USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 696 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 42 MET CE :methyl 163:sc= -0.082 (180deg=-0.534) USER MOD Set 1.2: A 86 THR OG1 : rot -25:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -131:sc= -1.66 (180deg=-4.27!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00468 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.54!) USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= 1.08 (180deg=-1.07) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0534 (180deg=-0.327) USER MOD Single : A 59 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.68) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 66 MET CE :methyl -170:sc= 0 (180deg=-0.0486) USER MOD Single : A 67 THR OG1 : rot 31:sc= 0.127 USER MOD Single : A 72 SER OG : rot 79:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.954) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -103:sc= 0.103 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.0385 (180deg=-0.259) USER MOD Single : A 88 LYS NZ :NH3+ -108:sc= 1.63 (180deg=0.543) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 96:sc= 0.0168 USER MOD Single : A 102 LYS NZ :NH3+ 154:sc= 0.46 (180deg=-0.454!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.281 X(o=0.28,f=-0.12) USER MOD Single : A 113 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 115 LYS NZ :NH3+ -135:sc= -1.52 (180deg=-4.04!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 19 -3.013 -8.836 7.800 1.00 0.00 N ATOM 16 CA TRP A 19 -4.245 -8.081 7.706 1.00 0.00 C ATOM 17 C TRP A 19 -5.255 -8.800 6.800 1.00 0.00 C ATOM 18 O TRP A 19 -4.947 -9.191 5.674 1.00 0.00 O ATOM 19 CB TRP A 19 -3.939 -6.654 7.221 1.00 0.00 C ATOM 20 CG TRP A 19 -3.258 -6.557 5.881 1.00 0.00 C ATOM 21 CD1 TRP A 19 -2.590 -7.537 5.199 1.00 0.00 C ATOM 22 CD2 TRP A 19 -3.169 -5.384 5.076 1.00 0.00 C ATOM 23 NE1 TRP A 19 -2.113 -7.043 4.012 1.00 0.00 N ATOM 24 CE2 TRP A 19 -2.456 -5.721 3.914 1.00 0.00 C ATOM 25 CE3 TRP A 19 -3.636 -4.083 5.230 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -2.199 -4.794 2.909 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -3.382 -3.159 4.233 1.00 0.00 C ATOM 28 CH2 TRP A 19 -2.671 -3.520 3.083 1.00 0.00 C ATOM 0 HA TRP A 19 -4.705 -8.009 8.692 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.874 -6.096 7.175 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.311 -6.163 7.965 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.458 -8.552 5.545 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.589 -7.573 3.316 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.188 -3.799 6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.647 -5.069 2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.737 -2.145 4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.491 -2.780 2.318 1.00 0.00 H new ATOM 39 N ASP A 20 -6.457 -8.995 7.320 1.00 0.00 N ATOM 40 CA ASP A 20 -7.481 -9.780 6.630 1.00 0.00 C ATOM 41 C ASP A 20 -8.437 -8.876 5.853 1.00 0.00 C ATOM 42 O ASP A 20 -8.451 -7.674 6.070 1.00 0.00 O ATOM 43 CB ASP A 20 -8.252 -10.630 7.652 1.00 0.00 C ATOM 44 CG ASP A 20 -9.408 -11.400 7.042 1.00 0.00 C ATOM 45 OD1 ASP A 20 -9.168 -12.259 6.175 1.00 0.00 O ATOM 46 OD2 ASP A 20 -10.569 -11.128 7.414 1.00 0.00 O ATOM 0 H ASP A 20 -6.753 -8.620 8.221 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.992 -10.438 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.564 -11.333 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.633 -9.981 8.441 1.00 0.00 H new ATOM 51 N ASP A 21 -9.230 -9.485 4.963 1.00 0.00 N ATOM 52 CA ASP A 21 -10.211 -8.787 4.114 1.00 0.00 C ATOM 53 C ASP A 21 -10.865 -7.604 4.822 1.00 0.00 C ATOM 54 O ASP A 21 -10.723 -6.453 4.401 1.00 0.00 O ATOM 55 CB ASP A 21 -11.296 -9.784 3.691 1.00 0.00 C ATOM 56 CG ASP A 21 -12.402 -9.164 2.860 1.00 0.00 C ATOM 57 OD1 ASP A 21 -12.149 -8.789 1.696 1.00 0.00 O ATOM 58 OD2 ASP A 21 -13.547 -9.092 3.355 1.00 0.00 O ATOM 0 H ASP A 21 -9.210 -10.493 4.808 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.678 -8.392 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.834 -10.590 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.732 -10.233 4.583 1.00 0.00 H new ATOM 63 N ALA A 22 -11.566 -7.896 5.904 1.00 0.00 N ATOM 64 CA ALA A 22 -12.267 -6.873 6.664 1.00 0.00 C ATOM 65 C ALA A 22 -11.286 -6.026 7.469 1.00 0.00 C ATOM 66 O ALA A 22 -11.419 -4.803 7.555 1.00 0.00 O ATOM 67 CB ALA A 22 -13.293 -7.523 7.574 1.00 0.00 C ATOM 0 H ALA A 22 -11.666 -8.839 6.279 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.783 -6.210 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.816 -6.753 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.011 -8.081 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.790 -8.202 8.262 1.00 0.00 H new ATOM 73 N ASP A 23 -10.294 -6.699 8.044 1.00 0.00 N ATOM 74 CA ASP A 23 -9.276 -6.057 8.878 1.00 0.00 C ATOM 75 C ASP A 23 -8.559 -4.925 8.131 1.00 0.00 C ATOM 76 O ASP A 23 -8.261 -3.879 8.712 1.00 0.00 O ATOM 77 CB ASP A 23 -8.267 -7.110 9.351 1.00 0.00 C ATOM 78 CG ASP A 23 -7.171 -6.538 10.222 1.00 0.00 C ATOM 79 OD1 ASP A 23 -7.464 -6.129 11.364 1.00 0.00 O ATOM 80 OD2 ASP A 23 -6.013 -6.497 9.770 1.00 0.00 O ATOM 0 H ASP A 23 -10.171 -7.707 7.946 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.772 -5.611 9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.795 -7.886 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.818 -7.589 8.481 1.00 0.00 H new ATOM 85 N VAL A 24 -8.288 -5.145 6.847 1.00 0.00 N ATOM 86 CA VAL A 24 -7.634 -4.147 6.000 1.00 0.00 C ATOM 87 C VAL A 24 -8.419 -2.836 5.977 1.00 0.00 C ATOM 88 O VAL A 24 -7.908 -1.784 6.372 1.00 0.00 O ATOM 89 CB VAL A 24 -7.480 -4.653 4.544 1.00 0.00 C ATOM 90 CG1 VAL A 24 -6.895 -3.571 3.648 1.00 0.00 C ATOM 91 CG2 VAL A 24 -6.617 -5.902 4.490 1.00 0.00 C ATOM 0 H VAL A 24 -8.514 -6.015 6.365 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.648 -3.974 6.431 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.475 -4.904 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.798 -3.953 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.554 -2.703 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.913 -3.281 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.525 -6.236 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.627 -5.678 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.078 -6.689 5.086 1.00 0.00 H new ATOM 101 N LYS A 25 -9.666 -2.914 5.531 1.00 0.00 N ATOM 102 CA LYS A 25 -10.477 -1.722 5.319 1.00 0.00 C ATOM 103 C LYS A 25 -10.852 -1.035 6.626 1.00 0.00 C ATOM 104 O LYS A 25 -11.163 0.150 6.624 1.00 0.00 O ATOM 105 CB LYS A 25 -11.720 -2.044 4.486 1.00 0.00 C ATOM 106 CG LYS A 25 -11.399 -2.235 3.010 1.00 0.00 C ATOM 107 CD LYS A 25 -12.650 -2.409 2.164 1.00 0.00 C ATOM 108 CE LYS A 25 -12.311 -2.388 0.680 1.00 0.00 C ATOM 109 NZ LYS A 25 -13.494 -2.672 -0.177 1.00 0.00 N ATOM 0 H LYS A 25 -10.138 -3.790 5.309 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.864 -1.017 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.188 -2.949 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.446 -1.238 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.836 -1.374 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.758 -3.108 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.136 -3.351 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.360 -1.613 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.902 -1.412 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.534 -3.125 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.212 -2.646 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.871 -3.614 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.227 -1.955 -0.006 1.00 0.00 H new ATOM 123 N LYS A 26 -10.828 -1.771 7.734 1.00 0.00 N ATOM 124 CA LYS A 26 -11.073 -1.175 9.050 1.00 0.00 C ATOM 125 C LYS A 26 -10.137 0.009 9.300 1.00 0.00 C ATOM 126 O LYS A 26 -10.565 1.066 9.763 1.00 0.00 O ATOM 127 CB LYS A 26 -10.883 -2.214 10.158 1.00 0.00 C ATOM 128 CG LYS A 26 -12.028 -3.209 10.279 1.00 0.00 C ATOM 129 CD LYS A 26 -11.735 -4.311 11.295 1.00 0.00 C ATOM 130 CE LYS A 26 -11.639 -3.793 12.731 1.00 0.00 C ATOM 131 NZ LYS A 26 -10.384 -3.030 12.996 1.00 0.00 N ATOM 0 H LYS A 26 -10.643 -2.774 7.751 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.103 -0.820 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.958 -2.761 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.763 -1.697 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.936 -2.681 10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.220 -3.658 9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.519 -5.066 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.799 -4.803 11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.497 -3.153 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.697 -4.636 13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.941 -3.382 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.727 -3.155 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.608 -2.020 13.105 1.00 0.00 H new ATOM 145 N ARG A 27 -8.863 -0.166 8.975 1.00 0.00 N ATOM 146 CA ARG A 27 -7.877 0.891 9.167 1.00 0.00 C ATOM 147 C ARG A 27 -8.070 2.003 8.147 1.00 0.00 C ATOM 148 O ARG A 27 -7.988 3.187 8.482 1.00 0.00 O ATOM 149 CB ARG A 27 -6.465 0.324 9.067 1.00 0.00 C ATOM 150 CG ARG A 27 -6.135 -0.632 10.194 1.00 0.00 C ATOM 151 CD ARG A 27 -4.769 -1.262 10.013 1.00 0.00 C ATOM 152 NE ARG A 27 -4.475 -2.196 11.091 1.00 0.00 N ATOM 153 CZ ARG A 27 -4.697 -3.506 11.028 1.00 0.00 C ATOM 154 NH1 ARG A 27 -5.150 -4.055 9.905 1.00 0.00 N ATOM 155 NH2 ARG A 27 -4.469 -4.264 12.091 1.00 0.00 N ATOM 0 H ARG A 27 -8.488 -1.027 8.578 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.018 1.311 10.163 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.353 -0.193 8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.748 1.145 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.167 -0.099 11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.893 -1.414 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.729 -1.782 9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.007 -0.483 9.985 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.073 -1.821 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.329 -3.471 9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.319 -5.060 9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.125 -3.842 12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.638 -5.269 12.047 1.00 0.00 H new ATOM 169 N TRP A 28 -8.338 1.612 6.906 1.00 0.00 N ATOM 170 CA TRP A 28 -8.615 2.565 5.838 1.00 0.00 C ATOM 171 C TRP A 28 -9.825 3.426 6.189 1.00 0.00 C ATOM 172 O TRP A 28 -9.833 4.634 5.950 1.00 0.00 O ATOM 173 CB TRP A 28 -8.856 1.822 4.521 1.00 0.00 C ATOM 174 CG TRP A 28 -7.648 1.762 3.631 1.00 0.00 C ATOM 175 CD1 TRP A 28 -6.430 1.197 3.908 1.00 0.00 C ATOM 176 CD2 TRP A 28 -7.552 2.286 2.302 1.00 0.00 C ATOM 177 NE1 TRP A 28 -5.584 1.357 2.832 1.00 0.00 N ATOM 178 CE2 TRP A 28 -6.253 2.016 1.835 1.00 0.00 C ATOM 179 CE3 TRP A 28 -8.442 2.957 1.461 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -5.822 2.401 0.568 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -8.014 3.336 0.203 1.00 0.00 C ATOM 182 CH2 TRP A 28 -6.716 3.055 -0.233 1.00 0.00 C ATOM 0 H TRP A 28 -8.369 0.635 6.614 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.750 3.218 5.721 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -9.184 0.806 4.742 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -9.669 2.309 3.983 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.172 0.701 4.832 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.617 1.037 2.786 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -9.448 3.176 1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.818 2.191 0.