829 2.268 -5.958 1.00 25.00 C ATOM 456 CG PRO A 32 7.936 0.809 -6.059 1.00 25.00 C ATOM 457 CD PRO A 32 9.094 0.562 -5.065 1.00 25.00 C ATOM 0 HA PRO A 32 8.436 3.726 -4.368 1.00 25.00 H new ATOM 0 HB2 PRO A 32 6.839 2.594 -6.278 1.00 25.00 H new ATOM 0 HB3 PRO A 32 8.551 2.743 -6.622 1.00 25.00 H new ATOM 0 HG2 PRO A 32 7.017 0.301 -5.765 1.00 25.00 H new ATOM 0 HG3 PRO A 32 8.174 0.476 -7.069 1.00 25.00 H new ATOM 0 HD2 PRO A 32 8.966 -0.390 -4.549 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.050 0.516 -5.587 1.00 25.00 H new ATOM 465 N GLN A 33 6.422 1.676 -2.953 1.00 25.00 N ATOM 466 CA GLN A 33 5.027 1.475 -2.450 1.00 25.00 C ATOM 467 C GLN A 33 4.771 1.174 -0.938 1.00 25.00 C ATOM 468 O GLN A 33 3.630 1.055 -0.537 1.00 25.00 O ATOM 469 CB GLN A 33 4.390 0.333 -3.211 1.00 25.00 C ATOM 470 CG GLN A 33 4.984 -1.049 -2.935 1.00 25.00 C ATOM 471 CD GLN A 33 4.588 -2.043 -3.960 1.00 25.00 C ATOM 472 OE1 GLN A 33 4.032 -1.767 -5.019 1.00 25.00 O ATOM 473 NE2 GLN A 33 4.962 -3.306 -3.682 1.00 25.00 N ATOM 0 H GLN A 33 7.065 0.925 -2.703 1.00 25.00 H new ATOM 0 HA GLN A 33 4.603 2.467 -2.607 1.00 25.00 H new ATOM 0 HB2 GLN A 33 3.327 0.307 -2.972 1.00 25.00 H new ATOM 0 HB3 GLN A 33 4.472 0.539 -4.278 1.00 25.00 H new ATOM 0 HG2 GLN A 33 6.071 -0.976 -2.903 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.659 -1.393 -1.953 1.00 25.00 H new ATOM 0 HE21 GLN A 33 5.423 -3.518 -2.797 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.784 -4.051 -4.356 1.00 25.00 H new ATOM 482 N SER A 34 5.809 1.145 -0.088 1.00 25.00 N ATOM 483 CA SER A 34 5.581 0.852 1.342 1.00 25.00 C ATOM 484 C SER A 34 5.287 2.180 2.063 1.00 25.00 C ATOM 485 O SER A 34 5.987 2.530 3.032 1.00 25.00 O ATOM 486 CB SER A 34 6.836 0.146 1.886 1.00 25.00 C ATOM 487 OG SER A 34 6.569 -0.763 2.927 1.00 25.00 O ATOM 0 H SER A 34 6.781 1.313 -0.348 1.00 25.00 H new ATOM 0 HA SER A 34 4.728 0.192 1.502 1.00 25.00 H new ATOM 0 HB2 SER A 34 7.326 -0.384 1.070 1.00 25.00 H new ATOM 0 HB3 SER A 34 7.539 0.898 2.244 1.00 25.00 H new ATOM 0 HG SER A 34 7.407 -1.176 3.224 1.00 25.00 H new ATOM 493 N LEU A 35 4.367 2.973 1.518 1.00 25.00 N ATOM 494 CA LEU A 35 4.188 4.356 1.976 1.00 25.00 C ATOM 495 C LEU A 35 3.203 4.441 3.166 1.00 25.00 C ATOM 496 O LEU A 35 2.033 4.780 3.006 1.00 25.00 O ATOM 497 CB LEU A 35 3.763 5.286 0.836 1.00 25.00 C ATOM 498 CG LEU A 35 4.634 5.463 -0.445 1.00 25.00 C ATOM 499 CD1 LEU A 35 3.795 6.264 -1.505 1.00 50.00 C ATOM 500 CD2 LEU A 35 6.018 6.020 -0.254 1.00 50.00 C ATOM 0 H LEU A 35 3.738 2.689 0.767 1.00 25.00 H new ATOM 0 HA LEU A 35 5.160 4.700 2.329 1.00 25.00 H new ATOM 0 HB2 LEU A 35 2.780 4.951 0.505 1.00 25.00 H new ATOM 0 HB3 LEU A 35 3.633 6.278 1.269 1.00 25.00 H new ATOM 0 HG LEU A 35 4.860 4.459 -0.804 1.00 25.00 H new ATOM 0 HD11 LEU A 35 4.387 6.399 -2.410 1.00 50.00 H new ATOM 0 HD12 LEU A 35 2.887 5.710 -1.744 1.00 50.00 H new ATOM 0 HD13 LEU A 35 3.529 7.239 -1.097 1.00 50.00 H new ATOM 0 HD21 LEU A 35 6.517 6.093 -1.220 1.00 50.00 H new ATOM 0 HD22 LEU A 35 5.953 7.011 0.196 1.00 50.00 H new ATOM 0 HD23 LEU A 35 6.588 5.361 0.401 1.00 50.00 H new ATOM 512 N GLU A 36 3.678 4.141 4.347 1.00 25.00 N ATOM 513 CA GLU A 36 2.888 4.451 5.558 1.00 25.00 C ATOM 514 C GLU A 36 3.758 5.055 6.618 1.00 25.00 C ATOM 515 O GLU A 36 4.938 4.811 6.558 1.00 25.00 O ATOM 516 CB GLU A 36 2.264 3.229 6.183 1.00 25.00 C ATOM 517 CG GLU A 36 1.347 2.488 5.264 1.00 25.00 C ATOM 518 CD GLU A 36 0.643 1.382 5.969 1.00 25.00 C ATOM 519 OE1 GLU A 36 1.176 0.837 6.999 1.00 25.00 O ATOM 520 OE2 GLU A 36 -0.489 1.011 5.537 1.00 25.00 O1- ATOM 0 H GLU A 36 4.579 3.695 4.517 1.00 25.00 H new ATOM 0 HA GLU A 36 2.110 5.136 5.222 1.00 25.00 H new ATOM 0 HB2 GLU A 36 3.055 2.556 6.513 1.00 25.00 H new ATOM 0 HB3 GLU A 36 1.709 3.529 7.072 1.00 25.00 H new ATOM 0 HG2 GLU A 36 0.615 3.178 4.845 1.00 25.00 H new ATOM 0 HG3 GLU A 36 1.917 2.083 4.428 1.00 25.00 H new ATOM 527 N ALA A 37 3.217 5.887 7.469 1.00 25.00 N ATOM 528 CA ALA A 37 3.869 6.386 8.711 1.00 25.00 C ATOM 529 C ALA A 37 2.726 6.520 9.638 1.00 25.00 C ATOM 530 O ALA A 37 1.584 6.441 9.157 1.00 25.00 O ATOM 531 CB ALA A 37 4.632 7.658 8.441 1.00 25.00 C ATOM 0 H ALA A 37 2.279 6.265 7.337 1.00 25.00 H new ATOM 0 HA ALA A 37 4.636 5.735 9.131 1.00 25.00 H new ATOM 0 HB1 ALA A 37 5.100 8.004 9.363 1.00 25.00 H new ATOM 0 HB2 ALA A 37 5.401 7.469 7.692 1.00 25.00 H new ATOM 0 HB3 ALA A 37 3.947 8.422 8.073 1.00 25.00 H new ATOM 537 N LYS A 38 2.972 6.690 10.946 1.00 25.00 N ATOM 538 CA LYS A 38 1.790 6.921 11.847 1.00 25.00 C ATOM 539 C LYS A 38 1.511 8.419 12.046 1.00 25.00 C ATOM 540 O LYS A 38 2.416 9.238 11.880 1.00 25.00 O ATOM 541 CB LYS A 38 2.209 6.205 13.150 1.00 25.00 C ATOM 542 CG LYS A 38 0.949 5.895 13.962 1.00 25.00 C ATOM 543 CD LYS A 38 1.139 5.407 15.395 1.00 25.00 C ATOM 544 CE LYS A 38 1.405 3.928 15.401 1.00 25.00 C ATOM 545 NZ LYS A 38 1.410 3.313 16.794 1.00 25.00 N1+ ATOM 0 H LYS A 38 3.889 6.678 11.393 1.00 25.00 H new ATOM 0 HA LYS A 38 0.852 6.538 11.446 1.00 25.00 H new ATOM 0 HB2 LYS A 38 2.747 5.285 12.920 1.00 25.00 H new ATOM 0 HB3 LYS A 38 2.886 6.835 13.727 1.00 25.00 H new ATOM 0 HG2 LYS A 38 0.337 6.797 13.992 1.00 25.00 H new ATOM 0 HG3 LYS A 38 0.378 5.140 13.422 1.00 25.00 H new ATOM 0 HD2 LYS A 38 1.970 5.937 15.862 1.00 25.00 H new ATOM 0 HD3 LYS A 38 0.249 5.628 15.984 1.00 25.00 H new ATOM 0 HE2 LYS A 38 0.648 3.429 14.796 1.00 25.00 H new ATOM 0 HE3 LYS A 38 2.368 3.739 14.926 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 1.599 2.293 16.722 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 2.150 3.763 17.369 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 0.484 3.463 17.243 1.00 25.00 H new ATOM 559 N LYS A 39 0.239 8.763 12.106 1.00 25.00 N ATOM 560 CA LYS A 39 -0.118 10.154 12.384 1.00 25.00 C ATOM 561 C LYS A 39 0.493 10.570 13.725 1.00 25.00 C ATOM 562 O LYS A 39 0.460 9.831 14.676 1.00 25.00 O ATOM 563 CB LYS A 39 -1.650 10.175 12.554 1.00 25.00 C ATOM 564 CG LYS A 39 -2.449 10.186 11.257 1.00 25.00 C ATOM 565 CD LYS A 39 -3.988 10.408 11.484 1.00 25.00 C ATOM 566 CE LYS A 39 -4.815 10.850 10.239 1.00 25.00 C ATOM 567 NZ LYS A 39 -6.217 11.248 10.597 1.00 25.00 N1+ ATOM 0 H LYS A 39 -0.547 8.127 11.972 1.00 25.00 H new ATOM 0 HA LYS A 39 0.231 10.816 11.592 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -1.946 9.303 13.137 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -1.922 11.055 13.137 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -2.066 10.973 10.608 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -2.297 9.241 10.735 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -4.414 9.480 11.866 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -4.114 11.161 12.262 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -4.315 11.688 9.753 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -4.845 10.034 9.517 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -6.727 11.534 9.737 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -6.705 10.442 11.037 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -6.192 12.044 11.265 1.00 25.00 H new ATOM 581 N GLY A 40 0.900 11.836 13.872 1.00 25.00 N ATOM 582 CA GLY A 40 1.356 12.341 15.181 1.00 25.00 C ATOM 583 C GLY A 40 2.740 11.870 15.643 1.00 25.00 C ATOM 584 O GLY A 40 3.595 11.455 14.806 1.00 25.00 O ATOM 0 H GLY A 40 0.925 12.522 13.118 1.00 25.00 H new ATOM 0 HA2 GLY A 40 1.359 13.430 15.146 1.00 25.00 H new ATOM 0 HA3 GLY A 40 0.625 12.048 15.935 1.00 25.00 H new ATOM 588 N PHE A 41 2.910 12.022 16.972 1.00 25.00 N ATOM 589 CA PHE A 41 4.168 11.749 17.634 1.00 25.00 C ATOM 590 C PHE A 41 3.865 11.333 19.121 1.00 25.00 C ATOM 591 O PHE A 41 2.727 11.576 19.596 1.00 25.00 O ATOM 592 CB PHE A 41 4.982 13.108 17.536 1.00 25.00 C ATOM 593 CG PHE A 41 4.203 14.344 18.099 1.00 25.00 C ATOM 594 CD1 PHE A 41 4.245 14.625 19.514 1.00 25.00 C ATOM 595 CD2 PHE A 41 3.549 15.260 17.192 1.00 25.00 C ATOM 596 CE1 PHE A 41 3.533 15.696 19.955 1.00 25.00 C ATOM 597 CE2 PHE A 41 2.988 16.446 17.739 1.00 25.00 C ATOM 598 CZ PHE A 41 2.978 16.662 19.138 1.00 25.00 C ATOM 0 H PHE A 41 2.171 12.337 17.601 1.00 25.00 H new ATOM 0 HA PHE A 41 4.740 10.935 17.190 1.00 25.00 H new ATOM 0 HB2 PHE A 41 5.920 13.001 18.081 1.00 25.00 H new ATOM 0 HB3 PHE A 41 5.239 13.294 16.493 1.00 25.00 H new ATOM 0 HD1 PHE A 41 4.817 14.011 20.193 1.00 25.00 H new ATOM 0 HD2 PHE A 41 3.489 15.050 16.134 1.00 25.00 H new ATOM 0 HE1 PHE A 41 3.391 15.799 21.021 1.00 25.00 H new ATOM 0 HE2 PHE A 41 2.565 17.190 17.080 1.00 25.00 H new ATOM 0 HZ PHE A 41 2.547 17.560 19.556 1.00 25.00 H new ATOM 608 N PRO A 42 4.896 10.791 19.880 1.00 25.00 N ATOM 609 CA PRO A 42 6.284 10.349 19.658 1.00 25.00 C ATOM 610 C PRO A 42 6.538 9.425 18.481 1.00 25.00 C ATOM 611 O PRO A 42 5.753 8.592 18.144 1.00 25.00 O ATOM 612 CB PRO A 42 6.640 9.599 20.953 1.00 25.00 C ATOM 613 CG PRO A 42 5.872 10.284 21.957 1.00 25.00 C ATOM 614 CD PRO A 42 4.517 10.545 21.265 1.00 25.00 C ATOM 0 HA PRO A 42 6.883 11.227 19.419 1.00 25.00 H new ATOM 0 HB2 PRO A 42 6.372 8.544 20.893 1.00 25.00 H new ATOM 0 HB3 PRO A 42 7.709 9.645 21.163 1.00 25.00 H new ATOM 0 HG2 PRO A 42 5.753 9.677 22.854 1.00 25.00 H new ATOM 0 HG3 PRO A 42 6.351 11.214 22.263 1.00 25.00 H new ATOM 0 HD2 PRO A 42 3.847 9.690 21.354 1.00 25.00 H new ATOM 0 HD3 PRO A 42 4.000 11.401 21.700 1.00 25.00 H new ATOM 622 N HIS A 43 7.580 9.757 17.755 1.00 25.00 N ATOM 623 CA HIS A 43 7.788 9.222 16.413 1.00 25.00 C ATOM 624 C HIS A 43 9.191 8.664 16.119 1.00 25.00 C ATOM 625 O HIS A 43 9.468 8.190 15.023 1.00 25.00 O ATOM 626 CB HIS A 43 7.521 10.375 15.411 1.00 25.00 C ATOM 627 CG HIS A 43 7.129 9.965 14.032 1.00 25.00 C ATOM 628 ND1 HIS A 43 5.772 9.760 13.640 1.00 25.00 N ATOM 629 CD2 HIS A 43 7.877 9.678 12.934 1.00 25.00 C ATOM 630 CE1 HIS A 43 5.792 9.442 12.335 1.00 25.00 C ATOM 631 NE2 HIS A 43 7.036 9.379 11.895 1.00 25.00 N ATOM 0 H HIS A 43 8.307 10.400 18.067 1.00 25.00 H new ATOM 0 HA HIS A 43 7.110 8.374 16.320 1.00 25.00 H new ATOM 0 HB2 HIS A 43 6.733 11.008 15.818 1.00 25.00 H new ATOM 0 HB3 HIS A 43 8.420 10.988 15.345 1.00 25.00 H new ATOM 0 HD1 HIS A 43 4.947 9.839 14.235 1.00 25.00 H new ATOM 0 HD2 HIS A 43 8.956 9.685 12.888 1.00 25.00 H new ATOM 0 HE1 HIS A 43 4.915 9.263 11.731 1.00 25.00 H new ATOM 639 N SER A 44 10.054 8.766 17.129 1.00 25.00 N ATOM 640 CA SER A 44 11.459 8.355 16.983 1.00 25.00 C ATOM 641 C SER A 44 12.316 9.102 15.952 1.00 25.00 C ATOM 642 O SER A 44 13.124 9.904 16.311 1.00 25.00 O ATOM 643 CB SER A 44 11.655 6.839 16.833 1.00 25.00 C ATOM 644 OG SER A 44 12.933 6.307 17.273 1.00 25.00 O ATOM 0 H SER A 44 9.812 9.126 18.052 1.00 25.00 H new ATOM 0 HA SER A 44 11.847 8.674 17.950 1.00 25.00 H new ATOM 0 HB2 SER A 44 10.865 6.335 17.390 1.00 25.00 H new ATOM 0 HB3 SER A 44 11.520 6.579 15.783 1.00 25.00 H new ATOM 0 HG SER A 44 12.949 5.337 17.134 1.00 25.00 H new ATOM 650 N GLY A 45 12.155 8.767 14.671 1.00 25.00 N ATOM 651 CA GLY A 45 12.654 9.672 13.680 1.00 25.00 C ATOM 652 C GLY A 45 11.833 10.962 13.667 1.00 25.00 C ATOM 653 O GLY A 45 10.816 11.096 14.387 1.00 25.00 O ATOM 0 H GLY A 45 11.706 7.919 14.324 1.00 25.00 H new ATOM 0 HA2 GLY A 45 13.700 9.902 13.884 1.00 25.00 H new ATOM 0 HA3 GLY A 45 12.617 9.201 12.698 1.00 25.00 H new ATOM 657 N PRO A 46 12.173 11.984 12.826 1.00 25.00 N ATOM 658 CA PRO A 46 11.291 13.160 12.785 1.00 25.00 C ATOM 659 C PRO A 46 9.922 12.881 12.186 1.00 25.00 C ATOM 660 O PRO A 46 9.797 11.968 11.353 1.00 25.00 O ATOM 661 CB PRO A 46 12.110 14.160 11.934 1.00 25.00 C ATOM 662 CG PRO A 46 12.936 13.330 11.031 1.00 25.00 C ATOM 663 CD PRO A 46 13.274 12.088 11.835 1.00 25.00 C ATOM 0 HA PRO A 46 11.043 13.526 13.781 1.00 25.00 H new ATOM 0 HB2 PRO A 46 11.454 14.822 11.368 1.00 25.00 H new ATOM 0 HB3 PRO A 46 12.734 14.793 12.565 1.00 25.00 H new ATOM 0 HG2 PRO A 46 12.392 13.075 10.122 1.00 25.00 H new ATOM 0 HG3 PRO A 46 13.838 13.859 10.725 1.00 25.00 H new ATOM 0 HD2 PRO A 46 13.323 11.204 11.200 1.00 25.00 H new ATOM 0 HD3 PRO A 46 14.243 12.182 12.325 1.00 25.00 H new ATOM 671 N ALA A 47 8.925 13.597 12.659 1.00 25.00 N ATOM 672 CA ALA A 47 7.597 13.500 11.995 1.00 25.00 C ATOM 673 C ALA A 47 7.608 14.412 10.784 1.00 25.00 C ATOM 674 O ALA A 47 8.273 15.400 10.680 1.00 25.00 O ATOM 675 CB ALA A 47 6.503 13.844 13.063 1.00 25.00 C ATOM 0 H ALA A 47 8.977 14.229 13.458 1.00 25.00 H new ATOM 0 HA ALA A 47 7.370 12.501 11.624 1.00 25.00 H new ATOM 0 HB1 ALA A 47 5.516 13.781 12.606 1.00 25.00 H new ATOM 0 HB2 ALA A 47 6.566 13.136 13.889 1.00 25.00 H new ATOM 0 HB3 ALA A 47 6.666 14.854 13.438 1.00 25.00 H new ATOM 681 N ASP A 48 6.825 14.039 9.828 1.00 25.00 N ATOM 682 CA ASP A 48 6.504 14.854 8.688 1.00 25.00 C ATOM 683 C ASP A 48 4.996 14.522 8.528 1.00 25.00 C ATOM 684 O ASP A 48 4.468 13.722 9.344 1.00 25.00 O ATOM 685 CB ASP A 48 7.444 14.530 7.507 1.00 25.00 C ATOM 686 CG ASP A 48 7.236 15.430 6.265 1.00 25.00 C ATOM 687 OD1 ASP A 48 6.225 16.162 6.132 1.00 25.00 O ATOM 688 OD2 ASP A 48 8.123 15.497 5.388 1.00 25.00 O1- ATOM 0 H ASP A 48 6.371 13.126 9.812 1.00 25.00 H new ATOM 0 HA ASP A 48 6.655 15.930 8.770 1.00 25.00 H new ATOM 0 HB2 ASP A 48 8.477 14.626 7.842 1.00 25.00 H new ATOM 0 HB3 ASP A 48 7.299 13.490 7.216 1.00 25.00 H new ATOM 693 N GLY A 49 4.298 15.158 7.595 1.00 25.00 N ATOM 694 CA GLY A 49 2.892 15.314 7.775 1.00 25.00 C ATOM 695 C GLY A 49 2.618 16.268 8.894 1.00 25.00 C ATOM 696 O GLY A 49 1.635 16.098 9.571 1.00 25.00 O ATOM 0 H GLY A 49 4.682 15.557 6.738 1.00 25.00 H new ATOM 0 HA2 GLY A 49 2.439 15.682 6.854 1.00 25.00 H new ATOM 0 HA3 GLY A 49 2.436 14.348 7.991 1.00 25.00 H new ATOM 700 N GLN A 50 3.440 17.294 9.088 1.00 25.00 N ATOM 701 CA GLN A 50 3.431 18.227 10.224 1.00 25.00 C ATOM 702 C GLN A 50 3.481 19.561 9.427 1.00 25.00 C ATOM 703 O GLN A 50 4.358 20.460 9.614 1.00 25.00 O ATOM 704 CB GLN A 50 4.668 18.107 11.098 1.00 25.00 C ATOM 705 CG GLN A 50 4.669 16.845 11.965 1.00 25.00 C ATOM 706 CD GLN A 50 3.526 16.742 12.948 1.00 25.00 C ATOM 707 OE1 GLN A 50 3.267 17.614 13.781 1.00 25.00 O ATOM 708 NE2 GLN A 50 2.792 15.674 12.856 1.00 25.00 N ATOM 0 H GLN A 50 4.178 17.515 8.419 1.00 25.00 H new ATOM 0 HA GLN A 50 2.601 18.086 10.916 1.00 25.00 H new ATOM 0 HB2 GLN A 50 5.555 18.106 10.464 1.00 25.00 H new ATOM 0 HB3 GLN A 50 4.737 18.984 11.742 1.00 25.00 H new ATOM 0 HG2 GLN A 50 4.645 15.973 11.311 1.00 25.00 H new ATOM 0 HG3 GLN A 50 5.608 16.803 12.517 1.00 25.00 H new ATOM 0 HE21 GLN A 50 3.016 14.960 12.163 1.00 25.00 H new ATOM 0 HE22 GLN A 50 1.992 15.550 13.476 1.00 25.00 H new ATOM 717 N ILE A 51 2.511 19.633 8.547 1.00 25.00 N ATOM 718 CA ILE A 51 2.296 20.818 7.703 1.00 25.00 C ATOM 719 C ILE A 51 1.686 21.927 8.590 1.00 25.00 C ATOM 720 O ILE A 51 2.067 23.104 8.485 1.00 25.00 O ATOM 721 CB ILE A 51 1.299 20.499 6.552 1.00 25.00 C ATOM 722 CG1 ILE A 51 1.868 19.369 5.678 1.00 25.00 C ATOM 723 CG2 ILE A 51 1.086 21.785 5.809 1.00 25.00 C ATOM 724 CD1 ILE A 51 1.044 18.943 4.577 1.00 25.00 C ATOM 0 H ILE A 51 1.841 18.881 8.385 1.00 25.00 H new ATOM 0 HA ILE A 51 3.245 21.131 7.268 1.00 25.00 H new ATOM 0 HB ILE A 51 0.336 20.136 6.911 1.00 25.00 H new ATOM 0 HG12 ILE A 51 2.830 19.694 5.281 1.00 25.00 H new ATOM 0 HG13 ILE A 51 2.061 18.506 6.316 1.00 25.00 H new ATOM 0 HG21 ILE A 51 0.391 21.619 4.986 1.00 25.00 H new ATOM 0 HG22 ILE A 51 0.674 22.533 6.487 1.00 25.00 H new ATOM 0 HG23 ILE A 51 2.038 22.139 5.414 1.00 25.00 H new ATOM 0 HD11 ILE A 51 1.548 18.143 4.034 1.00 25.00 H new ATOM 0 HD12 ILE A 51 0.090 18.578 4.957 1.00 25.00 H new ATOM 0 HD13 ILE A 51 0.870 19.784 3.906 1.00 25.00 H new ATOM 736 N ALA A 52 0.926 21.540 9.605 1.00 25.00 N ATOM 737 CA ALA A 52 0.193 22.470 10.481 1.00 25.00 C ATOM 738 C ALA A 52 1.019 23.165 11.558 1.00 25.00 C ATOM 739 O ALA A 52 0.709 24.281 11.966 1.00 25.00 O ATOM 740 CB ALA A 52 -0.950 21.765 11.267 1.00 25.00 C ATOM 0 H ALA A 52 0.793 20.560 9.854 1.00 25.00 H new ATOM 0 HA ALA A 52 -0.163 23.205 9.760 1.00 25.00 H new ATOM 0 HB1 ALA A 52 -1.460 22.493 11.898 1.00 25.00 H new ATOM 0 HB2 ALA A 52 -1.662 21.332 10.564 1.00 25.00 H new ATOM 0 HB3 ALA A 52 -0.530 20.975 11.890 1.00 25.00 H new ATOM 746 N SER A 53 2.037 22.530 12.043 1.00 25.00 N ATOM 747 CA SER A 53 3.025 23.244 12.908 1.00 25.00 C ATOM 748 C SER A 53 4.161 23.874 12.106 1.00 25.00 C ATOM 749 O SER A 53 5.089 24.463 12.714 1.00 25.00 O ATOM 750 CB SER A 53 3.640 22.142 13.861 1.00 25.00 C ATOM 751 OG SER A 53 4.205 21.160 12.970 1.00 25.00 O ATOM 0 H SER A 53 2.236 21.543 11.882 1.00 25.00 H new ATOM 0 HA SER A 