USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 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 28 TYR OH : rot 180:sc= 0.904 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -113:sc= 1.56 (180deg=-0.425) USER MOD Set 2.1: A 29 SER OG : rot -44:sc= 0.0181 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -3.53 K(o=-3.5,f=-4.1) USER MOD Single : A 1 SER N :NH3+ -115:sc= 1.23 (180deg=-0.083) USER MOD Single : A 1 SER OG : rot -118:sc= 0.448 USER MOD Single : A 2 GLN : amide:sc= -0.946! K(o=-0.95!,f=-0.00091) USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= -2.79! (180deg=-6.97!) USER MOD Single : A 13 LYS NZ :NH3+ -98:sc= 1.24 (180deg=0.0576) USER MOD Single : A 14 HIS : no HE2:sc= 0.0705 K(o=0.07,f=-6.9!) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.624! (180deg=-0.831!) USER MOD Single : A 17 THR OG1 : rot 101:sc= 1.12 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0366) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.188 (180deg=-0.807) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.91 K(o=-1.9,f=-3.9) USER MOD Single : A 35 THR OG1 : rot -70:sc= 0.469 USER MOD Single : A 40 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.52) USER MOD Single : A 41 THR OG1 : rot -83:sc= -0.0365 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -132:sc= -2.79! (180deg=-5.56!) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0433 (180deg=-0.365) USER MOD Single : A 59 ASN : amide:sc= -3.14 X(o=-3.1,f=-3.1) USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= -0.237 (180deg=-1.74!) USER MOD Single : A 64 THR OG1 : rot 95:sc= 0.0216 USER MOD Single : A 65 SER OG : rot 150:sc= 0.611 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.168) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= -3.56! (180deg=-5.46!) USER MOD Single : A 73 TYR OH : rot -90:sc= -1.37 USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= 0.903 (180deg=0.0971) USER MOD Single : A 81 LYS NZ :NH3+ 150:sc= 0.239 (180deg=-0.31) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.0195 (180deg=-0.351) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0457 (180deg=-0.415) USER MOD Single : A 84 TYR OH : rot -147:sc= 0.821 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.071 5.105 6.705 1.00 8.54 N ATOM 2 CA SER A 1 7.826 6.037 7.857 1.00 7.19 C ATOM 3 C SER A 1 6.487 6.786 7.635 1.00 4.34 C ATOM 4 O SER A 1 5.806 6.435 6.690 1.00 3.75 O ATOM 5 CB SER A 1 9.040 7.037 7.962 1.00 8.58 C ATOM 6 OG SER A 1 8.746 7.967 9.003 1.00 7.27 O ATOM 0 H1 SER A 1 8.050 4.122 7.043 1.00 8.54 H new ATOM 0 H2 SER A 1 7.331 5.239 5.986 1.00 8.54 H new ATOM 0 H3 SER A 1 9.001 5.308 6.286 1.00 8.54 H new ATOM 0 HA SER A 1 7.749 5.485 8.794 1.00 7.19 H new ATOM 0 HB2 SER A 1 9.962 6.498 8.180 1.00 8.58 H new ATOM 0 HB3 SER A 1 9.190 7.557 7.016 1.00 8.58 H new ATOM 0 HG SER A 1 8.694 8.871 8.629 1.00 7.27 H new ATOM 14 N GLN A 2 6.192 7.745 8.482 1.00 3.04 N ATOM 15 CA GLN A 2 4.939 8.621 8.489 1.00 1.15 C ATOM 16 C GLN A 2 4.175 8.642 9.844 1.00 0.85 C ATOM 17 O GLN A 2 4.270 9.635 10.532 1.00 0.81 O ATOM 18 CB GLN A 2 3.879 8.179 7.424 1.00 2.10 C ATOM 19 CG GLN A 2 2.560 9.074 7.493 1.00 4.89 C ATOM 20 CD GLN A 2 2.591 10.258 6.523 1.00 6.47 C ATOM 21 OE1 GLN A 2 2.656 10.081 5.327 1.00 8.10 O ATOM 22 NE2 GLN A 2 2.547 11.482 6.941 1.00 6.22 N ATOM 0 H GLN A 2 6.825 7.985 9.245 1.00 3.04 H new ATOM 0 HA GLN A 2 5.347 9.608 8.270 1.00 1.15 H new ATOM 0 HB2 GLN A 2 4.314 8.250 6.427 1.00 2.10 H new ATOM 0 HB3 GLN A 2 3.617 7.133 7.584 1.00 2.10 H new ATOM 0 HG2 GLN A 2 1.693 8.452 7.271 1.00 4.89 H new ATOM 0 HG3 GLN A 2 2.433 9.447 8.509 1.00 4.89 H new ATOM 0 HE21 GLN A 2 2.492 11.678 7.940 1.00 6.22 H new ATOM 0 HE22 GLN A 2 2.567 12.251 6.271 1.00 6.22 H new ATOM 31 N ALA A 3 3.466 7.594 10.221 1.00 0.94 N ATOM 32 CA ALA A 3 2.709 7.604 11.526 1.00 1.02 C ATOM 33 C ALA A 3 3.496 8.256 12.665 1.00 0.88 C ATOM 34 O ALA A 3 3.036 9.206 13.274 1.00 0.98 O ATOM 35 CB ALA A 3 2.345 6.142 11.861 1.00 1.16 C ATOM 0 H ALA A 3 3.379 6.733 9.682 1.00 0.94 H new ATOM 0 HA ALA A 3 1.811 8.212 11.415 1.00 1.02 H new ATOM 0 HB1 ALA A 3 1.795 6.110 12.802 1.00 1.16 H new ATOM 0 HB2 ALA A 3 1.726 5.730 11.064 1.00 1.16 H new ATOM 0 HB3 ALA A 3 3.257 5.552 11.954 1.00 1.16 H new ATOM 41 N GLU A 4 4.649 7.703 12.931 1.00 0.72 N ATOM 42 CA GLU A 4 5.513 8.269 14.015 1.00 0.79 C ATOM 43 C GLU A 4 5.828 9.684 13.651 1.00 0.79 C ATOM 44 O GLU A 4 5.336 10.553 14.310 1.00 1.48 O ATOM 45 CB GLU A 4 6.777 7.399 14.156 1.00 0.81 C ATOM 46 CG GLU A 4 6.405 5.869 13.952 1.00 1.08 C ATOM 47 CD GLU A 4 4.974 5.456 14.392 1.00 3.99 C ATOM 48 OE1 GLU A 4 4.392 6.056 15.287 1.00 5.55 O ATOM 49 OE2 GLU A 4 4.541 4.516 13.751 1.00 5.29 O ATOM 0 H GLU A 4 5.031 6.889 12.450 1.00 0.72 H new ATOM 0 HA GLU A 4 5.011 8.264 14.983 1.00 0.79 H new ATOM 0 HB2 GLU A 4 7.522 7.702 13.420 1.00 0.81 H new ATOM 0 HB3 GLU A 4 7.222 7.546 15.140 1.00 0.81 H new ATOM 0 HG2 GLU A 4 6.525 5.623 12.897 1.00 1.08 H new ATOM 0 HG3 GLU A 4 7.123 5.263 14.504 1.00 1.08 H new ATOM 56 N PHE A 5 6.628 9.922 12.669 1.00 0.19 N ATOM 57 CA PHE A 5 6.963 11.327 12.235 1.00 0.23 C ATOM 58 C PHE A 5 5.780 12.278 12.503 1.00 0.28 C ATOM 59 O PHE A 5 5.963 13.281 13.154 1.00 0.27 O ATOM 60 CB PHE A 5 7.325 11.271 10.754 1.00 0.22 C ATOM 61 CG PHE A 5 7.597 12.692 10.259 1.00 0.24 C ATOM 62 CD1 PHE A 5 6.552 13.461 9.803 1.00 0.32 C ATOM 63 CD2 PHE A 5 8.869 13.219 10.267 1.00 0.24 C ATOM 64 CE1 PHE A 5 6.761 14.737 9.359 1.00 0.38 C ATOM 65 CE2 PHE A 5 9.088 14.505 9.819 1.00 0.28 C ATOM 66 CZ PHE A 5 8.028 15.265 9.364 1.00 0.36 C ATOM 0 H PHE A 5 7.086 9.194 12.121 1.00 0.19 H new ATOM 0 HA PHE A 5 7.805 11.720 12.805 1.00 0.23 H new ATOM 0 HB2 PHE A 5 8.204 10.644 10.604 1.00 0.22 H new ATOM 0 HB3 PHE A 5 6.512 10.822 10.184 1.00 0.22 H new ATOM 0 HD1 PHE A 5 5.553 13.051 9.796 1.00 0.32 H new ATOM 0 HD2 PHE A 5 9.697 12.624 10.625 1.00 0.24 H new ATOM 0 HE1 PHE A 5 5.930 15.329 9.005 1.00 0.38 H new ATOM 0 HE2 PHE A 5 10.086 14.917 9.824 1.00 0.28 H new ATOM 0 HZ PHE A 5 8.196 16.272 9.013 1.00 0.36 H new ATOM 76 N ASP A 6 4.610 11.970 12.001 1.00 0.32 N ATOM 77 CA ASP A 6 3.421 12.835 12.241 1.00 0.35 C ATOM 78 C ASP A 6 3.302 12.951 13.762 1.00 0.29 C ATOM 79 O ASP A 6 3.218 14.019 14.324 1.00 0.37 O ATOM 80 CB ASP A 6 2.267 12.117 11.596 1.00 0.40 C ATOM 81 CG ASP A 6 2.384 12.045 10.086 1.00 0.35 C ATOM 82 OD1 ASP A 6 3.297 12.598 9.502 1.00 1.69 O ATOM 83 OD2 ASP A 6 1.496 11.397 9.579 1.00 1.69 O ATOM 0 H ASP A 6 4.429 11.145 11.429 1.00 0.32 H new ATOM 0 HA ASP A 6 3.469 13.842 11.826 1.00 0.35 H new ATOM 0 HB2 ASP A 6 2.204 11.106 11.999 1.00 0.40 H new ATOM 0 HB3 ASP A 6 1.338 12.623 11.859 1.00 0.40 H new ATOM 88 N LYS A 7 3.294 11.812 14.394 1.00 0.25 N ATOM 89 CA LYS A 7 3.205 11.754 15.892 1.00 0.19 C ATOM 90 C LYS A 7 4.321 12.700 16.428 1.00 0.06 C ATOM 91 O LYS A 7 4.119 13.345 17.424 1.00 0.30 O ATOM 92 CB LYS A 7 3.488 10.333 16.398 1.00 0.21 C ATOM 93 CG LYS A 7 2.729 10.007 17.723 1.00 0.70 C ATOM 94 CD LYS A 7 1.210 9.672 17.510 1.00 2.82 C ATOM 95 CE LYS A 7 0.994 8.527 16.486 1.00 2.67 C ATOM 96 NZ LYS A 7 1.204 9.095 15.122 1.00 3.92 N ATOM 0 H LYS A 7 3.346 10.902 13.936 1.00 0.25 H new ATOM 0 HA LYS A 7 2.210 12.045 16.228 1.00 0.19 H new ATOM 0 HB2 LYS A 7 3.199 9.614 15.632 1.00 0.21 H new ATOM 0 HB3 LYS A 7 4.560 10.215 16.559 1.00 0.21 H new ATOM 0 HG2 LYS A 7 3.214 9.162 18.211 1.00 0.70 H new ATOM 0 HG3 LYS A 7 2.814 10.858 18.399 1.00 0.70 H new ATOM 0 HD2 LYS A 7 0.766 9.390 18.465 1.00 2.82 H new ATOM 0 HD3 LYS A 7 0.688 10.566 17.167 1.00 2.82 H new ATOM 0 HE2 LYS A 7 1.692 7.710 16.672 1.00 2.67 H new ATOM 0 HE3 LYS A 7 -0.011 8.115 16.579 1.00 2.67 H new ATOM 0 HZ1 LYS A 7 0.447 8.767 14.489 1.00 3.92 H new ATOM 0 HZ2 LYS A 7 1.187 10.134 15.172 1.00 3.92 H new ATOM 0 HZ3 LYS A 7 2.124 8.781 14.753 1.00 3.92 H new ATOM 110 N ALA A 8 5.457 12.776 15.774 1.00 0.31 N ATOM 111 CA ALA A 8 6.545 13.682 16.275 1.00 0.17 C ATOM 112 C ALA A 8 6.097 15.137 16.046 1.00 0.17 C ATOM 113 O ALA A 8 6.000 15.927 16.955 1.00 0.16 O ATOM 114 CB ALA A 8 7.846 13.334 15.507 1.00 0.09 C ATOM 0 H ALA A 8 5.678 12.257 14.924 1.00 0.31 H new ATOM 0 HA ALA A 8 6.737 13.554 17.340 1.00 0.17 H new ATOM 0 HB1 ALA A 8 8.655 13.978 15.851 1.00 0.09 H new ATOM 0 HB2 ALA A 8 8.109 12.292 15.690 1.00 0.09 H new ATOM 0 HB3 ALA A 8 7.690 13.487 14.439 1.00 0.09 H new ATOM 120 N ALA A 9 5.805 15.432 14.821 1.00 0.27 N ATOM 121 CA ALA A 9 5.346 16.798 14.411 1.00 0.32 C ATOM 122 C ALA A 9 4.259 17.256 15.397 1.00 0.32 C ATOM 123 O ALA A 9 4.197 18.392 15.838 1.00 0.24 O ATOM 124 CB ALA A 9 4.801 16.701 13.000 1.00 0.37 C ATOM 0 H ALA A 9 5.864 14.765 14.051 1.00 0.27 H new ATOM 0 HA ALA A 9 6.159 17.523 14.428 1.00 0.32 H new ATOM 0 HB1 ALA A 9 4.458 17.683 12.674 1.00 0.37 H new ATOM 0 HB2 ALA A 9 5.586 16.350 12.330 1.00 0.37 H new ATOM 0 HB3 ALA A 9 3.966 16.000 12.980 1.00 0.37 H new ATOM 130 N GLU A 10 3.435 16.308 15.741 1.00 0.49 N ATOM 131 CA GLU A 10 2.321 16.551 16.672 1.00 0.64 C ATOM 132 C GLU A 10 2.821 16.673 18.110 1.00 0.69 C ATOM 133 O GLU A 10 2.473 17.638 18.751 1.00 0.75 O ATOM 134 CB GLU A 10 1.371 15.388 16.454 1.00 0.72 C ATOM 135 CG GLU A 10 0.133 15.514 17.368 1.00 0.72 C ATOM 136 CD GLU A 10 -1.086 14.968 16.642 1.00 0.65 C ATOM 137 OE1 GLU A 10 -1.530 15.739 15.810 1.00 1.07 O ATOM 138 OE2 GLU A 10 -1.474 13.855 16.945 1.00 0.85 O ATOM 0 H GLU A 10 3.497 15.349 15.400 1.00 0.49 H new ATOM 0 HA GLU A 10 1.812 17.497 16.488 1.00 0.64 H new ATOM 0 HB2 GLU A 10 1.057 15.359 15.411 1.00 0.72 H new ATOM 0 HB3 GLU A 10 1.885 14.449 16.658 1.00 0.72 H new ATOM 0 HG2 GLU A 10 0.294 14.965 18.296 1.00 0.72 H new ATOM 0 HG3 GLU A 10 -0.028 16.557 17.639 1.00 0.72 H new ATOM 145 N GLU A 11 