USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 855 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.104 (180deg=-0.845) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 5 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.016) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.0816 F(o=-0.74,f=-0.082) USER MOD Single : A 7 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.011) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.0157 F(o=-0.75,f=-0.016) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.051 X(o=-0.051,f=-0.065) USER MOD Single : A 12 SER OG : rot 7:sc= 0.0312 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -120:sc= 1.16 USER MOD Single : A 24 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.017) USER MOD Single : A 32 SER OG : rot -59:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.604 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -23:sc= 0.748 USER MOD Single : A 46 GLN : amide:sc= -8.88! C(o=-8.9!,f=-11!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 17:sc= 0.297 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.626 F(o=-2!,f=-0.63) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 169:sc= 0 (180deg=-0.228) USER MOD Single : A 74 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.817 F(o=-2.6,f=-0.82) USER MOD Single : A 85 TYR OH : rot 156:sc= 1.38 USER MOD Single : A 88 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.81) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-7.8e-05) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.251) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.35) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.611 -22.122 21.503 1.00 62.05 N ATOM 2 CA MET A 1 22.410 -21.432 21.960 1.00 64.41 C ATOM 3 C MET A 1 21.635 -20.852 20.782 1.00 74.24 C ATOM 4 O MET A 1 22.115 -19.953 20.092 1.00 23.14 O ATOM 5 CB MET A 1 22.779 -20.318 22.941 1.00 31.13 C ATOM 6 CG MET A 1 23.774 -20.750 24.006 1.00 63.43 C ATOM 7 SD MET A 1 23.314 -20.189 25.656 1.00 31.01 S ATOM 8 CE MET A 1 23.885 -18.492 25.608 1.00 31.01 C ATOM 0 H1 MET A 1 23.809 -22.927 22.131 1.00 62.05 H new ATOM 0 H2 MET A 1 23.465 -22.467 20.533 1.00 62.05 H new ATOM 0 H3 MET A 1 24.417 -21.464 21.519 1.00 62.05 H new ATOM 0 HA MET A 1 21.775 -22.158 22.468 1.00 64.41 H new ATOM 0 HB2 MET A 1 23.197 -19.479 22.385 1.00 31.13 H new ATOM 0 HB3 MET A 1 21.872 -19.958 23.427 1.00 31.13 H new ATOM 0 HG2 MET A 1 23.852 -21.837 24.005 1.00 63.43 H new ATOM 0 HG3 MET A 1 24.760 -20.359 23.756 1.00 63.43 H new ATOM 0 HE1 MET A 1 23.671 -18.009 26.561 1.00 31.01 H new ATOM 0 HE2 MET A 1 24.959 -18.475 25.426 1.00 31.01 H new ATOM 0 HE3 MET A 1 23.373 -17.958 24.808 1.00 31.01 H new ATOM 18 N ALA A 2 20.433 -21.373 20.556 1.00 13.33 N ATOM 19 CA ALA A 2 19.590 -20.905 19.463 1.00 44.24 C ATOM 20 C ALA A 2 18.253 -20.389 19.982 1.00 54.11 C ATOM 21 O ALA A 2 17.925 -19.214 19.823 1.00 44.31 O ATOM 22 CB ALA A 2 19.371 -22.020 18.451 1.00 45.22 C ATOM 0 H ALA A 2 20.021 -22.120 21.116 1.00 13.33 H new ATOM 0 HA ALA A 2 20.102 -20.078 18.971 1.00 44.24 H new ATOM 0 HB1 ALA A 2 18.740 -21.657 17.640 1.00 45.22 H new ATOM 0 HB2 ALA A 2 20.332 -22.339 18.048 1.00 45.22 H new ATOM 0 HB3 ALA A 2 18.884 -22.864 18.939 1.00 45.22 H new ATOM 28 N GLY A 3 17.482 -21.277 20.603 1.00 10.44 N ATOM 29 CA GLY A 3 16.188 -20.892 21.136 1.00 51.33 C ATOM 30 C GLY A 3 15.292 -22.085 21.400 1.00 34.13 C ATOM 31 O GLY A 3 15.690 -23.030 22.081 1.00 32.22 O ATOM 0 H GLY A 3 17.730 -22.256 20.746 1.00 10.44 H new ATOM 0 HA2 GLY A 3 16.331 -20.337 22.063 1.00 51.33 H new ATOM 0 HA3 GLY A 3 15.695 -20.219 20.434 1.00 51.33 H new ATOM 35 N SER A 4 14.077 -22.042 20.862 1.00 10.12 N ATOM 36 CA SER A 4 13.119 -23.126 21.049 1.00 44.35 C ATOM 37 C SER A 4 11.831 -22.851 20.278 1.00 3.03 C ATOM 38 O SER A 4 11.471 -23.593 19.364 1.00 13.01 O ATOM 39 CB SER A 4 12.809 -23.310 22.535 1.00 34.11 C ATOM 40 OG SER A 4 12.598 -22.061 23.171 1.00 72.32 O ATOM 0 H SER A 4 13.733 -21.268 20.293 1.00 10.12 H new ATOM 0 HA SER A 4 13.564 -24.043 20.663 1.00 44.35 H new ATOM 0 HB2 SER A 4 11.923 -23.934 22.650 1.00 34.11 H new ATOM 0 HB3 SER A 4 13.633 -23.834 23.019 1.00 34.11 H new ATOM 0 HG SER A 4 12.400 -22.206 24.120 1.00 72.32 H new ATOM 46 N HIS A 5 11.141 -21.779 20.655 1.00 44.02 N ATOM 47 CA HIS A 5 9.893 -21.404 20.000 1.00 60.41 C ATOM 48 C HIS A 5 10.144 -20.977 18.557 1.00 75.33 C ATOM 49 O HIS A 5 11.227 -20.500 18.219 1.00 2.41 O ATOM 50 CB HIS A 5 9.209 -20.273 20.768 1.00 43.34 C ATOM 51 CG HIS A 5 9.944 -18.970 20.694 1.00 50.42 C ATOM 52 ND1 HIS A 5 9.364 -17.803 20.242 1.00 70.21 N ATOM 53 CD2 HIS A 5 11.219 -18.652 21.020 1.00 71.55 C ATOM 54 CE1 HIS A 5 10.251 -16.825 20.291 1.00 32.31 C ATOM 55 NE2 HIS A 5 11.385 -17.314 20.760 1.00 74.21 N ATOM 0 H HIS A 5 11.425 -21.155 21.410 1.00 44.02 H new ATOM 0 HA HIS A 5 9.238 -22.276 19.994 1.00 60.41 H new ATOM 0 HB2 HIS A 5 8.202 -20.135 20.375 1.00 43.34 H new ATOM 0 HB3 HIS A 5 9.107 -20.564 21.813 1.00 43.34 H new ATOM 0 HD2 HIS A 5 11.967 -19.326 21.412 1.00 71.55 H new ATOM 0 HE1 HIS A 5 10.078 -15.800 19.998 1.00 32.31 H new ATOM 0 HE2 HIS A 5 12.244 -16.784 20.905 1.00 74.21 H new ATOM 63 N HIS A 6 9.135 -21.153 17.709 1.00 71.41 N ATOM 64 CA HIS A 6 9.246 -20.786 16.302 1.00 62.23 C ATOM 65 C HIS A 6 9.521 -19.293 16.150 1.00 70.22 C ATOM 66 O HIS A 6 9.200 -18.499 17.035 1.00 63.31 O ATOM 67 CB HIS A 6 7.967 -21.160 15.553 1.00 53.14 C ATOM 68 CG HIS A 6 6.804 -20.272 15.873 1.00 41.43 C ATOM 69 ND1 HIS A 6 6.505 -19.575 16.994 1.00 44.55 N flip ATOM 70 CD2 HIS A 6 5.781 -20.021 14.983 1.00 54.12 C flip ATOM 71 CE1 HIS A 6 5.319 -18.921 16.763 1.00 60.44 C flip ATOM 72 NE2 HIS A 6 4.904 -19.206 15.542 1.00 63.34 N flip ATOM 0 H HIS A 6 8.232 -21.547 17.972 1.00 71.41 H new ATOM 0 HA HIS A 6 10.083 -21.337 15.873 1.00 62.23 H new ATOM 0 HB2 HIS A 6 8.159 -21.121 14.481 1.00 53.14 H new ATOM 0 HB3 HIS A 6 7.704 -22.190 15.792 1.00 53.14 H new ATOM 0 HD2 HIS A 6 5.708 -20.427 13.985 1.00 54.12 H new ATOM 0 HE1 HIS A 6 4.809 -18.278 17.466 1.00 60.44 H new ATOM 0 HE2 HIS A 6 4.051 -18.856 15.105 1.00 63.34 H new ATOM 80 N HIS A 7 10.117 -18.918 15.023 1.00 43.34 N ATOM 81 CA HIS A 7 10.435 -17.520 14.755 1.00 4.51 C ATOM 82 C HIS A 7 9.635 -16.998 13.566 1.00 71.24 C ATOM 83 O HIS A 7 9.234 -17.765 12.690 1.00 72.41 O ATOM 84 CB HIS A 7 11.932 -17.357 14.488 1.00 21.30 C ATOM 85 CG HIS A 7 12.500 -16.078 15.021 1.00 65.20 C ATOM 86 ND1 HIS A 7 13.395 -15.301 14.316 1.00 24.04 N ATOM 87 CD2 HIS A 7 12.295 -15.440 16.197 1.00 21.41 C ATOM 88 CE1 HIS A 7 13.717 -14.241 15.037 1.00 63.43 C ATOM 89 NE2 HIS A 7 13.063 -14.302 16.182 1.00 13.23 N ATOM 0 H HIS A 7 10.389 -19.562 14.281 1.00 43.34 H new ATOM 0 HA HIS A 7 10.165 -16.937 15.636 1.00 4.51 H new ATOM 0 HB2 HIS A 7 12.466 -18.196 14.935 1.00 21.30 H new ATOM 0 HB3 HIS A 7 12.108 -17.403 13.413 1.00 21.30 H new ATOM 0 HD2 HIS A 7 11.648 -15.765 16.998 1.00 21.41 H new ATOM 0 HE1 HIS A 7 14.399 -13.458 14.740 1.00 63.43 H new ATOM 0 HE2 HIS A 7 13.119 -13.615 16.934 1.00 13.23 H new ATOM 97 N HIS A 8 9.405 -15.689 13.541 1.00 21.11 N ATOM 98 CA HIS A 8 8.652 -15.065 12.459 1.00 70.31 C ATOM 99 C HIS A 8 9.434 -15.122 11.150 1.00 53.01 C ATOM 100 O HIS A 8 10.660 -15.235 11.152 1.00 70.44 O ATOM 101 CB HIS A 8 8.324 -13.613 12.808 1.00 23.32 C ATOM 102 CG HIS A 8 9.530 -12.727 12.879 1.00 71.52 C ATOM 103 ND1 HIS A 8 10.593 -12.744 13.716 1.00 62.14 N flip ATOM 104 CD2 HIS A 8 9.739 -11.671 12.018 1.00 21.44 C flip ATOM 105 CE1 HIS A 8 11.418 -11.710 13.349 1.00 12.31 C flip ATOM 106 NE2 HIS A 8 10.880 -11.078 12.321 1.00 55.51 N flip ATOM 0 H HIS A 8 9.729 -15.040 14.258 1.00 21.11 H new ATOM 0 HA HIS A 8 7.722 -15.618 12.331 1.00 70.31 H new ATOM 0 HB2 HIS A 8 7.635 -13.216 12.063 1.00 23.32 H new ATOM 0 HB3 HIS A 8 7.807 -13.586 13.767 1.00 23.32 H new ATOM 0 HD2 HIS A 8 9.074 -11.375 11.220 1.00 21.44 H new ATOM 0 HE1 HIS A 8 12.354 -11.455 13.823 1.00 12.31 H new ATOM 0 HE2 HIS A 8 11.278 -10.270 11.843 1.00 55.51 H new ATOM 114 N HIS A 9 8.716 -15.043 10.034 1.00 62.13 N ATOM 115 CA HIS A 9 9.343 -15.086 8.717 1.00 10.33 C ATOM 116 C HIS A 9 9.841 -13.703 8.308 1.00 65.01 C ATOM 117 O HIS A 9 9.053 -12.773 8.136 1.00 34.13 O ATOM 118 CB HIS A 9 8.356 -15.614 7.676 1.00 52.31 C ATOM 119 CG HIS A 9 8.086 -17.082 7.797 1.00 15.21 C ATOM 120 ND1 HIS A 9 6.986 -17.593 8.454 1.00 4.05 N ATOM 121 CD2 HIS A 9 8.778 -18.150 7.339 1.00 64.43 C ATOM 122 CE1 HIS A 9 7.016 -18.912 8.397 1.00 71.43 C ATOM 123 NE2 HIS A 9 8.093 -19.276 7.725 1.00 61.14 N ATOM 0 H HIS A 9 7.701 -14.949 10.015 1.00 62.13 H new ATOM 0 HA HIS A 9 10.198 -15.760 8.770 1.00 10.33 H new ATOM 0 HB2 HIS A 9 7.416 -15.071 7.771 1.00 52.31 H new ATOM 0 HB3 HIS A 9 8.745 -15.406 6.680 1.00 52.31 H new ATOM 0 HD2 HIS A 9 9.698 -18.122 6.775 1.00 64.43 H new ATOM 0 HE1 HIS A 9 6.284 -19.580 8.827 1.00 71.43 H new ATOM 0 HE2 HIS A 9 8.371 -20.237 7.525 1.00 61.14 H new ATOM 131 N HIS A 10 11.156 -13.575 8.154 1.00 55.43 N ATOM 132 CA HIS A 10 11.759 -12.305 7.765 1.00 62.13 C ATOM 133 C HIS A 10 12.893 -12.525 6.768 1.00 71.52 C ATOM 134 O HIS A 10 14.038 -12.154 7.022 1.00 13.23 O ATOM 135 CB HIS A 10 12.284 -11.567 8.997 1.00 50.04 C ATOM 136 CG HIS A 10 12.662 -10.143 8.726 1.00 61.31 C ATOM 137 ND1 HIS A 10 13.907 -9.627 9.016 1.00 24.13 N ATOM 138 CD2 HIS A 10 11.951 -9.126 8.186 1.00 2.33 C ATOM 139 CE1 HIS A 10 13.945 -8.353 8.669 1.00 64.22 C ATOM 140 NE2 HIS A 10 12.771 -8.024 8.162 1.00 71.20 N ATOM 0 H HIS A 10 11.823 -14.334 8.293 1.00 55.43 H new ATOM 0 HA HIS A 10 10.991 -11.698 7.287 1.00 62.13 H new ATOM 0 HB2 HIS A 10 11.522 -11.590 9.776 1.00 50.04 H new ATOM 0 HB3 HIS A 10 13.153 -12.098 9.385 1.00 50.04 H new ATOM 0 HD2 HIS A 10 10.929 -9.172 7.839 1.00 2.33 H new ATOM 0 HE1 HIS A 10 14.792 -7.693 8.781 1.00 64.22 H new ATOM 0 HE2 HIS A 10 12.515 -7.102 7.810 1.00 71.20 H new ATOM 148 N GLY A 11 12.566 -13.134 5.631 1.00 13.44 N ATOM 149 CA GLY A 11 13.568 -13.394 4.614 1.00 15.22 C ATOM 150 C GLY A 11 13.217 -14.586 3.747 1.00 73.24 C ATOM 151 O GLY A 11 12.045 -14.937 3.606 1.00 42.21 O ATOM 0 H GLY A 11 11.625 -13.451 5.397 1.00 13.44 H new ATOM 0 HA2 GLY A 11 13.680 -12.511 3.985 1.00 15.22 H new ATOM 0 HA3 GLY A 11 14.531 -13.568 5.093 1.00 15.22 H new ATOM 155 N SER A 12 14.234 -15.210 3.162 1.00 62.33 N ATOM 156 CA SER A 12 14.027 -16.367 2.298 1.00 31.14 C ATOM 157 C SER A 12 15.126 -17.404 2.507 1.00 61.40 C ATOM 158 O SER A 12 15.588 -18.035 1.556 1.00 2.43 O ATOM 159 CB SER A 12 13.990 -15.935 0.831 1.00 15.03 C ATOM 160 OG SER A 12 12.752 -15.324 0.511 1.00 34.10 O ATOM 0 H SER A 12 15.210 -14.934 3.270 1.00 62.33 H new ATOM 0 HA SER A 12 13.070 -16.819 2.560 1.00 31.14 H new ATOM 0 HB2 SER A 12 14.805 -15.239 0.633 1.00 15.03 H new ATOM 0 HB3 SER A 12 14.148 -16.802 0.189 1.00 15.03 H new ATOM 0 HG SER A 12 12.221 -15.214 1.327 1.00 34.10 H new ATOM 166 N MET A 13 15.540 -17.575 3.758 1.00 32.53 N ATOM 167 CA MET A 13 16.584 -18.537 4.093 1.00 71.01 C ATOM 168 C MET A 13 15.986 -19.909 4.386 1.00 33.21 C ATOM 169 O MET A 13 16.472 -20.927 3.893 1.00 55.14 O ATOM 170 CB MET A 13 17.388 -18.050 5.300 1.00 51.21 C ATOM 171 CG MET A 13 18.624 -18.888 5.585 1.00 13.42 C ATOM 172 SD MET A 13 20.103 -18.239 4.783 1.00 32.41 S ATOM 173 CE MET A 13 21.112 -19.716 4.689 1.00 31.25 C ATOM 0 H MET A 13 15.169 -17.060 4.557 1.00 32.53 H new ATOM 0 HA MET A 13 17.249 -18.626 3.234 1.00 71.01 H new ATOM 0 HB2 MET A 13 17.691 -17.017 5.132 1.00 51.21 H new ATOM 0 HB3 MET A 13 16.745 -18.054 6.180 1.00 51.21 H new ATOM 0 HG2 MET A 13 18.789 -18.931 6.662 1.00 13.42 H new ATOM 0 HG3 MET A 13 18.451 -19.910 5.248 1.00 13.42 H new ATOM 0 HE1 MET A 13 22.064 -19.477 4.215 1.00 31.25 H new ATOM 0 HE2 MET A 13 21.293 -20.098 5.694 1.00 31.25 H new ATOM 0 HE3 MET A 13 20.594 -20.474 4.101 1.00 31.25 H new ATOM 183 N SER A 14 14.929 -19.929 5.192 1.00 20.23 N ATOM 184 CA SER A 14 14.267 -21.177 5.554 1.00 23.23 C ATOM 185 C SER A 14 13.298 -21.615 4.460 1.00 21.45 C ATOM 186 O SER A 14 12.688 -20.785 3.788 1.00 5.51 O ATOM 187 CB SER A 14 13.520 -21.017 6.879 1.00 12.05 C ATOM 188 OG SER A 14 12.471 -20.071 6.762 1.00 4.25 O ATOM 0 H SER A 14 14.513 -19.095 5.607 1.00 20.23 H new ATOM 0 HA SER A 14 15.031 -21.946 5.667 1.00 23.23 H new ATOM 0 HB2 SER A 14 13.113 -21.979 7.189 1.00 12.05 H new ATOM 0 HB3 SER A 14 14.215 -20.700 7.656 1.00 12.05 H new ATOM 0 HG SER A 14 12.008 -19.988 7.622 1.00 4.25 H new ATOM 194 N GLU A 15 13.162 -22.927 4.289 1.00 4.33 N ATOM 195 CA GLU A 15 12.268 -23.476 3.277 1.00 