53 2.524 24.053 13.440 1.00 25.00 H new ATOM 0 HB2 SER A 53 4.401 22.566 14.517 1.00 25.00 H new ATOM 0 HB3 SER A 53 2.876 21.702 14.502 1.00 25.00 H new ATOM 0 HG SER A 53 4.611 20.438 13.494 1.00 25.00 H new ATOM 757 N ALA A 54 4.140 23.578 10.810 1.00 25.00 N ATOM 758 CA ALA A 54 5.161 23.842 9.853 1.00 25.00 C ATOM 759 C ALA A 54 6.444 23.155 10.216 1.00 25.00 C ATOM 760 O ALA A 54 7.511 23.357 9.618 1.00 25.00 O ATOM 761 CB ALA A 54 5.343 25.316 9.536 1.00 25.00 C ATOM 0 H ALA A 54 3.337 23.111 10.389 1.00 25.00 H new ATOM 0 HA ALA A 54 4.817 23.407 8.915 1.00 25.00 H new ATOM 0 HB1 ALA A 54 6.138 25.434 8.800 1.00 25.00 H new ATOM 0 HB2 ALA A 54 4.413 25.719 9.134 1.00 25.00 H new ATOM 0 HB3 ALA A 54 5.608 25.854 10.446 1.00 25.00 H new ATOM 767 N GLY A 55 6.396 22.225 11.152 1.00 25.00 N ATOM 768 CA GLY A 55 7.610 21.584 11.605 1.00 25.00 C ATOM 769 C GLY A 55 8.219 20.747 10.527 1.00 25.00 C ATOM 770 O GLY A 55 9.427 20.798 10.234 1.00 25.00 O ATOM 0 H GLY A 55 5.541 21.902 11.606 1.00 25.00 H new ATOM 0 HA2 GLY A 55 8.325 22.341 11.927 1.00 25.00 H new ATOM 0 HA3 GLY A 55 7.393 20.961 12.473 1.00 25.00 H new ATOM 774 N GLY A 56 7.326 20.170 9.724 1.00 25.00 N ATOM 775 CA GLY A 56 7.740 19.340 8.588 1.00 25.00 C ATOM 776 C GLY A 56 8.130 20.176 7.413 1.00 25.00 C ATOM 777 O GLY A 56 8.564 19.637 6.435 1.00 25.00 O ATOM 0 H GLY A 56 6.316 20.260 9.836 1.00 25.00 H new ATOM 0 HA2 GLY A 56 8.580 18.711 8.883 1.00 25.00 H new ATOM 0 HA3 GLY A 56 6.925 18.673 8.307 1.00 25.00 H new ATOM 781 N LEU A 57 8.047 21.501 7.524 1.00 25.00 N ATOM 782 CA LEU A 57 8.401 22.369 6.421 1.00 25.00 C ATOM 783 C LEU A 57 9.614 23.180 6.639 1.00 25.00 C ATOM 784 O LEU A 57 10.385 23.510 5.709 1.00 25.00 O ATOM 785 CB LEU A 57 7.238 23.395 6.263 1.00 25.00 C ATOM 786 CG LEU A 57 5.831 22.833 6.213 1.00 25.00 C ATOM 787 CD1 LEU A 57 4.938 24.052 6.057 1.00 50.00 C ATOM 788 CD2 LEU A 57 5.621 21.875 4.985 1.00 50.00 C ATOM 0 H LEU A 57 7.738 21.987 8.366 1.00 25.00 H new ATOM 0 HA LEU A 57 8.580 21.723 5.562 1.00 25.00 H new ATOM 0 HB2 LEU A 57 7.293 24.100 7.092 1.00 25.00 H new ATOM 0 HB3 LEU A 57 7.409 23.964 5.349 1.00 25.00 H new ATOM 0 HG LEU A 57 5.615 22.243 7.104 1.00 25.00 H new ATOM 0 HD11 LEU A 57 3.896 23.736 6.012 1.00 50.00 H new ATOM 0 HD12 LEU A 57 5.079 24.718 6.909 1.00 50.00 H new ATOM 0 HD13 LEU A 57 5.198 24.578 5.138 1.00 50.00 H new ATOM 0 HD21 LEU A 57 4.599 21.496 4.990 1.00 50.00 H new ATOM 0 HD22 LEU A 57 5.800 22.424 4.061 1.00 50.00 H new ATOM 0 HD23 LEU A 57 6.318 21.040 5.052 1.00 50.00 H new ATOM 800 N PHE A 58 9.969 23.243 7.889 1.00 25.00 N ATOM 801 CA PHE A 58 11.283 23.654 8.358 1.00 25.00 C ATOM 802 C PHE A 58 12.215 22.520 8.012 1.00 25.00 C ATOM 803 O PHE A 58 13.324 22.724 7.559 1.00 25.00 O ATOM 804 CB PHE A 58 11.351 23.990 9.876 1.00 25.00 C ATOM 805 CG PHE A 58 10.328 25.038 10.323 1.00 25.00 C ATOM 806 CD1 PHE A 58 9.690 24.782 11.548 1.00 50.00 C ATOM 807 CD2 PHE A 58 10.073 26.248 9.639 1.00 50.00 C ATOM 808 CE1 PHE A 58 8.690 25.602 12.013 1.00 25.00 C ATOM 809 CE2 PHE A 58 9.068 27.149 10.092 1.00 25.00 C ATOM 810 CZ PHE A 58 8.366 26.758 11.285 1.00 25.00 C ATOM 0 H PHE A 58 9.333 23.002 8.649 1.00 25.00 H new ATOM 0 HA PHE A 58 11.560 24.590 7.873 1.00 25.00 H new ATOM 0 HB2 PHE A 58 11.194 23.076 10.448 1.00 25.00 H new ATOM 0 HB3 PHE A 58 12.352 24.348 10.115 1.00 25.00 H new ATOM 0 HD1 PHE A 58 9.990 23.926 12.134 1.00 50.00 H new ATOM 0 HD2 PHE A 58 10.649 26.493 8.759 1.00 50.00 H new ATOM 0 HE1 PHE A 58 8.162 25.361 12.924 1.00 25.00 H new ATOM 0 HE2 PHE A 58 8.846 28.069 9.572 1.00 25.00 H new ATOM 0 HZ PHE A 58 7.556 27.380 11.636 1.00 25.00 H new ATOM 820 N GLY A 59 11.688 21.320 8.100 1.00 25.00 N ATOM 821 CA GLY A 59 12.376 20.074 7.722 1.00 25.00 C ATOM 822 C GLY A 59 12.344 19.890 6.191 1.00 25.00 C ATOM 823 O GLY A 59 12.997 19.050 5.619 1.00 25.00 O ATOM 0 H GLY A 59 10.741 21.163 8.445 1.00 25.00 H new ATOM 0 HA2 GLY A 59 13.408 20.100 8.071 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.897 19.224 8.208 1.00 25.00 H new ATOM 827 N GLY A 60 11.527 20.729 5.581 1.00 25.00 N ATOM 828 CA GLY A 60 11.317 20.732 4.159 1.00 25.00 C ATOM 829 C GLY A 60 12.512 21.112 3.357 1.00 25.00 C ATOM 830 O GLY A 60 12.850 20.543 2.314 1.00 25.00 O ATOM 0 H GLY A 60 10.985 21.437 6.076 1.00 25.00 H new ATOM 0 HA2 GLY A 60 10.990 19.739 3.851 1.00 25.00 H new ATOM 0 HA3 GLY A 60 10.505 21.421 3.926 1.00 25.00 H new ATOM 834 N ILE A 61 13.341 21.943 3.951 1.00 25.00 N ATOM 835 CA ILE A 61 14.539 22.405 3.271 1.00 25.00 C ATOM 836 C ILE A 61 15.535 21.249 3.281 1.00 25.00 C ATOM 837 O ILE A 61 16.234 20.952 2.292 1.00 25.00 O ATOM 838 CB ILE A 61 15.100 23.651 4.066 1.00 25.00 C ATOM 839 CG1 ILE A 61 14.178 24.857 3.800 1.00 25.00 C ATOM 840 CG2 ILE A 61 16.565 24.024 3.540 1.00 25.00 C ATOM 841 CD1 ILE A 61 14.399 26.141 4.687 1.00 25.00 C ATOM 0 H ILE A 61 13.213 22.311 4.893 1.00 25.00 H new ATOM 0 HA ILE A 61 14.346 22.708 2.242 1.00 25.00 H new ATOM 0 HB ILE A 61 15.140 23.410 5.128 1.00 25.00 H new ATOM 0 HG12 ILE A 61 14.291 25.145 2.755 1.00 25.00 H new ATOM 0 HG13 ILE A 61 13.147 24.529 3.931 1.00 25.00 H new ATOM 0 HG21 ILE A 61 16.943 24.883 4.094 1.00 25.00 H new ATOM 0 HG22 ILE A 61 17.232 23.175 3.689 1.00 25.00 H new ATOM 0 HG23 ILE A 61 16.519 24.268 2.479 1.00 25.00 H new ATOM 0 HD11 ILE A 61 13.685 26.912 4.396 1.00 25.00 H new ATOM 0 HD12 ILE A 61 14.251 25.888 5.737 1.00 25.00 H new ATOM 0 HD13 ILE A 61 15.413 26.513 4.543 1.00 25.00 H new ATOM 853 N LEU A 62 15.613 20.499 4.386 1.00 25.00 N ATOM 854 CA LEU A 62 16.527 19.324 4.469 1.00 25.00 C ATOM 855 C LEU A 62 16.023 18.203 3.535 1.00 25.00 C ATOM 856 O LEU A 62 16.774 17.380 3.128 1.00 25.00 O ATOM 857 CB LEU A 62 16.535 18.822 5.895 1.00 25.00 C ATOM 858 CG LEU A 62 17.229 19.556 7.103 1.00 25.00 C ATOM 859 CD1 LEU A 62 16.589 20.919 7.575 1.00 75.00 C ATOM 860 CD2 LEU A 62 17.096 18.540 8.365 1.00 75.00 C ATOM 0 H LEU A 62 15.068 20.670 5.231 1.00 25.00 H new ATOM 0 HA LEU A 62 17.533 19.615 4.165 1.00 25.00 H new ATOM 0 HB2 LEU A 62 15.489 18.703 6.177 1.00 25.00 H new ATOM 0 HB3 LEU A 62 16.971 17.824 5.859 1.00 25.00 H new ATOM 0 HG LEU A 62 18.237 19.803 6.768 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.161 21.319 8.412 1.00 75.00 H new ATOM 0 HD12 LEU A 62 16.604 21.632 6.751 1.00 75.00 H new ATOM 0 HD13 LEU A 62 15.559 20.748 7.889 1.00 75.00 H new ATOM 0 HD21 LEU A 62 17.560 18.988 9.244 1.00 75.00 H new ATOM 0 HD22 LEU A 62 16.042 18.349 8.569 1.00 75.00 H new ATOM 0 HD23 LEU A 62 17.597 17.601 8.130 1.00 75.00 H new ATOM 872 N ASP A 63 14.739 18.125 3.268 1.00 25.00 N ATOM 873 CA ASP A 63 14.226 17.106 2.312 1.00 25.00 C ATOM 874 C ASP A 63 14.704 17.402 0.896 1.00 25.00 C ATOM 875 O ASP A 63 14.846 16.504 0.048 1.00 25.00 O ATOM 876 CB ASP A 63 12.768 17.042 2.415 1.00 25.00 C ATOM 877 CG ASP A 63 12.187 15.849 1.651 1.00 25.00 C ATOM 878 OD1 ASP A 63 11.474 16.092 0.705 1.00 50.00 O ATOM 879 OD2 ASP A 63 12.467 14.687 2.091 1.00 50.00 O1- ATOM 0 H ASP A 63 14.026 18.729 3.676 1.00 25.00 H new ATOM 0 HA ASP A 63 14.624 16.124 2.567 1.00 25.00 H new ATOM 0 HB2 ASP A 63 12.482 16.973 3.465 1.00 25.00 H new ATOM 0 HB3 ASP A 63 12.337 17.965 2.027 1.00 25.00 H new ATOM 884 N GLN A 64 14.962 18.671 0.588 1.00 25.00 N ATOM 885 CA GLN A 64 15.425 19.040 -0.749 1.00 25.00 C ATOM 886 C GLN A 64 16.919 18.743 -0.819 1.00 25.00 C ATOM 887 O GLN A 64 17.573 18.960 -1.827 1.00 25.00 O ATOM 888 CB GLN A 64 15.147 20.505 -1.007 1.00 25.00 C ATOM 889 CG GLN A 64 13.654 20.743 -1.023 1.00 25.00 C ATOM 890 CD GLN A 64 13.211 22.214 -0.810 1.00 25.00 C ATOM 891 OE1 GLN A 64 13.912 23.055 -0.190 1.00 25.00 O ATOM 892 NE2 GLN A 64 11.991 22.564 -1.230 1.00 25.00 N ATOM 0 H GLN A 64 14.860 19.452 1.236 1.00 25.00 H new ATOM 0 HA GLN A 64 14.899 18.469 -1.514 1.00 25.00 H new ATOM 0 HB2 GLN A 64 15.614 21.116 -0.235 1.00 25.00 H new ATOM 0 HB3 GLN A 64 15.584 20.806 -1.959 1.00 25.00 H new ATOM 0 HG2 GLN A 64 13.259 20.397 -1.978 1.00 25.00 H new ATOM 0 HG3 GLN A 64 13.197 20.128 -0.248 1.00 25.00 H new ATOM 0 HE21 GLN A 64 11.413 21.892 -1.734 1.00 25.00 H new ATOM 0 HE22 GLN A 64 11.639 23.503 -1.047 1.00 25.00 H new ATOM 901 N GLN A 65 17.476 18.167 0.246 1.00 25.00 N ATOM 902 CA GLN A 65 18.855 17.771 0.326 1.00 25.00 C ATOM 903 C GLN A 65 18.771 16.299 0.788 1.00 25.00 C ATOM 904 O GLN A 65 19.482 15.838 1.675 1.00 25.00 O ATOM 905 CB GLN A 65 19.521 18.634 1.418 1.00 25.00 C ATOM 906 CG GLN A 65 21.000 18.570 1.533 1.00 25.00 C ATOM 907 CD GLN A 65 21.593 19.393 2.692 1.00 25.00 C ATOM 908 OE1 GLN A 65 20.908 19.919 3.544 1.00 25.00 O ATOM 909 NE2 GLN A 65 22.896 19.422 2.728 1.00 25.00 N ATOM 0 H GLN A 65 16.951 17.963 1.096 1.00 25.00 H new ATOM 0 HA GLN A 65 19.421 17.886 -0.598 1.00 25.00 H new ATOM 0 HB2 GLN A 65 19.242 19.673 1.243 1.00 25.00 H new ATOM 0 HB3 GLN A 65 19.096 18.347 2.380 1.00 25.00 H new ATOM 0 HG2 GLN A 65 21.296 17.528 1.657 1.00 25.00 H new ATOM 0 HG3 GLN A 65 21.439 18.917 0.598 1.00 25.00 H new ATOM 0 HE21 GLN A 65 23.437 18.967 1.992 1.00 25.00 H new ATOM 0 HE22 GLN A 65 23.375 19.899 3.492 1.00 25.00 H new ATOM 918 N SER A 66 17.845 15.529 0.182 1.00 25.00 N ATOM 919 CA SER A 66 17.635 14.076 0.507 1.00 25.00 C ATOM 920 C SER A 66 17.499 13.255 -0.810 1.00 25.00 C ATOM 921 O SER A 66 17.117 13.760 -1.874 1.00 25.00 O ATOM 922 CB SER A 66 16.355 13.877 1.240 1.00 25.00 C ATOM 923 OG SER A 66 16.330 12.542 1.756 1.00 25.00 O ATOM 0 H SER A 66 17.219 15.879 -0.543 1.00 25.00 H new ATOM 0 HA SER A 66 18.486 13.754 1.107 1.00 25.00 H new ATOM 0 HB2 SER A 66 16.267 14.599 2.052 1.00 25.00 H new ATOM 0 HB3 SER A 66 15.508 14.042 0.574 1.00 25.00 H new ATOM 0 HG SER A 66 15.507 12.406 2.271 1.00 25.00 H new ATOM 929 N GLU A 67 17.704 11.949 -0.668 1.00 25.00 N ATOM 930 CA GLU A 67 17.232 10.988 -1.686 1.00 25.00 C ATOM 931 C GLU A 67 15.683 11.054 -1.862 1.00 25.00 C ATOM 932 O GLU A 67 15.150 10.784 -2.938 1.00 25.00 O ATOM 933 CB GLU A 67 17.563 9.572 -1.327 1.00 25.00 C ATOM 934 CG GLU A 67 19.034 9.315 -1.361 1.00 25.00 C ATOM 935 CD GLU A 67 19.476 7.849 -1.103 1.00 25.00 C ATOM 936 OE1 GLU A 67 20.398 7.422 -1.806 1.00 25.00 O ATOM 937 OE2 GLU A 67 18.983 7.167 -0.127 1.00 25.00 O1- ATOM 0 H GLU A 67 18.185 11.527 0.126 1.00 25.00 H new ATOM 0 HA GLU A 67 17.742 11.273 -2.606 1.00 25.00 H new ATOM 0 HB2 GLU A 67 17.179 9.352 -0.331 1.00 25.00 H new ATOM 0 HB3 GLU A 67 17.061 8.896 -2.019 1.00 25.00 H new ATOM 0 HG2 GLU A 67 19.414 9.622 -2.336 1.00 25.00 H new ATOM 0 HG3 GLU A 67 19.511 9.953 -0.618 1.00 25.00 H new ATOM 944 N ASN A 68 15.013 11.423 -0.783 1.00 25.00 N ATOM 945 CA ASN A 68 13.519 11.548 -0.722 1.00 25.00 C ATOM 946 C ASN A 68 12.932 12.773 -1.482 1.00 25.00 C ATOM 947 O ASN A 68 11.743 13.066 -1.437 1.00 25.00 O ATOM 948 CB ASN A 68 13.068 11.498 0.726 1.00 25.00 C ATOM 949 CG ASN A 68 13.530 10.231 1.423 1.00 25.00 C ATOM 950 OD1 ASN A 68 13.432 9.114 0.900 1.00 25.00 O ATOM 951 ND2 ASN A 68 13.962 10.380 2.646 1.00 25.00 N ATOM 0 H ASN A 68 15.472 11.652 0.098 1.00 25.00 H new ATOM 0 HA ASN A 68 13.110 10.695 -1.263 1.00 25.00 H new ATOM 0 HB2 ASN A 68 13.458 12.366 1.257 1.00 25.00 H new ATOM 0 HB3 ASN A 68 11.981 11.559 0.769 1.00 25.00 H new ATOM 0 HD21 ASN A 68 14.229 9.563 3.196 1.00 25.00 H new ATOM 0 HD22 ASN A 68 14.033 11.313 3.052 1.00 25.00 H new ATOM 958 N ARG A 69 13.797 13.557 -2.098 1.00 25.00 N ATOM 959 CA ARG A 69 13.392 14.603 -3.013 1.00 25.00 C ATOM 960 C ARG A 69 13.025 13.867 -4.251 1.00 25.00 C ATOM 961 O ARG A 69 13.821 13.526 -5.160 1.00 25.00 O ATOM 962 CB ARG A 69 14.499 15.603 -3.333 1.00 25.00 C ATOM 963 CG ARG A 69 13.971 16.891 -4.040 1.00 25.00 C ATOM 964 CD ARG A 69 15.128 17.815 -4.276 1.00 25.00 C ATOM 965 NE ARG A 69 15.954 17.409 -5.444 1.00 25.00 N ATOM 966 CZ ARG A 69 17.003 18.083 -5.885 1.00 25.00 C ATOM 967 NH1 ARG A 69 17.375 19.264 -5.421 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 17.742 17.621 -6.837 1.00 25.00 N ATOM 0 H ARG A 69 14.807 13.484 -1.975 1.00 25.00 H new ATOM 0 HA ARG A 69 12.589 15.198 -2.578 1.00 25.00 H new ATOM 0 HB2 ARG A 69 15.006 15.884 -2.410 1.00 25.00 H new ATOM 0 HB3 ARG A 69 15.241 15.123 -3.971 1.00 25.00 H new ATOM 0 HG2 ARG A 69 13.493 16.635 -4.985 1.00 25.00 H new ATOM 0 HG3 ARG A 69 13.217 17.379 -3.423 1.00 25.00 H new ATOM 0 HD2 ARG A 69 14.754 18.827 -4.434 1.00 25.00 H new ATOM 0 HD3 ARG A 69 15.754 17.842 -3.384 1.00 25.00 H new ATOM 0 HE ARG A 69 15.695 16.555 -5.937 1.00 25.00 H new ATOM 0 HH11 ARG A 69 16.840 19.711 -4.676 1.00 25.00 H new ATOM 0 HH12 ARG A 69 18.197 19.728 -5.808 1.00 25.00 H new ATOM 0 HH21 ARG A 69 17.521 16.721 -7.263 1.00 25.00 H new ATOM 0 HH22 ARG A 69 18.547 18.156 -7.163 1.00 25.00 H new ATOM 982 N TRP A 70 11.730 13.592 -4.284 1.00 25.00 N ATOM 983 CA TRP A 70 10.996 13.105 -5.481 1.00 25.00 C ATOM 984 C TRP A 70 11.432 13.956 -6.683 1.00 25.00 C ATOM 985 O TRP A 70 11.766 15.162 -6.512 1.00 25.00 O ATOM 986 CB TRP A 70 9.486 13.132 -5.197 1.00 25.00 C ATOM 987 CG TRP A 70 9.000 12.255 -4.061 1.00 25.00 C ATOM 988 CD1 TRP A 70 9.109 12.520 -2.746 1.00 25.00 C ATOM 989 CD2 TRP A 70 8.266 11.018 -4.147 1.00 25.00 C ATOM 990 NE1 TRP A 70 8.469 11.588 -1.966 1.00 25.00 N ATOM 991 CE2 TRP A 70 7.918 10.638 -2.797 1.00 25.00 C ATOM 992 CE3 TRP A 70 7.739 10.278 -5.219 1.00 25.00 C ATOM 993 CZ2 TRP A 70 7.142 9.519 -2.543 1.00 25.00 C ATOM 994 CZ3 TRP A 70 6.987 9.113 -4.907 1.00 25.00 C ATOM 995 CH2 TRP A 70 6.677 8.763 -3.591 1.00 25.00 C ATOM 0 H TRP A 70 11.129 13.698 -3.467 1.00 25.00 H new ATOM 0 HA TRP A 70 11.232 12.068 -5.720 1.00 25.00 H new ATOM 0 HB2 TRP A 70 9.197 14.161 -4.983 1.00 25.00 H new ATOM 0 HB3 TRP A 70 8.962 12.836 -6.106 1.00 25.00 H new ATOM 0 HD1 TRP A 70 9.641 13.371 -2.348 1.00 25.00 H new ATOM 0 HE1 TRP A 70 8.412 11.598 -0.948 1.00 25.00 H new ATOM 0 HE3 TRP A 70 7.899 10.583 -6.242 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 6.904 9.243 -1.526 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 6.645 8.479 -5.712 1.00 25.00 H new ATOM 0 HH2 TRP A 70 6.068 7.893 -3.396 1.00 25.00 H new ATOM 1006 N PHE A 71 11.325 13.370 -7.834 1.00 25.00 N ATOM 1007 CA PHE A 71 11.842 13.969 -9.052 1.00 25.00 C ATOM 1008 C PHE A 71 11.308 15.374 -9.369 1.00 25.00 C ATOM 1009 O PHE A 71 10.125 15.632 -9.135 1.00 25.00 O ATOM 1010 CB PHE A 71 11.625 12.985 -10.218 1.00 25.00 C ATOM 1011 CG PHE A 71 10.209 12.817 -10.638 1.00 25.00 C ATOM 1012 CD1 PHE A 71 9.309 11.968 -9.937 1.00 50.00 C ATOM 1013 CD2 PHE A 71 9.758 13.448 -11.828 1.00 50.00 C ATOM 1014 CE1 PHE A 71 8.047 11.742 -10.348 1.00 25.00 C ATOM 1015 CE2 PHE A 71 8.451 13.198 -12.283 1.00 25.00 C ATOM 1016 CZ PHE A 71 7.613 12.304 -11.562 1.00 25.00 C ATOM 0 H PHE A 71 10.879 12.463 -7.970 1.00 25.00 H new ATOM 0 HA PHE A 71 12.907 14.141 -8.895 1.00 25.00 H new ATOM 0 HB2 PHE A 71 12.205 13.326 -11.075 1.00 25.00 H new ATOM 0 HB3 PHE A 71 12.022 12.011 -9.931 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.653 11.483 -9.035 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.410 14.111 -12.376 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.377 11.138 -9.754 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.086 13.683 -13.176 1.00 25.00 H new ATOM 0 HZ PHE A 71 6.636 12.055 -11.949 1.00 25.00 H new ATOM 1026 N LYS A 72 12.141 16.300 -9.775 1.00 25.00 N ATOM 1027 CA LYS A 72 11.742 17.724 -10.159 1.00 25.00 C ATOM 1028 C LYS A 72 11.498 17.889 -11.659 1.00 25.00 C ATOM 1029 O LYS A 72 12.010 17.006 -12.443 1.00 25.00 O ATOM 1030 CB LYS A 72 12.837 18.762 -9.721 1.00 25.00 C ATOM 1031 CG LYS A 72 13.229 18.775 -8.292 1.00 25.00 C ATOM 1032 CD LYS A 72 13.877 20.129 -7.851 1.00 25.00 C ATOM 1033 CE LYS A 72 15.304 20.377 -8.365 1.00 25.00 C ATOM 1034 NZ LYS A 72 15.744 21.710 -7.867 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.143 16.130 -9.866 1.00 25.00 H new ATOM 0 HA LYS A 72 10.808 17.915 -9.631 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.732 18.578 -10.315 1.00 25.00 H new ATOM 0 HB3 LYS A 72 12.481 19.758 -9.982 1.00 25.00 H new ATOM 0 HG2 LYS A 72 12.350 18.582 -7.677 1.00 25.00 H new ATOM 0 HG3 LYS A 72 13.933 17.964 -8.106 1.00 25.00 H new ATOM 0 HD2 LYS A 72 13.240 20.945 -8.192 1.00 25.00 H new ATOM 0 HD3 LYS A 72 13.890 20.168 -6.762 1.00 25.00 H new ATOM 0 HE2 LYS A 72 15.978 19.596 -8.012 1.00 25.00 H new ATOM 0 HE3 LYS A 72 15.327 20.350 -9.454 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 16.710 21.904 -8.201 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 15.100 22.444 -8.225 