USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 SER OG : rot -150:sc= -0.588 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 164:sc= 0.0376 (180deg=0.0114) USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= 0.454 F(o=-0.65,f=0.98) USER MOD Set 2.2: A 32 GLN : amide:sc= 0.53 K(o=0.98,f=-0.35) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.0457 (180deg=-0.587) USER MOD Single : A 3 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 4 ASN : amide:sc= 0.0945 K(o=0.095,f=-3!) USER MOD Single : A 6 GLN : amide:sc= -1.92 K(o=-1.9,f=-2.5) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -120:sc= -3.57! (180deg=-7.97!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -67:sc= 1.18 USER MOD Single : A 25 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.391 USER MOD Single : A 37 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 46 THR OG1 : rot -67:sc= 1.21 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.346 USER MOD Single : A 51 ASN : amide:sc= -1.97 K(o=-2,f=-6.2!) USER MOD Single : A 53 CYS SG : rot 140:sc= -0.851 USER MOD Single : A 57 THR OG1 : rot -111:sc= -1.02 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.0356 X(o=0.036,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -99:sc= 1.24 USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= -0.18 (180deg=-2.41!) USER MOD Single : A 83 MET CE :methyl 158:sc= -1.15 (180deg=-2.59!) USER MOD Single : A 85 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.3!) USER MOD Single : A 86 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.9!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.55) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -78:sc= 0.767 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.551 F(o=-1.1,f=-0.55) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.353 0.122 -2.887 1.00 61.41 N ATOM 2 CA MET A 1 1.684 1.541 -2.824 1.00 72.50 C ATOM 3 C MET A 1 2.601 1.833 -1.641 1.00 32.14 C ATOM 4 O MET A 1 2.260 1.546 -0.493 1.00 54.02 O ATOM 5 CB MET A 1 0.409 2.379 -2.716 1.00 33.15 C ATOM 6 CG MET A 1 -0.558 2.166 -3.869 1.00 15.13 C ATOM 7 SD MET A 1 -2.208 1.696 -3.314 1.00 14.22 S ATOM 8 CE MET A 1 -3.101 3.227 -3.571 1.00 52.53 C ATOM 0 H1 MET A 1 1.176 -0.150 -3.875 1.00 61.41 H new ATOM 0 H2 MET A 1 2.146 -0.436 -2.511 1.00 61.41 H new ATOM 0 H3 MET A 1 0.501 -0.061 -2.320 1.00 61.41 H new ATOM 0 HA MET A 1 2.209 1.808 -3.741 1.00 72.50 H new ATOM 0 HB2 MET A 1 -0.096 2.139 -1.780 1.00 33.15 H new ATOM 0 HB3 MET A 1 0.680 3.434 -2.670 1.00 33.15 H new ATOM 0 HG2 MET A 1 -0.624 3.082 -4.457 1.00 15.13 H new ATOM 0 HG3 MET A 1 -0.166 1.391 -4.528 1.00 15.13 H new ATOM 0 HE1 MET A 1 -4.141 3.096 -3.273 1.00 52.53 H new ATOM 0 HE2 MET A 1 -2.648 4.017 -2.972 1.00 52.53 H new ATOM 0 HE3 MET A 1 -3.058 3.501 -4.625 1.00 52.53 H new ATOM 18 N SER A 2 3.766 2.405 -1.927 1.00 72.15 N ATOM 19 CA SER A 2 4.734 2.732 -0.887 1.00 15.21 C ATOM 20 C SER A 2 4.187 3.811 