42.33 C ATOM 196 C GLU A 15 11.126 -24.253 3.924 1.00 72.54 C ATOM 197 O GLU A 15 10.932 -24.198 5.138 1.00 24.23 O ATOM 198 CB GLU A 15 13.042 -24.386 2.320 1.00 1.44 C ATOM 199 CG GLU A 15 12.874 -24.014 0.857 1.00 41.23 C ATOM 200 CD GLU A 15 14.179 -23.595 0.208 1.00 52.52 C ATOM 201 OE1 GLU A 15 14.821 -22.654 0.721 1.00 14.01 O ATOM 202 OE2 GLU A 15 14.558 -24.206 -0.813 1.00 20.04 O ATOM 0 H GLU A 15 13.659 -23.628 4.838 1.00 4.33 H new ATOM 0 HA GLU A 15 11.845 -22.645 2.713 1.00 42.33 H new ATOM 0 HB2 GLU A 15 14.101 -24.351 2.576 1.00 1.44 H new ATOM 0 HB3 GLU A 15 12.713 -25.415 2.465 1.00 1.44 H new ATOM 0 HG2 GLU A 15 12.460 -24.864 0.315 1.00 41.23 H new ATOM 0 HG3 GLU A 15 12.153 -23.201 0.773 1.00 41.23 H new ATOM 209 N TYR A 16 10.372 -24.977 3.103 1.00 30.05 N ATOM 210 CA TYR A 16 9.247 -25.764 3.594 1.00 12.11 C ATOM 211 C TYR A 16 9.260 -27.166 2.994 1.00 71.41 C ATOM 212 O TYR A 16 10.149 -27.512 2.216 1.00 64.22 O ATOM 213 CB TYR A 16 7.926 -25.067 3.261 1.00 24.04 C ATOM 214 CG TYR A 16 7.909 -24.424 1.893 1.00 2.21 C ATOM 215 CD1 TYR A 16 7.561 -25.156 0.764 1.00 13.54 C ATOM 216 CD2 TYR A 16 8.242 -23.085 1.729 1.00 64.13 C ATOM 217 CE1 TYR A 16 7.544 -24.572 -0.488 1.00 22.41 C ATOM 218 CE2 TYR A 16 8.227 -22.493 0.481 1.00 62.34 C ATOM 219 CZ TYR A 16 7.878 -23.241 -0.625 1.00 33.04 C ATOM 220 OH TYR A 16 7.863 -22.656 -1.870 1.00 12.42 O ATOM 0 H TYR A 16 10.520 -25.035 2.095 1.00 30.05 H new ATOM 0 HA TYR A 16 9.342 -25.851 4.676 1.00 12.11 H new ATOM 0 HB2 TYR A 16 7.116 -25.794 3.322 1.00 24.04 H new ATOM 0 HB3 TYR A 16 7.727 -24.305 4.014 1.00 24.04 H new ATOM 0 HD1 TYR A 16 7.299 -26.199 0.867 1.00 13.54 H new ATOM 0 HD2 TYR A 16 8.517 -22.497 2.592 1.00 64.13 H new ATOM 0 HE1 TYR A 16 7.271 -25.155 -1.355 1.00 22.41 H new ATOM 0 HE2 TYR A 16 8.487 -21.450 0.371 1.00 62.34 H new ATOM 0 HH TYR A 16 8.122 -21.714 -1.792 1.00 12.42 H new ATOM 230 N ILE A 17 8.267 -27.969 3.361 1.00 32.21 N ATOM 231 CA ILE A 17 8.162 -29.333 2.858 1.00 22.33 C ATOM 232 C ILE A 17 6.894 -29.519 2.033 1.00 75.30 C ATOM 233 O ILE A 17 5.794 -29.200 2.486 1.00 41.24 O ATOM 234 CB ILE A 17 8.169 -30.359 4.007 1.00 13.13 C ATOM 235 CG1 ILE A 17 7.816 -31.751 3.479 1.00 24.14 C ATOM 236 CG2 ILE A 17 7.195 -29.938 5.098 1.00 23.22 C ATOM 237 CD1 ILE A 17 7.943 -32.842 4.520 1.00 41.22 C ATOM 0 H ILE A 17 7.524 -27.698 4.005 1.00 32.21 H new ATOM 0 HA ILE A 17 9.033 -29.503 2.224 1.00 22.33 H new ATOM 0 HB ILE A 17 9.171 -30.397 4.435 1.00 13.13 H new ATOM 0 HG12 ILE A 17 6.794 -31.739 3.100 1.00 24.14 H new ATOM 0 HG13 ILE A 17 8.466 -31.987 2.636 1.00 24.14 H new ATOM 0 HG21 ILE A 17 7.211 -30.673 5.903 1.00 23.22 H new ATOM 0 HG22 ILE A 17 7.487 -28.964 5.490 1.00 23.22 H new ATOM 0 HG23 ILE A 17 6.189 -29.876 4.683 1.00 23.22 H new ATOM 0 HD11 ILE A 17 7.677 -33.801 4.076 1.00 41.22 H new ATOM 0 HD12 ILE A 17 8.970 -32.882 4.882 1.00 41.22 H new ATOM 0 HD13 ILE A 17 7.273 -32.630 5.353 1.00 41.22 H new ATOM 249 N ARG A 18 7.054 -30.040 0.821 1.00 52.44 N ATOM 250 CA ARG A 18 5.921 -30.269 -0.068 1.00 61.11 C ATOM 251 C ARG A 18 5.746 -31.758 -0.352 1.00 61.04 C ATOM 252 O ARG A 18 6.501 -32.346 -1.127 1.00 3.02 O ATOM 253 CB ARG A 18 6.113 -29.507 -1.381 1.00 21.41 C ATOM 254 CG ARG A 18 5.228 -28.278 -1.507 1.00 73.50 C ATOM 255 CD ARG A 18 4.496 -28.253 -2.840 1.00 65.21 C ATOM 256 NE ARG A 18 5.347 -27.765 -3.922 1.00 25.00 N ATOM 257 CZ ARG A 18 4.988 -27.775 -5.201 1.00 3.52 C ATOM 258 NH1 ARG A 18 3.800 -28.244 -5.556 1.00 24.22 N ATOM 259 NH2 ARG A 18 5.818 -27.313 -6.128 1.00 2.03 N ATOM 0 H ARG A 18 7.957 -30.312 0.432 1.00 52.44 H new ATOM 0 HA ARG A 18 5.022 -29.903 0.428 1.00 61.11 H new ATOM 0 HB2 ARG A 18 7.156 -29.203 -1.466 1.00 21.41 H new ATOM 0 HB3 ARG A 18 5.908 -30.179 -2.214 1.00 21.41 H new ATOM 0 HG2 ARG A 18 4.504 -28.265 -0.693 1.00 73.50 H new ATOM 0 HG3 ARG A 18 5.836 -27.379 -1.408 1.00 73.50 H new ATOM 0 HD2 ARG A 18 4.145 -29.257 -3.080 1.00 65.21 H new ATOM 0 HD3 ARG A 18 3.614 -27.618 -2.758 1.00 65.21 H new ATOM 0 HE ARG A 18 6.267 -27.396 -3.683 1.00 25.00 H new ATOM 0 HH11 ARG A 18 3.159 -28.598 -4.846 1.00 24.22 H new ATOM 0 HH12 ARG A 18 3.527 -28.250 -6.539 1.00 24.22 H new ATOM 0 HH21 ARG A 18 6.732 -26.950 -5.859 1.00 2.03 H new ATOM 0 HH22 ARG A 18 5.542 -27.321 -7.110 1.00 2.03 H new ATOM 273 N VAL A 19 4.745 -32.362 0.280 1.00 61.31 N ATOM 274 CA VAL A 19 4.470 -33.782 0.095 1.00 62.22 C ATOM 275 C VAL A 19 2.984 -34.080 0.260 1.00 23.42 C ATOM 276 O VAL A 19 2.232 -33.268 0.800 1.00 43.11 O ATOM 277 CB VAL A 19 5.269 -34.643 1.091 1.00 23.11 C ATOM 278 CG1 VAL A 19 6.727 -34.737 0.667 1.00 40.33 C ATOM 279 CG2 VAL A 19 5.150 -34.078 2.498 1.00 4.53 C ATOM 0 H VAL A 19 4.111 -31.890 0.925 1.00 61.31 H new ATOM 0 HA VAL A 19 4.778 -34.034 -0.920 1.00 62.22 H new ATOM 0 HB VAL A 19 4.850 -35.649 1.091 1.00 23.11 H new ATOM 0 HG11 VAL A 19 7.275 -35.349 1.383 1.00 40.33 H new ATOM 0 HG12 VAL A 19 6.790 -35.191 -0.322 1.00 40.33 H new ATOM 0 HG13 VAL A 19 7.162 -33.738 0.636 1.00 40.33 H new ATOM 0 HG21 VAL A 19 5.721 -34.699 3.189 1.00 4.53 H new ATOM 0 HG22 VAL A 19 5.541 -33.061 2.516 1.00 4.53 H new ATOM 0 HG23 VAL A 19 4.102 -34.069 2.799 1.00 4.53 H new ATOM 289 N THR A 20 2.566 -35.252 -0.208 1.00 33.45 N ATOM 290 CA THR A 20 1.169 -35.659 -0.112 1.00 43.44 C ATOM 291 C THR A 20 1.049 -37.113 0.328 1.00 74.15 C ATOM 292 O THR A 20 1.898 -37.942 0.002 1.00 50.44 O ATOM 293 CB THR A 20 0.439 -35.478 -1.457 1.00 30.44 C ATOM 294 OG1 THR A 20 -0.710 -36.331 -1.508 1.00 70.40 O ATOM 295 CG2 THR A 20 1.364 -35.795 -2.622 1.00 3.21 C ATOM 0 H THR A 20 3.175 -35.936 -0.657 1.00 33.45 H new ATOM 0 HA THR A 20 0.702 -35.018 0.636 1.00 43.44 H new ATOM 0 HB THR A 20 0.124 -34.438 -1.537 1.00 30.44 H new ATOM 0 HG1 THR A 20 -0.627 -36.946 -2.266 1.00 70.40 H new ATOM 0 HG21 THR A 20 0.826 -35.660 -3.561 1.00 3.21 H new ATOM 0 HG22 THR A 20 2.224 -35.125 -2.597 1.00 3.21 H new ATOM 0 HG23 THR A 20 1.706 -36.827 -2.545 1.00 3.21 H new ATOM 303 N GLU A 21 -0.012 -37.416 1.069 1.00 74.31 N ATOM 304 CA GLU A 21 -0.243 -38.772 1.553 1.00 22.31 C ATOM 305 C GLU A 21 -0.802 -39.659 0.444 1.00 44.44 C ATOM 306 O GLU A 21 -0.355 -40.790 0.254 1.00 44.01 O ATOM 307 CB GLU A 21 -1.206 -38.756 2.742 1.00 70.41 C ATOM 308 CG GLU A 21 -1.072 -39.967 3.650 1.00 21.02 C ATOM 309 CD GLU A 21 -2.339 -40.798 3.706 1.00 12.31 C ATOM 310 OE1 GLU A 21 -2.816 -41.077 4.826 1.00 2.13 O ATOM 311 OE2 GLU A 21 -2.854 -41.169 2.631 1.00 51.32 O ATOM 0 H GLU A 21 -0.725 -36.741 1.347 1.00 74.31 H new ATOM 0 HA GLU A 21 0.714 -39.183 1.875 1.00 22.31 H new ATOM 0 HB2 GLU A 21 -1.033 -37.853 3.327 1.00 70.41 H new ATOM 0 HB3 GLU A 21 -2.229 -38.703 2.370 1.00 70.41 H new ATOM 0 HG2 GLU A 21 -0.249 -40.590 3.300 1.00 21.02 H new ATOM 0 HG3 GLU A 21 -0.815 -39.635 4.656 1.00 21.02 H new ATOM 318 N ASP A 22 -1.782 -39.136 -0.285 1.00 65.35 N ATOM 319 CA ASP A 22 -2.402 -39.879 -1.377 1.00 1.24 C ATOM 320 C ASP A 22 -1.835 -39.441 -2.723 1.00 51.34 C ATOM 321 O ASP A 22 -1.650 -38.250 -2.971 1.00 53.33 O ATOM 322 CB ASP A 22 -3.918 -39.681 -1.359 1.00 35.01 C ATOM 323 CG ASP A 22 -4.644 -40.828 -0.683 1.00 10.33 C ATOM 324 OD1 ASP A 22 -4.679 -41.933 -1.263 1.00 41.04 O ATOM 325 OD2 ASP A 22 -5.176 -40.620 0.428 1.00 72.05 O ATOM 0 H ASP A 22 -2.164 -38.201 -0.140 1.00 65.35 H new ATOM 0 HA ASP A 22 -2.180 -40.937 -1.237 1.00 1.24 H new ATOM 0 HB2 ASP A 22 -4.154 -38.751 -0.842 1.00 35.01 H new ATOM 0 HB3 ASP A 22 -4.280 -39.578 -2.382 1.00 35.01 H new ATOM 330 N GLU A 23 -1.560 -40.412 -3.588 1.00 75.05 N ATOM 331 CA GLU A 23 -1.013 -40.125 -4.909 1.00 63.51 C ATOM 332 C GLU A 23 -1.998 -39.311 -5.742 1.00 12.31 C ATOM 333 O GLU A 23 -1.601 -38.460 -6.537 1.00 24.23 O ATOM 334 CB GLU A 23 -0.668 -41.427 -5.636 1.00 62.00 C ATOM 335 CG GLU A 23 -1.817 -42.420 -5.685 1.00 52.54 C ATOM 336 CD GLU A 23 -2.236 -42.757 -7.103 1.00 52.22 C ATOM 337 OE1 GLU A 23 -1.821 -43.822 -7.606 1.00 42.34 O ATOM 338 OE2 GLU A 23 -2.979 -41.957 -7.709 1.00 42.43 O ATOM 0 H GLU A 23 -1.707 -41.403 -3.398 1.00 75.05 H new ATOM 0 HA GLU A 23 -0.104 -39.538 -4.777 1.00 63.51 H new ATOM 0 HB2 GLU A 23 -0.357 -41.193 -6.654 1.00 62.00 H new ATOM 0 HB3 GLU A 23 0.184 -41.894 -5.142 1.00 62.00 H new ATOM 0 HG2 GLU A 23 -1.524 -43.335 -5.169 1.00 52.54 H new ATOM 0 HG3 GLU A 23 -2.671 -42.009 -5.146 1.00 52.54 H new ATOM 345 N ASN A 24 -3.286 -39.579 -5.553 1.00 53.32 N ATOM 346 CA ASN A 24 -4.330 -38.872 -6.287 1.00 45.23 C ATOM 347 C ASN A 24 -4.456 -37.431 -5.801 1.00 61.23 C ATOM 348 O ASN A 24 -4.863 -36.545 -6.553 1.00 21.11 O ATOM 349 CB ASN A 24 -5.670 -39.594 -6.132 1.00 43.42 C ATOM 350 CG ASN A 24 -6.835 -38.765 -6.639 1.00 25.13 C ATOM 351 OD1 ASN A 24 -7.605 -38.212 -5.854 1.00 30.12 O ATOM 352 ND2 ASN A 24 -6.968 -38.676 -7.957 1.00 31.21 N ATOM 0 H ASN A 24 -3.632 -40.280 -4.898 1.00 53.32 H new ATOM 0 HA ASN A 24 -4.053 -38.858 -7.341 1.00 45.23 H new ATOM 0 HB2 ASN A 24 -5.636 -40.538 -6.675 1.00 43.42 H new ATOM 0 HB3 ASN A 24 -5.830 -39.836 -5.081 1.00 43.42 H new ATOM 0 HD21 ASN A 24 -7.733 -38.132 -8.357 1.00 31.21 H new ATOM 0 HD22 ASN A 24 -6.305 -39.151 -8.570 1.00 31.21 H new ATOM 359 N ASP A 25 -4.104 -37.205 -4.541 1.00 23.04 N ATOM 360 CA ASP A 25 -4.176 -35.872 -3.954 1.00 3.11 C ATOM 361 C ASP A 25 -2.938 -35.054 -4.309 1.00 24.41 C ATOM 362 O ASP A 25 -1.866 -35.608 -4.554 1.00 34.14 O ATOM 363 CB ASP A 25 -4.321 -35.967 -2.434 1.00 63.23 C ATOM 364 CG ASP A 25 -5.683 -36.483 -2.014 1.00 10.20 C ATOM 365 OD1 ASP A 25 -6.111 -36.175 -0.881 1.00 63.24 O ATOM 366 OD2 ASP A 25 -6.322 -37.193 -2.818 1.00 20.22 O ATOM 0 H ASP A 25 -3.766 -37.928 -3.906 1.00 23.04 H new ATOM 0 HA ASP A 25 -5.052 -35.369 -4.364 1.00 3.11 H new ATOM 0 HB2 ASP A 25 -3.548 -36.626 -2.039 1.00 63.23 H new ATOM 0 HB3 ASP A 25 -4.157 -34.983 -1.994 1.00 63.23 H new ATOM 371 N GLU A 26 -3.094 -33.734 -4.336 1.00 23.44 N ATOM 372 CA GLU A 26 -1.988 -32.842 -4.663 1.00 12.42 C ATOM 373 C GLU A 26 -1.026 -32.712 -3.485 1.00 74.51 C ATOM 374 O GLU A 26 -1.389 -32.929 -2.328 1.00 43.55 O ATOM 375 CB GLU A 26 -2.518 -31.461 -5.057 1.00 22.23 C ATOM 376 CG GLU A 26 -3.063 -31.400 -6.474 1.00 3.13 C ATOM 377 CD GLU A 26 -3.584 -30.024 -6.839 1.00 54.21 C ATOM 378 OE1 GLU A 26 -4.168 -29.883 -7.935 1.00 4.24 O ATOM 379 OE2 GLU A 26 -3.410 -29.088 -6.031 1.00 24.43 O ATOM 0 H GLU A 26 -3.974 -33.259 -4.136 1.00 23.44 H new ATOM 0 HA GLU A 26 -1.446 -33.271 -5.506 1.00 12.42 H new ATOM 0 HB2 GLU A 26 -3.305 -31.171 -4.361 1.00 22.23 H new ATOM 0 HB3 GLU A 26 -1.716 -30.730 -4.953 1.00 22.23 H new ATOM 0 HG2 GLU A 26 -2.278 -31.685 -7.174 1.00 3.13 H new ATOM 0 HG3 GLU A 26 -3.866 -32.129 -6.582 1.00 3.13 H new ATOM 386 N PRO A 27 0.230 -32.352 -3.785 1.00 23.10 N ATOM 387 CA PRO A 27 1.271 -32.186 -2.766 1.00 13.12 C ATOM 388 C PRO A 27 1.028 -30.967 -1.883 1.00 14.24 C ATOM 389 O PRO A 27 1.172 -29.828 -2.328 1.00 5.24 O ATOM 390 CB PRO A 27 2.548 -32.003 -3.589 1.00 61.53 C ATOM 391 CG PRO A 27 2.082 -31.463 -4.897 1.00 11.43 C ATOM 392 CD PRO A 27 0.732 -32.078 -5.142 1.00 62.51 C ATOM 0 HA PRO A 27 1.308 -33.032 -2.080 1.00 13.12 H new ATOM 0 HB2 PRO A 27 3.239 -31.316 -3.100 1.00 61.53 H new ATOM 0 HB3 PRO A 27 3.076 -32.948 -3.716 1.00 61.53 H new ATOM 0 HG2 PRO A 27 2.016 -30.375 -4.869 1.00 11.43 H new ATOM 0 HG3 PRO A 27 2.778 -31.720 -5.695 1.00 11.43 H new ATOM 0 HD2 PRO A 27 0.074 -31.399 -5.684 1.00 62.51 H new ATOM 0 HD3 PRO A 27 0.807 -32.990 -5.734 1.00 62.51 H new ATOM 400 N ILE A 28 0.658 -31.213 -0.630 1.00 62.44 N ATOM 401 CA ILE A 28 0.397 -30.135 0.315 1.00 71.01 C ATOM 402 C ILE A 28 1.697 -29.558 0.864 1.00 63.20 C ATOM 403 O ILE A 28 2.655 -30.289 1.115 1.00 75.53 O ATOM 404 CB ILE A 28 -0.475 -30.615 1.490 1.00 70.40 C ATOM 405 CG1 ILE A 28 -0.750 -29.460 2.455 1.00 74.32 C ATOM 406 CG2 ILE A 28 0.202 -31.769 2.215 1.00 3.43 C ATOM 407 CD1 ILE A 28 -1.556 -28.338 1.839 1.00 12.23 C ATOM 0 H ILE A 28 0.532 -32.150 -0.246 1.00 62.44 H new ATOM 0 HA ILE A 28 -0.139 -29.360 -0.232 1.00 71.01 H new ATOM 0 HB ILE A 28 -1.428 -30.968 1.096 1.00 70.40 H new ATOM 0 HG12 ILE A 28 -1.282 -29.843 3.326 1.00 74.32 H new ATOM 0 HG13 ILE A 28 0.200 -29.061 2.812 1.00 74.32 H new ATOM 0 HG21 ILE A 28 -0.426 -32.097 3.043 1.00 3.43 H new ATOM 0 HG22 ILE A 28 0.351 -32.597 1.522 1.00 3.43 H new ATOM 0 HG23 ILE A 28 1.167 -31.440 2.600 1.00 3.43 H new ATOM 0 HD11 ILE A 28 -1.713 -27.554 2.580 1.00 12.23 H new ATOM 0 HD12 ILE A 28 -1.016 -27.928 0.985 1.00 12.23 H new ATOM 0 HD13 ILE A 28 -2.521 -28.722 1.507 1.00 12.23 H new ATOM 419 N GLU A 29 1.723 -28.242 