USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 GLN : amide:sc= -0.585 K(o=-4.4,f=-8.1!) USER MOD Set 1.2: A 71 MET CE :methyl -161:sc= -3.81 (180deg=-5.47!) USER MOD Set 2.1: A 26 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.87) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.534 (180deg=-1.24) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 130:sc= -2.33 USER MOD Single : A 46 THR OG1 : rot -126:sc= -4.6! USER MOD Single : A 51 ASN :FLIP amide:sc= -0.933 F(o=-2.3,f=-0.93) USER MOD Single : A 52 MET CE :methyl 164:sc= -2.85! (180deg=-4.91!) USER MOD Single : A 53 MET CE :methyl 158:sc= -0.167 (180deg=-0.887) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -69:sc= 0.397 USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 0.303 (180deg=-0.12) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.465 F(o=-1.2,f=-0.47) USER MOD Single : A 72 SER OG : rot 180:sc= -0.448 USER MOD Single : A 74 ASN :FLIP amide:sc= -7.92! C(o=-11!,f=-7.9!) USER MOD Single : A 76 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 77 SER OG : rot 32:sc= 0.22 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 86 CYS SG : rot 75:sc= -1.19 USER MOD Single : A 87 GLN : amide:sc= -0.59 X(o=-0.59,f=-0.38) USER MOD Single : A 88 SER OG : rot 71:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.415 K(o=-0.42,f=-2.5) USER MOD Single : A 96 GLN : amide:sc= -2.25 X(o=-2.3,f=-2.1) USER MOD Single : A 97 SER OG : rot -61:sc= -1.46 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.832 X(o=-0.83,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -1.636 -4.996 -10.649 1.00 0.00 N ATOM 17 CA PHE A 18 -0.456 -4.189 -10.358 1.00 0.00 C ATOM 18 C PHE A 18 -0.790 -2.708 -10.510 1.00 0.00 C ATOM 19 O PHE A 18 -1.648 -2.343 -11.314 1.00 0.00 O ATOM 20 CB PHE A 18 0.691 -4.573 -11.292 1.00 0.00 C ATOM 21 CG PHE A 18 1.724 -5.451 -10.646 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.718 -4.902 -9.855 1.00 0.00 C ATOM 23 CD2 PHE A 18 1.699 -6.824 -10.831 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.672 -5.706 -9.259 1.00 0.00 C ATOM 25 CE2 PHE A 18 2.650 -7.633 -10.237 1.00 0.00 C ATOM 26 CZ PHE A 18 3.637 -7.073 -9.450 1.00 0.00 C ATOM 0 HA PHE A 18 -0.143 -4.377 -9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.283 -5.086 -12.163 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.173 -3.665 -11.654 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.749 -3.833 -9.701 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.929 -7.267 -11.445 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.443 -5.265 -8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.621 -8.702 -10.388 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.380 -7.703 -8.985 1.00 0.00 H new ATOM 36 N LYS A 19 -0.138 -1.855 -9.726 1.00 0.00 N ATOM 37 CA LYS A 19 -0.417 -0.424 -9.789 1.00 0.00 C ATOM 38 C LYS A 19 0.820 0.435 -9.522 1.00 0.00 C ATOM 39 O LYS A 19 1.416 0.368 -8.446 1.00 0.00 O ATOM 40 CB LYS A 19 -1.509 -0.071 -8.777 1.00 0.00 C ATOM 41 CG LYS A 19 -2.799 0.411 -9.414 1.00 0.00 C ATOM 42 CD LYS A 19 -4.006 0.069 -8.557 1.00 0.00 C ATOM 43 CE LYS A 19 -5.240 -0.191 -9.407 1.00 0.00 C ATOM 44 NZ LYS A 19 -5.511 -1.647 -9.563 1.00 0.00 N ATOM 0 H LYS A 19 0.576 -2.124 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.748 -0.207 -10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.722 -0.948 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.134 0.702 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.751 1.490 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.911 -0.042 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.787 -0.812 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.206 0.887 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.104 0.292 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.105 0.260 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.360 -1.781 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.698 -2.104 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.665 -2.074 -8.627 1.00 0.00 H new ATOM 58 N ASP A 20 1.166 1.279 -10.493 1.00 0.00 N ATOM 59 CA ASP A 20 2.290 2.198 -10.350 1.00 0.00 C ATOM 60 C ASP A 20 1.834 3.383 -9.513 1.00 0.00 C ATOM 61 O ASP A 20 1.529 4.452 -10.040 1.00 0.00 O ATOM 62 CB ASP A 20 2.780 2.678 -11.720 1.00 0.00 C ATOM 63 CG ASP A 20 2.849 1.557 -12.741 1.00 0.00 C ATOM 64 OD1 ASP A 20 2.729 0.379 -12.341 1.00 0.00 O ATOM 65 OD2 ASP A 20 3.024 1.857 -13.940 1.00 0.00 O ATOM 0 H ASP A 20 0.682 1.344 -11.388 1.00 0.00 H new ATOM 0 HA ASP A 20 3.120 1.687 -9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.113 3.458 -12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.767 3.127 -11.612 1.00 0.00 H new ATOM 70 N VAL A 21 1.754 3.168 -8.207 1.00 0.00 N ATOM 71 CA VAL A 21 1.292 4.197 -7.293 1.00 0.00 C ATOM 72 C VAL A 21 2.273 5.350 -7.192 1.00 0.00 C ATOM 73 O VAL A 21 3.427 5.171 -6.803 1.00 0.00 O ATOM 74 CB VAL A 21 1.039 3.627 -5.888 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.408 4.680 -4.987 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.162 2.386 -5.970 1.00 0.00 C ATOM 0 H VAL A 21 2.004 2.287 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 21 0.355 4.571 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 21 1.996 3.341 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.237 4.257 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.077 5.537 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.542 5.001 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.008 1.994 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.794 2.645 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.659 1.629 -6.576 1.00 0.00 H new ATOM 86 N PHE A 22 1.790 6.537 -7.523 1.00 0.00 N ATOM 87 CA PHE A 22 2.603 7.735 -7.450 1.00 0.00 C ATOM 88 C PHE A 22 2.031 8.674 -6.398 1.00 0.00 C ATOM 89 O PHE A 22 1.018 9.334 -6.629 1.00 0.00 O ATOM 90 CB PHE A 22 2.644 8.439 -8.809 1.00 0.00 C ATOM 91 CG PHE A 22 3.971 9.070 -9.143 1.00 0.00 C ATOM 92 CD1 PHE A 22 4.995 9.137 -8.205 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.196 9.593 -10.407 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.206 9.708 -8.526 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.407 10.169 -10.728 1.00 0.00 C ATOM 96 CZ PHE A 22 6.413 10.224 -9.785 1.00 0.00 C ATOM 0 H PHE A 22 0.835 6.694 -7.846 1.00 0.00 H new ATOM 0 HA PHE A 22 3.620 7.455 -7.174 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.393 7.717 -9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.874 9.210 -8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.839 8.737 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.413 9.549 -11.150 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.994 9.751 -7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.568 10.576 -11.715 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.363 10.672 -10.035 1.00 0.00 H new ATOM 106 N ILE A 23 2.675 8.724 -5.240 1.00 0.00 N ATOM 107 CA ILE A 23 2.209 9.581 -4.161 1.00 0.00 C ATOM 108 C ILE A 23 3.013 10.868 -4.101 1.00 0.00 C ATOM 109 O ILE A 23 4.145 10.885 -3.628 1.00 0.00 O ATOM 110 CB ILE A 23 2.299 8.862 -2.804 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.702 7.456 -2.916 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.596 9.669 -1.723 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.196 7.437 -3.075 1.00 0.00 C ATOM 0 H ILE A 23 3.514 8.186 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 23 1.166 9.821 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 23 3.348 8.770 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.153 6.948 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.970 6.887 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.671 9.144 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.067 10.648 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.546 9.794 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.149 6.406 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.267 7.915 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.081 7.977 -3.981 1.00 0.00 H new ATOM 125 N GLU A 24 2.407 11.943 -4.584 1.00 0.00 N ATOM 126 CA GLU A 24 3.050 13.251 -4.594 1.00 0.00 C ATOM 127 C GLU A 24 2.626 14.061 -3.374 1.00 0.00 C ATOM 128 O GLU A 24 1.448 14.374 -3.207 1.00 0.00 O ATOM 129 CB GLU A 24 2.690 14.006 -5.876 1.00 0.00 C ATOM 130 CG GLU A 24 3.878 14.681 -6.544 1.00 0.00 C ATOM 131 CD GLU A 24 3.530 16.041 -7.115 1.00 0.00 C ATOM 132 OE1 GLU A 24 3.001 16.093 -8.246 1.00 0.00 O ATOM 133 OE2 GLU A 24 3.784 17.055 -6.432 1.00 0.00 O ATOM 0 H GLU A 24 1.466 11.936 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 24 4.130 13.107 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.235 13.310 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.939 14.761 -5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.684 14.791 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.253 14.041 -7.343 1.00 0.00 H new ATOM 140 N LYS A 25 3.587 14.396 -2.523 1.00 0.00 N ATOM 141 CA LYS A 25 3.301 15.166 -1.318 1.00 0.00 C ATOM 142 C LYS A 25 4.318 16.288 -1.132 1.00 0.00 C ATOM 143 O LYS A 25 5.139 16.547 -2.011 1.00 0.00 O ATOM 144 CB LYS A 25 3.293 14.250 -0.092 1.00 0.00 C ATOM 145 CG LYS A 25 4.608 13.520 0.138 1.00 0.00 C ATOM 146 CD LYS A 25 4.380 12.087 0.590 1.00 0.00 C ATOM 147 CE LYS A 25 5.619 11.232 0.379 1.00 0.00 C ATOM 148 NZ LYS A 25 5.515 9.920 1.075 1.00 0.00 N ATOM 0 H LYS A 25 4.569 14.148 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 25 2.314 15.616 