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.730 21.714 -6.827 1.00 25.00 H new ATOM 1048 N HIS A 73 10.714 18.879 -12.057 1.00 25.00 N ATOM 1049 CA HIS A 73 10.470 19.115 -13.475 1.00 25.00 C ATOM 1050 C HIS A 73 10.133 20.597 -13.621 1.00 25.00 C ATOM 1051 O HIS A 73 9.646 21.203 -12.629 1.00 25.00 O ATOM 1052 CB HIS A 73 9.211 18.306 -13.977 1.00 25.00 C ATOM 1053 CG HIS A 73 9.508 17.059 -14.755 1.00 25.00 C ATOM 1054 ND1 HIS A 73 10.433 16.997 -15.778 1.00 25.00 N ATOM 1055 CD2 HIS A 73 9.034 15.758 -14.654 1.00 25.00 C ATOM 1056 CE1 HIS A 73 10.621 15.758 -16.197 1.00 25.00 C ATOM 1057 NE2 HIS A 73 9.746 14.975 -15.575 1.00 25.00 N ATOM 0 H HIS A 73 10.240 19.527 -11.428 1.00 25.00 H new ATOM 0 HA HIS A 73 11.345 18.810 -14.050 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.606 18.037 -13.111 1.00 25.00 H new ATOM 0 HB3 HIS A 73 8.603 18.964 -14.598 1.00 25.00 H new ATOM 0 HD2 HIS A 73 8.258 15.412 -13.987 1.00 25.00 H new ATOM 0 HE1 HIS A 73 11.357 15.438 -16.919 1.00 25.00 H new ATOM 0 HE2 HIS A 73 9.615 13.977 -15.739 1.00 25.00 H new ATOM 1065 N ILE A 74 10.424 21.187 -14.789 1.00 25.00 N ATOM 1066 CA ILE A 74 9.951 22.548 -15.133 1.00 25.00 C ATOM 1067 C ILE A 74 8.573 22.442 -15.770 1.00 25.00 C ATOM 1068 O ILE A 74 8.385 21.579 -16.621 1.00 25.00 O ATOM 1069 CB ILE A 74 10.977 23.340 -15.998 1.00 25.00 C ATOM 1070 CG1 ILE A 74 10.560 24.828 -15.984 1.00 25.00 C ATOM 1071 CG2 ILE A 74 11.101 22.826 -17.484 1.00 25.00 C ATOM 1072 CD1 ILE A 74 11.647 25.797 -16.658 1.00 25.00 C ATOM 0 H ILE A 74 10.986 20.747 -15.518 1.00 25.00 H new ATOM 0 HA ILE A 74 9.862 23.139 -14.221 1.00 25.00 H new ATOM 0 HB ILE A 74 11.963 23.191 -15.559 1.00 25.00 H new ATOM 0 HG12 ILE A 74 9.611 24.937 -16.509 1.00 25.00 H new ATOM 0 HG13 ILE A 74 10.393 25.142 -14.954 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.835 23.430 -18.018 1.00 25.00 H new ATOM 0 HG22 ILE A 74 11.420 21.784 -17.483 1.00 25.00 H new ATOM 0 HG23 ILE A 74 10.134 22.909 -17.979 1.00 25.00 H new ATOM 0 HD11 ILE A 74 11.293 26.827 -16.615 1.00 25.00 H new ATOM 0 HD12 ILE A 74 12.591 25.715 -16.119 1.00 25.00 H new ATOM 0 HD13 ILE A 74 11.797 25.508 -17.698 1.00 25.00 H new ATOM 1084 N MET A 75 7.621 23.272 -15.394 1.00 25.00 N ATOM 1085 CA MET A 75 6.228 23.148 -15.794 1.00 25.00 C ATOM 1086 C MET A 75 5.631 24.558 -15.981 1.00 25.00 C ATOM 1087 O MET A 75 6.276 25.550 -15.898 1.00 25.00 O ATOM 1088 CB MET A 75 5.491 22.418 -14.682 1.00 25.00 C ATOM 1089 CG MET A 75 5.980 20.982 -14.483 1.00 25.00 C ATOM 1090 SD MET A 75 4.690 19.954 -13.637 1.00 25.00 S ATOM 1091 CE MET A 75 3.686 19.370 -14.947 1.00 25.00 C ATOM 0 H MET A 75 7.796 24.072 -14.787 1.00 25.00 H new ATOM 0 HA MET A 75 6.137 22.598 -16.731 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.613 22.970 -13.750 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.425 22.405 -14.908 1.00 25.00 H new ATOM 0 HG2 MET A 75 6.227 20.541 -15.449 1.00 25.00 H new ATOM 0 HG3 MET A 75 6.895 20.984 -13.891 1.00 25.00 H new ATOM 0 HE1 MET A 75 2.888 18.747 -14.544 1.00 25.00 H new ATOM 0 HE2 MET A 75 3.252 20.217 -15.478 1.00 25.00 H new ATOM 0 HE3 MET A 75 4.292 18.782 -15.636 1.00 25.00 H new ATOM 1101 N THR A 76 4.337 24.652 -16.202 1.00 25.00 N ATOM 1102 CA THR A 76 3.691 25.912 -16.468 1.00 25.00 C ATOM 1103 C THR A 76 2.568 25.975 -15.484 1.00 25.00 C ATOM 1104 O THR A 76 2.340 24.993 -14.859 1.00 25.00 O ATOM 1105 CB THR A 76 3.120 26.036 -17.918 1.00 25.00 C ATOM 1106 OG1 THR A 76 2.310 24.910 -18.198 1.00 25.00 O ATOM 1107 CG2 THR A 76 4.160 26.192 -18.881 1.00 25.00 C ATOM 0 H THR A 76 3.705 23.852 -16.201 1.00 25.00 H new ATOM 0 HA THR A 76 4.412 26.724 -16.377 1.00 25.00 H new ATOM 0 HB THR A 76 2.507 26.935 -17.982 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.949 24.985 -19.106 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.724 26.275 -19.877 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.730 27.094 -18.658 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.822 25.327 -18.845 1.00 25.00 H new ATOM 1115 N GLY A 77 1.877 27.106 -15.394 1.00 25.00 N ATOM 1116 CA GLY A 77 0.713 27.264 -14.508 1.00 25.00 C ATOM 1117 C GLY A 77 -0.516 26.467 -14.990 1.00 25.00 C ATOM 1118 O GLY A 77 -0.532 25.861 -16.080 1.00 25.00 O ATOM 0 H GLY A 77 2.102 27.944 -15.931 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.980 26.938 -13.503 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.453 28.320 -14.442 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.594 26.603 -14.252 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.862 26.046 -14.678 1.00 25.00 C ATOM 1124 C GLY A 78 -2.989 24.552 -14.250 1.00 25.00 C ATOM 1125 O GLY A 78 -2.273 24.204 -13.328 1.00 25.00 O ATOM 0 H GLY A 78 -1.621 27.092 -13.357 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.680 26.622 -14.246 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.953 26.127 -15.761 1.00 25.00 H new ATOM 1129 N GLU A 79 -3.801 23.727 -14.900 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.032 22.396 -14.375 1.00 25.00 C ATOM 1131 C GLU A 79 -2.926 21.314 -14.462 1.00 25.00 C ATOM 1132 O GLU A 79 -2.263 21.182 -15.469 1.00 25.00 O ATOM 1133 CB GLU A 79 -5.372 21.890 -14.973 1.00 25.00 C ATOM 1134 CG GLU A 79 -6.564 22.686 -14.506 1.00 25.00 C ATOM 1135 CD GLU A 79 -7.727 21.802 -14.285 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -8.046 21.668 -13.080 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -8.368 21.143 -15.203 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.295 23.950 -15.764 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.045 22.538 -13.294 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.317 21.933 -16.061 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -5.512 20.844 -14.702 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -6.318 23.210 -13.582 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -6.814 23.445 -15.247 1.00 25.00 H new ATOM 1144 N HIS A 80 -2.841 20.498 -13.437 1.00 25.00 N ATOM 1145 CA HIS A 80 -1.850 19.404 -13.396 1.00 25.00 C ATOM 1146 C HIS A 80 -2.728 18.214 -13.138 1.00 25.00 C ATOM 1147 O HIS A 80 -3.679 18.316 -12.330 1.00 25.00 O ATOM 1148 CB HIS A 80 -0.911 19.765 -12.204 1.00 25.00 C ATOM 1149 CG HIS A 80 0.157 20.814 -12.503 1.00 25.00 C ATOM 1150 ND1 HIS A 80 1.541 20.730 -12.142 1.00 25.00 N ATOM 1151 CD2 HIS A 80 0.062 21.998 -13.168 1.00 25.00 C ATOM 1152 CE1 HIS A 80 2.165 21.838 -12.587 1.00 25.00 C ATOM 1153 NE2 HIS A 80 1.300 22.539 -13.274 1.00 25.00 N ATOM 0 H HIS A 80 -3.438 20.556 -12.612 1.00 25.00 H new ATOM 0 HA HIS A 80 -1.221 19.231 -14.269 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.524 20.122 -11.376 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.416 18.855 -11.865 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.850 22.434 -13.548 1.00 25.00 H new ATOM 0 HE1 HIS A 80 3.197 22.101 -12.408 1.00 25.00 H new ATOM 0 HE2 HIS A 80 1.526 23.375 -13.813 1.00 25.00 H new ATOM 1161 N THR A 81 -2.417 17.062 -13.720 1.00 25.00 N ATOM 1162 CA THR A 81 -3.175 15.858 -13.498 1.00 25.00 C ATOM 1163 C THR A 81 -2.412 15.097 -12.493 1.00 25.00 C ATOM 1164 O THR A 81 -1.300 14.664 -12.780 1.00 25.00 O ATOM 1165 CB THR A 81 -3.383 14.954 -14.800 1.00 25.00 C ATOM 1166 OG1 THR A 81 -3.951 15.756 -15.819 1.00 25.00 O ATOM 1167 CG2 THR A 81 -4.361 13.819 -14.501 1.00 25.00 C ATOM 0 H THR A 81 -1.630 16.946 -14.358 1.00 25.00 H new ATOM 0 HA THR A 81 -4.182 16.129 -13.182 1.00 25.00 H new ATOM 0 HB THR A 81 -2.421 14.543 -15.107 1.00 25.00 H new ATOM 0 HG1 THR A 81 -4.797 16.136 -15.503 1.00 25.00 H new ATOM 0 HG21 THR A 81 -4.495 13.210 -15.395 1.00 25.00 H new ATOM 0 HG22 THR A 81 -3.965 13.200 -13.696 1.00 25.00 H new ATOM 0 HG23 THR A 81 -5.321 14.236 -14.199 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.048 14.676 -11.389 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.372 13.840 -10.408 1.00 25.00 C ATOM 1177 C PHE A 82 -3.131 12.529 -10.451 1.00 25.00 C ATOM 1178 O PHE A 82 -4.349 12.522 -10.484 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.403 14.402 -8.991 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.358 15.365 -8.736 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.364 15.046 -7.806 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -1.293 16.566 -9.435 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.725 15.964 -7.556 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -0.270 17.557 -9.137 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.780 17.223 -8.201 1.00 25.00 C ATOM 0 H PHE A 82 -4.017 14.902 -11.162 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.313 13.756 -10.652 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.371 14.871 -8.815 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.312 13.581 -8.280 1.00 25.00 H new ATOM 0 HD1 PHE A 82 -0.410 14.109 -7.271 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -2.015 16.766 -10.213 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.508 15.685 -6.867 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -0.295 18.528 -9.608 1.00 25.00 H new ATOM 0 HZ PHE A 82 1.584 17.915 -7.999 1.00 25.00 H new ATOM 1195 N THR A 83 -2.378 11.443 -10.612 1.00 25.00 N ATOM 1196 CA THR A 83 -2.966 10.102 -10.671 1.00 25.00 C ATOM 1197 C THR A 83 -2.082 9.223 -9.745 1.00 25.00 C ATOM 1198 O THR A 83 -0.975 8.799 -10.056 1.00 25.00 O ATOM 1199 CB THR A 83 -2.914 9.468 -12.147 1.00 25.00 C ATOM 1200 OG1 THR A 83 -3.633 10.309 -13.042 1.00 25.00 O ATOM 1201 CG2 THR A 83 -3.523 8.115 -12.136 1.00 25.00 C ATOM 0 H THR A 83 -1.362 11.462 -10.704 1.00 25.00 H new ATOM 0 HA THR A 83 -4.014 10.149 -10.376 1.00 25.00 H new ATOM 0 HB THR A 83 -1.877 9.388 -12.472 1.00 25.00 H new ATOM 0 HG1 THR A 83 -3.603 9.928 -13.944 1.00 25.00 H new ATOM 0 HG21 THR A 83 -3.485 7.691 -13.139 1.00 25.00 H new ATOM 0 HG22 THR A 83 -2.971 7.473 -11.449 1.00 25.00 H new ATOM 0 HG23 THR A 83 -4.561 8.186 -11.811 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.678 8.844 -8.588 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.206 7.661 -7.874 1.00 25.00 C ATOM 1211 C TRP A 84 -2.844 6.471 -8.491 1.00 25.00 C ATOM 1212 O TRP A 84 -4.006 6.570 -8.903 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.586 7.798 -6.427 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.735 8.833 -5.620 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -1.733 10.193 -5.704 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -0.840 8.533 -4.515 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.806 10.746 -4.884 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -0.307 9.785 -4.065 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -0.444 7.372 -3.817 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 0.596 9.893 -2.988 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 0.517 7.459 -2.821 1.00 25.00 C ATOM 1222 CH2 TRP A 84 0.969 8.718 -2.378 1.00 25.00 C ATOM 0 H TRP A 84 -3.461 9.331 -8.151 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.123 7.554 -7.937 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.635 8.087 -6.367 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -2.496 6.823 -5.948 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -2.390 10.761 -6.346 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.528 11.727 -4.883 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -0.889 6.418 -4.058 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 0.975 10.849 -2.659 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 0.921 6.558 -2.383 1.00 25.00 H new ATOM 0 HH2 TRP A 84 1.633 8.762 -1.528 1.00 25.00 H new ATOM 1233 N THR A 85 -2.229 5.299 -8.503 1.00 25.00 N ATOM 1234 CA THR A 85 -2.927 4.124 -8.983 1.00 25.00 C ATOM 1235 C THR A 85 -2.526 2.882 -8.116 1.00 25.00 C ATOM 1236 O THR A 85 -1.341 2.613 -7.881 1.00 25.00 O ATOM 1237 CB THR A 85 -2.795 3.922 -10.485 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.650 2.936 -10.993 1.00 25.00 O ATOM 1239 CG2 THR A 85 -1.398 3.518 -10.888 1.00 25.00 C ATOM 0 H THR A 85 -1.270 5.140 -8.193 1.00 25.00 H new ATOM 0 HA THR A 85 -3.999 4.273 -8.850 1.00 25.00 H new ATOM 0 HB THR A 85 -3.060 4.895 -10.900 1.00 25.00 H new ATOM 0 HG1 THR A 85 -3.518 2.856 -11.961 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.355 3.386 -11.969 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.694 4.295 -10.589 1.00 25.00 H new ATOM 0 HG23 THR A 85 -1.134 2.581 -10.397 1.00 25.00 H new ATOM 1247 N TYR A 86 -3.488 2.203 -7.495 1.00 25.00 N ATOM 1248 CA TYR A 86 -3.206 1.106 -6.633 1.00 25.00 C ATOM 1249 C TYR A 86 -3.632 -0.282 -7.211 1.00 25.00 C ATOM 1250 O TYR A 86 -4.649 -0.440 -7.914 1.00 25.00 O ATOM 1251 CB TYR A 86 -4.015 1.283 -5.358 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.401 2.336 -4.372 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -2.485 1.967 -3.374 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -3.617 3.769 -4.569 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -1.821 2.931 -2.526 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -3.026 4.688 -3.681 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.134 4.270 -2.689 1.00 25.00 C ATOM 1258 OH TYR A 86 -1.779 5.292 -1.810 1.00 25.00 O ATOM 0 H TYR A 86 -4.481 2.415 -7.589 1.00 25.00 H new ATOM 0 HA TYR A 86 -2.126 1.107 -6.486 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -5.028 1.588 -5.619 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -4.093 0.322 -4.849 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -2.267 0.918 -3.234 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -4.225 4.120 -5.390 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -1.101 2.616 -1.786 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -3.267 5.737 -3.768 1.00 25.00 H new ATOM 0 HH TYR A 86 -1.275 5.979 -2.294 1.00 25.00 H new ATOM 1268 N THR A 87 -2.798 -1.224 -6.903 1.00 25.00 N ATOM 1269 CA THR A 87 -2.989 -2.628 -7.279 1.00 25.00 C ATOM 1270 C THR A 87 -3.733 -3.372 -6.187 1.00 25.00 C ATOM 1271 O THR A 87 -4.409 -4.388 -6.504 1.00 25.00 O ATOM 1272 CB THR A 87 -1.682 -3.350 -7.554 1.00 25.00 C ATOM 1273 OG1 THR A 87 -1.915 -4.753 -7.599 1.00 25.00 O ATOM 1274 CG2 THR A 87 -0.519 -3.160 -6.638 1.00 25.00 C ATOM 0 H THR A 87 -1.942 -1.057 -6.373 1.00 25.00 H new ATOM 0 HA THR A 87 -3.569 -2.618 -8.202 1.00 25.00 H new ATOM 0 HB THR A 87 -1.381 -2.880 -8.490 1.00 25.00 H new ATOM 0 HG1 THR A 87 -1.072 -5.219 -7.778 1.00 25.00 H new ATOM 0 HG21 THR A 87 0.324 -3.753 -6.993 1.00 25.00 H new ATOM 0 HG22 THR A 87 -0.239 -2.107 -6.619 1.00 25.00 H new ATOM 0 HG23 THR A 87 -0.791 -3.482 -5.633 1.00 25.00 H new ATOM 1282 N ALA A 88 -3.855 -2.761 -5.012 1.00 25.00 N ATOM 1283 CA ALA A 88 -4.735 -3.250 -3.961 1.00 25.00 C ATOM 1284 C ALA A 88 -5.415 -2.150 -3.174 1.00 25.00 C ATOM 1285 O ALA A 88 -4.738 -1.125 -2.840 1.00 25.00 O ATOM 1286 CB ALA A 88 -3.936 -4.164 -3.038 1.00 25.00 C ATOM 0 H ALA A 88 -3.345 -1.913 -4.764 1.00 25.00 H new ATOM 0 HA ALA A 88 -5.544 -3.801 -4.441 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -4.584 -4.537 -2.245 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -3.541 -5.004 -3.610 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -3.110 -3.605 -2.598 1.00 25.00 H new ATOM 1292 N PRO A 89 -6.707 -2.386 -2.764 1.00 25.00 N ATOM 1293 CA PRO A 89 -7.484 -1.467 -1.925 1.00 25.00 C ATOM 1294 C PRO A 89 -7.140 -1.400 -0.432 1.00 25.00 C ATOM 1295 O PRO A 89 -6.881 -2.427 0.157 1.00 25.00 O ATOM 1296 CB PRO A 89 -8.935 -2.063 -2.009 1.00 25.00 C ATOM 1297 CG PRO A 89 -8.737 -3.562 -2.236 1.00 25.00 C ATOM 1298 CD PRO A 89 -7.471 -3.634 -3.022 1.00 25.00 C ATOM 0 HA PRO A 89 -7.306 -0.456 -2.291 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -9.493 -1.873 -1.092 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -9.500 -1.612 -2.825 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -8.655 -4.103 -1.293 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -9.573 -3.999 -2.782 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -6.888 -4.507 -2.729 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -7.687 -3.737 -4.085 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.173 -0.201 0.124 1.00 25.00 N ATOM 1307 CA HIS A 90 -7.021 -0.036 1.555 1.00 25.00 C ATOM 1308 C HIS A 90 -8.111 1.047 1.758 1.00 25.00 C ATOM 1309 O HIS A 90 -8.321 1.792 0.800 1.00 25.00 O ATOM 1310 CB HIS A 90 -5.636 0.568 1.808 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.550 -0.428 1.567 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.267 -1.418 2.499 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.729 -0.704 0.502 