1.050 1.00 73.12 N ATOM 420 CA GLU A 29 2.906 -27.567 1.571 1.00 71.54 C ATOM 421 C GLU A 29 2.753 -27.272 3.060 1.00 75.31 C ATOM 422 O GLU A 29 1.711 -26.787 3.503 1.00 22.00 O ATOM 423 CB GLU A 29 3.157 -26.267 0.805 1.00 42.21 C ATOM 424 CG GLU A 29 2.772 -26.341 -0.663 1.00 50.51 C ATOM 425 CD GLU A 29 1.409 -25.735 -0.940 1.00 24.32 C ATOM 426 OE1 GLU A 29 0.451 -26.507 -1.153 1.00 54.31 O ATOM 427 OE2 GLU A 29 1.302 -24.491 -0.943 1.00 72.33 O ATOM 0 H GLU A 29 0.939 -27.622 0.848 1.00 73.12 H new ATOM 0 HA GLU A 29 3.760 -28.230 1.436 1.00 71.54 H new ATOM 0 HB2 GLU A 29 2.596 -25.462 1.279 1.00 42.21 H new ATOM 0 HB3 GLU A 29 4.213 -26.008 0.882 1.00 42.21 H new ATOM 0 HG2 GLU A 29 3.524 -25.823 -1.258 1.00 50.51 H new ATOM 0 HG3 GLU A 29 2.774 -27.383 -0.983 1.00 50.51 H new ATOM 434 N ILE A 30 3.796 -27.569 3.826 1.00 25.23 N ATOM 435 CA ILE A 30 3.778 -27.335 5.265 1.00 64.50 C ATOM 436 C ILE A 30 4.994 -26.528 5.706 1.00 3.20 C ATOM 437 O ILE A 30 6.087 -26.653 5.154 1.00 65.23 O ATOM 438 CB ILE A 30 3.744 -28.660 6.050 1.00 14.01 C ATOM 439 CG1 ILE A 30 3.858 -29.848 5.093 1.00 34.53 C ATOM 440 CG2 ILE A 30 2.467 -28.755 6.872 1.00 73.22 C ATOM 441 CD1 ILE A 30 4.029 -31.176 5.797 1.00 34.50 C ATOM 0 H ILE A 30 4.665 -27.972 3.475 1.00 25.23 H new ATOM 0 HA ILE A 30 2.872 -26.770 5.481 1.00 64.50 H new ATOM 0 HB ILE A 30 4.594 -28.684 6.731 1.00 14.01 H new ATOM 0 HG12 ILE A 30 2.965 -29.889 4.469 1.00 34.53 H new ATOM 0 HG13 ILE A 30 4.705 -29.687 4.426 1.00 34.53 H new ATOM 0 HG21 ILE A 30 2.457 -29.696 7.421 1.00 73.22 H new ATOM 0 HG22 ILE A 30 2.425 -27.924 7.576 1.00 73.22 H new ATOM 0 HG23 ILE A 30 1.603 -28.713 6.209 1.00 73.22 H new ATOM 0 HD11 ILE A 30 4.103 -31.973 5.057 1.00 34.50 H new ATOM 0 HD12 ILE A 30 4.937 -31.154 6.399 1.00 34.50 H new ATOM 0 HD13 ILE A 30 3.170 -31.359 6.443 1.00 34.50 H new ATOM 453 N PRO A 31 4.802 -25.679 6.727 1.00 64.31 N ATOM 454 CA PRO A 31 5.873 -24.836 7.267 1.00 13.21 C ATOM 455 C PRO A 31 6.930 -25.645 8.011 1.00 74.55 C ATOM 456 O PRO A 31 6.661 -26.209 9.071 1.00 33.32 O ATOM 457 CB PRO A 31 5.137 -23.903 8.232 1.00 34.33 C ATOM 458 CG PRO A 31 3.916 -24.658 8.631 1.00 31.45 C ATOM 459 CD PRO A 31 3.526 -25.478 7.433 1.00 72.41 C ATOM 0 HA PRO A 31 6.417 -24.315 6.479 1.00 13.21 H new ATOM 0 HB2 PRO A 31 5.754 -23.662 9.098 1.00 34.33 H new ATOM 0 HB3 PRO A 31 4.880 -22.959 7.751 1.00 34.33 H new ATOM 0 HG2 PRO A 31 4.116 -25.296 9.492 1.00 31.45 H new ATOM 0 HG3 PRO A 31 3.113 -23.978 8.917 1.00 31.45 H new ATOM 0 HD2 PRO A 31 3.075 -26.426 7.725 1.00 72.41 H new ATOM 0 HD3 PRO A 31 2.799 -24.958 6.809 1.00 72.41 H new ATOM 467 N SER A 32 8.132 -25.698 7.447 1.00 24.44 N ATOM 468 CA SER A 32 9.229 -26.442 8.056 1.00 62.22 C ATOM 469 C SER A 32 10.090 -25.529 8.924 1.00 54.24 C ATOM 470 O SER A 32 9.778 -24.352 9.102 1.00 3.22 O ATOM 471 CB SER A 32 10.091 -27.097 6.975 1.00 72.34 C ATOM 472 OG SER A 32 11.207 -26.286 6.651 1.00 30.31 O ATOM 0 H SER A 32 8.371 -25.235 6.570 1.00 24.44 H new ATOM 0 HA SER A 32 8.800 -27.218 8.690 1.00 62.22 H new ATOM 0 HB2 SER A 32 10.434 -28.072 7.321 1.00 72.34 H new ATOM 0 HB3 SER A 32 9.491 -27.269 6.081 1.00 72.34 H new ATOM 0 HG SER A 32 10.896 -25.414 6.329 1.00 30.31 H new ATOM 478 N GLU A 33 11.173 -26.081 9.460 1.00 22.22 N ATOM 479 CA GLU A 33 12.078 -25.317 10.310 1.00 4.41 C ATOM 480 C GLU A 33 13.170 -24.648 9.480 1.00 63.54 C ATOM 481 O GLU A 33 13.279 -24.881 8.275 1.00 10.25 O ATOM 482 CB GLU A 33 12.710 -26.225 11.367 1.00 1.22 C ATOM 483 CG GLU A 33 12.713 -25.624 12.763 1.00 51.02 C ATOM 484 CD GLU A 33 12.688 -26.679 13.852 1.00 2.41 C ATOM 485 OE1 GLU A 33 13.777 -27.074 14.319 1.00 0.43 O ATOM 486 OE2 GLU A 33 11.581 -27.109 14.237 1.00 61.00 O ATOM 0 H GLU A 33 11.445 -27.054 9.321 1.00 22.22 H new ATOM 0 HA GLU A 33 11.498 -24.541 10.809 1.00 4.41 H new ATOM 0 HB2 GLU A 33 12.171 -27.172 11.390 1.00 1.22 H new ATOM 0 HB3 GLU A 33 13.736 -26.449 11.075 1.00 1.22 H new ATOM 0 HG2 GLU A 33 13.600 -25.002 12.885 1.00 51.02 H new ATOM 0 HG3 GLU A 33 11.848 -24.971 12.875 1.00 51.02 H new ATOM 493 N ASP A 34 13.976 -23.818 10.132 1.00 41.44 N ATOM 494 CA ASP A 34 15.060 -23.115 9.455 1.00 63.43 C ATOM 495 C ASP A 34 16.201 -24.071 9.119 1.00 32.31 C ATOM 496 O ASP A 34 16.847 -23.941 8.079 1.00 22.54 O ATOM 497 CB ASP A 34 15.578 -21.970 10.327 1.00 72.43 C ATOM 498 CG ASP A 34 15.995 -22.437 11.708 1.00 73.24 C ATOM 499 OD1 ASP A 34 17.209 -22.413 12.001 1.00 34.10 O ATOM 500 OD2 ASP A 34 15.107 -22.826 12.495 1.00 1.21 O ATOM 0 H ASP A 34 13.900 -23.615 11.129 1.00 41.44 H new ATOM 0 HA ASP A 34 14.668 -22.704 8.525 1.00 63.43 H new ATOM 0 HB2 ASP A 34 16.428 -21.498 9.834 1.00 72.43 H new ATOM 0 HB3 ASP A 34 14.802 -21.210 10.422 1.00 72.43 H new ATOM 505 N ASP A 35 16.443 -25.030 10.006 1.00 12.13 N ATOM 506 CA ASP A 35 17.506 -26.008 9.805 1.00 55.04 C ATOM 507 C ASP A 35 17.229 -26.865 8.573 1.00 34.03 C ATOM 508 O ASP A 35 18.138 -27.472 8.010 1.00 21.50 O ATOM 509 CB ASP A 35 17.649 -26.899 11.040 1.00 42.34 C ATOM 510 CG ASP A 35 19.098 -27.134 11.418 1.00 22.31 C ATOM 511 OD1 ASP A 35 19.428 -27.004 12.616 1.00 74.11 O ATOM 512 OD2 ASP A 35 19.903 -27.450 10.517 1.00 53.42 O ATOM 0 H ASP A 35 15.917 -25.151 10.872 1.00 12.13 H new ATOM 0 HA ASP A 35 18.439 -25.467 9.647 1.00 55.04 H new ATOM 0 HB2 ASP A 35 17.127 -26.439 11.879 1.00 42.34 H new ATOM 0 HB3 ASP A 35 17.165 -27.857 10.851 1.00 42.34 H new ATOM 517 N GLY A 36 15.965 -26.910 8.161 1.00 2.24 N ATOM 518 CA GLY A 36 15.591 -27.696 7.001 1.00 71.15 C ATOM 519 C GLY A 36 14.627 -28.815 7.344 1.00 0.50 C ATOM 520 O GLY A 36 13.800 -29.207 6.521 1.00 54.14 O ATOM 0 H GLY A 36 15.194 -26.416 8.610 1.00 2.24 H new ATOM 0 HA2 GLY A 36 15.135 -27.044 6.256 1.00 71.15 H new ATOM 0 HA3 GLY A 36 16.488 -28.119 6.548 1.00 71.15 H new ATOM 524 N THR A 37 14.734 -29.332 8.564 1.00 13.11 N ATOM 525 CA THR A 37 13.867 -30.414 9.014 1.00 40.21 C ATOM 526 C THR A 37 12.436 -29.927 9.209 1.00 53.21 C ATOM 527 O THR A 37 12.097 -28.801 8.843 1.00 30.21 O ATOM 528 CB THR A 37 14.373 -31.027 10.333 1.00 32.23 C ATOM 529 OG1 THR A 37 14.236 -30.080 11.398 1.00 12.32 O ATOM 530 CG2 THR A 37 15.828 -31.452 10.210 1.00 43.14 C ATOM 0 H THR A 37 15.413 -29.019 9.258 1.00 13.11 H new ATOM 0 HA THR A 37 13.885 -31.178 8.236 1.00 40.21 H new ATOM 0 HB THR A 37 13.771 -31.909 10.552 1.00 32.23 H new ATOM 0 HG1 THR A 37 15.021 -30.129 11.982 1.00 12.32 H new ATOM 0 HG21 THR A 37 16.163 -31.882 11.154 1.00 43.14 H new ATOM 0 HG22 THR A 37 15.924 -32.195 9.419 1.00 43.14 H new ATOM 0 HG23 THR A 37 16.442 -30.584 9.969 1.00 43.14 H new ATOM 538 N VAL A 38 11.598 -30.781 9.788 1.00 25.34 N ATOM 539 CA VAL A 38 10.203 -30.437 10.034 1.00 42.01 C ATOM 540 C VAL A 38 9.760 -30.893 11.420 1.00 44.52 C ATOM 541 O VAL A 38 9.997 -32.035 11.815 1.00 0.10 O ATOM 542 CB VAL A 38 9.275 -31.067 8.978 1.00 45.32 C ATOM 543 CG1 VAL A 38 7.817 -30.883 9.370 1.00 4.20 C ATOM 544 CG2 VAL A 38 9.547 -30.468 7.606 1.00 12.30 C ATOM 0 H VAL A 38 11.862 -31.717 10.096 1.00 25.34 H new ATOM 0 HA VAL A 38 10.129 -29.351 9.971 1.00 42.01 H new ATOM 0 HB VAL A 38 9.480 -32.136 8.930 1.00 45.32 H new ATOM 0 HG11 VAL A 38 7.177 -31.334 8.612 1.00 4.20 H new ATOM 0 HG12 VAL A 38 7.635 -31.363 10.331 1.00 4.20 H new ATOM 0 HG13 VAL A 38 7.593 -29.819 9.448 1.00 4.20 H new ATOM 0 HG21 VAL A 38 8.883 -30.924 6.872 1.00 12.30 H new ATOM 0 HG22 VAL A 38 9.370 -29.393 7.637 1.00 12.30 H new ATOM 0 HG23 VAL A 38 10.583 -30.657 7.325 1.00 12.30 H new ATOM 554 N LEU A 39 9.116 -29.993 12.154 1.00 10.43 N ATOM 555 CA LEU A 39 8.638 -30.302 13.498 1.00 44.44 C ATOM 556 C LEU A 39 7.494 -31.309 13.450 1.00 22.24 C ATOM 557 O LEU A 39 6.576 -31.185 12.638 1.00 3.15 O ATOM 558 CB LEU A 39 8.180 -29.024 14.203 1.00 34.45 C ATOM 559 CG LEU A 39 8.745 -28.792 15.605 1.00 35.23 C ATOM 560 CD1 LEU A 39 8.278 -27.453 16.154 1.00 41.33 C ATOM 561 CD2 LEU A 39 8.338 -29.923 16.538 1.00 34.43 C ATOM 0 H LEU A 39 8.912 -29.043 11.842 1.00 10.43 H new ATOM 0 HA LEU A 39 9.462 -30.743 14.059 1.00 44.44 H new ATOM 0 HB2 LEU A 39 8.449 -28.172 13.579 1.00 34.45 H new ATOM 0 HB3 LEU A 39 7.092 -29.039 14.269 1.00 34.45 H new ATOM 0 HG LEU A 39 9.833 -28.775 15.539 1.00 35.23 H new ATOM 0 HD11 LEU A 39 8.690 -27.305 17.152 1.00 41.33 H new ATOM 0 HD12 LEU A 39 8.619 -26.652 15.498 1.00 41.33 H new ATOM 0 HD13 LEU A 39 7.189 -27.441 16.205 1.00 41.33 H new ATOM 0 HD21 LEU A 39 8.749 -29.741 17.531 1.00 34.43 H new ATOM 0 HD22 LEU A 39 7.251 -29.971 16.598 1.00 34.43 H new ATOM 0 HD23 LEU A 39 8.722 -30.868 16.154 1.00 34.43 H new ATOM 573 N LEU A 40 7.554 -32.306 14.327 1.00 51.41 N ATOM 574 CA LEU A 40 6.521 -33.334 14.387 1.00 23.33 C ATOM 575 C LEU A 40 5.131 -32.708 14.434 1.00 22.31 C ATOM 576 O LEU A 40 4.219 -33.145 13.733 1.00 71.15 O ATOM 577 CB LEU A 40 6.733 -34.226 15.612 1.00 0.01 C ATOM 578 CG LEU A 40 5.969 -35.551 15.618 1.00 3.40 C ATOM 579 CD1 LEU A 40 4.489 -35.312 15.869 1.00 15.03 C ATOM 580 CD2 LEU A 40 6.177 -36.292 14.305 1.00 13.32 C ATOM 0 H LEU A 40 8.306 -32.424 15.005 1.00 51.41 H new ATOM 0 HA LEU A 40 6.595 -33.942 13.485 1.00 23.33 H new ATOM 0 HB2 LEU A 40 7.798 -34.443 15.699 1.00 0.01 H new ATOM 0 HB3 LEU A 40 6.449 -33.662 16.501 1.00 0.01 H new ATOM 0 HG LEU A 40 6.358 -36.170 16.427 1.00 3.40 H new ATOM 0 HD11 LEU A 40 3.961 -36.266 15.870 1.00 15.03 H new ATOM 0 HD12 LEU A 40 4.358 -34.824 16.835 1.00 15.03 H new ATOM 0 HD13 LEU A 40 4.085 -34.675 15.083 1.00 15.03 H new ATOM 0 HD21 LEU A 40 5.626 -37.232 14.327 1.00 13.32 H new ATOM 0 HD22 LEU A 40 5.815 -35.679 13.480 1.00 13.32 H new ATOM 0 HD23 LEU A 40 7.239 -36.496 14.167 1.00 13.32 H new ATOM 592 N SER A 41 4.978 -31.681 15.264 1.00 72.41 N ATOM 593 CA SER A 41 3.698 -30.996 15.403 1.00 4.34 C ATOM 594 C SER A 41 3.154 -30.578 14.041 1.00 65.15 C ATOM 595 O SER A 41 1.945 -30.590 13.811 1.00 74.33 O ATOM 596 CB SER A 41 3.849 -29.768 16.303 1.00 4.40 C ATOM 597 OG SER A 41 3.338 -30.020 17.600 1.00 14.42 O ATOM 0 H SER A 41 5.724 -31.305 15.850 1.00 72.41 H new ATOM 0 HA SER A 41 2.991 -31.689 15.860 1.00 4.34 H new ATOM 0 HB2 SER A 41 4.901 -29.490 16.371 1.00 4.40 H new ATOM 0 HB3 SER A 41 3.324 -28.922 15.860 1.00 4.40 H new ATOM 0 HG SER A 41 3.448 -29.220 18.156 1.00 14.42 H new ATOM 603 N THR A 42 4.058 -30.208 13.138 1.00 73.12 N ATOM 604 CA THR A 42 3.670 -29.785 11.798 1.00 65.30 C ATOM 605 C THR A 42 3.183 -30.967 10.968 1.00 61.22 C ATOM 606 O THR A 42 2.250 -30.839 10.175 1.00 32.42 O ATOM 607 CB THR A 42 4.841 -29.105 11.063 1.00 12.55 C ATOM 608 OG1 THR A 42 5.451 -28.127 11.914 1.00 71.31 O ATOM 609 CG2 THR A 42 4.362 -28.440 9.781 1.00 21.43 C ATOM 0 H THR A 42 5.063 -30.193 13.311 1.00 73.12 H new ATOM 0 HA THR A 42 2.858 -29.068 11.916 1.00 65.30 H new ATOM 0 HB THR A 42 5.573 -29.870 10.805 1.00 12.55 H new ATOM 0 HG1 THR A 42 6.195 -27.700 11.441 1.00 71.31 H new ATOM 0 HG21 THR A 42 5.206 -27.967 9.279 1.00 21.43 H new ATOM 0 HG22 THR A 42 3.924 -29.191 9.123 1.00 21.43 H new ATOM 0 HG23 THR A 42 3.613 -27.686 10.021 1.00 21.43 H new ATOM 617 N VAL A 43 3.820 -32.119 11.155 1.00 2.20 N ATOM 618 CA VAL A 43 3.450 -33.325 10.424 1.00 11.13 C ATOM 619 C VAL A 43 2.045 -33.784 10.797 1.00 55.51 C ATOM 620 O VAL A 43 1.277 -34.228 9.943 1.00 52.15 O ATOM 621 CB VAL A 43 4.441 -34.472 10.696 1.00 62.13 C ATOM 622 CG1 VAL A 43 3.788 -35.818 10.421 1.00 25.31 C ATOM 623 CG2 VAL A 43 5.698 -34.299 9.857 1.00 44.11 C ATOM 0 H VAL A 43 4.595 -32.242 11.807 1.00 2.20 H new ATOM 0 HA VAL A 43 3.478 -33.074 9.364 1.00 11.13 H new ATOM 0 HB VAL A 43 4.726 -34.442 11.748 1.00 62.13 H new ATOM 0 HG11 VAL A 43 4.503 -36.617 10.619 1.00 25.31 H new ATOM 0 HG12 VAL A 43 2.920 -35.940 11.068 1.00 25.31 H new ATOM 0 HG13 VAL A 43 3.473 -35.863 9.379 1.00 25.31 H new ATOM 0 HG21 VAL A 43 6.388 -35.118 10.062 1.00 44.11 H new ATOM 0 HG22 VAL A 43 5.433 -34.303 8.800 1.00 44.11 H new ATOM 0 HG23 VAL A 43 6.175 -33.352 10.108 1.00 44.11 H new ATOM 633 N THR A 44 1.712 -33.673 12.079 1.00 2.44 N ATOM 634 CA THR A 44 0.399 -34.076 12.566 1.00 22.23 C ATOM 635 C THR A 44 -0.684 -33.117 12.086 1.00 0.14 C ATOM 636 O THR A 44 -1.843 -33.502 11.931 1.00 4.54 O ATOM 637 CB THR A 44 0.366 -34.141 14.105 1.00 63.40 C ATOM 638 OG1 THR A 44 0.595 -32.839 14.655 1.00 22.55 O ATOM 639 CG2 THR A 44 1.416 -35.110 14.628 1.00 32.51 C ATOM 0 H THR A 44 2.334 -33.307 12.799 1.00 2.44 H new ATOM 0 HA THR A 44 0.204 -35.070 12.163 1.00 22.23 H new ATOM 0 HB THR A 44 -0.618 -34.496 14.411 1.00 63.40 H new ATOM 0 HG1 THR A 44 1.070 -32.286 14.000 1.00 22.55 H new