3.618 15.758 18.601 1.00 0.67 N ATOM 146 CA GLU A 11 4.114 15.866 19.998 1.00 0.73 C ATOM 147 C GLU A 11 4.914 17.191 20.150 1.00 0.80 C ATOM 148 O GLU A 11 4.766 17.882 21.139 1.00 1.13 O ATOM 149 CB GLU A 11 4.979 14.617 20.262 1.00 0.71 C ATOM 150 CG GLU A 11 4.098 13.289 20.349 1.00 0.71 C ATOM 151 CD GLU A 11 4.236 12.481 21.655 1.00 0.86 C ATOM 152 OE1 GLU A 11 4.414 13.084 22.698 1.00 2.91 O ATOM 153 OE2 GLU A 11 4.159 11.262 21.538 1.00 1.12 O ATOM 0 H GLU A 11 3.945 14.939 18.089 1.00 0.67 H new ATOM 0 HA GLU A 11 3.306 15.899 20.729 1.00 0.73 H new ATOM 0 HB2 GLU A 11 5.717 14.512 19.466 1.00 0.71 H new ATOM 0 HB3 GLU A 11 5.531 14.748 21.193 1.00 0.71 H new ATOM 0 HG2 GLU A 11 3.050 13.561 20.220 1.00 0.71 H new ATOM 0 HG3 GLU A 11 4.365 12.642 19.513 1.00 0.71 H new ATOM 160 N VAL A 12 5.737 17.521 19.176 1.00 0.50 N ATOM 161 CA VAL A 12 6.555 18.785 19.213 1.00 0.53 C ATOM 162 C VAL A 12 5.609 19.964 19.238 1.00 0.50 C ATOM 163 O VAL A 12 5.723 20.795 20.116 1.00 0.45 O ATOM 164 CB VAL A 12 7.500 18.876 17.960 1.00 0.52 C ATOM 165 CG1 VAL A 12 7.030 19.792 16.786 1.00 0.51 C ATOM 166 CG2 VAL A 12 8.835 19.448 18.445 1.00 0.53 C ATOM 0 H VAL A 12 5.879 16.955 18.339 1.00 0.50 H new ATOM 0 HA VAL A 12 7.183 18.787 20.104 1.00 0.53 H new ATOM 0 HB VAL A 12 7.534 17.865 17.554 1.00 0.52 H new ATOM 0 HG11 VAL A 12 7.770 19.766 15.986 1.00 0.51 H new ATOM 0 HG12 VAL A 12 6.073 19.435 16.407 1.00 0.51 H new ATOM 0 HG13 VAL A 12 6.919 20.815 17.145 1.00 0.51 H new ATOM 0 HG21 VAL A 12 9.523 19.528 17.604 1.00 0.53 H new ATOM 0 HG22 VAL A 12 8.672 20.436 18.876 1.00 0.53 H new ATOM 0 HG23 VAL A 12 9.261 18.788 19.200 1.00 0.53 H new ATOM 176 N LYS A 13 4.685 20.033 18.306 1.00 0.52 N ATOM 177 CA LYS A 13 3.728 21.192 18.318 1.00 0.47 C ATOM 178 C LYS A 13 2.887 21.145 19.650 1.00 0.62 C ATOM 179 O LYS A 13 2.109 22.039 19.924 1.00 0.72 O ATOM 180 CB LYS A 13 2.860 21.077 16.971 1.00 0.63 C ATOM 181 CG LYS A 13 1.574 20.232 17.101 1.00 0.35 C ATOM 182 CD LYS A 13 1.049 19.730 15.690 1.00 1.61 C ATOM 183 CE LYS A 13 -0.290 18.964 15.912 1.00 3.40 C ATOM 184 NZ LYS A 13 -0.696 18.153 14.710 1.00 5.34 N ATOM 0 H LYS A 13 4.552 19.356 17.555 1.00 0.52 H new ATOM 0 HA LYS A 13 4.216 22.166 18.319 1.00 0.47 H new ATOM 0 HB2 LYS A 13 2.587 22.080 16.644 1.00 0.63 H new ATOM 0 HB3 LYS A 13 3.484 20.645 16.189 1.00 0.63 H new ATOM 0 HG2 LYS A 13 1.768 19.372 17.743 1.00 0.35 H new ATOM 0 HG3 LYS A 13 0.798 20.824 17.587 1.00 0.35 H new ATOM 0 HD2 LYS A 13 0.896 20.575 15.019 1.00 1.61 H new ATOM 0 HD3 LYS A 13 1.786 19.079 15.220 1.00 1.61 H new ATOM 0 HE2 LYS A 13 -0.189 18.305 16.774 1.00 3.40 H new ATOM 0 HE3 LYS A 13 -1.079 19.678 16.148 1.00 3.40 H new ATOM 0 HZ1 LYS A 13 -1.394 18.685 14.152 1.00 5.34 H new ATOM 0 HZ2 LYS A 13 0.141 17.959 14.124 1.00 5.34 H new ATOM 0 HZ3 LYS A 13 -1.115 17.254 15.023 1.00 5.34 H new ATOM 198 N HIS A 14 3.099 20.096 20.423 1.00 0.73 N ATOM 199 CA HIS A 14 2.409 19.862 21.741 1.00 0.95 C ATOM 200 C HIS A 14 3.396 19.956 22.956 1.00 0.55 C ATOM 201 O HIS A 14 3.010 19.691 24.081 1.00 0.63 O ATOM 202 CB HIS A 14 1.710 18.437 21.666 1.00 1.47 C ATOM 203 CG HIS A 14 2.012 17.537 22.876 1.00 3.82 C ATOM 204 ND1 HIS A 14 3.181 17.061 23.144 1.00 5.35 N ATOM 205 CD2 HIS A 14 1.212 17.056 23.893 1.00 5.30 C ATOM 206 CE1 HIS A 14 3.133 16.346 24.226 1.00 7.55 C ATOM 207 NE2 HIS A 14 1.922 16.317 24.724 1.00 7.54 N ATOM 0 H HIS A 14 3.757 19.356 20.178 1.00 0.73 H new ATOM 0 HA HIS A 14 1.667 20.643 21.910 1.00 0.95 H new ATOM 0 HB2 HIS A 14 0.632 18.575 21.587 1.00 1.47 H new ATOM 0 HB3 HIS A 14 2.034 17.930 20.757 1.00 1.47 H new ATOM 0 HD1 HIS A 14 4.020 17.223 22.587 1.00 5.35 H new ATOM 0 HD2 HIS A 14 0.156 17.256 23.994 1.00 5.30 H new ATOM 0 HE1 HIS A 14 3.983 15.840 24.660 1.00 7.55 H new ATOM 215 N LEU A 15 4.642 20.350 22.788 1.00 0.30 N ATOM 216 CA LEU A 15 5.518 20.403 24.023 1.00 0.57 C ATOM 217 C LEU A 15 4.894 21.473 24.905 1.00 0.66 C ATOM 218 O LEU A 15 4.422 22.484 24.412 1.00 0.81 O ATOM 219 CB LEU A 15 6.964 20.821 23.654 1.00 1.10 C ATOM 220 CG LEU A 15 7.615 19.808 22.704 1.00 1.51 C ATOM 221 CD1 LEU A 15 8.867 20.424 22.065 1.00 2.02 C ATOM 222 CD2 LEU A 15 8.063 18.577 23.476 1.00 2.08 C ATOM 0 H LEU A 15 5.076 20.624 21.907 1.00 0.30 H new ATOM 0 HA LEU A 15 5.576 19.431 24.513 1.00 0.57 H new ATOM 0 HB2 LEU A 15 6.951 21.805 23.186 1.00 1.10 H new ATOM 0 HB3 LEU A 15 7.562 20.907 24.561 1.00 1.10 H new ATOM 0 HG LEU A 15 6.882 19.538 21.944 1.00 1.51 H new ATOM 0 HD11 LEU A 15 9.325 19.700 21.391 1.00 2.02 H new ATOM 0 HD12 LEU A 15 8.588 21.316 21.504 1.00 2.02 H new ATOM 0 HD13 LEU A 15 9.578 20.694 22.845 1.00 2.02 H new ATOM 0 HD21 LEU A 15 8.523 17.865 22.791 1.00 2.08 H new ATOM 0 HD22 LEU A 15 8.787 18.868 24.237 1.00 2.08 H new ATOM 0 HD23 LEU A 15 7.200 18.114 23.954 1.00 2.08 H new ATOM 234 N LYS A 16 4.905 21.238 26.191 1.00 1.05 N ATOM 235 CA LYS A 16 4.301 22.249 27.094 1.00 1.66 C ATOM 236 C LYS A 16 5.245 23.418 27.265 1.00 1.00 C ATOM 237 O LYS A 16 4.824 24.519 27.565 1.00 1.14 O ATOM 238 CB LYS A 16 3.992 21.549 28.417 1.00 2.66 C ATOM 239 CG LYS A 16 3.238 20.225 28.137 1.00 3.89 C ATOM 240 CD LYS A 16 2.640 19.669 29.454 1.00 3.15 C ATOM 241 CE LYS A 16 2.174 18.231 29.230 1.00 5.51 C ATOM 242 NZ LYS A 16 3.371 17.339 29.083 1.00 6.73 N ATOM 0 H LYS A 16 5.296 20.411 26.642 1.00 1.05 H new ATOM 0 HA LYS A 16 3.378 22.657 26.682 1.00 1.66 H new ATOM 0 HB2 LYS A 16 4.916 21.346 28.958 1.00 2.66 H new ATOM 0 HB3 LYS A 16 3.387 22.197 29.051 1.00 2.66 H new ATOM 0 HG2 LYS A 16 2.444 20.396 27.410 1.00 3.89 H new ATOM 0 HG3 LYS A 16 3.919 19.494 27.700 1.00 3.89 H new ATOM 0 HD2 LYS A 16 3.386 19.702 30.248 1.00 3.15 H new ATOM 0 HD3 LYS A 16 1.803 20.288 29.777 1.00 3.15 H new ATOM 0 HE2 LYS A 16 1.561 17.901 30.068 1.00 5.51 H new ATOM 0 HE3 LYS A 16 1.551 18.173 28.337 1.00 5.51 H new ATOM 0 HZ1 LYS A 16 3.079 16.431 28.668 1.00 6.73 H new ATOM 0 HZ2 LYS A 16 4.069 17.795 28.462 1.00 6.73 H new ATOM 0 HZ3 LYS A 16 3.796 17.172 30.017 1.00 6.73 H new ATOM 256 N THR A 17 6.500 23.151 27.053 1.00 0.73 N ATOM 257 CA THR A 17 7.517 24.241 27.190 1.00 0.98 C ATOM 258 C THR A 17 7.946 24.670 25.795 1.00 1.26 C ATOM 259 O THR A 17 7.684 24.035 24.791 1.00 1.18 O ATOM 260 CB THR A 17 8.721 23.727 27.965 1.00 1.53 C ATOM 261 OG1 THR A 17 8.205 23.636 29.275 1.00 1.73 O ATOM 262 CG2 THR A 17 9.849 24.712 28.234 1.00 2.09 C ATOM 0 H THR A 17 6.869 22.236 26.793 1.00 0.73 H new ATOM 0 HA THR A 17 7.091 25.088 27.729 1.00 0.98 H new ATOM 0 HB THR A 17 9.107 22.871 27.411 1.00 1.53 H new ATOM 0 HG1 THR A 17 7.983 22.703 29.475 1.00 1.73 H new ATOM 0 HG21 THR A 17 10.641 24.214 28.794 1.00 2.09 H new ATOM 0 HG22 THR A 17 10.248 25.076 27.287 1.00 2.09 H new ATOM 0 HG23 THR A 17 9.468 25.552 28.814 1.00 2.09 H new ATOM 270 N LYS A 18 8.632 25.765 25.808 1.00 1.82 N ATOM 271 CA LYS A 18 9.158 26.398 24.554 1.00 2.37 C ATOM 272 C LYS A 18 10.640 26.013 24.317 1.00 2.48 C ATOM 273 O LYS A 18 11.476 26.394 25.116 1.00 2.65 O ATOM 274 CB LYS A 18 8.978 27.924 24.711 1.00 2.84 C ATOM 275 CG LYS A 18 7.460 28.266 24.741 1.00 2.33 C ATOM 276 CD LYS A 18 7.319 29.805 24.947 1.00 3.03 C ATOM 277 CE LYS A 18 5.869 30.287 24.801 1.00 1.59 C ATOM 278 NZ LYS A 18 5.043 29.691 25.896 1.00 1.77 N ATOM 0 H LYS A 18 8.865 26.275 26.660 1.00 1.82 H new ATOM 0 HA LYS A 18 8.613 26.044 23.679 1.00 2.37 H new ATOM 0 HB2 LYS A 18 9.457 28.265 25.629 1.00 2.84 H new ATOM 0 HB3 LYS A 18 9.463 28.445 23.886 1.00 2.84 H new ATOM 0 HG2 LYS A 18 6.982 27.960 23.810 1.00 2.33 H new ATOM 0 HG3 LYS A 18 6.963 27.726 25.547 1.00 2.33 H new ATOM 0 HD2 LYS A 18 7.689 30.071 25.937 1.00 3.03 H new ATOM 0 HD3 LYS A 18 7.946 30.324 24.222 1.00 3.03 H new ATOM 0 HE2 LYS A 18 5.828 31.375 24.849 1.00 1.59 H new ATOM 0 HE3 LYS A 18 5.472 29.995 23.829 1.00 1.59 H new ATOM 0 HZ1 LYS A 18 4.074 30.066 25.844 1.00 1.77 H new ATOM 0 HZ2 LYS A 18 5.020 28.657 25.790 1.00 1.77 H new ATOM 0 HZ3 LYS A 18 5.460 29.935 26.817 1.00 1.77 H new ATOM 292 N PRO A 19 10.921 25.279 23.258 1.00 2.40 N ATOM 293 CA PRO A 19 12.309 24.841 22.918 1.00 2.42 C ATOM 294 C PRO A 19 13.117 25.972 22.245 1.00 2.12 C ATOM 295 O PRO A 19 12.679 27.102 22.180 1.00 2.54 O ATOM 296 CB PRO A 19 12.058 23.613 22.036 1.00 2.63 C ATOM 297 CG PRO A 19 10.865 24.109 21.188 1.00 2.48 C ATOM 298 CD PRO A 19 9.944 24.760 22.251 1.00 2.31 C ATOM 0 HA PRO A 19 12.933 24.595 23.777 1.00 2.42 H new ATOM 0 HB2 PRO A 19 12.924 23.359 21.424 1.00 2.63 H new ATOM 0 HB3 PRO A 19 11.810 22.727 22.621 1.00 2.63 H new ATOM 0 HG2 PRO A 19 11.177 24.826 20.428 1.00 2.48 H new ATOM 0 HG3 PRO A 19 10.368 23.290 20.668 1.00 2.48 H new ATOM 0 HD2 PRO A 19 9.337 25.559 21.826 1.00 2.31 H new ATOM 0 HD3 PRO A 19 9.257 24.036 22.689 1.00 2.31 H new ATOM 306 N ALA A 20 14.277 25.655 21.732 1.00 1.49 N ATOM 307 CA ALA A 20 15.092 26.734 21.082 1.00 1.31 C ATOM 308 C ALA A 20 14.834 26.988 19.576 1.00 0.92 C ATOM 309 O ALA A 20 14.554 26.100 18.792 1.00 0.84 O ATOM 310 CB ALA A 20 16.561 26.374 21.330 1.00 1.39 C ATOM 0 H ALA A 20 14.691 24.723 21.731 1.00 1.49 H new ATOM 0 HA ALA A 20 14.794 27.680 21.534 1.00 1.31 H new ATOM 0 HB1 ALA A 20 17.202 27.129 20.876 1.00 1.39 H new ATOM 0 HB2 ALA A 20 16.750 26.335 22.403 1.00 1.39 H new ATOM 0 HB3 ALA A 20 16.777 25.401 20.888 1.00 1.39 H new ATOM 316 N ASP A 21 14.942 28.239 19.213 1.00 0.71 N ATOM 317 CA ASP A 21 14.730 28.662 17.793 1.00 0.44 C ATOM 318 C ASP A 21 15.438 27.663 16.838 1.00 0.40 C ATOM 319 O ASP A 21 14.828 27.062 15.972 1.00 0.44 O ATOM 320 CB ASP A 21 15.272 30.106 17.720 1.00 0.27 C ATOM 321 CG ASP A 21 14.597 30.842 16.571 1.00 1.38 C ATOM 322 OD1 ASP A 21 14.663 30.280 15.491 1.00 2.53 O ATOM 323 OD2 ASP A 21 14.062 31.907 16.842 1.00 2.85 O ATOM 