0.043 1.00 21.03 C ATOM 21 O SER A 2 3.041 4.238 -0.091 1.00 51.23 O ATOM 22 CB SER A 2 6.048 3.201 -1.513 1.00 25.21 C ATOM 23 OG SER A 2 6.790 2.106 -2.022 1.00 73.40 O ATOM 0 H SER A 2 4.063 2.652 -2.871 1.00 72.15 H new ATOM 0 HA SER A 2 4.920 1.832 -0.302 1.00 15.21 H new ATOM 0 HB2 SER A 2 5.840 3.908 -2.316 1.00 25.21 H new ATOM 0 HB3 SER A 2 6.641 3.731 -0.767 1.00 25.21 H new ATOM 0 HG SER A 2 7.748 2.309 -1.973 1.00 73.40 H new ATOM 29 N GLN A 3 5.016 4.246 0.986 1.00 25.14 N ATOM 30 CA GLN A 3 4.617 5.274 1.940 1.00 54.23 C ATOM 31 C GLN A 3 5.166 6.637 1.532 1.00 11.43 C ATOM 32 O GLN A 3 6.375 6.812 1.388 1.00 50.04 O ATOM 33 CB GLN A 3 5.103 4.914 3.344 1.00 4.04 C ATOM 34 CG GLN A 3 4.017 4.995 4.404 1.00 14.23 C ATOM 35 CD GLN A 3 3.282 6.321 4.387 1.00 42.32 C ATOM 36 OE1 GLN A 3 2.063 6.367 4.218 1.00 64.13 O ATOM 37 NE2 GLN A 3 4.022 7.410 4.562 1.00 13.21 N ATOM 0 H GLN A 3 5.968 3.903 1.110 1.00 25.14 H new ATOM 0 HA GLN A 3 3.528 5.327 1.944 1.00 54.23 H new ATOM 0 HB2 GLN A 3 5.511 3.903 3.330 1.00 4.04 H new ATOM 0 HB3 GLN A 3 5.918 5.583 3.620 1.00 4.04 H new ATOM 0 HG2 GLN A 3 3.303 4.186 4.249 1.00 14.23 H new ATOM 0 HG3 GLN A 3 4.462 4.843 5.387 1.00 14.23 H new ATOM 0 HE21 GLN A 3 5.029 7.326 4.699 1.00 13.21 H new ATOM 0 HE22 GLN A 3 3.583 8.331 4.560 1.00 13.21 H new ATOM 46 N ASN A 4 4.269 7.600 1.348 1.00 14.55 N ATOM 47 CA ASN A 4 4.664 8.949 0.957 1.00 73.54 C ATOM 48 C ASN A 4 5.341 9.675 2.115 1.00 51.24 C ATOM 49 O ASN A 4 4.717 10.481 2.805 1.00 52.10 O ATOM 50 CB ASN A 4 3.444 9.743 0.485 1.00 63.14 C ATOM 51 CG ASN A 4 2.284 9.652 1.456 1.00 13.45 C ATOM 52 OD1 ASN A 4 1.660 8.601 1.599 1.00 32.33 O ATOM 53 ND2 ASN A 4 1.989 10.758 2.130 1.00 12.03 N ATOM 0 H ASN A 4 3.264 7.472 1.463 1.00 14.55 H new ATOM 0 HA ASN A 4 5.377 8.869 0.136 1.00 73.54 H new ATOM 0 HB2 ASN A 4 3.723 10.788 0.354 1.00 63.14 H new ATOM 0 HB3 ASN A 4 3.128 9.372 -0.490 1.00 63.14 H new ATOM 0 HD21 ASN A 4 1.218 10.758 2.798 1.00 12.03 H new ATOM 0 HD22 ASN A 4 2.533 11.607 1.980 1.00 12.03 H new ATOM 60 N ARG A 5 6.621 9.385 2.321 1.00 63.34 N ATOM 61 CA ARG A 5 7.383 10.010 3.395 1.00 63.40 C ATOM 62 C ARG A 5 8.883 9.866 3.153 1.00 71.32 C ATOM 63 O ARG A 5 9.553 10.824 2.769 1.00 25.33 O ATOM 64 CB ARG A 5 7.011 9.387 4.742 1.00 63.01 C ATOM 65 CG ARG A 5 7.732 10.016 5.923 1.00 20.53 C ATOM 66 CD ARG A 5 7.350 9.342 7.232 1.00 73.42 C ATOM 67 NE ARG A 5 5.965 9.616 7.604 1.00 35.15 N ATOM 68 CZ ARG A 5 5.390 9.136 8.702 1.00 41.40 C ATOM 69 NH1 ARG A 5 6.078 8.363 9.531 1.00 50.14 N ATOM 70 NH2 ARG A 5 4.125 9.431 8.973 1.00 71.22 N ATOM 0 H ARG A 5 7.152 8.721 1.758 1.00 63.34 H new ATOM 0 HA ARG A 5 7.135 11.071 3.412 1.00 63.40 H new ATOM 0 HB2 ARG A 5 5.935 9.481 4.892 1.00 63.01 H new ATOM 0 HB3 ARG A 5 7.237 8.321 4.715 1.00 63.01 H new ATOM 0 HG2 ARG A 5 8.809 9.941 5.775 1.00 20.53 H new ATOM 0 HG3 ARG A 5 7.490 11.078 5.975 1.00 20.53 H new ATOM 0 HD2 ARG A 