ATOM 0 HG21 THR A 44 1.374 -35.139 15.717 1.00 32.51 H new ATOM 0 HG22 THR A 44 1.222 -36.106 14.230 1.00 32.51 H new ATOM 0 HG23 THR A 44 2.405 -34.780 14.312 1.00 32.51 H new ATOM 647 N ALA A 45 -0.299 -31.867 11.852 1.00 11.41 N ATOM 648 CA ALA A 45 -1.238 -30.853 11.387 1.00 44.01 C ATOM 649 C ALA A 45 -2.058 -31.364 10.208 1.00 73.52 C ATOM 650 O ALA A 45 -3.282 -31.232 10.188 1.00 4.41 O ATOM 651 CB ALA A 45 -0.494 -29.582 11.003 1.00 33.02 C ATOM 0 H ALA A 45 0.656 -31.532 11.977 1.00 11.41 H new ATOM 0 HA ALA A 45 -1.925 -30.627 12.203 1.00 44.01 H new ATOM 0 HB1 ALA A 45 -1.207 -28.833 10.658 1.00 33.02 H new ATOM 0 HB2 ALA A 45 0.043 -29.199 11.871 1.00 33.02 H new ATOM 0 HB3 ALA A 45 0.215 -29.803 10.205 1.00 33.02 H new ATOM 657 N GLN A 46 -1.377 -31.948 9.227 1.00 22.55 N ATOM 658 CA GLN A 46 -2.044 -32.478 8.044 1.00 32.33 C ATOM 659 C GLN A 46 -2.115 -34.001 8.095 1.00 1.11 C ATOM 660 O GLN A 46 -3.096 -34.602 7.658 1.00 35.11 O ATOM 661 CB GLN A 46 -1.313 -32.032 6.777 1.00 5.13 C ATOM 662 CG GLN A 46 -0.639 -30.676 6.910 1.00 44.22 C ATOM 663 CD GLN A 46 0.106 -30.269 5.653 1.00 15.43 C ATOM 664 OE1 GLN A 46 -0.023 -29.139 5.180 1.00 33.12 O ATOM 665 NE2 GLN A 46 0.890 -31.189 5.105 1.00 3.13 N ATOM 0 H GLN A 46 -0.364 -32.066 9.228 1.00 22.55 H new ATOM 0 HA GLN A 46 -3.061 -32.086 8.025 1.00 32.33 H new ATOM 0 HB2 GLN A 46 -0.562 -32.778 6.519 1.00 5.13 H new ATOM 0 HB3 GLN A 46 -2.023 -31.996 5.951 1.00 5.13 H new ATOM 0 HG2 GLN A 46 -1.391 -29.922 7.142 1.00 44.22 H new ATOM 0 HG3 GLN A 46 0.057 -30.701 7.748 1.00 44.22 H new ATOM 0 HE21 GLN A 46 0.967 -32.113 5.531 1.00 3.13 H new ATOM 0 HE22 GLN A 46 1.416 -30.972 4.258 1.00 3.13 H new ATOM 674 N PHE A 47 -1.068 -34.619 8.631 1.00 62.41 N ATOM 675 CA PHE A 47 -1.010 -36.073 8.738 1.00 54.43 C ATOM 676 C PHE A 47 -1.053 -36.513 10.198 1.00 14.21 C ATOM 677 O PHE A 47 -0.040 -36.881 10.792 1.00 43.01 O ATOM 678 CB PHE A 47 0.259 -36.604 8.070 1.00 24.51 C ATOM 679 CG PHE A 47 0.671 -35.822 6.856 1.00 5.32 C ATOM 680 CD1 PHE A 47 -0.246 -35.529 5.860 1.00 62.21 C ATOM 681 CD2 PHE A 47 1.976 -35.379 6.711 1.00 4.24 C ATOM 682 CE1 PHE A 47 0.130 -34.809 4.742 1.00 51.33 C ATOM 683 CE2 PHE A 47 2.358 -34.658 5.596 1.00 52.42 C ATOM 684 CZ PHE A 47 1.434 -34.373 4.609 1.00 32.32 C ATOM 0 H PHE A 47 -0.248 -34.136 8.998 1.00 62.41 H new ATOM 0 HA PHE A 47 -1.880 -36.485 8.227 1.00 54.43 H new ATOM 0 HB2 PHE A 47 1.074 -36.591 8.794 1.00 24.51 H new ATOM 0 HB3 PHE A 47 0.102 -37.644 7.786 1.00 24.51 H new ATOM 0 HD1 PHE A 47 -1.267 -35.867 5.958 1.00 62.21 H new ATOM 0 HD2 PHE A 47 2.703 -35.600 7.479 1.00 4.24 H new ATOM 0 HE1 PHE A 47 -0.595 -34.587 3.973 1.00 51.33 H new ATOM 0 HE2 PHE A 47 3.378 -34.317 5.496 1.00 52.42 H new ATOM 0 HZ PHE A 47 1.731 -33.811 3.736 1.00 32.32 H new ATOM 694 N PRO A 48 -2.255 -36.474 10.792 1.00 13.11 N ATOM 695 CA PRO A 48 -2.461 -36.865 12.190 1.00 44.11 C ATOM 696 C PRO A 48 -2.295 -38.366 12.402 1.00 14.12 C ATOM 697 O PRO A 48 -2.890 -39.173 11.689 1.00 51.31 O ATOM 698 CB PRO A 48 -3.905 -36.441 12.468 1.00 21.33 C ATOM 699 CG PRO A 48 -4.566 -36.448 11.133 1.00 22.32 C ATOM 700 CD PRO A 48 -3.507 -36.046 10.145 1.00 43.43 C ATOM 0 HA PRO A 48 -1.732 -36.402 12.855 1.00 44.11 H new ATOM 0 HB2 PRO A 48 -4.395 -37.131 13.156 1.00 21.33 H new ATOM 0 HB3 PRO A 48 -3.946 -35.452 12.925 1.00 21.33 H new ATOM 0 HG2 PRO A 48 -4.963 -37.436 10.899 1.00 22.32 H new ATOM 0 HG3 PRO A 48 -5.406 -35.753 11.110 1.00 22.32 H new ATOM 0 HD2 PRO A 48 -3.649 -36.536 9.182 1.00 43.43 H new ATOM 0 HD3 PRO A 48 -3.517 -34.972 9.960 1.00 43.43 H new ATOM 708 N GLY A 49 -1.483 -38.734 13.389 1.00 53.33 N ATOM 709 CA GLY A 49 -1.255 -40.138 13.677 1.00 11.42 C ATOM 710 C GLY A 49 -0.044 -40.689 12.952 1.00 63.03 C ATOM 711 O GLY A 49 0.603 -41.621 13.429 1.00 51.10 O ATOM 0 H GLY A 49 -0.979 -38.085 13.994 1.00 53.33 H new ATOM 0 HA2 GLY A 49 -1.122 -40.269 14.751 1.00 11.42 H new ATOM 0 HA3 GLY A 49 -2.137 -40.712 13.393 1.00 11.42 H new ATOM 715 N ALA A 50 0.264 -40.113 11.794 1.00 75.30 N ATOM 716 CA ALA A 50 1.405 -40.553 11.002 1.00 43.35 C ATOM 717 C ALA A 50 2.672 -40.609 11.848 1.00 21.45 C ATOM 718 O ALA A 50 3.100 -39.600 12.410 1.00 21.43 O ATOM 719 CB ALA A 50 1.606 -39.630 9.809 1.00 44.23 C ATOM 0 H ALA A 50 -0.261 -39.341 11.384 1.00 75.30 H new ATOM 0 HA ALA A 50 1.197 -41.559 10.639 1.00 43.35 H new ATOM 0 HB1 ALA A 50 2.462 -39.970 9.226 1.00 44.23 H new ATOM 0 HB2 ALA A 50 0.713 -39.643 9.184 1.00 44.23 H new ATOM 0 HB3 ALA A 50 1.788 -38.615 10.161 1.00 44.23 H new ATOM 725 N CYS A 51 3.267 -41.794 11.936 1.00 13.13 N ATOM 726 CA CYS A 51 4.485 -41.982 12.717 1.00 75.13 C ATOM 727 C CYS A 51 5.723 -41.761 11.854 1.00 73.31 C ATOM 728 O CYS A 51 6.734 -41.241 12.323 1.00 22.51 O ATOM 729 CB CYS A 51 4.515 -43.386 13.323 1.00 15.34 C ATOM 730 SG CYS A 51 5.406 -43.493 14.893 1.00 13.50 S ATOM 0 H CYS A 51 2.926 -42.638 11.477 1.00 13.13 H new ATOM 0 HA CYS A 51 4.489 -41.247 13.522 1.00 75.13 H new ATOM 0 HB2 CYS A 51 3.491 -43.727 13.475 1.00 15.34 H new ATOM 0 HB3 CYS A 51 4.975 -44.069 12.609 1.00 15.34 H new ATOM 0 HG CYS A 51 5.375 -44.718 15.327 1.00 13.50 H new ATOM 736 N GLY A 52 5.636 -42.162 10.589 1.00 14.00 N ATOM 737 CA GLY A 52 6.756 -42.001 9.681 1.00 22.11 C ATOM 738 C GLY A 52 6.314 -41.749 8.253 1.00 20.52 C ATOM 739 O GLY A 52 5.258 -42.221 7.830 1.00 33.21 O ATOM 0 H GLY A 52 4.810 -42.595 10.177 1.00 14.00 H new ATOM 0 HA2 GLY A 52 7.376 -41.170 10.018 1.00 22.11 H new ATOM 0 HA3 GLY A 52 7.377 -42.896 9.713 1.00 22.11 H new ATOM 743 N LEU A 53 7.122 -41.003 7.508 1.00 31.14 N ATOM 744 CA LEU A 53 6.808 -40.688 6.119 1.00 14.42 C ATOM 745 C LEU A 53 7.828 -41.314 5.174 1.00 2.22 C ATOM 746 O LEU A 53 9.022 -41.357 5.474 1.00 75.02 O ATOM 747 CB LEU A 53 6.770 -39.172 5.916 1.00 41.13 C ATOM 748 CG LEU A 53 6.026 -38.370 6.984 1.00 44.50 C ATOM 749 CD1 LEU A 53 4.777 -39.110 7.435 1.00 62.41 C ATOM 750 CD2 LEU A 53 6.938 -38.087 8.169 1.00 11.52 C ATOM 0 H LEU A 53 8.000 -40.605 7.843 1.00 31.14 H new ATOM 0 HA LEU A 53 5.827 -41.104 5.891 1.00 14.42 H new ATOM 0 HB2 LEU A 53 7.796 -38.807 5.865 1.00 41.13 H new ATOM 0 HB3 LEU A 53 6.310 -38.966 4.950 1.00 41.13 H new ATOM 0 HG LEU A 53 5.721 -37.418 6.549 1.00 44.50 H new ATOM 0 HD11 LEU A 53 4.261 -38.523 8.195 1.00 62.41 H new ATOM 0 HD12 LEU A 53 4.115 -39.261 6.582 1.00 62.41 H new ATOM 0 HD13 LEU A 53 5.058 -40.077 7.852 1.00 62.41 H new ATOM 0 HD21 LEU A 53 6.392 -37.515 8.920 1.00 11.52 H new ATOM 0 HD22 LEU A 53 7.273 -39.029 8.603 1.00 11.52 H new ATOM 0 HD23 LEU A 53 7.802 -37.514 7.834 1.00 11.52 H new ATOM 762 N ARG A 54 7.351 -41.796 4.031 1.00 31.15 N ATOM 763 CA ARG A 54 8.222 -42.419 3.042 1.00 12.10 C ATOM 764 C ARG A 54 8.429 -41.498 1.843 1.00 12.23 C ATOM 765 O ARG A 54 7.720 -40.504 1.681 1.00 33.31 O ATOM 766 CB ARG A 54 7.631 -43.752 2.579 1.00 43.25 C ATOM 767 CG ARG A 54 8.665 -44.856 2.425 1.00 0.52 C ATOM 768 CD ARG A 54 8.620 -45.472 1.036 1.00 51.12 C ATOM 769 NE ARG A 54 8.765 -46.925 1.076 1.00 5.54 N ATOM 770 CZ ARG A 54 7.772 -47.755 1.374 1.00 1.32 C ATOM 771 NH1 ARG A 54 6.567 -47.278 1.655 1.00 23.14 N ATOM 772 NH2 ARG A 54 7.983 -49.065 1.391 1.00 51.45 N ATOM 0 H ARG A 54 6.366 -41.767 3.767 1.00 31.15 H new ATOM 0 HA ARG A 54 9.190 -42.601 3.510 1.00 12.10 H new ATOM 0 HB2 ARG A 54 6.874 -44.072 3.295 1.00 43.25 H new ATOM 0 HB3 ARG A 54 7.125 -43.604 1.625 1.00 43.25 H new ATOM 0 HG2 ARG A 54 9.660 -44.453 2.613 1.00 0.52 H new ATOM 0 HG3 ARG A 54 8.488 -45.629 3.173 1.00 0.52 H new ATOM 0 HD2 ARG A 54 7.676 -45.215 0.556 1.00 51.12 H new ATOM 0 HD3 ARG A 54 9.415 -45.045 0.424 1.00 51.12 H new ATOM 0 HE ARG A 54 9.679 -47.324 0.863 1.00 5.54 H new ATOM 0 HH11 ARG A 54 6.401 -46.272 1.643 1.00 23.14 H new ATOM 0 HH12 ARG A 54 5.806 -47.917 1.884 1.00 23.14 H new ATOM 0 HH21 ARG A 54 8.909 -49.435 1.175 1.00 51.45 H new ATOM 0 HH22 ARG A 54 7.220 -49.702 1.620 1.00 51.45 H new ATOM 786 N TYR A 55 9.405 -41.834 1.007 1.00 34.11 N ATOM 787 CA TYR A 55 9.707 -41.036 -0.175 1.00 40.10 C ATOM 788 C TYR A 55 9.195 -41.719 -1.439 1.00 60.24 C ATOM 789 O TYR A 55 9.485 -42.890 -1.687 1.00 5.32 O ATOM 790 CB TYR A 55 11.214 -40.799 -0.284 1.00 62.35 C ATOM 791 CG TYR A 55 11.610 -39.346 -0.154 1.00 1.14 C ATOM 792 CD1 TYR A 55 11.128 -38.392 -1.042 1.00 3.14 C ATOM 793 CD2 TYR A 55 12.466 -38.927 0.857 1.00 45.21 C ATOM 794 CE1 TYR A 55 11.488 -37.063 -0.926 1.00 53.15 C ATOM 795 CE2 TYR A 55 12.830 -37.600 0.981 1.00 40.14 C ATOM 796 CZ TYR A 55 12.338 -36.672 0.086 1.00 3.24 C ATOM 797 OH TYR A 55 12.699 -35.349 0.205 1.00 23.34 O ATOM 0 H TYR A 55 10.000 -42.654 1.126 1.00 34.11 H new ATOM 0 HA TYR A 55 9.201 -40.076 -0.073 1.00 40.10 H new ATOM 0 HB2 TYR A 55 11.721 -41.375 0.490 1.00 62.35 H new ATOM 0 HB3 TYR A 55 11.564 -41.178 -1.244 1.00 62.35 H new ATOM 0 HD1 TYR A 55 10.461 -38.694 -1.836 1.00 3.14 H new ATOM 0 HD2 TYR A 55 12.854 -39.651 1.558 1.00 45.21 H new ATOM 0 HE1 TYR A 55 11.105 -36.334 -1.625 1.00 53.15 H new ATOM 0 HE2 TYR A 55 13.495 -37.291 1.773 1.00 40.14 H new ATOM 0 HH TYR A 55 12.080 -34.793 -0.313 1.00 23.34 H new ATOM 807 N ARG A 56 8.432 -40.979 -2.236 1.00 54.24 N ATOM 808 CA ARG A 56 7.878 -41.512 -3.475 1.00 50.03 C ATOM 809 C ARG A 56 8.176 -40.582 -4.648 1.00 74.41 C ATOM 810 O ARG A 56 7.469 -39.600 -4.869 1.00 74.33 O ATOM 811 CB ARG A 56 6.367 -41.712 -3.339 1.00 43.54 C ATOM 812 CG ARG A 56 5.653 -41.877 -4.671 1.00 33.24 C ATOM 813 CD ARG A 56 6.293 -42.969 -5.514 1.00 54.43 C ATOM 814 NE ARG A 56 5.628 -43.123 -6.806 1.00 12.25 N ATOM 815 CZ ARG A 56 5.842 -44.146 -7.625 1.00 20.32 C ATOM 816 NH1 ARG A 56 6.698 -45.101 -7.288 1.00 62.14 N ATOM 817 NH2 ARG A 56 5.199 -44.216 -8.783 1.00 74.41 N ATOM 0 H ARG A 56 8.183 -40.008 -2.046 1.00 54.24 H new ATOM 0 HA ARG A 56 8.349 -42.476 -3.669 1.00 50.03 H new ATOM 0 HB2 ARG A 56 6.179 -42.592 -2.724 1.00 43.54 H new ATOM 0 HB3 ARG A 56 5.942 -40.858 -2.812 1.00 43.54 H new ATOM 0 HG2 ARG A 56 4.605 -42.118 -4.496 1.00 33.24 H new ATOM 0 HG3 ARG A 56 5.676 -40.934 -5.217 1.00 33.24 H new ATOM 0 HD2 ARG A 56 7.345 -42.734 -5.674 1.00 54.43 H new ATOM 0 HD3 ARG A 56 6.256 -43.914 -4.972 1.00 54.43 H new ATOM 0 HE ARG A 56 4.963 -42.405 -7.095 1.00 12.25 H new ATOM 0 HH11 ARG A 56 7.194 -45.051 -6.398 1.00 62.14 H new ATOM 0 HH12 ARG A 56 6.861 -45.886 -7.919 1.00 62.14 H new ATOM 0 HH21 ARG A 56 4.539 -43.483 -9.045 1.00 74.41 H new ATOM 0 HH22 ARG A 56 5.364 -45.002 -9.411 1.00 74.41 H new ATOM 831 N ASN A 57 9.227 -40.900 -5.396 1.00 43.11 N ATOM 832 CA ASN A 57 9.619 -40.093 -6.546 1.00 3.33 C ATOM 833 C ASN A 57 9.379 -40.849 -7.849 1.00 3.02 C ATOM 834 O ASN A 57 10.021 -41.860 -8.136 1.00 54.10 O ATOM 835 CB ASN A 57 11.093 -39.695 -6.438 1.00 31.44 C ATOM 836 CG ASN A 57 11.310 -38.532 -5.489 1.00 61.30 C ATOM 837 OD1 ASN A 57 11.303 -37.319 -6.029 1.00 11.41 O flip ATOM 838 ND2 ASN A 57 11.482 -38.723 -4.285 1.00 71.23 N flip ATOM 0 H ASN A 57 9.823 -41.711 -5.227 1.00 43.11 H new ATOM 0 HA ASN A 57 9.006 -39.192 -6.552 1.00 3.33 H new ATOM 0 HB2 ASN A 57 11.674 -40.552 -6.097 1.00 31.44 H new ATOM 0 HB3 ASN A 57 11.468 -39.429 -7.426 1.00 31.44 H new ATOM 0 HD21 ASN A 57 11.480 -39.673 -3.914 1.00 71.23 H new ATOM 0 HD22 ASN A 57 11.627 -37.931 -3.659 1.00 71.23 H new ATOM 845 N PRO A 58 8.434 -40.349 -8.658 1.00 14.43 N ATOM 846 CA PRO A 58 8.088 -40.960 -9.944 1.00 75.42 C ATOM 847 C PRO A 58 9.196 -40.800 -10.979 1.00 71.31 C ATOM 848 O PRO A 58 9.398 -41.670 -11.827 1.00 1.04 O ATOM 849 CB PRO A 58 6.836 -40.192 -10.377 1.00 64.12 C ATOM 850 CG PRO A 58 6.944 -38.875 -9.689 1.00 52.04 C ATOM 851 CD PRO A 58 7.630 -39.147 -8.379 1.00 54.21 C ATOM 0 HA PRO A 58 7.935 -42.036 -9.856 1.00 75.42 H new ATOM 0 HB2 PRO A 58 6.800 -40.071 -11.460 1.00 64.12 H new ATOM 0 HB3 PRO A 58 5.927 -40.718 -10.084 1.00 64.12 H new ATOM 0 HG2 PRO A 58 7.516 -38.167 -10.289 1.00 52.04 H new ATOM 0 HG3 PRO A 58 5.959 -38.436 -9.530 1.00 52.04 H new ATOM 0 HD2 PRO A 58 8.254 -38.309 -8.071 1.00 54.21 H new ATOM 0 HD3 PRO A 58 6.912 -39.321 -7.578 1.00 54.21 H new ATOM 859 N VAL A 59 9.912 -39.683 -10.904 1.00 42.13 N ATOM 860 CA VAL A 59 11.002 -39.410 -11.834 1.00 14.41 C ATOM 861 C VAL A 59 12.309 -40.020 -11.342 1.00 45.34 C ATOM 862 O VAL A 59 13.173 -40.388 -12.139 1.00 74.00 O ATOM 863 CB VAL A 59 11.199 -37.896 -12.038 1.00 12.30 C ATOM 864 CG1 VAL A 59 9.959 -37.275 -12.663 1.00 71.12 C ATOM 865 CG2 VAL A 59 11.535 -37.220 -10.717 1.00 43.13 C ATOM 0 H VAL A 59 9.757 -38.952 -10.209 1.00 42.13 H new ATOM 0 HA VAL A 59 10.728 -39.865 -12.786 1.00 