0 H ASP A 21 15.172 29.001 19.851 1.00 0.71 H new ATOM 0 HA ASP A 21 13.687 28.652 17.478 1.00 0.44 H new ATOM 0 HB2 ASP A 21 15.083 30.625 18.660 1.00 0.27 H new ATOM 0 HB3 ASP A 21 16.352 30.094 17.574 1.00 0.27 H new ATOM 328 N GLU A 22 16.723 27.486 17.014 1.00 0.40 N ATOM 329 CA GLU A 22 17.479 26.528 16.142 1.00 0.47 C ATOM 330 C GLU A 22 16.743 25.190 16.046 1.00 0.52 C ATOM 331 O GLU A 22 16.657 24.597 14.989 1.00 0.46 O ATOM 332 CB GLU A 22 18.899 26.314 16.744 1.00 0.63 C ATOM 333 CG GLU A 22 19.879 27.448 16.324 1.00 0.81 C ATOM 334 CD GLU A 22 20.344 27.298 14.862 1.00 2.73 C ATOM 335 OE1 GLU A 22 20.526 26.166 14.429 1.00 2.44 O ATOM 336 OE2 GLU A 22 20.492 28.352 14.275 1.00 4.84 O ATOM 0 H GLU A 22 17.283 27.961 17.722 1.00 0.40 H new ATOM 0 HA GLU A 22 17.560 26.942 15.137 1.00 0.47 H new ATOM 0 HB2 GLU A 22 18.831 26.276 17.831 1.00 0.63 H new ATOM 0 HB3 GLU A 22 19.293 25.352 16.415 1.00 0.63 H new ATOM 0 HG2 GLU A 22 19.391 28.414 16.452 1.00 0.81 H new ATOM 0 HG3 GLU A 22 20.747 27.439 16.983 1.00 0.81 H new ATOM 343 N GLU A 23 16.191 24.723 17.143 1.00 0.76 N ATOM 344 CA GLU A 23 15.466 23.412 17.095 1.00 0.86 C ATOM 345 C GLU A 23 14.210 23.628 16.224 1.00 0.82 C ATOM 346 O GLU A 23 13.957 22.840 15.329 1.00 0.85 O ATOM 347 CB GLU A 23 15.123 22.977 18.584 1.00 0.91 C ATOM 348 CG GLU A 23 16.474 22.813 19.388 1.00 0.92 C ATOM 349 CD GLU A 23 16.360 21.956 20.656 1.00 0.95 C ATOM 350 OE1 GLU A 23 15.891 22.432 21.686 1.00 1.16 O ATOM 351 OE2 GLU A 23 16.785 20.824 20.453 1.00 0.87 O ATOM 0 H GLU A 23 16.210 25.183 18.053 1.00 0.76 H new ATOM 0 HA GLU A 23 16.058 22.609 16.656 1.00 0.86 H new ATOM 0 HB2 GLU A 23 14.489 23.725 19.060 1.00 0.91 H new ATOM 0 HB3 GLU A 23 14.566 22.040 18.585 1.00 0.91 H new ATOM 0 HG2 GLU A 23 17.222 22.369 18.731 1.00 0.92 H new ATOM 0 HG3 GLU A 23 16.840 23.802 19.665 1.00 0.92 H new ATOM 358 N MET A 24 13.471 24.675 16.510 1.00 0.77 N ATOM 359 CA MET A 24 12.231 24.974 15.709 1.00 0.76 C ATOM 360 C MET A 24 12.612 24.885 14.216 1.00 0.58 C ATOM 361 O MET A 24 11.926 24.244 13.440 1.00 0.57 O ATOM 362 CB MET A 24 11.707 26.399 16.078 1.00 0.79 C ATOM 363 CG MET A 24 11.139 26.372 17.527 1.00 0.95 C ATOM 364 SD MET A 24 10.119 27.776 18.048 1.00 1.22 S ATOM 365 CE MET A 24 11.220 28.515 19.280 1.00 4.12 C ATOM 0 H MET A 24 13.669 25.336 17.261 1.00 0.77 H new ATOM 0 HA MET A 24 11.434 24.263 15.925 1.00 0.76 H new ATOM 0 HB2 MET A 24 12.514 27.128 16.004 1.00 0.79 H new ATOM 0 HB3 MET A 24 10.933 26.709 15.376 1.00 0.79 H new ATOM 0 HG2 MET A 24 10.546 25.464 17.640 1.00 0.95 H new ATOM 0 HG3 MET A 24 11.979 26.291 18.217 1.00 0.95 H new ATOM 0 HE1 MET A 24 10.633 29.099 19.989 1.00 4.12 H new ATOM 0 HE2 MET A 24 11.752 27.726 19.812 1.00 4.12 H new ATOM 0 HE3 MET A 24 11.939 29.165 18.782 1.00 4.12 H new ATOM 375 N LEU A 25 13.707 25.531 13.888 1.00 0.44 N ATOM 376 CA LEU A 25 14.242 25.559 12.505 1.00 0.27 C ATOM 377 C LEU A 25 14.676 24.157 12.064 1.00 0.31 C ATOM 378 O LEU A 25 14.380 23.755 10.960 1.00 0.27 O ATOM 379 CB LEU A 25 15.399 26.574 12.528 1.00 0.25 C ATOM 380 CG LEU A 25 14.851 27.981 12.259 1.00 0.13 C ATOM 381 CD1 LEU A 25 15.944 29.008 12.530 1.00 0.28 C ATOM 382 CD2 LEU A 25 14.481 28.087 10.777 1.00 0.09 C ATOM 0 H LEU A 25 14.268 26.059 14.557 1.00 0.44 H new ATOM 0 HA LEU A 25 13.494 25.863 11.773 1.00 0.27 H new ATOM 0 HB2 LEU A 25 15.902 26.547 13.495 1.00 0.25 H new ATOM 0 HB3 LEU A 25 16.142 26.312 11.775 1.00 0.25 H new ATOM 0 HG LEU A 25 13.986 28.162 12.897 1.00 0.13 H new ATOM 0 HD11 LEU A 25 15.558 30.009 12.340 1.00 0.28 H new ATOM 0 HD12 LEU A 25 16.263 28.934 13.570 1.00 0.28 H new ATOM 0 HD13 LEU A 25 16.794 28.816 11.875 1.00 0.28 H new ATOM 0 HD21 LEU A 25 14.089 29.083 10.570 1.00 0.09 H new ATOM 0 HD22 LEU A 25 15.367 27.912 10.167 1.00 0.09 H new ATOM 0 HD23 LEU A 25 13.722 27.342 10.537 1.00 0.09 H new ATOM 394 N PHE A 26 15.346 23.413 12.910 1.00 0.42 N ATOM 395 CA PHE A 26 15.771 22.036 12.483 1.00 0.49 C ATOM 396 C PHE A 26 14.466 21.281 12.162 1.00 0.43 C ATOM 397 O PHE A 26 14.355 20.704 11.103 1.00 0.37 O ATOM 398 CB PHE A 26 16.552 21.360 13.630 1.00 0.70 C ATOM 399 CG PHE A 26 16.966 19.954 13.152 1.00 0.59 C ATOM 400 CD1 PHE A 26 16.141 18.859 13.336 1.00 0.45 C ATOM 401 CD2 PHE A 26 18.173 19.772 12.508 1.00 0.86 C ATOM 402 CE1 PHE A 26 16.509 17.608 12.887 1.00 0.30 C ATOM 403 CE2 PHE A 26 18.543 18.521 12.061 1.00 0.89 C ATOM 404 CZ PHE A 26 17.710 17.442 12.249 1.00 0.53 C ATOM 0 H PHE A 26 15.613 23.687 13.855 1.00 0.42 H new ATOM 0 HA PHE A 26 16.431 22.048 11.616 1.00 0.49 H new ATOM 0 HB2 PHE A 26 17.431 21.949 13.893 1.00 0.70 H new ATOM 0 HB3 PHE A 26 15.934 21.293 14.525 1.00 0.70 H new ATOM 0 HD1 PHE A 26 15.194 18.986 13.839 1.00 0.45 H new ATOM 0 HD2 PHE A 26 18.831 20.614 12.353 1.00 0.86 H new ATOM 0 HE1 PHE A 26 15.853 16.763 13.038 1.00 0.30 H new ATOM 0 HE2 PHE A 26 19.491 18.388 11.561 1.00 0.89 H new ATOM 0 HZ PHE A 26 18.003 16.465 11.894 1.00 0.53 H new ATOM 414 N ILE A 27 13.520 21.306 13.080 1.00 0.51 N ATOM 415 CA ILE A 27 12.199 20.613 12.851 1.00 0.56 C ATOM 416 C ILE A 27 11.738 21.237 11.530 1.00 0.46 C ATOM 417 O ILE A 27 11.847 20.598 10.516 1.00 0.33 O ATOM 418 CB ILE A 27 11.238 20.950 14.051 1.00 0.64 C ATOM 419 CG1 ILE A 27 11.385 19.933 15.229 1.00 0.75 C ATOM 420 CG2 ILE A 27 9.720 20.986 13.663 1.00 0.68 C ATOM 421 CD1 ILE A 27 12.840 19.818 15.696 1.00 0.71 C ATOM 0 H ILE A 27 13.605 21.777 13.981 1.00 0.51 H new ATOM 0 HA ILE A 27 12.235 19.525 12.799 1.00 0.56 H new ATOM 0 HB ILE A 27 11.551 21.949 14.355 1.00 0.64 H new ATOM 0 HG12 ILE A 27 10.758 20.248 16.063 1.00 0.75 H new ATOM 0 HG13 ILE A 27 11.025 18.954 14.912 1.00 0.75 H new ATOM 0 HG21 ILE A 27 9.125 21.225 14.544 1.00 0.68 H new ATOM 0 HG22 ILE A 27 9.558 21.746 12.899 1.00 0.68 H new ATOM 0 HG23 ILE A 27 9.420 20.012 13.276 1.00 0.68 H new ATOM 0 HD11 ILE A 27 12.904 19.102 16.516 1.00 0.71 H new ATOM 0 HD12 ILE A 27 13.462 19.478 14.868 1.00 0.71 H new ATOM 0 HD13 ILE A 27 13.191 20.792 16.037 1.00 0.71 H new ATOM 433 N TYR A 28 11.213 22.433 11.576 1.00 0.53 N ATOM 434 CA TYR A 28 10.753 23.141 10.333 1.00 0.47 C ATOM 435 C TYR A 28 11.429 22.643 9.030 1.00 0.29 C ATOM 436 O TYR A 28 10.798 22.170 8.109 1.00 0.29 O ATOM 437 CB TYR A 28 11.032 24.643 10.459 1.00 0.60 C ATOM 438 CG TYR A 28 10.262 25.316 9.316 1.00 0.67 C ATOM 439 CD1 TYR A 28 8.916 25.589 9.475 1.00 2.65 C ATOM 440 CD2 TYR A 28 10.881 25.630 8.119 1.00 2.30 C ATOM 441 CE1 TYR A 28 8.201 26.167 8.449 1.00 2.82 C ATOM 442 CE2 TYR A 28 10.158 26.207 7.100 1.00 2.17 C ATOM 443 CZ TYR A 28 8.819 26.474 7.265 1.00 0.95 C ATOM 444 OH TYR A 28 8.074 27.032 6.252 1.00 1.14 O ATOM 0 H TYR A 28 11.079 22.963 12.437 1.00 0.53 H new ATOM 0 HA TYR A 28 9.688 22.925 10.254 1.00 0.47 H new ATOM 0 HB2 TYR A 28 10.702 25.021 11.427 1.00 0.60 H new ATOM 0 HB3 TYR A 28 12.100 24.849 10.384 1.00 0.60 H new ATOM 0 HD1 TYR A 28 8.424 25.349 10.406 1.00 2.65 H new ATOM 0 HD2 TYR A 28 11.932 25.422 7.984 1.00 2.30 H new ATOM 0 HE1 TYR A 28 7.150 26.379 8.578 1.00 2.82 H new ATOM 0 HE2 TYR A 28 10.644 26.451 6.167 1.00 2.17 H new ATOM 0 HH TYR A 28 8.649 27.195 5.475 1.00 1.14 H new ATOM 454 N SER A 29 12.727 22.739 8.993 1.00 0.20 N ATOM 455 CA SER A 29 13.521 22.312 7.801 1.00 0.07 C ATOM 456 C SER A 29 13.358 20.816 7.503 1.00 0.11 C ATOM 457 O SER A 29 12.841 20.451 6.461 1.00 0.15 O ATOM 458 CB SER A 29 14.983 22.701 8.113 1.00 0.19 C ATOM 459 OG SER A 29 15.349 21.933 9.253 1.00 0.31 O ATOM 0 H SER A 29 13.290 23.106 9.760 1.00 0.20 H new ATOM 0 HA SER A 29 13.173 22.805 6.893 1.00 0.07 H new ATOM 0 HB2 SER A 29 15.635 22.483 7.268 1.00 0.19 H new ATOM 0 HB3 SER A 29 15.070 23.769 8.315 1.00 0.19 H new ATOM 0 HG SER A 29 14.621 21.954 9.909 1.00 0.31 H new ATOM 465 N HIS A 30 13.793 19.984 8.410 1.00 0.31 N ATOM 466 CA HIS A 30 13.688 18.501 8.239 1.00 0.37 C ATOM 467 C HIS A 30 12.237 18.064 7.997 1.00 0.36 C ATOM 468 O HIS A 30 12.007 17.157 7.225 1.00 0.38 O ATOM 469 CB HIS A 30 14.245 17.819 9.509 1.00 0.42 C ATOM 470 CG HIS A 30 15.742 17.593 9.380 1.00 0.72 C ATOM 471 ND1 HIS A 30 16.298 16.428 9.348 1.00 2.88 N ATOM 472 CD2 HIS A 30 16.787 18.482 9.261 1.00 1.42 C ATOM 473 CE1 HIS A 30 17.584 16.567 9.220 1.00 2.59 C ATOM 474 NE2 HIS A 30 17.929 17.830 9.162 1.00 0.70 N ATOM 0 H HIS A 30 14.228 20.275 9.285 1.00 0.31 H new ATOM 0 HA HIS A 30 14.267 18.203 7.364 1.00 0.37 H new ATOM 0 HB2 HIS A 30 14.039 18.439 10.382 1.00 0.42 H new ATOM 0 HB3 HIS A 30 13.740 16.866 9.668 1.00 0.42 H new ATOM 0 HD2 HIS A 30 16.686 19.557 9.250 1.00 1.42 H new ATOM 0 HE1 HIS A 30 18.281 15.744 9.168 1.00 2.59 H new ATOM 0 HE2 HIS A 30 18.866 18.220 9.063 1.00 0.70 H new ATOM 482 N TYR A 31 11.303 18.707 8.640 1.00 0.36 N ATOM 483 CA TYR A 31 9.866 18.342 8.458 1.00 0.38 C ATOM 484 C TYR A 31 9.492 18.729 7.041 1.00 0.24 C ATOM 485 O TYR A 31 8.886 17.948 6.329 1.00 0.30 O ATOM 486 CB TYR A 31 8.985 19.112 9.491 1.00 0.50 C ATOM 487 CG TYR A 31 7.464 18.942 9.233 1.00 0.34 C ATOM 488 CD1 TYR A 31 6.840 19.580 8.175 1.00 2.36 C ATOM 489 CD2 TYR A 31 6.691 18.147 10.061 1.00 2.39 C ATOM 490 CE1 TYR A 31 5.483 19.423 7.957 1.00 2.52 C ATOM 491 CE2 TYR A 31 5.330 17.993 9.836 1.00 2.22 C ATOM 492 CZ TYR A 31 4.724 18.635 8.779 1.00 0.38 C ATOM 493 OH TYR A 31 3.373 18.508 8.529 1.00 0.48 O ATOM 0 H TYR A 31 11.472 19.476 9.289 1.00 0.36 H new ATOM 0 HA TYR A 31 9.704 17.276 8.620 1.00 0.38 H new ATOM 0 HB2 TYR A 31 9.220 18.759 10.495 1.00 0.50 H new ATOM 0 HB3 TYR A 31 9.238 20.172 9.458 1.00 0.50 H new ATOM 0 HD1 TYR A 31 7.419 20.207 7.513 1.00 2.36 H new ATOM 0 HD2 TYR A 31 7.153 17.639 10.894 1.00 2.39 H new ATOM 0 HE1 TYR A 31 5.016 19.930 7.126 1.00 2.52 H new ATOM 0 HE2 TYR A 31 4.744 17.367 10.493 1.00 2.22 H