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.694 3.858 -0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.413 3.361 -1.223 1.00 0.00 H new ATOM 193 N ASP A 29 -10.836 2.794 6.772 1.00 0.00 N ATOM 194 CA ASP A 29 -12.051 3.482 7.194 1.00 0.00 C ATOM 195 C ASP A 29 -11.744 4.491 8.291 1.00 0.00 C ATOM 196 O ASP A 29 -12.207 5.624 8.240 1.00 0.00 O ATOM 197 CB ASP A 29 -13.090 2.469 7.686 1.00 0.00 C ATOM 198 CG ASP A 29 -14.400 3.114 8.096 1.00 0.00 C ATOM 199 OD1 ASP A 29 -15.166 3.529 7.202 1.00 0.00 O ATOM 200 OD2 ASP A 29 -14.684 3.181 9.311 1.00 0.00 O ATOM 0 H ASP A 29 -10.838 1.793 6.966 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.458 4.017 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.281 1.741 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.681 1.920 8.534 1.00 0.00 H new ATOM 205 N ALA A 30 -10.943 4.084 9.268 1.00 0.00 N ATOM 206 CA ALA A 30 -10.560 4.966 10.367 1.00 0.00 C ATOM 207 C ALA A 30 -9.874 6.232 9.852 1.00 0.00 C ATOM 208 O ALA A 30 -10.254 7.349 10.213 1.00 0.00 O ATOM 209 CB ALA A 30 -9.649 4.231 11.340 1.00 0.00 C ATOM 0 H ALA A 30 -10.544 3.147 9.323 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.469 5.266 10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.371 4.900 12.154 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.172 3.365 11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.750 3.901 10.819 1.00 0.00 H new ATOM 215 N PHE A 31 -8.871 6.052 9.002 1.00 0.00 N ATOM 216 CA PHE A 31 -8.131 7.166 8.420 1.00 0.00 C ATOM 217 C PHE A 31 -8.989 7.994 7.455 1.00 0.00 C ATOM 218 O PHE A 31 -8.613 9.102 7.081 1.00 0.00 O ATOM 219 CB PHE A 31 -6.888 6.657 7.687 1.00 0.00 C ATOM 220 CG PHE A 31 -5.944 5.853 8.544 1.00 0.00 C ATOM 221 CD1 PHE A 31 -5.674 6.228 9.850 1.00 0.00 C ATOM 222 CD2 PHE A 31 -5.321 4.724 8.036 1.00 0.00 C ATOM 223 CE1 PHE A 31 -4.806 5.493 10.633 1.00 0.00 C ATOM 224 CE2 PHE A 31 -4.451 3.985 8.814 1.00 0.00 C ATOM 225 CZ PHE A 31 -4.192 4.371 10.113 1.00 0.00 C ATOM 0 H PHE A 31 -8.548 5.134 8.697 1.00 0.00 H new ATOM 0 HA PHE A 31 -7.835 7.814 9.245 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.205 6.044 6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.349 7.510 7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.149 7.107 10.261 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.518 4.418 7.019 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.608 5.795 11.651 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.974 3.106 8.406 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.510 3.796 10.722 1.00 0.00 H new ATOM 371 N MET A 42 2.689 8.605 11.243 1.00 0.00 N ATOM 372 CA MET A 42 2.812 7.626 10.179 1.00 0.00 C ATOM 373 C MET A 42 4.182 7.751 9.533 1.00 0.00 C ATOM 374 O MET A 42 4.401 8.623 8.696 1.00 0.00 O ATOM 375 CB MET A 42 1.706 7.823 9.135 1.00 0.00 C ATOM 376 CG MET A 42 0.301 7.678 9.703 1.00 0.00 C ATOM 377 SD MET A 42 -0.987 8.006 8.485 1.00 0.00 S ATOM 378 CE MET A 42 -0.659 6.713 7.289 1.00 0.00 C ATOM 0 HA MET A 42 2.704 6.626 10.600 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.809 8.813 8.691 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.841 7.098 8.333 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.175 6.668 10.094 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.182 8.362 10.543 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.528 6.585 6.644 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.205 6.988 6.684 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.454 5.778 7.811 1.00 0.00 H new ATOM 388 N THR A 43 5.111 6.909 9.963 1.00 0.00 N ATOM 389 CA THR A 43 6.480 6.966 9.474 1.00 0.00 C ATOM 390 C THR A 43 6.582 6.433 8.049 1.00 0.00 C ATOM 391 O THR A 43 6.192 5.298 7.761 1.00 0.00 O ATOM 392 CB THR A 43 7.435 6.191 10.403 1.00 0.00 C ATOM 393 OG1 THR A 43 6.917 4.881 10.675 1.00 0.00 O ATOM 394 CG2 THR A 43 7.636 6.941 11.710 1.00 0.00 C ATOM 0 H THR A 43 4.940 6.176 10.652 1.00 0.00 H new ATOM 0 HA THR A 43 6.779 8.014 9.469 1.00 0.00 H new ATOM 0 HB THR A 43 8.396 6.097 9.897 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.535 4.401 11.265 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.313 6.378 12.352 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.063 7.922 11.504 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.676 7.061 12.212 1.00 0.00 H new ATOM 402 N GLY A 44 7.117 7.261 7.163 1.00 0.00 N ATOM 403 CA GLY A 44 7.185 6.912 5.762 1.00 0.00 C ATOM 404 C GLY A 44 8.190 5.816 5.477 1.00 0.00 C ATOM 405 O GLY A 44 8.075 5.117 4.474 1.00 0.00 O ATOM 0 H GLY A 44 7.507 8.175 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.200 6.591 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.447 7.798 5.184 1.00 0.00 H new ATOM 409 N LYS A 45 9.176 5.654 6.354 1.00 0.00 N ATOM 410 CA LYS A 45 10.154 4.588 6.194 1.00 0.00 C ATOM 411 C LYS A 45 9.489 3.234 6.425 1.00 0.00 C ATOM 412 O LYS A 45 9.781 2.257 5.737 1.00 0.00 O ATOM 413 CB LYS A 45 11.322 4.758 7.164 1.00 0.00 C ATOM 414 CG LYS A 45 12.475 3.814 6.877 1.00 0.00 C ATOM 415 CD LYS A 45 13.462 3.765 8.029 1.00 0.00 C ATOM 416 CE LYS A 45 12.854 3.095 9.250 1.00 0.00 C ATOM 417 NZ LYS A 45 13.833 2.974 10.358 1.00 0.00 N ATOM 0 H LYS A 45 9.317 6.242 7.175 1.00 0.00 H new ATOM 0 HA LYS A 45 10.543 4.637 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.681 5.786 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.969 4.592 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.087 2.813 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.989 4.133 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.356 3.223 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.775 4.777 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.992 3.670 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.490 2.105 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.380 2.512 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.644 2.404 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.162 3.921 10.636 1.00 0.00 H new ATOM 431 N ASN A 46 8.581 3.186 7.393 1.00 0.00 N ATOM 432 CA ASN A 46 7.839 1.964 7.671 1.00 0.00 C ATOM 433 C ASN A 46 6.895 1.685 6.510 1.00 0.00 C ATOM 434 O ASN A 46 6.723 0.545 6.089 1.00 0.00 O ATOM 435 CB ASN A 46 7.042 2.097 8.975 1.00 0.00 C ATOM 436 CG ASN A 46 6.611 0.753 9.545 1.00 0.00 C ATOM 437 OD1 ASN A 46 6.472 -0.233 8.825 1.00 0.00 O ATOM 438 ND2 ASN A 46 6.377 0.710 10.847 1.00 0.00 N ATOM 0 H ASN A 46 8.342 3.974 7.995 1.00 0.00 H new ATOM 0 HA ASN A 46 8.540 1.138 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.648 2.622 9.714 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.159 2.710 8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.071 -0.161 11.282 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.502 1.547 11.416 1.00 0.00 H new ATOM 445 N PHE A 47 6.313 2.753 5.976 1.00 0.00 N ATOM 446 CA PHE A 47 5.425 2.655 4.825 1.00 0.00 C ATOM 447 C PHE A 47 6.202 2.184 3.596 1.00 0.00 C ATOM 448 O PHE A 47 5.722 1.353 2.828 1.00 0.00 O ATOM 449 CB PHE A 47 4.756 4.009 4.558 1.00 0.00 C ATOM 450 CG PHE A 47 3.718 3.967 3.476 1.00 0.00 C ATOM 451 CD1 PHE A 47 2.495 3.360 3.700 1.00 0.00 C ATOM 452 CD2 PHE A 47 3.967 4.535 2.239 1.00 0.00 C ATOM 453 CE1 PHE A 47 1.535 3.324 2.710 1.00 0.00 C ATOM 454 CE2 PHE A 47 3.011 4.501 1.244 1.00 0.00 C ATOM 455 CZ PHE A 47 1.793 3.893 1.479 1.00 0.00 C ATOM 0 H PHE A 47 6.442 3.703 6.325 1.00 0.00 H new ATOM 0 HA PHE A 47 4.647 1.922 5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.293 4.363 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.522 4.735 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.290 2.910 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.919 5.010 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.582 2.851 2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.215 4.949 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.044 3.863 0.701 1.00 0.00 H new ATOM 465 N ASP A 48 7.412 2.712 3.429 1.00 0.00 N ATOM 466 CA ASP A 48 8.306 2.293 2.348 1.00 0.00 C ATOM 467 C ASP A 48 8.593 0.802 2.449 1.00 0.00 C ATOM 468 O ASP A 48 8.638 0.098 1.447 1.00 0.00 O ATOM 469 CB ASP A 48 9.616 3.090 2.415 1.00 0.00 C ATOM 470 CG ASP A 48 10.622 2.709 1.341 1.00 0.00 C ATOM 471 OD1 ASP A 48 11.406 1.762 1.560 1.00 0.00 O ATOM 472 OD2 ASP A 48 10.654 3.386 0.290 1.00 0.00 O ATOM 0 H ASP A 48 7.800 3.437 4.033 1.00 0.00 H new ATOM 0 HA ASP A 48 7.820 2.489 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.389 4.152 2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.071 2.942 3.394 1.00 0.00 H new ATOM 477 N LYS A 49 8.732 0.325 3.675 1.00 0.00 N ATOM 478 CA LYS A 49 9.017 -1.077 3.934 1.00 0.00 C ATOM 479 C LYS A 49 7.765 -1.908 3.710 1.00 0.00 C ATOM 480 O LYS A 49 7.811 -2.959 3.076 1.00 0.00 O ATOM 481 CB LYS A 49 9.525 -1.269 5.366 1.00 0.00 C ATOM 482 CG LYS A 49 9.727 -2.729 5.741 1.00 0.00 C ATOM 483 CD LYS A 49 10.264 -2.886 7.151 1.00 0.00 C ATOM 484 CE LYS A 49 10.367 -4.353 7.540 1.00 0.00 C ATOM 485 NZ LYS A 49 11.229 -5.123 6.602 1.00 0.00 N ATOM 0 H LYS A 49 8.651 0.896 4.516 1.00 0.00 H new ATOM 0 HA LYS A 49 9.795 -1.407 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.469 -0.737 