USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 961 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: B 206 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.53) USER MOD Set 1.2: B 207 SER OG : rot 180:sc= -0.0532 USER MOD Set 2.1: A 55 THR OG1 : rot 80:sc= 0.902 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -145:sc= 1.93 (180deg=0.661) USER MOD Set 3.1: A 84 GLN : amide:sc= -0.0988 X(o=1.8,f=1.6) USER MOD Set 3.2: A 87 CYS SG : rot 99:sc= 1.88 USER MOD Set 4.1: A 69 LYS NZ :NH3+ 169:sc= 0.73! (180deg=-0.767!) USER MOD Set 4.2: A 76 THR OG1 : rot -170:sc= 1.12 USER MOD Set 5.1: A 39 ASN : amide:sc= 0.152 K(o=0.85,f=-3) USER MOD Set 5.2: A 40 SER OG : rot -17:sc= 0.699 USER MOD Set 6.1: A 26 ASN : amide:sc= -0.238 X(o=-0.73,f=-0.94) USER MOD Set 6.2: B 208 HIS : no HD1:sc= -0.487 X(o=-0.73,f=-0.94) USER MOD Set 7.1: A 24 HIS : no HE2:sc= 0.207 K(o=0.21,f=-5.2!) USER MOD Set 7.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 10 THR OG1 : rot 80:sc= 0.926 USER MOD Set 8.2: A 19 SER OG : rot -30:sc= 0.535 USER MOD Set 9.1: A 3 LYS NZ :NH3+ 167:sc= 2.19 (180deg=0.871) USER MOD Set 9.2: A 9 GLN : amide:sc= 1.18 K(o=3.4,f=-5.5) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.185) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.5 (180deg=-0.917) USER MOD Single : A 4 THR OG1 : rot 2:sc= 0.59 USER MOD Single : A 7 MET CE :methyl 163:sc= -0.0565 (180deg=-0.427) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.0884 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 37 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.4!) USER MOD Single : A 49 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.042) USER MOD Single : A 62 GLN : amide:sc= -4.91! C(o=-4.9!,f=-7.5!) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0633 (180deg=-0.395) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 2.46 (180deg=1.73) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00205 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.1) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -51:sc= 1.3 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.6!) USER MOD Single : A 90 MET CE :methyl 178:sc= 0 (180deg=-0.00795) USER MOD Single : A 96 SER OG : rot -40:sc= 1.2 USER MOD Single : A 97 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.31) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HD1:sc= 0.0298 K(o=1.7,f=-8.8!) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc=-0.00176 X(o=-0.0018,f=0) USER MOD Single : B 199 LYS NZ :NH3+ -144:sc= -0.238 (180deg=-0.68) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 204 MET CE :methyl 138:sc= -0.0167 (180deg=-0.428) USER MOD Single : B 205 THR OG1 : rot 180:sc= -0.515 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.461 -12.741 -10.650 1.00 1.79 N ATOM 2 CA MET A 1 -3.834 -12.398 -9.259 1.00 1.50 C ATOM 3 C MET A 1 -5.347 -12.477 -9.064 1.00 1.45 C ATOM 4 O MET A 1 -5.817 -13.103 -8.114 1.00 2.06 O ATOM 5 CB MET A 1 -3.303 -11.003 -8.872 1.00 1.78 C ATOM 6 CG MET A 1 -3.521 -9.920 -9.920 1.00 2.07 C ATOM 7 SD MET A 1 -5.091 -9.055 -9.715 1.00 2.89 S ATOM 8 CE MET A 1 -5.175 -8.138 -11.251 1.00 2.97 C ATOM 0 H1 MET A 1 -2.476 -12.456 -10.826 1.00 1.79 H new ATOM 0 H2 MET A 1 -3.555 -13.767 -10.792 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.089 -12.241 -11.311 1.00 1.79 H new ATOM 0 HA MET A 1 -3.370 -13.130 -8.598 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.783 -10.692 -7.944 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.235 -11.081 -8.668 1.00 1.78 H new ATOM 0 HG2 MET A 1 -2.705 -9.200 -9.867 1.00 2.07 H new ATOM 0 HG3 MET A 1 -3.486 -10.369 -10.913 1.00 2.07 H new ATOM 0 HE1 MET A 1 -5.994 -7.421 -11.202 1.00 2.97 H new ATOM 0 HE2 MET A 1 -4.236 -7.607 -11.409 1.00 2.97 H new ATOM 0 HE3 MET A 1 -5.345 -8.828 -12.078 1.00 2.97 H new ATOM 20 N ALA A 2 -6.103 -11.855 -9.971 1.00 1.41 N ATOM 21 CA ALA A 2 -7.563 -11.849 -9.913 1.00 1.47 C ATOM 22 C ALA A 2 -8.072 -11.425 -8.534 1.00 1.31 C ATOM 23 O ALA A 2 -8.971 -12.054 -7.970 1.00 1.40 O ATOM 24 CB ALA A 2 -8.107 -13.218 -10.291 1.00 1.83 C ATOM 0 H ALA A 2 -5.719 -11.342 -10.765 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.925 -11.114 -10.632 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.196 -13.202 -10.244 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -7.791 -13.468 -11.304 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -7.725 -13.966 -9.596 1.00 1.83 H new ATOM 30 N LYS A 3 -7.499 -10.352 -7.997 1.00 1.21 N ATOM 31 CA LYS A 3 -7.892 -9.864 -6.683 1.00 1.10 C ATOM 32 C LYS A 3 -9.198 -9.076 -6.759 1.00 1.05 C ATOM 33 O LYS A 3 -9.203 -7.849 -6.866 1.00 1.21 O ATOM 34 CB LYS A 3 -6.784 -9.009 -6.061 1.00 1.11 C ATOM 35 CG LYS A 3 -7.004 -8.735 -4.585 1.00 1.22 C ATOM 36 CD LYS A 3 -5.694 -8.509 -3.854 1.00 1.18 C ATOM 37 CE LYS A 3 -5.799 -8.898 -2.389 1.00 1.23 C ATOM 38 NZ LYS A 3 -5.931 -10.371 -2.213 1.00 1.47 N ATOM 0 H LYS A 3 -6.765 -9.808 -8.450 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.054 -10.731 -6.042 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -5.827 -9.513 -6.192 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -6.721 -8.061 -6.595 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.641 -7.858 -4.469 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -7.532 -9.575 -4.134 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -4.905 -9.091 -4.330 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.408 -7.460 -3.933 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -4.916 -8.547 -1.856 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -6.660 -8.401 -1.942 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -5.779 -10.616 -1.214 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -6.884 -10.671 -2.502 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.222 -10.856 -2.800 1.00 1.47 H new ATOM 52 N THR A 4 -10.301 -9.806 -6.733 1.00 1.06 N ATOM 53 CA THR A 4 -11.630 -9.221 -6.784 1.00 1.06 C ATOM 54 C THR A 4 -12.645 -10.190 -6.184 1.00 1.13 C ATOM 55 O THR A 4 -13.455 -9.816 -5.336 1.00 1.27 O ATOM 56 CB THR A 4 -12.042 -8.855 -8.230 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.167 -7.845 -8.755 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.480 -8.358 -8.282 1.00 1.23 C ATOM 0 H THR A 4 -10.299 -10.824 -6.676 1.00 1.06 H new ATOM 0 HA THR A 4 -11.611 -8.300 -6.202 1.00 1.06 H new ATOM 0 HB THR A 4 -11.964 -9.757 -8.838 1.00 1.12 H new ATOM 0 HG1 THR A 4 -10.476 -7.635 -8.093 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.742 -8.108 -9.310 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.148 -9.138 -7.917 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.581 -7.471 -7.656 1.00 1.23 H new ATOM 66 N GLU A 5 -12.580 -11.442 -6.616 1.00 1.20 N ATOM 67 CA GLU A 5 -13.489 -12.467 -6.124 1.00 1.33 C ATOM 68 C GLU A 5 -12.880 -13.214 -4.940 1.00 1.31 C ATOM 69 O GLU A 5 -12.509 -14.384 -5.055 1.00 1.58 O ATOM 70 CB GLU A 5 -13.833 -13.450 -7.240 1.00 1.56 C ATOM 71 CG GLU A 5 -14.684 -12.841 -8.342 1.00 1.73 C ATOM 72 CD GLU A 5 -16.051 -12.414 -7.848 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.677 -13.179 -7.085 1.00 2.37 O ATOM 74 OE2 GLU A 5 -16.508 -11.313 -8.217 1.00 2.15 O ATOM 0 H GLU A 5 -11.906 -11.772 -7.307 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.402 -11.976 -5.788 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -12.909 -13.832 -7.674 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.361 -14.302 -6.813 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -14.167 -11.978 -8.762 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.802 -13.565 -9.148 1.00 1.73 H new ATOM 81 N GLU A 6 -12.767 -12.530 -3.809 1.00 1.20 N ATOM 82 CA GLU A 6 -12.209 -13.138 -2.603 1.00 1.19 C ATOM 83 C GLU A 6 -13.047 -12.782 -1.374 1.00 1.14 C ATOM 84 O GLU A 6 -13.846 -13.590 -0.898 1.00 1.26 O ATOM 85 CB GLU A 6 -10.760 -12.686 -2.375 1.00 1.16 C ATOM 86 CG GLU A 6 -9.844 -12.887 -3.572 1.00 1.41 C ATOM 87 CD GLU A 6 -8.440 -12.388 -3.318 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.252 -11.161 -3.184 1.00 1.83 O ATOM 89 OE2 GLU A 6 -7.514 -13.219 -3.248 1.00 1.64 O ATOM 0 H GLU A 6 -13.053 -11.557 -3.699 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.225 -14.218 -2.748 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -10.760 -11.630 -2.106 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.351 -13.232 -1.524 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -9.809 -13.947 -3.825 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.260 -12.367 -4.435 1.00 1.41 H new ATOM 96 N MET A 7 -12.851 -11.559 -0.877 1.00 1.05 N ATOM 97 CA MET A 7 -13.553 -11.050 0.311 1.00 1.09 C ATOM 98 C MET A 7 -13.260 -11.924 1.533 1.00 1.12 C ATOM 99 O MET A 7 -14.057 -12.008 2.466 1.00 1.32 O ATOM 100 CB MET A 7 -15.064 -10.950 0.064 1.00 1.22 C ATOM 101 CG MET A 7 -15.742 -9.884 0.914 1.00 1.44 C ATOM 102 SD MET A 7 -17.527 -9.795 0.651 1.00 1.75 S ATOM 103 CE MET A 7 -18.050 -11.377 1.303 1.00 2.16 C ATOM 0 H MET A 7 -12.200 -10.889 -1.286 1.00 1.05 H new ATOM 0 HA MET A 7 -13.180 -10.046 0.512 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.240 -10.731 -0.989 1.00 1.22 H new ATOM 0 HB3 MET A 7 -15.524 -11.916 0.270 1.00 1.22 H new ATOM 0 HG2 MET A 7 -15.546 -10.088 1.967 1.00 1.44 H new ATOM 0 HG3 MET A 7 -15.299 -8.914 0.690 1.00 1.44 H new ATOM 0 HE1 MET A 7 -19.123 -11.356 1.492 1.00 2.16 H new ATOM 0 HE2 MET A 7 -17.824 -12.161 0.580 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.522 -11.579 2.235 1.00 2.16 H new ATOM 113 N VAL A 8 -12.099 -12.563 1.521 1.00 1.13 N ATOM 114 CA VAL A 8 -11.680 -13.430 2.614 1.00 1.22 C ATOM 115 C VAL A 8 -10.257 -13.089 3.045 1.00 1.14 C ATOM 116 O VAL A 8 -9.352 -13.919 2.984 1.00 1.34 O ATOM 117 CB VAL A 8 -11.765 -14.923 2.223 1.00 1.45 C ATOM 118 CG1 VAL A 8 -13.201 -15.415 2.312 1.00 1.70 C ATOM 119 CG2 VAL A 8 -11.208 -15.153 0.823 1.00 1.49 C ATOM 0 H VAL A 8 -11.424 -12.496 0.759 1.00 1.13 H new ATOM 0 HA VAL A 8 -12.362 -13.260 3.447 1.00 1.22 H new ATOM 0 HB VAL A 8 -11.158 -15.493 2.927 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -13.243 -16.468 2.033 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -13.564 -15.295 3.333 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -13.827 -14.835 1.634 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -11.279 -16.211 0.572 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -11.782 -14.570 0.103 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -10.164 -14.842 0.791 1.00 1.49 H new ATOM 129 N GLN A 9 -10.066 -11.845 3.455 1.00 0.97 N ATOM 130 CA GLN A 9 -8.760 -11.372 3.895 1.00 0.93 C ATOM 131 C GLN A 9 -8.815 -10.971 5.373 1.00 0.91 C ATOM 132 O GLN A 9 -9.475 -11.637 6.168 1.00 0.98 O ATOM 133 CB GLN A 9 -8.331 -10.195 3.019 1.00 0.89 C ATOM 134 CG GLN A 9 -8.488 -10.459 1.530 1.00 1.00 C ATOM 135 CD GLN A 9 -7.364 -11.302 0.958 1.00 1.20 C ATOM 136 OE1 GLN A 9 -6.397 -10.774 0.412 1.00 1.49 O ATOM 137 NE2 GLN A 9 -7.477 -12.612 1.088 1.00 1.43 N ATOM 0 H GLN A 9 -10.802 -11.140 3.493 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.024 -12.170 3.794 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -8.920 -9.318 3.289 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.289 -9.956 3.230 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.439 -10.962 1.354 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -8.528 -9.508 1.000 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -8.296 -13.010 1.548 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -6.745 -13.225 0.729 1.00 1.43 H new ATOM 146 N THR A 10 -8.128 -9.893 5.740 1.00 0.91 N ATOM 147 CA THR A 10 -8.120 -9.425 7.121 1.00 0.91 C ATOM 148 C THR A 10 -9.476 -8.827 7.493 1.00 0.88 C ATOM 149 O THR A 10 -9.942 -7.877 6.861 1.00 0.82 O ATOM 150 CB THR A 10 -7.011 -8.380 7.343 1.00 0.89 C ATOM 151 OG1 THR A 10 -5.781 -8.852 6.771 1.00 0.98 O ATOM 152 CG2 THR A 10 -6.808 -8.101 8.824 1.00 0.96 C ATOM 0 H THR A 10 -7.570 -9.328 5.100 1.00 0.91 H new ATOM 0 HA THR A 10 -7.922 -10.284 7.762 1.00 0.91 H new ATOM 0 HB THR A 10 -7.315 -7.453 6.857 1.00 0.89 H new ATOM 0 HG1 THR A 10 -5.792 -8.702 5.803 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.019 -7.360 8.950 1.00 0.96 H new ATOM 0 HG22 THR A 10 -7.735 -7.721 9.253 1.00 0.96 H new ATOM 0 HG23 THR A 10 -6.524 -9.023 9.332 1.00 0.96 H new ATOM 160 N GLU A 11 -10.109 -9.398 8.512 1.00 0.99 N ATOM 161 CA GLU A 11 -11.422 -8.947 8.958 1.00 1.04 C ATOM 162 C GLU A 11 -11.341 -7.665 9.784 1.00 1.02 C ATOM 163 O GLU A 11 -10.318 -7.369 10.406 1.00 1.03 O ATOM 164 CB GLU A 11 -12.098 -10.047 9.777 1.00 1.19 C ATOM 165 CG GLU A 11 -13.606 -9.897 9.872 1.00 1.29 C ATOM 166 CD GLU A 11 -14.244 -10.996 10.687 1.00 1.51 C ATOM 167 OE1 GLU A 11 -14.456 -12.097 10.141 1.00 1.58 O ATOM 168 OE2 GLU A 11 -14.538 -10.763 11.875 1.00 1.89 O ATOM 0 H GLU A 11 -9.731 -10.179 9.048 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.012 -8.728 8.068 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -11.865 -11.014 9.332 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -11.678 -10.049 10.783 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -13.845 -8.932 10.319 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -14.032 -9.898 8.869 1.00 1.29 H new ATOM 175 N GLU A 12 -12.435 -6.915 9.773 1.00 1.07 N ATOM 176 CA GLU A 12 -12.545 -5.671 10.516 1.00 1.10 C ATOM 177 C GLU A 12 -13.975 -5.543 11.036 1.00 1.22 C ATOM 178 O GLU A 12 -14.845 -6.319 10.638 1.00 1.54 O ATOM 179 CB GLU A 12 -12.185 -4.479 9.618 1.00 1.07 C ATOM 180 CG GLU A 12 -12.005 -3.163 10.363 1.00 1.18 C ATOM 181 CD GLU A 12 -11.203 -3.317 11.637 1.00 1.74 C ATOM 182 OE1 GLU A 12 -9.963 -3.189 11.586 1.00 2.23 O ATOM 183 OE2 GLU A 12 -11.811 -3.566 12.696 1.00 2.22 O ATOM 0 H GLU A 12 -13.274 -7.155 9.245 1.00 1.07 H new ATOM 0 HA GLU A 12 -11.849 -5.676 11.355 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.264 -4.708 9.082 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -12.967 -4.355 8.869 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.508 -2.446 9.710 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -12.984 -2.749 10.603 1.00 1.18 H new ATOM 190 N MET A 13 -14.210 -4.585 11.923 1.00 1.20 N ATOM 191 CA MET A 13 -15.537 -4.368 12.495 1.00 1.31 C ATOM 192 C MET A 13 -16.566 -4.039 11.419 1.00 1.28 C ATOM 193 O MET A 13 -17.728 -4.427 11.525 1.00 1.46 O ATOM 194 CB MET A 13 -15.499 -3.238 13.525 1.00 1.40 C ATOM 195 CG MET A 13 -14.933 -3.656 14.872 1.00 1.63 C ATOM 196 SD MET A 13 -15.255 -2.441 16.167 1.00 1.83 S ATOM 197 CE MET A 13 -14.433 -3.217 17.558 1.00 2.25 C ATOM 0 H MET A 13 -13.496 -3.941 12.265 1.00 1.20 H new ATOM 0 HA MET A 13 -15.834 -5.296 12.983 1.00 1.31 H new ATOM 0 HB2 MET A 13 -14.901 -2.417 13.129 1.00 1.40 H new ATOM 0 HB3 MET A 13 -16.510 -2.855 13.669 