5 7.495 8.265 7.141 1.00 73.42 H new ATOM 0 HD3 ARG A 5 8.014 9.687 8.025 1.00 73.42 H new ATOM 0 HE ARG A 5 5.408 10.208 6.988 1.00 35.15 H new ATOM 0 HH11 ARG A 5 7.051 8.135 9.327 1.00 50.14 H new ATOM 0 HH12 ARG A 5 5.634 7.996 10.373 1.00 50.14 H new ATOM 0 HH21 ARG A 5 3.593 10.027 8.338 1.00 71.22 H new ATOM 0 HH22 ARG A 5 3.685 9.062 9.816 1.00 71.22 H new ATOM 84 N GLN A 6 9.401 8.663 3.380 1.00 1.12 N ATOM 85 CA GLN A 6 10.821 8.395 3.188 1.00 64.03 C ATOM 86 C GLN A 6 11.030 7.098 2.413 1.00 45.34 C ATOM 87 O GLN A 6 10.182 6.206 2.434 1.00 15.00 O ATOM 88 CB GLN A 6 11.535 8.316 4.539 1.00 53.34 C ATOM 89 CG GLN A 6 11.485 6.936 5.173 1.00 22.22 C ATOM 90 CD GLN A 6 10.068 6.451 5.407 1.00 52.41 C ATOM 91 OE1 GLN A 6 9.241 7.166 5.973 1.00 14.34 O ATOM 92 NE2 GLN A 6 9.780 5.231 4.971 1.00 75.25 N ATOM 0 H GLN A 6 8.859 7.859 3.697 1.00 1.12 H new ATOM 0 HA GLN A 6 11.244 9.216 2.609 1.00 64.03 H new ATOM 0 HB2 GLN A 6 12.577 8.609 4.408 1.00 53.34 H new ATOM 0 HB3 GLN A 6 11.085 9.037 5.221 1.00 53.34 H new ATOM 0 HG2 GLN A 6 12.006 6.226 4.530 1.00 22.22 H new ATOM 0 HG3 GLN A 6 12.019 6.957 6.123 1.00 22.22 H new ATOM 0 HE21 GLN A 6 10.497 4.673 4.507 1.00 75.25 H new ATOM 0 HE22 GLN A 6 8.842 4.852 5.100 1.00 75.25 H new ATOM 101 N LEU A 7 12.165 7.000 1.729 1.00 51.35 N ATOM 102 CA LEU A 7 12.486 5.812 0.945 1.00 10.05 C ATOM 103 C LEU A 7 13.658 5.055 1.561 1.00 63.31 C ATOM 104 O LEU A 7 14.782 5.557 1.603 1.00 23.21 O ATOM 105 CB LEU A 7 12.816 6.201 -0.497 1.00 1.24 C ATOM 106 CG LEU A 7 11.667 6.097 -1.500 1.00 12.13 C ATOM 107 CD1 LEU A 7 11.515 4.666 -1.991 1.00 32.34 C ATOM 108 CD2 LEU A 7 10.369 6.590 -0.877 1.00 32.12 C ATOM 0 H LEU A 7 12.878 7.729 1.701 1.00 51.35 H new ATOM 0 HA LEU A 7 11.613 5.159 0.947 1.00 10.05 H new ATOM 0 HB2 LEU A 7 13.183 7.227 -0.500 1.00 1.24 H new ATOM 0 HB3 LEU A 7 13.633 5.569 -0.845 1.00 1.24 H new ATOM 0 HG LEU A 7 11.899 6.730 -2.356 1.00 12.13 H new ATOM 0 HD11 LEU A 7 10.692 4.611 -2.704 1.00 32.34 H new ATOM 0 HD12 LEU A 7 12.438 4.348 -2.476 1.00 32.34 H new ATOM 0 HD13 LEU A 7 11.306 4.011 -1.145 1.00 32.34 H new ATOM 0 HD21 LEU A 7 9.562 6.509 -1.605 1.00 32.12 H new ATOM 0 HD22 LEU A 7 10.132 5.984 -0.003 1.00 32.12 H new ATOM 0 HD23 LEU A 7 10.482 7.631 -0.576 1.00 32.12 H new ATOM 120 N LEU A 8 13.390 3.843 2.035 1.00 14.32 N ATOM 121 CA LEU A 8 14.423 3.015 2.647 1.00 72.54 C ATOM 122 C LEU A 8 15.636 2.892 1.730 1.00 11.21 C ATOM 123 O LEU A 8 16.694 3.458 2.005 1.00 23.15 O ATOM 124 CB LEU A 8 13.868 1.625 2.965 1.00 53.11 C ATOM 125 CG LEU A 8 13.891 1.214 4.438 1.00 52.34 C ATOM 126 CD1 LEU A 8 12.906 2.050 5.241 1.00 44.45 C ATOM 127 CD2 LEU A 8 13.577 -0.268 4.583 1.00 44.31 C ATOM 0 H LEU A 8 12.466 3.412 2.007 1.00 14.32 H new ATOM 0 HA LEU A 8 14.737 3.495 3.574 1.00 72.54 H new ATOM 0 HB2 LEU A 8 12.838 1.577 2.611 1.00 53.11 H new ATOM 0 HB3 LEU A 8 14.435 0.890 2.394 1.00 53.11 H new ATOM 0 HG LEU A 8 