14.41 H new ATOM 0 HB VAL A 59 12.035 -37.745 -12.721 1.00 12.30 H new ATOM 0 HG11 VAL A 59 10.117 -36.205 -12.799 1.00 71.12 H new ATOM 0 HG12 VAL A 59 9.767 -37.740 -13.630 1.00 71.12 H new ATOM 0 HG13 VAL A 59 9.103 -37.435 -12.008 1.00 71.12 H new ATOM 0 HG21 VAL A 59 11.671 -36.151 -10.880 1.00 43.13 H new ATOM 0 HG22 VAL A 59 10.721 -37.379 -10.010 1.00 43.13 H new ATOM 0 HG23 VAL A 59 12.454 -37.645 -10.314 1.00 43.13 H new ATOM 875 N SER A 60 12.449 -40.124 -10.025 1.00 21.03 N ATOM 876 CA SER A 60 13.654 -40.687 -9.426 1.00 13.22 C ATOM 877 C SER A 60 13.573 -42.209 -9.372 1.00 21.41 C ATOM 878 O SER A 60 14.590 -42.898 -9.453 1.00 10.15 O ATOM 879 CB SER A 60 13.859 -40.126 -8.017 1.00 54.54 C ATOM 880 OG SER A 60 15.229 -40.137 -7.658 1.00 44.24 O ATOM 0 H SER A 60 11.743 -39.826 -9.352 1.00 21.03 H new ATOM 0 HA SER A 60 14.504 -40.407 -10.048 1.00 13.22 H new ATOM 0 HB2 SER A 60 13.475 -39.107 -7.969 1.00 54.54 H new ATOM 0 HB3 SER A 60 13.287 -40.716 -7.301 1.00 54.54 H new ATOM 0 HG SER A 60 15.333 -39.772 -6.754 1.00 44.24 H new ATOM 886 N GLN A 61 12.357 -42.727 -9.235 1.00 54.11 N ATOM 887 CA GLN A 61 12.143 -44.168 -9.170 1.00 12.34 C ATOM 888 C GLN A 61 13.105 -44.816 -8.180 1.00 32.43 C ATOM 889 O GLN A 61 13.553 -45.945 -8.384 1.00 22.11 O ATOM 890 CB GLN A 61 12.318 -44.794 -10.554 1.00 72.01 C ATOM 891 CG GLN A 61 11.579 -44.051 -11.656 1.00 21.33 C ATOM 892 CD GLN A 61 11.709 -44.729 -13.005 1.00 73.43 C ATOM 893 OE1 GLN A 61 11.129 -45.791 -13.238 1.00 10.40 O ATOM 894 NE2 GLN A 61 12.472 -44.119 -13.904 1.00 40.11 N ATOM 0 H GLN A 61 11.505 -42.171 -9.167 1.00 54.11 H new ATOM 0 HA GLN A 61 11.124 -44.344 -8.827 1.00 12.34 H new ATOM 0 HB2 GLN A 61 13.380 -44.826 -10.798 1.00 72.01 H new ATOM 0 HB3 GLN A 61 11.967 -45.825 -10.524 1.00 72.01 H new ATOM 0 HG2 GLN A 61 10.524 -43.974 -11.393 1.00 21.33 H new ATOM 0 HG3 GLN A 61 11.965 -43.034 -11.726 1.00 21.33 H new ATOM 0 HE21 GLN A 61 12.934 -43.241 -13.669 1.00 40.11 H new ATOM 0 HE22 GLN A 61 12.596 -44.529 -14.830 1.00 40.11 H new ATOM 903 N CYS A 62 13.418 -44.096 -7.108 1.00 72.24 N ATOM 904 CA CYS A 62 14.328 -44.601 -6.087 1.00 22.42 C ATOM 905 C CYS A 62 13.555 -45.144 -4.890 1.00 34.33 C ATOM 906 O CYS A 62 12.335 -45.299 -4.945 1.00 10.33 O ATOM 907 CB CYS A 62 15.283 -43.496 -5.634 1.00 22.24 C ATOM 908 SG CYS A 62 17.024 -43.984 -5.621 1.00 62.24 S ATOM 0 H CYS A 62 13.055 -43.161 -6.924 1.00 72.24 H new ATOM 0 HA CYS A 62 14.907 -45.416 -6.522 1.00 22.42 H new ATOM 0 HB2 CYS A 62 15.163 -42.635 -6.291 1.00 22.24 H new ATOM 0 HB3 CYS A 62 15.000 -43.174 -4.632 1.00 22.24 H new ATOM 0 HG CYS A 62 17.753 -42.982 -5.226 1.00 62.24 H new ATOM 914 N MET A 63 14.273 -45.434 -3.810 1.00 12.34 N ATOM 915 CA MET A 63 13.653 -45.960 -2.599 1.00 23.30 C ATOM 916 C MET A 63 14.043 -45.127 -1.382 1.00 63.12 C ATOM 917 O MET A 63 14.241 -45.661 -0.291 1.00 3.24 O ATOM 918 CB MET A 63 14.061 -47.419 -2.385 1.00 23.13 C ATOM 919 CG MET A 63 13.080 -48.206 -1.531 1.00 53.41 C ATOM 920 SD MET A 63 13.886 -49.476 -0.537 1.00 40.42 S ATOM 921 CE MET A 63 14.078 -48.614 1.022 1.00 62.45 C ATOM 0 H MET A 63 15.284 -45.314 -3.748 1.00 12.34 H new ATOM 0 HA MET A 63 12.571 -45.906 -2.722 1.00 23.30 H new ATOM 0 HB2 MET A 63 14.158 -47.907 -3.355 1.00 23.13 H new ATOM 0 HB3 MET A 63 15.044 -47.448 -1.914 1.00 23.13 H new ATOM 0 HG2 MET A 63 12.546 -47.520 -0.873 1.00 53.41 H new ATOM 0 HG3 MET A 63 12.336 -48.673 -2.176 1.00 53.41 H new ATOM 0 HE1 MET A 63 14.380 -49.322 1.794 1.00 62.45 H new ATOM 0 HE2 MET A 63 14.840 -47.842 0.919 1.00 62.45 H new ATOM 0 HE3 MET A 63 13.131 -48.154 1.302 1.00 62.45 H new ATOM 931 N ARG A 64 14.152 -43.817 -1.578 1.00 22.12 N ATOM 932 CA ARG A 64 14.520 -42.911 -0.496 1.00 60.24 C ATOM 933 C ARG A 64 13.522 -43.004 0.654 1.00 21.52 C ATOM 934 O ARG A 64 12.619 -43.840 0.640 1.00 2.11 O ATOM 935 CB ARG A 64 14.590 -41.472 -1.010 1.00 14.23 C ATOM 936 CG ARG A 64 15.989 -40.879 -0.974 1.00 31.32 C ATOM 937 CD ARG A 64 16.207 -40.040 0.276 1.00 73.25 C ATOM 938 NE ARG A 64 17.516 -39.394 0.279 1.00 24.04 N ATOM 939 CZ ARG A 64 18.637 -40.006 0.645 1.00 31.45 C ATOM 940 NH1 ARG A 64 18.607 -41.273 1.035 1.00 60.52 N ATOM 941 NH2 ARG A 64 19.791 -39.351 0.622 1.00 35.21 N ATOM 0 H ARG A 64 13.991 -43.359 -2.475 1.00 22.12 H new ATOM 0 HA ARG A 64 15.502 -43.206 -0.126 1.00 60.24 H new ATOM 0 HB2 ARG A 64 14.219 -41.443 -2.034 1.00 14.23 H new ATOM 0 HB3 ARG A 64 13.925 -40.849 -0.412 1.00 14.23 H new ATOM 0 HG2 ARG A 64 16.726 -41.681 -1.008 1.00 31.32 H new ATOM 0 HG3 ARG A 64 16.147 -40.263 -1.859 1.00 31.32 H new ATOM 0 HD2 ARG A 64 15.428 -39.281 0.344 1.00 73.25 H new ATOM 0 HD3 ARG A 64 16.113 -40.673 1.158 1.00 73.25 H new ATOM 0 HE ARG A 64 17.573 -38.419 -0.016 1.00 24.04 H new ATOM 0 HH11 ARG A 64 17.722 -41.780 1.054 1.00 60.52 H new ATOM 0 HH12 ARG A 64 19.469 -41.741 1.316 1.00 60.52 H new ATOM 0 HH21 ARG A 64 19.818 -38.376 0.323 1.00 35.21 H new ATOM 0 HH22 ARG A 64 20.651 -39.822 0.903 1.00 35.21 H new ATOM 955 N GLY A 65 13.693 -42.140 1.650 1.00 34.45 N ATOM 956 CA GLY A 65 12.800 -42.143 2.795 1.00 5.51 C ATOM 957 C GLY A 65 13.085 -41.003 3.754 1.00 72.42 C ATOM 958 O GLY A 65 14.235 -40.766 4.123 1.00 12.54 O ATOM 0 H GLY A 65 14.433 -41.439 1.685 1.00 34.45 H new ATOM 0 HA2 GLY A 65 11.769 -42.073 2.448 1.00 5.51 H new ATOM 0 HA3 GLY A 65 12.895 -43.091 3.324 1.00 5.51 H new ATOM 962 N VAL A 66 12.035 -40.295 4.157 1.00 34.32 N ATOM 963 CA VAL A 66 12.177 -39.174 5.078 1.00 33.14 C ATOM 964 C VAL A 66 12.651 -39.645 6.449 1.00 73.44 C ATOM 965 O VAL A 66 11.965 -40.414 7.123 1.00 2.44 O ATOM 966 CB VAL A 66 10.849 -38.410 5.241 1.00 4.14 C ATOM 967 CG1 VAL A 66 10.987 -37.319 6.293 1.00 75.42 C ATOM 968 CG2 VAL A 66 10.405 -37.825 3.909 1.00 11.14 C ATOM 0 H VAL A 66 11.076 -40.478 3.860 1.00 34.32 H new ATOM 0 HA VAL A 66 12.923 -38.505 4.649 1.00 33.14 H new ATOM 0 HB VAL A 66 10.085 -39.111 5.577 1.00 4.14 H new ATOM 0 HG11 VAL A 66 10.040 -36.790 6.395 1.00 75.42 H new ATOM 0 HG12 VAL A 66 11.257 -37.768 7.249 1.00 75.42 H new ATOM 0 HG13 VAL A 66 11.764 -36.617 5.990 1.00 75.42 H new ATOM 0 HG21 VAL A 66 9.465 -37.289 4.042 1.00 11.14 H new ATOM 0 HG22 VAL A 66 11.167 -37.137 3.542 1.00 11.14 H new ATOM 0 HG23 VAL A 66 10.264 -38.629 3.187 1.00 11.14 H new ATOM 978 N ARG A 67 13.827 -39.179 6.854 1.00 65.40 N ATOM 979 CA ARG A 67 14.394 -39.554 8.144 1.00 1.21 C ATOM 980 C ARG A 67 13.619 -38.905 9.287 1.00 3.51 C ATOM 981 O ARG A 67 13.200 -37.750 9.191 1.00 64.24 O ATOM 982 CB ARG A 67 15.867 -39.146 8.216 1.00 71.22 C ATOM 983 CG ARG A 67 16.499 -39.384 9.577 1.00 21.53 C ATOM 984 CD ARG A 67 16.594 -40.868 9.895 1.00 20.54 C ATOM 985 NE ARG A 67 16.300 -41.147 11.299 1.00 62.35 N ATOM 986 CZ ARG A 67 16.641 -42.276 11.910 1.00 30.05 C ATOM 987 NH1 ARG A 67 17.284 -43.226 11.246 1.00 25.02 N ATOM 988 NH2 ARG A 67 16.339 -42.456 13.190 1.00 55.01 N ATOM 0 H ARG A 67 14.406 -38.541 6.308 1.00 65.40 H new ATOM 0 HA ARG A 67 14.319 -40.637 8.245 1.00 1.21 H new ATOM 0 HB2 ARG A 67 16.426 -39.701 7.463 1.00 71.22 H new ATOM 0 HB3 ARG A 67 15.955 -38.089 7.964 1.00 71.22 H new ATOM 0 HG2 ARG A 67 17.495 -38.941 9.599 1.00 21.53 H new ATOM 0 HG3 ARG A 67 15.910 -38.883 10.345 1.00 21.53 H new ATOM 0 HD2 ARG A 67 15.898 -41.420 9.262 1.00 20.54 H new ATOM 0 HD3 ARG A 67 17.595 -41.227 9.656 1.00 20.54 H new ATOM 0 HE ARG A 67 15.806 -40.436 11.839 1.00 62.35 H new ATOM 0 HH11 ARG A 67 17.519 -43.091 10.263 1.00 25.02 H new ATOM 0 HH12 ARG A 67 17.544 -44.092 11.719 1.00 25.02 H new ATOM 0 HH21 ARG A 67 15.845 -41.727 13.705 1.00 55.01 H new ATOM 0 HH22 ARG A 67 16.601 -43.323 13.659 1.00 55.01 H new ATOM 1002 N LEU A 68 13.432 -39.653 10.368 1.00 31.51 N ATOM 1003 CA LEU A 68 12.707 -39.152 11.530 1.00 11.43 C ATOM 1004 C LEU A 68 13.527 -39.332 12.804 1.00 63.15 C ATOM 1005 O LEU A 68 13.864 -40.453 13.184 1.00 30.40 O ATOM 1006 CB LEU A 68 11.364 -39.872 11.669 1.00 45.33 C ATOM 1007 CG LEU A 68 10.557 -39.551 12.927 1.00 42.30 C ATOM 1008 CD1 LEU A 68 11.007 -40.425 14.087 1.00 2.43 C ATOM 1009 CD2 LEU A 68 10.689 -38.077 13.284 1.00 23.30 C ATOM 0 H LEU A 68 13.773 -40.610 10.464 1.00 31.51 H new ATOM 0 HA LEU A 68 12.528 -38.087 11.383 1.00 11.43 H new ATOM 0 HB2 LEU A 68 10.754 -39.631 10.799 1.00 45.33 H new ATOM 0 HB3 LEU A 68 11.546 -40.946 11.643 1.00 45.33 H new ATOM 0 HG LEU A 68 9.507 -39.763 12.726 1.00 42.30 H new ATOM 0 HD11 LEU A 68 10.422 -40.182 14.974 1.00 2.43 H new ATOM 0 HD12 LEU A 68 10.860 -41.474 13.831 1.00 2.43 H new ATOM 0 HD13 LEU A 68 12.063 -40.246 14.289 1.00 2.43 H new ATOM 0 HD21 LEU A 68 10.108 -37.867 14.182 1.00 23.30 H new ATOM 0 HD22 LEU A 68 11.737 -37.839 13.466 1.00 23.30 H new ATOM 0 HD23 LEU A 68 10.317 -37.468 12.460 1.00 23.30 H new ATOM 1021 N VAL A 69 13.844 -38.220 13.460 1.00 64.33 N ATOM 1022 CA VAL A 69 14.622 -38.256 14.692 1.00 3.43 C ATOM 1023 C VAL A 69 14.031 -37.322 15.742 1.00 2.42 C ATOM 1024 O VAL A 69 13.847 -36.131 15.494 1.00 55.35 O ATOM 1025 CB VAL A 69 16.091 -37.864 14.441 1.00 55.22 C ATOM 1026 CG1 VAL A 69 16.170 -36.549 13.680 1.00 34.00 C ATOM 1027 CG2 VAL A 69 16.851 -37.775 15.756 1.00 75.04 C ATOM 0 H VAL A 69 13.574 -37.284 13.159 1.00 64.33 H new ATOM 0 HA VAL A 69 14.585 -39.282 15.059 1.00 3.43 H new ATOM 0 HB VAL A 69 16.556 -38.638 13.831 1.00 55.22 H new ATOM 0 HG11 VAL A 69 17.215 -36.288 13.512 1.00 34.00 H new ATOM 0 HG12 VAL A 69 15.663 -36.653 12.721 1.00 34.00 H new ATOM 0 HG13 VAL A 69 15.689 -35.763 14.261 1.00 34.00 H new ATOM 0 HG21 VAL A 69 17.887 -37.497 15.560 1.00 75.04 H new ATOM 0 HG22 VAL A 69 16.388 -37.022 16.394 1.00 75.04 H new ATOM 0 HG23 VAL A 69 16.824 -38.742 16.258 1.00 75.04 H new ATOM 1037 N GLU A 70 13.737 -37.871 16.917 1.00 51.34 N ATOM 1038 CA GLU A 70 13.166 -37.086 18.005 1.00 40.53 C ATOM 1039 C GLU A 70 11.856 -36.431 17.574 1.00 23.24 C ATOM 1040 O GLU A 70 11.468 -35.389 18.101 1.00 60.32 O ATOM 1041 CB GLU A 70 14.157 -36.014 18.465 1.00 60.33 C ATOM 1042 CG GLU A 70 15.522 -36.568 18.837 1.00 43.33 C ATOM 1043 CD GLU A 70 15.816 -36.449 20.320 1.00 51.54 C ATOM 1044 OE1 GLU A 70 15.898 -37.497 20.994 1.00 43.25 O ATOM 1045 OE2 GLU A 70 15.963 -35.308 20.806 1.00 31.01 O ATOM 0 H GLU A 70 13.885 -38.855 17.139 1.00 51.34 H new ATOM 0 HA GLU A 70 12.959 -37.761 18.836 1.00 40.53 H new ATOM 0 HB2 GLU A 70 14.277 -35.277 17.671 1.00 60.33 H new ATOM 0 HB3 GLU A 70 13.740 -35.490 19.325 1.00 60.33 H new ATOM 0 HG2 GLU A 70 15.577 -37.616 18.543 1.00 43.33 H new ATOM 0 HG3 GLU A 70 16.291 -36.038 18.274 1.00 43.33 H new ATOM 1052 N GLY A 71 11.180 -37.051 16.612 1.00 33.33 N ATOM 1053 CA GLY A 71 9.922 -36.515 16.126 1.00 34.44 C ATOM 1054 C GLY A 71 10.109 -35.551 14.972 1.00 5.22 C ATOM 1055 O GLY A 71 9.214 -35.381 14.145 1.00 54.12 O ATOM 0 H GLY A 71 11.481 -37.915 16.161 1.00 33.33 H new ATOM 0 HA2 GLY A 71 9.279 -37.336 15.809 1.00 34.44 H new ATOM 0 HA3 GLY A 71 9.409 -36.005 16.941 1.00 34.44 H new ATOM 1059 N ILE A 72 11.276 -34.917 14.917 1.00 12.31 N ATOM 1060 CA ILE A 72 11.577 -33.964 13.856 1.00 3.21 C ATOM 1061 C ILE A 72 11.976 -34.680 12.570 1.00 34.44 C ATOM 1062 O ILE A 72 13.005 -35.354 12.516 1.00 62.53 O ATOM 1063 CB ILE A 72 12.709 -33.003 14.267 1.00 71.31 C ATOM 1064 CG1 ILE A 72 12.312 -32.218 15.519 1.00 53.04 C ATOM 1065 CG2 ILE A 72 13.041 -32.056 13.124 1.00 54.13 C ATOM 1066 CD1 ILE A 72 13.222 -32.465 16.701 1.00 1.21 C ATOM 0 H ILE A 72 12.028 -35.046 15.594 1.00 12.31 H new ATOM 0 HA ILE A 72 10.668 -33.389 13.682 1.00 3.21 H new ATOM 0 HB ILE A 72 13.598 -33.590 14.496 1.00 71.31 H new ATOM 0 HG12 ILE A 72 12.314 -31.153 15.286 1.00 53.04 H new ATOM 0 HG13 ILE A 72 11.291 -32.482 15.795 1.00 53.04 H new ATOM 0 HG21 ILE A 72 13.842 -31.383 13.430 1.00 54.13 H new ATOM 0 HG22 ILE A 72 13.362 -32.632 12.256 1.00 54.13 H new ATOM 0 HG23 ILE A 72 12.157 -31.473 12.866 1.00 54.13 H new ATOM 0 HD11 ILE A 72 12.881 -31.876 17.552 1.00 1.21 H new ATOM 0 HD12 ILE A 72 13.202 -33.523 16.961 1.00 1.21 H new ATOM 0 HD13 ILE A 72 14.240 -32.174 16.443 1.00 1.21 H new ATOM 1078 N LEU A 73 11.155 -34.529 11.537 1.00 71.21 N ATOM 1079 CA LEU A 73 11.422 -35.160 10.249 1.00 30.41 C ATOM 1080 C LEU A 73 12.574 -34.466 9.531 1.00 44.22 C ATOM 1081 O LEU A 73 12.463 -33.306 9.133 1.00 0.43 O ATOM 1082 CB LEU A 73 10.168 -35.130 9.374 1.00 52.51 C ATOM 1083 CG LEU A 73 9.062 -36.116 9.751 1.00 13.40 C ATOM 1084 CD1 LEU A 73 9.597 -37.539 9.765 1.00 42.14 C ATOM 1085 CD2 LEU A 73 8.465 -35.755 11.104 1.00 74.54 C ATOM 0 H LEU A 73 10.299 -33.975 11.566 1.00 71.21 H new ATOM 0 HA LEU A 