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -3.415 -2.283 1.988 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.967 -1.855 0.816 1.00 0.00 N ATOM 0 H HIS A 90 -7.303 0.668 -0.394 1.00 25.00 H new ATOM 0 HA HIS A 90 -7.108 -0.923 2.182 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.490 1.431 1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.578 0.929 2.835 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.660 -1.468 3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.674 -0.140 -0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.123 -3.210 2.458 1.00 0.00 H new ATOM 1323 N ASN A 91 -8.771 1.172 2.897 1.00 25.00 N ATOM 1324 CA ASN A 91 -9.848 2.149 3.047 1.00 25.00 C ATOM 1325 C ASN A 91 -9.361 3.564 3.272 1.00 25.00 C ATOM 1326 O ASN A 91 -8.888 3.877 4.323 1.00 25.00 O ATOM 1327 CB ASN A 91 -10.930 1.826 4.030 1.00 25.00 C ATOM 1328 CG ASN A 91 -11.844 0.699 3.552 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -12.711 0.923 2.714 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -11.680 -0.489 4.128 1.00 25.00 N ATOM 0 H ASN A 91 -8.585 0.614 3.731 1.00 25.00 H new ATOM 0 HA ASN A 91 -10.317 2.078 2.066 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -10.479 1.543 4.981 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -11.527 2.719 4.213 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -12.292 -1.266 3.878 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -10.943 -0.623 4.820 1.00 25.00 H new ATOM 1337 N THR A 92 -9.518 4.463 2.310 1.00 25.00 N ATOM 1338 CA THR A 92 -9.119 5.847 2.517 1.00 25.00 C ATOM 1339 C THR A 92 -10.184 6.573 3.322 1.00 25.00 C ATOM 1340 O THR A 92 -11.383 6.432 3.141 1.00 25.00 O ATOM 1341 CB THR A 92 -9.100 6.505 1.119 1.00 25.00 C ATOM 1342 OG1 THR A 92 -8.421 5.573 0.279 1.00 25.00 O ATOM 1343 CG2 THR A 92 -8.453 7.832 1.115 1.00 25.00 C ATOM 0 H THR A 92 -9.913 4.263 1.391 1.00 25.00 H new ATOM 0 HA THR A 92 -8.160 5.894 3.032 1.00 25.00 H new ATOM 0 HB THR A 92 -10.112 6.707 0.768 1.00 25.00 H new ATOM 0 HG1 THR A 92 -8.374 5.929 -0.633 1.00 25.00 H new ATOM 0 HG21 THR A 92 -8.471 8.242 0.105 1.00 25.00 H new ATOM 0 HG22 THR A 92 -8.990 8.501 1.788 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.420 7.734 1.449 1.00 25.00 H new ATOM 1351 N SER A 93 -9.826 7.362 4.311 1.00 25.00 N ATOM 1352 CA SER A 93 -10.802 8.198 4.960 1.00 25.00 C ATOM 1353 C SER A 93 -10.997 9.459 4.044 1.00 25.00 C ATOM 1354 O SER A 93 -12.096 9.810 3.601 1.00 25.00 O ATOM 1355 CB SER A 93 -10.301 8.566 6.337 1.00 25.00 C ATOM 1356 OG SER A 93 -8.894 8.770 6.335 1.00 25.00 O ATOM 0 H SER A 93 -8.877 7.440 4.677 1.00 25.00 H new ATOM 0 HA SER A 93 -11.760 7.694 5.093 1.00 25.00 H new ATOM 0 HB2 SER A 93 -10.802 9.472 6.679 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.555 7.775 7.043 1.00 25.00 H new ATOM 0 HG SER A 93 -8.574 8.850 7.258 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.888 10.061 3.674 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.771 11.258 2.860 1.00 25.00 C ATOM 1364 C GLN A 94 -8.385 11.477 2.308 1.00 25.00 C ATOM 1365 O GLN A 94 -7.450 10.784 2.669 1.00 25.00 O ATOM 1366 CB GLN A 94 -10.071 12.441 3.739 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.162 12.613 4.988 1.00 25.00 C ATOM 1368 CD GLN A 94 -9.608 13.809 5.869 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -10.064 14.802 5.316 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -9.377 13.827 7.134 1.00 25.00 N ATOM 0 H GLN A 94 -8.975 9.702 3.953 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.459 11.142 2.022 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -9.998 13.345 3.134 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -11.105 12.365 4.075 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.183 11.698 5.581 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -8.131 12.762 4.668 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -8.997 13.000 7.595 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -9.574 14.668 7.676 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.208 12.474 1.453 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.915 13.005 1.100 1.00 25.00 C ATOM 1381 C TRP A 95 -6.933 14.507 0.898 1.00 25.00 C ATOM 1382 O TRP A 95 -7.979 15.079 0.673 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.363 12.293 -0.145 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.265 12.302 -1.303 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -7.223 13.177 -2.326 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -8.231 11.331 -1.742 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -7.823 12.739 -3.463 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.426 11.556 -3.131 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -8.947 10.314 -1.097 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -9.223 10.690 -3.904 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -9.809 9.517 -1.850 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -9.854 9.656 -3.254 1.00 25.00 C ATOM 0 H TRP A 95 -8.981 12.941 0.979 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.252 12.813 1.943 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.422 12.764 -0.430 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.136 11.259 0.114 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -6.752 14.146 -2.249 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -7.824 13.196 -4.375 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -8.833 10.150 -0.036 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.335 10.833 -4.969 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -10.442 8.793 -1.359 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -10.401 8.928 -3.835 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.813 15.152 1.002 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.771 16.602 1.020 1.00 25.00 C ATOM 1405 C HIS A 96 -4.665 16.986 0.067 1.00 25.00 C ATOM 1406 O HIS A 96 -3.703 16.256 -0.008 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.347 17.116 2.400 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.927 16.440 3.604 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -7.004 16.919 4.379 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.496 15.290 4.206 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.194 16.092 5.401 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.319 15.087 5.290 1.00 25.00 N ATOM 0 H HIS A 96 -4.901 14.702 1.077 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.749 17.011 0.764 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.261 17.044 2.466 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.600 18.175 2.456 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.673 14.665 3.893 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.927 16.211 6.185 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.269 14.285 5.918 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.661 18.181 -0.530 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.497 18.649 -1.309 1.00 25.00 C ATOM 1422 C TYR A 97 -3.311 20.193 -1.309 1.00 25.00 C ATOM 1423 O TYR A 97 -4.305 20.951 -1.018 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.451 18.058 -2.707 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.726 18.159 -3.412 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.177 19.314 -4.039 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -5.496 16.953 -3.525 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.358 19.336 -4.847 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -6.742 17.044 -4.271 1.00 25.00 C ATOM 1430 CZ TYR A 97 -7.157 18.184 -4.892 1.00 25.00 C ATOM 1431 OH TYR A 97 -8.325 18.227 -5.696 1.00 25.00 O ATOM 0 H TYR A 97 -5.438 18.840 -0.494 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.630 18.260 -0.775 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.681 18.568 -3.286 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -3.160 17.010 -2.643 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.616 20.228 -3.912 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -5.167 16.026 -3.079 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -6.628 20.218 -5.409 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -7.368 16.166 -4.336 1.00 25.00 H new ATOM 0 HH TYR A 97 -8.791 17.366 -5.643 1.00 25.00 H new ATOM 1441 N TYR A 98 -2.071 20.655 -1.417 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.601 22.021 -0.982 1.00 25.00 C ATOM 1443 C TYR A 98 -0.659 22.568 -1.975 1.00 25.00 C ATOM 1444 O TYR A 98 -0.040 21.814 -2.737 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.876 21.956 0.424 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.486 20.988 1.436 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.252 19.585 1.349 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.265 21.445 2.488 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -1.811 18.677 2.241 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -2.741 20.518 3.492 1.00 25.00 C ATOM 1451 CZ TYR A 98 -2.536 19.152 3.341 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.011 18.246 4.245 1.00 25.00 O ATOM 0 H TYR A 98 -1.320 20.094 -1.819 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.478 22.663 -0.899 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.165 21.677 0.263 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.875 22.955 0.859 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -0.616 19.213 0.560 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.517 22.493 2.558 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -1.687 17.615 2.087 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -3.259 20.890 4.364 1.00 25.00 H new ATOM 0 HH TYR A 98 -3.494 18.716 4.957 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.498 23.871 -1.991 1.00 25.00 N ATOM 1463 CA ILE A 99 0.600 24.525 -2.658 1.00 25.00 C ATOM 1464 C ILE A 99 1.463 25.193 -1.570 1.00 25.00 C ATOM 1465 O ILE A 99 0.940 25.450 -0.470 1.00 25.00 O ATOM 1466 CB ILE A 99 0.076 25.527 -3.693 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.880 26.572 -3.079 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -0.544 24.676 -4.885 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -1.128 27.769 -4.001 1.00 25.00 C ATOM 0 H ILE A 99 -1.140 24.517 -1.531 1.00 25.00 H new ATOM 0 HA ILE A 99 1.211 23.813 -3.213 1.00 25.00 H new ATOM 0 HB ILE A 99 0.883 26.146 -4.084 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.832 26.094 -2.848 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.465 26.927 -2.136 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.932 25.349 -5.650 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.228 24.041 -5.319 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -1.354 24.054 -4.505 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.808 28.469 -3.514 1.00 25.00 H new ATOM 0 HD12 ILE A 99 -0.182 28.268 -4.211 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.571 27.423 -4.935 1.00 25.00 H new ATOM 1481 N THR A 100 2.715 25.491 -1.899 1.00 25.00 N ATOM 1482 CA THR A 100 3.437 26.562 -1.174 1.00 25.00 C ATOM 1483 C THR A 100 2.890 27.934 -1.551 1.00 25.00 C ATOM 1484 O THR A 100 2.485 28.159 -2.691 1.00 25.00 O ATOM 1485 CB THR A 100 4.973 26.508 -1.407 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.160 26.375 -2.817 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.617 25.241 -0.841 1.00 25.00 C ATOM 0 H THR A 100 3.248 25.031 -2.637 1.00 25.00 H new ATOM 0 HA THR A 100 3.267 26.391 -0.111 1.00 25.00 H new ATOM 0 HB THR A 100 5.408 27.392 -0.941 1.00 25.00 H new ATOM 0 HG1 THR A 100 5.805 27.045 -3.126 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.690 25.261 -1.034 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.443 25.193 0.234 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.178 24.365 -1.319 1.00 25.00 H new ATOM 1495 N LYS A 101 3.053 28.932 -0.676 1.00 25.00 N ATOM 1496 CA LYS A 101 2.695 30.315 -0.978 1.00 25.00 C ATOM 1497 C LYS A 101 3.851 31.306 -0.803 1.00 25.00 C ATOM 1498 O LYS A 101 4.321 31.517 0.310 1.00 25.00 O ATOM 1499 CB LYS A 101 1.580 30.732 -0.096 1.00 25.00 C ATOM 1500 CG LYS A 101 0.898 32.046 -0.518 1.00 25.00 C ATOM 1501 CD LYS A 101 -0.145 32.433 0.528 1.00 25.00 C ATOM 1502 CE LYS A 101 -0.908 33.748 0.137 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.834 33.536 -1.060 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.437 28.800 0.260 1.00 25.00 H new ATOM 0 HA LYS A 101 2.412 30.337 -2.030 1.00 25.00 H new ATOM 0 HB2 LYS A 101 0.833 29.939 -0.074 1.00 25.00 H new ATOM 0 HB3 LYS A 101 1.958 30.842 0.921 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.640 32.838 -0.618 1.00 25.00 H new ATOM 0 HG3 LYS A 101 0.425 31.927 -1.493 1.00 25.00 H new ATOM 0 HD2 LYS A 101 -0.861 31.619 0.645 1.00 25.00 H new ATOM 0 HD3 LYS A 101 0.343 32.570 1.493 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -1.491 34.096 0.990 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -0.186 34.531 -0.097 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -2.319 34.428 -1.286 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -1.275 33.228 -1.881 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -2.539 32.808 -0.829 1.00 25.00 H new ATOM 1517 N LYS A 102 4.273 31.859 -1.931 1.00 25.00 N ATOM 1518 CA LYS A 102 5.319 32.896 -1.984 1.00 25.00 C ATOM 1519 C LYS A 102 4.887 34.115 -1.218 1.00 25.00 C ATOM 1520 O LYS A 102 3.671 34.246 -1.115 1.00 25.00 O ATOM 1521 CB LYS A 102 5.564 33.275 -3.474 1.00 25.00 C ATOM 1522 CG LYS A 102 6.142 32.112 -4.385 1.00 25.00 C ATOM 1523 CD LYS A 102 7.533 31.631 -4.006 1.00 25.00 C ATOM 1524 CE LYS A 102 8.607 32.724 -4.100 1.00 25.00 C ATOM 1525 NZ LYS A 102 9.987 32.170 -3.705 1.00 25.00 N1+ ATOM 0 H LYS A 102 3.903 31.606 -2.847 1.00 25.00 H new ATOM 0 HA LYS A 102 6.235 32.513 -1.535 1.00 25.00 H new ATOM 0 HB2 LYS A 102 4.622 33.617 -3.904 1.00 25.00 H new ATOM 0 HB3 LYS A 102 6.254 34.118 -3.508 1.00 25.00 H new ATOM 0 HG2 LYS A 102 5.457 31.265 -4.345 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.162 32.457 -5.419 1.00 25.00 H new ATOM 0 HD2 LYS A 102 7.509 31.243 -2.988 1.00 25.00 H new ATOM 0 HD3 LYS A 102 7.812 30.802 -4.657 1.00 25.00 H new ATOM 0 HE2 LYS A 102 8.645 33.116 -5.116 1.00 25.00 H new ATOM 0 HE3 LYS A 102 8.344 33.556 -3.447 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 10.698 32.926 -3.776 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 9.953 31.817 -2.727 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 10.245 31.392 -4.345 1.00 25.00 H new ATOM 1539 N GLY A 103 5.747 35.045 -0.791 1.00 25.00 N ATOM 1540 CA GLY A 103 5.342 36.316 -0.203 1.00 25.00 C ATOM 1541 C GLY A 103 5.464 36.404 1.321 1.00 25.00 C ATOM 1542 O GLY A 103 5.103 37.454 1.889 1.00 25.00 O ATOM 0 H GLY A 103 6.759 34.930 -0.847 1.00 25.00 H new ATOM 0 HA2 GLY A 103 5.944 37.110 -0.645 1.00 25.00 H new ATOM 0 HA3 GLY A 103 4.306 36.511 -0.479 1.00 25.00 H new ATOM 1546 N TRP A 104 5.918 35.330 1.963 1.00 25.00 N ATOM 1547 CA TRP A 104 6.116 35.332 3.423 1.00 25.00 C ATOM 1548 C TRP A 104 7.130 36.418 3.925 1.00 25.00 C ATOM 1549 O TRP A 104 7.968 36.971 3.146 1.00 25.00 O ATOM 1550 CB TRP A 104 6.570 33.976 3.980 1.00 25.00 C ATOM 1551 CG TRP A 104 7.954 33.514 3.550 1.00 25.00 C ATOM 1552 CD1 TRP A 104 8.986 34.159 2.926 1.00 25.00 C ATOM 1553 CD2 TRP A 104 8.449 32.189 3.852 1.00 25.00 C ATOM 1554 NE1 TRP A 104 10.093 33.385 2.860 1.00 25.00 N ATOM 1555 CE2 TRP A 104 9.776 32.137 3.324 1.00 25.00 C ATOM 1556 CE3 TRP A 104 7.940 31.060 4.506 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 10.552 30.988 3.396 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 8.696 29.905 4.616 1.00 25.00 C ATOM 1559 CH2 TRP A 104 10.018 29.844 4.098 1.00 25.00 C ATOM 0 H TRP A 104 6.156 34.450 1.506 1.00 25.00 H new ATOM 0 HA TRP A 104 5.122 35.569 3.802 1.00 25.00 H new ATOM 0 HB2 TRP A 104 6.546 34.025 5.069 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.845 33.220 3.679 1.00 25.00 H new ATOM 0 HD1 TRP A 104 8.924 35.163 2.534 1.00 25.00 H new ATOM 0 HE1 TRP A 104 11.009 33.681 2.522 1.00 25.00 H new ATOM 0 HE3 TRP A 104 6.947 31.090 4.929 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 11.530 30.950 2.939 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 8.275 29.038 5.103 1.00 25.00 H new ATOM 0 HH2 TRP A 104 10.616 28.954 4.228 1.00 25.00 H new ATOM 1570 N ASP A 105 7.036 36.778 5.245 1.00 25.00 N ATOM 1571 CA ASP A 105 7.880 37.724 5.935 1.00 25.00 C ATOM 1572 C ASP A 105 7.695 37.405 7.378 1.00 25.00 C ATOM 1573 O ASP A 105 6.614 37.008 7.688 1.00 25.00 O ATOM 1574 CB ASP A 105 7.349 