1.00 1.40 H new ATOM 0 HG2 MET A 13 -15.365 -4.614 15.162 1.00 1.63 H new ATOM 0 HG3 MET A 13 -13.857 -3.806 14.779 1.00 1.63 H new ATOM 0 HE1 MET A 13 -14.541 -2.588 18.441 1.00 2.25 H new ATOM 0 HE2 MET A 13 -14.883 -4.191 17.749 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.375 -3.345 17.330 1.00 2.25 H new ATOM 207 N GLU A 14 -16.143 -3.318 10.391 1.00 1.19 N ATOM 208 CA GLU A 14 -17.044 -2.948 9.309 1.00 1.18 C ATOM 209 C GLU A 14 -16.680 -3.683 8.026 1.00 1.09 C ATOM 210 O GLU A 14 -17.514 -4.364 7.434 1.00 1.18 O ATOM 211 CB GLU A 14 -17.014 -1.439 9.069 1.00 1.19 C ATOM 212 CG GLU A 14 -18.058 -0.964 8.069 1.00 1.29 C ATOM 213 CD GLU A 14 -17.981 0.525 7.813 1.00 1.54 C ATOM 214 OE1 GLU A 14 -17.666 1.273 8.759 1.00 2.02 O ATOM 215 OE2 GLU A 14 -18.232 0.955 6.666 1.00 2.13 O ATOM 0 H GLU A 14 -15.187 -2.979 10.283 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.053 -3.236 9.604 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.170 -0.925 10.017 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.024 -1.155 8.712 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -17.925 -1.498 7.128 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.052 -1.215 8.440 1.00 1.29 H new ATOM 222 N THR A 15 -15.433 -3.540 7.604 1.00 0.98 N ATOM 223 CA THR A 15 -14.953 -4.176 6.387 1.00 0.90 C ATOM 224 C THR A 15 -14.926 -5.702 6.523 1.00 0.94 C ATOM 225 O THR A 15 -14.193 -6.250 7.350 1.00 0.98 O ATOM 226 CB THR A 15 -13.549 -3.654 6.043 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.146 -2.686 7.027 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.530 -3.014 4.662 1.00 0.91 C ATOM 0 H THR A 15 -14.730 -2.984 8.091 1.00 0.98 H new ATOM 0 HA THR A 15 -15.643 -3.925 5.582 1.00 0.90 H new ATOM 0 HB THR A 15 -12.856 -4.495 6.042 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.250 -2.353 6.811 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.525 -2.653 4.442 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.822 -3.752 3.915 1.00 0.91 H new ATOM 0 HG23 THR A 15 -14.229 -2.178 4.639 1.00 0.91 H new ATOM 236 N PRO A 16 -15.729 -6.408 5.707 1.00 0.97 N ATOM 237 CA PRO A 16 -15.817 -7.870 5.748 1.00 1.04 C ATOM 238 C PRO A 16 -14.606 -8.570 5.131 1.00 0.96 C ATOM 239 O PRO A 16 -14.704 -9.173 4.062 1.00 0.96 O ATOM 240 CB PRO A 16 -17.080 -8.169 4.938 1.00 1.12 C ATOM 241 CG PRO A 16 -17.188 -7.034 3.977 1.00 1.07 C ATOM 242 CD PRO A 16 -16.625 -5.831 4.685 1.00 0.98 C ATOM 0 HA PRO A 16 -15.845 -8.238 6.774 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.000 -9.123 4.417 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -17.958 -8.229 5.581 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.632 -7.243 3.063 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.225 -6.866 3.688 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -16.082 -5.181 3.999 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.413 -5.229 5.138 1.00 0.98 H new ATOM 250 N ARG A 17 -13.466 -8.466 5.814 1.00 0.95 N ATOM 251 CA ARG A 17 -12.221 -9.106 5.383 1.00 0.92 C ATOM 252 C ARG A 17 -11.710 -8.521 4.070 1.00 0.82 C ATOM 253 O ARG A 17 -11.837 -9.132 3.006 1.00 0.83 O ATOM 254 CB ARG A 17 -12.407 -10.622 5.267 1.00 1.01 C ATOM 255 CG ARG A 17 -13.085 -11.230 6.481 1.00 1.13 C ATOM 256 CD ARG A 17 -12.652 -12.663 6.716 1.00 1.19 C ATOM 257 NE ARG A 17 -13.099 -13.148 8.015 1.00 1.38 N ATOM 258 CZ ARG A 17 -12.851 -14.364 8.485 1.00 1.67 C ATOM 259 NH1 ARG A 17 -12.134 -15.225 7.773 1.00 1.84 N ATOM 260 NH2 ARG A 17 -13.307 -14.701 9.678 1.00 1.94 N ATOM 0 H ARG A 17 -13.379 -7.936 6.681 1.00 0.95 H new ATOM 0 HA ARG A 17 -11.467 -8.905 6.144 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -12.998 -10.843 4.378 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -11.434 -11.092 5.127 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.853 -10.632 7.363 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -14.166 -11.195 6.347 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -13.056 -13.300 5.929 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -11.566 -12.731 6.655 1.00 1.19 H new ATOM 0 HE ARG A 17 -13.638 -12.511 8.602 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -11.770 -14.953 6.860 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -11.947 -16.158 8.139 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -13.843 -14.029 10.227 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -13.123 -15.633 10.050 1.00 1.94 H new ATOM 274 N LEU A 18 -11.103 -7.343 4.160 1.00 0.75 N ATOM 275 CA LEU A 18 -10.580 -6.655 2.988 1.00 0.67 C ATOM 276 C LEU A 18 -9.135 -6.221 3.207 1.00 0.63 C ATOM 277 O LEU A 18 -8.848 -5.416 4.092 1.00 0.66 O ATOM 278 CB LEU A 18 -11.439 -5.429 2.666 1.00 0.65 C ATOM 279 CG LEU A 18 -12.627 -5.681 1.735 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.802 -6.269 2.497 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.038 -4.397 1.027 1.00 0.66 C ATOM 0 H LEU A 18 -10.961 -6.843 5.038 1.00 0.75 H new ATOM 0 HA LEU A 18 -10.611 -7.351 2.150 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -11.815 -5.015 3.602 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -10.801 -4.669 2.215 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.315 -6.405 0.982 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.632 -6.438 1.811 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.506 -7.216 2.949 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.112 -5.576 3.279 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -13.884 -4.599 0.370 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -13.323 -3.649 1.767 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.201 -4.023 0.437 1.00 0.66 H new ATOM 293 N SER A 19 -8.236 -6.749 2.391 1.00 0.63 N ATOM 294 CA SER A 19 -6.826 -6.410 2.484 1.00 0.64 C ATOM 295 C SER A 19 -6.314 -5.948 1.129 1.00 0.61 C ATOM 296 O SER A 19 -6.649 -6.529 0.095 1.00 0.70 O ATOM 297 CB SER A 19 -6.006 -7.607 2.963 1.00 0.77 C ATOM 298 OG SER A 19 -6.513 -8.125 4.182 1.00 1.44 O ATOM 0 H SER A 19 -8.460 -7.417 1.654 1.00 0.63 H new ATOM 0 HA SER A 19 -6.716 -5.604 3.210 1.00 0.64 H new ATOM 0 HB2 SER A 19 -6.018 -8.387 2.201 1.00 0.77 H new ATOM 0 HB3 SER A 19 -4.966 -7.308 3.097 1.00 0.77 H new ATOM 0 HG SER A 19 -6.924 -7.401 4.699 1.00 1.44 H new ATOM 304 N VAL A 20 -5.516 -4.902 1.141 1.00 0.55 N ATOM 305 CA VAL A 20 -4.964 -4.360 -0.083 1.00 0.56 C ATOM 306 C VAL A 20 -3.480 -4.705 -0.202 1.00 0.67 C ATOM 307 O VAL A 20 -2.752 -4.721 0.793 1.00 0.73 O ATOM 308 CB VAL A 20 -5.163 -2.831 -0.148 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.255 -2.115 0.839 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.942 -2.317 -1.560 1.00 0.53 C ATOM 0 H VAL A 20 -5.234 -4.408 1.988 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.496 -4.811 -0.920 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.194 -2.617 0.134 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.418 -1.040 0.770 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.480 -2.452 1.851 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.214 -2.340 0.605 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.088 -1.237 -1.581 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.926 -2.552 -1.878 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.653 -2.792 -2.236 1.00 0.53 H new ATOM 320 N ILE A 21 -3.041 -5.011 -1.414 1.00 0.73 N ATOM 321 CA ILE A 21 -1.646 -5.342 -1.648 1.00 0.86 C ATOM 322 C ILE A 21 -0.840 -4.077 -1.905 1.00 0.87 C ATOM 323 O ILE A 21 -0.884 -3.511 -3.001 1.00 0.88 O ATOM 324 CB ILE A 21 -1.470 -6.307 -2.843 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.275 -7.587 -2.617 1.00 0.98 C ATOM 326 CG2 ILE A 21 0.006 -6.634 -3.047 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.128 -8.604 -3.730 1.00 1.10 C ATOM 0 H ILE A 21 -3.629 -5.037 -2.247 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.282 -5.842 -0.750 1.00 0.86 H new ATOM 0 HB ILE A 21 -1.844 -5.818 -3.743 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -1.961 -8.042 -1.678 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.329 -7.329 -2.510 1.00 0.98 H new ATOM 0 HG21 ILE A 21 0.115 -7.314 -3.892 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.558 -5.716 -3.248 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.402 -7.106 -2.148 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.727 -9.485 -3.500 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.470 -8.168 -4.669 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.081 -8.892 -3.824 1.00 1.10 H new ATOM 339 N VAL A 22 -0.139 -3.616 -0.881 1.00 0.89 N ATOM 340 CA VAL A 22 0.691 -2.433 -1.005 1.00 0.93 C ATOM 341 C VAL A 22 2.045 -2.839 -1.556 1.00 1.07 C ATOM 342 O VAL A 22 2.794 -3.563 -0.901 1.00 1.15 O ATOM 343 CB VAL A 22 0.889 -1.712 0.346 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.495 -0.333 0.127 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.425 -1.607 1.111 1.00 0.80 C ATOM 0 H VAL A 22 -0.130 -4.045 0.044 1.00 0.89 H new ATOM 0 HA VAL A 22 0.186 -1.739 -1.677 1.00 0.93 H new ATOM 0 HB VAL A 22 1.579 -2.304 0.948 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.628 0.163 1.089 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.462 -0.435 -0.366 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.829 0.262 -0.498 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.255 -1.095 2.058 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.147 -1.044 0.519 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -0.815 -2.607 1.304 1.00 0.80 H new ATOM 355 N THR A 23 2.347 -2.390 -2.762 1.00 1.12 N ATOM 356 CA THR A 23 3.604 -2.737 -3.397 1.00 1.26 C ATOM 357 C THR A 23 4.475 -1.511 -3.657 1.00 1.32 C ATOM 358 O THR A 23 4.076 -0.572 -4.348 1.00 1.28 O ATOM 359 CB THR A 23 3.382 -3.517 -4.717 1.00 1.33 C ATOM 360 OG1 THR A 23 4.443 -3.249 -5.647 1.00 1.89 O ATOM 361 CG2 THR A 23 2.045 -3.163 -5.355 1.00 1.63 C ATOM 0 H THR A 23 1.741 -1.787 -3.318 1.00 1.12 H new ATOM 0 HA THR A 23 4.131 -3.384 -2.696 1.00 1.26 H new ATOM 0 HB THR A 23 3.377 -4.579 -4.470 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.287 -3.751 -6.474 1.00 1.89 H new ATOM 0 HG21 THR A 23 1.922 -3.728 -6.279 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.237 -3.411 -4.667 1.00 1.63 H new ATOM 0 HG23 THR A 23 2.018 -2.096 -5.576 1.00 1.63 H new ATOM 369 N HIS A 24 5.660 -1.530 -3.075 1.00 1.45 N ATOM 370 CA HIS A 24 6.634 -0.466 -3.246 1.00 1.54 C ATOM 371 C HIS A 24 7.848 -1.056 -3.955 1.00 1.61 C ATOM 372 O HIS A 24 8.778 -1.546 -3.307 1.00 1.63 O ATOM 373 CB HIS A 24 6.998 0.147 -1.877 1.00 1.58 C ATOM 374 CG HIS A 24 8.320 0.868 -1.815 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.206 0.708 -0.772 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.906 1.744 -2.669 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.277 1.447 -0.986 1.00 1.88 C ATOM 378 NE2 HIS A 24 10.122 2.087 -2.130 1.00 1.86 N ATOM 0 H HIS A 24 5.976 -2.286 -2.468 1.00 1.45 H new ATOM 0 HA HIS A 24 6.228 0.344 -3.852 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.211 0.845 -1.591 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.004 -0.649 -1.133 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.056 0.110 0.041 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.493 2.105 -3.600 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.136 1.517 -0.335 1.00 1.88 H new ATOM 387 N SER A 25 7.796 -1.045 -5.287 1.00 1.68 N ATOM 388 CA SER A 25 8.855 -1.595 -6.137 1.00 1.77 C ATOM 389 C SER A 25 8.843 -3.130 -6.060 1.00 1.80 C ATOM 390 O SER A 25 8.678 -3.815 -7.068 1.00 1.90 O ATOM 391 CB SER A 25 10.226 -1.024 -5.749 1.00 1.78 C ATOM 392 OG SER A 25 10.179 0.391 -5.628 1.00 1.90 O ATOM 0 H SER A 25 7.014 -0.652 -5.811 1.00 1.68 H new ATOM 0 HA SER A 25 8.665 -1.301 -7.169 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.551 -1.462 -4.805 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.965 -1.303 -6.501 1.00 1.78 H new ATOM 0 HG SER A 25 11.065 0.728 -5.379 1.00 1.90 H new ATOM 398 N ASN A 26 9.008 -3.650 -4.854 1.00 1.77 N ATOM 399 CA ASN A 26 8.981 -5.085 -4.596 1.00 1.82 C ATOM 400 C ASN A 26 8.582 -5.321 -3.138 1.00 1.75 C ATOM 401 O ASN A 26 8.303 -6.445 -2.721 1.00 1.87 O ATOM 402 CB ASN A 26 10.343 -5.724 -4.888 1.00 1.95 C ATOM 403 CG ASN A 26 10.226 -7.183 -5.306 1.00 2.06 C ATOM 404 OD1 ASN A 26 9.304 -7.889 -4.902 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.163 -7.648 -6.118 1.00 2.32 N ATOM 0 H ASN A 26 9.166 -3.086 -4.019 1.00 1.77 H new ATOM 0 HA ASN A 26 8.251 -5.551 -5.257 1.00 1.82 H new ATOM 0 HB2 ASN A 26 10.842 -5.162 -5.678 1.00 1.95 H new ATOM 0 HB3 ASN A 26 10.972 -5.653 -4.000 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.134 -8.620 -6.427 1.00 2.32 H new ATOM 0 HD22 ASN A 26 11.914 -7.035 -6.434 1.00 2.32 H new ATOM 412 N GLU A 27 8.555 -4.232 -2.370 1.00 1.66 N ATOM 413 CA GLU A 27 8.182 -4.272 -0.964 1.00 1.60 C ATOM 414 C GLU A 27 6.676 -4.445 -0.843 1.00 1.47 C ATOM 415 O GLU A 27 5.910 -3.575 -1.254 1.00 1.48 O ATOM 416 CB GLU A 27 8.631 -2.974 -0.283 1.00 1.63 C ATOM 417 CG GLU A 27 8.173 -2.828 1.159 1.00 1.89 C ATOM 418 CD GLU A 27 8.683 -1.550 1.795 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.183 -0.461 1.427 1.00 2.24 O ATOM 420 OE2 GLU A 27 9.585 -1.623 2.655 1.00 2.14 O ATOM 0 H GLU A 27 8.792 -3.300 -2.709 1.00 1.66 H new ATOM 0 HA GLU A 27 8.671 -5.114 -0.474 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.719 -2.921 -0.312 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.255 -2.128 -0.858 1.00 1.63 H new ATOM 0 HG2 GLU A 27 7.084 -2.840 1.195 1.00 1.89 H new ATOM 0 HG3 GLU A 27 8.521 -3.684 1.737 1.00 1.89 H new ATOM 427 N ARG A 28 6.257 -5.569 -0.288 1.00 1.44 N ATOM 428 CA ARG A 28 4.841 -5.860 -0.149 1.00 1.33 C ATOM 429 C ARG A 28 4.370 -5.715 1.295 1.00 1.28 C ATOM 430 O ARG A 28 5.023 -6.185 2.227 1.00 1.36 O ATOM 431 CB ARG A 28 4.550 -7.277 -0.655 1.00 1.41 C ATOM 432 CG ARG A 28 3.086 -7.531 -1.003 1.00 1.45 C ATOM 433 CD ARG A 28 2.307 -8.073 0.186 1.00 1.48 C ATOM 434 NE ARG A 28 1.215 -8.950 -0.229 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.041 -8.850 0.210 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.407 -7.847 1.002 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.941 -9.740 -0.173 1.00 1.92 N ATOM 0 H ARG A 28 6.876 -6.294 0.073 1.00 1.44 H new ATOM 0 HA ARG A 28 4.292 -5.135 -0.749 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.160 -7.467 -1.538 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.860 -7.993 0.106 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.628 -6.603 -1.345 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.027 -8.239 -1.829 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.983 -8.621 0.843 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.904 -7.242 0.765 1.00 1.48 H new ATOM 0 HE ARG