14.892 1.393 4.830 1.00 52.34 H new ATOM 0 HD11 LEU A 8 12.936 1.743 6.287 1.00 44.45 H new ATOM 0 HD12 LEU A 8 13.175 3.103 5.164 1.00 44.45 H new ATOM 0 HD13 LEU A 8 11.900 1.903 4.849 1.00 44.45 H new ATOM 0 HD21 LEU A 8 13.598 -0.543 5.638 1.00 44.31 H new ATOM 0 HD22 LEU A 8 12.587 -0.472 4.174 1.00 44.31 H new ATOM 0 HD23 LEU A 8 14.321 -0.852 4.041 1.00 44.31 H new ATOM 139 N TYR A 9 15.474 2.152 0.639 1.00 41.20 N ATOM 140 CA TYR A 9 16.556 1.956 -0.319 1.00 20.55 C ATOM 141 C TYR A 9 16.050 1.254 -1.575 1.00 64.33 C ATOM 142 O TYR A 9 16.236 0.051 -1.763 1.00 41.23 O ATOM 143 CB TYR A 9 17.684 1.140 0.315 1.00 4.24 C ATOM 144 CG TYR A 9 17.196 0.017 1.202 1.00 74.13 C ATOM 145 CD1 TYR A 9 16.933 0.233 2.549 1.00 61.10 C ATOM 146 CD2 TYR A 9 16.997 -1.260 0.692 1.00 24.44 C ATOM 147 CE1 TYR A 9 16.487 -0.790 3.363 1.00 61.42 C ATOM 148 CE2 TYR A 9 16.550 -2.289 1.498 1.00 23.34 C ATOM 149 CZ TYR A 9 16.297 -2.050 2.833 1.00 53.52 C ATOM 150 OH TYR A 9 15.853 -3.072 3.639 1.00 34.23 O ATOM 0 H TYR A 9 14.604 1.678 0.396 1.00 41.20 H new ATOM 0 HA TYR A 9 16.940 2.936 -0.602 1.00 20.55 H new ATOM 0 HB2 TYR A 9 18.307 0.722 -0.476 1.00 4.24 H new ATOM 0 HB3 TYR A 9 18.317 1.806 0.902 1.00 4.24 H new ATOM 0 HD1 TYR A 9 17.080 1.218 2.967 1.00 61.10 H new ATOM 0 HD2 TYR A 9 17.195 -1.451 -0.352 1.00 24.44 H new ATOM 0 HE1 TYR A 9 16.288 -0.605 4.408 1.00 61.42 H new ATOM 0 HE2 TYR A 9 16.399 -3.276 1.085 1.00 23.34 H new ATOM 0 HH TYR A 9 15.771 -3.893 3.111 1.00 34.23 H new ATOM 160 N PRO A 10 15.396 2.022 -2.458 1.00 54.50 N ATOM 161 CA PRO A 10 14.850 1.498 -3.713 1.00 62.54 C ATOM 162 C PRO A 10 15.943 1.118 -4.706 1.00 63.15 C ATOM 163 O PRO A 10 16.733 1.963 -5.128 1.00 1.13 O ATOM 164 CB PRO A 10 14.018 2.663 -4.254 1.00 3.34 C ATOM 165 CG PRO A 10 14.636 3.879 -3.654 1.00 51.30 C ATOM 166 CD PRO A 10 15.138 3.463 -2.299 1.00 13.51 C ATOM 0 HA PRO A 10 14.277 0.584 -3.557 1.00 62.54 H new ATOM 0 HB2 PRO A 10 14.048 2.699 -5.343 1.00 3.34 H new ATOM 0 HB3 PRO A 10 12.971 2.568 -3.967 1.00 3.34 H new ATOM 0 HG2 PRO A 10 15.451 4.249 -4.275 1.00 51.30 H new ATOM 0 HG3 PRO A 10 13.908 4.686 -3.570 1.00 51.30 H new ATOM 0 HD2 PRO A 10 16.042 4.005 -2.022 1.00 13.51 H new ATOM 0 HD3 PRO A 10 14.400 3.656 -1.521 1.00 13.51 H new ATOM 174 N ARG A 11 15.983 -0.158 -5.077 1.00 13.20 N ATOM 175 CA ARG A 11 16.980 -0.649 -6.020 1.00 52.14 C ATOM 176 C ARG A 11 16.823 -2.150 -6.245 1.00 53.01 C ATOM 177 O ARG A 11 17.069 -2.652 -7.341 1.00 51.34 O ATOM 178 CB ARG A 11 18.389 -0.344 -5.510 1.00 44.44 C ATOM 179 CG ARG A 11 18.562 -0.581 -4.019 1.00 64.42 C ATOM 180 CD ARG A 11 19.856 -1.323 -3.720 1.00 34.33 C ATOM 181 NE ARG A 11 19.718 -2.224 -2.578 1.00 43.22 N ATOM 182 CZ ARG A 11 20.749 -2.691 -1.883 1.00 20.41 C ATOM 183 NH1 ARG A 11 21.986 -2.345 -2.211 1.00 1.01 N ATOM 184 NH2 ARG A 11 20.543 -3.507 -0.857 1.00 3.14 N ATOM 0 H ARG A 11 15.336 -0.870 -4.738 1.00 13.20 H new ATOM 0 HA