39.140 5.642 1.00 25.00 C ATOM 1575 CG ASP A 105 8.182 40.255 6.252 1.00 25.00 C ATOM 1576 OD1 ASP A 105 8.398 40.463 7.485 1.00 25.00 O ATOM 1577 OD2 ASP A 105 8.862 40.806 5.333 1.00 25.00 O1- ATOM 0 H ASP A 105 6.325 36.379 5.857 1.00 25.00 H new ATOM 0 HA ASP A 105 8.927 37.675 5.636 1.00 25.00 H new ATOM 0 HB2 ASP A 105 7.305 39.283 4.562 1.00 25.00 H new ATOM 0 HB3 ASP A 105 6.328 39.218 6.016 1.00 25.00 H new ATOM 1582 N PRO A 106 8.712 37.498 8.258 1.00 25.00 N ATOM 1583 CA PRO A 106 8.367 37.072 9.612 1.00 25.00 C ATOM 1584 C PRO A 106 7.404 37.934 10.462 1.00 25.00 C ATOM 1585 O PRO A 106 6.741 37.464 11.314 1.00 25.00 O ATOM 1586 CB PRO A 106 9.692 37.058 10.297 1.00 25.00 C ATOM 1587 CG PRO A 106 10.496 38.088 9.635 1.00 25.00 C ATOM 1588 CD PRO A 106 10.130 37.891 8.186 1.00 25.00 C ATOM 0 HA PRO A 106 7.810 36.140 9.521 1.00 25.00 H new ATOM 0 HB2 PRO A 106 9.584 37.270 11.361 1.00 25.00 H new ATOM 0 HB3 PRO A 106 10.165 36.079 10.213 1.00 25.00 H new ATOM 0 HG2 PRO A 106 10.246 39.089 9.986 1.00 25.00 H new ATOM 0 HG3 PRO A 106 11.563 37.947 9.809 1.00 25.00 H new ATOM 0 HD2 PRO A 106 10.268 38.804 7.606 1.00 25.00 H new ATOM 0 HD3 PRO A 106 10.740 37.120 7.716 1.00 25.00 H new ATOM 1596 N ASP A 107 7.178 39.196 10.057 1.00 25.00 N ATOM 1597 CA ASP A 107 6.173 40.058 10.631 1.00 25.00 C ATOM 1598 C ASP A 107 4.780 39.511 10.280 1.00 25.00 C ATOM 1599 O ASP A 107 3.789 39.633 11.006 1.00 25.00 O ATOM 1600 CB ASP A 107 6.297 41.470 10.012 1.00 25.00 C ATOM 1601 CG ASP A 107 5.520 42.483 10.808 1.00 25.00 C ATOM 1602 OD1 ASP A 107 4.691 43.132 10.170 1.00 75.00 O ATOM 1603 OD2 ASP A 107 5.677 42.640 12.041 1.00 75.00 O1- ATOM 0 H ASP A 107 7.708 39.638 9.306 1.00 25.00 H new ATOM 0 HA ASP A 107 6.309 40.100 11.712 1.00 25.00 H new ATOM 0 HB2 ASP A 107 7.346 41.762 9.973 1.00 25.00 H new ATOM 0 HB3 ASP A 107 5.932 41.453 8.985 1.00 25.00 H new ATOM 1608 N LYS A 108 4.734 38.692 9.216 1.00 25.00 N ATOM 1609 CA LYS A 108 3.519 38.108 8.651 1.00 25.00 C ATOM 1610 C LYS A 108 3.504 36.691 9.231 1.00 25.00 C ATOM 1611 O LYS A 108 4.498 36.243 9.825 1.00 25.00 O ATOM 1612 CB LYS A 108 3.592 37.940 7.129 1.00 25.00 C ATOM 1613 CG LYS A 108 3.391 39.209 6.368 1.00 25.00 C ATOM 1614 CD LYS A 108 3.446 38.880 4.809 1.00 25.00 C ATOM 1615 CE LYS A 108 3.302 40.097 3.949 1.00 25.00 C ATOM 1616 NZ LYS A 108 3.197 39.712 2.514 1.00 25.00 N1+ ATOM 0 H LYS A 108 5.575 38.412 8.712 1.00 25.00 H new ATOM 0 HA LYS A 108 2.658 38.737 8.876 1.00 25.00 H new ATOM 0 HB2 LYS A 108 4.563 37.521 6.866 1.00 25.00 H new ATOM 0 HB3 LYS A 108 2.838 37.218 6.817 1.00 25.00 H new ATOM 0 HG2 LYS A 108 2.432 39.658 6.627 1.00 25.00 H new ATOM 0 HG3 LYS A 108 4.162 39.933 6.629 1.00 25.00 H new ATOM 0 HD2 LYS A 108 4.392 38.390 4.580 1.00 25.00 H new ATOM 0 HD3 LYS A 108 2.653 38.173 4.564 1.00 25.00 H new ATOM 0 HE2 LYS A 108 2.416 40.657 4.247 1.00 25.00 H new ATOM 0 HE3 LYS A 108 4.159 40.755 4.093 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 3.419 40.534 1.917 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 3.869 38.944 2.310 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 2.230 39.388 2.311 1.00 25.00 H new ATOM 1630 N PRO A 109 2.328 36.019 9.165 1.00 25.00 N ATOM 1631 CA PRO A 109 2.067 34.540 9.135 1.00 25.00 C ATOM 1632 C PRO A 109 3.069 33.541 8.457 1.00 25.00 C ATOM 1633 O PRO A 109 2.688 32.562 7.908 1.00 25.00 O ATOM 1634 CB PRO A 109 0.739 34.439 8.421 1.00 25.00 C ATOM 1635 CG PRO A 109 -0.055 35.603 8.917 1.00 25.00 C ATOM 1636 CD PRO A 109 1.013 36.659 8.938 1.00 25.00 C ATOM 0 HA PRO A 109 2.145 34.211 10.171 1.00 25.00 H new ATOM 0 HB2 PRO A 109 0.868 34.481 7.339 1.00 25.00 H new ATOM 0 HB3 PRO A 109 0.240 33.496 8.646 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -0.880 35.858 8.252 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -0.484 35.425 9.903 1.00 25.00 H new ATOM 0 HD2 PRO A 109 1.019 37.205 7.995 1.00 25.00 H new ATOM 0 HD3 PRO A 109 0.808 37.385 9.725 1.00 25.00 H new ATOM 1644 N LEU A 110 4.311 33.885 8.479 1.00 25.00 N ATOM 1645 CA LEU A 110 5.370 33.073 7.788 1.00 25.00 C ATOM 1646 C LEU A 110 5.369 31.591 8.139 1.00 25.00 C ATOM 1647 O LEU A 110 5.561 30.807 7.191 1.00 25.00 O ATOM 1648 CB LEU A 110 6.686 33.847 8.058 1.00 25.00 C ATOM 1649 CG LEU A 110 8.004 33.135 7.858 1.00 25.00 C ATOM 1650 CD1 LEU A 110 8.924 34.015 7.035 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.579 32.671 9.143 1.00 50.00 C ATOM 0 H LEU A 110 4.662 34.715 8.956 1.00 25.00 H new ATOM 0 HA LEU A 110 5.192 32.991 6.716 1.00 25.00 H new ATOM 0 HB2 LEU A 110 6.687 34.729 7.418 1.00 25.00 H new ATOM 0 HB3 LEU A 110 6.655 34.201 9.088 1.00 25.00 H new ATOM 0 HG LEU A 110 7.851 32.217 7.291 1.00 25.00 H new ATOM 0 HD11 LEU A 110 9.877 33.507 6.887 1.00 50.00 H new ATOM 0 HD12 LEU A 110 8.465 34.216 6.067 1.00 50.00 H new ATOM 0 HD13 LEU A 110 9.092 34.956 7.559 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.526 32.164 8.956 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.748 33.527 9.796 1.00 50.00 H new ATOM 0 HD23 LEU A 110 7.886 31.980 9.623 1.00 50.00 H new ATOM 1663 N LYS A 111 5.158 31.204 9.392 1.00 25.00 N ATOM 1664 CA LYS A 111 5.004 29.801 9.802 1.00 25.00 C ATOM 1665 C LYS A 111 3.641 29.122 9.471 1.00 25.00 C ATOM 1666 O LYS A 111 3.458 27.937 9.603 1.00 25.00 O ATOM 1667 CB LYS A 111 5.213 29.736 11.340 1.00 25.00 C ATOM 1668 CG LYS A 111 6.489 30.329 11.856 1.00 25.00 C ATOM 1669 CD LYS A 111 6.515 30.414 13.382 1.00 25.00 C ATOM 1670 CE LYS A 111 5.494 31.322 14.040 1.00 25.00 C ATOM 1671 NZ LYS A 111 5.915 31.348 15.499 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.087 31.862 10.168 1.00 25.00 H new ATOM 0 HA LYS A 111 5.742 29.247 9.223 1.00 25.00 H new ATOM 0 HB2 LYS A 111 4.378 30.245 11.822 1.00 25.00 H new ATOM 0 HB3 LYS A 111 5.170 28.691 11.649 1.00 25.00 H new ATOM 0 HG2 LYS A 111 7.331 29.727 11.514 1.00 25.00 H new ATOM 0 HG3 LYS A 111 6.619 31.327 11.437 1.00 25.00 H new ATOM 0 HD2 LYS A 111 6.379 29.408 13.779 1.00 25.00 H new ATOM 0 HD3 LYS A 111 7.508 30.745 13.686 1.00 25.00 H new ATOM 0 HE2 LYS A 111 5.507 32.320 13.603 1.00 25.00 H new ATOM 0 HE3 LYS A 111 4.482 30.936 13.923 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 5.264 31.954 16.037 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 5.888 30.383 15.885 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 6.881 31.725 15.575 1.00 25.00 H new ATOM 1685 N ARG A 112 2.704 29.905 9.005 1.00 25.00 N ATOM 1686 CA ARG A 112 1.322 29.497 8.920 1.00 25.00 C ATOM 1687 C ARG A 112 0.796 29.529 7.500 1.00 25.00 C ATOM 1688 O ARG A 112 0.486 28.520 6.933 1.00 25.00 O ATOM 1689 CB ARG A 112 0.507 30.509 9.830 1.00 25.00 C ATOM 1690 CG ARG A 112 0.721 30.329 11.328 1.00 25.00 C ATOM 1691 CD ARG A 112 0.393 31.603 11.934 1.00 25.00 C ATOM 1692 NE ARG A 112 -1.052 31.950 11.981 1.00 25.00 N ATOM 1693 CZ ARG A 112 -1.587 33.194 12.022 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -2.810 33.361 11.731 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -0.965 34.218 12.509 1.00 25.00 N ATOM 0 H ARG A 112 2.878 30.853 8.670 1.00 25.00 H new ATOM 0 HA ARG A 112 1.216 28.465 9.254 1.00 25.00 H new ATOM 0 HB2 ARG A 112 0.784 31.527 9.556 1.00 25.00 H new ATOM 0 HB3 ARG A 112 -0.555 30.398 9.612 1.00 25.00 H new ATOM 0 HG2 ARG A 112 0.085 29.535 11.720 1.00 25.00 H new ATOM 0 HG3 ARG A 112 1.752 30.048 11.544 1.00 25.00 H new ATOM 0 HD2 ARG A 112 0.781 31.609 12.953 1.00 25.00 H new ATOM 0 HD3 ARG A 112 0.917 32.388 11.389 1.00 25.00 H new ATOM 0 HE ARG A 112 -1.709 31.170 11.983 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -3.385 32.561 11.468 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -3.218 34.295 11.760 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -0.024 34.111 12.887 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -1.416 35.133 12.515 1.00 25.00 H new ATOM 1709 N ALA A 113 0.779 30.691 6.923 1.00 25.00 N ATOM 1710 CA ALA A 113 0.637 30.875 5.478 1.00 25.00 C ATOM 1711 C ALA A 113 1.802 30.374 4.553 1.00 25.00 C ATOM 1712 O ALA A 113 1.906 30.829 3.423 1.00 25.00 O ATOM 1713 CB ALA A 113 0.460 32.386 5.213 1.00 25.00 C ATOM 0 H ALA A 113 0.864 31.567 7.438 1.00 25.00 H new ATOM 0 HA ALA A 113 -0.214 30.248 5.212 1.00 25.00 H new ATOM 0 HB1 ALA A 113 0.351 32.557 4.142 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -0.430 32.744 5.730 1.00 25.00 H new ATOM 0 HB3 ALA A 113 1.334 32.925 5.580 1.00 25.00 H new ATOM 1719 N ASP A 114 2.612 29.502 5.144 1.00 25.00 N ATOM 1720 CA ASP A 114 3.734 28.899 4.449 1.00 25.00 C ATOM 1721 C ASP A 114 3.235 28.038 3.349 1.00 25.00 C ATOM 1722 O ASP A 114 3.851 27.833 2.306 1.00 25.00 O ATOM 1723 CB ASP A 114 4.515 28.069 5.417 1.00 25.00 C ATOM 1724 CG ASP A 114 5.934 27.665 4.972 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.376 27.789 3.818 1.00 25.00 O ATOM 1726 OD2 ASP A 114 6.621 27.217 5.888 1.00 25.00 O1- ATOM 0 H ASP A 114 2.507 29.198 6.112 1.00 25.00 H new ATOM 0 HA ASP A 114 4.371 29.679 4.032 1.00 25.00 H new ATOM 0 HB2 ASP A 114 4.593 28.618 6.355 1.00 25.00 H new ATOM 0 HB3 ASP A 114 3.949 27.161 5.625 1.00 25.00 H new ATOM 1731 N PHE A 115 2.020 27.534 3.507 1.00 25.00 N ATOM 1732 CA PHE A 115 1.411 26.656 2.504 1.00 25.00 C ATOM 1733 C PHE A 115 -0.018 27.087 2.482 1.00 25.00 C ATOM 1734 O PHE A 115 -0.465 27.729 3.439 1.00 25.00 O ATOM 1735 CB PHE A 115 1.520 25.225 2.997 1.00 25.00 C ATOM 1736 CG PHE A 115 0.534 24.887 4.097 1.00 25.00 C ATOM 1737 CD1 PHE A 115 0.779 25.263 5.477 1.00 50.00 C ATOM 1738 CD2 PHE A 115 -0.651 24.243 3.749 1.00 50.00 C ATOM 1739 CE1 PHE A 115 -0.190 25.113 6.439 1.00 25.00 C ATOM 1740 CE2 PHE A 115 -1.671 24.101 4.685 1.00 25.00 C ATOM 1741 CZ PHE A 115 -1.457 24.532 6.046 1.00 25.00 C ATOM 0 H PHE A 115 1.431 27.715 4.320 1.00 25.00 H new ATOM 0 HA PHE A 115 1.876 26.711 1.520 1.00 25.00 H new ATOM 0 HB2 PHE A 115 1.362 24.547 2.158 1.00 25.00 H new ATOM 0 HB3 PHE A 115 2.532 25.051 3.362 1.00 25.00 H new ATOM 0 HD1 PHE A 115 1.741 25.668 5.753 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -0.779 23.853 2.750 1.00 50.00 H new ATOM 0 HE1 PHE A 115 -0.012 25.420 7.459 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -2.618 23.670 4.395 1.00 25.00 H new ATOM 0 HZ PHE A 115 -2.246 24.421 6.775 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.743 26.765 1.414 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.186 26.974 1.313 1.00 25.00 C ATOM 1753 C GLU A 116 -2.798 25.629 0.838 1.00 25.00 C ATOM 1754 O GLU A 116 -2.313 25.032 -0.107 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.582 28.040 0.296 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.405 29.476 0.753 1.00 25.00 C ATOM 1757 CD GLU A 116 -3.396 29.917 1.781 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -4.459 29.265 2.006 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -3.147 30.909 2.458 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.337 26.344 0.578 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.545 27.309 2.286 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.994 27.890 -0.609 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.627 27.889 0.026 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -1.400 29.596 1.158 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -2.480 30.133 -0.113 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.890 25.241 1.486 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.621 24.113 1.026 1.00 25.00 C ATOM 1768 C LEU A 117 -5.214 24.572 -0.327 1.00 25.00 C ATOM 1769 O LEU A 117 -5.670 25.704 -0.417 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.767 23.705 2.026 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.763 22.558 1.756 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.129 21.261 1.942 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.943 22.729 2.742 1.00 50.00 C ATOM 0 H LEU A 117 -4.268 25.696 2.317 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.988 23.230 0.937 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.280 23.472 2.973 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.367 24.601 2.188 1.00 25.00 H new ATOM 0 HG LEU A 117 -7.112 22.599 0.724 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.853 20.470 1.745 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.290 21.164 1.253 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.768 21.176 2.967 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.670 21.933 2.581 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.572 22.679 3.766 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.419 23.695 2.575 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.341 23.695 -1.307 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.941 24.109 -2.584 1.00 25.00 C ATOM 1787 C ILE A 118 -7.064 23.177 -3.023 1.00 25.00 C ATOM 1788 O ILE A 118 -7.932 23.429 -3.905 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.773 24.194 -3.573 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -5.258 24.977 -4.801 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -4.170 22.789 -3.938 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -4.250 25.627 -5.665 1.00 25.00 C ATOM 0 H ILE A 118 -5.050 22.719 -1.258 1.00 25.00 H new ATOM 0 HA ILE A 118 -6.440 25.075 -2.509 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.940 24.721 -3.109 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.837 24.294 -5.423 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.944 25.749 -4.452 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.347 22.918 -4.641 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.802 22.305 -3.033 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.942 22.169 -4.393 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.751 26.138 -6.487 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -3.682 26.350 -5.080 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.573 24.872 -6.066 1.00 25.00 H new ATOM 1804 N GLY A 119 -7.116 22.052 -2.337 1.00 25.00 N ATOM 1805 CA GLY A 119 -8.248 21.109 -2.405 1.00 25.00 C ATOM 1806 C GLY A 119 -8.069 19.934 -1.478 1.00 25.00 C ATOM 1807 O GLY A 119 -6.952 19.563 -1.007 1.00 25.00 O ATOM 0 H GLY A 119 -6.373 21.751 -1.706 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -9.170 21.632 -2.151 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.357 20.749 -3.428 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.166 19.233 -1.322 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.178 17.898 -0.672 1.00 25.00 C ATOM 1813 C ALA A 120 -10.263 17.037 -1.368 1.00 25.00 C ATOM 1814 O ALA A 120 -11.195 17.606 -1.907 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.493 18.061 0.878 1.00 25.00 C ATOM 0 H ALA A 120 -10.084 19.550 -1.633 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.207 17.411 -0.768 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.501 17.080 1.353 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.727 18.682 1.342 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.467 18.533 1.004 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.234 15.725 -1.246 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.383 14.906 -1.669 1.00 25.00 C ATOM 1823 C VAL A 121 -11.630 13.972 -0.487 1.00 25.00 C ATOM 1824 O VAL A 121 -10.791 13.154 -0.199 1.00 25.00 O ATOM 1825 CB VAL A 121 -11.001 13.989 -2.919 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -12.139 13.109 -3.357 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.572 14.831 -4.148 1.00 50.00 C ATOM 0 H VAL A 121 -9.448 15.198 -0.866 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.233 15.530 -1.945 1.00 25.00 H new ATOM 0 HB VAL A 121 -10.171 13.375 -2.571 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.826 12.507 -4.210 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.428 12.453 -2.536 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.989 13.729 -3.643 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.321 14.166 -4.975 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.392 15.486 -4.445 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.701 15.434 -3.890 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.762 14.106 0.269 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.018 13.073 1.281 1.00 25.00 C ATOM 1839 C PRO A 122 -13.511 11.805 0.640 1.00 25.00 C ATOM 1840 O PRO A 122 -13.969 11.879 -0.530 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.035 13.712 2.206 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.799 14.600 1.238 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.809 15.152 0.268 1.00 25.00 C ATOM 