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.058 14.843 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.495 13.516 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.193 13.523 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.193 14.051 0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.105 12.077 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.543 11.659 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.768 11.066 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.496 11.767 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.244 9.275 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.654 10.057 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.574 9.511 0.905 1.00 0.00 H new ATOM 162 N GLN A 26 4.254 16.953 0.016 1.00 0.00 N ATOM 163 CA GLN A 26 5.170 18.044 0.317 1.00 0.00 C ATOM 164 C GLN A 26 6.290 17.568 1.232 1.00 0.00 C ATOM 165 O GLN A 26 6.049 16.841 2.196 1.00 0.00 O ATOM 166 CB GLN A 26 4.417 19.204 0.972 1.00 0.00 C ATOM 167 CG GLN A 26 3.486 19.941 0.023 1.00 0.00 C ATOM 168 CD GLN A 26 2.296 19.102 -0.397 1.00 0.00 C ATOM 169 OE1 GLN A 26 2.030 18.932 -1.587 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.570 18.574 0.581 1.00 0.00 N ATOM 0 H GLN A 26 3.577 16.755 0.753 1.00 0.00 H new ATOM 0 HA GLN A 26 5.609 18.390 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.837 18.821 1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.140 19.911 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.131 20.853 0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.043 20.244 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.827 18.741 1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.755 18.002 0.359 1.00 0.00 H new ATOM 179 N LYS A 27 7.517 17.983 0.927 1.00 0.00 N ATOM 180 CA LYS A 27 8.677 17.598 1.725 1.00 0.00 C ATOM 181 C LYS A 27 8.401 17.793 3.210 1.00 0.00 C ATOM 182 O LYS A 27 8.036 18.882 3.652 1.00 0.00 O ATOM 183 CB LYS A 27 9.901 18.402 1.302 1.00 0.00 C ATOM 184 CG LYS A 27 10.624 17.804 0.107 1.00 0.00 C ATOM 185 CD LYS A 27 12.096 17.575 0.402 1.00 0.00 C ATOM 186 CE LYS A 27 12.804 16.916 -0.771 1.00 0.00 C ATOM 187 NZ LYS A 27 14.155 17.497 -1.003 1.00 0.00 N ATOM 0 H LYS A 27 7.733 18.586 0.133 1.00 0.00 H new ATOM 0 HA LYS A 27 8.876 16.540 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.594 19.420 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.593 18.468 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.156 16.859 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.523 18.469 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.575 18.527 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.197 16.948 1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.896 15.846 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.200 17.032 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.604 17.020 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.066 18.513 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.741 17.364 -0.154 1.00 0.00 H new ATOM 201 N GLY A 28 8.555 16.718 3.969 1.00 0.00 N ATOM 202 CA GLY A 28 8.295 16.764 5.390 1.00 0.00 C ATOM 203 C GLY A 28 6.980 16.092 5.735 1.00 0.00 C ATOM 204 O GLY A 28 6.473 16.234 6.847 1.00 0.00 O ATOM 0 H GLY A 28 8.858 15.808 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.107 16.273 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.274 17.801 5.724 1.00 0.00 H new ATOM 208 N GLU A 29 6.429 15.358 4.767 1.00 0.00 N ATOM 209 CA GLU A 29 5.161 14.661 4.963 1.00 0.00 C ATOM 210 C GLU A 29 5.282 13.181 4.608 1.00 0.00 C ATOM 211 O GLU A 29 5.839 12.827 3.568 1.00 0.00 O ATOM 212 CB GLU A 29 4.064 15.308 4.116 1.00 0.00 C ATOM 213 CG GLU A 29 3.731 16.731 4.531 1.00 0.00 C ATOM 214 CD GLU A 29 3.218 16.818 5.955 1.00 0.00 C ATOM 215 OE1 GLU A 29 4.049 16.820 6.887 1.00 0.00 O ATOM 216 OE2 GLU A 29 1.984 16.884 6.138 1.00 0.00 O ATOM 0 H GLU A 29 6.841 15.232 3.842 1.00 0.00 H new ATOM 0 HA GLU A 29 4.897 14.740 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.376 15.307 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.162 14.700 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.621 17.352 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.980 17.137 3.853 1.00 0.00 H new ATOM 223 N ILE A 30 4.758 12.320 5.477 1.00 0.00 N ATOM 224 CA ILE A 30 4.804 10.885 5.256 1.00 0.00 C ATOM 225 C ILE A 30 3.648 10.428 4.370 1.00 0.00 C ATOM 226 O ILE A 30 2.601 11.072 4.321 1.00 0.00 O ATOM 227 CB ILE A 30 4.757 10.117 6.589 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.418 10.350 7.281 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.910 10.536 7.487 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.679 9.071 7.623 1.00 0.00 C ATOM 0 H ILE A 30 4.296 12.597 6.343 1.00 0.00 H new ATOM 0 HA ILE A 30 5.746 10.667 4.753 1.00 0.00 H new ATOM 0 HB ILE A 30 4.859 9.051 6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.586 10.918 8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.787 10.962 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.860 9.983 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.856 10.322 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.842 11.604 7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.736 9.315 8.113 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.479 8.511 6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.290 8.466 8.293 1.00 0.00 H new ATOM 242 N LEU A 31 3.844 9.312 3.675 1.00 0.00 N ATOM 243 CA LEU A 31 2.816 8.766 2.790 1.00 0.00 C ATOM 244 C LEU A 31 1.461 8.710 3.493 1.00 0.00 C ATOM 245 O LEU A 31 0.464 9.217 2.977 1.00 0.00 O ATOM 246 CB LEU A 31 3.220 7.367 2.317 1.00 0.00 C ATOM 247 CG LEU A 31 3.100 7.134 0.810 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.190 6.186 0.330 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.723 6.589 0.464 1.00 0.00 C ATOM 0 H LEU A 31 4.705 8.766 3.706 1.00 0.00 H new ATOM 0 HA LEU A 31 2.725 9.425 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.252 7.182 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.602 6.633 2.833 1.00 0.00 H new ATOM 0 HG LEU A 31 3.228 8.089 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.090 6.031 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.168 6.617 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.094 5.230 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.655 6.429 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.565 5.643 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.960 7.304 0.774 1.00 0.00 H new ATOM 261 N GLY A 32 1.435 8.104 4.676 1.00 0.00 N ATOM 262 CA GLY A 32 0.199 8.007 5.428 1.00 0.00 C ATOM 263 C GLY A 32 -0.402 6.612 5.426 1.00 0.00 C ATOM 264 O GLY A 32 -1.449 6.386 6.031 1.00 0.00 O ATOM 0 H GLY A 32 2.246 7.680 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.384 8.313 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.526 8.707 5.013 1.00 0.00 H new ATOM 268 N VAL A 33 0.252 5.672 4.748 1.00 0.00 N ATOM 269 CA VAL A 33 -0.248 4.301 4.687 1.00 0.00 C ATOM 270 C VAL A 33 0.389 3.426 5.753 1.00 0.00 C ATOM 271 O VAL A 33 1.613 3.359 5.870 1.00 0.00 O ATOM 272 CB VAL A 33 0.002 3.647 3.314 1.00 0.00 C ATOM 273 CG1 VAL A 33 -1.046 4.092 2.309 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.406 3.955 2.813 1.00 0.00 C ATOM 0 H VAL A 33 1.121 5.832 4.238 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.322 4.373 4.858 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.080 2.566 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.851 3.619 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.035 3.802 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.005 5.175 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.558 3.482 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.529 5.034 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.138 3.570 3.523 1.00 0.00 H new ATOM 284 N VAL A 34 -0.451 2.741 6.517 1.00 0.00 N ATOM 285 CA VAL A 34 0.024 1.847 7.561 1.00 0.00 C ATOM 286 C VAL A 34 -0.024 0.409 7.065 1.00 0.00 C ATOM 287 O VAL A 34 -1.079 -0.226 7.075 1.00 0.00 O ATOM 288 CB VAL A 34 -0.820 1.967 8.846 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.035 1.457 10.045 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.266 3.407 9.067 1.00 0.00 C ATOM 0 H VAL A 34 -1.466 2.788 6.432 1.00 0.00 H new ATOM 0 HA VAL A 34 1.049 2.132 7.799 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.712 1.351 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.644 1.548 10.944 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.228 0.411 9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.875 2.046 10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.860 3.468 9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.390 4.049 9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.868 3.736 8.220 1.00 0.00 H new ATOM 300 N ILE A 35 1.117 -0.098 6.613 1.00 0.00 N ATOM 301 CA ILE A 35 1.173 -1.459 6.099 1.00 0.00 C ATOM 302 C ILE A 35 1.661 -2.446 7.152 1.00 0.00 C ATOM 303 O ILE A 35 2.313 -2.070 8.125 1.00 0.00 O ATOM 304 CB ILE A 35 2.065 -1.579 4.845 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.450 -0.964 5.073 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.387 -0.921 3.654 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.333 -1.750 6.018 1.00 0.00 C ATOM 0 H ILE A 35 2.004 0.405 6.592 1.00 0.00 H new ATOM 0 HA ILE A 35 0.148 -1.708 5.823 1.00 0.00 H new ATOM 0 HB ILE A 35 2.205 -2.640 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.957 -0.873 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.326 