A 28 1.427 -9.689 -0.900 1.00 1.48 H new ATOM 0 HH11 ARG A 28 0.276 -7.142 1.281 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.370 -7.782 1.331 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -0.674 -10.498 -0.801 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -1.903 -9.668 0.160 1.00 1.92 H new ATOM 451 N TYR A 29 3.239 -5.044 1.460 1.00 1.17 N ATOM 452 CA TYR A 29 2.622 -4.850 2.764 1.00 1.13 C ATOM 453 C TYR A 29 1.142 -5.190 2.667 1.00 1.01 C ATOM 454 O TYR A 29 0.574 -5.188 1.572 1.00 1.00 O ATOM 455 CB TYR A 29 2.811 -3.411 3.249 1.00 1.13 C ATOM 456 CG TYR A 29 4.016 -3.227 4.145 1.00 1.30 C ATOM 457 CD1 TYR A 29 3.951 -3.538 5.497 1.00 1.52 C ATOM 458 CD2 TYR A 29 5.215 -2.739 3.640 1.00 1.60 C ATOM 459 CE1 TYR A 29 5.048 -3.372 6.320 1.00 1.82 C ATOM 460 CE2 TYR A 29 6.317 -2.572 4.458 1.00 1.88 C ATOM 461 CZ TYR A 29 6.227 -2.888 5.797 1.00 1.91 C ATOM 462 OH TYR A 29 7.322 -2.721 6.615 1.00 2.29 O ATOM 0 H TYR A 29 2.722 -4.618 0.691 1.00 1.17 H new ATOM 0 HA TYR A 29 3.101 -5.508 3.489 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.908 -2.755 2.384 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.917 -3.098 3.788 1.00 1.13 H new ATOM 0 HD1 TYR A 29 3.028 -3.916 5.912 1.00 1.52 H new ATOM 0 HD2 TYR A 29 5.287 -2.486 2.592 1.00 1.60 H new ATOM 0 HE1 TYR A 29 4.982 -3.621 7.369 1.00 1.82 H new ATOM 0 HE2 TYR A 29 7.244 -2.196 4.050 1.00 1.88 H new ATOM 0 HH TYR A 29 8.072 -2.373 6.090 1.00 2.29 H new ATOM 472 N ASP A 30 0.524 -5.497 3.792 1.00 0.98 N ATOM 473 CA ASP A 30 -0.888 -5.852 3.808 1.00 0.90 C ATOM 474 C ASP A 30 -1.660 -4.909 4.714 1.00 0.84 C ATOM 475 O ASP A 30 -1.464 -4.903 5.930 1.00 0.96 O ATOM 476 CB ASP A 30 -1.059 -7.296 4.283 1.00 0.97 C ATOM 477 CG ASP A 30 -2.335 -7.934 3.769 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.610 -7.832 2.554 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.049 -8.569 4.571 1.00 1.34 O ATOM 0 H ASP A 30 0.974 -5.509 4.707 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.283 -5.763 2.796 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.204 -7.886 3.953 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -1.060 -7.318 5.373 1.00 0.97 H new ATOM 484 N LEU A 31 -2.531 -4.108 4.121 1.00 0.71 N ATOM 485 CA LEU A 31 -3.313 -3.144 4.883 1.00 0.66 C ATOM 486 C LEU A 31 -4.804 -3.400 4.723 1.00 0.58 C ATOM 487 O LEU A 31 -5.253 -3.892 3.686 1.00 0.59 O ATOM 488 CB LEU A 31 -2.974 -1.720 4.432 1.00 0.66 C ATOM 489 CG LEU A 31 -2.477 -0.775 5.534 1.00 0.77 C ATOM 490 CD1 LEU A 31 -3.611 -0.403 6.478 1.00 0.95 C ATOM 491 CD2 LEU A 31 -1.327 -1.411 6.309 1.00 0.98 C ATOM 0 H LEU A 31 -2.715 -4.105 3.118 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.060 -3.258 5.937 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.211 -1.776 3.655 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.862 -1.282 3.976 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.112 0.136 5.060 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.236 0.267 7.251 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.402 0.096 5.918 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.009 -1.305 6.942 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -0.989 -0.725 7.086 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -1.667 -2.340 6.768 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.503 -1.623 5.628 1.00 0.98 H new ATOM 503 N LEU A 32 -5.557 -3.074 5.761 1.00 0.55 N ATOM 504 CA LEU A 32 -7.000 -3.248 5.752 1.00 0.52 C ATOM 505 C LEU A 32 -7.670 -2.032 5.121 1.00 0.43 C ATOM 506 O LEU A 32 -7.245 -0.899 5.343 1.00 0.43 O ATOM 507 CB LEU A 32 -7.513 -3.452 7.180 1.00 0.60 C ATOM 508 CG LEU A 32 -8.532 -4.580 7.363 1.00 0.73 C ATOM 509 CD1 LEU A 32 -8.622 -4.974 8.828 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.900 -4.160 6.843 1.00 0.85 C ATOM 0 H LEU A 32 -5.188 -2.684 6.628 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.246 -4.130 5.161 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -6.659 -3.649 7.829 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.964 -2.520 7.521 1.00 0.60 H new ATOM 0 HG LEU A 32 -8.197 -5.443 6.787 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -9.350 -5.777 8.945 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -7.646 -5.316 9.173 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -8.934 -4.112 9.418 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.609 -4.976 6.983 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -10.244 -3.283 7.391 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.828 -3.920 5.782 1.00 0.85 H new ATOM 522 N VAL A 33 -8.712 -2.283 4.339 1.00 0.41 N ATOM 523 CA VAL A 33 -9.457 -1.223 3.661 1.00 0.36 C ATOM 524 C VAL A 33 -10.134 -0.290 4.663 1.00 0.41 C ATOM 525 O VAL A 33 -10.671 -0.735 5.684 1.00 0.51 O ATOM 526 CB VAL A 33 -10.503 -1.825 2.695 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.534 -0.794 2.264 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.807 -2.412 1.484 1.00 0.56 C ATOM 0 H VAL A 33 -9.066 -3.222 4.155 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.744 -0.635 3.083 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.035 -2.614 3.226 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.251 -1.257 1.586 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.058 -0.414 3.141 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.034 0.030 1.755 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.549 -2.835 0.807 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.250 -1.629 0.969 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.120 -3.195 1.804 1.00 0.56 H new ATOM 538 N THR A 34 -10.112 0.998 4.348 1.00 0.39 N ATOM 539 CA THR A 34 -10.694 2.020 5.204 1.00 0.48 C ATOM 540 C THR A 34 -12.222 1.931 5.232 1.00 0.59 C ATOM 541 O THR A 34 -12.884 2.069 4.200 1.00 0.65 O ATOM 542 CB THR A 34 -10.280 3.424 4.726 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.986 3.370 4.107 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.254 4.411 5.887 1.00 0.64 C ATOM 0 H THR A 34 -9.691 1.362 3.493 1.00 0.39 H new ATOM 0 HA THR A 34 -10.317 1.847 6.212 1.00 0.48 H new ATOM 0 HB THR A 34 -11.017 3.766 3.999 1.00 0.51 H new ATOM 0 HG1 THR A 34 -9.073 3.013 3.198 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.959 5.395 5.522 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.246 4.473 6.334 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.539 4.072 6.636 1.00 0.64 H new ATOM 552 N PRO A 35 -12.796 1.688 6.425 1.00 0.73 N ATOM 553 CA PRO A 35 -14.243 1.586 6.613 1.00 0.89 C ATOM 554 C PRO A 35 -14.889 2.959 6.828 1.00 0.93 C ATOM 555 O PRO A 35 -14.428 3.954 6.270 1.00 0.93 O ATOM 556 CB PRO A 35 -14.340 0.734 7.875 1.00 1.07 C ATOM 557 CG PRO A 35 -13.150 1.129 8.682 1.00 1.07 C ATOM 558 CD PRO A 35 -12.067 1.486 7.692 1.00 0.82 C ATOM 0 HA PRO A 35 -14.761 1.167 5.750 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.267 0.927 8.414 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.324 -0.330 7.638 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.382 1.976 9.327 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -12.831 0.313 9.330 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.532 2.387 7.993 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.327 0.690 7.605 1.00 0.82 H new ATOM 566 N GLN A 36 -15.960 2.997 7.631 1.00 1.02 N ATOM 567 CA GLN A 36 -16.677 4.232 7.951 1.00 1.13 C ATOM 568 C GLN A 36 -17.490 4.733 6.761 1.00 1.16 C ATOM 569 O GLN A 36 -17.653 5.938 6.573 1.00 1.24 O ATOM 570 CB GLN A 36 -15.714 5.320 8.436 1.00 1.16 C ATOM 571 CG GLN A 36 -15.393 5.229 9.917 1.00 1.38 C ATOM 572 CD GLN A 36 -14.197 6.071 10.309 1.00 1.95 C ATOM 573 OE1 GLN A 36 -13.867 7.056 9.646 1.00 2.47 O ATOM 574 NE2 GLN A 36 -13.546 5.696 11.397 1.00 2.33 N ATOM 0 H GLN A 36 -16.353 2.168 8.077 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.371 4.001 8.759 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -14.787 5.253 7.867 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.148 6.298 8.226 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.261 5.549 10.493 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.201 4.189 10.180 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -13.853 4.874 11.917 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -12.737 6.229 11.716 1.00 2.33 H new ATOM 583 N GLN A 37 -18.017 3.807 5.968 1.00 1.15 N ATOM 584 CA GLN A 37 -18.822 4.177 4.811 1.00 1.23 C ATOM 585 C GLN A 37 -19.873 3.117 4.509 1.00 1.30 C ATOM 586 O GLN A 37 -20.963 3.139 5.079 1.00 1.64 O ATOM 587 CB GLN A 37 -17.943 4.419 3.584 1.00 1.16 C ATOM 588 CG GLN A 37 -17.767 5.892 3.243 1.00 1.33 C ATOM 589 CD GLN A 37 -19.086 6.615 3.051 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.644 6.639 1.956 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.588 7.217 4.114 1.00 1.82 N ATOM 0 H GLN A 37 -17.903 2.803 6.104 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.336 5.107 5.054 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.963 3.975 3.756 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.380 3.906 2.727 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.204 6.379 4.039 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -17.174 5.981 2.333 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.094 7.174 5.005 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.470 7.725 4.044 1.00 1.82 H new ATOM 600 N GLY A 38 -19.546 2.184 3.626 1.00 1.14 N ATOM 601 CA GLY A 38 -20.493 1.147 3.274 1.00 1.21 C ATOM 602 C GLY A 38 -19.875 -0.231 3.271 1.00 1.14 C ATOM 603 O GLY A 38 -20.393 -1.130 2.620 1.00 1.17 O ATOM 0 H GLY A 38 -18.646 2.127 3.149 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.325 1.166 3.978 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.906 1.358 2.287 1.00 1.21 H new ATOM 607 N ASN A 39 -18.765 -0.372 4.003 1.00 1.13 N ATOM 608 CA ASN A 39 -18.000 -1.629 4.142 1.00 1.11 C ATOM 609 C ASN A 39 -17.439 -2.165 2.812 1.00 0.97 C ATOM 610 O ASN A 39 -16.273 -2.542 2.749 1.00 0.89 O ATOM 611 CB ASN A 39 -18.797 -2.714 4.908 1.00 1.30 C ATOM 612 CG ASN A 39 -19.677 -3.607 4.042 1.00 1.40 C ATOM 613 OD1 ASN A 39 -19.191 -4.474 3.314 1.00 1.84 O ATOM 614 ND2 ASN A 39 -20.985 -3.424 4.136 1.00 1.70 N ATOM 0 H ASN A 39 -18.358 0.400 4.531 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.130 -1.371 4.746 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.092 -3.343 5.452 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.425 -2.223 5.651 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -21.622 -4.010 3.596 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.356 -2.697 4.748 1.00 1.70 H new ATOM 621 N SER A 40 -18.250 -2.201 1.763 1.00 1.02 N ATOM 622 CA SER A 40 -17.804 -2.688 0.467 1.00 0.95 C ATOM 623 C SER A 40 -17.250 -1.539 -0.372 1.00 0.87 C ATOM 624 O SER A 40 -16.418 -1.742 -1.256 1.00 0.82 O ATOM 625 CB SER A 40 -18.964 -3.367 -0.257 1.00 1.07 C ATOM 626 OG SER A 40 -19.784 -4.081 0.658 1.00 1.30 O ATOM 0 H SER A 40 -19.223 -1.897 1.786 1.00 1.02 H new ATOM 0 HA SER A 40 -17.007 -3.416 0.617 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.561 -2.619 -0.779 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.576 -4.049 -1.013 1.00 1.07 H new ATOM 0 HG SER A 40 -19.299 -4.210 1.500 1.00 1.30 H new ATOM 632 N GLU A 41 -17.729 -0.331 -0.089 1.00 0.92 N ATOM 633 CA GLU A 41 -17.276 0.859 -0.793 1.00 0.88 C ATOM 634 C GLU A 41 -16.351 1.668 0.110 1.00 0.81 C ATOM 635 O GLU A 41 -16.796 2.248 1.105 1.00 0.90 O ATOM 636 CB GLU A 41 -18.461 1.719 -1.244 1.00 1.02 C ATOM 637 CG GLU A 41 -19.310 1.070 -2.326 1.00 1.34 C ATOM 638 CD GLU A 41 -19.911 2.081 -3.280 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.688 2.946 -2.825 1.00 1.73 O ATOM 640 OE2 GLU A 41 -19.614 2.015 -4.491 1.00 1.83 O ATOM 0 H GLU A 41 -18.434 -0.153 0.627 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.731 0.547 -1.684 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.091 1.935 -0.381 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.086 2.674 -1.612 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.698 0.365 -2.888 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -20.110 0.496 -1.859 1.00 1.34 H new ATOM 647 N PRO A 42 -15.051 1.680 -0.203 1.00 0.69 N ATOM 648 CA PRO A 42 -14.051 2.413 0.578 1.00 0.67 C ATOM 649 C PRO A 42 -14.212 3.926 0.451 1.00 0.69 C ATOM 650 O PRO A 42 -14.729 4.423 -0.553 1.00 0.77 O ATOM 651 CB PRO A 42 -12.714 1.970 -0.028 1.00 0.60 C ATOM 652 CG PRO A 42 -13.026 0.783 -0.880 1.00 0.62 C ATOM 653 CD PRO A 42 -14.440 0.967 -1.336 1.00 0.64 C ATOM 0 HA PRO A 42 -14.140 2.200 1.643 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.269 2.770 -0.620 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -11.997 1.714 0.752 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.346 0.722 -1.730 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.915 -0.143 -0.316 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.497 1.546 -2.258 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.932 0.013 -1.528 1.00 0.64 H new ATOM 661 N VAL A 43 -13.763 4.655 1.473 1.00 0.67 N ATOM 662 CA VAL A 43 -13.855 6.113 1.484 1.00 0.72 C ATOM 663 C VAL A 43 -12.945 6.729 0.423 1.00 0.65 C ATOM 664 O VAL A 43 -12.056 6.068 -0.110 1.00 0.58 O ATOM 665 CB VAL A 43 -13.497 6.706 2.869 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.390 6.126 3.952 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.034 6.462 3.206 1.00 0.67 C ATOM 0 H VAL A 43 -13.331 4.257 2.306 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.893 6.360 1.260 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.663 7.782 2.822 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.120 6.557 4.916 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.431 6.359 3.729 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.261 5.044 3.990 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.810 6.889 4.184 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.839 5.390 3.225 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.403 6.932 2.452 1.00 0.67 H new ATOM 677 N VAL A 44 -13.160 8.006 0.132 1.00 0.72 N ATOM 678 CA VAL A 44 -12.362 8.710 -0.869 1.00 0.71 C ATOM 679 C VAL A 44 -10.892 8.808 -0.456 1.00 0.66 C ATOM 680 O VAL A 44 -10.012 8.936 -1.302 1.00 0.68 O ATOM 681 CB VAL A 44 -12.913 10.125 -1.140 1.00 0.85 C ATOM 682 CG1 VAL A 44 -14.195 10.050 -1.951 1.00 1.06 C ATOM 683 CG2 VAL A 44 -13.145 10.876 0.162 1.00 0.98 C ATOM 0 H VAL A 44 -13.880 8.577 0.574 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.429 8.123 -1.785 1.00 0.71 H new ATOM 0 HB VAL A 44 -12.170 10.674 -1.718 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -14.570 11.057 -2.133 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.995 9.560 -2.904 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.942 