0 HA PRO A 122 -12.126 12.768 1.828 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.679 12.973 2.682 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.563 14.285 3.004 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.569 14.029 0.719 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.304 15.405 1.772 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.243 15.294 -0.722 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.420 16.119 0.587 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.472 10.660 1.284 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.879 9.418 0.662 1.00 25.00 C ATOM 1853 C HIS A 123 -15.002 8.891 1.482 1.00 25.00 C ATOM 1854 O HIS A 123 -15.037 7.728 1.910 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.618 8.482 0.635 1.00 25.00 C ATOM 1856 CG HIS A 123 -12.802 7.270 -0.211 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -13.590 6.178 0.168 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -12.181 6.861 -1.362 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -13.456 5.194 -0.768 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -12.650 5.585 -1.662 1.00 25.00 N ATOM 0 H HIS A 123 -13.159 10.562 2.250 1.00 25.00 H new ATOM 0 HA HIS A 123 -14.229 9.516 -0.365 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -11.762 9.047 0.266 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -12.381 8.173 1.653 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -14.169 6.126 1.006 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -11.459 7.426 -1.933 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -13.956 4.237 -0.749 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.948 9.821 1.714 1.00 25.00 N ATOM 1869 CA ASP A 124 -17.207 9.495 2.440 1.00 25.00 C ATOM 1870 C ASP A 124 -18.165 8.726 1.518 1.00 25.00 C ATOM 1871 O ASP A 124 -18.967 7.887 1.944 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.896 10.759 2.912 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.067 11.502 3.917 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -16.838 12.728 3.763 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -16.657 10.930 4.963 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.874 10.794 1.417 1.00 25.00 H new ATOM 0 HA ASP A 124 -16.948 8.881 3.303 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -18.096 11.405 2.057 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -18.860 10.505 3.352 1.00 25.00 H new ATOM 1880 N GLY A 125 -18.131 9.011 0.231 1.00 25.00 N ATOM 1881 CA GLY A 125 -19.014 8.423 -0.756 1.00 25.00 C ATOM 1882 C GLY A 125 -18.930 9.034 -2.157 1.00 25.00 C ATOM 1883 O GLY A 125 -18.065 9.840 -2.454 1.00 25.00 O ATOM 0 H GLY A 125 -17.469 9.677 -0.168 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -18.793 7.358 -0.828 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -20.040 8.512 -0.400 1.00 25.00 H new ATOM 1887 N SER A 126 -19.828 8.506 -2.964 1.00 25.00 N ATOM 1888 CA SER A 126 -20.107 9.028 -4.283 1.00 25.00 C ATOM 1889 C SER A 126 -19.029 8.799 -5.400 1.00 25.00 C ATOM 1890 O SER A 126 -17.839 8.593 -5.039 1.00 25.00 O ATOM 1891 CB SER A 126 -20.568 10.448 -4.157 1.00 25.00 C ATOM 1892 OG SER A 126 -21.852 10.483 -3.533 1.00 25.00 O ATOM 0 H SER A 126 -20.391 7.692 -2.717 1.00 25.00 H new ATOM 0 HA SER A 126 -20.910 8.409 -4.683 1.00 25.00 H new ATOM 0 HB2 SER A 126 -19.852 11.022 -3.570 1.00 25.00 H new ATOM 0 HB3 SER A 126 -20.619 10.913 -5.142 1.00 25.00 H new ATOM 0 HG SER A 126 -22.150 11.413 -3.450 1.00 25.00 H new ATOM 1898 N PRO A 127 -19.369 8.798 -6.695 1.00 25.00 N ATOM 1899 CA PRO A 127 -18.339 8.261 -7.633 1.00 25.00 C ATOM 1900 C PRO A 127 -17.133 9.243 -7.864 1.00 25.00 C ATOM 1901 O PRO A 127 -16.133 8.874 -8.398 1.00 25.00 O ATOM 1902 CB PRO A 127 -19.118 8.111 -8.903 1.00 25.00 C ATOM 1903 CG PRO A 127 -20.224 9.110 -8.861 1.00 25.00 C ATOM 1904 CD PRO A 127 -20.645 8.928 -7.385 1.00 25.00 C ATOM 0 HA PRO A 127 -17.881 7.347 -7.254 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -18.479 8.281 -9.769 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -19.516 7.100 -8.994 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -19.887 10.123 -9.083 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -21.027 8.881 -9.561 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -21.216 9.781 -7.020 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -21.269 8.045 -7.249 1.00 25.00 H new ATOM 1912 N ALA A 128 -17.200 10.432 -7.271 1.00 25.00 N ATOM 1913 CA ALA A 128 -16.043 11.337 -7.242 1.00 25.00 C ATOM 1914 C ALA A 128 -14.859 10.911 -6.387 1.00 25.00 C ATOM 1915 O ALA A 128 -13.685 11.099 -6.781 1.00 25.00 O ATOM 1916 CB ALA A 128 -16.528 12.678 -6.681 1.00 25.00 C ATOM 0 H ALA A 128 -18.033 10.794 -6.807 1.00 25.00 H new ATOM 0 HA ALA A 128 -15.675 11.361 -8.268 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -15.695 13.380 -6.644 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -17.312 13.079 -7.324 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -16.923 12.530 -5.676 1.00 25.00 H new ATOM 1922 N SER A 129 -15.212 10.272 -5.278 1.00 25.00 N ATOM 1923 CA SER A 129 -14.265 9.731 -4.318 1.00 25.00 C ATOM 1924 C SER A 129 -13.726 8.383 -4.786 1.00 25.00 C ATOM 1925 O SER A 129 -12.659 7.846 -4.346 1.00 25.00 O ATOM 1926 CB SER A 129 -14.817 9.539 -2.914 1.00 25.00 C ATOM 1927 OG SER A 129 -15.793 8.489 -2.872 1.00 25.00 O ATOM 0 H SER A 129 -16.186 10.114 -5.018 1.00 25.00 H new ATOM 0 HA SER A 129 -13.481 10.487 -4.265 1.00 25.00 H new ATOM 0 HB2 SER A 129 -14.001 9.306 -2.230 1.00 25.00 H new ATOM 0 HB3 SER A 129 -15.267 10.470 -2.568 1.00 25.00 H new ATOM 0 HG SER A 129 -16.683 8.863 -3.040 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.519 7.781 -5.661 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.150 6.487 -6.312 1.00 25.00 C ATOM 1935 C ARG A 130 -13.059 6.666 -7.348 1.00 25.00 C ATOM 1936 O ARG A 130 -12.173 5.825 -7.534 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.368 5.809 -6.934 1.00 25.00 C ATOM 1938 CG ARG A 130 -15.184 4.414 -7.450 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.492 3.886 -8.052 1.00 25.00 C ATOM 1940 NE ARG A 130 -17.492 3.667 -6.968 1.00 25.00 N ATOM 1941 CZ ARG A 130 -17.706 2.561 -6.286 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -18.627 2.543 -5.286 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -17.078 1.397 -6.560 1.00 25.00 N ATOM 0 H ARG A 130 -15.425 8.150 -5.950 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.761 5.840 -5.526 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -16.163 5.792 -6.188 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -15.717 6.431 -7.758 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -14.398 4.400 -8.205 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -14.860 3.760 -6.640 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -16.881 4.597 -8.781 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -16.308 2.953 -8.584 1.00 25.00 H new ATOM 0 HE ARG A 130 -18.078 4.466 -6.727 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -19.154 3.387 -5.063 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -18.791 1.685 -4.759 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -16.404 1.349 -7.324 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -17.278 0.566 -6.003 1.00 25.00 H new ATOM 1957 N ASN A 131 -13.057 7.865 -7.909 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.010 8.318 -8.832 1.00 25.00 C ATOM 1959 C ASN A 131 -10.881 8.656 -7.909 1.00 25.00 C ATOM 1960 O ASN A 131 -11.026 9.213 -6.843 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.382 9.544 -9.583 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.498 9.341 -10.586 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.494 8.352 -11.298 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -14.390 10.238 -10.593 1.00 25.00 N ATOM 0 H ASN A 131 -13.783 8.561 -7.740 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.796 7.561 -9.586 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.682 10.315 -8.873 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.502 9.918 -10.106 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -15.183 10.163 -11.230 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -14.316 11.036 -9.962 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.667 8.320 -8.333 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.452 8.738 -7.646 1.00 25.00 C ATOM 1973 C LEU A 132 -7.774 9.896 -8.427 1.00 25.00 C ATOM 1974 O LEU A 132 -7.174 10.834 -7.898 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.382 7.633 -7.559 1.00 25.00 C ATOM 1976 CG LEU A 132 -7.331 6.782 -6.307 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.315 5.662 -6.503 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -7.105 7.541 -4.999 1.00 75.00 C ATOM 0 H LEU A 132 -9.499 7.750 -9.162 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.776 9.020 -6.644 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -7.523 6.966 -8.409 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -6.407 8.104 -7.681 1.00 25.00 H new ATOM 0 HG LEU A 132 -8.331 6.367 -6.179 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -6.274 5.046 -5.604 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.612 5.046 -7.352 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -5.332 6.092 -6.693 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -7.086 6.836 -4.168 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -6.154 8.072 -5.046 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -7.913 8.257 -4.849 1.00 75.00 H new ATOM 1990 N SER A 133 -7.815 9.787 -9.741 1.00 25.00 N ATOM 1991 CA SER A 133 -7.128 10.642 -10.628 1.00 25.00 C ATOM 1992 C SER A 133 -7.888 11.943 -10.720 1.00 25.00 C ATOM 1993 O SER A 133 -9.087 11.963 -11.016 1.00 25.00 O ATOM 1994 CB SER A 133 -7.063 10.032 -12.012 1.00 25.00 C ATOM 1995 OG SER A 133 -6.440 10.952 -12.862 1.00 25.00 O ATOM 0 H SER A 133 -8.356 9.065 -10.217 1.00 25.00 H new ATOM 0 HA SER A 133 -6.115 10.799 -10.258 1.00 25.00 H new ATOM 0 HB2 SER A 133 -6.505 9.096 -11.990 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.065 9.798 -12.373 1.00 25.00 H new ATOM 0 HG SER A 133 -5.485 10.742 -12.928 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.263 13.088 -10.505 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.935 14.395 -10.458 1.00 25.00 C ATOM 2003 C HIS A 134 -7.111 15.432 -11.135 1.00 25.00 C ATOM 2004 O HIS A 134 -5.893 15.246 -11.277 1.00 25.00 O ATOM 2005 CB HIS A 134 -8.258 14.687 -8.981 1.00 25.00 C ATOM 2006 CG HIS A 134 -9.381 13.925 -8.361 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -9.155 12.956 -7.381 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -10.739 13.905 -8.548 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -10.294 12.406 -7.021 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -11.230 13.008 -7.651 1.00 25.00 N ATOM 0 H HIS A 134 -6.256 13.147 -10.354 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.874 14.397 -11.011 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.358 14.497 -8.395 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -8.480 15.750 -8.888 1.00 25.00 H new ATOM 0 HD1 HIS A 134 -8.241 12.711 -7.000 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -11.305 14.484 -9.263 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -10.417 11.593 -6.320 1.00 25.00 H new ATOM 2018 N HIS A 135 -7.798 16.508 -11.592 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.089 17.619 -12.143 1.00 25.00 C ATOM 2020 C HIS A 135 -7.135 18.763 -11.119 1.00 25.00 C ATOM 2021 O HIS A 135 -8.125 19.001 -10.462 1.00 25.00 O ATOM 2022 CB HIS A 135 -7.711 18.008 -13.466 1.00 25.00 C ATOM 2023 CG HIS A 135 -7.700 16.927 -14.505 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -6.646 16.637 -15.335 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -8.651 16.041 -14.837 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -7.011 15.730 -16.230 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -8.225 15.335 -15.908 1.00 25.00 N ATOM 0 H HIS A 135 -8.814 16.602 -11.578 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.046 17.370 -12.341 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -8.742 18.315 -13.291 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -7.183 18.877 -13.859 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -9.598 15.913 -14.333 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -6.423 15.381 -17.066 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -8.759 14.612 -16.390 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.052 19.493 -10.979 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.832 20.531 -9.949 1.00 25.00 C ATOM 2037 C ILE A 136 -5.289 21.815 -10.603 1.00 25.00 C ATOM 2038 O ILE A 136 -4.330 21.738 -11.299 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.845 20.048 -8.814 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -5.334 18.727 -8.115 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.800 21.133 -7.726 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -4.892 17.389 -8.789 1.00 25.00 C ATOM 0 H ILE A 136 -5.251 19.388 -11.601 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.795 20.733 -9.481 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.876 19.865 -9.278 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -4.973 18.729 -7.087 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -6.423 18.745 -8.070 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -4.124 20.822 -6.930 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -4.445 22.068 -8.159 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.800 21.279 -7.317 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -5.287 16.547 -8.220 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -5.276 17.351 -9.808 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -3.804 17.334 -8.809 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.944 22.975 -10.495 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.403 24.206 -11.080 1.00 25.00 C ATOM 2056 C TYR A 137 -4.390 24.756 -10.082 1.00 25.00 C ATOM 2057 O TYR A 137 -4.680 24.825 -8.945 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.498 25.207 -11.390 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.088 26.480 -12.004 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -5.617 27.482 -11.166 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.300 26.772 -13.368 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -5.218 28.695 -11.712 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.852 27.973 -13.934 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.276 28.959 -13.081 1.00 25.00 C ATOM 2065 OH TYR A 137 -4.749 30.159 -13.549 1.00 25.00 O ATOM 0 H TYR A 137 -6.837 23.088 -10.015 1.00 25.00 H new ATOM 0 HA TYR A 137 -4.922 24.001 -12.036 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.217 24.727 -12.054 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.023 25.433 -10.462 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -5.561 27.320 -10.100 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.818 26.055 -13.988 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -4.848 29.465 -11.051 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.941 28.148 -14.996 1.00 25.00 H new ATOM 0 HH TYR A 137 -4.858 30.207 -14.522 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.177 25.000 -10.545 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.041 25.442 -9.754 1.00 25.00 C ATOM 2077 C ILE A 138 -1.812 26.895 -10.228 1.00 25.00 C ATOM 2078 O ILE A 138 -1.574 27.075 -11.457 1.00 25.00 O ATOM 2079 CB ILE A 138 -0.811 24.614 -10.015 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.993 23.041 -9.790 1.00 25.00 C ATOM 2081 CG2 ILE A 138 0.340 25.169 -9.111 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -1.399 22.629 -8.310 1.00 25.00 C ATOM 0 H ILE A 138 -2.945 24.890 -11.532 1.00 25.00 H new ATOM 0 HA ILE A 138 -2.232 25.352 -8.685 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.578 24.708 -11.076 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.755 22.674 -10.478 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -0.061 22.539 -10.050 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.247 24.588 -9.278 1.00 25.00 H new ATOM 0 HG22 ILE A 138 0.527 26.213 -9.361 1.00 25.00 H new ATOM 0 HG23 ILE A 138 0.049 25.093 -8.063 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -1.501 21.545 -8.249 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -0.627 22.961 -7.615 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -2.348 23.098 -8.049 1.00 