0.045 5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.026 -1.012 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.433 -1.412 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.215 0.134 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.293 -1.245 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.851 -1.820 6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.491 -2.752 5.619 1.00 0.00 H new ATOM 319 N VAL A 36 1.336 -3.715 6.937 1.00 0.00 N ATOM 320 CA VAL A 36 1.732 -4.781 7.845 1.00 0.00 C ATOM 321 C VAL A 36 2.140 -6.023 7.061 1.00 0.00 C ATOM 322 O VAL A 36 1.746 -6.193 5.909 1.00 0.00 O ATOM 323 CB VAL A 36 0.591 -5.148 8.814 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.462 -4.098 9.906 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.720 -5.309 8.060 1.00 0.00 C ATOM 0 H VAL A 36 0.794 -4.031 6.133 1.00 0.00 H new ATOM 0 HA VAL A 36 2.580 -4.416 8.425 1.00 0.00 H new ATOM 0 HB VAL A 36 0.830 -6.102 9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.348 -4.373 10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.396 -4.038 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.246 -3.129 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.513 -5.568 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.969 -4.373 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.618 -6.101 7.318 1.00 0.00 H new ATOM 335 N GLU A 37 2.932 -6.888 7.682 1.00 0.00 N ATOM 336 CA GLU A 37 3.385 -8.109 7.023 1.00 0.00 C ATOM 337 C GLU A 37 2.198 -8.969 6.594 1.00 0.00 C ATOM 338 O GLU A 37 1.383 -9.376 7.421 1.00 0.00 O ATOM 339 CB GLU A 37 4.298 -8.908 7.953 1.00 0.00 C ATOM 340 CG GLU A 37 5.326 -9.755 7.220 1.00 0.00 C ATOM 341 CD GLU A 37 5.370 -11.184 7.724 1.00 0.00 C ATOM 342 OE1 GLU A 37 5.492 -11.377 8.952 1.00 0.00 O ATOM 343 OE2 GLU A 37 5.284 -12.110 6.891 1.00 0.00 O ATOM 0 H GLU A 37 3.273 -6.769 8.636 1.00 0.00 H new ATOM 0 HA GLU A 37 3.945 -7.824 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.817 -8.218 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.686 -9.557 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.097 -9.756 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.311 -9.303 7.334 1.00 0.00 H new ATOM 350 N SER A 38 2.108 -9.242 5.294 1.00 0.00 N ATOM 351 CA SER A 38 1.020 -10.054 4.754 1.00 0.00 C ATOM 352 C SER A 38 0.989 -11.431 5.409 1.00 0.00 C ATOM 353 O SER A 38 2.025 -11.963 5.809 1.00 0.00 O ATOM 354 CB SER A 38 1.162 -10.195 3.238 1.00 0.00 C ATOM 355 OG SER A 38 1.987 -11.297 2.901 1.00 0.00 O ATOM 0 H SER A 38 2.775 -8.913 4.596 1.00 0.00 H new ATOM 0 HA SER A 38 0.080 -9.549 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.177 -10.323 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.585 -9.280 2.823 1.00 0.00 H new ATOM 0 HG SER A 38 1.533 -11.853 2.234 1.00 0.00 H new ATOM 448 N PRO A 45 4.447 -12.506 -0.110 1.00 0.00 N ATOM 449 CA PRO A 45 4.221 -11.679 1.080 1.00 0.00 C ATOM 450 C PRO A 45 5.223 -10.534 1.192 1.00 0.00 C ATOM 451 O PRO A 45 6.414 -10.713 0.934 1.00 0.00 O ATOM 452 CB PRO A 45 4.398 -12.659 2.243 1.00 0.00 C ATOM 453 CG PRO A 45 5.226 -13.767 1.690 1.00 0.00 C ATOM 454 CD PRO A 45 4.843 -13.881 0.241 1.00 0.00 C ATOM 0 HA PRO A 45 3.242 -11.200 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.892 -12.182 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.436 -13.026 2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.289 -13.552 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.034 -14.700 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.676 -14.229 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.025 -14.586 0.095 1.00 0.00 H new ATOM 462 N THR A 46 4.733 -9.359 1.574 1.00 0.00 N ATOM 463 CA THR A 46 5.590 -8.187 1.719 1.00 0.00 C ATOM 464 C THR A 46 4.984 -7.174 2.691 1.00 0.00 C ATOM 465 O THR A 46 5.524 -6.947 3.773 1.00 0.00 O ATOM 466 CB THR A 46 5.850 -7.536 0.352 1.00 0.00 C ATOM 467 OG1 THR A 46 5.993 -6.128 0.477 1.00 0.00 O ATOM 468 CG2 THR A 46 4.760 -7.803 -0.668 1.00 0.00 C ATOM 0 H THR A 46 3.750 -9.193 1.788 1.00 0.00 H new ATOM 0 HA THR A 46 6.543 -8.518 2.133 1.00 0.00 H new ATOM 0 HB THR A 46 6.772 -7.994 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.366 -5.680 -0.129 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.013 -7.312 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.671 -8.877 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.812 -7.412 -0.298 1.00 0.00 H new ATOM 476 N VAL A 47 3.866 -6.564 2.304 1.00 0.00 N ATOM 477 CA VAL A 47 3.207 -5.577 3.155 1.00 0.00 C ATOM 478 C VAL A 47 1.748 -5.368 2.764 1.00 0.00 C ATOM 479 O VAL A 47 1.382 -5.476 1.593 1.00 0.00 O ATOM 480 CB VAL A 47 3.934 -4.221 3.106 1.00 0.00 C ATOM 481 CG1 VAL A 47 5.119 -4.220 4.058 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.379 -3.898 1.690 1.00 0.00 C ATOM 0 H VAL A 47 3.400 -6.734 1.413 1.00 0.00 H new ATOM 0 HA VAL A 47 3.246 -5.975 4.169 1.00 0.00 H new ATOM 0 HB VAL A 47 3.237 -3.446 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.622 -3.254 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.769 -4.398 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.817 -5.007 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.890 -2.935 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.058 -4.673 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.508 -3.853 1.036 1.00 0.00 H new ATOM 492 N ILE A 48 0.920 -5.063 3.760 1.00 0.00 N ATOM 493 CA ILE A 48 -0.506 -4.827 3.541 1.00 0.00 C ATOM 494 C ILE A 48 -0.923 -3.479 4.106 1.00 0.00 C ATOM 495 O ILE A 48 -0.858 -3.279 5.314 1.00 0.00 O ATOM 496 CB ILE A 48 -1.409 -5.885 4.220 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.656 -7.177 4.546 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.621 -6.175 3.356 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.852 -7.613 5.984 1.00 0.00 C ATOM 0 H ILE A 48 1.214 -4.973 4.733 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.638 -4.874 2.460 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.739 -5.465 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.995 -7.970 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.407 -7.033 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.247 -6.921 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.193 -5.258 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.295 -6.555 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.297 -8.534 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.488 -6.834 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.912 -7.785 6.171 1.00 0.00 H new ATOM 511 N ILE A 49 -1.389 -2.577 3.247 1.00 0.00 N ATOM 512 CA ILE A 49 -1.852 -1.274 3.706 1.00 0.00 C ATOM 513 C ILE A 49 -3.034 -1.463 4.648 1.00 0.00 C ATOM 514 O ILE A 49 -4.184 -1.229 4.278 1.00 0.00 O ATOM 515 CB ILE A 49 -2.280 -0.372 2.533 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.109 -0.147 1.577 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.817 0.962 3.042 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.540 0.269 0.189 1.00 0.00 C ATOM 0 H ILE A 49 -1.455 -2.723 2.240 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.024 -0.787 4.221 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.080 -0.876 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.453 0.619 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.524 -1.064 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.113 1.582 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.681 0.786 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.041 1.473 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.660 0.412 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.172 -0.507 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.100 1.202 0.246 1.00 0.00 H new ATOM 530 N ALA A 50 -2.746 -1.912 5.863 1.00 0.00 N ATOM 531 CA ALA A 50 -3.785 -2.154 6.846 1.00 0.00 C ATOM 532 C ALA A 50 -4.590 -0.883 7.102 1.00 0.00 C ATOM 533 O ALA A 50 -5.767 -0.941 7.454 1.00 0.00 O ATOM 534 CB ALA A 50 -3.179 -2.683 8.137 1.00 0.00 C ATOM 0 H ALA A 50 -1.801 -2.115 6.188 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.465 -2.910 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.971 -2.860 8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.655 -3.618 7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.476 -1.951 8.536 1.00 0.00 H new ATOM 540 N ASN A 51 -3.943 0.265 6.909 1.00 0.00 N ATOM 541 CA ASN A 51 -4.595 1.556 7.105 1.00 0.00 C ATOM 542 C ASN A 51 -4.033 2.601 6.153 1.00 0.00 C ATOM 543 O ASN A 51 -3.115 2.330 5.381 1.00 0.00 O ATOM 544 CB ASN A 51 -4.427 2.035 8.548 1.00 0.00 C ATOM 545 CG ASN A 51 -5.104 1.117 9.542 1.00 0.00 C ATOM 546 OD1 ASN A 51 -6.354 0.780 9.265 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -4.512 0.717 10.544 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.968 0.326 6.617 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.656 1.424 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.365 2.102 8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.840 3.039 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.548 1.004 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.985 0.099 11.203 1.00 0.00 H new ATOM 554 N MET A 52 -4.599 3.799 6.217 1.00 0.00 N ATOM 555 CA MET A 52 -4.169 4.895 5.362 1.00 0.00 C ATOM 556 C MET A 52 -4.837 6.202 5.784 1.00 0.00 C ATOM 557 O MET A 52 -6.056 6.265 5.940 1.00 0.00 O ATOM 558 CB MET A 52 -4.490 4.579 3.906 1.00 0.00 C ATOM 559 CG MET A 52 -4.249 5.746 2.957 1.00 0.00 C ATOM 560 SD MET A 