73 11.705 -36.197 10.432 1.00 30.41 H new ATOM 0 HB2 LEU A 73 9.754 -34.122 9.402 1.00 52.51 H new ATOM 0 HB3 LEU A 73 10.464 -35.324 8.343 1.00 52.51 H new ATOM 0 HG LEU A 73 8.274 -36.054 9.000 1.00 13.40 H new ATOM 0 HD11 LEU A 73 8.795 -38.226 10.035 1.00 42.14 H new ATOM 0 HD12 LEU A 73 9.976 -37.795 8.776 1.00 42.14 H new ATOM 0 HD13 LEU A 73 10.404 -37.617 10.494 1.00 42.14 H new ATOM 0 HD21 LEU A 73 7.679 -36.467 11.357 1.00 74.54 H new ATOM 0 HD22 LEU A 73 9.244 -35.788 11.866 1.00 74.54 H new ATOM 0 HD23 LEU A 73 8.044 -34.751 11.060 1.00 74.54 H new ATOM 1097 N HIS A 74 13.681 -35.184 9.366 1.00 52.14 N ATOM 1098 CA HIS A 74 14.854 -34.637 8.692 1.00 35.40 C ATOM 1099 C HIS A 74 14.743 -34.812 7.180 1.00 33.55 C ATOM 1100 O HIS A 74 14.149 -35.777 6.700 1.00 64.44 O ATOM 1101 CB HIS A 74 16.124 -35.316 9.204 1.00 63.10 C ATOM 1102 CG HIS A 74 17.198 -34.352 9.605 1.00 64.25 C ATOM 1103 ND1 HIS A 74 17.733 -33.419 8.741 1.00 35.11 N ATOM 1104 CD2 HIS A 74 17.837 -34.179 10.785 1.00 10.24 C ATOM 1105 CE1 HIS A 74 18.654 -32.715 9.373 1.00 44.21 C ATOM 1106 NE2 HIS A 74 18.737 -33.156 10.615 1.00 11.33 N ATOM 0 H HIS A 74 13.790 -36.145 9.689 1.00 52.14 H new ATOM 0 HA HIS A 74 14.906 -33.571 8.913 1.00 35.40 H new ATOM 0 HB2 HIS A 74 15.872 -35.943 10.059 1.00 63.10 H new ATOM 0 HB3 HIS A 74 16.511 -35.977 8.428 1.00 63.10 H new ATOM 0 HD2 HIS A 74 17.670 -34.741 11.692 1.00 10.24 H new ATOM 0 HE1 HIS A 74 19.240 -31.914 8.947 1.00 44.21 H new ATOM 0 HE2 HIS A 74 19.367 -32.795 11.331 1.00 11.33 H new ATOM 1114 N ALA A 75 15.317 -33.872 6.437 1.00 30.40 N ATOM 1115 CA ALA A 75 15.284 -33.924 4.981 1.00 54.33 C ATOM 1116 C ALA A 75 16.572 -34.519 4.423 1.00 51.03 C ATOM 1117 O ALA A 75 17.622 -34.500 5.065 1.00 42.42 O ATOM 1118 CB ALA A 75 15.051 -32.533 4.409 1.00 65.02 C ATOM 0 H ALA A 75 15.810 -33.065 6.819 1.00 30.40 H new ATOM 0 HA ALA A 75 14.458 -34.571 4.684 1.00 54.33 H new ATOM 0 HB1 ALA A 75 15.029 -32.586 3.321 1.00 65.02 H new ATOM 0 HB2 ALA A 75 14.100 -32.145 4.773 1.00 65.02 H new ATOM 0 HB3 ALA A 75 15.858 -31.871 4.723 1.00 65.02 H new ATOM 1124 N PRO A 76 16.492 -35.062 3.199 1.00 42.12 N ATOM 1125 CA PRO A 76 17.643 -35.673 2.528 1.00 61.53 C ATOM 1126 C PRO A 76 18.686 -34.642 2.109 1.00 35.23 C ATOM 1127 O PRO A 76 18.573 -33.462 2.441 1.00 21.04 O ATOM 1128 CB PRO A 76 17.023 -36.338 1.296 1.00 45.34 C ATOM 1129 CG PRO A 76 15.781 -35.560 1.030 1.00 10.35 C ATOM 1130 CD PRO A 76 15.273 -35.120 2.376 1.00 74.14 C ATOM 0 HA PRO A 76 18.175 -36.365 3.181 1.00 61.53 H new ATOM 0 HB2 PRO A 76 17.702 -36.304 0.444 1.00 45.34 H new ATOM 0 HB3 PRO A 76 16.800 -37.388 1.483 1.00 45.34 H new ATOM 0 HG2 PRO A 76 15.987 -34.702 0.391 1.00 10.35 H new ATOM 0 HG3 PRO A 76 15.041 -36.171 0.514 1.00 10.35 H new ATOM 0 HD2 PRO A 76 14.779 -34.150 2.321 1.00 74.14 H new ATOM 0 HD3 PRO A 76 14.548 -35.825 2.782 1.00 74.14 H new ATOM 1138 N ASP A 77 19.699 -35.095 1.379 1.00 54.31 N ATOM 1139 CA ASP A 77 20.761 -34.210 0.914 1.00 73.44 C ATOM 1140 C ASP A 77 20.304 -33.404 -0.298 1.00 65.04 C ATOM 1141 O ASP A 77 21.045 -32.567 -0.814 1.00 30.21 O ATOM 1142 CB ASP A 77 22.010 -35.020 0.562 1.00 1.33 C ATOM 1143 CG ASP A 77 22.823 -35.390 1.787 1.00 21.30 C ATOM 1144 OD1 ASP A 77 23.927 -35.950 1.620 1.00 71.53 O ATOM 1145 OD2 ASP A 77 22.356 -35.119 2.913 1.00 61.51 O ATOM 0 H ASP A 77 19.807 -36.069 1.096 1.00 54.31 H new ATOM 0 HA ASP A 77 21.002 -33.516 1.719 1.00 73.44 H new ATOM 0 HB2 ASP A 77 21.715 -35.929 0.037 1.00 1.33 H new ATOM 0 HB3 ASP A 77 22.632 -34.444 -0.123 1.00 1.33 H new ATOM 1150 N ALA A 78 19.081 -33.663 -0.749 1.00 1.15 N ATOM 1151 CA ALA A 78 18.526 -32.961 -1.899 1.00 0.31 C ATOM 1152 C ALA A 78 17.425 -31.995 -1.474 1.00 2.11 C ATOM 1153 O ALA A 78 17.172 -30.994 -2.143 1.00 11.25 O ATOM 1154 CB ALA A 78 17.993 -33.957 -2.918 1.00 54.41 C ATOM 0 H ALA A 78 18.456 -34.354 -0.335 1.00 1.15 H new ATOM 0 HA ALA A 78 19.325 -32.380 -2.359 1.00 0.31 H new ATOM 0 HB1 ALA A 78 17.581 -33.419 -3.772 1.00 54.41 H new ATOM 0 HB2 ALA A 78 18.804 -34.604 -3.253 1.00 54.41 H new ATOM 0 HB3 ALA A 78 17.211 -34.563 -2.460 1.00 54.41 H new ATOM 1160 N GLY A 79 16.773 -32.303 -0.357 1.00 14.11 N ATOM 1161 CA GLY A 79 15.706 -31.452 0.137 1.00 33.43 C ATOM 1162 C GLY A 79 14.363 -32.155 0.151 1.00 71.42 C ATOM 1163 O GLY A 79 14.269 -33.334 -0.190 1.00 72.45 O ATOM 0 H GLY A 79 16.964 -33.126 0.214 1.00 14.11 H new ATOM 0 HA2 GLY A 79 15.949 -31.119 1.146 1.00 33.43 H new ATOM 0 HA3 GLY A 79 15.639 -30.560 -0.486 1.00 33.43 H new ATOM 1167 N TRP A 80 13.322 -31.432 0.547 1.00 3.22 N ATOM 1168 CA TRP A 80 11.978 -31.995 0.605 1.00 11.44 C ATOM 1169 C TRP A 80 11.436 -32.256 -0.796 1.00 11.35 C ATOM 1170 O TRP A 80 11.094 -33.387 -1.138 1.00 53.31 O ATOM 1171 CB TRP A 80 11.040 -31.051 1.361 1.00 63.41 C ATOM 1172 CG TRP A 80 11.325 -30.982 2.831 1.00 60.43 C ATOM 1173 CD1 TRP A 80 11.694 -29.877 3.543 1.00 30.10 C ATOM 1174 CD2 TRP A 80 11.266 -32.064 3.767 1.00 71.12 C ATOM 1175 NE1 TRP A 80 11.868 -30.207 4.866 1.00 52.44 N ATOM 1176 CE2 TRP A 80 11.610 -31.542 5.029 1.00 4.00 C ATOM 1177 CE3 TRP A 80 10.954 -33.422 3.662 1.00 35.13 C ATOM 1178 CZ2 TRP A 80 11.652 -32.332 6.175 1.00 53.22 C ATOM 1179 CZ3 TRP A 80 10.995 -34.205 4.800 1.00 3.34 C ATOM 1180 CH2 TRP A 80 11.341 -33.658 6.043 1.00 24.13 C ATOM 0 H TRP A 80 13.383 -30.455 0.833 1.00 3.22 H new ATOM 0 HA TRP A 80 12.031 -32.945 1.136 1.00 11.44 H new ATOM 0 HB2 TRP A 80 11.122 -30.051 0.935 1.00 63.41 H new ATOM 0 HB3 TRP A 80 10.011 -31.377 1.213 1.00 63.41 H new ATOM 0 HD1 TRP A 80 11.829 -28.889 3.128 1.00 30.10 H new ATOM 0 HE1 TRP A 80 12.144 -29.562 5.606 1.00 52.44 H new ATOM 0 HE3 TRP A 80 10.686 -33.852 2.708 1.00 35.13 H new ATOM 0 HZ2 TRP A 80 11.920 -31.913 7.134 1.00 53.22 H new ATOM 0 HZ3 TRP A 80 10.756 -35.256 4.730 1.00 3.34 H new ATOM 0 HH2 TRP A 80 11.363 -34.296 6.914 1.00 24.13 H new ATOM 1191 N GLY A 81 11.361 -31.202 -1.603 1.00 14.44 N ATOM 1192 CA GLY A 81 10.859 -31.339 -2.957 1.00 61.14 C ATOM 1193 C GLY A 81 9.347 -31.264 -3.026 1.00 73.43 C ATOM 1194 O GLY A 81 8.696 -30.829 -2.077 1.00 44.12 O ATOM 0 H GLY A 81 11.639 -30.256 -1.343 1.00 14.44 H new ATOM 0 HA2 GLY A 81 11.287 -30.554 -3.581 1.00 61.14 H new ATOM 0 HA3 GLY A 81 11.191 -32.292 -3.370 1.00 61.14 H new ATOM 1198 N ASN A 82 8.786 -31.689 -4.154 1.00 34.12 N ATOM 1199 CA ASN A 82 7.340 -31.666 -4.344 1.00 32.23 C ATOM 1200 C ASN A 82 6.827 -33.035 -4.782 1.00 11.33 C ATOM 1201 O ASN A 82 5.873 -33.134 -5.554 1.00 74.42 O ATOM 1202 CB ASN A 82 6.958 -30.610 -5.382 1.00 54.43 C ATOM 1203 CG ASN A 82 7.887 -29.412 -5.357 1.00 51.51 C ATOM 1204 OD1 ASN A 82 8.100 -28.853 -4.171 1.00 2.44 O flip ATOM 1205 ND2 ASN A 82 8.407 -28.994 -6.392 1.00 53.12 N flip ATOM 0 H ASN A 82 9.310 -32.053 -4.950 1.00 34.12 H new ATOM 0 HA ASN A 82 6.877 -31.412 -3.390 1.00 32.23 H new ATOM 0 HB2 ASN A 82 6.974 -31.058 -6.375 1.00 54.43 H new ATOM 0 HB3 ASN A 82 5.936 -30.278 -5.199 1.00 54.43 H new ATOM 0 HD21 ASN A 82 8.215 -29.455 -7.281 1.00 53.12 H new ATOM 0 HD22 ASN A 82 9.030 -28.187 -6.360 1.00 53.12 H new ATOM 1212 N LEU A 83 7.466 -34.087 -4.283 1.00 30.10 N ATOM 1213 CA LEU A 83 7.075 -35.451 -4.622 1.00 34.14 C ATOM 1214 C LEU A 83 6.024 -35.974 -3.647 1.00 25.21 C ATOM 1215 O LEU A 83 5.564 -35.248 -2.765 1.00 61.44 O ATOM 1216 CB LEU A 83 8.297 -36.370 -4.614 1.00 22.34 C ATOM 1217 CG LEU A 83 9.248 -36.212 -3.427 1.00 4.21 C ATOM 1218 CD1 LEU A 83 10.214 -35.061 -3.667 1.00 31.54 C ATOM 1219 CD2 LEU A 83 8.465 -35.994 -2.141 1.00 12.32 C ATOM 0 H LEU A 83 8.257 -34.022 -3.642 1.00 30.10 H new ATOM 0 HA LEU A 83 6.643 -35.441 -5.623 1.00 34.14 H new ATOM 0 HB2 LEU A 83 7.950 -37.403 -4.641 1.00 22.34 H new ATOM 0 HB3 LEU A 83 8.861 -36.199 -5.531 1.00 22.34 H new ATOM 0 HG LEU A 83 9.827 -37.130 -3.325 1.00 4.21 H new ATOM 0 HD11 LEU A 83 10.883 -34.963 -2.812 1.00 31.54 H new ATOM 0 HD12 LEU A 83 10.799 -35.258 -4.565 1.00 31.54 H new ATOM 0 HD13 LEU A 83 9.653 -34.136 -3.796 1.00 31.54 H new ATOM 0 HD21 LEU A 83 9.158 -35.884 -1.307 1.00 12.32 H new ATOM 0 HD22 LEU A 83 7.860 -35.092 -2.232 1.00 12.32 H new ATOM 0 HD23 LEU A 83 7.815 -36.850 -1.961 1.00 12.32 H new ATOM 1231 N VAL A 84 5.651 -37.239 -3.810 1.00 60.41 N ATOM 1232 CA VAL A 84 4.658 -37.861 -2.943 1.00 33.42 C ATOM 1233 C VAL A 84 5.323 -38.593 -1.782 1.00 74.34 C ATOM 1234 O VAL A 84 6.507 -38.925 -1.841 1.00 10.43 O ATOM 1235 CB VAL A 84 3.774 -38.853 -3.722 1.00 62.34 C ATOM 1236 CG1 VAL A 84 2.523 -39.194 -2.927 1.00 3.13 C ATOM 1237 CG2 VAL A 84 3.411 -38.285 -5.086 1.00 14.34 C ATOM 0 H VAL A 84 6.022 -37.853 -4.535 1.00 60.41 H new ATOM 0 HA VAL A 84 4.033 -37.058 -2.552 1.00 33.42 H new ATOM 0 HB VAL A 84 4.339 -39.773 -3.875 1.00 62.34 H new ATOM 0 HG11 VAL A 84 1.912 -39.896 -3.494 1.00 3.13 H new ATOM 0 HG12 VAL A 84 2.808 -39.646 -1.977 1.00 3.13 H new ATOM 0 HG13 VAL A 84 1.952 -38.285 -2.739 1.00 3.13 H new ATOM 0 HG21 VAL A 84 2.786 -38.999 -5.623 1.00 14.34 H new ATOM 0 HG22 VAL A 84 2.865 -37.350 -4.957 1.00 14.34 H new ATOM 0 HG23 VAL A 84 4.321 -38.098 -5.656 1.00 14.34 H new ATOM 1247 N TYR A 85 4.553 -38.843 -0.729 1.00 72.11 N ATOM 1248 CA TYR A 85 5.067 -39.535 0.447 1.00 45.42 C ATOM 1249 C TYR A 85 4.095 -40.613 0.914 1.00 73.11 C ATOM 1250 O TYR A 85 2.879 -40.465 0.791 1.00 52.43 O ATOM 1251 CB TYR A 85 5.324 -38.538 1.579 1.00 73.32 C ATOM 1252 CG TYR A 85 4.212 -38.486 2.602 1.00 10.43 C ATOM 1253 CD1 TYR A 85 4.146 -39.414 3.634 1.00 62.43 C ATOM 1254 CD2 TYR A 85 3.227 -37.508 2.538 1.00 40.15 C ATOM 1255 CE1 TYR A 85 3.132 -39.371 4.571 1.00 40.33 C ATOM 1256 CE2 TYR A 85 2.210 -37.456 3.471 1.00 40.31 C ATOM 1257 CZ TYR A 85 2.167 -38.389 4.485 1.00 33.24 C ATOM 1258 OH TYR A 85 1.154 -38.341 5.416 1.00 24.43 O ATOM 0 H TYR A 85 3.570 -38.577 -0.666 1.00 72.11 H new ATOM 0 HA TYR A 85 6.007 -40.014 0.173 1.00 45.42 H new ATOM 0 HB2 TYR A 85 6.256 -38.802 2.080 1.00 73.32 H new ATOM 0 HB3 TYR A 85 5.461 -37.544 1.153 1.00 73.32 H new ATOM 0 HD1 TYR A 85 4.901 -40.183 3.705 1.00 62.43 H new ATOM 0 HD2 TYR A 85 3.257 -36.776 1.745 1.00 40.15 H new ATOM 0 HE1 TYR A 85 3.095 -40.101 5.366 1.00 40.33 H new ATOM 0 HE2 TYR A 85 1.453 -36.689 3.407 1.00 40.31 H new ATOM 0 HH TYR A 85 0.800 -37.429 5.468 1.00 24.43 H new ATOM 1268 N VAL A 86 4.640 -41.700 1.452 1.00 54.32 N ATOM 1269 CA VAL A 86 3.822 -42.804 1.940 1.00 53.42 C ATOM 1270 C VAL A 86 3.885 -42.904 3.460 1.00 74.13 C ATOM 1271 O VAL A 86 4.954 -43.104 4.036 1.00 60.32 O ATOM 1272 CB VAL A 86 4.267 -44.145 1.329 1.00 64.33 C ATOM 1273 CG1 VAL A 86 3.426 -45.288 1.877 1.00 41.31 C ATOM 1274 CG2 VAL A 86 4.185 -44.092 -0.189 1.00 70.34 C ATOM 0 H VAL A 86 5.645 -41.839 1.561 1.00 54.32 H new ATOM 0 HA VAL A 86 2.796 -42.597 1.635 1.00 53.42 H new ATOM 0 HB VAL A 86 5.305 -44.324 1.608 1.00 64.33 H new ATOM 0 HG11 VAL A 86 3.756 -46.227 1.433 1.00 41.31 H new ATOM 0 HG12 VAL A 86 3.541 -45.338 2.960 1.00 41.31 H new ATOM 0 HG13 VAL A 86 2.378 -45.119 1.631 1.00 41.31 H new ATOM 0 HG21 VAL A 86 4.503 -45.048 -0.604 1.00 70.34 H new ATOM 0 HG22 VAL A 86 3.158 -43.889 -0.491 1.00 70.34 H new ATOM 0 HG23 VAL A 86 4.835 -43.300 -0.561 1.00 70.34 H new ATOM 1284 N VAL A 87 2.731 -42.764 4.105 1.00 72.41 N ATOM 1285 CA VAL A 87 2.654 -42.841 5.559 1.00 73.02 C ATOM 1286 C VAL A 87 3.165 -44.184 6.066 1.00 24.52 C ATOM 1287 O VAL A 87 3.262 -45.149 5.309 1.00 23.21 O ATOM 1288 CB VAL A 87 1.211 -42.633 6.056 1.00 11.41 C ATOM 1289 CG1 VAL A 87 0.812 -41.169 5.940 1.00 70.41 C ATOM 1290 CG2 VAL A 87 0.248 -43.519 5.282 1.00 74.53 C ATOM 0 H VAL A 87 1.837 -42.597 3.644 1.00 72.41 H new ATOM 0 HA VAL A 87 3.285 -42.044 5.952 1.00 73.02 H new ATOM 0 HB VAL A 87 1.163 -42.916 7.108 1.00 11.41 H new ATOM 0 HG11 VAL A 87 -0.210 -41.041 6.296 1.00 70.41 H new ATOM 0 HG12 VAL A 87 1.485 -40.560 6.543 1.00 70.41 H new ATOM 0 HG13 VAL A 87 0.875 -40.856 4.898 1.00 70.41 H new ATOM 0 HG21 VAL A 87 -0.767 -43.359 5.646 1.00 74.53 H new ATOM 0 HG22 VAL A 87 0.296 -43.270 4.222 1.00 74.53 H new ATOM 0 HG23 VAL A 87 0.523 -44.564 5.422 1.00 74.53 H new ATOM 1300 N ASN A 88 3.491 -44.239 7.354 1.00 64.45 N ATOM 1301 CA ASN A 88 3.994 -45.465 7.963 1.00 33.41 C ATOM 1302 C ASN A 88 3.516 -45.591 9.406 1.00 13.35 C ATOM 1303 O ASN A 88 4.181 -45.130 10.334 1.00 3.11 O ATOM 1304 CB ASN A 88 5.523 -45.494 7.916 1.00 12.42 C ATOM 1305 CG ASN A 88 6.058 -45.482 6.497 1.00 1.34 C ATOM 1306 OD1 ASN A 88 5.695 -46.326 5.678 1.00 53.40 O ATOM 1307 ND2 ASN A 88 6.927 -44.522 6.201 1.00 72.00 N ATOM 0 H ASN A 88 3.416 -43.449 7.995 1.00 64.45 H new