9.479 -1.399 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.533 11.871 -0.056 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.865 10.331 0.773 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.203 10.965 0.704 1.00 0.98 H new ATOM 693 N GLN A 45 -10.640 8.716 0.844 1.00 0.66 N ATOM 694 CA GLN A 45 -9.284 8.797 1.375 1.00 0.65 C ATOM 695 C GLN A 45 -8.688 7.405 1.580 1.00 0.57 C ATOM 696 O GLN A 45 -7.589 7.273 2.107 1.00 0.62 O ATOM 697 CB GLN A 45 -9.290 9.534 2.716 1.00 0.74 C ATOM 698 CG GLN A 45 -9.724 10.985 2.625 1.00 1.07 C ATOM 699 CD GLN A 45 -10.554 11.418 3.817 1.00 1.44 C ATOM 700 OE1 GLN A 45 -11.292 10.621 4.398 1.00 1.88 O ATOM 701 NE2 GLN A 45 -10.440 12.680 4.187 1.00 1.94 N ATOM 0 H GLN A 45 -11.361 8.585 1.554 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.676 9.340 0.651 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.954 9.010 3.403 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.289 9.492 3.146 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.842 11.621 2.550 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.301 11.132 1.712 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -9.817 13.307 3.678 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -10.975 13.029 4.982 1.00 1.94 H new ATOM 710 N ASP A 46 -9.413 6.375 1.149 1.00 0.49 N ATOM 711 CA ASP A 46 -8.966 4.989 1.320 1.00 0.42 C ATOM 712 C ASP A 46 -7.644 4.717 0.618 1.00 0.41 C ATOM 713 O ASP A 46 -6.687 4.279 1.249 1.00 0.46 O ATOM 714 CB ASP A 46 -10.022 4.012 0.804 1.00 0.38 C ATOM 715 CG ASP A 46 -9.507 2.588 0.724 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.374 1.944 1.787 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.234 2.115 -0.406 1.00 0.31 O ATOM 0 H ASP A 46 -10.313 6.471 0.678 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.818 4.840 2.390 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.892 4.044 1.459 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.355 4.330 -0.184 1.00 0.38 H new ATOM 722 N LEU A 47 -7.592 4.992 -0.681 1.00 0.46 N ATOM 723 CA LEU A 47 -6.384 4.752 -1.472 1.00 0.54 C ATOM 724 C LEU A 47 -5.169 5.453 -0.860 1.00 0.56 C ATOM 725 O LEU A 47 -4.042 4.964 -0.955 1.00 0.65 O ATOM 726 CB LEU A 47 -6.586 5.213 -2.922 1.00 0.66 C ATOM 727 CG LEU A 47 -6.382 6.709 -3.178 1.00 0.88 C ATOM 728 CD1 LEU A 47 -6.102 6.961 -4.647 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.602 7.503 -2.736 1.00 1.00 C ATOM 0 H LEU A 47 -8.371 5.382 -1.211 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.194 3.679 -1.467 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.899 4.657 -3.560 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.596 4.945 -3.232 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.523 7.039 -2.593 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.959 8.029 -4.812 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -5.200 6.424 -4.943 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.945 6.611 -5.243 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.435 8.563 -2.927 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.476 7.167 -3.294 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.770 7.349 -1.670 1.00 1.00 H new ATOM 741 N ALA A 48 -5.416 6.587 -0.221 1.00 0.58 N ATOM 742 CA ALA A 48 -4.359 7.356 0.409 1.00 0.69 C ATOM 743 C ALA A 48 -4.008 6.758 1.766 1.00 0.67 C ATOM 744 O ALA A 48 -2.837 6.590 2.099 1.00 0.76 O ATOM 745 CB ALA A 48 -4.791 8.809 0.553 1.00 0.83 C ATOM 0 H ALA A 48 -6.346 6.995 -0.126 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.468 7.320 -0.218 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.993 9.381 1.027 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -5.000 9.226 -0.432 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.689 8.862 1.168 1.00 0.83 H new ATOM 751 N GLN A 49 -5.033 6.409 2.530 1.00 0.60 N ATOM 752 CA GLN A 49 -4.851 5.830 3.853 1.00 0.62 C ATOM 753 C GLN A 49 -4.121 4.493 3.768 1.00 0.59 C ATOM 754 O GLN A 49 -3.224 4.222 4.560 1.00 0.66 O ATOM 755 CB GLN A 49 -6.206 5.636 4.534 1.00 0.62 C ATOM 756 CG GLN A 49 -6.129 5.591 6.049 1.00 0.95 C ATOM 757 CD GLN A 49 -5.823 6.947 6.655 1.00 1.27 C ATOM 758 OE1 GLN A 49 -6.727 7.737 6.916 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.550 7.226 6.887 1.00 1.43 N ATOM 0 H GLN A 49 -6.008 6.518 2.253 1.00 0.60 H new ATOM 0 HA GLN A 49 -4.245 6.518 4.443 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.871 6.447 4.237 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.654 4.709 4.175 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.075 5.224 6.447 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.359 4.880 6.350 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -3.828 6.543 6.656 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -4.291 8.124 7.297 1.00 1.43 H new ATOM 768 N LEU A 50 -4.512 3.678 2.797 1.00 0.52 N ATOM 769 CA LEU A 50 -3.914 2.359 2.594 1.00 0.53 C ATOM 770 C LEU A 50 -2.402 2.433 2.427 1.00 0.65 C ATOM 771 O LEU A 50 -1.656 1.754 3.131 1.00 0.72 O ATOM 772 CB LEU A 50 -4.516 1.688 1.359 1.00 0.46 C ATOM 773 CG LEU A 50 -6.000 1.337 1.456 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.491 0.766 0.135 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.248 0.351 2.586 1.00 0.40 C ATOM 0 H LEU A 50 -5.248 3.908 2.130 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.132 1.772 3.486 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.372 2.347 0.503 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.957 0.774 1.155 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.557 2.249 1.673 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.550 0.520 0.216 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.350 1.503 -0.655 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.926 -0.135 -0.104 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.311 0.115 2.637 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.682 -0.562 2.403 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -5.929 0.792 3.530 1.00 0.40 H new ATOM 787 N VAL A 51 -1.954 3.263 1.499 1.00 0.70 N ATOM 788 CA VAL A 51 -0.532 3.400 1.231 1.00 0.84 C ATOM 789 C VAL A 51 0.190 4.102 2.386 1.00 0.90 C ATOM 790 O VAL A 51 1.347 3.795 2.685 1.00 1.01 O ATOM 791 CB VAL A 51 -0.288 4.141 -0.107 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.500 5.642 0.026 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.100 3.842 -0.641 1.00 1.37 C ATOM 0 H VAL A 51 -2.553 3.851 0.920 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.116 2.397 1.143 1.00 0.84 H new ATOM 0 HB VAL A 51 -1.024 3.771 -0.821 1.00 0.90 H new ATOM 0 HG11 VAL A 51 -0.318 6.122 -0.936 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.525 5.838 0.342 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.191 6.043 0.768 1.00 1.56 H new ATOM 0 HG21 VAL A 51 1.250 4.373 -1.581 1.00 1.37 H new ATOM 0 HG22 VAL A 51 1.847 4.168 0.083 1.00 1.37 H new ATOM 0 HG23 VAL A 51 1.202 2.770 -0.809 1.00 1.37 H new ATOM 803 N GLU A 52 -0.502 5.020 3.049 1.00 0.86 N ATOM 804 CA GLU A 52 0.077 5.752 4.165 1.00 0.93 C ATOM 805 C GLU A 52 0.270 4.838 5.369 1.00 0.95 C ATOM 806 O GLU A 52 1.375 4.718 5.902 1.00 1.07 O ATOM 807 CB GLU A 52 -0.816 6.933 4.549 1.00 0.91 C ATOM 808 CG GLU A 52 -0.203 7.833 5.609 1.00 1.13 C ATOM 809 CD GLU A 52 -1.177 8.856 6.144 1.00 1.17 C ATOM 810 OE1 GLU A 52 -1.266 9.959 5.571 1.00 1.40 O ATOM 811 OE2 GLU A 52 -1.854 8.564 7.153 1.00 1.37 O ATOM 0 H GLU A 52 -1.466 5.274 2.832 1.00 0.86 H new ATOM 0 HA GLU A 52 1.051 6.129 3.853 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -1.027 7.525 3.658 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.771 6.554 4.913 1.00 0.91 H new ATOM 0 HG2 GLU A 52 0.162 7.220 6.433 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.661 8.347 5.187 1.00 1.13 H new ATOM 818 N GLU A 53 -0.803 4.165 5.764 1.00 0.86 N ATOM 819 CA GLU A 53 -0.784 3.267 6.913 1.00 0.89 C ATOM 820 C GLU A 53 0.082 2.037 6.663 1.00 0.93 C ATOM 821 O GLU A 53 0.386 1.290 7.593 1.00 1.01 O ATOM 822 CB GLU A 53 -2.206 2.834 7.260 1.00 0.85 C ATOM 823 CG GLU A 53 -3.044 3.934 7.886 1.00 1.33 C ATOM 824 CD GLU A 53 -2.575 4.284 9.279 1.00 1.45 C ATOM 825 OE1 GLU A 53 -2.108 3.374 9.996 1.00 1.81 O ATOM 826 OE2 GLU A 53 -2.674 5.464 9.670 1.00 1.99 O ATOM 0 H GLU A 53 -1.709 4.225 5.299 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.349 3.815 7.749 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.701 2.484 6.354 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.161 1.988 7.946 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -3.003 4.823 7.256 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -4.086 3.618 7.924 1.00 1.33 H new ATOM 833 N ALA A 54 0.484 1.837 5.413 1.00 0.93 N ATOM 834 CA ALA A 54 1.307 0.695 5.042 1.00 1.00 C ATOM 835 C ALA A 54 2.657 0.717 5.750 1.00 1.15 C ATOM 836 O ALA A 54 3.256 -0.330 5.984 1.00 1.28 O ATOM 837 CB ALA A 54 1.504 0.665 3.537 1.00 1.06 C ATOM 0 H ALA A 54 0.251 2.456 4.636 1.00 0.93 H new ATOM 0 HA ALA A 54 0.785 -0.209 5.358 1.00 1.00 H new ATOM 0 HB1 ALA A 54 2.121 -0.192 3.268 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.535 0.584 3.045 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.998 1.582 3.216 1.00 1.06 H new ATOM 843 N THR A 55 3.148 1.910 6.073 1.00 1.21 N ATOM 844 CA THR A 55 4.435 2.035 6.755 1.00 1.38 C ATOM 845 C THR A 55 4.550 3.346 7.522 1.00 1.40 C ATOM 846 O THR A 55 5.616 3.676 8.034 1.00 1.55 O ATOM 847 CB THR A 55 5.604 1.949 5.752 1.00 1.60 C ATOM 848 OG1 THR A 55 5.094 1.968 4.411 1.00 1.81 O ATOM 849 CG2 THR A 55 6.424 0.688 5.966 1.00 1.77 C ATOM 0 H THR A 55 2.681 2.796 5.877 1.00 1.21 H new ATOM 0 HA THR A 55 4.489 1.206 7.461 1.00 1.38 H new ATOM 0 HB THR A 55 6.253 2.810 5.914 1.00 1.60 H new ATOM 0 HG1 THR A 55 4.885 2.890 4.153 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.240 0.657 5.244 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.834 0.687 6.976 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.788 -0.187 5.832 1.00 1.77 H new ATOM 857 N GLY A 56 3.452 4.083 7.609 1.00 1.30 N ATOM 858 CA GLY A 56 3.472 5.358 8.296 1.00 1.34 C ATOM 859 C GLY A 56 4.252 6.386 7.508 1.00 1.42 C ATOM 860 O GLY A 56 5.156 7.033 8.037 1.00 1.55 O ATOM 0 H GLY A 56 2.548 3.821 7.216 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.451 5.709 8.448 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.918 5.236 9.283 1.00 1.34 H new ATOM 864 N VAL A 57 3.911 6.517 6.234 1.00 1.37 N ATOM 865 CA VAL A 57 4.584 7.456 5.349 1.00 1.46 C ATOM 866 C VAL A 57 3.592 8.479 4.808 1.00 1.37 C ATOM 867 O VAL A 57 2.559 8.103 4.257 1.00 1.26 O ATOM 868 CB VAL A 57 5.248 6.729 4.156 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.164 7.670 3.385 1.00 1.70 C ATOM 870 CG2 VAL A 57 6.010 5.500 4.623 1.00 1.63 C ATOM 0 H VAL A 57 3.167 5.981 5.788 1.00 1.37 H new ATOM 0 HA VAL A 57 5.356 7.957 5.933 1.00 1.46 H new ATOM 0 HB VAL A 57 4.456 6.401 3.483 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.618 7.134 2.552 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.584 8.510 3.003 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.946 8.040 4.048 1.00 1.70 H new ATOM 0 HG21 VAL A 57 6.467 5.007 3.765 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.787 5.799 5.326 1.00 1.63 H new ATOM 0 HG23 VAL A 57 5.323 4.811 5.114 1.00 1.63 H new ATOM 880 N PRO A 58 3.885 9.783 4.968 1.00 1.45 N ATOM 881 CA PRO A 58 3.013 10.860 4.484 1.00 1.41 C ATOM 882 C PRO A 58 2.664 10.713 3.002 1.00 1.35 C ATOM 883 O PRO A 58 3.482 10.253 2.200 1.00 1.39 O ATOM 884 CB PRO A 58 3.828 12.140 4.719 1.00 1.56 C ATOM 885 CG PRO A 58 5.205 11.689 5.078 1.00 1.67 C ATOM 886 CD PRO A 58 5.073 10.310 5.650 1.00 1.63 C ATOM 0 HA PRO A 58 2.055 10.856 5.003 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.842 12.764 3.825 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.392 12.739 5.519 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.851 11.683 4.200 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.657 12.366 5.802 1.00 1.67 H new ATOM 0 HD2 PRO A 58 5.956 9.703 5.449 1.00 1.63 H new ATOM 0 HD3 PRO A 58 4.941 10.333 6.732 1.00 1.63 H new ATOM 894 N LEU A 59 1.449 11.123 2.652 1.00 1.29 N ATOM 895 CA LEU A 59 0.949 11.032 1.278 1.00 1.26 C ATOM 896 C LEU A 59 1.875 11.683 0.238 1.00 1.34 C ATOM 897 O LEU A 59 2.223 11.040 -0.745 1.00 1.35 O ATOM 898 CB LEU A 59 -0.457 11.643 1.165 1.00 1.25 C ATOM 899 CG LEU A 59 -1.489 11.111 2.159 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.823 11.816 1.963 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.646 9.609 2.006 1.00 1.54 C ATOM 0 H LEU A 59 0.782 11.527 3.309 1.00 1.29 H new ATOM 0 HA LEU A 59 0.914 9.966 1.051 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.376 12.722 1.295 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.829 11.470 0.155 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.138 11.316 3.171 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.548 11.427 2.678 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.695 12.887 2.122 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -3.182 11.640 0.949 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.384 9.246 2.721 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.978 9.379 0.993 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.689 9.122 2.194 1.00 1.54 H new ATOM 913 N PRO A 60 2.315 12.949 0.431 1.00 1.42 N ATOM 914 CA PRO A 60 3.169 13.638 -0.550 1.00 1.52 C ATOM 915 C PRO A 60 4.551 13.006 -0.721 1.00 1.60 C ATOM 916 O PRO A 60 5.308 13.401 -1.606 1.00 1.79 O ATOM 917 CB PRO A 60 3.314 15.056 0.017 1.00 1.61 C ATOM 918 CG PRO A 60 2.220 15.185 1.019 1.00 1.56 C ATOM 919 CD PRO A 60 2.036 13.814 1.589 1.00 1.46 C ATOM 0 HA PRO A 60 2.720 13.592 -1.542 1.00 1.52 H new ATOM 0 HB2 PRO A 60 4.291 15.198 0.479 1.00 1.61 H new ATOM 0 HB3 PRO A 60 3.220 15.806 -0.768 1.00 1.61 H new ATOM 0 HG2 PRO A 60 2.483 15.901 1.797 1.00 1.56 H new ATOM 0 HG3 PRO A 60 1.302 15.543 0.553 1.00 1.56 H new ATOM 0 HD2 PRO A 60 2.722 13.622 2.414 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.027 13.666 1.973 1.00 1.46 H new ATOM 927 N PHE A 61 4.879 12.026 0.108 1.00 1.55 N ATOM 928 CA PHE A 61 6.179 11.378 0.027 1.00 1.63 C ATOM 929 C PHE A 61 6.147 10.170 -0.904 1.00 1.59 C ATOM 930 O PHE A 61 7.152 9.841 -1.534 1.00 1.70 O ATOM 931 CB PHE A 61 6.658 10.962 1.419 1.00 1.66 C ATOM 932 CG PHE A 61 7.557 11.976 2.070 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.045 13.166 2.563 1.00 1.95 C ATOM 934 CD2 PHE A 61 8.917 11.738 2.181 1.00 2.00 C ATOM 935 CE1 PHE A 61 7.873 14.096 3.159 1.00 2.23 C ATOM 936 CE2 PHE A 61 9.750 12.665 2.776 1.00 2.25 C ATOM 937 CZ PHE A 61 9.226 13.847 3.264 1.00 2.34 C ATOM 0 H PHE A 61 4.267 11.664 0.840 1.00 1.55 H new ATOM 0 HA PHE A 61 6.882 12.100 -0.388 1.00 1.63 H new ATOM 0 HB2 