52 -4.729 5.372 1.261 1.00 0.00 S ATOM 561 CE MET A 52 -6.132 4.299 1.547 1.00 0.00 C ATOM 0 H MET A 52 -5.359 4.036 6.855 1.00 0.00 H new ATOM 0 HA MET A 52 -3.091 5.015 5.466 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.884 3.731 3.586 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.533 4.272 3.832 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.808 6.614 3.306 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.193 6.016 2.981 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.713 4.207 0.629 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.780 3.314 1.854 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.759 4.721 2.333 1.00 0.00 H new ATOM 571 N MET A 53 -4.028 7.240 5.975 1.00 0.00 N ATOM 572 CA MET A 53 -4.536 8.546 6.387 1.00 0.00 C ATOM 573 C MET A 53 -5.638 9.031 5.449 1.00 0.00 C ATOM 574 O MET A 53 -5.527 8.914 4.229 1.00 0.00 O ATOM 575 CB MET A 53 -3.399 9.566 6.429 1.00 0.00 C ATOM 576 CG MET A 53 -3.410 10.438 7.675 1.00 0.00 C ATOM 577 SD MET A 53 -3.015 9.515 9.171 1.00 0.00 S ATOM 578 CE MET A 53 -1.338 8.998 8.817 1.00 0.00 C ATOM 0 H MET A 53 -3.016 7.203 5.851 1.00 0.00 H new ATOM 0 HA MET A 53 -4.961 8.441 7.385 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.447 9.039 6.373 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.462 10.205 5.548 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.692 11.249 7.553 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.393 10.896 7.784 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.823 8.771 9.750 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.357 8.109 8.187 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.812 9.799 8.298 1.00 0.00 H new ATOM 588 N HIS A 54 -6.701 9.581 6.029 1.00 0.00 N ATOM 589 CA HIS A 54 -7.823 10.090 5.250 1.00 0.00 C ATOM 590 C HIS A 54 -7.485 11.446 4.639 1.00 0.00 C ATOM 591 O HIS A 54 -7.660 12.485 5.272 1.00 0.00 O ATOM 592 CB HIS A 54 -9.070 10.209 6.127 1.00 0.00 C ATOM 593 CG HIS A 54 -10.351 10.020 5.377 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.379 9.218 5.831 1.00 0.00 N ATOM 595 CD2 HIS A 54 -10.771 10.532 4.196 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.374 9.247 4.962 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.031 10.037 3.962 1.00 0.00 N ATOM 0 H HIS A 54 -6.808 9.685 7.038 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.024 9.385 4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.014 9.469 6.926 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.078 11.190 6.601 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.218 11.205 3.557 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.309 8.715 5.054 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.608 10.246 3.147 1.00 0.00 H new ATOM 606 N GLY A 55 -6.997 11.426 3.403 1.00 0.00 N ATOM 607 CA GLY A 55 -6.637 12.658 2.727 1.00 0.00 C ATOM 608 C GLY A 55 -5.139 12.805 2.544 1.00 0.00 C ATOM 609 O GLY A 55 -4.683 13.612 1.733 1.00 0.00 O ATOM 0 H GLY A 55 -6.844 10.578 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.123 12.689 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.015 13.506 3.299 1.00 0.00 H new ATOM 613 N GLY A 56 -4.370 12.025 3.299 1.00 0.00 N ATOM 614 CA GLY A 56 -2.923 12.090 3.200 1.00 0.00 C ATOM 615 C GLY A 56 -2.418 11.765 1.807 1.00 0.00 C ATOM 616 O GLY A 56 -3.209 11.472 0.910 1.00 0.00 O ATOM 0 H GLY A 56 -4.723 11.350 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.588 13.089 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.482 11.394 3.914 1.00 0.00 H new ATOM 620 N PRO A 57 -1.092 11.814 1.593 1.00 0.00 N ATOM 621 CA PRO A 57 -0.486 11.523 0.287 1.00 0.00 C ATOM 622 C PRO A 57 -1.002 10.229 -0.333 1.00 0.00 C ATOM 623 O PRO A 57 -1.400 10.206 -1.497 1.00 0.00 O ATOM 624 CB PRO A 57 1.002 11.408 0.614 1.00 0.00 C ATOM 625 CG PRO A 57 1.190 12.281 1.805 1.00 0.00 C ATOM 626 CD PRO A 57 -0.076 12.159 2.606 1.00 0.00 C ATOM 0 HA PRO A 57 -0.722 12.291 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.283 10.377 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.619 11.738 -0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.054 11.965 2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.367 13.315 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.006 11.387 3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.319 13.090 3.117 1.00 0.00 H new ATOM 634 N ALA A 58 -0.984 9.148 0.442 1.00 0.00 N ATOM 635 CA ALA A 58 -1.443 7.857 -0.046 1.00 0.00 C ATOM 636 C ALA A 58 -2.890 7.927 -0.517 1.00 0.00 C ATOM 637 O ALA A 58 -3.216 7.482 -1.616 1.00 0.00 O ATOM 638 CB ALA A 58 -1.285 6.794 1.030 1.00 0.00 C ATOM 0 H ALA A 58 -0.657 9.143 1.408 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.825 7.584 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.633 5.835 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.235 6.713 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.874 7.071 1.905 1.00 0.00 H new ATOM 644 N GLU A 59 -3.754 8.495 0.317 1.00 0.00 N ATOM 645 CA GLU A 59 -5.161 8.629 -0.024 1.00 0.00 C ATOM 646 C GLU A 59 -5.353 9.685 -1.109 1.00 0.00 C ATOM 647 O GLU A 59 -6.353 9.682 -1.827 1.00 0.00 O ATOM 648 CB GLU A 59 -5.975 8.990 1.218 1.00 0.00 C ATOM 649 CG GLU A 59 -7.450 9.214 0.934 1.00 0.00 C ATOM 650 CD GLU A 59 -8.350 8.310 1.753 1.00 0.00 C ATOM 651 OE1 GLU A 59 -7.908 7.847 2.827 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.497 8.064 1.324 1.00 0.00 O ATOM 0 H GLU A 59 -3.503 8.869 1.232 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.515 7.673 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.872 8.193 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.559 9.892 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.701 10.254 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.641 9.045 -0.126 1.00 0.00 H new ATOM 659 N LYS A 60 -4.384 10.584 -1.219 1.00 0.00 N ATOM 660 CA LYS A 60 -4.432 11.646 -2.209 1.00 0.00 C ATOM 661 C LYS A 60 -4.345 11.072 -3.620 1.00 0.00 C ATOM 662 O LYS A 60 -5.140 11.421 -4.492 1.00 0.00 O ATOM 663 CB LYS A 60 -3.298 12.647 -1.973 1.00 0.00 C ATOM 664 CG LYS A 60 -3.725 13.861 -1.163 1.00 0.00 C ATOM 665 CD LYS A 60 -2.575 14.413 -0.338 1.00 0.00 C ATOM 666 CE LYS A 60 -1.588 15.187 -1.200 1.00 0.00 C ATOM 667 NZ LYS A 60 -1.213 16.489 -0.582 1.00 0.00 N ATOM 0 H LYS A 60 -3.551 10.597 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.385 12.166 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.480 12.144 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.910 12.980 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.097 14.635 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.549 13.588 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.967 15.065 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.058 13.593 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.691 14.586 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.025 15.364 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.540 16.985 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.065 17.073 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.772 16.319 0.345 1.00 0.00 H new ATOM 681 N SER A 61 -3.376 10.185 -3.834 1.00 0.00 N ATOM 682 CA SER A 61 -3.185 9.555 -5.132 1.00 0.00 C ATOM 683 C SER A 61 -4.473 8.894 -5.612 1.00 0.00 C ATOM 684 O SER A 61 -4.839 9.001 -6.782 1.00 0.00 O ATOM 685 CB SER A 61 -2.064 8.516 -5.055 1.00 0.00 C ATOM 686 OG SER A 61 -2.535 7.296 -4.508 1.00 0.00 O ATOM 0 H SER A 61 -2.710 9.888 -3.121 1.00 0.00 H new ATOM 0 HA SER A 61 -2.908 10.329 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.659 8.339 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.248 8.901 -4.443 1.00 0.00 H new ATOM 0 HG SER A 61 -2.740 7.421 -3.558 1.00 0.00 H new ATOM 692 N GLY A 62 -5.153 8.207 -4.702 1.00 0.00 N ATOM 693 CA GLY A 62 -6.389 7.533 -5.052 1.00 0.00 C ATOM 694 C GLY A 62 -6.162 6.104 -5.507 1.00 0.00 C ATOM 695 O GLY A 62 -7.111 5.340 -5.678 1.00 0.00 O ATOM 0 H GLY A 62 -4.870 8.105 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.057 7.535 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.890 8.088 -5.845 1.00 0.00 H new ATOM 699 N LYS A 63 -4.896 5.742 -5.705 1.00 0.00 N ATOM 700 CA LYS A 63 -4.544 4.399 -6.142 1.00 0.00 C ATOM 701 C LYS A 63 -4.519 3.430 -4.969 1.00 0.00 C ATOM 702 O LYS A 63 -5.233 2.427 -4.960 1.00 0.00 O ATOM 703 CB LYS A 63 -3.175 4.402 -6.823 1.00 0.00 C ATOM 704 CG LYS A 63 -3.136 5.208 -8.110 1.00 0.00 C ATOM 705 CD LYS A 63 -2.618 6.615 -7.874 1.00 0.00 C ATOM 706 CE LYS A 63 -3.329 7.616 -8.766 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.717 8.973 -8.685 1.00 0.00 N ATOM 0 H LYS A 63 -4.098 6.363 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.304 4.072 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.435 4.804 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.884 3.374 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.500 4.703 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.136 5.256 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.762 6.888 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.546 6.648 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.299 7.266 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.379 7.675 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.828 9.459 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.190 9.523 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.705 8.885 -8.461 1.00 0.00 H new ATOM 721 N LEU A 64 -3.679 3.731 -3.984 1.00 0.00 N ATOM 722 CA LEU A 64 -3.545 