ATOM 0 HA ASN A 88 3.604 -46.309 7.394 1.00 33.41 H new ATOM 0 HB2 ASN A 88 5.917 -44.634 8.457 1.00 12.42 H new ATOM 0 HB3 ASN A 88 5.883 -46.386 8.430 1.00 12.42 H new ATOM 0 HD21 ASN A 88 7.322 -44.463 5.262 1.00 72.00 H new ATOM 0 HD22 ASN A 88 7.199 -43.843 6.912 1.00 72.00 H new ATOM 1314 N TYR A 89 2.359 -46.217 9.588 1.00 33.52 N ATOM 1315 CA TYR A 89 1.790 -46.402 10.918 1.00 22.21 C ATOM 1316 C TYR A 89 0.524 -47.251 10.856 1.00 20.12 C ATOM 1317 O TYR A 89 -0.175 -47.297 9.843 1.00 24.25 O ATOM 1318 CB TYR A 89 1.478 -45.047 11.555 1.00 3.11 C ATOM 1319 CG TYR A 89 0.306 -44.335 10.920 1.00 52.45 C ATOM 1320 CD1 TYR A 89 -0.898 -44.193 11.600 1.00 44.14 C ATOM 1321 CD2 TYR A 89 0.401 -43.804 9.639 1.00 73.31 C ATOM 1322 CE1 TYR A 89 -1.972 -43.543 11.023 1.00 61.52 C ATOM 1323 CE2 TYR A 89 -0.668 -43.152 9.055 1.00 62.11 C ATOM 1324 CZ TYR A 89 -1.852 -43.024 9.751 1.00 61.44 C ATOM 1325 OH TYR A 89 -2.919 -42.377 9.172 1.00 51.33 O ATOM 0 H TYR A 89 1.796 -46.605 8.831 1.00 33.52 H new ATOM 0 HA TYR A 89 2.526 -46.923 11.531 1.00 22.21 H new ATOM 0 HB2 TYR A 89 1.273 -45.192 12.616 1.00 3.11 H new ATOM 0 HB3 TYR A 89 2.360 -44.410 11.485 1.00 3.11 H new ATOM 0 HD1 TYR A 89 -0.996 -44.598 12.597 1.00 44.14 H new ATOM 0 HD2 TYR A 89 1.326 -43.903 9.091 1.00 73.31 H new ATOM 0 HE1 TYR A 89 -2.901 -43.442 11.565 1.00 61.52 H new ATOM 0 HE2 TYR A 89 -0.577 -42.745 8.059 1.00 62.11 H new ATOM 0 HH TYR A 89 -2.668 -42.071 8.275 1.00 51.33 H new ATOM 1335 N PRO A 90 0.220 -47.940 11.966 1.00 12.44 N ATOM 1336 CA PRO A 90 -0.964 -48.799 12.065 1.00 24.05 C ATOM 1337 C PRO A 90 -2.261 -47.998 12.089 1.00 72.44 C ATOM 1338 O PRO A 90 -2.256 -46.782 11.900 1.00 2.31 O ATOM 1339 CB PRO A 90 -0.762 -49.529 13.396 1.00 43.31 C ATOM 1340 CG PRO A 90 0.107 -48.622 14.197 1.00 13.54 C ATOM 1341 CD PRO A 90 1.007 -47.932 13.211 1.00 45.35 C ATOM 0 HA PRO A 90 -1.057 -49.465 11.207 1.00 24.05 H new ATOM 0 HB2 PRO A 90 -1.713 -49.710 13.897 1.00 43.31 H new ATOM 0 HB3 PRO A 90 -0.290 -50.500 13.247 1.00 43.31 H new ATOM 0 HG2 PRO A 90 -0.491 -47.899 14.752 1.00 13.54 H new ATOM 0 HG3 PRO A 90 0.688 -49.184 14.928 1.00 13.54 H new ATOM 0 HD2 PRO A 90 1.247 -46.917 13.528 1.00 45.35 H new ATOM 0 HD3 PRO A 90 1.953 -48.461 13.092 1.00 45.35 H new ATOM 1349 N LYS A 91 -3.373 -48.688 12.321 1.00 24.42 N ATOM 1350 CA LYS A 91 -4.679 -48.042 12.371 1.00 24.10 C ATOM 1351 C LYS A 91 -4.878 -47.321 13.700 1.00 14.30 C ATOM 1352 O LYS A 91 -4.902 -47.947 14.760 1.00 61.13 O ATOM 1353 CB LYS A 91 -5.790 -49.075 12.167 1.00 4.31 C ATOM 1354 CG LYS A 91 -7.131 -48.461 11.803 1.00 65.45 C ATOM 1355 CD LYS A 91 -7.135 -47.938 10.376 1.00 70.20 C ATOM 1356 CE LYS A 91 -8.547 -47.861 9.815 1.00 23.11 C ATOM 1357 NZ LYS A 91 -8.651 -46.869 8.710 1.00 40.33 N ATOM 0 H LYS A 91 -3.395 -49.696 12.477 1.00 24.42 H new ATOM 0 HA LYS A 91 -4.724 -47.306 11.568 1.00 24.10 H new ATOM 0 HB2 LYS A 91 -5.491 -49.767 11.380 1.00 4.31 H new ATOM 0 HB3 LYS A 91 -5.903 -49.660 13.080 1.00 4.31 H new ATOM 0 HG2 LYS A 91 -7.918 -49.206 11.921 1.00 65.45 H new ATOM 0 HG3 LYS A 91 -7.358 -47.647 12.491 1.00 65.45 H new ATOM 0 HD2 LYS A 91 -6.677 -46.949 10.348 1.00 70.20 H new ATOM 0 HD3 LYS A 91 -6.527 -48.589 9.747 1.00 70.20 H new ATOM 0 HE2 LYS A 91 -8.847 -48.843 9.451 1.00 23.11 H new ATOM 0 HE3 LYS A 91 -9.240 -47.591 10.612 1.00 23.11 H new ATOM 0 HZ1 LYS A 91 -9.628 -46.846 8.355 1.00 40.33 H new ATOM 0 HZ2 LYS A 91 -8.389 -45.927 9.064 1.00 40.33 H new ATOM 0 HZ3 LYS A 91 -8.008 -47.140 7.939 1.00 40.33 H new ATOM 1371 N ASP A 92 -5.023 -46.002 13.636 1.00 11.20 N ATOM 1372 CA ASP A 92 -5.224 -45.196 14.834 1.00 3.55 C ATOM 1373 C ASP A 92 -6.639 -44.629 14.877 1.00 13.44 C ATOM 1374 O ASP A 92 -7.172 -44.186 13.861 1.00 50.12 O ATOM 1375 CB ASP A 92 -4.203 -44.057 14.886 1.00 73.30 C ATOM 1376 CG ASP A 92 -3.145 -44.276 15.949 1.00 63.42 C ATOM 1377 OD1 ASP A 92 -2.138 -44.954 15.653 1.00 2.11 O ATOM 1378 OD2 ASP A 92 -3.323 -43.770 17.076 1.00 5.20 O ATOM 0 H ASP A 92 -5.005 -45.468 12.767 1.00 11.20 H new ATOM 0 HA ASP A 92 -5.084 -45.840 15.702 1.00 3.55 H new ATOM 0 HB2 ASP A 92 -3.722 -43.960 13.913 1.00 73.30 H new ATOM 0 HB3 ASP A 92 -4.721 -43.118 15.081 1.00 73.30 H new ATOM 1383 N ASN A 93 -7.243 -44.647 16.061 1.00 0.24 N ATOM 1384 CA ASN A 93 -8.598 -44.136 16.236 1.00 23.05 C ATOM 1385 C ASN A 93 -8.575 -42.682 16.698 1.00 34.11 C ATOM 1386 O ASN A 93 -8.530 -42.400 17.896 1.00 53.43 O ATOM 1387 CB ASN A 93 -9.361 -44.993 17.249 1.00 52.44 C ATOM 1388 CG ASN A 93 -10.856 -44.992 16.995 1.00 14.35 C ATOM 1389 OD1 ASN A 93 -11.327 -45.526 15.991 1.00 15.51 O ATOM 1390 ND2 ASN A 93 -11.610 -44.390 17.908 1.00 35.01 N ATOM 0 H ASN A 93 -6.816 -45.010 16.913 1.00 0.24 H new ATOM 0 HA ASN A 93 -9.106 -44.185 15.273 1.00 23.05 H new ATOM 0 HB2 ASN A 93 -8.989 -46.017 17.209 1.00 52.44 H new ATOM 0 HB3 ASN A 93 -9.166 -44.622 18.255 1.00 52.44 H new ATOM 0 HD21 ASN A 93 -12.623 -44.357 17.792 1.00 35.01 H new ATOM 0 HD22 ASN A 93 -11.176 -43.960 18.725 1.00 35.01 H new ATOM 1397 N LYS A 94 -8.608 -41.762 15.740 1.00 60.32 N ATOM 1398 CA LYS A 94 -8.594 -40.337 16.046 1.00 4.20 C ATOM 1399 C LYS A 94 -9.228 -39.531 14.917 1.00 72.32 C ATOM 1400 O LYS A 94 -9.008 -39.816 13.739 1.00 12.43 O ATOM 1401 CB LYS A 94 -7.159 -39.860 16.283 1.00 10.43 C ATOM 1402 CG LYS A 94 -6.319 -39.806 15.019 1.00 23.42 C ATOM 1403 CD LYS A 94 -4.866 -39.487 15.328 1.00 2.24 C ATOM 1404 CE LYS A 94 -4.695 -38.041 15.768 1.00 4.15 C ATOM 1405 NZ LYS A 94 -4.643 -37.915 17.251 1.00 15.24 N ATOM 0 H LYS A 94 -8.645 -41.978 14.744 1.00 60.32 H new ATOM 0 HA LYS A 94 -9.178 -40.180 16.953 1.00 4.20 H new ATOM 0 HB2 LYS A 94 -7.185 -38.868 16.735 1.00 10.43 H new ATOM 0 HB3 LYS A 94 -6.678 -40.525 17.001 1.00 10.43 H new ATOM 0 HG2 LYS A 94 -6.380 -40.762 14.500 1.00 23.42 H new ATOM 0 HG3 LYS A 94 -6.723 -39.051 14.345 1.00 23.42 H new ATOM 0 HD2 LYS A 94 -4.505 -40.152 16.112 1.00 2.24 H new ATOM 0 HD3 LYS A 94 -4.255 -39.675 14.445 1.00 2.24 H new ATOM 0 HE2 LYS A 94 -3.779 -37.636 15.337 1.00 4.15 H new ATOM 0 HE3 LYS A 94 -5.521 -37.444 15.381 1.00 4.15 H new ATOM 0 HZ1 LYS A 94 -5.073 -37.013 17.538 1.00 15.24 H new ATOM 0 HZ2 LYS A 94 -5.167 -38.702 17.685 1.00 15.24 H new ATOM 0 HZ3 LYS A 94 -3.653 -37.942 17.567 1.00 15.24 H new ATOM 1419 N ARG A 95 -10.015 -38.525 15.284 1.00 42.24 N ATOM 1420 CA ARG A 95 -10.681 -37.678 14.301 1.00 64.30 C ATOM 1421 C ARG A 95 -9.667 -36.827 13.541 1.00 74.21 C ATOM 1422 O ARG A 95 -8.666 -36.383 14.104 1.00 74.42 O ATOM 1423 CB ARG A 95 -11.708 -36.776 14.987 1.00 73.05 C ATOM 1424 CG ARG A 95 -12.703 -36.145 14.025 1.00 24.52 C ATOM 1425 CD ARG A 95 -13.937 -35.638 14.754 1.00 1.20 C ATOM 1426 NE ARG A 95 -13.628 -34.519 15.641 1.00 63.33 N ATOM 1427 CZ ARG A 95 -14.539 -33.662 16.087 1.00 3.22 C ATOM 1428 NH1 ARG A 95 -15.809 -33.794 15.732 1.00 71.51 N ATOM 1429 NH2 ARG A 95 -14.180 -32.669 16.891 1.00 25.33 N ATOM 0 H ARG A 95 -10.207 -38.276 16.254 1.00 42.24 H new ATOM 0 HA ARG A 95 -11.194 -38.324 13.588 1.00 64.30 H new ATOM 0 HB2 ARG A 95 -12.253 -37.359 15.729 1.00 73.05 H new ATOM 0 HB3 ARG A 95 -11.184 -35.986 15.524 1.00 73.05 H new ATOM 0 HG2 ARG A 95 -12.226 -35.319 13.496 1.00 24.52 H new ATOM 0 HG3 ARG A 95 -12.998 -36.877 13.273 1.00 24.52 H new ATOM 0 HD2 ARG A 95 -14.686 -35.327 14.026 1.00 1.20 H new ATOM 0 HD3 ARG A 95 -14.375 -36.450 15.334 1.00 1.20 H new ATOM 0 HE ARG A 95 -12.660 -34.389 15.934 1.00 63.33 H new ATOM 0 HH11 ARG A 95 -16.089 -34.556 15.114 1.00 71.51 H new ATOM 0 HH12 ARG A 95 -16.506 -33.134 16.077 1.00 71.51 H new ATOM 0 HH21 ARG A 95 -13.204 -32.564 17.167 1.00 25.33 H new ATOM 0 HH22 ARG A 95 -14.880 -32.011 17.233 1.00 25.33 H new ATOM 1443 N LYS A 96 -9.934 -36.604 12.259 1.00 41.24 N ATOM 1444 CA LYS A 96 -9.047 -35.806 11.420 1.00 12.21 C ATOM 1445 C LYS A 96 -9.732 -34.517 10.976 1.00 31.20 C ATOM 1446 O LYS A 96 -10.944 -34.365 11.124 1.00 12.12 O ATOM 1447 CB LYS A 96 -8.609 -36.611 10.195 1.00 65.10 C ATOM 1448 CG LYS A 96 -9.763 -37.056 9.314 1.00 32.24 C ATOM 1449 CD LYS A 96 -9.282 -37.489 7.940 1.00 64.12 C ATOM 1450 CE LYS A 96 -9.286 -36.329 6.957 1.00 41.53 C ATOM 1451 NZ LYS A 96 -8.751 -36.727 5.625 1.00 35.52 N ATOM 0 H LYS A 96 -10.758 -36.965 11.778 1.00 41.24 H new ATOM 0 HA LYS A 96 -8.168 -35.545 12.009 1.00 12.21 H new ATOM 0 HB2 LYS A 96 -7.922 -36.008 9.602 1.00 65.10 H new ATOM 0 HB3 LYS A 96 -8.057 -37.490 10.527 1.00 65.10 H new ATOM 0 HG2 LYS A 96 -10.290 -37.882 9.793 1.00 32.24 H new ATOM 0 HG3 LYS A 96 -10.478 -36.240 9.210 1.00 32.24 H new ATOM 0 HD2 LYS A 96 -8.274 -37.898 8.018 1.00 64.12 H new ATOM 0 HD3 LYS A 96 -9.922 -38.288 7.564 1.00 64.12 H new ATOM 0 HE2 LYS A 96 -10.303 -35.954 6.842 1.00 41.53 H new ATOM 0 HE3 LYS A 96 -8.688 -35.511 7.359 1.00 41.53 H new ATOM 0 HZ1 LYS A 96 -8.771 -35.908 4.984 1.00 35.52 H new ATOM 0 HZ2 LYS A 96 -7.772 -37.061 5.730 1.00 35.52 H new ATOM 0 HZ3 LYS A 96 -9.337 -37.490 5.230 1.00 35.52 H new ATOM 1465 N MET A 97 -8.948 -33.594 10.430 1.00 40.41 N ATOM 1466 CA MET A 97 -9.481 -32.319 9.962 1.00 64.33 C ATOM 1467 C MET A 97 -8.890 -31.949 8.605 1.00 51.21 C ATOM 1468 O MET A 97 -7.962 -32.598 8.123 1.00 23.23 O ATOM 1469 CB MET A 97 -9.186 -31.215 10.978 1.00 3.52 C ATOM 1470 CG MET A 97 -7.713 -31.094 11.334 1.00 42.51 C ATOM 1471 SD MET A 97 -7.399 -29.816 12.567 1.00 43.00 S ATOM 1472 CE MET A 97 -6.296 -30.684 13.680 1.00 2.51 C ATOM 0 H MET A 97 -7.942 -33.704 10.300 1.00 40.41 H new ATOM 0 HA MET A 97 -10.561 -32.422 9.853 1.00 64.33 H new ATOM 0 HB2 MET A 97 -9.534 -30.262 10.578 1.00 3.52 H new ATOM 0 HB3 MET A 97 -9.756 -31.407 11.887 1.00 3.52 H new ATOM 0 HG2 MET A 97 -7.354 -32.052 11.710 1.00 42.51 H new ATOM 0 HG3 MET A 97 -7.142 -30.872 10.432 1.00 42.51 H new ATOM 0 HE1 MET A 97 -6.011 -30.023 14.499 1.00 2.51 H new ATOM 0 HE2 MET A 97 -6.801 -31.562 14.081 1.00 2.51 H new ATOM 0 HE3 MET A 97 -5.403 -30.995 13.138 1.00 2.51 H new ATOM 1482 N ASP A 98 -9.434 -30.902 7.994 1.00 73.32 N ATOM 1483 CA ASP A 98 -8.961 -30.445 6.693 1.00 64.34 C ATOM 1484 C ASP A 98 -8.382 -29.037 6.789 1.00 61.01 C ATOM 1485 O ASP A 98 -8.517 -28.370 7.814 1.00 51.43 O ATOM 1486 CB ASP A 98 -10.100 -30.473 5.673 1.00 61.24 C ATOM 1487 CG ASP A 98 -10.346 -31.862 5.117 1.00 23.21 C ATOM 1488 OD1 ASP A 98 -9.823 -32.836 5.699 1.00 5.42 O ATOM 1489 OD2 ASP A 98 -11.062 -31.976 4.101 1.00 60.03 O ATOM 0 H ASP A 98 -10.203 -30.354 8.379 1.00 73.32 H new ATOM 0 HA ASP A 98 -8.172 -31.121 6.363 1.00 64.34 H new ATOM 0 HB2 ASP A 98 -11.013 -30.106 6.142 1.00 61.24 H new ATOM 0 HB3 ASP A 98 -9.867 -29.793 4.854 1.00 61.24 H new ATOM 1494 N GLU A 99 -7.736 -28.593 5.715 1.00 73.11 N ATOM 1495 CA GLU A 99 -7.136 -27.265 5.680 1.00 4.13 C ATOM 1496 C GLU A 99 -7.504 -26.534 4.392 1.00 33.42 C ATOM 1497 O GLU A 99 -7.629 -27.147 3.331 1.00 43.52 O ATOM 1498 CB GLU A 99 -5.614 -27.366 5.805 1.00 41.33 C ATOM 1499 CG GLU A 99 -4.946 -26.056 6.188 1.00 53.44 C ATOM 1500 CD GLU A 99 -3.443 -26.187 6.332 1.00 64.31 C ATOM 1501 OE1 GLU A 99 -2.959 -27.330 6.475 1.00 1.11 O ATOM 1502 OE2 GLU A 99 -2.750 -25.149 6.302 1.00 41.12 O ATOM 0 H GLU A 99 -7.615 -29.133 4.858 1.00 73.11 H new ATOM 0 HA GLU A 99 -7.526 -26.696 6.524 1.00 4.13 H new ATOM 0 HB2 GLU A 99 -5.369 -28.121 6.552 1.00 41.33 H new ATOM 0 HB3 GLU A 99 -5.202 -27.710 4.856 1.00 41.33 H new ATOM 0 HG2 GLU A 99 -5.170 -25.304 5.432 1.00 53.44 H new ATOM 0 HG3 GLU A 99 -5.367 -25.699 7.128 1.00 53.44 H new ATOM 1509 N THR A 100 -7.679 -25.220 4.493 1.00 23.32 N ATOM 1510 CA THR A 100 -8.035 -24.406 3.338 1.00 2.44 C ATOM 1511 C THR A 100 -6.967 -24.493 2.254 1.00 54.03 C ATOM 1512 O THR A 100 -5.817 -24.834 2.528 1.00 63.21 O ATOM 1513 CB THR A 100 -8.231 -22.929 3.732 1.00 75.35 C ATOM 1514 OG1 THR A 100 -8.628 -22.166 2.587 1.00 64.04 O ATOM 1515 CG2 THR A 100 -6.952 -22.350 4.316 1.00 40.23 C ATOM 0 H THR A 100 -7.580 -24.697 5.363 1.00 23.32 H new ATOM 0 HA THR A 100 -8.975 -24.800 2.951 1.00 2.44 H new ATOM 0 HB THR A 100 -9.012 -22.878 4.491 1.00 75.35 H new ATOM 0 HG1 THR A 100 -8.752 -21.229 2.845 1.00 64.04 H new ATOM 0 HG21 THR A 100 -7.115 -21.307 4.586 1.00 40.23 H new ATOM 0 HG22 THR A 100 -6.669 -22.915 5.204 1.00 40.23 H new ATOM 0 HG23 THR A 100 -6.154 -22.413 3.577 1.00 40.23 H new ATOM 1523 N ASP A 101 -7.356 -24.182 1.022 1.00 64.21 N ATOM 1524 CA ASP A 101 -6.431 -24.224 -0.105 1.00 4.12 C ATOM 1525 C ASP A 101 -5.270 -23.257 0.109 1.00 52.02 C ATOM 1526 O ASP A 101 -5.455 -22.154 0.621 1.00 11.42 O ATOM 1527 CB ASP A 101 -7.161 -23.884 -1.405 1.00 32.12 C ATOM 