new ATOM 0 HH TYR A 31 2.971 17.915 9.198 1.00 0.48 H new ATOM 503 N LYS A 32 9.856 19.917 6.644 1.00 0.16 N ATOM 504 CA LYS A 32 9.479 20.272 5.246 1.00 0.27 C ATOM 505 C LYS A 32 10.188 19.286 4.278 1.00 0.28 C ATOM 506 O LYS A 32 9.492 18.618 3.539 1.00 0.23 O ATOM 507 CB LYS A 32 9.877 21.741 4.983 1.00 0.44 C ATOM 508 CG LYS A 32 9.020 22.772 5.749 1.00 0.54 C ATOM 509 CD LYS A 32 7.514 22.516 5.508 1.00 0.89 C ATOM 510 CE LYS A 32 6.689 23.638 6.096 1.00 1.19 C ATOM 511 NZ LYS A 32 6.868 24.822 5.216 1.00 2.28 N ATOM 0 H LYS A 32 10.364 20.617 7.184 1.00 0.16 H new ATOM 0 HA LYS A 32 8.404 20.185 5.086 1.00 0.27 H new ATOM 0 HB2 LYS A 32 10.923 21.878 5.258 1.00 0.44 H new ATOM 0 HB3 LYS A 32 9.799 21.942 3.914 1.00 0.44 H new ATOM 0 HG2 LYS A 32 9.238 22.713 6.815 1.00 0.54 H new ATOM 0 HG3 LYS A 32 9.279 23.780 5.426 1.00 0.54 H new ATOM 0 HD2 LYS A 32 7.319 22.434 4.439 1.00 0.89 H new ATOM 0 HD3 LYS A 32 7.223 21.567 5.959 1.00 0.89 H new ATOM 0 HE2 LYS A 32 5.638 23.355 6.151 1.00 1.19 H new ATOM 0 HE3 LYS A 32 7.012 23.862 7.113 1.00 1.19 H new ATOM 0 HZ1 LYS A 32 7.385 25.563 5.732 1.00 2.28 H new ATOM 0 HZ2 LYS A 32 7.408 24.548 4.371 1.00 2.28 H new ATOM 0 HZ3 LYS A 32 5.937 25.185 4.929 1.00 2.28 H new ATOM 525 N GLN A 33 11.494 19.186 4.296 1.00 0.40 N ATOM 526 CA GLN A 33 12.171 18.217 3.348 1.00 0.51 C ATOM 527 C GLN A 33 11.590 16.788 3.448 1.00 0.51 C ATOM 528 O GLN A 33 11.447 16.115 2.448 1.00 0.63 O ATOM 529 CB GLN A 33 13.690 18.215 3.656 1.00 0.60 C ATOM 530 CG GLN A 33 14.489 17.129 2.837 1.00 0.74 C ATOM 531 CD GLN A 33 14.493 17.208 1.284 1.00 0.75 C ATOM 532 OE1 GLN A 33 15.123 16.402 0.644 1.00 1.87 O ATOM 533 NE2 GLN A 33 13.859 18.103 0.596 1.00 1.54 N ATOM 0 H GLN A 33 12.117 19.715 4.906 1.00 0.40 H new ATOM 0 HA GLN A 33 11.990 18.546 2.325 1.00 0.51 H new ATOM 0 HB2 GLN A 33 14.100 19.201 3.436 1.00 0.60 H new ATOM 0 HB3 GLN A 33 13.838 18.039 4.721 1.00 0.60 H new ATOM 0 HG2 GLN A 33 15.526 17.162 3.171 1.00 0.74 H new ATOM 0 HG3 GLN A 33 14.096 16.151 3.116 1.00 0.74 H new ATOM 0 HE21 GLN A 33 13.306 18.816 1.073 1.00 1.54 H new ATOM 0 HE22 GLN A 33 13.912 18.096 -0.423 1.00 1.54 H new ATOM 542 N ALA A 34 11.289 16.363 4.649 1.00 0.44 N ATOM 543 CA ALA A 34 10.711 15.007 4.900 1.00 0.53 C ATOM 544 C ALA A 34 9.242 14.832 4.443 1.00 0.35 C ATOM 545 O ALA A 34 8.897 13.735 4.048 1.00 0.30 O ATOM 546 CB ALA A 34 10.810 14.723 6.405 1.00 0.71 C ATOM 0 H ALA A 34 11.425 16.919 5.493 1.00 0.44 H new ATOM 0 HA ALA A 34 11.287 14.302 4.301 1.00 0.53 H new ATOM 0 HB1 ALA A 34 10.395 13.738 6.617 1.00 0.71 H new ATOM 0 HB2 ALA A 34 11.855 14.750 6.712 1.00 0.71 H new ATOM 0 HB3 ALA A 34 10.250 15.479 6.956 1.00 0.71 H new ATOM 552 N THR A 35 8.438 15.872 4.515 1.00 0.33 N ATOM 553 CA THR A 35 6.976 15.790 4.093 1.00 0.25 C ATOM 554 C THR A 35 6.566 16.532 2.826 1.00 0.15 C ATOM 555 O THR A 35 5.823 16.019 2.014 1.00 0.24 O ATOM 556 CB THR A 35 6.043 16.335 5.176 1.00 0.39 C ATOM 557 OG1 THR A 35 6.364 17.710 5.253 1.00 0.27 O ATOM 558 CG2 THR A 35 6.407 15.866 6.555 1.00 0.61 C ATOM 0 H THR A 35 8.727 16.791 4.851 1.00 0.33 H new ATOM 0 HA THR A 35 6.880 14.720 3.910 1.00 0.25 H new ATOM 0 HB THR A 35 5.022 16.048 4.925 1.00 0.39 H new ATOM 0 HG1 THR A 35 7.254 17.817 5.650 1.00 0.27 H new ATOM 0 HG21 THR A 35 5.709 16.286 7.278 1.00 0.61 H new ATOM 0 HG22 THR A 35 6.358 14.778 6.594 1.00 0.61 H new ATOM 0 HG23 THR A 35 7.419 16.193 6.795 1.00 0.61 H new ATOM 566 N VAL A 36 7.064 17.721 2.703 1.00 0.39 N ATOM 567 CA VAL A 36 6.776 18.606 1.526 1.00 0.58 C ATOM 568 C VAL A 36 7.815 18.357 0.412 1.00 0.64 C ATOM 569 O VAL A 36 7.536 18.444 -0.771 1.00 0.83 O ATOM 570 CB VAL A 36 6.819 20.076 2.039 1.00 0.66 C ATOM 571 CG1 VAL A 36 6.503 21.035 0.897 1.00 1.03 C ATOM 572 CG2 VAL A 36 5.747 20.294 3.124 1.00 0.85 C ATOM 0 H VAL A 36 7.686 18.142 3.393 1.00 0.39 H new ATOM 0 HA VAL A 36 5.797 18.395 1.096 1.00 0.58 H new ATOM 0 HB VAL A 36 7.816 20.261 2.440 1.00 0.66 H new ATOM 0 HG11 VAL A 36 6.535 22.061 1.264 1.00 1.03 H new ATOM 0 HG12 VAL A 36 7.239 20.910 0.103 1.00 1.03 H new ATOM 0 HG13 VAL A 36 5.508 20.820 0.506 1.00 1.03 H new ATOM 0 HG21 VAL A 36 5.788 21.325 3.474 1.00 0.85 H new ATOM 0 HG22 VAL A 36 4.761 20.091 2.707 1.00 0.85 H new ATOM 0 HG23 VAL A 36 5.933 19.620 3.960 1.00 0.85 H new ATOM 582 N GLY A 37 9.010 18.066 0.851 1.00 0.52 N ATOM 583 CA GLY A 37 10.161 17.783 -0.073 1.00 0.65 C ATOM 584 C GLY A 37 11.068 18.998 -0.197 1.00 0.77 C ATOM 585 O GLY A 37 11.228 19.799 0.716 1.00 0.66 O ATOM 0 H GLY A 37 9.249 18.010 1.841 1.00 0.52 H new ATOM 0 HA2 GLY A 37 10.733 16.934 0.301 1.00 0.65 H new ATOM 0 HA3 GLY A 37 9.783 17.504 -1.057 1.00 0.65 H new ATOM 589 N ASP A 38 11.710 19.101 -1.336 1.00 0.98 N ATOM 590 CA ASP A 38 12.591 20.253 -1.565 1.00 1.21 C ATOM 591 C ASP A 38 11.837 21.558 -1.245 1.00 1.29 C ATOM 592 O ASP A 38 10.620 21.634 -1.199 1.00 2.08 O ATOM 593 CB ASP A 38 13.041 20.235 -3.037 1.00 1.71 C ATOM 594 CG ASP A 38 13.710 18.975 -3.547 1.00 1.89 C ATOM 595 OD1 ASP A 38 13.244 17.904 -3.200 1.00 1.66 O ATOM 596 OD2 ASP A 38 14.671 19.244 -4.268 1.00 2.40 O ATOM 0 H ASP A 38 11.653 18.433 -2.104 1.00 0.98 H new ATOM 0 HA ASP A 38 13.465 20.197 -0.916 1.00 1.21 H new ATOM 0 HB2 ASP A 38 12.167 20.427 -3.659 1.00 1.71 H new ATOM 0 HB3 ASP A 38 13.729 21.067 -3.189 1.00 1.71 H new ATOM 601 N ILE A 39 12.595 22.593 -1.034 1.00 0.96 N ATOM 602 CA ILE A 39 11.941 23.866 -0.716 1.00 0.88 C ATOM 603 C ILE A 39 10.882 24.358 -1.778 1.00 1.30 C ATOM 604 O ILE A 39 11.084 24.977 -2.801 1.00 2.04 O ATOM 605 CB ILE A 39 13.127 24.781 -0.417 1.00 0.87 C ATOM 606 CG1 ILE A 39 12.492 25.962 0.301 1.00 0.80 C ATOM 607 CG2 ILE A 39 13.975 25.128 -1.638 1.00 1.10 C ATOM 608 CD1 ILE A 39 13.455 26.572 1.290 1.00 0.82 C ATOM 0 H ILE A 39 13.614 22.606 -1.069 1.00 0.96 H new ATOM 0 HA ILE A 39 11.264 23.814 0.136 1.00 0.88 H new ATOM 0 HB ILE A 39 13.884 24.301 0.204 1.00 0.87 H new ATOM 0 HG12 ILE A 39 12.187 26.714 -0.427 1.00 0.80 H new ATOM 0 HG13 ILE A 39 11.590 25.636 0.819 1.00 0.80 H new ATOM 0 HG21 ILE A 39 14.795 25.781 -1.338 1.00 1.10 H new ATOM 0 HG22 ILE A 39 14.379 24.214 -2.072 1.00 1.10 H new ATOM 0 HG23 ILE A 39 13.357 25.638 -2.377 1.00 1.10 H new ATOM 0 HD11 ILE A 39 12.978 27.414 1.790 1.00 0.82 H new ATOM 0 HD12 ILE A 39 13.739 25.824 2.030 1.00 0.82 H new ATOM 0 HD13 ILE A 39 14.345 26.919 0.765 1.00 0.82 H new ATOM 620 N ASN A 40 9.708 23.983 -1.340 1.00 1.25 N ATOM 621 CA ASN A 40 8.394 24.216 -2.000 1.00 2.02 C ATOM 622 C ASN A 40 7.782 25.452 -1.299 1.00 2.58 C ATOM 623 O ASN A 40 6.668 25.531 -0.815 1.00 3.98 O ATOM 624 CB ASN A 40 7.539 22.962 -1.817 1.00 2.11 C ATOM 625 CG ASN A 40 6.246 23.148 -2.582 1.00 3.20 C ATOM 626 OD1 ASN A 40 6.091 22.761 -3.715 1.00 2.47 O ATOM 627 ND2 ASN A 40 5.260 23.751 -2.014 1.00 5.55 N ATOM 0 H ASN A 40 9.608 23.474 -0.462 1.00 1.25 H new ATOM 0 HA ASN A 40 8.470 24.404 -3.071 1.00 2.02 H new ATOM 0 HB2 ASN A 40 8.072 22.084 -2.181 1.00 2.11 H new ATOM 0 HB3 ASN A 40 7.333 22.795 -0.760 1.00 2.11 H new ATOM 0 HD21 ASN A 40 4.385 23.887 -2.521 1.00 5.55 H new ATOM 0 HD22 ASN A 40 5.354 24.092 -1.057 1.00 5.55 H new ATOM 634 N THR A 41 8.698 26.371 -1.296 1.00 1.42 N ATOM 635 CA THR A 41 8.581 27.764 -0.748 1.00 1.50 C ATOM 636 C THR A 41 9.734 28.486 -1.440 1.00 1.29 C ATOM 637 O THR A 41 10.829 27.957 -1.467 1.00 1.33 O ATOM 638 CB THR A 41 8.787 27.869 0.809 1.00 1.44 C ATOM 639 OG1 THR A 41 9.846 27.011 1.178 1.00 1.10 O ATOM 640 CG2 THR A 41 7.603 27.321 1.586 1.00 1.87 C ATOM 0 H THR A 41 9.621 26.196 -1.693 1.00 1.42 H new ATOM 0 HA THR A 41 7.583 28.166 -0.925 1.00 1.50 H new ATOM 0 HB THR A 41 8.951 28.924 1.029 1.00 1.44 H new ATOM 0 HG1 THR A 41 9.507 26.096 1.275 1.00 1.10 H new ATOM 0 HG21 THR A 41 7.794 27.416 2.655 1.00 1.87 H new ATOM 0 HG22 THR A 41 6.706 27.883 1.326 1.00 1.87 H new ATOM 0 HG23 THR A 41 7.458 26.270 1.335 1.00 1.87 H new ATOM 648 N GLU A 42 9.536 29.646 -1.972 1.00 1.06 N ATOM 649 CA GLU A 42 10.667 30.347 -2.653 1.00 1.04 C ATOM 650 C GLU A 42 11.438 31.206 -1.640 1.00 0.93 C ATOM 651 O GLU A 42 10.909 31.581 -0.608 1.00 1.04 O ATOM 652 CB GLU A 42 10.074 31.215 -3.763 1.00 1.12 C ATOM 653 CG GLU A 42 9.398 30.332 -4.894 1.00 1.33 C ATOM 654 CD GLU A 42 8.030 29.711 -4.529 1.00 2.22 C ATOM 655 OE1 GLU A 42 7.478 30.007 -3.477 1.00 4.32 O ATOM 656 OE2 GLU A 42 7.612 28.944 -5.375 1.00 2.14 O ATOM 0 H GLU A 42 8.647 30.147 -1.971 1.00 1.06 H new ATOM 0 HA GLU A 42 11.368 29.629 -3.078 1.00 1.04 H new ATOM 0 HB2 GLU A 42 9.334 31.894 -3.339 1.00 1.12 H new ATOM 0 HB3 GLU A 42 10.858 31.832 -4.202 1.00 1.12 H new ATOM 0 HG2 GLU A 42 9.271 30.949 -5.784 1.00 1.33 H new ATOM 0 HG3 GLU A 42 10.083 29.527 -5.159 1.00 1.33 H new ATOM 663 N ARG A 43 12.678 31.500 -1.924 1.00 0.86 N ATOM 664 CA ARG A 43 13.431 32.328 -0.954 1.00 1.14 C ATOM 665 C ARG A 43 12.870 33.768 -0.968 1.00 1.48 C ATOM 666 O ARG A 43 12.741 34.321 -2.044 1.00 1.61 O ATOM 667 CB ARG A 43 14.884 32.282 -1.374 1.00 1.17 C ATOM 668 CG ARG A 43 15.723 32.811 -0.217 1.00 1.62 C ATOM 669 CD ARG A 43 17.179 32.804 -0.595 1.00 1.86 C ATOM 670 NE ARG A 43 17.889 33.003 0.713 1.00 2.49 N ATOM 671 CZ ARG A 43 18.336 34.130 1.100 1.00 2.85 C ATOM 672 NH1 ARG A 43 17.487 34.852 1.682 1.00 5.02 N ATOM 673 NH2 ARG A 43 19.537 34.503 0.925 1.00 2.09 N ATOM 0 H ARG A 43 13.185 31.211 -2.760 1.00 0.86 H new ATOM 0 HA ARG A 43 13.335 31.957 0.066 1.00 1.14 H new ATOM 0 HB2 ARG A 43 15.177 31.262 -1.623 1.00 1.17 H new ATOM 0 HB3 ARG A 43 15.042 32.886 -2.267 1.00 1.17 H new ATOM 0 HG2 ARG A 43 15.409 33.823 0.038 1.00 1.62 H new ATOM 0 HG3 ARG A 43 15.565 32.196 0.669 1.00 1.62 H new ATOM 0 HD2 ARG A 43 17.465 31.864 -1.067 1.00 1.86 H new ATOM 0 HD3 ARG A 43 17.413 33.600 -1.302 