ARG A 11 16.827 -0.138 -6.971 1.00 52.14 H new ATOM 0 HB2 ARG A 11 19.104 -0.962 -6.053 1.00 44.44 H new ATOM 0 HB3 ARG A 11 18.630 0.695 -5.734 1.00 44.44 H new ATOM 0 HG2 ARG A 11 18.560 0.375 -3.495 1.00 64.42 H new ATOM 0 HG3 ARG A 11 17.716 -1.155 -3.640 1.00 64.42 H new ATOM 0 HD2 ARG A 11 20.158 -1.894 -4.598 1.00 34.33 H new ATOM 0 HD3 ARG A 11 20.649 -0.603 -3.520 1.00 34.33 H new ATOM 0 HE ARG A 11 18.779 -2.510 -2.300 1.00 43.22 H new ATOM 0 HH11 ARG A 11 22.148 -1.718 -2.999 1.00 1.01 H new ATOM 0 HH12 ARG A 11 22.775 -2.705 -1.675 1.00 1.01 H new ATOM 0 HH21 ARG A 11 19.593 -3.776 -0.602 1.00 3.14 H new ATOM 0 HH22 ARG A 11 21.335 -3.865 -0.323 1.00 3.14 H new ATOM 198 N GLU A 12 16.412 -2.860 -5.199 1.00 71.11 N ATOM 199 CA GLU A 12 16.224 -4.304 -5.283 1.00 12.40 C ATOM 200 C GLU A 12 15.319 -4.667 -6.457 1.00 34.05 C ATOM 201 O GLU A 12 15.437 -5.748 -7.033 1.00 41.40 O ATOM 202 CB GLU A 12 15.627 -4.839 -3.980 1.00 22.23 C ATOM 203 CG GLU A 12 15.534 -6.355 -3.931 1.00 11.03 C ATOM 204 CD GLU A 12 16.846 -7.008 -3.541 1.00 14.15 C ATOM 205 OE1 GLU A 12 17.501 -6.509 -2.602 1.00 62.40 O ATOM 206 OE2 GLU A 12 17.216 -8.018 -4.174 1.00 62.34 O ATOM 0 H GLU A 12 16.203 -2.460 -4.284 1.00 71.11 H new ATOM 0 HA GLU A 12 17.199 -4.763 -5.443 1.00 12.40 H new ATOM 0 HB2 GLU A 12 16.234 -4.493 -3.143 1.00 22.23 H new ATOM 0 HB3 GLU A 12 14.631 -4.418 -3.847 1.00 22.23 H new ATOM 0 HG2 GLU A 12 14.762 -6.645 -3.218 1.00 11.03 H new ATOM 0 HG3 GLU A 12 15.223 -6.728 -4.907 1.00 11.03 H new ATOM 213 N GLU A 13 14.414 -3.756 -6.803 1.00 65.12 N ATOM 214 CA GLU A 13 13.488 -3.981 -7.907 1.00 23.43 C ATOM 215 C GLU A 13 14.127 -3.601 -9.239 1.00 61.24 C ATOM 216 O GLU A 13 13.866 -4.228 -10.266 1.00 11.22 O ATOM 217 CB GLU A 13 12.204 -3.177 -7.696 1.00 50.22 C ATOM 218 CG GLU A 13 12.404 -1.674 -7.797 1.00 10.14 C ATOM 219 CD GLU A 13 11.155 -0.894 -7.434 1.00 3.31 C ATOM 220 OE1 GLU A 13 10.264 -0.763 -8.299 1.00 25.01 O ATOM 221 OE2 GLU A 13 11.069 -0.414 -6.284 1.00 24.01 O ATOM 0 H GLU A 13 14.303 -2.856 -6.335 1.00 65.12 H new ATOM 0 HA GLU A 13 13.243 -5.043 -7.932 1.00 23.43 H new ATOM 0 HB2 GLU A 13 11.465 -3.487 -8.435 1.00 50.22 H new ATOM 0 HB3 GLU A 13 11.793 -3.415 -6.715 1.00 50.22 H new ATOM 0 HG2 GLU A 13 13.219 -1.375 -7.138 1.00 10.14 H new ATOM 0 HG3 GLU A 13 12.705 -1.419 -8.813 1.00 10.14 H new ATOM 228 N MET A 14 14.965 -2.570 -9.214 1.00 51.14 N ATOM 229 CA MET A 14 15.642 -2.106 -10.420 1.00 74.11 C ATOM 230 C MET A 14 16.342 -3.261 -11.128 1.00 65.05 C ATOM 231 O MET A 14 16.109 -3.510 -12.311 1.00 72.41 O ATOM 232 CB MET A 14 16.656 -1.014 -10.074 1.00 33.35 C ATOM 233 CG MET A 14 17.224 -0.304 -11.291 1.00 61.24 C ATOM 234 SD MET A 14 18.644 -1.163 -11.997 1.00 33.43 S ATOM 235 CE MET A 14 19.782 -1.127 -10.615 1.00 23.35 C ATOM 0 H MET A 14 15.192 -2.040 -8.373 1.00 51.14 H new ATOM 0 HA MET A 14 14.890 -1.693 -11.093 1.00 74.11 H new ATOM 0 HB2 MET A 14 16.179 -0.280 -9.425 1.00 33.35 H new ATOM 0 HB3 MET A 14 17.475 -1.457 -9.507 1.00 33.35 H new ATOM 0 HG2 MET A 14 16.446 -0.212 -12.049 1.00 61.24 H new ATOM 0 HG3 MET A 14 17.518 0.708 -11.012 1.00 61.24 H new ATOM 0 HE1 MET A 14 20.688 -0.595 -10.904 1.00 23.35 H new ATOM 0 HE2 MET A 14 19.315 -0.618 -9.772 1.00 23.35 H new ATOM 0 HE3 MET A 14 20.037 -2.147 -10.327 1.00 23.35 H new ATOM 245 N VAL A 15 17.203 -3.963 -10.398 1.00 1.22 N ATOM 246 CA VAL A 15 17.937 -5.092 -10.956 1.00 43.13 C ATOM 247 C VAL A 15 16.989 -6.113 -11.573 1.00 74.50 C ATOM 248 O VAL A 15 17.343 -6.809 -12.525 1.00 35.11 O ATOM 249 CB VAL A 15 18.797 -5.788 -9.884 1.00 41.34 C ATOM 250 CG1 VAL A 15 19.763 -4.799 -9.250 1.00 1.22 C ATOM 251 CG2 VAL A 15 17.912 -6.433 -8.829 1.00 23.51 C ATOM 0 H VAL A 15 17.409 -3.769 -9.418 1.00 1.22 H new ATOM 0 HA VAL A 15 18.590 -4.692 -11.732 1.00 43.13 H new ATOM 0 HB VAL A 15 19.382 -6.573 -10.364 1.00 41.34 H new ATOM 0 HG11 VAL A 15 20.362 -5.308 -8.495 1.00 1.22 H new ATOM 0 HG12 VAL A 15 20.419 -4.388 -10.017 1.00 1.22 H new ATOM 0 HG13 VAL A 15 19.201 -3.991 -8.782 1.00 1.22 H new ATOM 0 HG21 VAL A 15 18.536 -6.920 -8.079 1.00 23.51 H new ATOM 0 HG22 VAL A 15 17.300 -5.668 -8.351 1.00 23.51 H new ATOM 0 HG23 VAL A 15 17.265 -7.173 -9.300 1.00 23.51 H new ATOM 261 N SER A 16 15.781 -6.198 -11.024 1.00 71.13 N ATOM 262 CA SER A 16 14.781 -7.137 -11.518 1.00 70.54 C ATOM 263 C SER A 16 14.465 -6.872 -12.987 1.00 41.02 C ATOM 264 O SER A 16 14.551 -7.771 -13.825 1.00 50.43 O ATOM 265 CB SER A 16 13.502 -7.039 -10.684 1.00 63.52 C ATOM 266 OG SER A 16 13.002 -8.326 -10.364 1.00 24.21 O ATOM 0 H SER A 16 15.471 -5.628 -10.237 1.00 71.13 H new ATOM 0 HA SER A 16 15.189 -8.144 -11.428 1.00 70.54 H new ATOM 0 HB2 SER A 16 13.704 -6.485 -9.767 1.00 63.52 H new ATOM 0 HB3 SER A 16 12.747 -6.479 -11.235 1.00 63.52 H new ATOM 0 HG SER A 16 12.186 -8.236 -9.829 1.00 24.21 H new ATOM 272 N LEU A 17 14.099 -5.632 -13.292 1.00 42.11 N ATOM 273 CA LEU A 17 13.770 -5.246 -14.660 1.00 11.21 C ATOM 274 C LEU A 17 14.919 -5.570 -15.609 1.00 21.21 C ATOM 275 O LEU A 17 14.775 -6.387 -16.519 1.00 1.21 O ATOM 276 CB LEU A 17 13.446 -3.752 -14.725 1.00 74.31 C ATOM 277 CG LEU A 17 12.297 -3.275 -13.836 1.00 33.41 C ATOM 278 CD1 LEU A 17 11.297 -4.398 -13.608 1.00 31.44 C ATOM 279 CD2 LEU A 17 12.830 -2.756 -12.509 1.00 12.52 C ATOM 0 H LEU A 17 14.023 -4.877 -12.611 1.00 42.11 H new ATOM 0 HA LEU A 17 12.895 -5.816 -14.971 1.00 11.21 H new ATOM 0 HB2 LEU A 17 14.343 -3.194 -14.456 1.00 74.31 H new ATOM 0 HB3 LEU A 17 13.210 -3.496 -15.758 1.00 74.31 H new ATOM 0 HG LEU A 17 11.785 -2.458 -14.344 1.00 33.41 H new ATOM 0 HD11 LEU A 17 10.486 -4.040 -12.973 1.00 31.44 H new ATOM 0 HD12 LEU A 17 10.891 -4.724 -14.566 1.00 31.44 H new ATOM 0 HD13 LEU A 17 11.796 -5.236 -13.121 1.00 31.44 H new ATOM 0 HD21 LEU A 17 11.999 -2.421 -11.889 1.00 12.52 H new ATOM 0 HD22 LEU A 17 13.367 -3.554 -11.996 1.00 