1528 CG ASP A 101 -7.709 -22.471 -1.408 1.00 54.44 C ATOM 1529 OD1 ASP A 101 -6.956 -21.543 -1.771 1.00 52.33 O ATOM 1530 OD2 ASP A 101 -8.892 -22.292 -1.049 1.00 62.43 O ATOM 0 H ASP A 101 -8.305 -23.898 0.779 1.00 64.21 H new ATOM 0 HA ASP A 101 -6.030 -25.235 -0.177 1.00 4.12 H new ATOM 0 HB2 ASP A 101 -6.478 -24.007 -2.245 1.00 32.12 H new ATOM 0 HB3 ASP A 101 -7.979 -24.588 -1.554 1.00 32.12 H new ATOM 1535 N ALA A 102 -4.074 -23.680 -0.287 1.00 1.23 N ATOM 1536 CA ALA A 102 -2.884 -22.851 -0.139 1.00 63.35 C ATOM 1537 C ALA A 102 -2.744 -21.878 -1.305 1.00 74.44 C ATOM 1538 O ALA A 102 -3.565 -21.873 -2.223 1.00 64.23 O ATOM 1539 CB ALA A 102 -1.643 -23.725 -0.027 1.00 51.14 C ATOM 0 H ALA A 102 -3.903 -24.591 -0.712 1.00 1.23 H new ATOM 0 HA ALA A 102 -2.989 -22.268 0.776 1.00 63.35 H new ATOM 0 HB1 ALA A 102 -0.762 -23.093 0.083 1.00 51.14 H new ATOM 0 HB2 ALA A 102 -1.734 -24.376 0.843 1.00 51.14 H new ATOM 0 HB3 ALA A 102 -1.544 -24.333 -0.926 1.00 51.14 H new ATOM 1545 N SER A 103 -1.701 -21.056 -1.262 1.00 54.42 N ATOM 1546 CA SER A 103 -1.457 -20.075 -2.313 1.00 55.23 C ATOM 1547 C SER A 103 -0.007 -20.132 -2.784 1.00 74.31 C ATOM 1548 O SER A 103 0.921 -20.034 -1.982 1.00 65.34 O ATOM 1549 CB SER A 103 -1.788 -18.667 -1.813 1.00 63.21 C ATOM 1550 OG SER A 103 -0.952 -17.700 -2.425 1.00 14.52 O ATOM 0 H SER A 103 -1.011 -21.050 -0.511 1.00 54.42 H new ATOM 0 HA SER A 103 -2.104 -20.315 -3.157 1.00 55.23 H new ATOM 0 HB2 SER A 103 -2.832 -18.438 -2.027 1.00 63.21 H new ATOM 0 HB3 SER A 103 -1.667 -18.624 -0.731 1.00 63.21 H new ATOM 0 HG SER A 103 -1.184 -16.808 -2.091 1.00 14.52 H new ATOM 1556 N SER A 104 0.178 -20.292 -4.091 1.00 20.04 N ATOM 1557 CA SER A 104 1.514 -20.367 -4.670 1.00 3.35 C ATOM 1558 C SER A 104 1.501 -19.916 -6.127 1.00 71.00 C ATOM 1559 O SER A 104 0.461 -19.935 -6.784 1.00 53.43 O ATOM 1560 CB SER A 104 2.057 -21.794 -4.570 1.00 42.41 C ATOM 1561 OG SER A 104 1.162 -22.722 -5.157 1.00 14.01 O ATOM 0 H SER A 104 -0.580 -20.372 -4.768 1.00 20.04 H new ATOM 0 HA SER A 104 2.165 -19.698 -4.107 1.00 3.35 H new ATOM 0 HB2 SER A 104 3.025 -21.854 -5.067 1.00 42.41 H new ATOM 0 HB3 SER A 104 2.219 -22.052 -3.524 1.00 42.41 H new ATOM 0 HG SER A 104 1.532 -23.626 -5.082 1.00 14.01 H new ATOM 1567 N ALA A 105 2.665 -19.511 -6.625 1.00 74.23 N ATOM 1568 CA ALA A 105 2.788 -19.057 -8.005 1.00 24.51 C ATOM 1569 C ALA A 105 4.040 -19.630 -8.661 1.00 4.22 C ATOM 1570 O ALA A 105 4.959 -18.892 -9.019 1.00 14.11 O ATOM 1571 CB ALA A 105 2.809 -17.537 -8.061 1.00 21.14 C ATOM 0 H ALA A 105 3.535 -19.488 -6.094 1.00 74.23 H new ATOM 0 HA ALA A 105 1.921 -19.418 -8.559 1.00 24.51 H new ATOM 0 HB1 ALA A 105 2.901 -17.212 -9.097 1.00 21.14 H new ATOM 0 HB2 ALA A 105 1.884 -17.145 -7.639 1.00 21.14 H new ATOM 0 HB3 ALA A 105 3.657 -17.163 -7.487 1.00 21.14 H new ATOM 1577 N VAL A 106 4.072 -20.950 -8.815 1.00 15.20 N ATOM 1578 CA VAL A 106 5.211 -21.621 -9.428 1.00 62.23 C ATOM 1579 C VAL A 106 4.794 -22.372 -10.688 1.00 0.02 C ATOM 1580 O VAL A 106 3.718 -22.968 -10.742 1.00 12.44 O ATOM 1581 CB VAL A 106 5.873 -22.610 -8.450 1.00 42.21 C ATOM 1582 CG1 VAL A 106 6.338 -21.888 -7.194 1.00 61.24 C ATOM 1583 CG2 VAL A 106 4.914 -23.738 -8.102 1.00 55.24 C ATOM 0 H VAL A 106 3.321 -21.576 -8.523 1.00 15.20 H new ATOM 0 HA VAL A 106 5.930 -20.846 -9.692 1.00 62.23 H new ATOM 0 HB VAL A 106 6.747 -23.044 -8.936 1.00 42.21 H new ATOM 0 HG11 VAL A 106 6.803 -22.602 -6.515 1.00 61.24 H new ATOM 0 HG12 VAL A 106 7.062 -21.119 -7.463 1.00 61.24 H new ATOM 0 HG13 VAL A 106 5.482 -21.425 -6.703 1.00 61.24 H new ATOM 0 HG21 VAL A 106 5.398 -24.427 -7.410 1.00 55.24 H new ATOM 0 HG22 VAL A 106 4.020 -23.324 -7.636 1.00 55.24 H new ATOM 0 HG23 VAL A 106 4.635 -24.272 -9.010 1.00 55.24 H new ATOM 1593 N LYS A 107 5.653 -22.340 -11.701 1.00 23.12 N ATOM 1594 CA LYS A 107 5.376 -23.019 -12.961 1.00 45.12 C ATOM 1595 C LYS A 107 6.618 -23.742 -13.474 1.00 50.41 C ATOM 1596 O LYS A 107 7.411 -23.176 -14.228 1.00 33.55 O ATOM 1597 CB LYS A 107 4.889 -22.015 -14.008 1.00 73.13 C ATOM 1598 CG LYS A 107 3.429 -21.628 -13.846 1.00 71.23 C ATOM 1599 CD LYS A 107 2.504 -22.694 -14.409 1.00 33.20 C ATOM 1600 CE LYS A 107 1.370 -22.079 -15.216 1.00 24.33 C ATOM 1601 NZ LYS A 107 0.143 -22.922 -15.180 1.00 64.44 N ATOM 0 H LYS A 107 6.548 -21.851 -11.674 1.00 23.12 H new ATOM 0 HA LYS A 107 4.594 -23.758 -12.783 1.00 45.12 H new ATOM 0 HB2 LYS A 107 5.503 -21.116 -13.951 1.00 73.13 H new ATOM 0 HB3 LYS A 107 5.036 -22.439 -15.002 1.00 73.13 H new ATOM 0 HG2 LYS A 107 3.208 -21.474 -12.790 1.00 71.23 H new ATOM 0 HG3 LYS A 107 3.244 -20.680 -14.352 1.00 71.23 H new ATOM 0 HD2 LYS A 107 3.074 -23.375 -15.041 1.00 33.20 H new ATOM 0 HD3 LYS A 107 2.091 -23.287 -13.593 1.00 33.20 H new ATOM 0 HE2 LYS A 107 1.141 -21.088 -14.824 1.00 24.33 H new ATOM 0 HE3 LYS A 107 1.690 -21.947 -16.250 1.00 24.33 H new ATOM 0 HZ1 LYS A 107 -0.606 -22.469 -15.741 1.00 64.44 H new ATOM 0 HZ2 LYS A 107 0.354 -23.860 -15.577 1.00 64.44 H new ATOM 0 HZ3 LYS A 107 -0.177 -23.027 -14.196 1.00 64.44 H new ATOM 1615 N VAL A 108 6.780 -24.995 -13.062 1.00 61.00 N ATOM 1616 CA VAL A 108 7.924 -25.796 -13.482 1.00 12.10 C ATOM 1617 C VAL A 108 7.823 -27.220 -12.948 1.00 72.43 C ATOM 1618 O VAL A 108 7.367 -27.445 -11.827 1.00 10.52 O ATOM 1619 CB VAL A 108 9.250 -25.174 -13.006 1.00 11.22 C ATOM 1620 CG1 VAL A 108 9.244 -24.995 -11.495 1.00 61.32 C ATOM 1621 CG2 VAL A 108 10.428 -26.030 -13.445 1.00 72.22 C ATOM 0 H VAL A 108 6.134 -25.478 -12.438 1.00 61.00 H new ATOM 0 HA VAL A 108 7.912 -25.818 -14.572 1.00 12.10 H new ATOM 0 HB VAL A 108 9.355 -24.190 -13.464 1.00 11.22 H new ATOM 0 HG11 VAL A 108 10.189 -24.554 -11.177 1.00 61.32 H new ATOM 0 HG12 VAL A 108 8.423 -24.337 -11.210 1.00 61.32 H new ATOM 0 HG13 VAL A 108 9.116 -25.965 -11.014 1.00 61.32 H new ATOM 0 HG21 VAL A 108 11.357 -25.575 -13.100 1.00 72.22 H new ATOM 0 HG22 VAL A 108 10.332 -27.028 -13.017 1.00 72.22 H new ATOM 0 HG23 VAL A 108 10.441 -26.101 -14.533 1.00 72.22 H new ATOM 1631 N LYS A 109 8.252 -28.182 -13.759 1.00 53.20 N ATOM 1632 CA LYS A 109 8.212 -29.586 -13.369 1.00 60.33 C ATOM 1633 C LYS A 109 8.907 -30.459 -14.409 1.00 25.31 C ATOM 1634 O LYS A 109 9.826 -31.213 -14.086 1.00 74.10 O ATOM 1635 CB LYS A 109 6.764 -30.046 -13.188 1.00 54.14 C ATOM 1636 CG LYS A 109 6.553 -30.926 -11.968 1.00 54.24 C ATOM 1637 CD LYS A 109 5.250 -30.594 -11.260 1.00 50.20 C ATOM 1638 CE LYS A 109 4.060 -31.249 -11.945 1.00 43.21 C ATOM 1639 NZ LYS A 109 2.835 -31.194 -11.101 1.00 31.34 N ATOM 0 H LYS A 109 8.631 -28.014 -14.691 1.00 53.20 H new ATOM 0 HA LYS A 109 8.740 -29.689 -12.421 1.00 60.33 H new ATOM 0 HB2 LYS A 109 6.120 -29.170 -13.109 1.00 54.14 H new ATOM 0 HB3 LYS A 109 6.451 -30.592 -14.078 1.00 54.14 H new ATOM 0 HG2 LYS A 109 6.547 -31.973 -12.270 1.00 54.24 H new ATOM 0 HG3 LYS A 109 7.386 -30.798 -11.277 1.00 54.24 H new ATOM 0 HD2 LYS A 109 5.303 -30.927 -10.223 1.00 50.20 H new ATOM 0 HD3 LYS A 109 5.110 -29.513 -11.241 1.00 50.20 H new ATOM 0 HE2 LYS A 109 3.869 -30.751 -12.896 1.00 43.21 H new ATOM 0 HE3 LYS A 109 4.298 -32.288 -12.172 1.00 43.21 H new ATOM 0 HZ1 LYS A 109 2.047 -31.651 -11.603 1.00 31.34 H new ATOM 0 HZ2 LYS A 109 3.009 -31.691 -10.204 1.00 31.34 H new ATOM 0 HZ3 LYS A 109 2.592 -30.202 -10.905 1.00 31.34 H new ATOM 1653 N ARG A 110 8.465 -30.351 -15.657 1.00 50.04 N ATOM 1654 CA ARG A 110 9.046 -31.130 -16.744 1.00 75.51 C ATOM 1655 C ARG A 110 8.640 -32.598 -16.637 1.00 43.34 C ATOM 1656 O ARG A 110 7.879 -33.103 -17.461 1.00 72.15 O ATOM 1657 CB ARG A 110 10.570 -31.009 -16.729 1.00 64.12 C ATOM 1658 CG ARG A 110 11.217 -31.290 -18.076 1.00 31.12 C ATOM 1659 CD ARG A 110 11.089 -30.100 -19.014 1.00 62.32 C ATOM 1660 NE ARG A 110 11.602 -30.398 -20.349 1.00 30.32 N ATOM 1661 CZ ARG A 110 11.381 -29.630 -21.409 1.00 45.54 C ATOM 1662 NH1 ARG A 110 10.662 -28.522 -21.292 1.00 33.34 N ATOM 1663 NH2 ARG A 110 11.882 -29.968 -22.591 1.00 11.41 N ATOM 0 H ARG A 110 7.706 -29.731 -15.941 1.00 50.04 H new ATOM 0 HA ARG A 110 8.667 -30.733 -17.686 1.00 75.51 H new ATOM 0 HB2 ARG A 110 10.843 -30.004 -16.407 1.00 64.12 H new ATOM 0 HB3 ARG A 110 10.974 -31.701 -15.990 1.00 64.12 H new ATOM 0 HG2 ARG A 110 12.271 -31.530 -17.932 1.00 31.12 H new ATOM 0 HG3 ARG A 110 10.750 -32.164 -18.530 1.00 31.12 H new ATOM 0 HD2 ARG A 110 10.042 -29.806 -19.085 1.00 62.32 H new ATOM 0 HD3 ARG A 110 11.631 -29.251 -18.598 1.00 62.32 H new ATOM 0 HE ARG A 110 12.161 -31.242 -20.473 1.00 30.32 H new ATOM 0 HH11 ARG A 110 10.277 -28.257 -20.385 1.00 33.34 H new ATOM 0 HH12 ARG A 110 10.494 -27.934 -22.109 1.00 33.34 H new ATOM 0 HH21 ARG A 110 12.437 -30.818 -22.685 1.00 11.41 H new ATOM 0 HH22 ARG A 110 11.712 -29.377 -23.405 1.00 11.41 H new ATOM 1677 N ALA A 111 9.155 -33.276 -15.617 1.00 3.20 N ATOM 1678 CA ALA A 111 8.846 -34.684 -15.402 1.00 2.13 C ATOM 1679 C ALA A 111 9.207 -35.519 -16.626 1.00 1.42 C ATOM 1680 O ALA A 111 9.815 -35.019 -17.573 1.00 33.40 O ATOM 1681 CB ALA A 111 7.373 -34.855 -15.060 1.00 5.44 C ATOM 0 H ALA A 111 9.788 -32.873 -14.926 1.00 3.20 H new ATOM 0 HA ALA A 111 9.446 -35.038 -14.564 1.00 2.13 H new ATOM 0 HB1 ALA A 111 7.156 -35.912 -14.902 1.00 5.44 H new ATOM 0 HB2 ALA A 111 7.143 -34.298 -14.152 1.00 5.44 H new ATOM 0 HB3 ALA A 111 6.763 -34.478 -15.881 1.00 5.44 H new ATOM 1687 N VAL A 112 8.830 -36.793 -16.600 1.00 13.13 N ATOM 1688 CA VAL A 112 9.113 -37.697 -17.708 1.00 24.13 C ATOM 1689 C VAL A 112 7.934 -38.626 -17.975 1.00 41.41 C ATOM 1690 O VAL A 112 6.902 -38.539 -17.311 1.00 75.51 O ATOM 1691 CB VAL A 112 10.369 -38.546 -17.432 1.00 53.11 C ATOM 1692 CG1 VAL A 112 11.584 -37.653 -17.235 1.00 24.20 C ATOM 1693 CG2 VAL A 112 10.151 -39.440 -16.221 1.00 5.03 C ATOM 0 H VAL A 112 8.328 -37.223 -15.823 1.00 13.13 H new ATOM 0 HA VAL A 112 9.288 -37.076 -18.586 1.00 24.13 H new ATOM 0 HB VAL A 112 10.554 -39.183 -18.297 1.00 53.11 H new ATOM 0 HG11 VAL A 112 12.461 -38.270 -17.041 1.00 24.20 H new ATOM 0 HG12 VAL A 112 11.749 -37.060 -18.134 1.00 24.20 H new ATOM 0 HG13 VAL A 112 11.414 -36.988 -16.388 1.00 24.20 H new ATOM 0 HG21 VAL A 112 11.048 -40.033 -16.040 1.00 5.03 H new ATOM 0 HG22 VAL A 112 9.941 -38.824 -15.347 1.00 5.03 H new ATOM 0 HG23 VAL A 112 9.308 -40.105 -16.407 1.00 5.03 H new ATOM 1703 N GLN A 113 8.096 -39.513 -18.951 1.00 41.13 N ATOM 1704 CA GLN A 113 7.044 -40.458 -19.306 1.00 51.24 C ATOM 1705 C GLN A 113 7.295 -41.819 -18.665 1.00 41.50 C ATOM 1706 O GLN A 113 8.421 -42.316 -18.659 1.00 63.04 O ATOM 1707 CB GLN A 113 6.954 -40.606 -20.826 1.00 40.12 C ATOM 1708 CG GLN A 113 5.539 -40.482 -21.367 1.00 13.51 C ATOM 1709 CD GLN A 113 4.872 -39.181 -20.964 1.00 44.34 C ATOM 1710 OE1 GLN A 113 5.214 -38.112 -21.471 1.00 43.13 O ATOM 1711 NE2 GLN A 113 3.915 -39.264 -20.048 1.00 72.53 N ATOM 0 H GLN A 113 8.945 -39.597 -19.510 1.00 41.13 H new ATOM 0 HA GLN A 113 6.098 -40.068 -18.929 1.00 51.24 H new ATOM 0 HB2 GLN A 113 7.581 -39.847 -21.294 1.00 40.12 H new ATOM 0 HB3 GLN A 113 7.360 -41.576 -21.113 1.00 40.12 H new ATOM 0 HG2 GLN A 113 5.562 -40.552 -22.454 1.00 13.51 H new ATOM 0 HG3 GLN A 113 4.941 -41.319 -21.006 1.00 13.51 H new ATOM 0 HE21 GLN A 113 3.663 -40.171 -19.654 1.00 72.53 H new ATOM 0 HE22 GLN A 113 3.431 -38.421 -19.738 1.00 72.53 H new ATOM 1720 N LYS A 114 6.239 -42.416 -18.125 1.00 33.35 N ATOM 1721 CA LYS A 114 6.343 -43.720 -17.481 1.00 21.33 C ATOM 1722 C LYS A 114 6.363 -44.839 -18.517 1.00 44.05 C ATOM 1723 O LYS A 114 7.429 -45.304 -18.922 1.00 21.41 O ATOM 1724 CB LYS A 114 5.176 -43.929 -16.513 1.00 3.14 C ATOM 1725 CG LYS A 114 5.180 -42.965 -15.339 1.00 0.21 C ATOM 1726 CD LYS A 114 4.026 -43.238 -14.389 1.00 71.21 C ATOM 1727 CE LYS A 114 4.320 -44.423 -13.481 1.00 53.24 C ATOM 1728 NZ LYS A 114 3.126 -44.821 -12.685 1.00 0.20 N ATOM 0 H LYS A 114 5.300 -42.017 -18.120 1.00 33.35 H new ATOM 0 HA LYS A 114 7.279 -43.747 -16.924 1.00 21.33 H new ATOM 0 HB2 LYS A 114 4.239 -43.820 -17.058 1.00 3.14 H new ATOM 0 HB3 LYS A 114 5.208 -44.950 -16.134 1.00 3.14 H new ATOM 0 HG2 LYS A 114 6.124 -43.050 -14.800 1.00 0.21 H new ATOM 0 HG3 LYS A 114 5.115 -41.941 -15.707 1.00 0.21 H new ATOM 0 HD2 LYS A 114 3.835 -42.352 -13.783 1.00 71.21 H new ATOM 0 HD3 LYS A 114 3.120 -43.433 -14.962 1.00 71.21 H new ATOM 0 HE2 LYS A 114 4.653 -45.268 -14.083 1.00 53.24 H new ATOM 0 HE3 LYS A 114 5.138 -44.170 -12.807 1.00 53.24 H new ATOM 0 HZ1 LYS A 114 3.367 -45.631 -12.079 1.00 0.20 H new ATOM 0 HZ2 LYS A 114 2.823 -44.023 -12.091 1.00 0.20 H new ATOM 0 HZ3 LYS A 114 2.353 -45.087 -13.328 1.00 0.20 H new TER 1742 LYS A 114