1.00 1.86 H new ATOM 0 HE ARG A 43 18.020 32.195 1.322 1.00 2.49 H new ATOM 0 HH11 ARG A 43 16.532 34.516 1.808 1.00 5.02 H new ATOM 0 HH12 ARG A 43 17.753 35.774 2.028 1.00 5.02 H new ATOM 0 HH21 ARG A 43 20.199 33.887 0.453 1.00 2.09 H new ATOM 0 HH22 ARG A 43 19.840 35.419 1.257 1.00 2.09 H new ATOM 687 N PRO A 44 12.555 34.323 0.194 1.00 1.65 N ATOM 688 CA PRO A 44 12.005 35.703 0.343 1.00 2.00 C ATOM 689 C PRO A 44 12.120 36.615 -0.884 1.00 2.07 C ATOM 690 O PRO A 44 11.169 37.201 -1.360 1.00 2.35 O ATOM 691 CB PRO A 44 12.745 36.175 1.599 1.00 2.21 C ATOM 692 CG PRO A 44 12.790 34.891 2.510 1.00 1.90 C ATOM 693 CD PRO A 44 12.723 33.675 1.536 1.00 1.56 C ATOM 0 HA PRO A 44 10.919 35.728 0.437 1.00 2.00 H new ATOM 0 HB2 PRO A 44 13.747 36.534 1.363 1.00 2.21 H new ATOM 0 HB3 PRO A 44 12.220 36.995 2.089 1.00 2.21 H new ATOM 0 HG2 PRO A 44 13.703 34.866 3.105 1.00 1.90 H new ATOM 0 HG3 PRO A 44 11.954 34.878 3.209 1.00 1.90 H new ATOM 0 HD2 PRO A 44 13.630 33.072 1.582 1.00 1.56 H new ATOM 0 HD3 PRO A 44 11.888 33.015 1.772 1.00 1.56 H new ATOM 701 N GLY A 45 13.332 36.705 -1.334 1.00 2.20 N ATOM 702 CA GLY A 45 13.664 37.541 -2.541 1.00 2.33 C ATOM 703 C GLY A 45 14.083 38.951 -2.162 1.00 1.78 C ATOM 704 O GLY A 45 15.113 39.446 -2.569 1.00 2.32 O ATOM 0 H GLY A 45 14.132 36.230 -0.917 1.00 2.20 H new ATOM 0 HA2 GLY A 45 14.467 37.063 -3.103 1.00 2.33 H new ATOM 0 HA3 GLY A 45 12.797 37.586 -3.200 1.00 2.33 H new ATOM 708 N MET A 46 13.221 39.534 -1.380 1.00 0.94 N ATOM 709 CA MET A 46 13.432 40.935 -0.889 1.00 1.03 C ATOM 710 C MET A 46 13.980 41.124 0.554 1.00 1.57 C ATOM 711 O MET A 46 15.070 41.622 0.740 1.00 2.11 O ATOM 712 CB MET A 46 12.076 41.674 -1.079 1.00 0.85 C ATOM 713 CG MET A 46 11.783 41.723 -2.603 1.00 0.89 C ATOM 714 SD MET A 46 10.397 42.734 -3.180 1.00 3.71 S ATOM 715 CE MET A 46 11.336 44.179 -3.741 1.00 6.13 C ATOM 0 H MET A 46 12.361 39.096 -1.051 1.00 0.94 H new ATOM 0 HA MET A 46 14.247 41.352 -1.480 1.00 1.03 H new ATOM 0 HB2 MET A 46 11.278 41.152 -0.551 1.00 0.85 H new ATOM 0 HB3 MET A 46 12.127 42.681 -0.665 1.00 0.85 H new ATOM 0 HG2 MET A 46 12.684 42.078 -3.103 1.00 0.89 H new ATOM 0 HG3 MET A 46 11.612 40.701 -2.941 1.00 0.89 H new ATOM 0 HE1 MET A 46 10.650 44.927 -4.137 1.00 6.13 H new ATOM 0 HE2 MET A 46 11.889 44.602 -2.902 1.00 6.13 H new ATOM 0 HE3 MET A 46 12.035 43.878 -4.521 1.00 6.13 H new ATOM 725 N LEU A 47 13.210 40.726 1.537 1.00 2.25 N ATOM 726 CA LEU A 47 13.602 40.852 2.990 1.00 2.73 C ATOM 727 C LEU A 47 14.161 39.521 3.575 1.00 3.66 C ATOM 728 O LEU A 47 13.713 38.473 3.157 1.00 4.95 O ATOM 729 CB LEU A 47 12.335 41.279 3.760 1.00 3.13 C ATOM 730 CG LEU A 47 11.590 42.457 3.085 1.00 2.65 C ATOM 731 CD1 LEU A 47 10.285 42.710 3.856 1.00 3.62 C ATOM 732 CD2 LEU A 47 12.441 43.724 3.147 1.00 2.08 C ATOM 0 H LEU A 47 12.293 40.303 1.394 1.00 2.25 H new ATOM 0 HA LEU A 47 14.403 41.585 3.087 1.00 2.73 H new ATOM 0 HB2 LEU A 47 11.660 40.427 3.841 1.00 3.13 H new ATOM 0 HB3 LEU A 47 12.611 41.564 4.775 1.00 3.13 H new ATOM 0 HG LEU A 47 11.389 42.208 2.043 1.00 2.65 H new ATOM 0 HD11 LEU A 47 9.745 43.537 3.396 1.00 3.62 H new ATOM 0 HD12 LEU A 47 9.667 41.813 3.829 1.00 3.62 H new ATOM 0 HD13 LEU A 47 10.517 42.960 4.891 1.00 3.62 H new ATOM 0 HD21 LEU A 47 11.906 44.545 2.669 1.00 2.08 H new ATOM 0 HD22 LEU A 47 12.640 43.978 4.188 1.00 2.08 H new ATOM 0 HD23 LEU A 47 13.384 43.554 2.628 1.00 2.08 H new ATOM 744 N ASP A 48 15.079 39.539 4.513 1.00 3.43 N ATOM 745 CA ASP A 48 15.628 38.266 5.098 1.00 4.26 C ATOM 746 C ASP A 48 15.391 38.308 6.636 1.00 3.04 C ATOM 747 O ASP A 48 15.571 39.364 7.199 1.00 2.56 O ATOM 748 CB ASP A 48 17.163 38.206 4.713 1.00 5.65 C ATOM 749 CG ASP A 48 17.443 37.345 3.475 1.00 6.62 C ATOM 750 OD1 ASP A 48 16.487 36.940 2.845 1.00 6.19 O ATOM 751 OD2 ASP A 48 18.594 37.083 3.161 1.00 7.99 O ATOM 0 H ASP A 48 15.478 40.392 4.905 1.00 3.43 H new ATOM 0 HA ASP A 48 15.142 37.369 4.715 1.00 4.26 H new ATOM 0 HB2 ASP A 48 17.525 39.218 4.533 1.00 5.65 H new ATOM 0 HB3 ASP A 48 17.727 37.811 5.558 1.00 5.65 H new ATOM 756 N PHE A 49 15.026 37.263 7.342 1.00 2.96 N ATOM 757 CA PHE A 49 14.789 37.334 8.842 1.00 1.97 C ATOM 758 C PHE A 49 14.106 35.988 9.172 1.00 1.44 C ATOM 759 O PHE A 49 14.398 35.052 8.458 1.00 1.52 O ATOM 760 CB PHE A 49 13.832 38.540 9.236 1.00 1.19 C ATOM 761 CG PHE A 49 12.493 38.577 8.468 1.00 2.17 C ATOM 762 CD1 PHE A 49 12.412 39.187 7.229 1.00 2.11 C ATOM 763 CD2 PHE A 49 11.351 38.010 9.004 1.00 4.36 C ATOM 764 CE1 PHE A 49 11.218 39.233 6.544 1.00 3.00 C ATOM 765 CE2 PHE A 49 10.154 38.056 8.315 1.00 5.76 C ATOM 766 CZ PHE A 49 10.089 38.669 7.085 1.00 4.85 C ATOM 0 H PHE A 49 14.876 36.337 6.941 1.00 2.96 H new ATOM 0 HA PHE A 49 15.716 37.500 9.390 1.00 1.97 H new ATOM 0 HB2 PHE A 49 13.621 38.485 10.304 1.00 1.19 H new ATOM 0 HB3 PHE A 49 14.361 39.477 9.063 1.00 1.19 H new ATOM 0 HD1 PHE A 49 13.295 39.632 6.794 1.00 2.11 H new ATOM 0 HD2 PHE A 49 11.395 37.527 9.969 1.00 4.36 H new ATOM 0 HE1 PHE A 49 11.170 39.714 5.578 1.00 3.00 H new ATOM 0 HE2 PHE A 49 9.268 37.610 8.743 1.00 5.76 H new ATOM 0 HZ PHE A 49 9.153 38.706 6.547 1.00 4.85 H new ATOM 776 N LYS A 50 13.262 35.837 10.171 1.00 1.09 N ATOM 777 CA LYS A 50 12.634 34.481 10.416 1.00 0.93 C ATOM 778 C LYS A 50 12.292 33.683 9.129 1.00 0.70 C ATOM 779 O LYS A 50 12.377 32.466 9.097 1.00 0.75 O ATOM 780 CB LYS A 50 11.362 34.685 11.249 1.00 0.77 C ATOM 781 CG LYS A 50 11.792 35.067 12.689 1.00 1.28 C ATOM 782 CD LYS A 50 10.562 35.144 13.604 1.00 1.36 C ATOM 783 CE LYS A 50 9.657 36.298 13.211 1.00 0.91 C ATOM 784 NZ LYS A 50 8.560 36.336 14.223 1.00 1.10 N ATOM 0 H LYS A 50 12.982 36.574 10.818 1.00 1.09 H new ATOM 0 HA LYS A 50 13.377 33.879 10.940 1.00 0.93 H new ATOM 0 HB2 LYS A 50 10.743 35.470 10.815 1.00 0.77 H new ATOM 0 HB3 LYS A 50 10.762 33.775 11.259 1.00 0.77 H new ATOM 0 HG2 LYS A 50 12.496 34.329 13.074 1.00 1.28 H new ATOM 0 HG3 LYS A 50 12.309 36.027 12.680 1.00 1.28 H new ATOM 0 HD2 LYS A 50 10.006 34.208 13.550 1.00 1.36 H new ATOM 0 HD3 LYS A 50 10.882 35.266 14.639 1.00 1.36 H new ATOM 0 HE2 LYS A 50 10.209 37.238 13.200 1.00 0.91 H new ATOM 0 HE3 LYS A 50 9.256 36.153 12.208 1.00 0.91 H new ATOM 0 HZ1 LYS A 50 7.907 37.114 13.999 1.00 1.10 H new ATOM 0 HZ2 LYS A 50 8.042 35.434 14.207 1.00 1.10 H new ATOM 0 HZ3 LYS A 50 8.965 36.486 15.169 1.00 1.10 H new ATOM 798 N GLY A 51 11.930 34.413 8.099 1.00 0.57 N ATOM 799 CA GLY A 51 11.571 33.781 6.788 1.00 0.44 C ATOM 800 C GLY A 51 12.913 33.309 6.252 1.00 0.47 C ATOM 801 O GLY A 51 13.118 32.118 6.175 1.00 0.88 O ATOM 0 H GLY A 51 11.867 35.431 8.112 1.00 0.57 H new ATOM 0 HA2 GLY A 51 10.875 32.952 6.918 1.00 0.44 H new ATOM 0 HA3 GLY A 51 11.096 34.494 6.114 1.00 0.44 H new ATOM 805 N LYS A 52 13.779 34.238 5.908 1.00 0.53 N ATOM 806 CA LYS A 52 15.141 33.839 5.380 1.00 0.60 C ATOM 807 C LYS A 52 15.688 32.639 6.158 1.00 0.55 C ATOM 808 O LYS A 52 16.182 31.698 5.577 1.00 0.64 O ATOM 809 CB LYS A 52 16.205 34.915 5.553 1.00 0.52 C ATOM 810 CG LYS A 52 17.523 34.416 4.890 1.00 1.84 C ATOM 811 CD LYS A 52 18.743 34.982 5.627 1.00 0.90 C ATOM 812 CE LYS A 52 20.012 34.761 4.796 1.00 0.66 C ATOM 813 NZ LYS A 52 20.280 33.292 4.638 1.00 1.05 N ATOM 0 H LYS A 52 13.611 35.242 5.966 1.00 0.53 H new ATOM 0 HA LYS A 52 14.971 33.636 4.323 1.00 0.60 H new ATOM 0 HB2 LYS A 52 15.879 35.848 5.093 1.00 0.52 H new ATOM 0 HB3 LYS A 52 16.367 35.121 6.611 1.00 0.52 H new ATOM 0 HG2 LYS A 52 17.555 33.327 4.905 1.00 1.84 H new ATOM 0 HG3 LYS A 52 17.549 34.721 3.844 1.00 1.84 H new ATOM 0 HD2 LYS A 52 18.603 36.047 5.814 1.00 0.90 H new ATOM 0 HD3 LYS A 52 18.847 34.499 6.598 1.00 0.90 H new ATOM 0 HE2 LYS A 52 19.899 35.225 3.816 1.00 0.66 H new ATOM 0 HE3 LYS A 52 20.861 35.243 5.281 1.00 0.66 H new ATOM 0 HZ1 LYS A 52 21.278 33.096 4.857 1.00 1.05 H new ATOM 0 HZ2 LYS A 52 19.671 32.756 5.289 1.00 1.05 H new ATOM 0 HZ3 LYS A 52 20.078 33.006 3.659 1.00 1.05 H new ATOM 827 N ALA A 53 15.572 32.724 7.460 1.00 0.47 N ATOM 828 CA ALA A 53 16.062 31.634 8.352 1.00 0.49 C ATOM 829 C ALA A 53 15.336 30.356 7.918 1.00 0.42 C ATOM 830 O ALA A 53 15.958 29.517 7.306 1.00 0.64 O ATOM 831 CB ALA A 53 15.739 32.057 9.797 1.00 0.47 C ATOM 0 H ALA A 53 15.152 33.515 7.947 1.00 0.47 H new ATOM 0 HA ALA A 53 17.135 31.452 8.292 1.00 0.49 H new ATOM 0 HB1 ALA A 53 16.081 31.286 10.487 1.00 0.47 H new ATOM 0 HB2 ALA A 53 16.244 32.996 10.023 1.00 0.47 H new ATOM 0 HB3 ALA A 53 14.662 32.189 9.905 1.00 0.47 H new ATOM 837 N LYS A 54 14.070 30.230 8.218 1.00 0.14 N ATOM 838 CA LYS A 54 13.337 28.989 7.794 1.00 0.11 C ATOM 839 C LYS A 54 13.620 28.569 6.325 1.00 0.11 C ATOM 840 O LYS A 54 13.792 27.395 6.026 1.00 0.25 O ATOM 841 CB LYS A 54 11.804 29.216 7.988 1.00 0.58 C ATOM 842 CG LYS A 54 11.268 28.601 9.337 1.00 2.12 C ATOM 843 CD LYS A 54 11.281 29.602 10.521 1.00 4.79 C ATOM 844 CE LYS A 54 10.257 30.722 10.311 1.00 5.11 C ATOM 845 NZ LYS A 54 8.862 30.158 10.320 1.00 6.76 N ATOM 0 H LYS A 54 13.515 30.917 8.729 1.00 0.14 H new ATOM 0 HA LYS A 54 13.699 28.174 8.421 1.00 0.11 H new ATOM 0 HB2 LYS A 54 11.593 30.285 7.971 1.00 0.58 H new ATOM 0 HB3 LYS A 54 11.266 28.772 7.151 1.00 0.58 H new ATOM 0 HG2 LYS A 54 10.250 28.244 9.185 1.00 2.12 H new ATOM 0 HG3 LYS A 54 11.874 27.734 9.598 1.00 2.12 H new ATOM 0 HD2 LYS A 54 11.061 29.074 11.449 1.00 4.79 H new ATOM 0 HD3 LYS A 54 12.277 30.032 10.627 1.00 4.79 H new ATOM 0 HE2 LYS A 54 10.360 31.471 11.097 1.00 5.11 H new ATOM 0 HE3 LYS A 54 10.447 31.226 9.363 1.00 5.11 H new ATOM 0 HZ1 LYS A 54 8.179 30.925 10.483 1.00 6.76 H new ATOM 0 HZ2 LYS A 54 8.664 29.707 9.404 1.00 6.76 H new ATOM 0 HZ3 LYS A 54 8.778 29.452 11.079 1.00 6.76 H new ATOM 859 N TRP A 55 13.675 29.535 5.434 1.00 0.19 N ATOM 860 CA TRP A 