PHE A 61 5.791 10.793 2.058 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.188 10.013 1.344 1.00 1.66 H new ATOM 0 HD1 PHE A 61 5.987 13.368 2.480 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.331 10.817 1.798 1.00 2.00 H new ATOM 0 HE1 PHE A 61 7.462 15.018 3.543 1.00 2.23 H new ATOM 0 HE2 PHE A 61 10.808 12.467 2.860 1.00 2.25 H new ATOM 0 HZ PHE A 61 9.875 14.575 3.727 1.00 2.34 H new ATOM 947 N GLN A 62 4.995 9.524 -1.012 1.00 1.47 N ATOM 948 CA GLN A 62 4.875 8.352 -1.869 1.00 1.44 C ATOM 949 C GLN A 62 3.810 8.555 -2.944 1.00 1.40 C ATOM 950 O GLN A 62 2.654 8.850 -2.651 1.00 1.55 O ATOM 951 CB GLN A 62 4.585 7.099 -1.037 1.00 1.38 C ATOM 952 CG GLN A 62 3.441 7.251 -0.049 1.00 1.35 C ATOM 953 CD GLN A 62 3.349 6.081 0.910 1.00 1.64 C ATOM 954 OE1 GLN A 62 3.805 4.974 0.613 1.00 2.14 O ATOM 955 NE2 GLN A 62 2.760 6.311 2.069 1.00 1.66 N ATOM 0 H GLN A 62 4.139 9.787 -0.524 1.00 1.47 H new ATOM 0 HA GLN A 62 5.829 8.210 -2.376 1.00 1.44 H new ATOM 0 HB2 GLN A 62 4.358 6.274 -1.712 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.487 6.824 -0.490 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.573 8.173 0.518 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.502 7.345 -0.595 1.00 1.35 H new ATOM 0 HE21 GLN A 62 2.395 7.240 2.280 1.00 1.66 H new ATOM 0 HE22 GLN A 62 2.670 5.560 2.753 1.00 1.66 H new ATOM 964 N LYS A 63 4.219 8.399 -4.197 1.00 1.42 N ATOM 965 CA LYS A 63 3.320 8.575 -5.329 1.00 1.38 C ATOM 966 C LYS A 63 2.466 7.328 -5.551 1.00 1.27 C ATOM 967 O LYS A 63 2.878 6.398 -6.246 1.00 1.31 O ATOM 968 CB LYS A 63 4.130 8.894 -6.589 1.00 1.51 C ATOM 969 CG LYS A 63 3.307 9.483 -7.723 1.00 1.64 C ATOM 970 CD LYS A 63 4.188 9.827 -8.918 1.00 1.73 C ATOM 971 CE LYS A 63 3.396 10.484 -10.041 1.00 1.94 C ATOM 972 NZ LYS A 63 2.638 11.675 -9.568 1.00 2.29 N ATOM 0 H LYS A 63 5.174 8.149 -4.455 1.00 1.42 H new ATOM 0 HA LYS A 63 2.650 9.407 -5.111 1.00 1.38 H new ATOM 0 HB2 LYS A 63 4.925 9.594 -6.330 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.611 7.981 -6.940 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.539 8.772 -8.026 1.00 1.64 H new ATOM 0 HG3 LYS A 63 2.793 10.379 -7.376 1.00 1.64 H new ATOM 0 HD2 LYS A 63 4.987 10.496 -8.599 1.00 1.73 H new ATOM 0 HD3 LYS A 63 4.662 8.920 -9.292 1.00 1.73 H new ATOM 0 HE2 LYS A 63 4.077 10.781 -10.839 1.00 1.94 H new ATOM 0 HE3 LYS A 63 2.703 9.759 -10.467 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 2.310 12.225 -10.387 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 1.818 11.365 -9.008 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 3.256 12.268 -8.978 1.00 2.29 H new ATOM 986 N LEU A 64 1.288 7.317 -4.940 1.00 1.16 N ATOM 987 CA LEU A 64 0.354 6.200 -5.061 1.00 1.06 C ATOM 988 C LEU A 64 -0.351 6.242 -6.416 1.00 1.05 C ATOM 989 O LEU A 64 -1.018 7.226 -6.749 1.00 1.06 O ATOM 990 CB LEU A 64 -0.672 6.259 -3.913 1.00 0.98 C ATOM 991 CG LEU A 64 -1.619 5.055 -3.764 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.850 5.214 -4.641 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.906 3.750 -4.080 1.00 1.06 C ATOM 0 H LEU A 64 0.952 8.077 -4.349 1.00 1.16 H new ATOM 0 HA LEU A 64 0.905 5.262 -4.994 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.127 6.380 -2.977 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.279 7.154 -4.046 1.00 0.98 H new ATOM 0 HG LEU A 64 -1.943 5.021 -2.724 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.501 4.349 -4.515 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.388 6.117 -4.353 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.546 5.290 -5.685 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.601 2.918 -3.966 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.537 3.776 -5.105 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.068 3.618 -3.396 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.191 5.177 -7.193 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.812 5.084 -8.509 1.00 1.08 C ATOM 1007 C ILE A 65 -1.457 3.714 -8.704 1.00 1.05 C ATOM 1008 O ILE A 65 -0.788 2.756 -9.095 1.00 1.15 O ATOM 1009 CB ILE A 65 0.208 5.307 -9.653 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.048 6.563 -9.406 1.00 1.27 C ATOM 1011 CG2 ILE A 65 -0.510 5.410 -10.994 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.292 6.635 -10.264 1.00 1.42 C ATOM 0 H ILE A 65 0.366 4.363 -6.933 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.566 5.870 -8.550 1.00 1.08 H new ATOM 0 HB ILE A 65 0.879 4.448 -9.677 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.434 7.444 -9.595 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.338 6.596 -8.356 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.221 5.567 -11.787 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -1.060 4.488 -11.184 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -1.205 6.249 -10.971 1.00 1.42 H new ATOM 0 HD11 ILE A 65 2.839 7.550 -10.036 1.00 1.42 H new ATOM 0 HD12 ILE A 65 2.926 5.773 -10.058 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.009 6.634 -11.317 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.749 3.621 -8.418 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.484 2.372 -8.580 1.00 0.91 C ATOM 1026 C PHE A 66 -4.971 2.609 -8.363 1.00 0.84 C ATOM 1027 O PHE A 66 -5.385 3.733 -8.069 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.977 1.290 -7.624 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.618 -0.003 -8.316 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.319 -0.428 -9.437 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.583 -0.791 -7.848 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.989 -1.610 -10.070 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -1.250 -1.976 -8.478 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.955 -2.385 -9.592 1.00 1.16 C ATOM 0 H PHE A 66 -3.312 4.398 -8.072 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.319 2.018 -9.598 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -2.101 1.665 -7.095 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.742 1.091 -6.874 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -4.132 0.173 -9.818 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -1.026 -0.476 -6.978 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.542 -1.928 -10.941 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.439 -2.581 -8.099 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.697 -3.309 -10.087 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.770 1.548 -8.521 1.00 0.87 N ATOM 1045 CA LYS A 67 -7.227 1.617 -8.362 1.00 0.89 C ATOM 1046 C LYS A 67 -7.840 2.542 -9.414 1.00 0.84 C ATOM 1047 O LYS A 67 -9.025 2.877 -9.348 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.613 2.102 -6.954 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.301 1.113 -5.840 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.878 1.582 -4.510 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.698 0.543 -3.411 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.848 0.528 -2.462 1.00 0.54 N ATOM 0 H LYS A 67 -5.426 0.619 -8.762 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.621 0.610 -8.499 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -7.091 3.037 -6.750 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.680 2.322 -6.939 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.711 0.135 -6.093 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.222 0.992 -5.749 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.393 2.512 -4.212 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.939 1.800 -4.632 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.586 -0.444 -3.860 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.779 0.750 -2.863 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.968 -0.431 -2.078 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.664 1.193 -1.683 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.715 0.812 -2.962 1.00 0.54 H new ATOM 1066 N GLY A 68 -7.030 2.930 -10.393 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.486 3.829 -11.431 1.00 0.93 C ATOM 1068 C GLY A 68 -7.532 5.264 -10.944 1.00 0.94 C ATOM 1069 O GLY A 68 -8.229 6.102 -11.513 1.00 1.05 O ATOM 0 H GLY A 68 -6.058 2.634 -10.484 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.822 3.757 -12.293 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.478 3.526 -11.766 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.788 5.546 -9.878 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.752 6.881 -9.291 1.00 0.93 C ATOM 1075 C LYS A 69 -5.325 7.276 -8.927 1.00 0.96 C ATOM 1076 O LYS A 69 -4.373 6.558 -9.236 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.629 6.932 -8.032 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.552 5.733 -7.872 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.938 5.508 -6.419 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.857 6.603 -5.911 1.00 1.24 C ATOM 1081 NZ LYS A 69 -11.161 6.595 -6.618 1.00 1.50 N ATOM 0 H LYS A 69 -6.199 4.863 -9.401 1.00 0.89 H new ATOM 0 HA LYS A 69 -7.135 7.583 -10.031 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.985 7.001 -7.155 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -8.231 7.840 -8.058 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.452 5.885 -8.468 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -8.060 4.841 -8.260 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.432 4.542 -6.318 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.039 5.472 -5.804 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.022 6.473 -4.841 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.377 7.572 -6.044 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.826 7.225 -6.126 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -11.028 6.926 -7.595 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.544 5.628 -6.629 1.00 1.50 H new ATOM 1095 N SER A 70 -5.196 8.420 -8.266 1.00 0.95 N ATOM 1096 CA SER A 70 -3.905 8.929 -7.840 1.00 1.00 C ATOM 1097 C SER A 70 -3.996 9.389 -6.388 1.00 0.93 C ATOM 1098 O SER A 70 -5.094 9.626 -5.884 1.00 0.89 O ATOM 1099 CB SER A 70 -3.474 10.090 -8.744 1.00 1.17 C ATOM 1100 OG SER A 70 -2.158 10.524 -8.442 1.00 1.46 O ATOM 0 H SER A 70 -5.983 9.017 -8.012 1.00 0.95 H new ATOM 0 HA SER A 70 -3.159 8.138 -7.917 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.525 9.778 -9.787 1.00 1.17 H new ATOM 0 HB3 SER A 70 -4.169 10.922 -8.626 1.00 1.17 H new ATOM 0 HG SER A 70 -1.913 11.263 -9.037 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.849 9.500 -5.726 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.794 9.928 -4.330 1.00 0.99 C ATOM 1108 C LEU A 71 -3.455 11.293 -4.137 1.00 1.00 C ATOM 1109 O LEU A 71 -3.047 12.290 -4.741 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.344 9.969 -3.822 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.429 11.005 -4.483 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.655 11.453 -3.518 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.191 10.444 -5.754 1.00 1.28 C ATOM 0 H LEU A 71 -1.937 9.298 -6.137 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.349 9.194 -3.746 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -1.361 10.161 -2.749 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.903 8.982 -3.962 1.00 1.11 H new ATOM 0 HG LEU A 71 -1.034 11.871 -4.750 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.295 12.189 -4.005 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.195 11.899 -2.636 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.254 10.593 -3.219 1.00 1.35 H new ATOM 0 HD21 LEU A 71 0.837 11.196 -6.207 1.00 1.28 H new ATOM 0 HD22 LEU A 71 0.779 9.559 -5.512 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.598 10.174 -6.455 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.483 11.315 -3.297 1.00 0.95 N ATOM 1126 CA LYS A 72 -5.224 12.530 -2.992 1.00 0.99 C ATOM 1127 C LYS A 72 -6.268 12.225 -1.928 1.00 0.95 C ATOM 1128 O LYS A 72 -6.661 11.071 -1.760 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.907 13.072 -4.253 1.00 1.02 C ATOM 1130 CG LYS A 72 -6.360 14.520 -4.134 1.00 1.22 C ATOM 1131 CD LYS A 72 -6.733 15.099 -5.489 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.502 15.368 -6.338 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.823 15.369 -7.785 1.00 1.90 N ATOM 0 H LYS A 72 -4.826 10.488 -2.808 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.533 13.287 -2.622 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.218 12.985 -5.093 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.771 12.449 -4.483 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -7.217 14.581 -3.463 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -5.564 15.116 -3.689 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -7.393 14.407 -6.012 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -7.289 16.026 -5.349 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -5.072 16.330 -6.060 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.746 14.610 -6.134 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -5.095 15.903 -8.302 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -5.849 14.390 -8.136 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -6.751 15.815 -7.934 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.700 13.249 -1.201 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.708 13.076 -0.164 1.00 1.01 C ATOM 1149 C GLU A 73 -9.062 12.776 -0.800 1.00 0.98 C ATOM 1150 O GLU A 73 -9.842 11.980 -0.286 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.800 14.328 0.713 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.447 14.854 1.175 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.932 15.978 0.298 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.701 15.744 -0.907 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -5.758 17.102 0.813 1.00 1.98 O ATOM 0 H GLU A 73 -6.368 14.207 -1.311 1.00 1.00 H new ATOM 0 HA GLU A 73 -7.418 12.236 0.467 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -8.314 15.112 0.158 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -8.410 14.104 1.588 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.530 15.208 2.203 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.724 14.038 1.176 1.00 1.33 H new ATOM 1162 N MET A 74 -9.331 13.425 -1.922 1.00 1.01 N ATOM 1163 CA MET A 74 -10.575 13.218 -2.640 1.00 1.03 C ATOM 1164 C MET A 74 -10.318 13.252 -4.142 1.00 1.05 C ATOM 1165 O MET A 74 -10.132 14.317 -4.730 1.00 1.16 O ATOM 1166 CB MET A 74 -11.631 14.262 -2.243 1.00 1.15 C ATOM 1167 CG MET A 74 -11.115 15.693 -2.201 1.00 1.26 C ATOM 1168 SD MET A 74 -12.442 16.896 -1.990 1.00 1.65 S ATOM 1169 CE MET A 74 -11.502 18.409 -1.819 1.00 1.77 C ATOM 0 H MET A 74 -8.701 14.101 -2.355 1.00 1.01 H new ATOM 0 HA MET A 74 -10.968 12.238 -2.370 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.460 