2.882 -2.808 1.00 0.00 C ATOM 723 C LEU A 64 -4.797 2.917 -1.944 1.00 0.00 C ATOM 724 O LEU A 64 -5.293 3.986 -1.586 1.00 0.00 O ATOM 725 CB LEU A 64 -2.333 3.306 -1.976 1.00 0.00 C ATOM 726 CG LEU A 64 -0.986 2.770 -2.463 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.112 3.088 -1.457 1.00 0.00 C ATOM 728 CD2 LEU A 64 -1.060 1.269 -2.716 1.00 0.00 C ATOM 0 H LEU A 64 -3.081 4.557 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.403 1.860 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.287 4.395 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.486 2.978 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.745 3.263 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.063 2.699 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.187 4.168 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.127 2.625 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.091 0.910 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.328 0.757 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.814 1.065 -3.476 1.00 0.00 H new ATOM 740 N ASN A 65 -5.289 1.735 -1.604 1.00 0.00 N ATOM 741 CA ASN A 65 -6.476 1.601 -0.769 1.00 0.00 C ATOM 742 C ASN A 65 -6.238 0.553 0.313 1.00 0.00 C ATOM 743 O ASN A 65 -5.704 -0.521 0.033 1.00 0.00 O ATOM 744 CB ASN A 65 -7.691 1.213 -1.615 1.00 0.00 C ATOM 745 CG ASN A 65 -7.695 1.880 -2.978 1.00 0.00 C ATOM 746 OD1 ASN A 65 -7.284 1.138 -4.000 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -8.062 3.047 -3.108 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.881 0.847 -1.896 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.676 2.563 -0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.707 0.131 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.602 1.483 -1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.370 3.579 -2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.059 3.483 -4.030 1.00 0.00 H new ATOM 754 N ILE A 66 -6.631 0.872 1.547 1.00 0.00 N ATOM 755 CA ILE A 66 -6.457 -0.041 2.675 1.00 0.00 C ATOM 756 C ILE A 66 -6.666 -1.497 2.255 1.00 0.00 C ATOM 757 O ILE A 66 -7.783 -1.916 1.953 1.00 0.00 O ATOM 758 CB ILE A 66 -7.415 0.319 3.826 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.886 1.555 4.549 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.569 -0.846 4.797 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.669 1.910 5.785 1.00 0.00 C ATOM 0 H ILE A 66 -7.073 1.759 1.790 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.430 0.068 3.025 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.401 0.533 3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.845 1.387 4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.902 2.402 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.251 -0.563 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.970 -1.710 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.596 -1.098 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.237 2.798 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.706 2.110 5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.632 1.080 6.490 1.00 0.00 H new ATOM 773 N GLY A 67 -5.574 -2.252 2.225 1.00 0.00 N ATOM 774 CA GLY A 67 -5.636 -3.645 1.825 1.00 0.00 C ATOM 775 C GLY A 67 -4.824 -3.919 0.572 1.00 0.00 C ATOM 776 O GLY A 67 -4.762 -5.053 0.099 1.00 0.00 O ATOM 0 H GLY A 67 -4.641 -1.921 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.269 -4.271 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.675 -3.925 1.651 1.00 0.00 H new ATOM 780 N ASP A 68 -4.198 -2.872 0.034 1.00 0.00 N ATOM 781 CA ASP A 68 -3.384 -2.995 -1.168 1.00 0.00 C ATOM 782 C ASP A 68 -2.048 -3.658 -0.849 1.00 0.00 C ATOM 783 O ASP A 68 -1.264 -3.144 -0.050 1.00 0.00 O ATOM 784 CB ASP A 68 -3.168 -1.620 -1.796 1.00 0.00 C ATOM 785 CG ASP A 68 -4.186 -1.319 -2.880 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.759 -2.277 -3.438 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.409 -0.125 -3.170 1.00 0.00 O ATOM 0 H ASP A 68 -4.242 -1.927 0.416 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.911 -3.627 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.228 -0.855 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.164 -1.569 -2.218 1.00 0.00 H new ATOM 792 N GLN A 69 -1.802 -4.808 -1.470 1.00 0.00 N ATOM 793 CA GLN A 69 -0.567 -5.550 -1.244 1.00 0.00 C ATOM 794 C GLN A 69 0.611 -4.878 -1.939 1.00 0.00 C ATOM 795 O GLN A 69 0.980 -5.247 -3.055 1.00 0.00 O ATOM 796 CB GLN A 69 -0.715 -6.988 -1.741 1.00 0.00 C ATOM 797 CG GLN A 69 0.231 -7.965 -1.064 1.00 0.00 C ATOM 798 CD GLN A 69 0.545 -9.168 -1.932 1.00 0.00 C ATOM 799 OE1 GLN A 69 0.136 -9.234 -3.091 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.274 -10.127 -1.374 1.00 0.00 N ATOM 0 H GLN A 69 -2.442 -5.246 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.372 -5.560 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.741 -7.316 -1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.540 -7.012 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.159 -7.451 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.211 -8.303 -0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.592 -10.030 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.516 -10.961 -1.910 1.00 0.00 H new ATOM 809 N ILE A 70 1.201 -3.893 -1.271 1.00 0.00 N ATOM 810 CA ILE A 70 2.342 -3.171 -1.821 1.00 0.00 C ATOM 811 C ILE A 70 3.528 -4.106 -2.035 1.00 0.00 C ATOM 812 O ILE A 70 3.747 -5.029 -1.252 1.00 0.00 O ATOM 813 CB ILE A 70 2.771 -2.013 -0.901 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.534 -1.267 -0.370 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.710 -1.068 -1.642 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.812 0.161 0.054 1.00 0.00 C ATOM 0 H ILE A 70 0.908 -3.576 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 70 2.027 -2.761 -2.781 1.00 0.00 H new ATOM 0 HB ILE A 70 3.311 -2.421 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.765 -1.263 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.129 -1.815 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.005 -0.254 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.597 -1.614 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.200 -0.659 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.891 0.619 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.557 0.166 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.188 0.727 -0.798 1.00 0.00 H new ATOM 828 N MET A 71 4.287 -3.870 -3.103 1.00 0.00 N ATOM 829 CA MET A 71 5.443 -4.706 -3.412 1.00 0.00 C ATOM 830 C MET A 71 6.758 -3.961 -3.199 1.00 0.00 C ATOM 831 O MET A 71 7.716 -4.526 -2.673 1.00 0.00 O ATOM 832 CB MET A 71 5.369 -5.210 -4.855 1.00 0.00 C ATOM 833 CG MET A 71 4.146 -6.064 -5.143 1.00 0.00 C ATOM 834 SD MET A 71 4.397 -7.799 -4.723 1.00 0.00 S ATOM 835 CE MET A 71 3.302 -7.971 -3.316 1.00 0.00 C ATOM 0 H MET A 71 4.123 -3.111 -3.765 1.00 0.00 H new ATOM 0 HA MET A 71 5.418 -5.553 -2.727 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.370 -4.354 -5.530 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.266 -5.790 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.297 -5.677 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.892 -5.983 -6.200 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.583 -8.854 -2.742 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.381 -7.087 -2.683 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.275 -8.076 -3.665 1.00 0.00 H new ATOM 845 N SER A 72 6.809 -2.697 -3.614 1.00 0.00 N ATOM 846 CA SER A 72 8.030 -1.909 -3.462 1.00 0.00 C ATOM 847 C SER A 72 7.734 -0.415 -3.487 1.00 0.00 C ATOM 848 O SER A 72 6.706 0.014 -4.010 1.00 0.00 O ATOM 849 CB SER A 72 9.024 -2.262 -4.569 1.00 0.00 C ATOM 850 OG SER A 72 8.739 -3.534 -5.125 1.00 0.00 O ATOM 0 H SER A 72 6.032 -2.202 -4.052 1.00 0.00 H new ATOM 0 HA SER A 72 8.466 -2.151 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.987 -1.503 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.037 -2.256 -4.167 1.00 0.00 H new ATOM 0 HG SER A 72 9.388 -3.735 -5.831 1.00 0.00 H new ATOM 856 N ILE A 73 8.642 0.375 -2.917 1.00 0.00 N ATOM 857 CA ILE A 73 8.478 1.823 -2.872 1.00 0.00 C ATOM 858 C ILE A 73 9.609 2.540 -3.604 1.00 0.00 C ATOM 859 O ILE A 73 10.778 2.426 -3.233 1.00 0.00 O ATOM 860 CB ILE A 73 8.403 2.328 -1.422 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.268 1.621 -0.685 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.203 3.838 -1.388 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.597 1.300 0.749 1.00 0.00 C ATOM 0 H ILE A 73 9.499 0.035 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 73 7.539 2.050 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 73 9.345 2.100 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.378 2.250 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.023 0.698 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.153 4.175 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.039 4.327 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.274 4.094 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.748 0.799 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.468 0.646 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.813 2.222 1.288 1.00 0.00 H new ATOM 875 N ASN A 74 9.245 3.278 -4.650 1.00 0.00 N ATOM 876 CA ASN A 74 10.207 4.028 -5.462 1.00 0.00 C ATOM 877 C ASN A 74 11.469 3.215 -5.743 1.00 0.00 C ATOM 878 O ASN A 74 12.558 3.771 -5.877 1.00 0.00 O ATOM 879 CB ASN A 74 10.579 5.346 -4.783 1.00 0.00 C ATOM 880 CG ASN A 74 11.005 5.156 -3.346 