55 13.925 29.203 4.015 1.00 0.28 C ATOM 861 C TRP A 55 15.293 28.607 3.879 1.00 0.33 C ATOM 862 O TRP A 55 15.417 27.459 3.532 1.00 0.32 O ATOM 863 CB TRP A 55 13.820 30.469 3.119 1.00 0.35 C ATOM 864 CG TRP A 55 13.705 29.926 1.673 1.00 0.35 C ATOM 865 CD1 TRP A 55 12.539 29.618 1.011 1.00 0.33 C ATOM 866 CD2 TRP A 55 14.753 29.613 0.871 1.00 0.40 C ATOM 867 NE1 TRP A 55 12.965 29.131 -0.139 1.00 0.37 N ATOM 868 CE2 TRP A 55 14.267 29.089 -0.317 1.00 0.38 C ATOM 869 CE3 TRP A 55 16.134 29.715 1.043 1.00 0.45 C ATOM 870 CZ2 TRP A 55 15.113 28.671 -1.323 1.00 0.39 C ATOM 871 CZ3 TRP A 55 17.001 29.293 0.037 1.00 0.47 C ATOM 872 CH2 TRP A 55 16.493 28.769 -1.153 1.00 0.44 C ATOM 0 H TRP A 55 13.557 30.527 5.638 1.00 0.19 H new ATOM 0 HA TRP A 55 13.170 28.488 3.689 1.00 0.28 H new ATOM 0 HB2 TRP A 55 12.951 31.070 3.385 1.00 0.35 H new ATOM 0 HB3 TRP A 55 14.696 31.107 3.233 1.00 0.35 H new ATOM 0 HD1 TRP A 55 11.521 29.744 1.350 1.00 0.33 H new ATOM 0 HE1 TRP A 55 12.316 28.803 -0.855 1.00 0.37 H new ATOM 0 HE3 TRP A 55 16.533 30.123 1.960 1.00 0.45 H new ATOM 0 HZ2 TRP A 55 14.707 28.269 -2.240 1.00 0.39 H new ATOM 0 HZ3 TRP A 55 18.069 29.372 0.178 1.00 0.47 H new ATOM 0 HH2 TRP A 55 17.163 28.443 -1.935 1.00 0.44 H new ATOM 883 N ASP A 56 16.283 29.374 4.175 1.00 0.37 N ATOM 884 CA ASP A 56 17.682 28.862 4.066 1.00 0.40 C ATOM 885 C ASP A 56 17.787 27.514 4.810 1.00 0.40 C ATOM 886 O ASP A 56 18.305 26.553 4.281 1.00 0.41 O ATOM 887 CB ASP A 56 18.613 29.909 4.666 1.00 0.38 C ATOM 888 CG ASP A 56 18.995 30.979 3.659 1.00 0.44 C ATOM 889 OD1 ASP A 56 18.183 31.697 3.108 1.00 0.61 O ATOM 890 OD2 ASP A 56 20.187 31.077 3.470 1.00 0.44 O ATOM 0 H ASP A 56 16.197 30.340 4.491 1.00 0.37 H new ATOM 0 HA ASP A 56 17.964 28.691 3.027 1.00 0.40 H new ATOM 0 HB2 ASP A 56 18.128 30.376 5.523 1.00 0.38 H new ATOM 0 HB3 ASP A 56 19.515 29.422 5.036 1.00 0.38 H new ATOM 895 N ALA A 57 17.261 27.477 6.012 1.00 0.39 N ATOM 896 CA ALA A 57 17.270 26.261 6.882 1.00 0.38 C ATOM 897 C ALA A 57 16.665 25.026 6.189 1.00 0.31 C ATOM 898 O ALA A 57 17.131 23.919 6.372 1.00 0.29 O ATOM 899 CB ALA A 57 16.491 26.590 8.157 1.00 0.37 C ATOM 0 H ALA A 57 16.805 28.281 6.443 1.00 0.39 H new ATOM 0 HA ALA A 57 18.305 26.003 7.108 1.00 0.38 H new ATOM 0 HB1 ALA A 57 16.481 25.719 8.812 1.00 0.37 H new ATOM 0 HB2 ALA A 57 16.969 27.425 8.670 1.00 0.37 H new ATOM 0 HB3 ALA A 57 15.467 26.861 7.898 1.00 0.37 H new ATOM 905 N TRP A 58 15.637 25.227 5.409 1.00 0.28 N ATOM 906 CA TRP A 58 15.027 24.059 4.709 1.00 0.27 C ATOM 907 C TRP A 58 15.776 23.896 3.379 1.00 0.46 C ATOM 908 O TRP A 58 16.144 22.795 3.037 1.00 0.56 O ATOM 909 CB TRP A 58 13.578 24.365 4.521 1.00 0.32 C ATOM 910 CG TRP A 58 12.897 23.289 3.643 1.00 0.40 C ATOM 911 CD1 TRP A 58 13.364 22.046 3.238 1.00 0.41 C ATOM 912 CD2 TRP A 58 11.692 23.510 3.097 1.00 0.49 C ATOM 913 NE1 TRP A 58 12.372 21.631 2.458 1.00 0.48 N ATOM 914 CE2 TRP A 58 11.335 22.432 2.313 1.00 0.51 C ATOM 915 CE3 TRP A 58 10.831 24.599 3.218 1.00 0.58 C ATOM 916 CZ2 TRP A 58 10.119 22.434 1.630 1.00 0.56 C ATOM 917 CZ3 TRP A 58 9.623 24.603 2.544 1.00 0.63 C ATOM 918 CH2 TRP A 58 9.264 23.529 1.746 1.00 0.62 C ATOM 0 H TRP A 58 15.200 26.131 5.228 1.00 0.28 H new ATOM 0 HA TRP A 58 15.105 23.124 5.264 1.00 0.27 H new ATOM 0 HB2 TRP A 58 13.084 24.415 5.491 1.00 0.32 H new ATOM 0 HB3 TRP A 58 13.466 25.344 4.056 1.00 0.32 H new ATOM 0 HD1 TRP A 58 14.289 21.548 3.490 1.00 0.41 H new ATOM 0 HE1 TRP A 58 12.411 20.726 1.989 1.00 0.48 H new ATOM 0 HE3 TRP A 58 11.107 25.439 3.838 1.00 0.58 H new ATOM 0 HZ2 TRP A 58 9.841 21.591 1.014 1.00 0.56 H new ATOM 0 HZ3 TRP A 58 8.957 25.447 2.640 1.00 0.63 H new ATOM 0 HH2 TRP A 58 8.324 23.540 1.215 1.00 0.62 H new ATOM 929 N ASN A 59 16.005 24.955 2.657 1.00 0.53 N ATOM 930 CA ASN A 59 16.733 24.902 1.358 1.00 0.72 C ATOM 931 C ASN A 59 18.003 24.053 1.550 1.00 0.78 C ATOM 932 O ASN A 59 18.289 23.185 0.757 1.00 0.85 O ATOM 933 CB ASN A 59 17.026 26.340 1.000 1.00 0.80 C ATOM 934 CG ASN A 59 18.173 26.453 0.038 1.00 1.17 C ATOM 935 OD1 ASN A 59 18.172 25.882 -1.038 1.00 1.28 O ATOM 936 ND2 ASN A 59 19.167 27.192 0.423 1.00 1.46 N ATOM 0 H ASN A 59 15.705 25.893 2.925 1.00 0.53 H new ATOM 0 HA ASN A 59 16.168 24.438 0.549 1.00 0.72 H new ATOM 0 HB2 ASN A 59 16.137 26.793 0.561 1.00 0.80 H new ATOM 0 HB3 ASN A 59 17.255 26.901 1.906 1.00 0.80 H new ATOM 0 HD21 ASN A 59 19.980 27.309 -0.182 1.00 1.46 H new ATOM 0 HD22 ASN A 59 19.136 27.656 1.331 1.00 1.46 H new ATOM 943 N GLU A 60 18.701 24.345 2.613 1.00 0.77 N ATOM 944 CA GLU A 60 19.960 23.644 2.998 1.00 0.87 C ATOM 945 C GLU A 60 19.791 22.089 2.873 1.00 0.81 C ATOM 946 O GLU A 60 20.710 21.354 2.578 1.00 0.89 O ATOM 947 CB GLU A 60 20.269 24.083 4.447 1.00 0.85 C ATOM 948 CG GLU A 60 21.734 23.697 4.815 1.00 1.32 C ATOM 949 CD GLU A 60 22.727 24.701 4.199 1.00 3.47 C ATOM 950 OE1 GLU A 60 22.760 25.811 4.705 1.00 3.40 O ATOM 951 OE2 GLU A 60 23.401 24.304 3.265 1.00 5.53 O ATOM 0 H GLU A 60 18.433 25.082 3.265 1.00 0.77 H new ATOM 0 HA GLU A 60 20.787 23.905 2.338 1.00 0.87 H new ATOM 0 HB2 GLU A 60 20.131 25.159 4.548 1.00 0.85 H new ATOM 0 HB3 GLU A 60 19.573 23.606 5.137 1.00 0.85 H new ATOM 0 HG2 GLU A 60 21.851 23.679 5.899 1.00 1.32 H new ATOM 0 HG3 GLU A 60 21.953 22.692 4.455 1.00 1.32 H new ATOM 958 N LEU A 61 18.581 21.651 3.104 1.00 0.68 N ATOM 959 CA LEU A 61 18.182 20.201 3.051 1.00 0.59 C ATOM 960 C LEU A 61 17.478 19.778 1.757 1.00 0.61 C ATOM 961 O LEU A 61 17.402 18.611 1.427 1.00 0.56 O ATOM 962 CB LEU A 61 17.217 19.883 4.198 1.00 0.43 C ATOM 963 CG LEU A 61 17.661 20.448 5.546 1.00 0.50 C ATOM 964 CD1 LEU A 61 16.537 20.099 6.516 1.00 0.45 C ATOM 965 CD2 LEU A 61 18.930 19.732 6.025 1.00 0.62 C ATOM 0 H LEU A 61 17.807 22.272 3.341 1.00 0.68 H new ATOM 0 HA LEU A 61 19.122 19.653 3.120 1.00 0.59 H new ATOM 0 HB2 LEU A 61 16.232 20.281 3.954 1.00 0.43 H new ATOM 0 HB3 LEU A 61 17.112 18.801 4.284 1.00 0.43 H new ATOM 0 HG LEU A 61 17.862 21.517 5.480 1.00 0.50 H new ATOM 0 HD11 LEU A 61 16.784 20.473 7.509 1.00 0.45 H new ATOM 0 HD12 LEU A 61 15.608 20.557 6.176 1.00 0.45 H new ATOM 0 HD13 LEU A 61 16.414 19.017 6.556 1.00 0.45 H new ATOM 0 HD21 LEU A 61 19.238 20.142 6.987 1.00 0.62 H new ATOM 0 HD22 LEU A 61 18.728 18.666 6.133 1.00 0.62 H new ATOM 0 HD23 LEU A 61 19.727 19.878 5.296 1.00 0.62 H new ATOM 977 N LYS A 62 17.015 20.763 1.063 1.00 0.75 N ATOM 978 CA LYS A 62 16.270 20.623 -0.204 1.00 0.95 C ATOM 979 C LYS A 62 16.252 19.364 -1.027 1.00 1.10 C ATOM 980 O LYS A 62 15.200 19.071 -1.521 1.00 1.17 O ATOM 981 CB LYS A 62 16.708 21.855 -1.057 1.00 1.05 C ATOM 982 CG LYS A 62 15.936 21.943 -2.352 1.00 1.09 C ATOM 983 CD LYS A 62 16.442 23.114 -3.195 1.00 2.69 C ATOM 984 CE LYS A 62 17.703 22.724 -3.923 1.00 2.62 C ATOM 985 NZ LYS A 62 17.399 21.519 -4.773 1.00 2.22 N ATOM 0 H LYS A 62 17.134 21.735 1.348 1.00 0.75 H new ATOM 0 HA LYS A 62 15.229 20.560 0.113 1.00 0.95 H new ATOM 0 HB2 LYS A 62 16.557 22.768 -0.481 1.00 1.05 H new ATOM 0 HB3 LYS A 62 17.774 21.787 -1.273 1.00 1.05 H new ATOM 0 HG2 LYS A 62 16.042 21.013 -2.910 1.00 1.09 H new ATOM 0 HG3 LYS A 62 14.874 22.070 -2.142 1.00 1.09 H new ATOM 0 HD2 LYS A 62 15.677 23.413 -3.912 1.00 2.69 H new ATOM 0 HD3 LYS A 62 16.634 23.976 -2.556 1.00 2.69 H new ATOM 0 HE2 LYS A 62 18.055 23.548 -4.543 1.00 2.62 H new ATOM 0 HE3 LYS A 62 18.498 22.498 -3.213 1.00 2.62 H new ATOM 0 HZ1 LYS A 62 17.984 21.544 -5.632 1.00 2.22 H new ATOM 0 HZ2 LYS A 62 17.609 20.653 -4.236 1.00 2.22 H new ATOM 0 HZ3 LYS A 62 16.393 21.526 -5.038 1.00 2.22 H new ATOM 999 N GLY A 63 17.290 18.624 -1.170 1.00 1.16 N ATOM 1000 CA GLY A 63 17.261 17.363 -2.018 1.00 1.26 C ATOM 1001 C GLY A 63 17.586 16.058 -1.238 1.00 0.92 C ATOM 1002 O GLY A 63 17.709 15.006 -1.830 1.00 1.16 O ATOM 0 H GLY A 63 18.192 18.819 -0.737 1.00 1.16 H new ATOM 0 HA2 GLY A 63 16.274 17.266 -2.470 1.00 1.26 H new ATOM 0 HA3 GLY A 63 17.975 17.472 -2.834 1.00 1.26 H new ATOM 1006 N THR A 64 17.746 16.215 0.047 1.00 0.42 N ATOM 1007 CA THR A 64 18.049 15.108 1.036 1.00 0.35 C ATOM 1008 C THR A 64 17.121 13.877 0.875 1.00 0.30 C ATOM 1009 O THR A 64 16.360 13.753 -0.065 1.00 0.49 O ATOM 1010 CB THR A 64 17.947 15.812 2.425 1.00 0.67 C ATOM 1011 OG1 THR A 64 19.224 16.421 2.556 1.00 0.92 O ATOM 1012 CG2 THR A 64 17.880 14.949 3.694 1.00 0.77 C ATOM 0 H THR A 64 17.675 17.130 0.492 1.00 0.42 H new ATOM 0 HA THR A 64 19.034 14.666 0.884 1.00 0.35 H new ATOM 0 HB THR A 64 17.027 16.396 2.397 1.00 0.67 H new ATOM 0 HG1 THR A 64 19.175 17.352 2.255 1.00 0.92 H new ATOM 0 HG21 THR A 64 17.812 15.594 4.570 1.00 0.77 H new ATOM 0 HG22 THR A 64 17.002 14.304 3.650 1.00 0.77 H new ATOM 0 HG23 THR A 64 18.778 14.335 3.764 1.00 0.77 H new ATOM 1020 N SER A 65 17.175 12.963 1.801 1.00 0.53 N ATOM 1021 CA SER A 65 16.298 11.749 1.705 1.00 0.72 C ATOM 1022 C SER A 65 15.060 12.194 2.482 1.00 0.45 C ATOM 1023 O SER A 65 15.118 13.104 3.289 1.00 1.36 O ATOM 1024 CB SER A 65 16.979 10.523 2.397 1.00 1.21 C ATOM 1025 OG SER A 65 15.926 9.706 2.934 1.00 3.39 O ATOM 0 H SER A 65 17.783 12.997 2.619 1.00 0.53 H new ATOM 0 HA SER A 65 16.087 11.431 0.684 1.00 0.72 H new ATOM 0 HB2 SER A 65 17.578 9.959 1.681 1.00 1.21 H new ATOM 0 HB3 SER A 65 17.653 10.852 3.188 1.00 1.21 H new ATOM 0 HG SER A 65 16.209 8.768 2.937 1.00 3.39 H new ATOM 1031 N LYS A 66 13.957 11.549 2.265 1.00 0.87 N ATOM 1032 CA LYS A 66 12.730 11.970 3.003 1.00 0.54 C ATOM 1033 C LYS A 66 12.735 11.131 4.271 1.00 0.50 C ATOM 1034 O LYS A 66 12.465 11.572 5.365 1.00 0.48 O ATOM 1035 CB LYS A 66 11.503 11.690 2.099 1.00 0.68 C ATOM 1036 CG LYS A 66 11.431 10.206 1.629 1.00 0.78 C ATOM 1037 CD LYS A 66 10.090 10.002 0.905 1.00 1.02 C ATOM 1038 CE LYS A 66 10.054 8.736 0.025 1.00 2.85 C ATOM 1039 NZ LYS A 