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.816 -0.818 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.779 -3.260 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.418 -3.192 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.246 -2.418 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.611 -2.366 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.770 -4.432 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.370 -4.793 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.644 -5.795 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.697 -4.468 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.949 -5.645 7.141 1.00 0.00 H new ATOM 499 N TRP A 50 6.651 -1.420 4.241 1.00 0.00 N ATOM 500 CA TRP A 50 5.344 -2.036 4.043 1.00 0.00 C ATOM 501 C TRP A 50 5.081 -2.253 2.554 1.00 0.00 C ATOM 502 O TRP A 50 4.430 -3.223 2.159 1.00 0.00 O ATOM 503 CB TRP A 50 4.267 -1.130 4.657 1.00 0.00 C ATOM 504 CG TRP A 50 2.862 -1.618 4.481 1.00 0.00 C ATOM 505 CD1 TRP A 50 1.960 -1.190 3.549 1.00 0.00 C ATOM 506 CD2 TRP A 50 2.191 -2.615 5.261 1.00 0.00 C ATOM 507 NE1 TRP A 50 0.772 -1.860 3.700 1.00 0.00 N ATOM 508 CE2 TRP A 50 0.890 -2.740 4.742 1.00 0.00 C ATOM 509 CE3 TRP A 50 2.560 -3.415 6.348 1.00 0.00 C ATOM 510 CZ2 TRP A 50 -0.036 -3.630 5.267 1.00 0.00 C ATOM 511 CZ3 TRP A 50 1.634 -4.301 6.866 1.00 0.00 C ATOM 512 CH2 TRP A 50 0.350 -4.399 6.326 1.00 0.00 C ATOM 0 H TRP A 50 6.628 -0.583 4.823 1.00 0.00 H new ATOM 0 HA TRP A 50 5.319 -3.009 4.534 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.468 -1.021 5.723 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.351 -0.138 4.214 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.154 -0.434 2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -0.062 -1.725 3.129 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.550 -3.342 6.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.029 -3.711 4.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.908 -4.928 7.702 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.352 -5.098 6.756 1.00 0.00 H new ATOM 523 N LEU A 51 5.613 -1.357 1.730 1.00 0.00 N ATOM 524 CA LEU A 51 5.415 -1.448 0.286 1.00 0.00 C ATOM 525 C LEU A 51 6.541 -2.226 -0.396 1.00 0.00 C ATOM 526 O LEU A 51 6.300 -2.962 -1.359 1.00 0.00 O ATOM 527 CB LEU A 51 5.291 -0.053 -0.337 1.00 0.00 C ATOM 528 CG LEU A 51 3.862 0.482 -0.477 1.00 0.00 C ATOM 529 CD1 LEU A 51 3.027 -0.448 -1.345 1.00 0.00 C ATOM 530 CD2 LEU A 51 3.215 0.658 0.885 1.00 0.00 C ATOM 0 H LEU A 51 6.180 -0.565 2.033 1.00 0.00 H new ATOM 0 HA LEU A 51 4.485 -1.993 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.865 0.648 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.751 -0.073 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 51 3.911 1.458 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.015 -0.052 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.476 -0.522 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.991 -1.437 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.201 1.039 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.181 -0.303 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.798 1.365 1.476 1.00 0.00 H new ATOM 542 N LYS A 52 7.760 -2.064 0.099 1.00 0.00 N ATOM 543 CA LYS A 52 8.922 -2.713 -0.499 1.00 0.00 C ATOM 544 C LYS A 52 8.933 -4.206 -0.202 1.00 0.00 C ATOM 545 O LYS A 52 9.181 -5.023 -1.091 1.00 0.00 O ATOM 546 CB LYS A 52 10.214 -2.069 0.005 1.00 0.00 C ATOM 547 CG LYS A 52 11.449 -2.540 -0.736 1.00 0.00 C ATOM 548 CD LYS A 52 12.707 -1.884 -0.202 1.00 0.00 C ATOM 549 CE LYS A 52 13.930 -2.335 -0.980 1.00 0.00 C ATOM 550 NZ LYS A 52 14.098 -3.810 -0.941 1.00 0.00 N ATOM 0 H LYS A 52 7.972 -1.488 0.914 1.00 0.00 H new ATOM 0 HA LYS A 52 8.857 -2.580 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.133 -0.986 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.330 -2.288 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.537 -3.623 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.344 -2.316 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.611 -0.800 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.831 -2.132 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.843 -2.007 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.819 -1.857 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.046 -4.061 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.986 -4.146 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.379 -4.257 -1.545 1.00 0.00 H new ATOM 564 N ASP A 53 8.655 -4.555 1.046 1.00 0.00 N ATOM 565 CA ASP A 53 8.603 -5.952 1.466 1.00 0.00 C ATOM 566 C ASP A 53 7.478 -6.681 0.745 1.00 0.00 C ATOM 567 O ASP A 53 7.591 -7.865 0.429 1.00 0.00 O ATOM 568 CB ASP A 53 8.410 -6.048 2.983 1.00 0.00 C ATOM 569 CG ASP A 53 9.693 -5.816 3.761 1.00 0.00 C ATOM 570 OD1 ASP A 53 10.433 -4.857 3.452 1.00 0.00 O ATOM 571 OD2 ASP A 53 9.977 -6.597 4.691 1.00 0.00 O ATOM 0 H ASP A 53 8.460 -3.886 1.791 1.00 0.00 H new ATOM 0 HA ASP A 53 9.549 -6.426 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.665 -5.317 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.014 -7.033 3.232 1.00 0.00 H new ATOM 576 N ALA A 54 6.401 -5.951 0.476 1.00 0.00 N ATOM 577 CA ALA A 54 5.261 -6.489 -0.254 1.00 0.00 C ATOM 578 C ALA A 54 5.622 -6.762 -1.712 1.00 0.00 C ATOM 579 O ALA A 54 5.060 -7.652 -2.347 1.00 0.00 O ATOM 580 CB ALA A 54 4.087 -5.527 -0.175 1.00 0.00 C ATOM 0 H ALA A 54 6.295 -4.976 0.756 1.00 0.00 H new ATOM 0 HA ALA A 54 4.978 -7.435 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.241 -5.940 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.806 -5.381 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.371 -4.570 -0.612 1.00 0.00 H new ATOM 586 N GLY A 55 6.553 -5.981 -2.241 1.00 0.00 N ATOM 587 CA GLY A 55 6.993 -6.174 -3.610 1.00 0.00 C ATOM 588 C GLY A 55 6.316 -5.224 -4.572 1.00 0.00 C ATOM 589 O GLY A 55 6.620 -5.215 -5.765 1.00 0.00 O ATOM 0 H GLY A 55 7.013 -5.216 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.073 -6.034 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.789 -7.201 -3.913 1.00 0.00 H new ATOM 593 N VAL A 56 5.402 -4.414 -4.052 1.00 0.00 N ATOM 594 CA VAL A 56 4.682 -3.450 -4.870 1.00 0.00 C ATOM 595 C VAL A 56 5.585 -2.260 -5.164 1.00 0.00 C ATOM 596 O VAL A 56 5.672 -1.786 -6.296 1.00 0.00 O ATOM 597 CB VAL A 56 3.392 -2.970 -4.169 1.00 0.00 C ATOM 598 CG1 VAL A 56 2.578 -2.067 -5.087 1.00 0.00 C ATOM 599 CG2 VAL A 56 2.558 -4.159 -3.709 1.00 0.00 C ATOM 0 H VAL A 56 5.143 -4.407 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 56 4.396 -3.937 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 56 3.679 -2.390 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.675 -1.742 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.173 -1.195 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.303 -2.616 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.653 -3.801 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.286 -4.768 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.137 -4.761 -3.009 1.00 0.00 H new ATOM 609 N LEU A 57 6.269 -1.798 -4.131 1.00 0.00 N ATOM 610 CA LEU A 57 7.264 -0.753 -4.277 1.00 0.00 C ATOM 611 C LEU A 57 8.644 -1.362 -4.109 1.00 0.00 C ATOM 612 O LEU A 57 9.200 -1.367 -3.020 1.00 0.00 O ATOM 613 CB LEU A 57 7.037 0.358 -3.244 1.00 0.00 C ATOM 614 CG LEU A 57 8.038 1.518 -3.286 1.00 0.00 C ATOM 615 CD1 LEU A 57 7.336 2.820 -3.637 1.00 0.00 C ATOM 616 CD2 LEU A 57 8.759 1.647 -1.950 1.00 0.00 C ATOM 0 H LEU A 57 6.151 -2.134 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 57 7.180 -0.308 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.035 0.762 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.064 -0.085 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 57 8.776 1.306 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.064 3.631 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.864 2.727 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.576 3.037 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.466 2.475 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.031 1.835 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.296 0.723 -1.736 1.00 0.00 H new ATOM 628 N ASP A 58 9.165 -1.928 -5.190 1.00 0.00 N ATOM 629 CA ASP A 58 10.473 -2.572 -5.163 1.00 0.00 C ATOM 630 C ASP A 58 11.540 -1.613 -4.637 1.00 0.00 C ATOM 631 O ASP A 58 12.423 -2.011 -3.877 1.00 0.00 O ATOM 632 CB ASP A 58 10.839 -3.069 -6.560 1.00 0.00 C ATOM 633 CG ASP A 58 12.205 -3.715 -6.615 1.00 0.00 C ATOM 634 OD1 ASP A 58 13.196 -2.987 -6.771 1.00 0.00 O ATOM 635 OD2 ASP A 58 12.291 -4.957 -6.516 1.00 0.00 O ATOM 0 H ASP A 58 8.701 -1.954 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 58 10.426 -3.426 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.089 -3.787 -6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.810 -2.232 -7.257 1.00 0.00 H new ATOM 640 N ASN A 59 11.450 -0.351 -5.067 1.00 0.00 N ATOM 641 CA ASN A 59 12.285 0.740 -4.539 1.00 0.00 C ATOM 642 C ASN A 59 13.751 0.608 -4.978 1.00 0.00 C ATOM 643 O ASN A 59 14.563 1.499 -4.740 1.00 0.00 O ATOM 644 CB ASN A 59 12.173 0.794 -3.002 1.00 0.00 C ATOM 645 CG ASN A 59 12.817 2.025 -2.383 1.00 0.00 C ATOM 646 OD1 ASN A 59 12.892 3.091 -2.998 1.00 0.00 O ATOM 647 ND2 ASN A 59 13.264 1.893 -1.142 1.00 0.00 N ATOM 0 H ASN A 59 10.797 -0.053 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 59 11.913 1.676 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.120 0.767 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.637 -0.098 -2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.687 2.689 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.185 0.995 -0.664 1.00 0.00 H new ATOM 654 N LYS A 60 14.084 -0.493 -5.634 1.00 0.00 N ATOM 655 CA LYS A 60 15.442 -0.726 -6.104 1.00 0.00 C ATOM 656 C LYS A 60 15.490 -0.654 -7.625 1.00 0.00 C ATOM 657 O LYS A 60 16.265 0.108 -8.203 1.00 0.00 O ATOM 658 CB LYS A 60 15.916 -2.100 -5.626 1.00 0.00 C ATOM 659 CG LYS A 60 17.373 -2.414 -5.932 1.00 0.00 C ATOM 660 CD LYS A 60 17.778 -3.753 -5.334 1.00 0.00 C ATOM 661 CE LYS A 60 19.218 -4.108 -5.665 1.00 0.00 C ATOM 662 NZ LYS A 60 19.649 -5.359 -4.985 1.00 0.00 N ATOM 0 H LYS A 60 13.429 -1.243 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 60 16.100 0.043 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 60 15.763 -2.167 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.290 -2.865 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.526 -2.432 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.011 -1.625 