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.163 5.595 -2.425 1.00 0.00 O flip ATOM 882 ND2 ASN A 74 12.077 4.619 -3.068 1.00 0.00 N flip ATOM 0 H ASN A 74 8.278 3.375 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 74 9.723 4.241 -6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.387 5.822 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.726 6.023 -4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.694 4.296 -3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.348 4.497 -2.092 1.00 0.00 H new ATOM 889 N GLY A 75 11.315 1.899 -5.836 1.00 0.00 N ATOM 890 CA GLY A 75 12.454 1.038 -6.104 1.00 0.00 C ATOM 891 C GLY A 75 12.940 0.299 -4.871 1.00 0.00 C ATOM 892 O GLY A 75 14.040 -0.254 -4.869 1.00 0.00 O ATOM 0 H GLY A 75 10.424 1.413 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.182 0.314 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.270 1.638 -6.506 1.00 0.00 H new ATOM 896 N THR A 76 12.122 0.283 -3.823 1.00 0.00 N ATOM 897 CA THR A 76 12.480 -0.400 -2.587 1.00 0.00 C ATOM 898 C THR A 76 11.594 -1.621 -2.373 1.00 0.00 C ATOM 899 O THR A 76 10.485 -1.512 -1.849 1.00 0.00 O ATOM 900 CB THR A 76 12.352 0.550 -1.401 1.00 0.00 C ATOM 901 OG1 THR A 76 12.892 1.822 -1.715 1.00 0.00 O ATOM 902 CG2 THR A 76 13.048 0.050 -0.153 1.00 0.00 C ATOM 0 H THR A 76 11.208 0.735 -3.806 1.00 0.00 H new ATOM 0 HA THR A 76 13.516 -0.730 -2.666 1.00 0.00 H new ATOM 0 HB THR A 76 11.283 0.614 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.224 2.350 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.917 0.774 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.618 -0.906 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.111 -0.078 -0.356 1.00 0.00 H new ATOM 910 N SER A 77 12.089 -2.783 -2.787 1.00 0.00 N ATOM 911 CA SER A 77 11.339 -4.027 -2.647 1.00 0.00 C ATOM 912 C SER A 77 10.991 -4.301 -1.190 1.00 0.00 C ATOM 913 O SER A 77 11.865 -4.310 -0.322 1.00 0.00 O ATOM 914 CB SER A 77 12.143 -5.195 -3.222 1.00 0.00 C ATOM 915 OG SER A 77 13.335 -5.406 -2.484 1.00 0.00 O ATOM 0 H SER A 77 13.005 -2.890 -3.222 1.00 0.00 H new ATOM 0 HA SER A 77 10.408 -3.923 -3.204 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.537 -6.101 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.388 -4.994 -4.265 1.00 0.00 H new ATOM 0 HG SER A 77 13.185 -5.167 -1.545 1.00 0.00 H new ATOM 921 N LEU A 78 9.709 -4.529 -0.929 1.00 0.00 N ATOM 922 CA LEU A 78 9.240 -4.809 0.422 1.00 0.00 C ATOM 923 C LEU A 78 9.090 -6.311 0.655 1.00 0.00 C ATOM 924 O LEU A 78 8.610 -6.739 1.704 1.00 0.00 O ATOM 925 CB LEU A 78 7.905 -4.108 0.674 1.00 0.00 C ATOM 926 CG LEU A 78 7.998 -2.592 0.852 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.642 -2.015 1.221 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.033 -2.246 1.911 1.00 0.00 C ATOM 0 H LEU A 78 8.975 -4.525 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 78 9.985 -4.428 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.236 -4.321 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.449 -4.537 1.566 1.00 0.00 H new ATOM 0 HG LEU A 78 8.312 -2.151 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.727 -0.935 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.925 -2.235 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.299 -2.460 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.088 -1.163 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.747 -2.698 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.007 -2.628 1.606 1.00 0.00 H new ATOM 940 N VAL A 79 9.505 -7.108 -0.327 1.00 0.00 N ATOM 941 CA VAL A 79 9.416 -8.558 -0.222 1.00 0.00 C ATOM 942 C VAL A 79 10.670 -9.135 0.427 1.00 0.00 C ATOM 943 O VAL A 79 11.789 -8.830 0.014 1.00 0.00 O ATOM 944 CB VAL A 79 9.225 -9.215 -1.601 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.814 -10.670 -1.446 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.202 -8.449 -2.428 1.00 0.00 C ATOM 0 H VAL A 79 9.906 -6.772 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 79 8.547 -8.776 0.399 1.00 0.00 H new ATOM 0 HB VAL A 79 10.178 -9.183 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.684 -11.118 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.588 -11.211 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.875 -10.726 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.084 -8.932 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.245 -8.442 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.544 -7.424 -2.572 1.00 0.00 H new ATOM 956 N GLY A 80 10.476 -9.972 1.438 1.00 0.00 N ATOM 957 CA GLY A 80 11.606 -10.578 2.120 1.00 0.00 C ATOM 958 C GLY A 80 12.013 -9.822 3.369 1.00 0.00 C ATOM 959 O GLY A 80 12.640 -10.389 4.265 1.00 0.00 O ATOM 0 H GLY A 80 9.561 -10.242 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.355 -11.604 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.454 -10.625 1.437 1.00 0.00 H new ATOM 963 N LEU A 81 11.660 -8.542 3.436 1.00 0.00 N ATOM 964 CA LEU A 81 12.003 -7.722 4.595 1.00 0.00 C ATOM 965 C LEU A 81 10.850 -7.686 5.596 1.00 0.00 C ATOM 966 O LEU A 81 9.681 -7.680 5.209 1.00 0.00 O ATOM 967 CB LEU A 81 12.376 -6.297 4.171 1.00 0.00 C ATOM 968 CG LEU A 81 11.615 -5.745 2.962 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.541 -4.228 3.030 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.282 -6.190 1.668 1.00 0.00 C ATOM 0 H LEU A 81 11.140 -8.052 2.708 1.00 0.00 H new ATOM 0 HA LEU A 81 12.869 -8.177 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.210 -5.630 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.443 -6.271 3.949 1.00 0.00 H new ATOM 0 HG LEU A 81 10.599 -6.140 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.997 -3.851 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.023 -3.929 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.549 -3.814 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.730 -5.790 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.307 -5.820 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.287 -7.279 1.617 1.00 0.00 H new ATOM 982 N PRO A 82 11.164 -7.663 6.904 1.00 0.00 N ATOM 983 CA PRO A 82 10.148 -7.630 7.962 1.00 0.00 C ATOM 984 C PRO A 82 9.350 -6.331 7.962 1.00 0.00 C ATOM 985 O PRO A 82 9.636 -5.414 7.192 1.00 0.00 O ATOM 986 CB PRO A 82 10.965 -7.754 9.252 1.00 0.00 C ATOM 987 CG PRO A 82 12.328 -7.276 8.889 1.00 0.00 C ATOM 988 CD PRO A 82 12.533 -7.670 7.455 1.00 0.00 C ATOM 0 HA PRO A 82 9.407 -8.419 7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.535 -7.151 10.052 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.989 -8.784 9.607 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.409 -6.196 9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.084 -7.728 9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.181 -6.966 6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.996 -8.653 7.370 1.00 0.00 H new ATOM 996 N LEU A 83 8.347 -6.261 8.831 1.00 0.00 N ATOM 997 CA LEU A 83 7.505 -5.074 8.932 1.00 0.00 C ATOM 998 C LEU A 83 8.301 -3.883 9.453 1.00 0.00 C ATOM 999 O LEU A 83 8.046 -2.742 9.072 1.00 0.00 O ATOM 1000 CB LEU A 83 6.311 -5.345 9.849 1.00 0.00 C ATOM 1001 CG LEU A 83 5.386 -4.148 10.080 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.993 -3.512 8.756 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.148 -4.574 10.855 1.00 0.00 C ATOM 0 H LEU A 83 8.097 -7.011 9.475 1.00 0.00 H new ATOM 0 HA LEU A 83 7.140 -4.834 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.725 -6.161 9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.684 -5.688 10.814 1.00 0.00 H new ATOM 0 HG LEU A 83 5.925 -3.406 10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.335 -2.663 8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.888 -3.171 8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.473 -4.246 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.501 -3.711 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.609 -5.334 10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.446 -4.983 11.821 1.00 0.00 H new ATOM 1015 N SER A 84 9.268 -4.154 10.324 1.00 0.00 N ATOM 1016 CA SER A 84 10.100 -3.099 10.893 1.00 0.00 C ATOM 1017 C SER A 84 10.735 -2.257 9.792 1.00 0.00 C ATOM 1018 O SER A 84 10.696 -1.027 9.834 1.00 0.00 O ATOM 1019 CB SER A 84 11.191 -3.703 11.782 1.00 0.00 C ATOM 1020 OG SER A 84 11.632 -2.769 12.752 1.00 0.00 O ATOM 0 H SER A 84 9.495 -5.093 10.651 1.00 0.00 H new ATOM 0 HA SER A 84 9.463 -2.455 11.499 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.808 -4.595 12.279 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.033 -4.018 11.166 1.00 0.00 H new ATOM 0 HG SER A 84 12.327 -3.179 13.308 1.00 0.00 H new ATOM 1026 N THR A 85 11.317 -2.930 8.805 1.00 0.00 N ATOM 1027 CA THR A 85 11.957 -2.246 7.688 1.00 0.00 C ATOM 1028 C THR A 85 10.935 -1.465 6.869 1.00 0.00 C ATOM 1029 O THR A 85 11.147 -0.298 6.547 1.00 0.00 O ATOM 1030 CB THR A 85 12.679 -3.251 6.795 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.412 -4.179 7.574 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.642 -2.606 5.821 1.00 0.00 C ATOM 0 H THR A 85 11.359 -3.948 8.756 1.00 0.00 H new ATOM 0 HA THR A 85 12.684 -1.543 8.095 1.00 0.00 H new ATOM 0 HB THR A 85 11.892 -3.747 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.866 -4.816 6.983 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.121 -3.377 5.218 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.097 -1.922 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.402 -2.054 6.373 1.00 0.00 H new ATOM 1040 N CYS A 86 9.825 -2.117 6.541 1.00 0.00 N ATOM 1041 