66 10.749 7.590 0.706 1.00 3.70 N ATOM 0 H LYS A 66 13.845 10.764 1.624 1.00 0.87 H new ATOM 0 HA LYS A 66 12.695 13.029 3.258 1.00 0.54 H new ATOM 0 HB2 LYS A 66 10.592 11.940 2.642 1.00 0.68 H new ATOM 0 HB3 LYS A 66 11.543 12.342 1.226 1.00 0.68 H new ATOM 0 HG2 LYS A 66 12.263 9.976 0.963 1.00 0.78 H new ATOM 0 HG3 LYS A 66 11.510 9.532 2.482 1.00 0.78 H new ATOM 0 HD2 LYS A 66 9.292 9.944 1.645 1.00 1.02 H new ATOM 0 HD3 LYS A 66 9.885 10.873 0.283 1.00 1.02 H new ATOM 0 HE2 LYS A 66 9.020 8.465 -0.187 1.00 2.85 H new ATOM 0 HE3 LYS A 66 10.533 8.940 -0.933 1.00 2.85 H new ATOM 0 HZ1 LYS A 66 10.540 6.707 0.199 1.00 3.70 H new ATOM 0 HZ2 LYS A 66 11.776 7.756 0.704 1.00 3.70 H new ATOM 0 HZ3 LYS A 66 10.412 7.513 1.687 1.00 3.70 H new ATOM 1053 N GLU A 67 13.083 9.904 4.050 1.00 0.51 N ATOM 1054 CA GLU A 67 13.161 8.887 5.122 1.00 0.55 C ATOM 1055 C GLU A 67 14.185 9.290 6.192 1.00 0.60 C ATOM 1056 O GLU A 67 13.950 9.180 7.375 1.00 0.63 O ATOM 1057 CB GLU A 67 13.489 7.560 4.354 1.00 0.75 C ATOM 1058 CG GLU A 67 12.236 6.598 4.291 1.00 1.78 C ATOM 1059 CD GLU A 67 11.900 5.985 5.657 1.00 3.63 C ATOM 1060 OE1 GLU A 67 12.870 5.676 6.336 1.00 4.86 O ATOM 1061 OE2 GLU A 67 10.711 5.863 5.926 1.00 4.90 O ATOM 0 H GLU A 67 13.328 9.549 3.126 1.00 0.51 H new ATOM 0 HA GLU A 67 12.243 8.772 5.698 1.00 0.55 H new ATOM 0 HB2 GLU A 67 13.818 7.797 3.342 1.00 0.75 H new ATOM 0 HB3 GLU A 67 14.316 7.049 4.847 1.00 0.75 H new ATOM 0 HG2 GLU A 67 11.373 7.153 3.923 1.00 1.78 H new ATOM 0 HG3 GLU A 67 12.430 5.799 3.575 1.00 1.78 H new ATOM 1068 N ASP A 68 15.327 9.754 5.802 1.00 0.64 N ATOM 1069 CA ASP A 68 16.369 10.168 6.781 1.00 0.70 C ATOM 1070 C ASP A 68 15.855 11.322 7.637 1.00 0.72 C ATOM 1071 O ASP A 68 15.928 11.305 8.850 1.00 0.79 O ATOM 1072 CB ASP A 68 17.531 10.481 5.897 1.00 0.76 C ATOM 1073 CG ASP A 68 18.072 9.218 5.220 1.00 1.09 C ATOM 1074 OD1 ASP A 68 17.292 8.310 4.928 1.00 1.33 O ATOM 1075 OD2 ASP A 68 19.263 9.254 5.025 1.00 2.13 O ATOM 0 H ASP A 68 15.594 9.869 4.824 1.00 0.64 H new ATOM 0 HA ASP A 68 16.649 9.424 7.526 1.00 0.70 H new ATOM 0 HB2 ASP A 68 17.229 11.202 5.138 1.00 0.76 H new ATOM 0 HB3 ASP A 68 18.322 10.949 6.484 1.00 0.76 H new ATOM 1080 N ALA A 69 15.349 12.288 6.928 1.00 0.68 N ATOM 1081 CA ALA A 69 14.777 13.503 7.572 1.00 0.71 C ATOM 1082 C ALA A 69 13.709 12.955 8.545 1.00 0.60 C ATOM 1083 O ALA A 69 13.698 13.370 9.683 1.00 0.61 O ATOM 1084 CB ALA A 69 14.226 14.366 6.452 1.00 0.75 C ATOM 0 H ALA A 69 15.306 12.288 5.909 1.00 0.68 H new ATOM 0 HA ALA A 69 15.472 14.127 8.133 1.00 0.71 H new ATOM 0 HB1 ALA A 69 13.793 15.274 6.872 1.00 0.75 H new ATOM 0 HB2 ALA A 69 15.031 14.631 5.767 1.00 0.75 H new ATOM 0 HB3 ALA A 69 13.457 13.814 5.912 1.00 0.75 H new ATOM 1090 N MET A 70 12.859 12.070 8.073 1.00 0.48 N ATOM 1091 CA MET A 70 11.809 11.450 8.916 1.00 0.37 C ATOM 1092 C MET A 70 12.454 10.870 10.206 1.00 0.41 C ATOM 1093 O MET A 70 12.103 11.238 11.310 1.00 0.41 O ATOM 1094 CB MET A 70 11.161 10.357 8.059 1.00 0.33 C ATOM 1095 CG MET A 70 10.069 10.920 7.139 1.00 0.39 C ATOM 1096 SD MET A 70 8.970 9.754 6.296 1.00 0.58 S ATOM 1097 CE MET A 70 7.527 10.817 6.039 1.00 0.40 C ATOM 0 H MET A 70 12.859 11.749 7.105 1.00 0.48 H new ATOM 0 HA MET A 70 11.055 12.169 9.237 1.00 0.37 H new ATOM 0 HB2 MET A 70 11.926 9.868 7.456 1.00 0.33 H new ATOM 0 HB3 MET A 70 10.731 9.595 8.708 1.00 0.33 H new ATOM 0 HG2 MET A 70 9.449 11.592 7.732 1.00 0.39 H new ATOM 0 HG3 MET A 70 10.557 11.527 6.377 1.00 0.39 H new ATOM 0 HE1 MET A 70 6.747 10.254 5.527 1.00 0.40 H new ATOM 0 HE2 MET A 70 7.153 11.162 7.003 1.00 0.40 H new ATOM 0 HE3 MET A 70 7.812 11.676 5.432 1.00 0.40 H new ATOM 1107 N LYS A 71 13.398 9.981 10.001 1.00 0.45 N ATOM 1108 CA LYS A 71 14.123 9.317 11.129 1.00 0.51 C ATOM 1109 C LYS A 71 14.691 10.377 12.095 1.00 0.55 C ATOM 1110 O LYS A 71 14.290 10.494 13.236 1.00 0.52 O ATOM 1111 CB LYS A 71 15.325 8.461 10.607 1.00 0.59 C ATOM 1112 CG LYS A 71 14.919 7.306 9.648 1.00 0.51 C ATOM 1113 CD LYS A 71 16.268 6.752 9.069 1.00 0.40 C ATOM 1114 CE LYS A 71 16.129 5.927 7.778 1.00 2.12 C ATOM 1115 NZ LYS A 71 15.503 6.805 6.751 1.00 3.98 N ATOM 0 H LYS A 71 13.702 9.682 9.075 1.00 0.45 H new ATOM 0 HA LYS A 71 13.405 8.673 11.637 1.00 0.51 H new ATOM 0 HB2 LYS A 71 16.026 9.117 10.091 1.00 0.59 H new ATOM 0 HB3 LYS A 71 15.854 8.039 11.462 1.00 0.59 H new ATOM 0 HG2 LYS A 71 14.371 6.528 10.180 1.00 0.51 H new ATOM 0 HG3 LYS A 71 14.268 7.667 8.851 1.00 0.51 H new ATOM 0 HD2 LYS A 71 16.936 7.592 8.876 1.00 0.40 H new ATOM 0 HD3 LYS A 71 16.746 6.133 9.829 1.00 0.40 H new ATOM 0 HE2 LYS A 71 17.104 5.577 7.440 1.00 2.12 H new ATOM 0 HE3 LYS A 71 15.516 5.043 7.952 1.00 2.12 H new ATOM 0 HZ1 LYS A 71 14.614 6.376 6.423 1.00 3.98 H new ATOM 0 HZ2 LYS A 71 15.305 7.738 7.166 1.00 3.98 H new ATOM 0 HZ3 LYS A 71 16.152 6.915 5.946 1.00 3.98 H new ATOM 1129 N ALA A 72 15.615 11.153 11.577 1.00 0.62 N ATOM 1130 CA ALA A 72 16.273 12.218 12.380 1.00 0.69 C ATOM 1131 C ALA A 72 15.238 13.090 13.082 1.00 0.52 C ATOM 1132 O ALA A 72 15.338 13.369 14.256 1.00 0.39 O ATOM 1133 CB ALA A 72 17.140 13.011 11.399 1.00 0.89 C ATOM 0 H ALA A 72 15.942 11.087 10.613 1.00 0.62 H new ATOM 0 HA ALA A 72 16.888 11.803 13.179 1.00 0.69 H new ATOM 0 HB1 ALA A 72 17.652 13.812 11.932 1.00 0.89 H new ATOM 0 HB2 ALA A 72 17.877 12.348 10.946 1.00 0.89 H new ATOM 0 HB3 ALA A 72 16.509 13.439 10.620 1.00 0.89 H new ATOM 1139 N TYR A 73 14.261 13.492 12.325 1.00 0.53 N ATOM 1140 CA TYR A 73 13.169 14.347 12.852 1.00 0.43 C ATOM 1141 C TYR A 73 12.563 13.665 14.079 1.00 0.26 C ATOM 1142 O TYR A 73 12.574 14.213 15.159 1.00 0.27 O ATOM 1143 CB TYR A 73 12.129 14.502 11.744 1.00 0.43 C ATOM 1144 CG TYR A 73 11.018 15.432 12.189 1.00 0.44 C ATOM 1145 CD1 TYR A 73 11.160 16.780 11.973 1.00 0.51 C ATOM 1146 CD2 TYR A 73 9.881 14.953 12.804 1.00 0.39 C ATOM 1147 CE1 TYR A 73 10.184 17.648 12.365 1.00 0.55 C ATOM 1148 CE2 TYR A 73 8.903 15.835 13.199 1.00 0.43 C ATOM 1149 CZ TYR A 73 9.047 17.182 12.985 1.00 0.51 C ATOM 1150 OH TYR A 73 8.068 18.049 13.419 1.00 0.57 O ATOM 0 H TYR A 73 14.172 13.257 11.336 1.00 0.53 H new ATOM 0 HA TYR A 73 13.533 15.330 13.149 1.00 0.43 H new ATOM 0 HB2 TYR A 73 12.603 14.895 10.844 1.00 0.43 H new ATOM 0 HB3 TYR A 73 11.715 13.527 11.486 1.00 0.43 H new ATOM 0 HD1 TYR A 73 12.050 17.155 11.490 1.00 0.51 H new ATOM 0 HD2 TYR A 73 9.759 13.893 12.974 1.00 0.39 H new ATOM 0 HE1 TYR A 73 10.304 18.707 12.188 1.00 0.55 H new ATOM 0 HE2 TYR A 73 8.012 15.463 13.683 1.00 0.43 H new ATOM 0 HH TYR A 73 8.256 18.319 14.342 1.00 0.57 H new ATOM 1160 N ILE A 74 12.070 12.479 13.847 1.00 0.15 N ATOM 1161 CA ILE A 74 11.434 11.690 14.951 1.00 0.11 C ATOM 1162 C ILE A 74 12.352 11.669 16.169 1.00 0.17 C ATOM 1163 O ILE A 74 11.906 12.007 17.241 1.00 0.21 O ATOM 1164 CB ILE A 74 11.156 10.254 14.483 1.00 0.32 C ATOM 1165 CG1 ILE A 74 10.088 10.308 13.357 1.00 0.14 C ATOM 1166 CG2 ILE A 74 10.532 9.492 15.697 1.00 0.73 C ATOM 1167 CD1 ILE A 74 10.091 8.971 12.612 1.00 0.22 C ATOM 0 H ILE A 74 12.078 12.017 12.938 1.00 0.15 H new ATOM 0 HA ILE A 74 10.490 12.162 15.222 1.00 0.11 H new ATOM 0 HB ILE A 74 12.065 9.770 14.126 1.00 0.32 H new ATOM 0 HG12 ILE A 74 9.102 10.502 13.780 1.00 0.14 H new ATOM 0 HG13 ILE A 74 10.306 11.124 12.669 1.00 0.14 H new ATOM 0 HG21 ILE A 74 10.317 8.463 15.409 1.00 0.73 H new ATOM 0 HG22 ILE A 74 11.235 9.497 16.530 1.00 0.73 H new ATOM 0 HG23 ILE A 74 9.608 9.984 16.000 1.00 0.73 H new ATOM 0 HD11 ILE A 74 9.345 8.995 11.818 1.00 0.22 H new ATOM 0 HD12 ILE A 74 11.076 8.798 12.179 1.00 0.22 H new ATOM 0 HD13 ILE A 74 9.854 8.166 13.308 1.00 0.22 H new ATOM 1179 N ASP A 75 13.590 11.307 15.996 1.00 0.24 N ATOM 1180 CA ASP A 75 14.510 11.273 17.159 1.00 0.41 C ATOM 1181 C ASP A 75 14.655 12.663 17.785 1.00 0.27 C ATOM 1182 O ASP A 75 14.451 12.865 18.963 1.00 0.24 O ATOM 1183 CB ASP A 75 15.781 10.695 16.580 1.00 0.66 C ATOM 1184 CG ASP A 75 15.565 9.196 16.550 1.00 1.14 C ATOM 1185 OD1 ASP A 75 15.513 8.650 17.639 1.00 1.40 O ATOM 1186 OD2 ASP A 75 15.460 8.703 15.443 1.00 1.31 O ATOM 0 H ASP A 75 14.002 11.035 15.103 1.00 0.24 H new ATOM 0 HA ASP A 75 14.162 10.668 17.996 1.00 0.41 H new ATOM 0 HB2 ASP A 75 15.970 11.085 15.580 1.00 0.66 H new ATOM 0 HB3 ASP A 75 16.645 10.955 17.192 1.00 0.66 H new ATOM 1191 N LYS A 76 15.005 13.625 16.979 1.00 0.23 N ATOM 1192 CA LYS A 76 15.168 15.020 17.490 1.00 0.21 C ATOM 1193 C LYS A 76 13.920 15.363 18.320 1.00 0.20 C ATOM 1194 O LYS A 76 14.029 15.779 19.457 1.00 0.27 O ATOM 1195 CB LYS A 76 15.329 15.974 16.270 1.00 0.20 C ATOM 1196 CG LYS A 76 16.710 16.743 16.351 1.00 0.22 C ATOM 1197 CD LYS A 76 16.706 17.896 17.442 1.00 0.13 C ATOM 1198 CE LYS A 76 18.130 18.519 17.553 1.00 0.38 C ATOM 1199 NZ LYS A 76 18.140 19.787 18.388 1.00 2.16 N ATOM 0 H LYS A 76 15.187 13.507 15.982 1.00 0.23 H new ATOM 0 HA LYS A 76 16.050 15.125 18.122 1.00 0.21 H new ATOM 0 HB2 LYS A 76 15.278 15.402 15.344 1.00 0.20 H new ATOM 0 HB3 LYS A 76 14.507 16.690 16.249 1.00 0.20 H new ATOM 0 HG2 LYS A 76 17.504 16.033 16.582 1.00 0.22 H new ATOM 0 HG3 LYS A 76 16.940 17.172 15.376 1.00 0.22 H new ATOM 0 HD2 LYS A 76 15.982 18.665 17.170 1.00 0.13 H new ATOM 0 HD3 LYS A 76 16.398 17.495 18.408 1.00 0.13 H new ATOM 0 HE2 LYS A 76 18.810 17.790 17.995 1.00 0.38 H new ATOM 0 HE3 LYS A 76 18.506 18.741 16.554 1.00 0.38 H new ATOM 0 HZ1 LYS A 76 19.063 19.887 18.856 1.00 2.16 H new ATOM 0 HZ2 LYS A 76 17.972 20.609 17.773 1.00 2.16 H new ATOM 0 HZ3 LYS A 76 17.391 19.735 19.108 1.00 2.16 H new ATOM 1213 N VAL A 77 12.758 15.165 17.747 1.00 0.14 N ATOM 1214 CA VAL A 77 11.497 15.475 18.483 1.00 0.13 C ATOM 1215 C VAL A 77 11.486 14.618 19.754 1.00 0.14 C ATOM 1216 O VAL A 77 11.243 15.119 20.829 1.00 0.22 