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.651 -3.721 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.116 -4.533 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.325 -4.225 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.872 -3.289 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.637 -5.568 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.571 -5.239 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.041 -6.146 -5.288 1.00 0.00 H new ATOM 676 N ALA A 61 14.645 -1.452 -8.258 1.00 0.00 N ATOM 677 CA ALA A 61 14.569 -1.514 -9.713 1.00 0.00 C ATOM 678 C ALA A 61 13.313 -0.819 -10.237 1.00 0.00 C ATOM 679 O ALA A 61 12.881 -1.055 -11.367 1.00 0.00 O ATOM 680 CB ALA A 61 14.612 -2.965 -10.176 1.00 0.00 C ATOM 0 H ALA A 61 13.993 -2.075 -7.781 1.00 0.00 H new ATOM 0 HA ALA A 61 15.431 -0.985 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.555 -3.002 -11.264 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.544 -3.425 -9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.768 -3.508 -9.750 1.00 0.00 H new ATOM 686 N ILE A 62 12.730 0.046 -9.416 1.00 0.00 N ATOM 687 CA ILE A 62 11.561 0.814 -9.830 1.00 0.00 C ATOM 688 C ILE A 62 11.988 2.121 -10.468 1.00 0.00 C ATOM 689 O ILE A 62 12.778 2.881 -9.908 1.00 0.00 O ATOM 690 CB ILE A 62 10.585 1.086 -8.652 1.00 0.00 C ATOM 691 CG1 ILE A 62 9.944 -0.221 -8.176 1.00 0.00 C ATOM 692 CG2 ILE A 62 9.508 2.090 -9.053 1.00 0.00 C ATOM 693 CD1 ILE A 62 9.108 -0.915 -9.232 1.00 0.00 C ATOM 0 H ILE A 62 13.045 0.233 -8.464 1.00 0.00 H new ATOM 0 HA ILE A 62 11.024 0.211 -10.563 1.00 0.00 H new ATOM 0 HB ILE A 62 11.159 1.515 -7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.730 -0.900 -7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.317 -0.012 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.839 2.262 -8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.977 3.031 -9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.938 1.696 -9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.688 -1.832 -8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.299 -0.256 -9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.734 -1.157 -10.091 1.00 0.00 H new ATOM 705 N THR A 63 11.459 2.348 -11.655 1.00 0.00 N ATOM 706 CA THR A 63 11.781 3.509 -12.449 1.00 0.00 C ATOM 707 C THR A 63 11.397 4.806 -11.734 1.00 0.00 C ATOM 708 O THR A 63 10.386 4.865 -11.027 1.00 0.00 O ATOM 709 CB THR A 63 11.047 3.423 -13.795 1.00 0.00 C ATOM 710 OG1 THR A 63 11.078 2.070 -14.276 1.00 0.00 O ATOM 711 CG2 THR A 63 11.701 4.328 -14.811 1.00 0.00 C ATOM 0 H THR A 63 10.786 1.722 -12.097 1.00 0.00 H new ATOM 0 HA THR A 63 12.859 3.524 -12.609 1.00 0.00 H new ATOM 0 HB THR A 63 10.014 3.740 -13.650 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.608 2.017 -15.134 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.169 4.255 -15.759 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.669 5.358 -14.455 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.738 4.026 -14.953 1.00 0.00 H new ATOM 719 N GLY A 64 12.214 5.840 -11.929 1.00 0.00 N ATOM 720 CA GLY A 64 11.966 7.131 -11.312 1.00 0.00 C ATOM 721 C GLY A 64 10.637 7.731 -11.727 1.00 0.00 C ATOM 722 O GLY A 64 10.059 8.532 -10.994 1.00 0.00 O ATOM 0 H GLY A 64 13.052 5.804 -12.510 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.988 7.021 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.769 7.817 -11.579 1.00 0.00 H new ATOM 726 N THR A 65 10.152 7.333 -12.901 1.00 0.00 N ATOM 727 CA THR A 65 8.855 7.777 -13.397 1.00 0.00 C ATOM 728 C THR A 65 7.751 7.454 -12.389 1.00 0.00 C ATOM 729 O THR A 65 6.859 8.262 -12.141 1.00 0.00 O ATOM 730 CB THR A 65 8.523 7.101 -14.743 1.00 0.00 C ATOM 731 OG1 THR A 65 9.684 7.107 -15.585 1.00 0.00 O ATOM 732 CG2 THR A 65 7.383 7.819 -15.450 1.00 0.00 C ATOM 0 H THR A 65 10.644 6.698 -13.530 1.00 0.00 H new ATOM 0 HA THR A 65 8.909 8.856 -13.540 1.00 0.00 H new ATOM 0 HB THR A 65 8.214 6.075 -14.542 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.471 6.676 -16.439 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.170 7.321 -16.396 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.493 7.797 -14.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.667 8.854 -15.641 1.00 0.00 H new ATOM 740 N MET A 66 7.837 6.275 -11.792 1.00 0.00 N ATOM 741 CA MET A 66 6.834 5.832 -10.835 1.00 0.00 C ATOM 742 C MET A 66 7.145 6.352 -9.437 1.00 0.00 C ATOM 743 O MET A 66 6.350 7.086 -8.857 1.00 0.00 O ATOM 744 CB MET A 66 6.738 4.300 -10.810 1.00 0.00 C ATOM 745 CG MET A 66 6.274 3.681 -12.127 1.00 0.00 C ATOM 746 SD MET A 66 7.504 3.795 -13.446 1.00 0.00 S ATOM 747 CE MET A 66 6.602 3.047 -14.803 1.00 0.00 C ATOM 0 H MET A 66 8.591 5.607 -11.953 1.00 0.00 H new ATOM 0 HA MET A 66 5.874 6.239 -11.154 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.715 3.890 -10.553 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.049 4.003 -10.019 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.027 2.633 -11.960 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.358 4.176 -12.450 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.279 2.879 -15.641 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.181 2.095 -14.479 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.797 3.712 -15.115 1.00 0.00 H new ATOM 757 N THR A 67 8.315 5.995 -8.915 1.00 0.00 N ATOM 758 CA THR A 67 8.664 6.319 -7.532 1.00 0.00 C ATOM 759 C THR A 67 8.823 7.827 -7.330 1.00 0.00 C ATOM 760 O THR A 67 8.299 8.387 -6.364 1.00 0.00 O ATOM 761 CB THR A 67 9.949 5.577 -7.077 1.00 0.00 C ATOM 762 OG1 THR A 67 10.284 5.935 -5.730 1.00 0.00 O ATOM 763 CG2 THR A 67 11.126 5.881 -7.991 1.00 0.00 C ATOM 0 H THR A 67 9.036 5.484 -9.425 1.00 0.00 H new ATOM 0 HA THR A 67 7.836 5.977 -6.911 1.00 0.00 H new ATOM 0 HB THR A 67 9.742 4.508 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.464 6.130 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.007 5.344 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.889 5.565 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.327 6.952 -7.982 1.00 0.00 H new ATOM 771 N GLY A 68 9.507 8.487 -8.256 1.00 0.00 N ATOM 772 CA GLY A 68 9.782 9.902 -8.109 1.00 0.00 C ATOM 773 C GLY A 68 8.520 10.738 -8.107 1.00 0.00 C ATOM 774 O GLY A 68 8.316 11.559 -7.211 1.00 0.00 O ATOM 0 H GLY A 68 9.877 8.066 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.327 10.069 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.430 10.230 -8.922 1.00 0.00 H new ATOM 778 N ILE A 69 7.661 10.518 -9.092 1.00 0.00 N ATOM 779 CA ILE A 69 6.427 11.280 -9.204 1.00 0.00 C ATOM 780 C ILE A 69 5.474 10.935 -8.058 1.00 0.00 C ATOM 781 O ILE A 69 4.834 11.822 -7.490 1.00 0.00 O ATOM 782 CB ILE A 69 5.730 11.035 -10.561 1.00 0.00 C ATOM 783 CG1 ILE A 69 6.655 11.433 -11.719 1.00 0.00 C ATOM 784 CG2 ILE A 69 4.416 11.803 -10.634 1.00 0.00 C ATOM 785 CD1 ILE A 69 6.037 11.242 -13.092 1.00 0.00 C ATOM 0 H ILE A 69 7.796 9.820 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 69 6.690 12.336 -9.143 1.00 0.00 H new ATOM 0 HB ILE A 69 5.509 9.971 -10.648 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.939 12.479 -11.601 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.571 10.845 -11.658 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.940 11.618 -11.597 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.756 11.471 -9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.612 12.870 -10.525 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.751 11.545 -13.858 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.778 10.192 -13.232 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.137 11.851 -13.174 1.00 0.00 H new ATOM 797 N ALA A 70 5.404 9.652 -7.706 1.00 0.00 N ATOM 798 CA ALA A 70 4.532 9.200 -6.623 1.00 0.00 C ATOM 799 C ALA A 70 4.834 9.947 -5.333 1.00 0.00 C ATOM 800 O ALA A 70 3.952 10.585 -4.750 1.00 0.00 O ATOM 801 CB ALA A 70 4.671 7.703 -6.396 1.00 0.00 C ATOM 0 H ALA A 70 5.940 8.908 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 70 3.505 9.413 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.011 7.395 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.399 7.170 -7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.703 7.469 -6.133 1.00 0.00 H new ATOM 807 N PHE A 71 6.088 9.879 -4.901 1.00 0.00 N ATOM 808 CA PHE A 71 6.505 10.541 -3.677 1.00 0.00 C ATOM 809 C PHE A 71 6.314 12.048 -3.772 1.00 0.00 C ATOM 810 O PHE A 71 5.799 12.657 -2.854 1.00 0.00 O ATOM 811 CB PHE A 71 7.947 10.183 -3.314 1.00 0.00 C ATOM 812 CG PHE A 71 8.062 8.829 -2.671 1.00 0.00 C ATOM 813 CD1 PHE A 71 7.744 8.658 -1.333 1.00 0.00 C ATOM 814 CD2 PHE A 71 8.474 7.728 -3.402 1.00 0.00 C ATOM 815 CE1 PHE A 71 7.834 7.415 -0.737 1.00 0.00 C ATOM 816 CE2 PHE A 71 8.569 6.482 -2.811 1.00 0.00 C ATOM 817 CZ PHE A 71 8.247 6.325 -1.476 1.00 0.00 C ATOM 0 H PHE A 71 6.831 9.372 -5.382 1.00 0.00 H new ATOM 0 HA PHE A 71 5.866 10.179 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.561 10.207 -4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.345 10.938 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.422 9.507 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.724 7.844 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.581 7.296 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.895 5.632 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.318 5.352 -1.013 1.00 0.00 H new ATOM 827 N SER A 72 6.690 12.647 -4.891 1.00 0.00 N ATOM 828 CA SER A 72 6.528 14.086 -5.069 1.00 0.00 C ATOM 829 C SER A 72 5.065 14.521 -4.899 1.00 0.00 C ATOM 830 O SER A 72 4.792 15.655 -4.503 1.00 0.00 O ATOM 831 CB SER A 72 7.051 14.501 -6.443 1.00 0.00 C ATOM 832 OG SER A 72 8.411 14.129 -6.598 1.00 0.00 O ATOM 0 H SER A 72 7.107 12.165 -5.687 1.00 0.00 H new ATOM 0 HA SER A 72 7.108 14.587 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.450 14.033 -7.222 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.948 15.579 -6.566 1.00 0.00 H new ATOM 0 HG SER A 72 8.467 13.174 -6.812 1.00 0.00 H new ATOM 838 N LYS A 73 4.128 13.623 -5.188 1.00 0.00 N ATOM 839 CA LYS A 73 2.712 13.931 -5.049 1.00 0.00 C ATOM 840 C LYS A 73 2.227 13.742 -3.610 1.00 0.00 C ATOM 841 O LYS A 73 1.291 14.412 -3.176 1.00 0.00 O ATOM 842 CB LYS A 73 1.876 13.060 -5.991 1.00 0.00 C ATOM 843 CG LYS A 73 1.983 13.450 -7.458 1.00 0.00 C ATOM 844 CD LYS A 73 1.022 12.645 -8.324 1.00 0.00 C ATOM 845 CE LYS A 73 1.040 13.120 -9.771 1.00 0.00 C ATOM 846 NZ LYS A 73 0.046 12.397 -10.612 1.00 0.00 N ATOM 0 H LYS A 73 4.325 12.679 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 