CA CYS A 86 8.764 -1.488 5.759 1.00 0.00 C ATOM 1042 C CYS A 86 8.264 -0.218 6.442 1.00 0.00 C ATOM 1043 O CYS A 86 8.206 0.844 5.824 1.00 0.00 O ATOM 1044 CB CYS A 86 7.607 -2.466 5.553 1.00 0.00 C ATOM 1045 SG CYS A 86 8.122 -4.125 5.044 1.00 0.00 S ATOM 0 H CYS A 86 9.635 -3.084 6.805 1.00 0.00 H new ATOM 0 HA CYS A 86 9.174 -1.215 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.040 -2.542 6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.932 -2.060 4.800 1.00 0.00 H new ATOM 0 HG CYS A 86 8.625 -4.755 6.064 1.00 0.00 H new ATOM 1051 N GLN A 87 7.916 -0.330 7.719 1.00 0.00 N ATOM 1052 CA GLN A 87 7.434 0.820 8.475 1.00 0.00 C ATOM 1053 C GLN A 87 8.461 1.948 8.443 1.00 0.00 C ATOM 1054 O GLN A 87 8.108 3.124 8.362 1.00 0.00 O ATOM 1055 CB GLN A 87 7.138 0.422 9.922 1.00 0.00 C ATOM 1056 CG GLN A 87 6.142 -0.720 10.045 1.00 0.00 C ATOM 1057 CD GLN A 87 4.704 -0.245 10.017 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.030 -0.203 11.046 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.225 0.118 8.833 1.00 0.00 N ATOM 0 H GLN A 87 7.958 -1.200 8.250 1.00 0.00 H new ATOM 0 HA GLN A 87 6.512 1.172 8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.070 0.135 10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.752 1.289 10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.303 -1.427 9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.325 -1.258 10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.819 0.067 8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.263 0.448 8.751 1.00 0.00 H new ATOM 1068 N SER A 88 9.735 1.577 8.504 1.00 0.00 N ATOM 1069 CA SER A 88 10.818 2.546 8.479 1.00 0.00 C ATOM 1070 C SER A 88 10.916 3.220 7.115 1.00 0.00 C ATOM 1071 O SER A 88 11.238 4.404 7.021 1.00 0.00 O ATOM 1072 CB SER A 88 12.148 1.872 8.826 1.00 0.00 C ATOM 1073 OG SER A 88 12.079 1.224 10.084 1.00 0.00 O ATOM 0 H SER A 88 10.041 0.606 8.571 1.00 0.00 H new ATOM 0 HA SER A 88 10.602 3.310 9.226 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.404 1.147 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.944 2.617 8.840 1.00 0.00 H new ATOM 0 HG SER A 88 11.501 0.435 10.014 1.00 0.00 H new ATOM 1079 N ILE A 89 10.630 2.462 6.060 1.00 0.00 N ATOM 1080 CA ILE A 89 10.677 2.993 4.712 1.00 0.00 C ATOM 1081 C ILE A 89 9.629 4.079 4.547 1.00 0.00 C ATOM 1082 O ILE A 89 9.912 5.154 4.028 1.00 0.00 O ATOM 1083 CB ILE A 89 10.449 1.874 3.671 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.622 0.890 3.699 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.269 2.458 2.276 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.605 -0.126 2.575 1.00 0.00 C ATOM 0 H ILE A 89 10.364 1.479 6.118 1.00 0.00 H new ATOM 0 HA ILE A 89 11.666 3.419 4.544 1.00 0.00 H new ATOM 0 HB ILE A 89 9.535 1.339 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.555 1.452 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.616 0.361 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.110 1.651 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.406 3.124 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.162 3.018 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.468 -0.785 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.690 -0.716 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.644 0.391 1.616 1.00 0.00 H new ATOM 1098 N ILE A 90 8.419 3.795 5.012 1.00 0.00 N ATOM 1099 CA ILE A 90 7.333 4.756 4.928 1.00 0.00 C ATOM 1100 C ILE A 90 7.664 6.009 5.724 1.00 0.00 C ATOM 1101 O ILE A 90 7.347 7.124 5.309 1.00 0.00 O ATOM 1102 CB ILE A 90 6.012 4.166 5.442 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.801 2.773 4.841 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.860 5.101 5.103 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.377 2.262 4.936 1.00 0.00 C ATOM 0 H ILE A 90 8.168 2.909 5.450 1.00 0.00 H new ATOM 0 HA ILE A 90 7.212 5.011 3.875 1.00 0.00 H new ATOM 0 HB ILE A 90 6.051 4.064 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.098 2.794 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.462 2.068 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.926 4.676 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.028 6.070 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.800 5.228 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.316 1.270 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.080 2.206 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.710 2.942 4.406 1.00 0.00 H new ATOM 1117 N LYS A 91 8.317 5.820 6.866 1.00 0.00 N ATOM 1118 CA LYS A 91 8.701 6.940 7.712 1.00 0.00 C ATOM 1119 C LYS A 91 9.848 7.708 7.066 1.00 0.00 C ATOM 1120 O LYS A 91 9.937 8.931 7.180 1.00 0.00 O ATOM 1121 CB LYS A 91 9.106 6.449 9.103 1.00 0.00 C ATOM 1122 CG LYS A 91 8.094 6.790 10.186 1.00 0.00 C ATOM 1123 CD LYS A 91 7.537 5.539 10.848 1.00 0.00 C ATOM 1124 CE LYS A 91 6.490 4.867 9.976 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.174 5.559 10.055 1.00 0.00 N ATOM 0 H LYS A 91 8.590 4.905 7.224 1.00 0.00 H new ATOM 0 HA LYS A 91 7.845 7.606 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.243 5.368 9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.069 6.885 9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.566 7.421 10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.277 7.367 9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.349 4.840 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.097 5.800 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.832 4.855 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.373 3.828 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.487 5.070 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.834 5.548 11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.280 6.543 9.736 1.00 0.00 H new ATOM 1139 N GLY A 92 10.721 6.977 6.378 1.00 0.00 N ATOM 1140 CA GLY A 92 11.847 7.600 5.708 1.00 0.00 C ATOM 1141 C GLY A 92 11.420 8.383 4.480 1.00 0.00 C ATOM 1142 O GLY A 92 12.200 9.161 3.930 1.00 0.00 O ATOM 0 H GLY A 92 10.668 5.964 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.358 8.267 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.564 6.833 5.417 1.00 0.00 H new ATOM 1146 N LEU A 93 10.175 8.181 4.053 1.00 0.00 N ATOM 1147 CA LEU A 93 9.639 8.876 2.889 1.00 0.00 C ATOM 1148 C LEU A 93 8.903 10.141 3.314 1.00 0.00 C ATOM 1149 O LEU A 93 7.908 10.529 2.700 1.00 0.00 O ATOM 1150 CB LEU A 93 8.686 7.962 2.116 1.00 0.00 C ATOM 1151 CG LEU A 93 9.327 6.717 1.501 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.256 5.796 0.939 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.320 7.111 0.417 1.00 0.00 C ATOM 0 H LEU A 93 9.519 7.540 4.498 1.00 0.00 H new ATOM 0 HA LEU A 93 10.473 9.152 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.888 7.645 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.220 8.542 1.319 1.00 0.00 H new ATOM 0 HG LEU A 93 9.868 6.181 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.726 4.914 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.582 5.491 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.691 6.322 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.767 6.214 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.803 7.667 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.102 7.735 0.849 1.00 0.00 H new ATOM 1165 N LYS A 94 9.391 10.776 4.374 1.00 0.00 N ATOM 1166 CA LYS A 94 8.784 11.983 4.889 1.00 0.00 C ATOM 1167 C LYS A 94 9.168 13.189 4.047 1.00 0.00 C ATOM 1168 O LYS A 94 8.406 14.145 3.933 1.00 0.00 O ATOM 1169 CB LYS A 94 9.209 12.206 6.341 1.00 0.00 C ATOM 1170 CG LYS A 94 8.132 12.846 7.198 1.00 0.00 C ATOM 1171 CD LYS A 94 8.232 12.396 8.647 1.00 0.00 C ATOM 1172 CE LYS A 94 8.786 13.496 9.539 1.00 0.00 C ATOM 1173 NZ LYS A 94 8.821 13.085 10.971 1.00 0.00 N ATOM 0 H LYS A 94 10.213 10.466 4.892 1.00 0.00 H new ATOM 0 HA LYS A 94 7.701 11.864 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.489 11.248 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.098 12.837 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.221 13.931 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.150 12.588 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.246 12.099 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.873 11.517 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.792 13.757 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.174 14.392 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.205 13.862 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.857 12.860 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.425 12.245 11.076 1.00 0.00 H new ATOM 1187 N ASN A 95 10.358 13.146 3.462 1.00 0.00 N ATOM 1188 CA ASN A 95 10.830 14.251 2.642 1.00 0.00 C ATOM 1189 C ASN A 95 11.216 13.789 1.239 1.00 0.00 C ATOM 1190 O ASN A 95 12.381 13.857 0.850 1.00 0.00 O ATOM 1191 CB ASN A 95 12.021 14.936 3.317 1.00 0.00 C ATOM 1192 CG ASN A 95 11.601 15.810 4.481 1.00 0.00 C ATOM 1193 OD1 ASN A 95 11.275 16.985 4.306 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.609 15.242 5.681 1.00 0.00 N ATOM 0 H ASN A 95 11.008 12.364 3.540 1.00 0.00 H new ATOM 0 HA ASN A 95 10.011 14.964 2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.721 14.178 3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.551 15.543 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.338 15.782 6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.886 14.265 5.781 1.00 0.00 H new ATOM 1201 N GLN A 96 10.226 13.329 0.482 1.00 0.00 N ATOM 1202 CA GLN A 96 10.459 12.867 -0.885 1.00 0.00 C ATOM 1203 C