14.208 -2.948 1.00 1.15 H new ATOM 0 HB3 MET A 74 -12.029 14.003 -1.262 1.00 1.15 H new ATOM 0 HG2 MET A 74 -10.402 15.795 -1.383 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.575 15.909 -3.123 1.00 1.26 H new ATOM 0 HE1 MET A 74 -12.184 19.248 -1.681 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.842 18.332 -0.955 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.906 18.571 -2.717 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.262 12.074 -4.746 1.00 1.07 N ATOM 1180 CA GLU A 75 -10.029 11.960 -6.176 1.00 1.14 C ATOM 1181 C GLU A 75 -11.299 11.456 -6.869 1.00 1.13 C ATOM 1182 O GLU A 75 -12.312 12.153 -6.895 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.837 11.028 -6.443 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.269 11.135 -7.853 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.876 12.551 -8.221 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.770 13.350 -8.567 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.671 12.868 -8.187 1.00 1.89 O ATOM 0 H GLU A 75 -10.375 11.182 -4.265 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.785 12.940 -6.585 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -8.047 11.252 -5.726 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -9.147 9.998 -6.265 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.397 10.487 -7.939 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.008 10.771 -8.566 1.00 1.28 H new ATOM 1194 N THR A 76 -11.253 10.249 -7.414 1.00 1.06 N ATOM 1195 CA THR A 76 -12.410 9.678 -8.082 1.00 1.09 C ATOM 1196 C THR A 76 -13.384 9.092 -7.050 1.00 1.04 C ATOM 1197 O THR A 76 -12.963 8.721 -5.950 1.00 0.98 O ATOM 1198 CB THR A 76 -11.978 8.595 -9.090 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.649 8.153 -8.785 1.00 1.07 O ATOM 1200 CG2 THR A 76 -12.015 9.127 -10.513 1.00 1.29 C ATOM 0 H THR A 76 -10.428 9.649 -7.406 1.00 1.06 H new ATOM 0 HA THR A 76 -12.918 10.471 -8.631 1.00 1.09 H new ATOM 0 HB THR A 76 -12.675 7.761 -9.012 1.00 1.13 H new ATOM 0 HG1 THR A 76 -10.318 7.586 -9.512 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.706 8.342 -11.203 1.00 1.29 H new ATOM 0 HG22 THR A 76 -13.029 9.445 -10.756 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.337 9.976 -10.602 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.685 9.002 -7.404 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.762 8.489 -6.532 1.00 1.14 C ATOM 1210 C PRO A 77 -15.420 7.213 -5.751 1.00 1.01 C ATOM 1211 O PRO A 77 -14.476 6.487 -6.079 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.915 8.201 -7.510 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.376 8.465 -8.880 1.00 1.36 C ATOM 1214 CD PRO A 77 -15.231 9.414 -8.700 1.00 1.24 C ATOM 0 HA PRO A 77 -15.982 9.219 -5.753 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -17.255 7.170 -7.418 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.773 8.840 -7.299 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.045 7.541 -9.354 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -17.142 8.897 -9.524 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.496 9.321 -9.499 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -15.561 10.453 -8.691 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.238 6.938 -4.735 1.00 1.03 N ATOM 1223 CA LEU A 78 -16.061 5.773 -3.868 1.00 0.97 C ATOM 1224 C LEU A 78 -16.234 4.475 -4.645 1.00 0.95 C ATOM 1225 O LEU A 78 -15.541 3.493 -4.394 1.00 0.87 O ATOM 1226 CB LEU A 78 -17.057 5.815 -2.706 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.831 6.931 -1.680 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -17.548 8.209 -2.097 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -17.298 6.483 -0.305 1.00 1.22 C ATOM 0 H LEU A 78 -17.042 7.516 -4.490 1.00 1.03 H new ATOM 0 HA LEU A 78 -15.045 5.806 -3.473 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -18.062 5.921 -3.116 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -17.023 4.857 -2.187 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.763 7.144 -1.636 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -17.371 8.985 -1.352 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -17.168 8.541 -3.063 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.618 8.017 -2.174 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -17.132 7.285 0.415 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -18.361 6.243 -0.342 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -16.737 5.600 -0.000 1.00 1.22 H new ATOM 1241 N SER A 79 -17.150 4.478 -5.603 1.00 1.07 N ATOM 1242 CA SER A 79 -17.391 3.299 -6.424 1.00 1.12 C ATOM 1243 C SER A 79 -16.178 3.019 -7.309 1.00 1.00 C ATOM 1244 O SER A 79 -16.040 1.940 -7.887 1.00 1.04 O ATOM 1245 CB SER A 79 -18.654 3.499 -7.261 1.00 1.31 C ATOM 1246 OG SER A 79 -19.770 3.734 -6.417 1.00 1.68 O ATOM 0 H SER A 79 -17.737 5.281 -5.831 1.00 1.07 H new ATOM 0 HA SER A 79 -17.543 2.433 -5.779 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.519 4.341 -7.940 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.834 2.618 -7.877 1.00 1.31 H new ATOM 0 HG SER A 79 -19.816 3.033 -5.733 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.290 4.003 -7.385 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.071 3.891 -8.162 1.00 0.88 C ATOM 1254 C ALA A 80 -12.877 3.751 -7.224 1.00 0.74 C ATOM 1255 O ALA A 80 -11.741 4.050 -7.588 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.904 5.100 -9.071 1.00 1.02 C ATOM 0 H ALA A 80 -15.399 4.898 -6.909 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.130 3.004 -8.792 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.984 4.998 -9.646 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.753 5.163 -9.752 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.856 6.006 -8.467 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.152 3.327 -5.993 1.00 0.66 N ATOM 1263 CA LEU A 81 -12.110 3.122 -4.994 1.00 0.55 C ATOM 1264 C LEU A 81 -11.681 1.660 -5.006 1.00 0.52 C ATOM 1265 O LEU A 81 -10.970 1.193 -4.114 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.613 3.495 -3.593 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.846 4.614 -2.876 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.344 4.366 -2.917 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.186 5.970 -3.476 1.00 0.75 C ATOM 0 H LEU A 81 -14.094 3.118 -5.663 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.263 3.763 -5.239 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.659 3.792 -3.672 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.581 2.602 -2.968 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.155 4.615 -1.831 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.827 5.175 -2.401 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.118 3.420 -2.426 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -10.010 4.325 -3.954 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.631 6.749 -2.953 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.915 5.979 -4.532 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.255 6.155 -3.374 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.120 0.947 -6.032 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.802 -0.455 -6.161 1.00 0.62 C ATOM 1283 C GLY A 82 -12.920 -1.322 -5.635 1.00 0.63 C ATOM 1284 O GLY A 82 -12.930 -1.680 -4.459 1.00 0.64 O ATOM 0 H GLY A 82 -12.697 1.322 -6.785 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.616 -0.693 -7.208 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.883 -0.673 -5.617 1.00 0.62 H new ATOM 1288 N MET A 83 -13.871 -1.647 -6.505 1.00 0.84 N ATOM 1289 CA MET A 83 -15.013 -2.479 -6.130 1.00 1.01 C ATOM 1290 C MET A 83 -14.587 -3.939 -5.972 1.00 0.98 C ATOM 1291 O MET A 83 -14.945 -4.804 -6.770 1.00 1.26 O ATOM 1292 CB MET A 83 -16.142 -2.349 -7.166 1.00 1.34 C ATOM 1293 CG MET A 83 -15.697 -2.562 -8.608 1.00 1.54 C ATOM 1294 SD MET A 83 -17.080 -2.578 -9.767 1.00 2.03 S ATOM 1295 CE MET A 83 -16.223 -2.838 -11.320 1.00 2.27 C ATOM 0 H MET A 83 -13.874 -1.346 -7.480 1.00 0.84 H new ATOM 0 HA MET A 83 -15.391 -2.129 -5.169 1.00 1.01 H new ATOM 0 HB2 MET A 83 -16.922 -3.072 -6.928 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.588 -1.358 -7.078 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.001 -1.772 -8.890 1.00 1.54 H new ATOM 0 HG3 MET A 83 -15.155 -3.505 -8.682 1.00 1.54 H new ATOM 0 HE1 MET A 83 -16.947 -2.871 -12.134 1.00 2.27 H new ATOM 0 HE2 MET A 83 -15.523 -2.020 -11.490 1.00 2.27 H new ATOM 0 HE3 MET A 83 -15.678 -3.781 -11.281 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.790 -4.193 -4.947 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.294 -5.528 -4.655 1.00 0.89 C ATOM 1307 C GLN A 84 -12.872 -5.602 -3.199 1.00 0.84 C ATOM 1308 O GLN A 84 -13.033 -4.635 -2.455 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.122 -5.902 -5.568 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.195 -4.747 -5.903 1.00 0.99 C ATOM 1311 CD GLN A 84 -11.200 -4.402 -7.382 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -10.189 -3.973 -7.934 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -12.337 -4.569 -8.033 1.00 1.38 N ATOM 0 H GLN A 84 -13.468 -3.479 -4.293 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.096 -6.243 -4.841 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -11.542 -6.691 -5.089 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.517 -6.316 -6.496 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.492 -3.870 -5.328 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.180 -5.000 -5.597 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -13.157 -4.927 -7.544 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -12.395 -4.340 -9.025 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.304 -6.730 -2.804 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.880 -6.932 -1.423 1.00 0.78 C ATOM 1324 C ASN A 85 -10.542 -6.262 -1.106 1.00 0.72 C ATOM 1325 O ASN A 85 -9.669 -6.870 -0.485 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.792 -8.425 -1.107 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.969 -9.197 -2.117 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.492 -9.665 -3.123 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.682 -9.336 -1.857 1.00 1.09 N ATOM 0 H ASN A 85 -12.124 -7.523 -3.420 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.636 -6.460 -0.795 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.357 -8.556 -0.116 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.798 -8.843 -1.071 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.083 -9.848 -2.505 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.286 -8.931 -1.009 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.387 -5.010 -1.511 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.158 -4.295 -1.228 1.00 0.57 C ATOM 1338 C GLY A 86 -8.422 -3.836 -2.465 1.00 0.51 C ATOM 1339 O GLY A 86 -8.043 -2.666 -2.557 1.00 0.49 O ATOM 0 H GLY A 86 -11.087 -4.478 -2.028 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.387 -3.427 -0.610 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.501 -4.938 -0.643 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.229 -4.754 -3.411 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.513 -4.469 -4.656 1.00 0.62 C ATOM 1345 C CYS A 87 -6.013 -4.352 -4.375 1.00 0.65 C ATOM 1346 O CYS A 87 -5.490 -5.029 -3.487 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.047 -3.192 -5.326 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.587 -3.009 -7.065 1.00 0.79 S ATOM 0 H CYS A 87 -8.563 -5.715 -3.337 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.680 -5.294 -5.349 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.134 -3.183 -5.248 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.681 -2.327 -4.773 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.573 -3.397 -7.818 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.319 -3.502 -5.121 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.882 -3.320 -4.941 1.00 0.77 C ATOM 1356 C ARG A 88 -3.521 -1.842 -4.991 1.00 0.75 C ATOM 1357 O ARG A 88 -4.236 -1.046 -5.598 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.099 -4.071 -6.023 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.392 -5.565 -6.079 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.396 -5.896 -7.175 1.00 1.11 C ATOM 1361 NE ARG A 88 -3.822 -5.744 -8.514 1.00 1.27 N ATOM 1362 CZ ARG A 88 -4.414 -5.088 -9.517 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -5.595 -4.505 -9.344 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -3.816 -5.014 -10.699 1.00 1.74 N ATOM 0 H ARG A 88 -5.727 -2.927 -5.858 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.614 -3.723 -3.964 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.327 -3.630 -6.993 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.032 -3.927 -5.850 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.466 -6.112 -6.255 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.780 -5.897 -5.116 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.748 -6.920 -7.046 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.265 -5.246 -7.078 1.00 1.11 H new ATOM 0 HE ARG A 88 -2.911 -6.166 -8.693 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.061 -4.555 -8.438 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -6.036 -4.007 -10.117 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -2.908 -5.457 -10.840 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -4.264 -4.514 -11.467 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.421 -1.488 -4.338 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.938 -0.113 -4.316 1.00 0.79 C ATOM 1380 C VAL A 89 -0.420 -0.092 -4.450 1.00 0.92 C ATOM 1381 O VAL A 89 0.297 -0.663 -3.628 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.350 0.645 -3.027 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.781 1.154 -3.130 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.186 -0.228 -1.793 1.00 0.69 C ATOM 0 H VAL A 89 -1.841 -2.142 -3.812 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.401 0.398 -5.160 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.684 1.502 -2.925 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.046 1.682 -2.214 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.865 1.834 -3.978 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.458 0.311 -3.272 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.483 0.334 -0.908 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.814 -1.114 -1.888 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.143 -0.531 -1.697 1.00 0.69 H new ATOM 1394 N MET A 90 0.069 0.547 -5.500 1.00 0.97 N ATOM 1395 CA MET A 90 1.500 0.632 -5.738 1.00 1.10 C ATOM 1396 C MET A 90 1.941 2.085 -5.700 1.00 1.14 C ATOM 1397 O MET A 90 1.243 2.967 -6.202 1.00 1.13 O ATOM 1398 CB MET A 90 1.876 -0.006 -7.084 1.00 1.21 C ATOM 