73 2.585 14.980 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.186 12.021 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.831 13.115 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.770 14.513 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.005 13.292 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.292 11.590 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.012 12.732 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.832 14.189 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.038 12.977 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.423 12.283 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.141 11.460 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.839 12.942 -10.649 1.00 0.00 H new ATOM 860 N VAL A 74 2.854 12.830 -2.876 1.00 0.00 N ATOM 861 CA VAL A 74 2.413 12.496 -1.527 1.00 0.00 C ATOM 862 C VAL A 74 3.259 13.195 -0.456 1.00 0.00 C ATOM 863 O VAL A 74 2.729 13.675 0.548 1.00 0.00 O ATOM 864 CB VAL A 74 2.437 10.965 -1.330 1.00 0.00 C ATOM 865 CG1 VAL A 74 1.501 10.305 -2.326 1.00 0.00 C ATOM 866 CG2 VAL A 74 3.843 10.400 -1.471 1.00 0.00 C ATOM 0 H VAL A 74 3.671 12.308 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 74 1.391 12.857 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 74 2.100 10.750 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.521 9.225 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.487 10.673 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.822 10.543 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.817 9.320 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.227 10.623 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.493 10.852 -0.722 1.00 0.00 H new ATOM 876 N THR A 75 4.560 13.258 -0.700 1.00 0.00 N ATOM 877 CA THR A 75 5.529 13.878 0.191 1.00 0.00 C ATOM 878 C THR A 75 6.938 13.629 -0.356 1.00 0.00 C ATOM 879 O THR A 75 7.397 12.488 -0.414 1.00 0.00 O ATOM 880 CB THR A 75 5.424 13.359 1.651 1.00 0.00 C ATOM 881 OG1 THR A 75 6.447 13.955 2.460 1.00 0.00 O ATOM 882 CG2 THR A 75 5.531 11.840 1.727 1.00 0.00 C ATOM 0 H THR A 75 4.981 12.870 -1.544 1.00 0.00 H new ATOM 0 HA THR A 75 5.313 14.946 0.225 1.00 0.00 H new ATOM 0 HB THR A 75 4.441 13.644 2.027 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.372 13.623 3.379 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.452 11.521 2.766 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.726 11.389 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.492 11.522 1.322 1.00 0.00 H new ATOM 890 N GLY A 76 7.579 14.697 -0.832 1.00 0.00 N ATOM 891 CA GLY A 76 8.942 14.601 -1.336 1.00 0.00 C ATOM 892 C GLY A 76 9.854 13.788 -0.431 1.00 0.00 C ATOM 893 O GLY A 76 10.398 12.768 -0.860 1.00 0.00 O ATOM 0 H GLY A 76 7.175 15.633 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.926 14.148 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.353 15.604 -1.450 1.00 0.00 H new ATOM 987 N THR A 82 0.875 11.250 5.959 1.00 0.00 N ATOM 988 CA THR A 82 -0.471 10.998 6.471 1.00 0.00 C ATOM 989 C THR A 82 -1.241 10.093 5.502 1.00 0.00 C ATOM 990 O THR A 82 -0.688 9.642 4.503 1.00 0.00 O ATOM 991 CB THR A 82 -1.250 12.327 6.683 1.00 0.00 C ATOM 992 OG1 THR A 82 -2.526 12.078 7.289 1.00 0.00 O ATOM 993 CG2 THR A 82 -1.452 13.065 5.365 1.00 0.00 C ATOM 0 HA THR A 82 -0.377 10.500 7.436 1.00 0.00 H new ATOM 0 HB THR A 82 -0.652 12.951 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.229 12.140 6.609 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.000 13.990 5.546 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.482 13.298 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.019 12.436 4.679 1.00 0.00 H new ATOM 1001 N PHE A 83 -2.515 9.846 5.796 1.00 0.00 N ATOM 1002 CA PHE A 83 -3.349 8.984 4.966 1.00 0.00 C ATOM 1003 C PHE A 83 -3.519 9.563 3.565 1.00 0.00 C ATOM 1004 O PHE A 83 -3.640 8.817 2.598 1.00 0.00 O ATOM 1005 CB PHE A 83 -4.717 8.762 5.611 1.00 0.00 C ATOM 1006 CG PHE A 83 -5.629 7.886 4.796 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -5.335 6.544 4.606 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -6.775 8.405 4.214 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -6.168 5.739 3.855 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -7.609 7.604 3.462 1.00 0.00 C ATOM 1011 CZ PHE A 83 -7.305 6.269 3.283 1.00 0.00 C ATOM 0 H PHE A 83 -2.994 10.234 6.609 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.843 8.022 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.578 8.313 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.198 9.728 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.445 6.124 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -7.018 9.448 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.929 4.695 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.499 8.021 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.958 5.640 2.695 1.00 0.00 H new ATOM 1021 N ASP A 84 -3.542 10.892 3.467 1.00 0.00 N ATOM 1022 CA ASP A 84 -3.601 11.565 2.167 1.00 0.00 C ATOM 1023 C ASP A 84 -2.475 11.058 1.275 1.00 0.00 C ATOM 1024 O ASP A 84 -2.676 10.748 0.100 1.00 0.00 O ATOM 1025 CB ASP A 84 -3.494 13.084 2.348 1.00 0.00 C ATOM 1026 CG ASP A 84 -3.338 13.824 1.036 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -4.334 13.945 0.290 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -2.222 14.309 0.753 1.00 0.00 O ATOM 0 H ASP A 84 -3.521 11.523 4.268 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.557 11.342 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.385 13.447 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.642 13.309 2.990 1.00 0.00 H new ATOM 1033 N GLU A 85 -1.296 10.950 1.867 1.00 0.00 N ATOM 1034 CA GLU A 85 -0.154 10.326 1.225 1.00 0.00 C ATOM 1035 C GLU A 85 -0.484 8.883 0.862 1.00 0.00 C ATOM 1036 O GLU A 85 -0.516 8.527 -0.310 1.00 0.00 O ATOM 1037 CB GLU A 85 1.039 10.389 2.183 1.00 0.00 C ATOM 1038 CG GLU A 85 2.129 9.364 1.933 1.00 0.00 C ATOM 1039 CD GLU A 85 2.282 8.419 3.111 1.00 0.00 C ATOM 1040 OE1 GLU A 85 2.869 8.834 4.131 1.00 0.00 O ATOM 1041 OE2 GLU A 85 1.780 7.278 3.026 1.00 0.00 O ATOM 0 H GLU A 85 -1.106 11.294 2.808 1.00 0.00 H new ATOM 0 HA GLU A 85 0.095 10.854 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.479 11.384 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.672 10.263 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.894 8.793 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.075 9.874 1.749 1.00 0.00 H new ATOM 1048 N THR A 86 -0.784 8.091 1.882 1.00 0.00 N ATOM 1049 CA THR A 86 -1.019 6.661 1.741 1.00 0.00 C ATOM 1050 C THR A 86 -2.021 6.332 0.629 1.00 0.00 C ATOM 1051 O THR A 86 -1.756 5.479 -0.225 1.00 0.00 O ATOM 1052 CB THR A 86 -1.515 6.092 3.077 1.00 0.00 C ATOM 1053 OG1 THR A 86 -0.607 6.462 4.123 1.00 0.00 O ATOM 1054 CG2 THR A 86 -1.630 4.582 3.019 1.00 0.00 C ATOM 0 H THR A 86 -0.872 8.427 2.841 1.00 0.00 H new ATOM 0 HA THR A 86 -0.072 6.200 1.460 1.00 0.00 H new ATOM 0 HB THR A 86 -2.504 6.505 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.281 6.628 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.984 4.207 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.336 4.301 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.653 4.151 2.798 1.00 0.00 H new ATOM 1062 N LYS A 87 -3.161 7.019 0.625 1.00 0.00 N ATOM 1063 CA LYS A 87 -4.199 6.761 -0.368 1.00 0.00 C ATOM 1064 C LYS A 87 -3.703 7.106 -1.769 1.00 0.00 C ATOM 1065 O LYS A 87 -4.029 6.415 -2.733 1.00 0.00 O ATOM 1066 CB LYS A 87 -5.484 7.537 -0.037 1.00 0.00 C ATOM 1067 CG LYS A 87 -5.301 9.047 0.032 1.00 0.00 C ATOM 1068 CD LYS A 87 -6.546 9.748 0.560 1.00 0.00 C ATOM 1069 CE LYS A 87 -7.682 9.739 -0.449 1.00 0.00 C ATOM 1070 NZ LYS A 87 -7.358 10.531 -1.667 1.00 0.00 N ATOM 0 H LYS A 87 -3.388 7.754 1.294 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.434 5.697 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.238 7.308 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.871 7.185 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.453 9.281 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.063 9.429 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.874 9.260 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.299 10.778 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.904 8.711 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.582 10.142 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.229 10.712 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.929 11.437 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.689 9.999 -2.259 1.00 0.00 H new ATOM 1084 N LYS A 88 -2.904 8.161 -1.880 1.00 0.00 N ATOM 1085 CA LYS A 88 -2.354 8.553 -3.165 1.00 0.00 C ATOM 1086 C LYS A 88 -1.239 7.606 -3.602 1.00 0.00 C ATOM 1087 O LYS A 88 -1.178 7.224 -4.766 1.00 0.00 O ATOM 1088 CB LYS A 88 -1.846 9.995 -3.129 1.00 0.00 C ATOM 1089 CG LYS A 88 -2.959 11.030 -3.084 1.00 0.00 C ATOM 1090 CD LYS A 88 -2.419 12.448 -3.188 1.00 0.00 C ATOM 1091 CE LYS A 88 -1.564 12.818 -1.988 1.00 0.00 C ATOM 1092 NZ LYS A 88 -1.175 14.252 -2.010 1.00 0.00 N ATOM 0 H LYS A 88 -2.626 8.755 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.159 8.491 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.205 10.124 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.228 10.176 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.658 10.847 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.518 10.922 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.828 12.546 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.250 13.148 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.113 12.604 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.668 12.198 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.163 14.334 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.733 14.752 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.356 14.675 -1.077 1.00 0.00 H new ATOM 1106 N VAL A 89 -0.370 7.219 -2.669 1.00 0.00 N ATOM 1107 CA VAL A 89 0.743 6.326 -2.985 1.00 0.00 C ATOM 1108 C VAL A 89 0.228 5.009 -3.553 1.00 0.00 C ATOM 1109 O VAL A 89 0.606 4.608 -4.654 1.00 0.00 O ATOM 1110 CB VAL A 89 1.631 6.014 -1.757 1.00 0.00 C ATOM 1111 CG1 VAL A 89 2.847 5.210 -2.175 1.00 0.00 C ATOM 1112 CG2 VAL A 89 2.076 7.278 -1.047 1.00 0.00 C ATOM 0 H VAL A 89 -0.415 7.509 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 89 1.351 6.852 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 89 1.028 5.430 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.462 4.999 