GLN A 96 9.605 13.656 -1.869 1.00 0.00 C ATOM 1204 O GLN A 96 10.051 13.991 -2.968 1.00 0.00 O ATOM 1205 CB GLN A 96 10.140 11.374 -1.021 1.00 0.00 C ATOM 1206 CG GLN A 96 10.367 10.571 0.248 1.00 0.00 C ATOM 1207 CD GLN A 96 11.832 10.267 0.492 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.441 9.474 -0.226 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.405 10.897 1.511 1.00 0.00 N ATOM 0 H GLN A 96 9.255 13.265 0.789 1.00 0.00 H new ATOM 0 HA GLN A 96 11.513 13.026 -1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.100 11.263 -1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.753 10.954 -1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.968 11.123 1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.811 9.635 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.862 11.546 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.389 10.732 1.725 1.00 0.00 H new ATOM 1218 N SER A 97 8.369 13.942 -1.468 1.00 0.00 N ATOM 1219 CA SER A 97 7.434 14.685 -2.307 1.00 0.00 C ATOM 1220 C SER A 97 6.878 13.814 -3.435 1.00 0.00 C ATOM 1221 O SER A 97 6.096 14.285 -4.258 1.00 0.00 O ATOM 1222 CB SER A 97 8.106 15.930 -2.894 1.00 0.00 C ATOM 1223 OG SER A 97 8.907 16.584 -1.925 1.00 0.00 O ATOM 0 H SER A 97 7.990 13.668 -0.561 1.00 0.00 H new ATOM 0 HA SER A 97 6.603 14.993 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.722 15.646 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.345 16.617 -3.265 1.00 0.00 H new ATOM 0 HG SER A 97 8.344 16.874 -1.177 1.00 0.00 H new ATOM 1229 N ARG A 98 7.277 12.543 -3.467 1.00 0.00 N ATOM 1230 CA ARG A 98 6.807 11.620 -4.495 1.00 0.00 C ATOM 1231 C ARG A 98 7.107 10.179 -4.091 1.00 0.00 C ATOM 1232 O ARG A 98 8.148 9.898 -3.497 1.00 0.00 O ATOM 1233 CB ARG A 98 7.463 11.938 -5.843 1.00 0.00 C ATOM 1234 CG ARG A 98 6.519 12.578 -6.851 1.00 0.00 C ATOM 1235 CD ARG A 98 7.159 13.770 -7.540 1.00 0.00 C ATOM 1236 NE ARG A 98 7.335 14.904 -6.633 1.00 0.00 N ATOM 1237 CZ ARG A 98 8.144 15.932 -6.881 1.00 0.00 C ATOM 1238 NH1 ARG A 98 8.855 15.971 -8.001 1.00 0.00 N ATOM 1239 NH2 ARG A 98 8.243 16.923 -6.006 1.00 0.00 N ATOM 0 H ARG A 98 7.923 12.131 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 98 5.728 11.739 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.308 12.606 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.863 11.017 -6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.228 11.839 -7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.607 12.896 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.128 13.477 -7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.540 14.075 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 98 6.807 14.907 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.783 15.211 -8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.473 16.761 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.700 16.898 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.863 17.711 -6.196 1.00 0.00 H new ATOM 1253 N VAL A 99 6.191 9.267 -4.408 1.00 0.00 N ATOM 1254 CA VAL A 99 6.373 7.861 -4.063 1.00 0.00 C ATOM 1255 C VAL A 99 5.960 6.939 -5.205 1.00 0.00 C ATOM 1256 O VAL A 99 4.774 6.706 -5.431 1.00 0.00 O ATOM 1257 CB VAL A 99 5.572 7.482 -2.801 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.068 6.159 -2.233 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.663 8.584 -1.753 1.00 0.00 C ATOM 0 H VAL A 99 5.322 9.475 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 99 7.437 7.729 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 99 4.525 7.366 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.492 5.906 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.946 5.374 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.122 6.248 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.091 8.296 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.706 8.736 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.258 9.509 -2.162 1.00 0.00 H new ATOM 1269 N LYS A 100 6.954 6.399 -5.907 1.00 0.00 N ATOM 1270 CA LYS A 100 6.705 5.479 -7.012 1.00 0.00 C ATOM 1271 C LYS A 100 6.719 4.051 -6.499 1.00 0.00 C ATOM 1272 O LYS A 100 7.674 3.307 -6.720 1.00 0.00 O ATOM 1273 CB LYS A 100 7.770 5.638 -8.100 1.00 0.00 C ATOM 1274 CG LYS A 100 8.053 7.082 -8.477 1.00 0.00 C ATOM 1275 CD LYS A 100 7.843 7.318 -9.965 1.00 0.00 C ATOM 1276 CE LYS A 100 6.446 6.905 -10.404 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.483 5.959 -11.553 1.00 0.00 N ATOM 0 H LYS A 100 7.941 6.584 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 100 5.730 5.709 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.695 5.173 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.450 5.096 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.401 7.743 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.078 7.336 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.000 8.372 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.585 6.755 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.925 6.440 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.876 7.791 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.512 5.702 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.958 6.412 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.005 5.102 -11.280 1.00 0.00 H new ATOM 1291 N LEU A 101 5.664 3.676 -5.794 1.00 0.00 N ATOM 1292 CA LEU A 101 5.569 2.340 -5.230 1.00 0.00 C ATOM 1293 C LEU A 101 4.604 1.468 -6.023 1.00 0.00 C ATOM 1294 O LEU A 101 3.431 1.807 -6.198 1.00 0.00 O ATOM 1295 CB LEU A 101 5.164 2.414 -3.755 1.00 0.00 C ATOM 1296 CG LEU A 101 3.753 2.918 -3.495 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.317 2.563 -2.082 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.669 4.424 -3.718 1.00 0.00 C ATOM 0 H LEU A 101 4.863 4.277 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 101 6.552 1.873 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.264 1.421 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.867 3.064 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 101 3.078 2.431 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.305 2.930 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.336 1.480 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.997 3.024 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.651 4.764 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.355 4.931 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.941 4.655 -4.748 1.00 0.00 H new ATOM 1310 N ASN A 102 5.113 0.340 -6.506 1.00 0.00 N ATOM 1311 CA ASN A 102 4.309 -0.593 -7.282 1.00 0.00 C ATOM 1312 C ASN A 102 3.648 -1.608 -6.363 1.00 0.00 C ATOM 1313 O ASN A 102 4.318 -2.463 -5.785 1.00 0.00 O ATOM 1314 CB ASN A 102 5.175 -1.310 -8.319 1.00 0.00 C ATOM 1315 CG ASN A 102 5.207 -0.583 -9.649 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.268 -0.176 -10.122 1.00 0.00 O ATOM 1317 ND2 ASN A 102 4.040 -0.416 -10.259 1.00 0.00 N ATOM 0 H ASN A 102 6.082 0.050 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 102 3.534 -0.031 -7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.191 -1.406 -7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.795 -2.320 -8.470 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.998 0.066 -11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.185 -0.770 -9.830 1.00 0.00 H new ATOM 1324 N ILE A 103 2.335 -1.501 -6.218 1.00 0.00 N ATOM 1325 CA ILE A 103 1.595 -2.408 -5.355 1.00 0.00 C ATOM 1326 C ILE A 103 0.845 -3.461 -6.164 1.00 0.00 C ATOM 1327 O ILE A 103 0.820 -3.410 -7.394 1.00 0.00 O ATOM 1328 CB ILE A 103 0.614 -1.637 -4.451 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.522 -1.021 -5.266 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.353 -0.554 -3.685 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.883 -1.300 -4.683 1.00 0.00 C ATOM 0 H ILE A 103 1.763 -0.798 -6.685 1.00 0.00 H new ATOM 0 HA ILE A 103 2.323 -2.917 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 103 0.178 -2.344 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.374 0.057 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.483 -1.408 -6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.651 -0.015 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.127 -1.009 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.812 0.140 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.648 -0.837 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.049 -2.377 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.938 -0.889 -3.675 1.00 0.00 H new ATOM 1343 N VAL A 104 0.249 -4.422 -5.468 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.485 -5.492 -6.126 1.00 0.00 C ATOM 1345 C VAL A 104 -1.837 -5.740 -5.461 1.00 0.00 C ATOM 1346 O VAL A 104 -1.994 -5.567 -4.251 1.00 0.00 O ATOM 1347 CB VAL A 104 0.327 -6.805 -6.121 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -0.473 -7.945 -6.734 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.643 -6.617 -6.861 1.00 0.00 C ATOM 0 H VAL A 104 0.260 -4.481 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.652 -5.172 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 104 0.544 -7.066 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.123 -8.858 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.387 -8.098 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.729 -7.697 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.204 -7.551 -6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.442 -6.328 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.227 -5.837 -6.373 1.00 0.00 H new