O ATOM 1217 CB VAL A 77 10.281 15.139 17.591 1.00 0.10 C ATOM 1218 CG1 VAL A 77 9.018 15.477 18.403 1.00 0.19 C ATOM 1219 CG2 VAL A 77 10.259 16.051 16.339 1.00 0.30 C ATOM 0 H VAL A 77 12.630 14.802 16.802 1.00 0.14 H new ATOM 0 HA VAL A 77 11.443 16.532 18.742 1.00 0.13 H new ATOM 0 HB VAL A 77 10.330 14.093 17.288 1.00 0.10 H new ATOM 0 HG11 VAL A 77 8.132 15.254 17.808 1.00 0.19 H new ATOM 0 HG12 VAL A 77 9.002 14.881 19.315 1.00 0.19 H new ATOM 0 HG13 VAL A 77 9.024 16.536 18.661 1.00 0.19 H new ATOM 0 HG21 VAL A 77 9.396 15.801 15.722 1.00 0.30 H new ATOM 0 HG22 VAL A 77 10.193 17.094 16.650 1.00 0.30 H new ATOM 0 HG23 VAL A 77 11.172 15.901 15.763 1.00 0.30 H new ATOM 1229 N GLU A 78 11.740 13.349 19.611 1.00 0.16 N ATOM 1230 CA GLU A 78 11.763 12.430 20.790 1.00 0.23 C ATOM 1231 C GLU A 78 12.577 13.095 21.916 1.00 0.33 C ATOM 1232 O GLU A 78 12.179 13.112 23.069 1.00 0.40 O ATOM 1233 CB GLU A 78 12.412 11.127 20.396 1.00 0.18 C ATOM 1234 CG GLU A 78 12.255 10.180 21.608 1.00 0.37 C ATOM 1235 CD GLU A 78 11.214 9.092 21.335 1.00 1.10 C ATOM 1236 OE1 GLU A 78 10.168 9.372 20.762 1.00 1.77 O ATOM 1237 OE2 GLU A 78 11.562 8.007 21.758 1.00 1.64 O ATOM 0 H GLU A 78 11.936 12.900 18.716 1.00 0.16 H new ATOM 0 HA GLU A 78 10.747 12.234 21.133 1.00 0.23 H new ATOM 0 HB2 GLU A 78 11.935 10.707 19.510 1.00 0.18 H new ATOM 0 HB3 GLU A 78 13.464 11.275 20.152 1.00 0.18 H new ATOM 0 HG2 GLU A 78 13.215 9.718 21.837 1.00 0.37 H new ATOM 0 HG3 GLU A 78 11.961 10.755 22.486 1.00 0.37 H new ATOM 1244 N GLU A 79 13.705 13.646 21.554 1.00 0.36 N ATOM 1245 CA GLU A 79 14.555 14.319 22.582 1.00 0.52 C ATOM 1246 C GLU A 79 13.765 15.557 23.068 1.00 0.44 C ATOM 1247 O GLU A 79 13.528 15.729 24.249 1.00 0.55 O ATOM 1248 CB GLU A 79 15.892 14.741 21.944 1.00 0.62 C ATOM 1249 CG GLU A 79 16.701 13.484 21.445 1.00 0.72 C ATOM 1250 CD GLU A 79 18.207 13.754 21.622 1.00 1.59 C ATOM 1251 OE1 GLU A 79 18.548 13.886 22.789 1.00 2.92 O ATOM 1252 OE2 GLU A 79 18.914 13.821 20.624 1.00 1.82 O ATOM 0 H GLU A 79 14.072 13.660 20.603 1.00 0.36 H new ATOM 0 HA GLU A 79 14.780 13.657 23.418 1.00 0.52 H new ATOM 0 HB2 GLU A 79 15.703 15.413 21.106 1.00 0.62 H new ATOM 0 HB3 GLU A 79 16.486 15.296 22.670 1.00 0.62 H new ATOM 0 HG2 GLU A 79 16.408 12.599 22.010 1.00 0.72 H new ATOM 0 HG3 GLU A 79 16.475 13.282 20.398 1.00 0.72 H new ATOM 1259 N LEU A 80 13.370 16.398 22.150 1.00 0.30 N ATOM 1260 CA LEU A 80 12.584 17.624 22.539 1.00 0.29 C ATOM 1261 C LEU A 80 11.465 17.267 23.503 1.00 0.54 C ATOM 1262 O LEU A 80 11.111 18.004 24.391 1.00 1.01 O ATOM 1263 CB LEU A 80 11.932 18.287 21.326 1.00 0.20 C ATOM 1264 CG LEU A 80 12.952 18.675 20.267 1.00 0.29 C ATOM 1265 CD1 LEU A 80 12.218 19.550 19.287 1.00 0.53 C ATOM 1266 CD2 LEU A 80 14.129 19.465 20.822 1.00 0.73 C ATOM 0 H LEU A 80 13.552 16.298 21.151 1.00 0.30 H new ATOM 0 HA LEU A 80 13.296 18.306 23.002 1.00 0.29 H new ATOM 0 HB2 LEU A 80 11.200 17.606 20.891 1.00 0.20 H new ATOM 0 HB3 LEU A 80 11.389 19.175 21.648 1.00 0.20 H new ATOM 0 HG LEU A 80 13.366 17.768 19.827 1.00 0.29 H new ATOM 0 HD11 LEU A 80 12.900 19.864 18.497 1.00 0.53 H new ATOM 0 HD12 LEU A 80 11.390 18.992 18.851 1.00 0.53 H new ATOM 0 HD13 LEU A 80 11.832 20.429 19.803 1.00 0.53 H new ATOM 0 HD21 LEU A 80 14.818 19.709 20.013 1.00 0.73 H new ATOM 0 HD22 LEU A 80 13.766 20.385 21.279 1.00 0.73 H new ATOM 0 HD23 LEU A 80 14.647 18.867 21.572 1.00 0.73 H new ATOM 1278 N LYS A 81 10.935 16.105 23.308 1.00 0.26 N ATOM 1279 CA LYS A 81 9.823 15.571 24.147 1.00 0.51 C ATOM 1280 C LYS A 81 10.402 15.295 25.526 1.00 0.60 C ATOM 1281 O LYS A 81 9.863 15.763 26.508 1.00 0.76 O ATOM 1282 CB LYS A 81 9.304 14.289 23.481 1.00 0.45 C ATOM 1283 CG LYS A 81 8.319 13.520 24.388 1.00 0.53 C ATOM 1284 CD LYS A 81 8.060 12.089 23.824 1.00 1.23 C ATOM 1285 CE LYS A 81 7.477 12.121 22.417 1.00 0.67 C ATOM 1286 NZ LYS A 81 6.851 10.785 22.164 1.00 0.84 N ATOM 0 H LYS A 81 11.236 15.469 22.569 1.00 0.26 H new ATOM 0 HA LYS A 81 8.990 16.267 24.242 1.00 0.51 H new ATOM 0 HB2 LYS A 81 8.810 14.543 22.543 1.00 0.45 H new ATOM 0 HB3 LYS A 81 10.147 13.644 23.233 1.00 0.45 H new ATOM 0 HG2 LYS A 81 8.723 13.452 25.398 1.00 0.53 H new ATOM 0 HG3 LYS A 81 7.378 14.066 24.458 1.00 0.53 H new ATOM 0 HD2 LYS A 81 8.995 11.529 23.815 1.00 1.23 H new ATOM 0 HD3 LYS A 81 7.377 11.558 24.486 1.00 1.23 H new ATOM 0 HE2 LYS A 81 6.737 12.916 22.326 1.00 0.67 H new ATOM 0 HE3 LYS A 81 8.256 12.326 21.683 1.00 0.67 H new ATOM 0 HZ1 LYS A 81 6.051 10.895 21.509 1.00 0.84 H new ATOM 0 HZ2 LYS A 81 7.556 10.145 21.746 1.00 0.84 H new ATOM 0 HZ3 LYS A 81 6.510 10.386 23.062 1.00 0.84 H new ATOM 1300 N LYS A 82 11.490 14.574 25.538 1.00 0.56 N ATOM 1301 CA LYS A 82 12.133 14.245 26.842 1.00 0.71 C ATOM 1302 C LYS A 82 12.558 15.533 27.597 1.00 0.73 C ATOM 1303 O LYS A 82 12.550 15.546 28.810 1.00 0.54 O ATOM 1304 CB LYS A 82 13.363 13.354 26.572 1.00 0.75 C ATOM 1305 CG LYS A 82 12.933 11.964 26.072 1.00 0.87 C ATOM 1306 CD LYS A 82 14.220 11.092 26.049 1.00 1.60 C ATOM 1307 CE LYS A 82 13.925 9.597 25.979 1.00 1.70 C ATOM 1308 NZ LYS A 82 13.314 9.191 27.291 1.00 3.21 N ATOM 0 H LYS A 82 11.957 14.202 24.711 1.00 0.56 H new ATOM 0 HA LYS A 82 11.418 13.716 27.472 1.00 0.71 H new ATOM 0 HB2 LYS A 82 14.006 13.829 25.831 1.00 0.75 H new ATOM 0 HB3 LYS A 82 13.950 13.251 27.484 1.00 0.75 H new ATOM 0 HG2 LYS A 82 12.181 11.530 26.730 1.00 0.87 H new ATOM 0 HG3 LYS A 82 12.489 12.028 25.079 1.00 0.87 H new ATOM 0 HD2 LYS A 82 14.830 11.377 25.192 1.00 1.60 H new ATOM 0 HD3 LYS A 82 14.809 11.299 26.943 1.00 1.60 H new ATOM 0 HE2 LYS A 82 13.244 9.379 25.156 1.00 1.70 H new ATOM 0 HE3 LYS A 82 14.840 9.035 25.793 1.00 1.70 H new ATOM 0 HZ1 LYS A 82 13.426 8.166 27.423 1.00 3.21 H new ATOM 0 HZ2 LYS A 82 13.791 9.694 28.066 1.00 3.21 H new ATOM 0 HZ3 LYS A 82 12.302 9.432 27.292 1.00 3.21 H new ATOM 1322 N LYS A 83 12.928 16.536 26.842 1.00 1.03 N ATOM 1323 CA LYS A 83 13.387 17.887 27.349 1.00 1.15 C ATOM 1324 C LYS A 83 12.378 19.000 27.686 1.00 1.27 C ATOM 1325 O LYS A 83 12.430 19.608 28.731 1.00 1.56 O ATOM 1326 CB LYS A 83 14.346 18.438 26.296 1.00 0.74 C ATOM 1327 CG LYS A 83 15.291 19.574 26.822 1.00 0.89 C ATOM 1328 CD LYS A 83 16.512 19.010 27.620 1.00 3.30 C ATOM 1329 CE LYS A 83 17.360 18.094 26.716 1.00 4.12 C ATOM 1330 NZ LYS A 83 17.877 18.888 25.553 1.00 4.10 N ATOM 0 H LYS A 83 12.933 16.475 25.824 1.00 1.03 H new ATOM 0 HA LYS A 83 13.791 17.653 28.334 1.00 1.15 H new ATOM 0 HB2 LYS A 83 14.957 17.620 25.913 1.00 0.74 H new ATOM 0 HB3 LYS A 83 13.766 18.822 25.457 1.00 0.74 H new ATOM 0 HG2 LYS A 83 15.652 20.163 25.979 1.00 0.89 H new ATOM 0 HG3 LYS A 83 14.722 20.249 27.462 1.00 0.89 H new ATOM 0 HD2 LYS A 83 17.123 19.832 27.993 1.00 3.30 H new ATOM 0 HD3 LYS A 83 16.162 18.453 28.489 1.00 3.30 H new ATOM 0 HE2 LYS A 83 18.191 17.673 27.282 1.00 4.12 H new ATOM 0 HE3 LYS A 83 16.759 17.256 26.361 1.00 4.12 H new ATOM 0 HZ1 LYS A 83 18.675 18.384 25.116 1.00 4.10 H new ATOM 0 HZ2 LYS A 83 17.119 19.010 24.851 1.00 4.10 H new ATOM 0 HZ3 LYS A 83 18.196 19.821 25.884 1.00 4.10 H new ATOM 1344 N TYR A 84 11.517 19.218 26.751 1.00 1.16 N ATOM 1345 CA TYR A 84 10.444 20.259 26.839 1.00 1.53 C ATOM 1346 C TYR A 84 8.984 19.759 26.744 1.00 2.88 C ATOM 1347 O TYR A 84 8.095 20.596 26.812 1.00 4.44 O ATOM 1348 CB TYR A 84 10.611 21.281 25.698 1.00 1.60 C ATOM 1349 CG TYR A 84 12.040 21.718 25.417 1.00 1.17 C ATOM 1350 CD1 TYR A 84 12.631 22.731 26.132 1.00 1.04 C ATOM 1351 CD2 TYR A 84 12.745 21.091 24.412 1.00 1.56 C ATOM 1352 CE1 TYR A 84 13.919 23.116 25.840 1.00 1.53 C ATOM 1353 CE2 TYR A 84 14.033 21.478 24.123 1.00 2.26 C ATOM 1354 CZ TYR A 84 14.622 22.491 24.835 1.00 2.30 C ATOM 1355 OH TYR A 84 15.905 22.867 24.515 1.00 3.18 O ATOM 0 H TYR A 84 11.503 18.693 25.876 1.00 1.16 H new ATOM 0 HA TYR A 84 10.583 20.671 27.838 1.00 1.53 H new ATOM 0 HB2 TYR A 84 10.194 20.853 24.786 1.00 1.60 H new ATOM 0 HB3 TYR A 84 10.019 22.165 25.935 1.00 1.60 H new ATOM 0 HD1 TYR A 84 12.085 23.225 26.922 1.00 1.04 H new ATOM 0 HD2 TYR A 84 12.284 20.293 23.849 1.00 1.56 H new ATOM 0 HE1 TYR A 84 14.381 23.913 26.403 1.00 1.53 H new ATOM 0 HE2 TYR A 84 14.581 20.983 23.335 1.00 2.26 H new ATOM 0 HH TYR A 84 16.050 22.750 23.553 1.00 3.18 H new ATOM 1365 N GLY A 85 8.672 18.485 26.615 1.00 2.34 N ATOM 1366 CA GLY A 85 7.210 18.134 26.514 1.00 3.76 C ATOM 1367 C GLY A 85 6.475 18.150 27.824 1.00 2.54 C ATOM 1368 O GLY A 85 5.582 17.358 28.071 1.00 3.14 O ATOM 0 H GLY A 85 9.329 17.706 26.576 1.00 2.34 H new ATOM 0 HA2 GLY A 85 6.727 18.834 25.832 1.00 3.76 H new ATOM 0 HA3 GLY A 85 7.117 17.142 26.071 1.00 3.76 H new ATOM 1372 N ILE A 86 6.861 19.086 28.638 1.00 1.87 N ATOM 1373 CA ILE A 86 6.232 19.217 29.953 1.00 3.08 C ATOM 1374 C ILE A 86 6.393 20.612 30.551 1.00 4.43 C ATOM 1375 O ILE A 86 5.449 21.010 31.206 1.00 5.91 O ATOM 1376 CB ILE A 86 6.849 18.096 30.838 1.00 3.10 C ATOM 1377 CG1 ILE A 86 6.154 18.082 32.225 1.00 4.88 C ATOM 1378 CG2 ILE A 86 8.370 18.356 31.024 1.00 3.85 C ATOM 1379 CD1 ILE A 86 6.600 16.831 32.998 1.00 5.17 C ATOM 1380 OXT ILE A 86 7.430 21.200 30.322 1.00 4.72 O ATOM 0 H ILE A 86 7.593 19.767 28.437 1.00 1.87 H new ATOM 0 HA ILE A 86 5.151 19.096 29.881 1.00 3.08 H new ATOM 0 HB ILE A 86 6.702 17.132 30.350 1.00 3.10 H new ATOM 0 HG12 ILE A 86 6.412 18.981 32.784 1.00 4.88 H new ATOM 0 HG13 ILE A 86 5.071 18.082 32.103 1.00 4.88 H new ATOM 0 HG21 ILE A 86 8.800 17.570 31.644 1.00 3.85 H new ATOM 0 HG22 ILE A 86 8.860 18.359 30.050 1.00 3.85 H new ATOM 0 HG23 ILE A 86 8.518 19.321 31.508 1.00 3.85 H new ATOM 0 HD11 ILE A 86 6.115 16.814 33.974 1.00 5.17 H new ATOM 0 HD12 ILE A 86 6.320 15.938 32.439 1.00 5.17 H new ATOM 0 HD13 ILE A 86 7.682 16.851 33.130 1.00 5.17 H new TER 1392 ILE A 86