25.00 H new ATOM 2094 N PRO A 139 -1.827 27.896 -9.305 1.00 25.00 N ATOM 2095 CA PRO A 139 -1.363 29.202 -9.745 1.00 25.00 C ATOM 2096 C PRO A 139 0.194 29.312 -10.019 1.00 25.00 C ATOM 2097 O PRO A 139 1.037 28.746 -9.306 1.00 25.00 O ATOM 2098 CB PRO A 139 -1.813 30.111 -8.591 1.00 25.00 C ATOM 2099 CG PRO A 139 -1.674 29.267 -7.400 1.00 25.00 C ATOM 2100 CD PRO A 139 -2.271 27.901 -7.865 1.00 25.00 C ATOM 0 HA PRO A 139 -1.773 29.464 -10.720 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -1.193 31.005 -8.522 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -2.841 30.446 -8.725 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -0.632 29.169 -7.094 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -2.219 29.677 -6.549 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -1.870 27.058 -7.303 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -3.356 27.864 -7.764 1.00 25.00 H new ATOM 2108 N GLU A 140 0.514 30.128 -11.000 1.00 25.00 N ATOM 2109 CA GLU A 140 1.911 30.538 -11.302 1.00 25.00 C ATOM 2110 C GLU A 140 1.966 32.018 -10.960 1.00 25.00 C ATOM 2111 O GLU A 140 1.908 32.952 -11.771 1.00 25.00 O ATOM 2112 CB GLU A 140 2.181 30.244 -12.785 1.00 25.00 C ATOM 2113 CG GLU A 140 3.653 30.643 -13.207 1.00 25.00 C ATOM 2114 CD GLU A 140 3.717 31.848 -14.121 1.00 25.00 C ATOM 2115 OE1 GLU A 140 4.287 32.924 -13.758 1.00 25.00 O ATOM 2116 OE2 GLU A 140 3.181 31.798 -15.264 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.176 30.540 -11.627 1.00 25.00 H new ATOM 0 HA GLU A 140 2.676 30.005 -10.737 1.00 25.00 H new ATOM 0 HB2 GLU A 140 2.022 29.183 -12.980 1.00 25.00 H new ATOM 0 HB3 GLU A 140 1.466 30.791 -13.400 1.00 25.00 H new ATOM 0 HG2 GLU A 140 4.236 30.847 -12.309 1.00 25.00 H new ATOM 0 HG3 GLU A 140 4.122 29.794 -13.705 1.00 25.00 H new ATOM 2123 N ASP A 141 1.849 32.266 -9.660 1.00 25.00 N ATOM 2124 CA ASP A 141 1.824 33.603 -9.076 1.00 25.00 C ATOM 2125 C ASP A 141 3.107 34.376 -9.298 1.00 25.00 C ATOM 2126 O ASP A 141 3.108 35.609 -9.444 1.00 25.00 O ATOM 2127 CB ASP A 141 1.428 33.489 -7.604 1.00 25.00 C ATOM 2128 CG ASP A 141 2.585 33.019 -6.699 1.00 25.00 C ATOM 2129 OD1 ASP A 141 3.241 31.995 -6.936 1.00 50.00 O ATOM 2130 OD2 ASP A 141 2.855 33.786 -5.714 1.00 50.00 O1- ATOM 0 H ASP A 141 1.767 31.524 -8.965 1.00 25.00 H new ATOM 0 HA ASP A 141 1.072 34.200 -9.593 1.00 25.00 H new ATOM 0 HB2 ASP A 141 1.072 34.458 -7.254 1.00 25.00 H new ATOM 0 HB3 ASP A 141 0.596 32.791 -7.511 1.00 25.00 H new ATOM 2135 N ARG A 142 4.192 33.635 -9.414 1.00 25.00 N ATOM 2136 CA ARG A 142 5.438 34.186 -9.875 1.00 25.00 C ATOM 2137 C ARG A 142 6.100 33.104 -10.718 1.00 25.00 C ATOM 2138 O ARG A 142 5.766 31.923 -10.529 1.00 25.00 O ATOM 2139 CB ARG A 142 6.401 34.453 -8.689 1.00 25.00 C ATOM 2140 CG ARG A 142 5.902 35.319 -7.571 1.00 25.00 C ATOM 2141 CD ARG A 142 7.071 35.655 -6.589 1.00 25.00 C ATOM 2142 NE ARG A 142 6.606 36.475 -5.468 1.00 25.00 N ATOM 2143 CZ ARG A 142 7.375 37.089 -4.569 1.00 25.00 C ATOM 2144 NH1 ARG A 142 6.815 37.735 -3.614 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 8.665 36.954 -4.512 1.00 25.00 N ATOM 0 H ARG A 142 4.228 32.640 -9.191 1.00 25.00 H new ATOM 0 HA ARG A 142 5.247 35.115 -10.411 1.00 25.00 H new ATOM 0 HB2 ARG A 142 6.688 33.490 -8.266 1.00 25.00 H new ATOM 0 HB3 ARG A 142 7.307 34.909 -9.088 1.00 25.00 H new ATOM 0 HG2 ARG A 142 5.480 36.239 -7.974 1.00 25.00 H new ATOM 0 HG3 ARG A 142 5.102 34.809 -7.035 1.00 25.00 H new ATOM 0 HD2 ARG A 142 7.507 34.731 -6.210 1.00 25.00 H new ATOM 0 HD3 ARG A 142 7.859 36.183 -7.126 1.00 25.00 H new ATOM 0 HE ARG A 142 5.597 36.587 -5.366 1.00 25.00 H new ATOM 0 HH11 ARG A 142 5.798 37.773 -3.552 1.00 25.00 H new ATOM 0 HH12 ARG A 142 7.387 38.211 -2.916 1.00 25.00 H new ATOM 0 HH21 ARG A 142 9.145 36.351 -5.180 1.00 25.00 H new ATOM 0 HH22 ARG A 142 9.199 37.451 -3.799 1.00 25.00 H new ATOM 2159 N LEU A 143 7.032 33.418 -11.612 1.00 25.00 N ATOM 2160 CA LEU A 143 7.831 32.345 -12.238 1.00 25.00 C ATOM 2161 C LEU A 143 8.859 31.981 -11.083 1.00 25.00 C ATOM 2162 O LEU A 143 9.340 32.845 -10.337 1.00 25.00 O ATOM 2163 CB LEU A 143 8.649 32.775 -13.447 1.00 25.00 C ATOM 2164 CG LEU A 143 9.749 33.832 -13.619 1.00 25.00 C ATOM 2165 CD1 LEU A 143 10.433 33.502 -14.916 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.112 35.168 -13.592 1.00 50.00 C ATOM 0 H LEU A 143 7.255 34.365 -11.917 1.00 25.00 H new ATOM 0 HA LEU A 143 7.177 31.552 -12.600 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.114 31.852 -13.793 1.00 25.00 H new ATOM 0 HB3 LEU A 143 7.899 33.052 -14.188 1.00 25.00 H new ATOM 0 HG LEU A 143 10.497 33.838 -12.826 1.00 25.00 H new ATOM 0 HD11 LEU A 143 11.232 34.221 -15.099 1.00 50.00 H new ATOM 0 HD12 LEU A 143 10.854 32.498 -14.860 1.00 50.00 H new ATOM 0 HD13 LEU A 143 9.710 33.547 -15.730 1.00 50.00 H new ATOM 0 HD21 LEU A 143 9.875 35.937 -13.713 1.00 50.00 H new ATOM 0 HD22 LEU A 143 8.389 35.243 -14.405 1.00 50.00 H new ATOM 0 HD23 LEU A 143 8.602 35.309 -12.639 1.00 50.00 H new ATOM 2178 N GLY A 144 9.131 30.705 -10.872 1.00 25.00 N ATOM 2179 CA GLY A 144 9.927 30.199 -9.795 1.00 25.00 C ATOM 2180 C GLY A 144 9.532 28.830 -9.252 1.00 25.00 C ATOM 2181 O GLY A 144 8.522 28.174 -9.615 1.00 25.00 O ATOM 0 H GLY A 144 8.780 29.967 -11.483 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.963 30.149 -10.129 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.890 30.916 -8.975 1.00 25.00 H new ATOM 2185 N TYR A 145 10.351 28.392 -8.281 1.00 25.00 N ATOM 2186 CA TYR A 145 10.181 27.193 -7.497 1.00 25.00 C ATOM 2187 C TYR A 145 8.953 27.244 -6.549 1.00 25.00 C ATOM 2188 O TYR A 145 8.581 28.242 -6.014 1.00 25.00 O ATOM 2189 CB TYR A 145 11.417 27.038 -6.696 1.00 25.00 C ATOM 2190 CG TYR A 145 11.213 26.522 -5.331 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.165 27.478 -4.260 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.073 25.160 -4.966 1.00 50.00 C ATOM 2193 CE1 TYR A 145 10.921 27.023 -2.905 1.00 25.00 C ATOM 2194 CE2 TYR A 145 10.845 24.694 -3.616 1.00 25.00 C ATOM 2195 CZ TYR A 145 10.682 25.662 -2.647 1.00 25.00 C ATOM 2196 OH TYR A 145 10.386 25.254 -1.370 1.00 25.00 O ATOM 0 H TYR A 145 11.192 28.906 -8.020 1.00 25.00 H new ATOM 0 HA TYR A 145 10.003 26.354 -8.169 1.00 25.00 H new ATOM 0 HB2 TYR A 145 12.093 26.366 -7.225 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.914 28.006 -6.632 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.310 28.529 -4.463 1.00 50.00 H new ATOM 0 HD2 TYR A 145 11.141 24.420 -5.749 1.00 50.00 H new ATOM 0 HE1 TYR A 145 10.923 27.733 -2.091 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.804 23.641 -3.379 1.00 25.00 H new ATOM 0 HH TYR A 145 9.418 25.130 -1.282 1.00 25.00 H new ATOM 2206 N HIS A 146 8.236 26.147 -6.485 1.00 25.00 N ATOM 2207 CA HIS A 146 7.108 25.906 -5.624 1.00 25.00 C ATOM 2208 C HIS A 146 7.097 24.428 -5.217 1.00 25.00 C ATOM 2209 O HIS A 146 7.756 23.595 -5.885 1.00 25.00 O ATOM 2210 CB HIS A 146 5.730 26.231 -6.321 1.00 25.00 C ATOM 2211 CG HIS A 146 5.495 27.637 -6.709 1.00 25.00 C ATOM 2212 ND1 HIS A 146 6.085 28.235 -7.838 1.00 25.00 N ATOM 2213 CD2 HIS A 146 4.729 28.616 -6.143 1.00 25.00 C ATOM 2214 CE1 HIS A 146 5.642 29.477 -7.954 1.00 25.00 C ATOM 2215 NE2 HIS A 146 4.798 29.708 -6.954 1.00 25.00 N ATOM 0 H HIS A 146 8.443 25.343 -7.077 1.00 25.00 H new ATOM 0 HA HIS A 146 7.216 26.564 -4.762 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.648 25.613 -7.215 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.929 25.926 -5.648 1.00 25.00 H new ATOM 0 HD1 HIS A 146 6.749 27.783 -8.467 1.00 25.00 H new ATOM 0 HD2 HIS A 146 4.171 28.538 -5.222 1.00 25.00 H new ATOM 0 HE1 HIS A 146 5.918 30.180 -8.726 1.00 25.00 H new ATOM 0 HE2 HIS A 146 4.279 30.575 -6.814 1.00 25.00 H new ATOM 2223 N VAL A 147 6.296 24.070 -4.231 1.00 25.00 N ATOM 2224 CA VAL A 147 6.073 22.614 -3.950 1.00 25.00 C ATOM 2225 C VAL A 147 4.532 22.356 -4.011 1.00 25.00 C ATOM 2226 O VAL A 147 3.731 23.256 -3.663 1.00 25.00 O ATOM 2227 CB VAL A 147 6.698 22.161 -2.543 1.00 25.00 C ATOM 2228 CG1 VAL A 147 6.802 20.723 -2.397 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.158 22.765 -2.419 1.00 50.00 C ATOM 0 H VAL A 147 5.796 24.715 -3.619 1.00 25.00 H new ATOM 0 HA VAL A 147 6.588 22.011 -4.698 1.00 25.00 H new ATOM 0 HB VAL A 147 6.026 22.527 -1.766 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.232 20.486 -1.424 1.00 50.00 H new ATOM 0 HG12 VAL A 147 5.810 20.277 -2.474 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.442 20.323 -3.184 1.00 50.00 H new ATOM 0 HG21 VAL A 147 8.596 22.465 -1.467 1.00 50.00 H new ATOM 0 HG22 VAL A 147 8.776 22.393 -3.236 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.107 23.853 -2.469 1.00 50.00 H new ATOM 2239 N ILE A 148 4.125 21.194 -4.503 1.00 25.00 N ATOM 2240 CA ILE A 148 2.726 20.789 -4.511 1.00 25.00 C ATOM 2241 C ILE A 148 2.691 19.631 -3.524 1.00 25.00 C ATOM 2242 O ILE A 148 3.347 18.602 -3.791 1.00 25.00 O ATOM 2243 CB ILE A 148 2.231 20.389 -5.923 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.469 21.534 -6.965 1.00 25.00 C ATOM 2245 CG2 ILE A 148 0.791 20.025 -5.799 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.292 21.017 -8.489 1.00 25.00 C ATOM 0 H ILE A 148 4.757 20.504 -4.909 1.00 25.00 H new ATOM 0 HA ILE A 148 2.052 21.598 -4.230 1.00 25.00 H new ATOM 0 HB ILE A 148 2.797 19.537 -6.300 1.00 25.00 H new ATOM 0 HG12 ILE A 148 1.769 22.348 -6.775 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.472 21.940 -6.834 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.403 19.736 -6.776 1.00 25.00 H new ATOM 0 HG22 ILE A 148 0.685 19.191 -5.105 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.230 20.881 -5.425 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.466 21.845 -9.177 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.010 20.222 -8.689 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.280 20.636 -8.629 1.00 25.00 H new ATOM 2258 N LEU A 149 2.035 19.775 -2.396 1.00 25.00 N ATOM 2259 CA LEU A 149 2.107 18.811 -1.285 1.00 25.00 C ATOM 2260 C LEU A 149 0.822 17.959 -1.223 1.00 25.00 C ATOM 2261 O LEU A 149 -0.262 18.412 -1.665 1.00 25.00 O ATOM 2262 CB LEU A 149 2.321 19.577 0.045 1.00 25.00 C ATOM 2263 CG LEU A 149 3.525 20.505 0.267 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.514 21.920 -0.430 1.00 50.00 C ATOM 2265 CD2 LEU A 149 3.757 20.846 1.803 1.00 50.00 C ATOM 0 H LEU A 149 1.424 20.570 -2.206 1.00 25.00 H new ATOM 0 HA LEU A 149 2.948 18.136 -1.448 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.427 20.178 0.208 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.351 18.829 0.837 1.00 25.00 H new ATOM 0 HG LEU A 149 4.303 19.893 -0.190 1.00 25.00 H new ATOM 0 HD11 LEU A 149 4.429 22.456 -0.179 1.00 50.00 H new ATOM 0 HD12 LEU A 149 3.453 21.793 -1.511 1.00 50.00 H new ATOM 0 HD13 LEU A 149 2.652 22.490 -0.083 1.00 50.00 H new ATOM 0 HD21 LEU A 149 4.620 21.505 1.903 1.00 50.00 H new ATOM 0 HD22 LEU A 149 2.873 21.343 2.203 1.00 50.00 H new ATOM 0 HD23 LEU A 149 3.937 19.925 2.357 1.00 50.00 H new ATOM 2277 N ALA A 150 0.881 16.722 -0.693 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.253 15.802 -0.729 1.00 25.00 C ATOM 2279 C ALA A 150 -0.249 14.928 0.553 1.00 25.00 C ATOM 2280 O ALA A 150 0.808 14.397 0.957 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.149 14.941 -1.944 1.00 25.00 C ATOM 0 H ALA A 150 1.710 16.343 -0.235 1.00 25.00 H new ATOM 0 HA ALA A 150 -1.186 16.363 -0.770 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -0.993 14.252 -1.975 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.158 15.568 -2.836 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.781 14.373 -1.909 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.432 14.737 1.149 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.512 13.883 2.292 1.00 25.00 C ATOM 2289 C VAL A 151 -2.671 12.944 2.209 1.00 25.00 C ATOM 2290 O VAL A 151 -3.798 13.387 1.930 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.717 14.781 3.560 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.977 13.890 4.882 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.462 15.588 3.798 1.00 50.00 C ATOM 0 H VAL A 151 -2.313 15.159 0.854 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.594 13.298 2.342 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.582 15.419 3.380 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.115 14.546 5.742 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.871 13.283 4.742 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.120 13.239 5.056 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.595 16.216 4.679 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.379 14.914 3.957 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.264 16.217 2.930 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.458 11.672 2.551 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.360 10.514 2.372 1.00 25.00 C ATOM 2305 C TRP A 152 -3.636 10.012 3.781 1.00 25.00 C ATOM 2306 O TRP A 152 -2.664 9.761 4.466 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.645 9.457 1.502 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.318 8.136 1.421 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.622 7.965 1.048 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -2.783 6.860 1.677 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -4.971 6.647 1.054 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -3.875 5.919 1.478 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -1.525 6.337 2.018 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -3.708 4.509 1.576 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -1.374 4.937 2.114 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -2.462 4.049 1.856 1.00 25.00 C ATOM 0 H TRP A 152 -1.583 11.394 2.996 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.294 10.756 1.865 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.539 9.854 0.492 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -1.639 9.309 1.894 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.290 8.771 0.783 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.880 6.266 0.792 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -0.688 6.994 2.203 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -4.538 3.833 1.433 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -0.413 4.528 2.389 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -2.289 2.983 1.884 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.877 9.895 4.153 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.257 9.387 5.459 1.00 25.00 C ATOM 2329 C ASP A 153 -5.972 8.061 5.284 1.00 25.00 C ATOM 2330 O ASP A 153 -6.802 7.866 4.344 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.236 10.324 6.219 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.618 11.589 6.675 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -4.470 11.523 7.167 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -6.269 12.650 6.662 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.668 10.149 3.561 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.336 9.301 6.036 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -7.080 10.556 5.570 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.635 9.793 7.083 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.697 7.133 6.181 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.282 5.800 6.109 1.00 25.00 C ATOM 2341 C VAL A 154 -7.314 5.770 7.205 1.00 25.00 C ATOM 2342 O VAL A 154 -7.132 6.155 8.331 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.104 4.723 6.248 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.624 3.289 5.981 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -3.934 4.956 5.260 1.00 50.00 C ATOM 0 H VAL A 154 -5.070 7.275 6.973 1.00 25.00 H new ATOM 0 HA VAL A 154 -6.774 5.558 5.167 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.744 4.841 7.270 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.803 2.579 6.082 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -6.405 3.045 6.701 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -6.031 3.232 4.971 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.173 4.190 5.410 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -4.306 4.902 4.237 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -3.499 5.940 5.437 1.00 50.00 H new ATOM 2355 N ALA A 155 -8.423 5.147 6.835 1.00 25.00 N ATOM 2356 CA ALA A 155 -9.519 4.967 7.763 1.00 25.00 C ATOM 2357 C ALA A 155 -9.435 3.636 8.500 1.00 25.00 C ATOM 2358 O ALA A 155 -10.037 3.524 9.527 1.00 25.00 O ATOM 2359 CB ALA