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.525 4.272 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.429 5.781 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.697 7.015 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.650 7.899 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.201 7.830 -0.704 1.00 0.00 H new ATOM 1122 N LEU A 90 -0.653 4.353 -2.803 1.00 0.00 N ATOM 1123 CA LEU A 90 -1.177 3.057 -3.209 1.00 0.00 C ATOM 1124 C LEU A 90 -1.907 3.147 -4.543 1.00 0.00 C ATOM 1125 O LEU A 90 -1.703 2.313 -5.426 1.00 0.00 O ATOM 1126 CB LEU A 90 -2.113 2.484 -2.139 1.00 0.00 C ATOM 1127 CG LEU A 90 -1.454 2.144 -0.797 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -2.425 1.389 0.097 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -0.189 1.328 -1.010 1.00 0.00 C ATOM 0 H LEU A 90 -1.017 4.698 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.326 2.386 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.913 3.202 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.578 1.581 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.182 3.078 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.941 1.156 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.305 2.006 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.727 0.464 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.262 1.098 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.437 0.400 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.516 1.900 -1.613 1.00 0.00 H new ATOM 1141 N ALA A 91 -2.739 4.167 -4.693 1.00 0.00 N ATOM 1142 CA ALA A 91 -3.521 4.333 -5.909 1.00 0.00 C ATOM 1143 C ALA A 91 -2.638 4.680 -7.105 1.00 0.00 C ATOM 1144 O ALA A 91 -2.904 4.246 -8.221 1.00 0.00 O ATOM 1145 CB ALA A 91 -4.590 5.392 -5.708 1.00 0.00 C ATOM 0 H ALA A 91 -2.890 4.890 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.005 3.380 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.167 5.505 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.253 5.090 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.118 6.342 -5.456 1.00 0.00 H new ATOM 1151 N PHE A 92 -1.585 5.454 -6.868 1.00 0.00 N ATOM 1152 CA PHE A 92 -0.677 5.861 -7.936 1.00 0.00 C ATOM 1153 C PHE A 92 0.159 4.680 -8.424 1.00 0.00 C ATOM 1154 O PHE A 92 0.216 4.404 -9.624 1.00 0.00 O ATOM 1155 CB PHE A 92 0.243 6.991 -7.459 1.00 0.00 C ATOM 1156 CG PHE A 92 1.120 7.563 -8.540 1.00 0.00 C ATOM 1157 CD1 PHE A 92 2.339 6.978 -8.850 1.00 0.00 C ATOM 1158 CD2 PHE A 92 0.726 8.689 -9.245 1.00 0.00 C ATOM 1159 CE1 PHE A 92 3.145 7.502 -9.841 1.00 0.00 C ATOM 1160 CE2 PHE A 92 1.530 9.218 -10.237 1.00 0.00 C ATOM 1161 CZ PHE A 92 2.740 8.623 -10.535 1.00 0.00 C ATOM 0 H PHE A 92 -1.338 5.813 -5.946 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.281 6.223 -8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.368 7.791 -7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.874 6.616 -6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.662 6.101 -8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.220 9.158 -9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.091 7.035 -10.072 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.212 10.096 -10.779 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.369 9.035 -11.311 1.00 0.00 H new ATOM 1171 N VAL A 93 0.802 3.986 -7.487 1.00 0.00 N ATOM 1172 CA VAL A 93 1.675 2.866 -7.828 1.00 0.00 C ATOM 1173 C VAL A 93 0.895 1.773 -8.546 1.00 0.00 C ATOM 1174 O VAL A 93 1.341 1.252 -9.568 1.00 0.00 O ATOM 1175 CB VAL A 93 2.365 2.275 -6.577 1.00 0.00 C ATOM 1176 CG1 VAL A 93 3.233 1.079 -6.945 1.00 0.00 C ATOM 1177 CG2 VAL A 93 3.195 3.341 -5.876 1.00 0.00 C ATOM 0 H VAL A 93 0.735 4.179 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 93 2.447 3.254 -8.492 1.00 0.00 H new ATOM 0 HB VAL A 93 1.590 1.930 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.706 0.683 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.613 0.306 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.001 1.391 -7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.674 2.909 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.958 3.715 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.548 4.163 -5.569 1.00 0.00 H new ATOM 1187 N ALA A 94 -0.277 1.443 -8.013 1.00 0.00 N ATOM 1188 CA ALA A 94 -1.142 0.447 -8.633 1.00 0.00 C ATOM 1189 C ALA A 94 -1.585 0.902 -10.017 1.00 0.00 C ATOM 1190 O ALA A 94 -1.651 0.104 -10.953 1.00 0.00 O ATOM 1191 CB ALA A 94 -2.361 0.169 -7.764 1.00 0.00 C ATOM 0 H ALA A 94 -0.649 1.850 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.568 -0.474 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.991 -0.577 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.038 -0.204 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.929 1.090 -7.628 1.00 0.00 H new ATOM 1197 N GLU A 95 -1.891 2.193 -10.129 1.00 0.00 N ATOM 1198 CA GLU A 95 -2.391 2.760 -11.372 1.00 0.00 C ATOM 1199 C GLU A 95 -1.405 2.565 -12.512 1.00 0.00 C ATOM 1200 O GLU A 95 -1.664 1.787 -13.422 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.691 4.251 -11.212 1.00 0.00 C ATOM 1202 CG GLU A 95 -3.264 4.889 -12.467 1.00 0.00 C ATOM 1203 CD GLU A 95 -3.516 6.372 -12.305 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -4.578 6.740 -11.762 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -2.662 7.177 -12.728 1.00 0.00 O ATOM 0 H GLU A 95 -1.800 2.866 -9.368 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.313 2.231 -11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.395 4.386 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.774 4.771 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.576 4.730 -13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.198 4.392 -12.728 1.00 0.00 H new ATOM 1212 N ASP A 96 -0.266 3.247 -12.442 1.00 0.00 N ATOM 1213 CA ASP A 96 0.662 3.301 -13.574 1.00 0.00 C ATOM 1214 C ASP A 96 1.244 1.925 -13.884 1.00 0.00 C ATOM 1215 O ASP A 96 1.497 1.600 -15.046 1.00 0.00 O ATOM 1216 CB ASP A 96 1.790 4.302 -13.317 1.00 0.00 C ATOM 1217 CG ASP A 96 2.336 4.885 -14.611 1.00 0.00 C ATOM 1218 OD1 ASP A 96 1.784 5.907 -15.076 1.00 0.00 O ATOM 1219 OD2 ASP A 96 3.303 4.324 -15.167 1.00 0.00 O ATOM 0 H ASP A 96 0.038 3.768 -11.620 1.00 0.00 H new ATOM 0 HA ASP A 96 0.092 3.635 -14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.422 5.108 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.595 3.809 -12.772 1.00 0.00 H new ATOM 1224 N ARG A 97 1.431 1.114 -12.843 1.00 0.00 N ATOM 1225 CA ARG A 97 1.923 -0.252 -13.011 1.00 0.00 C ATOM 1226 C ARG A 97 1.017 -1.033 -13.960 1.00 0.00 C ATOM 1227 O ARG A 97 1.485 -1.646 -14.927 1.00 0.00 O ATOM 1228 CB ARG A 97 2.003 -0.956 -11.653 1.00 0.00 C ATOM 1229 CG ARG A 97 2.457 -2.404 -11.730 1.00 0.00 C ATOM 1230 CD ARG A 97 2.579 -3.017 -10.347 1.00 0.00 C ATOM 1231 NE ARG A 97 2.978 -4.423 -10.406 1.00 0.00 N ATOM 1232 CZ ARG A 97 4.127 -4.889 -9.920 1.00 0.00 C ATOM 1233 NH1 ARG A 97 5.003 -4.064 -9.362 1.00 0.00 N ATOM 1234 NH2 ARG A 97 4.413 -6.181 -10.003 1.00 0.00 N ATOM 0 H ARG A 97 1.249 1.380 -11.875 1.00 0.00 H new ATOM 0 HA ARG A 97 2.923 -0.210 -13.444 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.690 -0.405 -11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.023 -0.919 -11.178 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.747 -2.979 -12.324 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.418 -2.459 -12.241 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.310 -2.456 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.625 -2.932 -9.827 1.00 0.00 H new ATOM 0 HE ARG A 97 2.339 -5.085 -10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.798 -3.066 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.881 -4.427 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.752 -6.823 -10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.294 -6.533 -9.629 1.00 0.00 H new ATOM 1248 N ALA A 98 -0.279 -0.995 -13.688 1.00 0.00 N ATOM 1249 CA ALA A 98 -1.252 -1.644 -14.547 1.00 0.00 C ATOM 1250 C ALA A 98 -1.449 -0.843 -15.823 1.00 0.00 C ATOM 1251 O ALA A 98 -1.484 -1.397 -16.910 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.576 -1.804 -13.820 1.00 0.00 C ATOM 0 H ALA A 98 -0.679 -0.521 -12.878 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.876 -2.633 -14.810 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.295 -2.292 -14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.430 -2.412 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.954 -0.823 -13.533 1.00 0.00 H new ATOM 1258 N ARG A 99 -1.550 0.465 -15.661 1.00 0.00 N ATOM 1259 CA ARG A 99 -1.791 1.409 -16.754 1.00 0.00 C ATOM 1260 C ARG A 99 -0.912 1.124 -17.969 1.00 0.00 C ATOM 1261 O ARG A 99 -1.406 1.035 -19.093 1.00 0.00 O ATOM 1262 CB ARG A 99 -1.527 2.823 -16.230 1.00 0.00 C ATOM 1263 CG ARG A 99 -1.612 3.943 -17.254 1.00 0.00 C ATOM 1264 CD ARG A 99 -1.041 5.228 -16.662 1.00 0.00 C ATOM 1265 NE ARG A 99 -1.275 6.402 -17.499 1.00 0.00 N ATOM 1266 CZ ARG A 99 -0.677 7.579 -17.303 1.00 0.00 C ATOM 1267 NH1 ARG A 99 0.289 7.707 -16.397 1.00 0.00 N ATOM 1268 NH2 ARG A 99 -1.029 8.621 -18.041 1.00 0.00 N ATOM 0 H ARG A 99 -1.466 0.916 -14.750 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.824 1.305 -17.085 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.241 3.032 -15.433 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.534 2.843 -15.782 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.060 3.669 -18.153 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.649 4.098 -17.552 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.484 5.396 -15.680 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.032 5.105 -16.511 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.931 6.318 -18.275 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.579 6.901 -15.844 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.739 8.611 -16.256 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.752 8.521 -18.753 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.577 9.524 -17.897 1.00 0.00 H new ATOM 1282 N GLN A 100 0.382 0.964 -17.737 1.00 0.00 N ATOM 1283 CA GLN A 100 1.328 0.743 -18.821 1.00 0.00 C ATOM 1284 C GLN A 100 1.210 -0.673 -19.388 1.00 0.00 C ATOM 1285 O GLN A 100 1.252 -0.873 -20.604 1.00 0.00 O ATOM 1286 CB GLN A 100 2.754 0.986 -18.322 1.00 0.00 C ATOM 1287 CG GLN A 100 3.813 0.854 -19.402 1.00 0.00 C ATOM 1288 CD GLN A 100 5.216 1.062 -18.871 1.00 0.00 C ATOM 1289 OE1 GLN A 100 5.716 2.186 -18.828 1.00 0.00 O ATOM 1290 NE2 GLN A 100 5.864 -0.019 -18.467 1.00 0.00 N ATOM 