12.52 H new ATOM 0 HD23 LEU A 17 13.507 -1.921 -12.690 1.00 12.52 H new ATOM 291 N VAL A 18 16.061 -4.926 -15.389 1.00 61.41 N ATOM 292 CA VAL A 18 17.237 -5.149 -16.222 1.00 53.34 C ATOM 293 C VAL A 18 17.540 -6.636 -16.360 1.00 33.54 C ATOM 294 O VAL A 18 18.037 -7.086 -17.392 1.00 23.31 O ATOM 295 CB VAL A 18 18.475 -4.435 -15.648 1.00 52.32 C ATOM 296 CG1 VAL A 18 18.844 -5.014 -14.291 1.00 51.10 C ATOM 297 CG2 VAL A 18 19.644 -4.536 -16.616 1.00 41.51 C ATOM 0 H VAL A 18 16.197 -4.246 -14.641 1.00 61.41 H new ATOM 0 HA VAL A 18 17.011 -4.735 -17.205 1.00 53.34 H new ATOM 0 HB VAL A 18 18.235 -3.380 -15.513 1.00 52.32 H new ATOM 0 HG11 VAL A 18 19.721 -4.497 -13.901 1.00 51.10 H new ATOM 0 HG12 VAL A 18 18.010 -4.885 -13.601 1.00 51.10 H new ATOM 0 HG13 VAL A 18 19.066 -6.076 -14.397 1.00 51.10 H new ATOM 0 HG21 VAL A 18 20.510 -4.026 -16.195 1.00 41.51 H new ATOM 0 HG22 VAL A 18 19.887 -5.585 -16.785 1.00 41.51 H new ATOM 0 HG23 VAL A 18 19.374 -4.069 -17.563 1.00 41.51 H new ATOM 307 N ARG A 19 17.236 -7.396 -15.312 1.00 52.30 N ATOM 308 CA ARG A 19 17.476 -8.834 -15.315 1.00 43.42 C ATOM 309 C ARG A 19 16.535 -9.540 -16.287 1.00 22.14 C ATOM 310 O ARG A 19 16.930 -10.480 -16.976 1.00 62.04 O ATOM 311 CB ARG A 19 17.297 -9.405 -13.908 1.00 33.33 C ATOM 312 CG ARG A 19 18.580 -9.436 -13.095 1.00 25.45 C ATOM 313 CD ARG A 19 19.361 -10.719 -13.334 1.00 71.34 C ATOM 314 NE ARG A 19 18.736 -11.869 -12.686 1.00 63.21 N ATOM 315 CZ ARG A 19 19.269 -13.086 -12.675 1.00 4.22 C ATOM 316 NH1 ARG A 19 20.431 -13.310 -13.273 1.00 42.42 N ATOM 317 NH2 ARG A 19 18.640 -14.082 -12.064 1.00 4.44 N ATOM 0 H ARG A 19 16.823 -7.039 -14.450 1.00 52.30 H new ATOM 0 HA ARG A 19 18.502 -9.006 -15.641 1.00 43.42 H new ATOM 0 HB2 ARG A 19 16.554 -8.811 -13.376 1.00 33.33 H new ATOM 0 HB3 ARG A 19 16.901 -10.417 -13.984 1.00 33.33 H new ATOM 0 HG2 ARG A 19 19.199 -8.578 -13.357 1.00 25.45 H new ATOM 0 HG3 ARG A 19 18.342 -9.346 -12.035 1.00 25.45 H new ATOM 0 HD2 ARG A 19 19.436 -10.903 -14.406 1.00 71.34 H new ATOM 0 HD3 ARG A 19 20.378 -10.600 -12.959 1.00 71.34 H new ATOM 0 HE ARG A 19 17.841 -11.730 -12.216 1.00 63.21 H new ATOM 0 HH11 ARG A 19 20.918 -12.547 -13.743 1.00 42.42 H new ATOM 0 HH12 ARG A 19 20.838 -14.245 -13.263 1.00 42.42 H new ATOM 0 HH21 ARG A 19 17.746 -13.914 -11.602 1.00 4.44 H new ATOM 0 HH22 ARG A 19 19.050 -15.016 -12.056 1.00 4.44 H new ATOM 331 N SER A 20 15.289 -9.081 -16.334 1.00 73.14 N ATOM 332 CA SER A 20 14.290 -9.672 -17.218 1.00 10.43 C ATOM 333 C SER A 20 14.737 -9.591 -18.674 1.00 42.21 C ATOM 334 O SER A 20 14.479 -10.498 -19.466 1.00 62.04 O ATOM 335 CB SER A 20 12.944 -8.964 -17.046 1.00 23.44 C ATOM 336 OG SER A 20 12.876 -7.797 -17.845 1.00 51.52 O ATOM 0 H SER A 20 14.947 -8.302 -15.771 1.00 73.14 H new ATOM 0 HA SER A 20 14.178 -10.722 -16.948 1.00 10.43 H new ATOM 0 HB2 SER A 20 12.135 -9.642 -17.318 1.00 23.44 H new ATOM 0 HB3 SER A 20 12.800 -8.700 -15.998 