A 155 -10.832 5.006 7.029 1.00 25.00 C ATOM 0 H ALA A 155 -8.583 4.762 5.904 1.00 25.00 H new ATOM 0 HA ALA A 155 -9.451 5.779 8.487 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -11.649 4.869 7.737 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.941 5.969 6.530 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.858 4.208 6.287 1.00 25.00 H new ATOM 2365 N ASP A 156 -8.717 2.692 7.977 1.00 25.00 N ATOM 2366 CA ASP A 156 -8.579 1.382 8.691 1.00 25.00 C ATOM 2367 C ASP A 156 -7.630 1.372 9.894 1.00 25.00 C ATOM 2368 O ASP A 156 -7.737 0.544 10.770 1.00 25.00 O ATOM 2369 CB ASP A 156 -8.066 0.303 7.734 1.00 25.00 C ATOM 2370 CG ASP A 156 -9.037 -0.037 6.639 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -10.276 -0.002 6.899 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -8.589 -0.413 5.501 1.00 25.00 O1- ATOM 0 H ASP A 156 -8.218 2.761 7.090 1.00 25.00 H new ATOM 0 HA ASP A 156 -9.586 1.192 9.061 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -7.130 0.639 7.288 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -7.841 -0.599 8.303 1.00 25.00 H new ATOM 2377 N THR A 157 -6.706 2.288 9.901 1.00 25.00 N ATOM 2378 CA THR A 157 -5.579 2.328 10.848 1.00 25.00 C ATOM 2379 C THR A 157 -5.169 3.746 11.237 1.00 25.00 C ATOM 2380 O THR A 157 -5.838 4.636 10.755 1.00 25.00 O ATOM 2381 CB THR A 157 -4.290 1.710 10.209 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.810 2.617 9.201 1.00 25.00 O ATOM 2383 CG2 THR A 157 -4.488 0.332 9.594 1.00 25.00 C ATOM 0 H THR A 157 -6.696 3.061 9.236 1.00 25.00 H new ATOM 0 HA THR A 157 -5.935 1.775 11.717 1.00 25.00 H new ATOM 0 HB THR A 157 -3.572 1.571 11.017 1.00 25.00 H new ATOM 0 HG1 THR A 157 -3.353 2.111 8.497 1.00 25.00 H new ATOM 0 HG21 THR A 157 -3.545 -0.019 9.176 1.00 25.00 H new ATOM 0 HG22 THR A 157 -4.825 -0.364 10.362 1.00 25.00 H new ATOM 0 HG23 THR A 157 -5.236 0.390 8.803 1.00 25.00 H new ATOM 2391 N GLU A 158 -4.162 3.949 12.083 1.00 25.00 N ATOM 2392 CA GLU A 158 -3.721 5.286 12.462 1.00 25.00 C ATOM 2393 C GLU A 158 -2.661 5.847 11.532 1.00 25.00 C ATOM 2394 O GLU A 158 -2.051 6.949 11.666 1.00 25.00 O ATOM 2395 CB GLU A 158 -3.197 5.183 13.900 1.00 25.00 C ATOM 2396 CG GLU A 158 -3.162 6.489 14.658 1.00 25.00 C ATOM 2397 CD GLU A 158 -2.687 6.315 16.102 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -3.323 5.553 16.906 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -1.695 6.977 16.465 1.00 25.00 O1- ATOM 0 H GLU A 158 -3.633 3.196 12.522 1.00 25.00 H new ATOM 0 HA GLU A 158 -4.557 5.982 12.389 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -3.821 4.477 14.449 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -2.190 4.766 13.876 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -2.502 7.187 14.143 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -4.158 6.933 14.657 1.00 25.00 H new ATOM 2406 N ASN A 159 -2.348 5.048 10.548 1.00 25.00 N ATOM 2407 CA ASN A 159 -1.339 5.466 9.607 1.00 25.00 C ATOM 2408 C ASN A 159 -1.843 6.477 8.632 1.00 25.00 C ATOM 2409 O ASN A 159 -3.064 6.601 8.422 1.00 25.00 O ATOM 2410 CB ASN A 159 -0.853 4.231 8.809 1.00 25.00 C ATOM 2411 CG ASN A 159 -0.206 3.175 9.671 1.00 25.00 C ATOM 2412 OD1 ASN A 159 0.629 3.497 10.504 1.00 25.00 O ATOM 2413 ND2 ASN A 159 -0.680 1.940 9.550 1.00 25.00 N ATOM 0 H ASN A 159 -2.761 4.131 10.377 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.533 5.922 10.182 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -1.701 3.791 8.284 1.00 25.00 H new ATOM 0 HB3 ASN A 159 -0.141 4.556 8.050 1.00 25.00 H new ATOM 0 HD21 ASN A 159 -0.347 1.203 10.171 1.00 25.00 H new ATOM 0 HD22 ASN A 159 -1.377 1.729 8.836 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.952 7.233 8.031 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.228 8.230 7.010 1.00 25.00 C ATOM 2422 C ALA A 160 0.148 8.442 6.317 1.00 25.00 C ATOM 2423 O ALA A 160 1.123 8.125 6.942 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.700 9.486 7.723 1.00 25.00 C ATOM 0 H ALA A 160 0.042 7.168 8.251 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.992 7.953 6.284 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.918 10.261 6.988 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.601 9.263 8.294 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.920 9.836 8.399 1.00 25.00 H new ATOM 2430 N PHE A 161 0.230 8.961 5.094 1.00 25.00 N ATOM 2431 CA PHE A 161 1.534 9.307 4.498 1.00 25.00 C ATOM 2432 C PHE A 161 1.383 10.568 3.611 1.00 25.00 C ATOM 2433 O PHE A 161 0.339 10.900 3.029 1.00 25.00 O ATOM 2434 CB PHE A 161 2.088 8.168 3.656 1.00 25.00 C ATOM 2435 CG PHE A 161 3.538 8.232 3.533 1.00 25.00 C ATOM 2436 CD1 PHE A 161 4.176 8.590 2.340 1.00 50.00 C ATOM 2437 CD2 PHE A 161 4.343 7.962 4.691 1.00 50.00 C ATOM 2438 CE1 PHE A 161 5.655 8.697 2.330 1.00 25.00 C ATOM 2439 CE2 PHE A 161 5.734 8.020 4.666 1.00 25.00 C ATOM 2440 CZ PHE A 161 6.362 8.361 3.420 1.00 25.00 C ATOM 0 H PHE A 161 -0.575 9.152 4.497 1.00 25.00 H new ATOM 0 HA PHE A 161 2.231 9.498 5.314 1.00 25.00 H new ATOM 0 HB2 PHE A 161 1.804 7.216 4.104 1.00 25.00 H new ATOM 0 HB3 PHE A 161 1.639 8.200 2.663 1.00 25.00 H new ATOM 0 HD1 PHE A 161 3.603 8.784 1.445 1.00 50.00 H new ATOM 0 HD2 PHE A 161 3.851 7.704 5.617 1.00 50.00 H new ATOM 0 HE1 PHE A 161 6.164 9.046 1.444 1.00 25.00 H new ATOM 0 HE2 PHE A 161 6.319 7.816 5.551 1.00 25.00 H new ATOM 0 HZ PHE A 161 7.440 8.346 3.358 1.00 25.00 H new ATOM 2450 N TYR A 162 2.558 11.173 3.444 1.00 25.00 N ATOM 2451 CA TYR A 162 2.735 12.488 2.861 1.00 25.00 C ATOM 2452 C TYR A 162 3.575 12.237 1.639 1.00 25.00 C ATOM 2453 O TYR A 162 4.487 11.469 1.671 1.00 25.00 O ATOM 2454 CB TYR A 162 3.488 13.398 3.874 1.00 25.00 C ATOM 2455 CG TYR A 162 4.470 12.647 4.777 1.00 25.00 C ATOM 2456 CD1 TYR A 162 5.796 12.461 4.371 1.00 50.00 C ATOM 2457 CD2 TYR A 162 4.015 12.133 6.020 1.00 50.00 C ATOM 2458 CE1 TYR A 162 6.697 11.591 5.148 1.00 25.00 C ATOM 2459 CE2 TYR A 162 4.868 11.217 6.729 1.00 25.00 C ATOM 2460 CZ TYR A 162 6.168 10.962 6.324 1.00 25.00 C ATOM 2461 OH TYR A 162 7.059 10.049 6.907 1.00 25.00 O ATOM 0 H TYR A 162 3.439 10.740 3.723 1.00 25.00 H new ATOM 0 HA TYR A 162 1.797 12.987 2.616 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.032 14.165 3.323 1.00 25.00 H new ATOM 0 HB3 TYR A 162 2.757 13.912 4.498 1.00 25.00 H new ATOM 0 HD1 TYR A 162 6.161 12.957 3.484 1.00 50.00 H new ATOM 0 HD2 TYR A 162 3.055 12.422 6.422 1.00 50.00 H new ATOM 0 HE1 TYR A 162 7.721 11.432 4.842 1.00 25.00 H new ATOM 0 HE2 TYR A 162 4.483 10.713 7.603 1.00 25.00 H new ATOM 0 HH TYR A 162 7.090 9.232 6.367 1.00 25.00 H new ATOM 2471 N GLN A 163 3.321 12.989 0.580 1.00 25.00 N ATOM 2472 CA GLN A 163 4.076 12.933 -0.650 1.00 25.00 C ATOM 2473 C GLN A 163 4.218 14.353 -1.176 1.00 25.00 C ATOM 2474 O GLN A 163 3.279 15.118 -0.990 1.00 25.00 O ATOM 2475 CB GLN A 163 3.315 12.057 -1.669 1.00 25.00 C ATOM 2476 CG GLN A 163 4.116 11.591 -2.922 1.00 25.00 C ATOM 2477 CD GLN A 163 4.288 12.658 -4.012 1.00 25.00 C ATOM 2478 OE1 GLN A 163 3.577 13.667 -4.067 1.00 25.00 O ATOM 2479 NE2 GLN A 163 5.299 12.461 -4.822 1.00 25.00 N ATOM 0 H GLN A 163 2.563 13.671 0.557 1.00 25.00 H new ATOM 0 HA GLN A 163 5.062 12.500 -0.485 1.00 25.00 H new ATOM 0 HB2 GLN A 163 2.948 11.171 -1.150 1.00 25.00 H new ATOM 0 HB3 GLN A 163 2.441 12.612 -2.010 1.00 25.00 H new ATOM 0 HG2 GLN A 163 5.103 11.258 -2.601 1.00 25.00 H new ATOM 0 HG3 GLN A 163 3.613 10.727 -3.356 1.00 25.00 H new ATOM 0 HE21 GLN A 163 5.860 11.613 -4.741 1.00 25.00 H new ATOM 0 HE22 GLN A 163 5.525 13.156 -5.534 1.00 25.00 H new ATOM 2488 N VAL A 164 5.370 14.774 -1.680 1.00 25.00 N ATOM 2489 CA VAL A 164 5.458 16.127 -2.228 1.00 25.00 C ATOM 2490 C VAL A 164 6.066 16.079 -3.603 1.00 25.00 C ATOM 2491 O VAL A 164 6.815 15.148 -3.908 1.00 25.00 O ATOM 2492 CB VAL A 164 6.331 17.121 -1.326 1.00 25.00 C ATOM 2493 CG1 VAL A 164 5.762 17.295 0.079 1.00 75.00 C ATOM 2494 CG2 VAL A 164 7.801 16.647 -1.288 1.00 75.00 C ATOM 0 H VAL A 164 6.229 14.225 -1.723 1.00 25.00 H new ATOM 0 HA VAL A 164 4.439 16.512 -2.255 1.00 25.00 H new ATOM 0 HB VAL A 164 6.291 18.107 -1.789 1.00 25.00 H new ATOM 0 HG11 VAL A 164 6.394 17.979 0.645 1.00 75.00 H new ATOM 0 HG12 VAL A 164 4.753 17.702 0.015 1.00 75.00 H new ATOM 0 HG13 VAL A 164 5.732 16.328 0.582 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.387 17.329 -0.672 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.849 15.644 -0.865 1.00 75.00 H new ATOM 0 HG23 VAL A 164 8.205 16.633 -2.300 1.00 75.00 H new ATOM 2504 N ILE A 165 5.787 17.094 -4.413 1.00 25.00 N ATOM 2505 CA ILE A 165 6.473 17.224 -5.711 1.00 25.00 C ATOM 2506 C ILE A 165 7.020 18.634 -5.822 1.00 25.00 C ATOM 2507 O ILE A 165 6.305 19.638 -5.884 1.00 25.00 O ATOM 2508 CB ILE A 165 5.554 16.784 -6.950 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.027 15.326 -6.722 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.415 16.910 -8.211 1.00 25.00 C ATOM 2511 CD1 ILE A 165 4.320 14.655 -7.880 1.00 25.00 C ATOM 0 H ILE A 165 5.108 17.828 -4.209 1.00 25.00 H new ATOM 0 HA ILE A 165 7.308 16.525 -5.754 1.00 25.00 H new ATOM 0 HB ILE A 165 4.673 17.417 -7.055 1.00 25.00 H new ATOM 0 HG12 ILE A 165 5.874 14.702 -6.436 1.00 25.00 H new ATOM 0 HG13 ILE A 165 4.343 15.343 -5.873 1.00 25.00 H new ATOM 0 HG21 ILE A 165 5.828 16.620 -9.083 1.00 25.00 H new ATOM 0 HG22 ILE A 165 6.746 17.942 -8.324 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.284 16.258 -8.125 1.00 25.00 H new ATOM 0 HD11 ILE A 165 4.009 13.653 -7.585 1.00 25.00 H new ATOM 0 HD12 ILE A 165 3.444 15.240 -8.159 1.00 25.00 H new ATOM 0 HD13 ILE A 165 4.998 14.588 -8.731 1.00 25.00 H new ATOM 2523 N ASP A 166 8.365 18.722 -5.866 1.00 25.00 N ATOM 2524 CA ASP A 166 9.116 20.012 -5.959 1.00 25.00 C ATOM 2525 C ASP A 166 9.106 20.481 -7.422 1.00 25.00 C ATOM 2526 O ASP A 166 9.482 19.657 -8.290 1.00 25.00 O ATOM 2527 CB ASP A 166 10.515 19.807 -5.372 1.00 25.00 C ATOM 2528 CG ASP A 166 11.230 21.070 -4.987 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.553 21.949 -5.826 1.00 25.00 O ATOM 2530 OD2 ASP A 166 11.612 21.174 -3.816 1.00 25.00 O1- ATOM 0 H ASP A 166 8.972 17.903 -5.839 1.00 25.00 H new ATOM 0 HA ASP A 166 8.650 20.807 -5.376 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.434 19.170 -4.491 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.123 19.270 -6.100 1.00 25.00 H new ATOM 2535 N VAL A 167 8.546 21.631 -7.753 1.00 25.00 N ATOM 2536 CA VAL A 167 8.382 22.042 -9.129 1.00 25.00 C ATOM 2537 C VAL A 167 8.952 23.482 -9.426 1.00 25.00 C ATOM 2538 O VAL A 167 8.993 24.326 -8.551 1.00 25.00 O ATOM 2539 CB VAL A 167 6.844 21.951 -9.532 1.00 25.00 C ATOM 2540 CG1 VAL A 167 6.391 20.498 -9.637 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.912 22.757 -8.638 1.00 50.00 C ATOM 0 H VAL A 167 8.193 22.304 -7.072 1.00 25.00 H new ATOM 0 HA VAL A 167 8.970 21.357 -9.740 1.00 25.00 H new ATOM 0 HB VAL A 167 6.772 22.417 -10.515 1.00 25.00 H new ATOM 0 HG11 VAL A 167 5.337 20.465 -9.913 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.982 19.987 -10.397 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.530 20.003 -8.676 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.885 22.639 -8.983 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.993 22.400 -7.611 1.00 50.00 H new ATOM 0 HG23 VAL A 167 6.190 23.810 -8.679 1.00 50.00 H new ATOM 2551 N ASP A 168 9.295 23.784 -10.671 1.00 25.00 N ATOM 2552 CA ASP A 168 9.673 25.135 -11.121 1.00 25.00 C ATOM 2553 C ASP A 168 8.515 25.534 -12.037 1.00 25.00 C ATOM 2554 O ASP A 168 8.498 25.072 -13.134 1.00 25.00 O ATOM 2555 CB ASP A 168 11.025 25.021 -11.872 1.00 25.00 C ATOM 2556 CG ASP A 168 11.631 26.356 -12.245 1.00 25.00 C ATOM 2557 OD1 ASP A 168 12.674 26.316 -12.962 1.00 25.00 O ATOM 2558 OD2 ASP A 168 11.135 27.378 -11.720 1.00 25.00 O1- ATOM 0 H ASP A 168 9.322 23.090 -11.418 1.00 25.00 H new ATOM 0 HA ASP A 168 9.817 25.874 -10.333 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.731 24.474 -11.248 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.878 24.433 -12.778 1.00 25.00 H new ATOM 2563 N LEU A 169 7.552 26.296 -11.590 1.00 25.00 N ATOM 2564 CA LEU A 169 6.426 26.671 -12.506 1.00 25.00 C ATOM 2565 C LEU A 169 6.979 27.966 -13.076 1.00 25.00 C ATOM 2566 O LEU A 169 7.292 28.906 -12.334 1.00 25.00 O ATOM 2567 CB LEU A 169 5.169 26.981 -11.708 1.00 25.00 C ATOM 2568 CG LEU A 169 4.527 25.939 -10.799 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.459 26.709 -10.030 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.978 24.735 -11.607 1.00 50.00 C ATOM 0 H LEU A 169 7.492 26.673 -10.644 1.00 25.00 H new ATOM 0 HA LEU A 169 6.151 25.904 -13.230 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.393 27.848 -11.087 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.407 27.290 -12.424 1.00 25.00 H new ATOM 0 HG LEU A 169 5.237 25.478 -10.112 1.00 25.00 H new ATOM 0 HD11 LEU A 169 2.943 26.033 -9.348 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.928 27.511 -9.460 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.741 27.134 -10.731 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.528 24.014 -10.925 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.225 25.084 -12.314 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.794 24.260 -12.151 1.00 50.00 H new ATOM 2582 N VAL A 170 6.885 28.166 -14.371 1.00 25.00 N ATOM 2583 CA VAL A 170 7.233 29.469 -15.036 1.00 25.00 C ATOM 2584 C VAL A 170 6.186 29.945 -16.033 1.00 25.00 C ATOM 2585 O VAL A 170 5.316 29.219 -16.436 1.00 25.00 O ATOM 2586 CB VAL A 170 8.592 29.402 -15.730 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.784 28.987 -14.694 1.00 50.00 C ATOM 2588 CG2 VAL A 170 8.620 28.391 -16.831 1.00 50.00 C ATOM 0 H VAL A 170 6.568 27.448 -15.022 1.00 25.00 H new ATOM 0 HA VAL A 170 7.269 30.196 -14.225 1.00 25.00 H new ATOM 0 HB VAL A 170 8.751 30.404 -16.128 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.734 28.951 -15.228 1.00 50.00 H new ATOM 0 HG12 VAL A 170 9.845 29.726 -13.895 1.00 50.00 H new ATOM 0 HG13 VAL A 170 9.570 28.007 -14.267 1.00 50.00 H new ATOM 0 HG21 VAL A 170 9.608 28.382 -17.292 1.00 50.00 H new ATOM 0 HG22 VAL A 170 8.401 27.404 -16.424 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.872 28.649 -17.581 1.00 50.00 H new ATOM 2598 N ASN A 171 6.326 31.198 -16.487 1.00 25.00 N ATOM 2599 CA ASN A 171 5.439 31.677 -17.548 1.00 25.00 C ATOM 2600 C ASN A 171 5.602 30.796 -18.803 1.00 25.00 C ATOM 2601 O ASN A 171 6.747 30.373 -19.195 1.00 25.00 O ATOM 2602 CB ASN A 171 5.825 33.108 -17.834 1.00 25.00 C ATOM 2603 CG ASN A 171 4.870 33.803 -18.730 1.00 25.00 C ATOM 2604 OD1 ASN A 171 3.742 33.286 -18.995 1.00 25.00 O ATOM 2605 ND2 ASN A 171 5.183 34.947 -19.152 1.00 25.00 N ATOM 0 H ASN A 171 7.015 31.871 -16.152 1.00 25.00 H new ATOM 0 HA ASN A 171 4.393 31.624 -17.247 1.00 25.00 H new ATOM 0 HB2 ASN A 171 5.893 33.654 -16.893 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.817 33.127 -18.286 1.00 25.00 H new ATOM 0 HD21 ASN A 171 4.524 35.479 -19.720 1.00 25.00 H new ATOM 0 HD22 ASN A 171 6.096 35.342 -18.926 1.00 25.00 H new ATOM 2612 N LYS A 172 4.445 30.520 -19.423 1.00 25.00 N ATOM 2613 CA LYS A 172 4.361 29.753 -20.663 1.00 25.00 C ATOM 2614 C LYS A 172 4.973 30.446 -21.940 1.00 25.00 C ATOM 2615 O LYS A 172 5.323 31.644 -21.865 1.00 25.00 O ATOM 2616 CB LYS A 172 2.931 29.324 -20.844 1.00 25.00 C ATOM 2617 CG LYS A 172 2.018 30.480 -21.303 1.00 25.00 C ATOM 2618 CD LYS A 172 0.617 30.078 -21.604 1.00 25.00 C ATOM 2619 CE LYS A 172 -0.220 31.252 -22.076 1.00 25.00 C ATOM 2620 NZ LYS A 172 -1.622 30.907 -22.431 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 5.197 29.776 -22.977 1.00 25.00 O1- ATOM 0 H LYS A 172 3.538 30.827 -19.071 1.00 25.00 H new ATOM 0 HA LYS A 172 5.008 28.882 -20.559 1.00 25.00 H new ATOM 0 HB2 LYS A 172 2.887 28.518 -21.577 1.00 25.00 H new ATOM 0 HB3 LYS A 172 2.555 28.920 -19.904 1.00 25.00 H new ATOM 0 HG2 LYS A 172 2.004 31.245 -20.527 1.00 25.00 H new ATOM 0 HG3 LYS A 172 2.451 30.936 -22.193 1.00 25.00 H new ATOM 0 HD2 LYS A 172 0.619 29.302 -22.370 1.00 25.00 H new ATOM 0 HD3 LYS A 172 0.164 29.645 -20.712 1.00 25.00 H new ATOM 0 HE2 LYS A 172 -0.233 32.011 -21.293 1.00 25.00 H new ATOM 0 HE3 LYS A 172 0.262 31.699 -22.945 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -2.122 31.764 -22.742 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -1.623 30.207 -23.200 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -2.103 30.509 -21.599 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 -0.842 -1.928 0.308 1.00 0.00 CU