0 H GLN A 100 0.802 0.983 -16.807 1.00 0.00 H new ATOM 0 HA GLN A 100 1.094 1.446 -19.621 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.812 1.985 -17.890 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.974 0.279 -17.522 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.743 -0.135 -19.855 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.615 1.581 -20.190 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.414 -0.933 -18.519 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.814 0.062 -18.103 1.00 0.00 H new ATOM 1299 N SER A 101 1.032 -1.647 -18.506 1.00 0.00 N ATOM 1300 CA SER A 101 1.109 -3.051 -18.894 1.00 0.00 C ATOM 1301 C SER A 101 -0.263 -3.637 -19.247 1.00 0.00 C ATOM 1302 O SER A 101 -0.490 -4.077 -20.373 1.00 0.00 O ATOM 1303 CB SER A 101 1.743 -3.854 -17.755 1.00 0.00 C ATOM 1304 OG SER A 101 2.960 -3.256 -17.331 1.00 0.00 O ATOM 0 H SER A 101 0.833 -1.492 -17.518 1.00 0.00 H new ATOM 0 HA SER A 101 1.724 -3.115 -19.792 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.050 -3.912 -16.916 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.931 -4.876 -18.085 1.00 0.00 H new ATOM 0 HG SER A 101 2.791 -2.687 -16.551 1.00 0.00 H new ATOM 1310 N LYS A 102 -1.172 -3.616 -18.287 1.00 0.00 N ATOM 1311 CA LYS A 102 -2.447 -4.314 -18.402 1.00 0.00 C ATOM 1312 C LYS A 102 -3.565 -3.386 -18.868 1.00 0.00 C ATOM 1313 O LYS A 102 -4.379 -3.780 -19.702 1.00 0.00 O ATOM 1314 CB LYS A 102 -2.814 -4.910 -17.044 1.00 0.00 C ATOM 1315 CG LYS A 102 -1.819 -5.948 -16.543 1.00 0.00 C ATOM 1316 CD LYS A 102 -2.092 -6.339 -15.102 1.00 0.00 C ATOM 1317 CE LYS A 102 -1.046 -7.315 -14.584 1.00 0.00 C ATOM 1318 NZ LYS A 102 -1.178 -7.539 -13.121 1.00 0.00 N ATOM 0 H LYS A 102 -1.050 -3.116 -17.406 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.336 -5.100 -19.149 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.887 -4.106 -16.312 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.800 -5.369 -17.113 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.868 -6.834 -17.176 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.807 -5.552 -16.627 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.100 -5.446 -14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.081 -6.790 -15.027 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.145 -8.266 -15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.050 -6.931 -14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.794 -8.474 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.651 -6.804 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.182 -7.496 -12.852 1.00 0.00 H new ATOM 1332 N LYS A 103 -3.561 -2.164 -18.312 1.00 0.00 N ATOM 1333 CA LYS A 103 -4.600 -1.127 -18.486 1.00 0.00 C ATOM 1334 C LYS A 103 -5.524 -1.023 -17.257 1.00 0.00 C ATOM 1335 O LYS A 103 -5.534 0.017 -16.600 1.00 0.00 O ATOM 1336 CB LYS A 103 -5.419 -1.259 -19.783 1.00 0.00 C ATOM 1337 CG LYS A 103 -4.639 -0.910 -21.041 1.00 0.00 C ATOM 1338 CD LYS A 103 -5.539 -0.884 -22.267 1.00 0.00 C ATOM 1339 CE LYS A 103 -6.617 0.180 -22.134 1.00 0.00 C ATOM 1340 NZ LYS A 103 -7.507 0.231 -23.324 1.00 0.00 N ATOM 0 H LYS A 103 -2.804 -1.855 -17.703 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.044 -0.194 -18.580 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.786 -2.282 -19.867 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.293 -0.611 -19.717 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.163 0.063 -20.917 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.842 -1.638 -21.189 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.940 -0.690 -23.157 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.003 -1.861 -22.402 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.214 -0.020 -21.244 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.148 1.154 -21.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.226 0.970 -23.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.943 0.448 -24.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.976 -0.689 -23.447 1.00 0.00 H new ATOM 1354 N PRO A 104 -6.319 -2.067 -16.908 1.00 0.00 N ATOM 1355 CA PRO A 104 -7.212 -2.001 -15.743 1.00 0.00 C ATOM 1356 C PRO A 104 -6.462 -1.924 -14.413 1.00 0.00 C ATOM 1357 O PRO A 104 -5.862 -2.903 -13.962 1.00 0.00 O ATOM 1358 CB PRO A 104 -8.019 -3.298 -15.822 1.00 0.00 C ATOM 1359 CG PRO A 104 -7.175 -4.224 -16.623 1.00 0.00 C ATOM 1360 CD PRO A 104 -6.444 -3.361 -17.608 1.00 0.00 C ATOM 0 HA PRO A 104 -7.823 -1.099 -15.770 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.216 -3.702 -14.829 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -8.986 -3.134 -16.297 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.477 -4.767 -15.986 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.787 -4.968 -17.133 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.468 -3.777 -17.859 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.998 -3.260 -18.542 1.00 0.00 H new ATOM 1368 N ILE A 105 -6.504 -0.752 -13.793 1.00 0.00 N ATOM 1369 CA ILE A 105 -5.868 -0.535 -12.498 1.00 0.00 C ATOM 1370 C ILE A 105 -6.579 -1.335 -11.406 1.00 0.00 C ATOM 1371 O ILE A 105 -5.936 -1.914 -10.529 1.00 0.00 O ATOM 1372 CB ILE A 105 -5.811 0.980 -12.141 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -5.249 1.221 -10.721 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -7.179 1.633 -12.303 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -6.286 1.222 -9.610 1.00 0.00 C ATOM 0 H ILE A 105 -6.976 0.070 -14.169 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.840 -0.893 -12.564 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.123 1.449 -12.844 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.508 0.451 -10.505 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.727 2.178 -10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.110 2.690 -12.047 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.511 1.530 -13.336 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.895 1.146 -11.642 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.794 1.399 -8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.016 2.011 -9.794 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.793 0.257 -9.585 1.00 0.00 H new ATOM 1387 N GLN A 106 -7.907 -1.369 -11.466 1.00 0.00 N ATOM 1388 CA GLN A 106 -8.704 -2.049 -10.450 1.00 0.00 C ATOM 1389 C GLN A 106 -8.300 -3.518 -10.323 1.00 0.00 C ATOM 1390 O GLN A 106 -8.225 -4.052 -9.213 1.00 0.00 O ATOM 1391 CB GLN A 106 -10.197 -1.928 -10.770 1.00 0.00 C ATOM 1392 CG GLN A 106 -11.102 -2.512 -9.694 1.00 0.00 C ATOM 1393 CD GLN A 106 -10.850 -1.900 -8.327 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -11.461 -0.898 -7.958 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -9.944 -2.499 -7.568 1.00 0.00 N ATOM 0 H GLN A 106 -8.454 -0.933 -12.208 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.513 -1.565 -9.493 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.446 -0.876 -10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.399 -2.432 -11.715 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.143 -2.352 -9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.948 -3.590 -9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.459 -3.328 -7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.732 -2.131 -6.641 1.00 0.00 H new ATOM 1404 N ASP A 107 -8.023 -4.159 -11.453 1.00 0.00 N ATOM 1405 CA ASP A 107 -7.592 -5.555 -11.454 1.00 0.00 C ATOM 1406 C ASP A 107 -6.228 -5.701 -10.794 1.00 0.00 C ATOM 1407 O ASP A 107 -5.992 -6.645 -10.042 1.00 0.00 O ATOM 1408 CB ASP A 107 -7.542 -6.119 -12.878 1.00 0.00 C ATOM 1409 CG ASP A 107 -8.917 -6.406 -13.445 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -9.522 -5.495 -14.045 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -9.398 -7.552 -13.301 1.00 0.00 O ATOM 0 H ASP A 107 -8.089 -3.737 -12.379 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.325 -6.124 -10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.027 -5.410 -13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.955 -7.037 -12.880 1.00 0.00 H new ATOM 1416 N GLU A 108 -5.338 -4.754 -11.066 1.00 0.00 N ATOM 1417 CA GLU A 108 -4.006 -4.770 -10.479 1.00 0.00 C ATOM 1418 C GLU A 108 -4.096 -4.615 -8.967 1.00 0.00 C ATOM 1419 O GLU A 108 -3.442 -5.341 -8.224 1.00 0.00 O ATOM 1420 CB GLU A 108 -3.139 -3.657 -11.068 1.00 0.00 C ATOM 1421 CG GLU A 108 -1.672 -3.736 -10.666 1.00 0.00 C ATOM 1422 CD GLU A 108 -0.994 -4.990 -11.184 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -0.633 -5.027 -12.376 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -0.827 -5.949 -10.409 1.00 0.00 O ATOM 0 H GLU A 108 -5.516 -3.966 -11.689 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.542 -5.728 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.210 -3.692 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.540 -2.693 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.147 -2.860 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.594 -3.708 -9.579 1.00 0.00 H new ATOM 1431 N LEU A 109 -4.931 -3.682 -8.508 1.00 0.00 N ATOM 1432 CA LEU A 109 -5.102 -3.471 -7.079 1.00 0.00 C ATOM 1433 C LEU A 109 -5.676 -4.721 -6.433 1.00 0.00 C ATOM 1434 O LEU A 109 -5.247 -5.125 -5.358 1.00 0.00 O ATOM 1435 CB LEU A 109 -6.018 -2.283 -6.786 1.00 0.00 C ATOM 1436 CG LEU A 109 -6.179 -1.969 -5.295 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -4.885 -1.410 -4.722 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -7.333 -1.009 -5.062 1.00 0.00 C ATOM 0 H LEU A 109 -5.491 -3.069 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.119 -3.253 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.624 -1.401 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.001 -2.482 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 109 -6.408 -2.900 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.020 -1.193 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.087 -2.142 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.620 -0.493 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.425 -0.803 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.145 -0.078 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.258 -1.456 -5.426 1.00 0.00 H new ATOM 1450 N ASP A 110 -6.641 -5.335 -7.105 1.00 0.00 N ATOM 1451 CA ASP A 110 -7.251 -6.564 -6.610 1.00 0.00 C ATOM 1452 C ASP A 110 -6.201 -7.661 -6.502 1.00 0.00 C ATOM 1453 O ASP A 110 -6.176 -8.422 -5.534 1.00 0.00 O ATOM 1454 CB ASP A 110 -8.391 -7.005 -7.531 1.00 0.00 C ATOM 1455 CG ASP A 110 -9.110 -8.234 -7.014 