1399 CG MET A 90 1.550 0.854 -8.298 1.00 1.49 C ATOM 1400 SD MET A 90 2.016 0.075 -9.855 1.00 1.66 S ATOM 1401 CE MET A 90 1.589 1.373 -11.012 1.00 2.09 C ATOM 0 H MET A 90 -0.505 1.015 -6.202 1.00 0.97 H new ATOM 0 HA MET A 90 2.014 0.080 -4.952 1.00 1.10 H new ATOM 0 HB2 MET A 90 2.944 -0.224 -7.084 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.356 -0.959 -7.179 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.481 1.067 -8.310 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.064 1.811 -8.208 1.00 1.49 H new ATOM 0 HE1 MET A 90 1.851 1.060 -12.023 1.00 2.09 H new ATOM 0 HE2 MET A 90 0.518 1.570 -10.959 1.00 2.09 H new ATOM 0 HE3 MET A 90 2.138 2.280 -10.759 1.00 2.09 H new ATOM 1411 N LEU A 91 3.088 2.336 -5.100 1.00 1.21 N ATOM 1412 CA LEU A 91 3.595 3.690 -5.003 1.00 1.27 C ATOM 1413 C LEU A 91 5.029 3.776 -5.494 1.00 1.41 C ATOM 1414 O LEU A 91 5.822 2.848 -5.320 1.00 1.47 O ATOM 1415 CB LEU A 91 3.445 4.267 -3.568 1.00 1.22 C ATOM 1416 CG LEU A 91 4.219 3.602 -2.398 1.00 1.27 C ATOM 1417 CD1 LEU A 91 3.974 2.104 -2.322 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.710 3.902 -2.464 1.00 1.42 C ATOM 0 H LEU A 91 3.683 1.625 -4.675 1.00 1.21 H new ATOM 0 HA LEU A 91 2.984 4.312 -5.657 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.742 5.315 -3.604 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.385 4.244 -3.315 1.00 1.22 H new ATOM 0 HG LEU A 91 3.827 4.044 -1.482 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.537 1.685 -1.488 1.00 1.25 H new ATOM 0 HD12 LEU A 91 2.911 1.916 -2.173 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.298 1.635 -3.251 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.216 3.419 -1.628 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.116 3.523 -3.402 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.867 4.979 -2.409 1.00 1.42 H new ATOM 1430 N ILE A 92 5.339 4.886 -6.141 1.00 1.50 N ATOM 1431 CA ILE A 92 6.671 5.128 -6.663 1.00 1.65 C ATOM 1432 C ILE A 92 7.237 6.395 -6.040 1.00 1.71 C ATOM 1433 O ILE A 92 7.063 7.496 -6.567 1.00 1.89 O ATOM 1434 CB ILE A 92 6.664 5.259 -8.202 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.835 4.131 -8.829 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.088 5.234 -8.742 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.603 4.290 -10.313 1.00 1.79 C ATOM 0 H ILE A 92 4.677 5.641 -6.318 1.00 1.50 H new ATOM 0 HA ILE A 92 7.297 4.274 -6.405 1.00 1.65 H new ATOM 0 HB ILE A 92 6.209 6.213 -8.468 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.339 3.181 -8.650 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.870 4.080 -8.324 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.067 5.327 -9.828 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.653 6.064 -8.317 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.565 4.293 -8.468 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.009 3.453 -10.680 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.070 5.222 -10.500 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.562 4.310 -10.831 1.00 1.79 H new ATOM 1449 N GLY A 93 7.879 6.241 -4.894 1.00 1.73 N ATOM 1450 CA GLY A 93 8.450 7.379 -4.210 1.00 1.80 C ATOM 1451 C GLY A 93 9.169 6.987 -2.937 1.00 1.84 C ATOM 1452 O GLY A 93 9.807 5.933 -2.874 1.00 1.89 O ATOM 0 H GLY A 93 8.015 5.346 -4.425 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.147 7.887 -4.876 1.00 1.80 H new ATOM 0 HA3 GLY A 93 7.659 8.091 -3.973 1.00 1.80 H new ATOM 1456 N GLU A 94 9.038 7.826 -1.922 1.00 1.88 N ATOM 1457 CA GLU A 94 9.681 7.601 -0.638 1.00 1.97 C ATOM 1458 C GLU A 94 8.897 6.598 0.210 1.00 1.80 C ATOM 1459 O GLU A 94 7.737 6.293 -0.068 1.00 1.84 O ATOM 1460 CB GLU A 94 9.811 8.934 0.113 1.00 2.22 C ATOM 1461 CG GLU A 94 11.201 9.198 0.676 1.00 2.66 C ATOM 1462 CD GLU A 94 11.611 8.174 1.707 1.00 2.63 C ATOM 1463 OE1 GLU A 94 12.107 7.100 1.312 1.00 2.85 O ATOM 1464 OE2 GLU A 94 11.420 8.420 2.915 1.00 3.03 O ATOM 0 H GLU A 94 8.484 8.681 -1.965 1.00 1.88 H new ATOM 0 HA GLU A 94 10.671 7.183 -0.820 1.00 1.97 H new ATOM 0 HB2 GLU A 94 9.544 9.747 -0.563 1.00 2.22 H new ATOM 0 HB3 GLU A 94 9.091 8.950 0.931 1.00 2.22 H new ATOM 0 HG2 GLU A 94 11.925 9.199 -0.139 1.00 2.66 H new ATOM 0 HG3 GLU A 94 11.225 10.191 1.125 1.00 2.66 H new ATOM 1471 N LYS A 95 9.567 6.075 1.224 1.00 1.82 N ATOM 1472 CA LYS A 95 8.981 5.130 2.153 1.00 1.72 C ATOM 1473 C LYS A 95 9.680 5.271 3.503 1.00 1.77 C ATOM 1474 O LYS A 95 10.515 4.444 3.874 1.00 1.96 O ATOM 1475 CB LYS A 95 9.120 3.698 1.632 1.00 1.81 C ATOM 1476 CG LYS A 95 7.952 2.801 2.008 1.00 1.79 C ATOM 1477 CD LYS A 95 6.867 2.828 0.940 1.00 2.06 C ATOM 1478 CE LYS A 95 5.622 2.063 1.366 1.00 2.15 C ATOM 1479 NZ LYS A 95 5.956 0.815 2.104 1.00 2.38 N ATOM 0 H LYS A 95 10.542 6.298 1.425 1.00 1.82 H new ATOM 0 HA LYS A 95 7.918 5.343 2.262 1.00 1.72 H new ATOM 0 HB2 LYS A 95 9.215 3.722 0.546 1.00 1.81 H new ATOM 0 HB3 LYS A 95 10.041 3.265 2.023 1.00 1.81 H new ATOM 0 HG2 LYS A 95 8.305 1.779 2.145 1.00 1.79 H new ATOM 0 HG3 LYS A 95 7.535 3.124 2.962 1.00 1.79 H new ATOM 0 HD2 LYS A 95 6.599 3.862 0.722 1.00 2.06 H new ATOM 0 HD3 LYS A 95 7.257 2.399 0.017 1.00 2.06 H new ATOM 0 HE2 LYS A 95 5.003 2.701 1.996 1.00 2.15 H new ATOM 0 HE3 LYS A 95 5.030 1.815 0.485 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 5.260 0.078 1.872 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 6.906 0.493 1.830 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 5.935 1.001 3.127 1.00 2.38 H new ATOM 1493 N SER A 96 9.361 6.346 4.213 1.00 1.80 N ATOM 1494 CA SER A 96 9.960 6.628 5.511 1.00 1.92 C ATOM 1495 C SER A 96 9.552 5.590 6.556 1.00 1.83 C ATOM 1496 O SER A 96 8.393 5.530 6.970 1.00 1.95 O ATOM 1497 CB SER A 96 9.547 8.028 5.951 1.00 2.15 C ATOM 1498 OG SER A 96 9.484 8.904 4.834 1.00 2.38 O ATOM 0 H SER A 96 8.683 7.044 3.907 1.00 1.80 H new ATOM 0 HA SER A 96 11.045 6.576 5.418 1.00 1.92 H new ATOM 0 HB2 SER A 96 8.576 7.989 6.444 1.00 2.15 H new ATOM 0 HB3 SER A 96 10.260 8.411 6.681 1.00 2.15 H new ATOM 0 HG SER A 96 10.234 8.719 4.230 1.00 2.38 H new ATOM 1504 N ASN A 97 10.517 4.778 6.973 1.00 1.89 N ATOM 1505 CA ASN A 97 10.280 3.731 7.958 1.00 1.93 C ATOM 1506 C ASN A 97 11.601 3.095 8.363 1.00 2.29 C ATOM 1507 O ASN A 97 12.324 2.613 7.462 1.00 2.53 O ATOM 1508 CB ASN A 97 9.340 2.660 7.396 1.00 1.89 C ATOM 1509 CG ASN A 97 8.985 1.600 8.419 1.00 2.00 C ATOM 1510 OD1 ASN A 97 9.643 0.563 8.516 1.00 2.24 O ATOM 1511 ND2 ASN A 97 7.936 1.850 9.185 1.00 1.96 N ATOM 1512 OXT ASN A 97 11.921 3.094 9.568 1.00 2.61 O ATOM 0 H ASN A 97 11.480 4.827 6.640 1.00 1.89 H new ATOM 0 HA ASN A 97 9.810 4.180 8.833 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.426 3.135 7.039 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.810 2.185 6.535 1.00 1.89 H new ATOM 0 HD21 ASN A 97 7.645 1.171 9.888 1.00 1.96 H new ATOM 0 HD22 ASN A 97 7.418 2.722 9.072 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 21.831 1.989 7.726 1.00 5.24 N ATOM 1521 CA ARG B 185 21.047 3.162 7.265 1.00 5.09 C ATOM 1522 C ARG B 185 19.637 3.110 7.845 1.00 5.04 C ATOM 1523 O ARG B 185 19.136 2.034 8.161 1.00 4.90 O ATOM 1524 CB ARG B 185 20.986 3.213 5.728 1.00 4.43 C ATOM 1525 CG ARG B 185 20.557 1.908 5.074 1.00 4.00 C ATOM 1526 CD ARG B 185 20.049 2.119 3.653 1.00 3.44 C ATOM 1527 NE ARG B 185 21.010 2.830 2.809 1.00 3.76 N ATOM 1528 CZ ARG B 185 21.691 2.264 1.808 1.00 3.61 C ATOM 1529 NH1 ARG B 185 21.629 0.954 1.610 1.00 3.10 N ATOM 1530 NH2 ARG B 185 22.469 3.004 1.032 1.00 4.24 N ATOM 0 HA ARG B 185 21.545 4.066 7.617 1.00 5.09 H new ATOM 0 HB2 ARG B 185 20.293 4.000 5.430 1.00 4.43 H new ATOM 0 HB3 ARG B 185 21.968 3.491 5.346 1.00 4.43 H new ATOM 0 HG2 ARG B 185 21.400 1.217 5.058 1.00 4.00 H new ATOM 0 HG3 ARG B 185 19.774 1.443 5.673 1.00 4.00 H new ATOM 0 HD2 ARG B 185 19.824 1.151 3.205 1.00 3.44 H new ATOM 0 HD3 ARG B 185 19.115 2.680 3.685 1.00 3.44 H new ATOM 0 HE ARG B 185 21.170 3.820 2.996 1.00 3.76 H new ATOM 0 HH11 ARG B 185 21.059 0.372 2.224 1.00 3.10 H new ATOM 0 HH12 ARG B 185 22.151 0.529 0.844 1.00 3.10 H new ATOM 0 HH21 ARG B 185 22.549 4.007 1.198 1.00 4.24 H new ATOM 0 HH22 ARG B 185 22.988 2.571 0.268 1.00 4.24 H new ATOM 1546 N TYR B 186 18.989 4.266 7.962 1.00 5.30 N ATOM 1547 CA TYR B 186 17.638 4.335 8.520 1.00 5.40 C ATOM 1548 C TYR B 186 16.576 4.102 7.447 1.00 4.76 C ATOM 1549 O TYR B 186 15.593 4.840 7.354 1.00 4.97 O ATOM 1550 CB TYR B 186 17.405 5.690 9.205 1.00 6.21 C ATOM 1551 CG TYR B 186 17.979 6.882 8.458 1.00 6.50 C ATOM 1552 CD1 TYR B 186 17.437 7.305 7.250 1.00 6.39 C ATOM 1553 CD2 TYR B 186 19.069 7.584 8.965 1.00 7.04 C ATOM 1554 CE1 TYR B 186 17.959 8.387 6.571 1.00 6.82 C ATOM 1555 CE2 TYR B 186 19.596 8.670 8.292 1.00 7.46 C ATOM 1556 CZ TYR B 186 19.039 9.066 7.092 1.00 7.36 C ATOM 1557 OH TYR B 186 19.565 10.139 6.412 1.00 7.91 O ATOM 0 H TYR B 186 19.375 5.167 7.679 1.00 5.30 H new ATOM 0 HA TYR B 186 17.549 3.541 9.262 1.00 5.40 H new ATOM 0 HB2 TYR B 186 16.333 5.839 9.332 1.00 6.21 H new ATOM 0 HB3 TYR B 186 17.842 5.658 10.203 1.00 6.21 H new ATOM 0 HD1 TYR B 186 16.591 6.777 6.835 1.00 6.39 H new ATOM 0 HD2 TYR B 186 19.511 7.275 9.901 1.00 7.04 H new ATOM 0 HE1 TYR B 186 17.522 8.701 5.634 1.00 6.82 H new ATOM 0 HE2 TYR B 186 20.439 9.206 8.702 1.00 7.46 H new ATOM 0 HH TYR B 186 20.321 10.506 6.915 1.00 7.91 H new ATOM 1567 N HIS B 187 16.768 3.064 6.649 1.00 4.11 N ATOM 1568 CA HIS B 187 15.836 2.740 5.578 1.00 3.50 C ATOM 1569 C HIS B 187 15.989 1.285 5.165 1.00 2.93 C ATOM 1570 O HIS B 187 17.072 0.862 4.760 1.00 2.65 O ATOM 1571 CB HIS B 187 16.083 3.642 4.364 1.00 3.36 C ATOM 1572 CG HIS B 187 14.956 4.584 4.060 1.00 3.78 C ATOM 1573 ND1 HIS B 187 14.469 5.497 4.970 1.00 4.02 N ATOM 1574 CD2 HIS B 187 14.234 4.766 2.930 1.00 4.34 C ATOM 1575 CE1 HIS B 187 13.502 6.198 4.411 1.00 4.46 C ATOM 1576 NE2 HIS B 187 13.340 5.777 3.174 1.00 4.67 N ATOM 0 H HIS B 187 17.563 2.429 6.722 1.00 4.11 H new ATOM 0 HA HIS B 187 14.823 2.904 5.947 1.00 3.50 H new ATOM 0 HB2 HIS B 187 16.990 4.221 4.534 1.00 3.36 H new ATOM 0 HB3 HIS B 187 16.264 3.016 3.491 1.00 3.36 H new ATOM 0 HD2 HIS B 187 14.342 4.217 2.007 1.00 4.34 H new ATOM 0 HE1 HIS B 187 12.937 6.986 4.888 1.00 4.46 H new ATOM 0 HE2 HIS B 187 12.661 6.143 2.507 1.00 4.67 H new ATOM 1585 N ARG B 188 14.915 0.522 5.289 1.00 2.96 N ATOM 1586 CA ARG B 188 14.936 -0.881 4.901 1.00 2.79 C ATOM 1587 C ARG B 188 14.693 -0.994 3.398 1.00 2.14 C ATOM 1588 O ARG B 188 13.985 -0.163 2.823 1.00 1.99 O ATOM 1589 CB ARG B 188 13.884 -1.681 5.691 1.00 3.34 C ATOM 1590 CG ARG B 188 12.618 -2.017 4.905 1.00 3.55 C ATOM 1591 CD ARG B 188 11.379 -1.387 5.524 1.00 3.79 C ATOM 1592 NE ARG B 188 11.530 0.053 5.701 1.00 3.55 N ATOM 1593 CZ ARG B 188 11.335 0.951 4.734 1.00 3.89 C ATOM 1594 NH1 ARG B 188 10.861 0.581 3.549 1.00 4.48 N ATOM 1595 NH2 ARG B 188 11.579 2.229 4.972 1.00 4.04 N ATOM 0 H ARG B 188 14.020 0.848 5.654 1.00 2.96 H new ATOM 0 HA ARG B 188 15.913 -1.303 5.135 1.00 2.79 H new ATOM 0 HB2 ARG B 188 14.338 -2.609 6.038 1.00 3.34 H new ATOM 0 HB3 ARG B 188 13.605 -1.112 6.578 1.00 3.34 H new ATOM 0 HG2 ARG B 188 12.726 -1.670 3.877 1.00 3.55 H new ATOM 0 HG3 ARG B 188 12.493 -3.099 4.864 1.00 3.55 H new ATOM 0 HD2 ARG B 188 10.515 -1.586 4.889 1.00 3.79 H new ATOM 0 HD3 ARG B 188 11.179 -1.852 6.489 1.00 3.79 H new ATOM 0 HE ARG B 188 11.802 0.395 6.623 1.00 3.55 H new ATOM 0 HH11 ARG B 188 10.642 -0.399 3.371 1.00 4.48 H new ATOM 0 HH12 ARG B 188 10.716 1.277 2.818 1.00 4.48 H new ATOM 0 HH21 ARG B 188 11.914 2.522 5.890 1.00 4.04 H new ATOM 0 HH22 ARG B 188 11.432 2.922 4.238 1.00 4.04 H new ATOM 1609 N ARG B 189 15.291 -2.008 2.774 1.00 2.02 N ATOM 1610 CA ARG B 189 15.144 -2.236 1.335 1.00 1.77 C ATOM 1611 C ARG B 189 15.635 -1.033 0.538 1.00 1.33 C ATOM 1612 O ARG B 189 14.845 -0.291 -0.051 1.00 1.67 O ATOM 1613 CB ARG B 189 13.691 -2.543 0.974 1.00 2.37 C ATOM 1614 CG ARG B 189 13.167 -3.815 1.612 1.00 3.12 C ATOM 1615 CD ARG B 189 11.653 -3.905 1.523 1.00 3.82 C ATOM 1616 NE ARG B 189 11.159 -5.164 2.070 1.00 4.33 N ATOM 1617 CZ ARG B 189 10.332 -5.265 3.108 1.00 4.83 C ATOM 1618 NH1 ARG B 189 9.816 -4.177 3.674 1.00 4.91 N ATOM 1619 NH2 ARG B 189 9.997 -6.463 3.562 1.00 5.48 N ATOM 0 H ARG B 189 15.886 -2.689 3.245 1.00 2.02 H new ATOM 0 HA ARG B 189 15.757 -3.099 1.076 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.064 -1.706 1.281 1.00 2.37 H new ATOM 0 HB3 ARG B 189 13.603 -2.626 -0.109 1.00 2.37 H new ATOM 0 HG2 ARG B 189 13.613 -4.679 1.120 1.00 3.12 H new ATOM 0 HG3 ARG B 189 13.473 -3.851 2.658 1.00 3.12 H new ATOM 0 HD2 ARG B 189 11.206 -3.071 2.064 1.00 3.82 H new ATOM 0 HD3 ARG B 189 11.343 -3.813 0.482 1.00 3.82 H new ATOM 0 HE ARG B 189 11.469 -6.028 1.626 1.00 4.33 H new ATOM 0 HH11 ARG B 189 10.053 -3.253 3.313 1.00 4.91 H new ATOM 0 HH12 ARG B 189 9.183 -4.267 4.469 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.372 -7.300 3.117 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.364 -6.548 4.357 1.00 5.48 H new ATOM 1633 N GLY B 190 16.940 -0.837 0.539 1.00 1.17 N ATOM 1634 CA GLY B 190 17.524 0.272 -0.183 1.00 1.54 C ATOM 1635 C GLY B 190 18.789 -0.141 -0.887 1.00 1.70 C ATOM 1636 O GLY B 190 19.881 0.272 -0.507 1.00 1.97 O ATOM 0 H GLY B 190 17.611 -1.429 1.029 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.808 0.653 -0.911 1.00 1.54 H new ATOM 0 HA3 GLY B 190 17.739 1.086 0.509 1.00 1.54 H new ATOM 1640 N GLY B 191 18.649 -0.974 -1.905 1.00 1.91 N ATOM 1641 CA GLY B 191 19.805 -1.450 -2.635 1.00 2.36 C ATOM 1642 C GLY B 191 20.299 -2.764 -2.073 1.00 2.17 C ATOM 1643 O GLY B 191 20.622 -3.691 -2.815 1.00 2.71 O ATOM 0 H GLY B 191 17.754 -1.330 -2.240 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.549 -1.574 -3.687 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.601 -0.707 -2.586 1.00 2.36 H new ATOM 1647 N TYR B 192 20.337 -2.839 -0.754 1.00 1.71 N ATOM 1648 CA TYR B 192 20.770 -4.030 -0.052 1.00 1.86 C ATOM 1649 C TYR B 192 19.970 -4.155 1.242 1.00 1.87 C ATOM 1650 O TYR B 192 18.788 -3.804 1.279 1.00 2.21 O ATOM 1651 CB TYR B 192 22.276 -3.956 0.232 1.00 1.91 C ATOM 1652 CG TYR B 192 22.918 -5.292 0.563 1.00 2.45 C ATOM 1653 CD1 TYR B 192 22.788 -6.378 -0.290 1.00 2.95 C ATOM 1654 CD2 TYR B 192 23.654 -5.460 1.731 1.00 2.80 C ATOM 1655 CE1 TYR B 192 23.373 -7.593 0.009 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.245 -6.673 2.036 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.101 -7.736 1.171 1.00 3.77 C ATOM 1658 OH TYR B 192 24.687 -8.947 1.468 1.00 4.48 O ATOM 0 H TYR B 192 20.067 -2.071 -0.139 1.00 1.71 H new ATOM 0 HA TYR B 192 20.592 -4.913 -0.666 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.777 -3.531 -0.638 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.444 -3.270 1.063 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.220 -6.272 -1.203 1.00 2.95 H new ATOM 0 HD2 TYR B 192 23.766 -4.629 2.412 1.00 2.80 H new ATOM 0 HE1 TYR B 192 23.260 -8.429 -0.666 1.00 3.62 H new ATOM 0 HE2 TYR B 192 24.815 -6.786 2.946 1.00 3.41 H new ATOM 0 HH TYR B 192 25.164 -8.879 2.321 1.00 4.48 H new ATOM 1668 N ASP B 193 20.612 -4.632 2.299 1.00 2.08 N ATOM 1669 CA ASP B 193 19.962 -4.800 3.593 1.00 2.57 C ATOM 1670 C ASP B 193 19.686 -3.438 4.239 1.00 2.39 C ATOM 1671 O ASP B 193 19.685 -2.405 3.567 1.00 2.59 O ATOM 1672 CB ASP B 193 20.851 -5.649 4.510 1.00 3.18 C ATOM 1673 CG ASP B 193 20.057 -6.476 5.504 1.00 3.84 C ATOM 1674 OD1 ASP B 193 19.553 -5.904 6.491 1.00 4.14 O ATOM 1675 OD2 ASP B 193 19.939 -7.703 5.308 1.00 4.22 O ATOM 0 H ASP B 193 21.593 -4.912 2.285 1.00 2.08 H new ATOM 0 HA ASP B 193 19.009 -5.308 3.444 1.00 2.57 H new ATOM 0 HB2 ASP B 193 21.463 -6.313 3.900 1.00 3.18 H new ATOM 0 HB3 ASP B 193 21.533 -4.995 5.053 1.00 3.18 H new ATOM 1680 N VAL B 194 19.477 -3.433 5.545 1.00 2.39 N ATOM 1681 CA VAL B 194 19.202 -2.200 6.272 1.00 2.62 C ATOM 1682 C VAL B 194 20.488 -1.376 6.461 1.00 2.80 C ATOM 1683 O VAL B 194 20.496 -0.345 7.134 1.00 3.15 O ATOM 1684 CB VAL B 194 18.540 -2.502 7.640 1.00 3.43 C ATOM 1685 CG1 VAL B 194 19.555 -3.032 8.640 1.00 3.97 C ATOM 1686 CG2 VAL B 194 17.826 -1.271 8.184 1.00 3.78 C ATOM 0 H VAL B 194 19.492 -4.271 6.127 1.00 2.39 H new ATOM 0 HA VAL B 194 18.504 -1.609 5.679 1.00 2.62 H new ATOM 0 HB VAL B 194 17.794 -3.281 7.483 1.00 3.43 H new ATOM 0 HG11 VAL B 194 19.059 -3.234 9.589 1.00 3.97 H new ATOM 0 HG12 VAL B 194 19.996 -3.953 8.258 1.00 3.97 H new ATOM 0 HG13 VAL B 194 20.339 -2.290 8.791 1.00 3.97 H new ATOM 0 HG21 VAL B 194 17.370 -1.510 9.145 1.00 3.78 H new ATOM 0 HG22 VAL B 194 18.544 -0.462 8.314 1.00 3.78 H new ATOM 0 HG23 VAL B 194 17.052 -0.960 7.482 1.00 3.78 H new ATOM 1696 N GLU B 195 21.571 -1.824 5.846 1.00 2.75 N ATOM 1697 CA GLU B 195 22.841 -1.128 5.945 1.00 3.12 C ATOM 1698 C GLU B 195 23.222 -0.520 4.598 1.00 2.88 C ATOM 1699 O GLU B 195 22.682 -0.907 3.562 1.00 2.39 O ATOM 1700 CB GLU B 195 23.931 -2.077 6.441 1.00 3.40 C ATOM 1701 CG GLU B 195 25.172 -1.361 6.957 1.00 4.16 C ATOM 1702 CD GLU B 195 24.831 -0.191 7.861 1.00 4.65 C ATOM 1703 OE1 GLU B 195 24.413 0.868 7.337 1.00 4.87 O ATOM 1704 OE2 GLU B 195 24.967 -0.326 9.094 1.00 5.02 O ATOM 0 H GLU B 195 21.594 -2.667 5.273 1.00 2.75 H new ATOM 0 HA GLU B 195 22.739 -0.318 6.667 1.00 3.12 H new ATOM 0 HB2 GLU B 195 23.524 -2.701 7.237 1.00 3.40 H new ATOM 0 HB3 GLU B 195 24.218 -2.744 5.628 1.00 3.40 H new ATOM 0 HG2 GLU B 195 25.796 -2.069 7.503 1.00 4.16 H new ATOM 0 HG3 GLU B 195 25.760 -1.004 6.112 1.00 4.16 H new ATOM 1711 N ASN B 196 24.137 0.444 4.626 1.00 3.43 N ATOM 1712 CA ASN B 196 24.596 1.114 3.412 1.00 3.64 C ATOM 1713 C ASN B 196 25.413 0.165 2.544 1.00 3.41 C ATOM 1714 O ASN B 196 25.447 0.315 1.325 1.00 3.56 O ATOM 1715 CB ASN B 196 25.438 2.341 3.770 1.00 4.47 C ATOM 1716 CG ASN B 196 25.508 3.359 2.645 1.00 4.94 C ATOM 1717 OD1 ASN B 196 24.771 4.347 2.638 1.00 5.26 O ATOM 1718 ND2 ASN B 196 26.392 3.130 1.686 1.00 5.14 N ATOM 0 H ASN B 196 24.578 0.781 5.482 1.00 3.43 H new ATOM 0 HA ASN B 196 23.719 1.432 2.849 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.020 2.816 4.657 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.448 2.020 4.026 1.00 4.47 H new ATOM 0 HD21 ASN B 196 26.480 3.783 0.907 1.00 5.14 H new ATOM 0 HD22 ASN B 196 26.985 2.301 1.726 1.00 5.14 H new ATOM 1725 N GLU B 197 26.072 -0.793 3.205 1.00 3.29 N ATOM 1726 CA GLU B 197 26.913 -1.816 2.562 1.00 3.26 C ATOM 1727 C GLU B 197 28.031 -1.204 1.705 1.00 3.82 C ATOM 1728 O GLU B 197 28.198 0.019 1.660 1.00 4.30 O ATOM 1729 CB GLU B 197 26.067 -2.816 1.751 1.00 2.93 C ATOM 1730 CG GLU B 197 25.680 -2.353 0.355 1.00 3.10 C ATOM 1731 CD GLU B 197 25.819 -3.449 -0.674 1.00 3.38 C ATOM 1732 OE1 GLU B 197 26.805 -4.208 -0.601 1.00 3.60 O ATOM 1733 OE2 GLU B 197 24.957 -3.544 -1.571 1.00 3.83 O ATOM 0 H GLU B 197 26.037 -0.883 4.220 1.00 3.29 H new ATOM 0 HA GLU B 197 27.400 -2.368 3.366 1.00 3.26 H new ATOM 0 HB2 GLU B 197 26.621 -3.751 1.666 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.157 -3.034 2.310 1.00 2.93 H new ATOM 0 HG2 GLU B 197 24.650 -1.997 0.366 1.00 3.10 H new ATOM 0 HG3 GLU B 197 26.306 -1.508 0.069 1.00 3.10 H new ATOM 1740 N GLU B 198 28.819 -2.064 1.059 1.00 3.91 N ATOM 1741 CA GLU B 198 29.934 -1.609 0.228 1.00 4.52 C ATOM 1742 C GLU B 198 30.200 -2.540 -0.955 1.00 4.64 C ATOM 1743 O GLU B 198 31.141 -2.322 -1.720 1.00 5.16 O ATOM 1744 CB GLU B 198 31.205 -1.508 1.071 1.00 4.90 C ATOM 1745 CG GLU B 198 31.486 -0.116 1.606 1.00 5.36 C ATOM 1746 CD GLU B 198 32.647 -0.098 2.573 1.00 5.99 C ATOM 1747 OE1 GLU B 198 32.418 -0.283 3.787 1.00 6.25 O ATOM 1748 OE2 GLU B 198 33.794 0.097 2.128 1.00 6.45 O ATOM 0 H GLU B 198 28.706 -3.077 1.095 1.00 3.91 H new ATOM 0 HA GLU B 198 29.655 -0.632 -0.167 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.127 -2.199 1.910 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.054 -1.832 0.469 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.699 0.555 0.774 1.00 5.36 H new ATOM 0 HG3 GLU B 198 30.595 0.266 2.104 1.00 5.36 H new ATOM 1755 N LYS B 199 29.385 -3.571 -1.122 1.00 4.32 N ATOM 1756 CA LYS B 199 29.589 -4.512 -2.214 1.00 4.64 C ATOM 1757 C LYS B 199 28.796 -4.078 -3.440 1.00 4.89 C ATOM 1758 O LYS B 199 29.346 -3.965 -4.534 1.00 5.53 O ATOM 1759 CB LYS B 199 29.201 -5.929 -1.781 1.00 4.38 C ATOM 1760 CG LYS B 199 29.924 -7.020 -2.555 1.00 4.54 C ATOM 1761 CD LYS B 199 30.219 -8.234 -1.687 1.00 4.53 C ATOM 1762 CE LYS B 199 31.331 -7.961 -0.685 1.00 4.41 C ATOM 1763 NZ LYS B 199 32.558 -7.423 -1.333 1.00 4.56 N ATOM 0 H LYS B 199 28.585 -3.776 -0.523 1.00 4.32 H new ATOM 0 HA LYS B 199 30.647 -4.519 -2.478 1.00 4.64 H new ATOM 0 HB2 LYS B 199 29.414 -6.047 -0.718 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.126 -6.057 -1.907 1.00 4.38 H new ATOM 0 HG2 LYS B 199 29.316 -7.323 -3.408 1.00 4.54 H new ATOM 0 HG3 LYS B 199 30.858 -6.624 -2.954 1.00 4.54 H new ATOM 0 HD2 LYS B 199 29.315 -8.527 -1.154 1.00 4.53 H new ATOM 0 HD3 LYS B 199 30.501 -9.074 -2.322 1.00 4.53 H new ATOM 0 HE2 LYS B 199 30.977 -7.251 0.062 1.00 4.41 H new ATOM 0 HE3 LYS B 199 31.576 -8.883 -0.158 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 33.399 -7.798 -0.850 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 32.577 -7.709 -2.333 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 32.557 -6.385 -1.270 1.00 4.56 H new ATOM 1777 N VAL B 200 27.508 -3.829 -3.238 1.00 4.46 N ATOM 1778 CA VAL B 200 26.606 -3.370 -4.297 1.00 4.74 C ATOM 1779 C VAL B 200 26.589 -4.317 -5.499 1.00 5.32 C ATOM 1780 O VAL B 200 27.120 -4.003 -6.567 1.00 5.99 O ATOM 1781 CB VAL B 200 26.957 -1.934 -4.770 1.00 5.22 C ATOM 1782 CG1 VAL B 200 25.836 -1.347 -5.617 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.252 -1.029 -3.581 1.00 4.96 C ATOM 0 H VAL B 200 27.054 -3.939 -2.331 1.00 4.46 H new ATOM 0 HA VAL B 200 25.609 -3.362 -3.856 1.00 4.74 H new ATOM 0 HB VAL B 200 27.853 -1.998 -5.387 1.00 5.22 H new ATOM 0 HG11 VAL B 200 26.109 -0.341 -5.935 1.00 5.43 H new ATOM 0 HG12 VAL B 200 25.677 -1.974 -6.494 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.919 -1.306 -5.029 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.495 -0.028 -3.937 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.376 -0.981 -2.934 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.096 -1.429 -3.020 1.00 4.96 H new ATOM 1793 N LYS B 201 25.973 -5.479 -5.318 1.00 5.18 N ATOM 1794 CA LYS B 201 25.871 -6.473 -6.384 1.00 5.84 C ATOM 1795 C LYS B 201 24.858 -7.557 -6.027 1.00 5.78 C ATOM 1796 O LYS B 201 24.873 -8.645 -6.599 1.00 6.37 O ATOM 1797 CB LYS B 201 27.234 -7.111 -6.680 1.00 6.17 C ATOM 1798 CG LYS B 201 27.966 -7.599 -5.442 1.00 5.81 C ATOM 1799 CD LYS B 201 29.141 -8.500 -5.800 1.00 6.12 C ATOM 1800 CE LYS B 201 28.682 -9.899 -6.195 1.00 6.82 C ATOM 1801 NZ LYS B 201 29.553 -10.960 -5.614 1.00 7.02 N ATOM 0 H LYS B 201 25.535 -5.758 -4.440 1.00 5.18 H new ATOM 0 HA LYS B 201 25.529 -5.955 -7.280 1.00 5.84 H new ATOM 0 HB2 LYS B 201 27.091 -7.950 -7.360 1.00 6.17 H new ATOM 0 HB3 LYS B 201 27.860 -6.384 -7.198 1.00 6.17 H new ATOM 0 HG2 LYS B 201 28.325 -6.743 -4.870 1.00 5.81 H new ATOM 0 HG3 LYS B 201 27.273 -8.143 -4.800 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.702 -8.056 -6.622 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.820 -8.567 -4.950 1.00 6.12 H new ATOM 0 HE2 LYS B 201 27.655 -10.051 -5.862 1.00 6.82 H new ATOM 0 HE3 LYS B 201 28.681 -9.986 -7.281 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 29.205 -11.895 -5.908 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 30.528 -10.832 -5.952 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 29.535 -10.894 -4.576 1.00 7.02 H new ATOM 1815 N LEU B 202 23.975 -7.252 -5.087 1.00 5.18 N ATOM 1816 CA LEU B 202 22.953 -8.197 -4.659 1.00 5.23 C ATOM 1817 C LEU B 202 21.611 -7.490 -4.526 1.00 4.95 C ATOM 1818 O LEU B 202 21.309 -6.894 -3.494 1.00 4.37 O ATOM 1819 CB LEU B 202 23.339 -8.846 -3.328 1.00 4.91 C ATOM 1820 CG LEU B 202 24.382 -9.966 -3.419 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.752 -10.460 -2.030 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.866 -11.117 -4.271 1.00 6.12 C ATOM 0 H LEU B 202 23.946 -6.354 -4.604 1.00 5.18 H new ATOM 0 HA LEU B 202 22.870 -8.980 -5.413 1.00 5.23 H new ATOM 0 HB2 LEU B 202 23.720 -8.071 -2.663 1.00 4.91 H new ATOM 0 HB3 LEU B 202 22.438 -9.249 -2.865 1.00 4.91 H new ATOM 0 HG LEU B 202 25.275 -9.562 -3.895 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.493 -11.255 -2.112 1.00 5.10 H new ATOM 0 HD12 LEU B 202 25.166 -9.636 -1.449 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.862 -10.844 -1.531 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.623 -11.900 -4.322 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.956 -11.520 -3.826 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.649 -10.757 -5.277 1.00 6.12 H new ATOM 1834 N GLY B 203 20.803 -7.577 -5.572 1.00 5.44 N ATOM 1835 CA GLY B 203 19.509 -6.920 -5.573 1.00 5.30 C ATOM 1836 C GLY B 203 18.437 -7.681 -4.817 1.00 5.32 C ATOM 1837 O GLY B 203 17.253 -7.373 -4.943 1.00 5.33 O ATOM 0 H GLY B 203 21.020 -8.093 -6.425 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.615 -5.928 -5.134 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.184 -6.780 -6.604 1.00 5.30 H new ATOM 1841 N MET B 204 18.847 -8.652 -4.012 1.00 5.45 N ATOM 1842 CA MET B 204 17.905 -9.456 -3.240 1.00 5.69 C ATOM 1843 C MET B 204 17.060 -8.583 -2.309 1.00 5.11 C ATOM 1844 O MET B 204 15.841 -8.741 -2.235 1.00 5.36 O ATOM 1845 CB MET B 204 18.642 -10.533 -2.428 1.00 6.02 C ATOM 1846 CG MET B 204 19.763 -9.992 -1.546 1.00 5.50 C ATOM 1847 SD MET B 204 20.388 -11.202 -0.362 1.00 6.01 S ATOM 1848 CE MET B 204 21.006 -12.476 -1.456 1.00 6.67 C ATOM 0 H MET B 204 19.826 -8.903 -3.876 1.00 5.45 H new ATOM 0 HA MET B 204 17.237 -9.946 -3.948 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.921 -11.056 -1.800 1.00 6.02 H new ATOM 0 HB3 MET B 204 19.059 -11.269 -3.116 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.584 -9.656 -2.179 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.400 -9.118 -1.005 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.964 -12.841 -1.085 1.00 6.67 H new ATOM 0 HE2 MET B 204 20.293 -13.300 -1.494 1.00 6.67 H new ATOM 0 HE3 MET B 204 21.138 -12.064 -2.456 1.00 6.67 H new ATOM 1858 N THR B 205 17.709 -7.646 -1.631 1.00 4.40 N ATOM 1859 CA THR B 205 17.023 -6.756 -0.708 1.00 3.86 C ATOM 1860 C THR B 205 16.965 -5.336 -1.266 1.00 3.22 C ATOM 1861 O THR B 205 16.705 -4.378 -0.539 1.00 2.61 O ATOM 1862 CB THR B 205 17.739 -6.739 0.655 1.00 3.67 C ATOM 1863 OG1 THR B 205 18.533 -7.928 0.798 1.00 3.95 O ATOM 1864 CG2 THR B 205 16.740 -6.651 1.800 1.00 4.16 C ATOM 0 H THR B 205 18.713 -7.483 -1.704 1.00 4.40 H new ATOM 0 HA THR B 205 16.007 -7.128 -0.578 1.00 3.86 H new ATOM 0 HB THR B 205 18.380 -5.859 0.693 1.00 3.67 H new ATOM 0 HG1 THR B 205 18.989 -7.914 1.665 1.00 3.95 H new ATOM 0 HG21 THR B 205 17.275 -6.641 2.750 1.00 4.16 H new ATOM 0 HG22 THR B 205 16.155 -5.736 1.703 1.00 4.16 H new ATOM 0 HG23 THR B 205 16.073 -7.513 1.768 1.00 4.16 H new ATOM 1872 N ASN B 206 17.206 -5.212 -2.571 1.00 3.55 N ATOM 1873 CA ASN B 206 17.194 -3.910 -3.239 1.00 3.31 C ATOM 1874 C ASN B 206 15.875 -3.194 -2.996 1.00 3.04 C ATOM 1875 O ASN B 206 15.842 -1.990 -2.740 1.00 2.62 O ATOM 1876 CB ASN B 206 17.425 -4.076 -4.746 1.00 4.07 C ATOM 1877 CG ASN B 206 17.559 -2.746 -5.468 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.567 -2.149 -5.889 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.789 -2.280 -5.631 1.00 4.21 N ATOM 0 H ASN B 206 17.412 -5.998 -3.187 1.00 3.55 H new ATOM 0 HA ASN B 206 18.002 -3.309 -2.821 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.327 -4.666 -4.908 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.596 -4.637 -5.177 1.00 4.07 H new ATOM 0 HD21 ASN B 206 18.939 -1.397 -6.120 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.585 -2.804 -5.268 1.00 4.21 H new ATOM 1886 N SER B 207 14.790 -3.945 -3.092 1.00 3.47 N ATOM 1887 CA SER B 207 13.461 -3.406 -2.873 1.00 3.42 C ATOM 1888 C SER B 207 12.543 -4.472 -2.289 1.00 3.82 C ATOM 1889 O SER B 207 11.352 -4.240 -2.107 1.00 4.01 O ATOM 1890 CB SER B 207 12.873 -2.891 -4.186 1.00 3.85 C ATOM 1891 OG SER B 207 13.807 -2.096 -4.896 1.00 3.99 O ATOM 0 H SER B 207 14.807 -4.939 -3.322 1.00 3.47 H new ATOM 0 HA SER B 207 13.541 -2.579 -2.167 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.567 -3.735 -4.805 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.977 -2.305 -3.980 1.00 3.85 H new ATOM 0 HG SER B 207 13.402 -1.783 -5.732 1.00 3.99 H new ATOM 1897 N HIS B 208 13.104 -5.635 -1.989 1.00 4.12 N ATOM 1898 CA HIS B 208 12.328 -6.741 -1.446 1.00 4.71 C ATOM 1899 C HIS B 208 12.759 -7.011 -0.018 1.00 4.82 C ATOM 1900 O HIS B 208 11.898 -7.363 0.815 1.00 5.20 O ATOM 1901 CB HIS B 208 12.524 -7.998 -2.303 1.00 5.42 C ATOM 1902 CG HIS B 208 11.607 -9.133 -1.955 1.00 6.08 C ATOM 1903 ND1 HIS B 208 11.647 -9.803 -0.753 1.00 6.30 N ATOM 1904 CD2 HIS B 208 10.624 -9.724 -2.673 1.00 6.75 C ATOM 1905 CE1 HIS B 208 10.735 -10.754 -0.747 1.00 6.95 C ATOM 1906 NE2 HIS B 208 10.096 -10.727 -1.900 1.00 7.22 N ATOM 1907 OXT HIS B 208 13.955 -6.856 0.268 1.00 4.71 O ATOM 0 H HIS B 208 14.096 -5.837 -2.113 1.00 4.12 H new ATOM 0 HA HIS B 208 11.271 -6.475 -1.458 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.377 -7.736 -3.351 1.00 5.42 H new ATOM 0 HB3 HIS B 208 13.555 -8.336 -2.201 1.00 5.42 H new ATOM 0 HD2 HIS B 208 10.312 -9.455 -3.672 1.00 6.75 H new ATOM 0 HE1 HIS B 208 10.543 -11.440 0.065 1.00 6.95 H new ATOM 0 HE2 HIS B 208 9.335 -11.349 -2.172 1.00 7.22 H new TER 1916 HIS B 208