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -9.916 -8.102 -6.070 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -8.878 -9.337 -7.556 1.00 0.00 O ATOM 0 H ASP A 110 -7.018 -5.004 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.664 -6.375 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -9.105 -6.188 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.992 -7.212 -8.524 1.00 0.00 H new ATOM 1462 N ALA A 111 -5.320 -7.717 -7.499 1.00 0.00 N ATOM 1463 CA ALA A 111 -4.195 -8.644 -7.491 1.00 0.00 C ATOM 1464 C ALA A 111 -3.275 -8.366 -6.310 1.00 0.00 C ATOM 1465 O ALA A 111 -2.845 -9.287 -5.619 1.00 0.00 O ATOM 1466 CB ALA A 111 -3.417 -8.541 -8.795 1.00 0.00 C ATOM 0 H ALA A 111 -5.367 -7.125 -8.328 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.587 -9.656 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.580 -9.239 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.073 -8.785 -9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.040 -7.525 -8.915 1.00 0.00 H new ATOM 1472 N ILE A 112 -2.975 -7.089 -6.092 1.00 0.00 N ATOM 1473 CA ILE A 112 -2.175 -6.662 -4.951 1.00 0.00 C ATOM 1474 C ILE A 112 -2.844 -7.077 -3.643 1.00 0.00 C ATOM 1475 O ILE A 112 -2.217 -7.692 -2.785 1.00 0.00 O ATOM 1476 CB ILE A 112 -1.969 -5.128 -4.958 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -1.191 -4.701 -6.206 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -1.250 -4.668 -3.694 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -1.076 -3.200 -6.364 1.00 0.00 C ATOM 0 H ILE A 112 -3.278 -6.326 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.202 -7.148 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.949 -4.652 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.190 -5.131 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.680 -5.114 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.118 -3.586 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.843 -4.937 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.275 -5.151 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.513 -2.971 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.073 -2.764 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -0.560 -2.782 -5.500 1.00 0.00 H new ATOM 1491 N THR A 113 -4.131 -6.768 -3.529 1.00 0.00 N ATOM 1492 CA THR A 113 -4.895 -7.025 -2.313 1.00 0.00 C ATOM 1493 C THR A 113 -4.858 -8.510 -1.927 1.00 0.00 C ATOM 1494 O THR A 113 -4.572 -8.853 -0.778 1.00 0.00 O ATOM 1495 CB THR A 113 -6.358 -6.557 -2.486 1.00 0.00 C ATOM 1496 OG1 THR A 113 -6.381 -5.226 -3.012 1.00 0.00 O ATOM 1497 CG2 THR A 113 -7.103 -6.568 -1.165 1.00 0.00 C ATOM 0 H THR A 113 -4.674 -6.333 -4.275 1.00 0.00 H new ATOM 0 HA THR A 113 -4.432 -6.457 -1.506 1.00 0.00 H new ATOM 0 HB THR A 113 -6.848 -7.248 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.317 -5.259 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.128 -6.234 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.110 -7.580 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.607 -5.899 -0.462 1.00 0.00 H new ATOM 1505 N GLU A 114 -5.123 -9.386 -2.891 1.00 0.00 N ATOM 1506 CA GLU A 114 -5.094 -10.827 -2.640 1.00 0.00 C ATOM 1507 C GLU A 114 -3.661 -11.317 -2.423 1.00 0.00 C ATOM 1508 O GLU A 114 -3.412 -12.176 -1.576 1.00 0.00 O ATOM 1509 CB GLU A 114 -5.782 -11.603 -3.779 1.00 0.00 C ATOM 1510 CG GLU A 114 -5.158 -11.408 -5.154 1.00 0.00 C ATOM 1511 CD GLU A 114 -4.244 -12.551 -5.569 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -3.814 -13.328 -4.697 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -3.954 -12.681 -6.780 1.00 0.00 O ATOM 0 H GLU A 114 -5.359 -9.128 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 114 -5.654 -11.019 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.767 -12.666 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.828 -11.301 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.952 -11.300 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.590 -10.478 -5.159 1.00 0.00 H new ATOM 1520 N LYS A 115 -2.725 -10.768 -3.195 1.00 0.00 N ATOM 1521 CA LYS A 115 -1.321 -11.153 -3.103 1.00 0.00 C ATOM 1522 C LYS A 115 -0.782 -10.889 -1.703 1.00 0.00 C ATOM 1523 O LYS A 115 -0.066 -11.711 -1.144 1.00 0.00 O ATOM 1524 CB LYS A 115 -0.493 -10.380 -4.136 1.00 0.00 C ATOM 1525 CG LYS A 115 0.950 -10.848 -4.254 1.00 0.00 C ATOM 1526 CD LYS A 115 1.061 -12.288 -4.753 1.00 0.00 C ATOM 1527 CE LYS A 115 0.578 -12.452 -6.192 1.00 0.00 C ATOM 1528 NZ LYS A 115 -0.906 -12.480 -6.294 1.00 0.00 N ATOM 0 H LYS A 115 -2.917 -10.051 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 115 -1.243 -12.220 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.973 -10.469 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.500 -9.322 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.487 -10.189 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 115 1.436 -10.766 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 115 2.099 -12.613 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.478 -12.940 -4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.965 -11.633 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 115 0.985 -13.375 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.196 -13.251 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.316 -12.636 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.245 -11.573 -6.673 1.00 0.00 H new ATOM 1542 N LEU A 116 -1.148 -9.744 -1.140 1.00 0.00 N ATOM 1543 CA LEU A 116 -0.719 -9.366 0.207 1.00 0.00 C ATOM 1544 C LEU A 116 -1.186 -10.384 1.239 1.00 0.00 C ATOM 1545 O LEU A 116 -0.463 -10.697 2.184 1.00 0.00 O ATOM 1546 CB LEU A 116 -1.266 -7.991 0.561 1.00 0.00 C ATOM 1547 CG LEU A 116 -0.705 -6.844 -0.278 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -1.585 -5.611 -0.163 1.00 0.00 C ATOM 1549 CD2 LEU A 116 0.718 -6.525 0.156 1.00 0.00 C ATOM 0 H LEU A 116 -1.745 -9.055 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 116 0.371 -9.340 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.350 -8.007 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.056 -7.791 1.612 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.692 -7.155 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.166 -4.807 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.589 -5.846 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.632 -5.294 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.108 -5.706 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.721 -6.234 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.346 -7.406 0.022 1.00 0.00 H new ATOM 1561 N ALA A 117 -2.400 -10.891 1.046 1.00 0.00 N ATOM 1562 CA ALA A 117 -2.954 -11.931 1.908 1.00 0.00 C ATOM 1563 C ALA A 117 -2.089 -13.188 1.848 1.00 0.00 C ATOM 1564 O ALA A 117 -1.875 -13.869 2.851 1.00 0.00 O ATOM 1565 CB ALA A 117 -4.388 -12.243 1.494 1.00 0.00 C ATOM 0 H ALA A 117 -3.023 -10.596 0.294 1.00 0.00 H new ATOM 0 HA ALA A 117 -2.960 -11.571 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.793 -13.020 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -4.996 -11.343 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.401 -12.590 0.461 1.00 0.00 H new ATOM 1571 N LYS A 118 -1.589 -13.481 0.657 1.00 0.00 N ATOM 1572 CA LYS A 118 -0.728 -14.634 0.449 1.00 0.00 C ATOM 1573 C LYS A 118 0.704 -14.330 0.881 1.00 0.00 C ATOM 1574 O LYS A 118 1.507 -15.241 1.078 1.00 0.00 O ATOM 1575 CB LYS A 118 -0.755 -15.059 -1.023 1.00 0.00 C ATOM 1576 CG LYS A 118 -2.125 -15.512 -1.506 1.00 0.00 C ATOM 1577 CD LYS A 118 -2.567 -16.800 -0.824 1.00 0.00 C ATOM 1578 CE LYS A 118 -1.700 -17.985 -1.233 1.00 0.00 C ATOM 1579 NZ LYS A 118 -2.120 -19.238 -0.553 1.00 0.00 N ATOM 0 H LYS A 118 -1.766 -12.932 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 118 -1.104 -15.453 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -0.421 -14.224 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -0.042 -15.870 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.857 -14.728 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.099 -15.663 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.521 -16.673 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.607 -17.006 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.757 -18.121 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -0.658 -17.773 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.506 -20.021 -0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.042 -19.117 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.106 -19.454 -0.802 1.00 0.00 H new ATOM 1593 N LEU A 119 1.029 -13.048 1.030 1.00 0.00 N ATOM 1594 CA LEU A 119 2.376 -12.653 1.427 1.00 0.00 C ATOM 1595 C LEU A 119 2.439 -12.352 2.919 1.00 0.00 C ATOM 1596 O LEU A 119 3.413 -11.762 3.386 1.00 0.00 O ATOM 1597 CB LEU A 119 2.827 -11.419 0.638 1.00 0.00 C ATOM 1598 CG LEU A 119 2.934 -11.608 -0.877 1.00 0.00 C ATOM 1599 CD1 LEU A 119 3.325 -10.299 -1.541 1.00 0.00 C ATOM 1600 CD2 LEU A 119 3.937 -12.701 -1.213 1.00 0.00 C ATOM 0 H LEU A 119 0.384 -12.272 0.883 1.00 0.00 H new ATOM 0 HA LEU A 119 3.045 -13.486 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.128 -10.607 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.799 -11.103 1.017 1.00 0.00 H new ATOM 0 HG LEU A 119 1.960 -11.915 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.398 -10.445 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 119 2.569 -9.543 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.289 -9.968 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.998 -12.819 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.917 -12.428 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.616 -13.640 -0.763 1.00 0.00 H new ATOM 1612 N GLU A 120 1.410 -12.808 3.648 1.00 0.00 N ATOM 1613 CA GLU A 120 1.297 -12.643 5.104 1.00 0.00 C ATOM 1614 C GLU A 120 1.893 -11.318 5.597 1.00 0.00 C ATOM 1615 O GLU A 120 2.986 -11.276 6.170 1.00 0.00 O ATOM 1616 CB GLU A 120 1.902 -13.853 5.845 1.00 0.00 C ATOM 1617 CG GLU A 120 3.337 -14.183 5.462 1.00 0.00 C ATOM 1618 CD GLU A 120 3.781 -15.537 5.974 1.00 0.00 C ATOM 1619 OE1 GLU A 120 4.065 -15.657 7.186 1.00 0.00 O ATOM 1620 OE2 GLU A 120 3.860 -16.485 5.161 1.00 0.00 O ATOM 0 H GLU A 120 0.622 -13.309 3.237 1.00 0.00 H new ATOM 0 HA GLU A 120 0.233 -12.602 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.862 -13.662 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.279 -14.727 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.434 -14.160 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.000 -13.414 5.858 1.00 0.00 H new