1.00 23.44 H new ATOM 0 HG SER A 20 13.516 -7.134 -17.511 1.00 51.52 H new ATOM 342 N LEU A 21 15.409 -8.498 -19.020 1.00 70.32 N ATOM 343 CA LEU A 21 15.893 -8.297 -20.381 1.00 63.15 C ATOM 344 C LEU A 21 17.375 -8.644 -20.489 1.00 72.03 C ATOM 345 O LEU A 21 18.073 -8.747 -19.481 1.00 5.52 O ATOM 346 CB LEU A 21 15.664 -6.849 -20.816 1.00 41.55 C ATOM 347 CG LEU A 21 16.539 -5.796 -20.134 1.00 61.42 C ATOM 348 CD1 LEU A 21 17.379 -5.053 -21.161 1.00 60.13 C ATOM 349 CD2 LEU A 21 15.681 -4.823 -19.339 1.00 70.12 C ATOM 0 H LEU A 21 15.631 -7.738 -18.377 1.00 70.32 H new ATOM 0 HA LEU A 21 15.334 -8.961 -21.041 1.00 63.15 H new ATOM 0 HB2 LEU A 21 15.825 -6.784 -21.892 1.00 41.55 H new ATOM 0 HB3 LEU A 21 14.619 -6.597 -20.634 1.00 41.55 H new ATOM 0 HG LEU A 21 17.212 -6.303 -19.443 1.00 61.42 H new ATOM 0 HD11 LEU A 21 17.995 -4.308 -20.657 1.00 60.13 H new ATOM 0 HD12 LEU A 21 18.021 -5.760 -21.686 1.00 60.13 H new ATOM 0 HD13 LEU A 21 16.724 -4.558 -21.877 1.00 60.13 H new ATOM 0 HD21 LEU A 21 16.320 -4.081 -18.861 1.00 70.12 H new ATOM 0 HD22 LEU A 21 14.983 -4.322 -20.009 1.00 70.12 H new ATOM 0 HD23 LEU A 21 15.124 -5.368 -18.577 1.00 70.12 H new ATOM 361 N ASP A 22 17.847 -8.822 -21.718 1.00 5.51 N ATOM 362 CA ASP A 22 19.247 -9.154 -21.958 1.00 40.42 C ATOM 363 C ASP A 22 19.522 -9.300 -23.451 1.00 62.05 C ATOM 364 O ASP A 22 20.128 -10.279 -23.888 1.00 2.21 O ATOM 365 CB ASP A 22 19.619 -10.446 -21.229 1.00 42.42 C ATOM 366 CG ASP A 22 21.007 -10.389 -20.622 1.00 43.24 C ATOM 367 OD1 ASP A 22 21.917 -9.834 -21.274 1.00 32.23 O ATOM 368 OD2 ASP A 22 21.184 -10.900 -19.496 1.00 44.25 O ATOM 0 H ASP A 22 17.281 -8.742 -22.563 1.00 5.51 H new ATOM 0 HA ASP A 22 19.860 -8.339 -21.572 1.00 40.42 H new ATOM 0 HB2 ASP A 22 18.889 -10.639 -20.443 1.00 42.42 H new ATOM 0 HB3 ASP A 22 19.565 -11.282 -21.926 1.00 42.42 H new ATOM 373 N ARG A 23 19.072 -8.321 -24.230 1.00 32.43 N ATOM 374 CA ARG A 23 19.267 -8.343 -25.674 1.00 45.33 C ATOM 375 C ARG A 23 19.949 -7.063 -26.149 1.00 65.05 C ATOM 376 O ARG A 23 19.382 -6.271 -26.902 1.00 44.04 O ATOM 377 CB ARG A 23 17.926 -8.514 -26.390 1.00 21.24 C ATOM 378 CG ARG A 23 16.819 -7.638 -25.826 1.00 62.04 C ATOM 379 CD ARG A 23 15.722 -8.471 -25.183 1.00 31.40 C ATOM 380 NE ARG A 23 16.262 -9.481 -24.276 1.00 11.31 N ATOM 381 CZ ARG A 23 15.506 -10.272 -23.523 1.00 72.23 C ATOM 382 NH1 ARG A 23 14.185 -10.172 -23.570 1.00 35.24 N ATOM 383 NH2 ARG A 23 16.071 -11.167 -22.723 1.00 3.43 N ATOM 0 H ARG A 23 18.570 -7.503 -23.885 1.00 32.43 H new ATOM 0 HA ARG A 23 19.910 -9.189 -25.915 1.00 45.33 H new ATOM 0 HB2 ARG A 23 18.056 -8.284 -27.448 1.00 21.24 H new ATOM 0 HB3 ARG A 23 17.620 -9.558 -26.326 1.00 21.24 H new ATOM 0 HG2 ARG A 23 17.236 -6.952 -25.088 1.00 62.04 H new ATOM 0 HG3 ARG A 23 16.394 -7.028 -26.623 1.00 62.04 H new ATOM 0 HD2 ARG A 23 15.044 -7.817 -24.635 1.00 31.40 H new ATOM 0 HD3 ARG A 23 15.134 -8.959 -25.961 1.00 31.40 H new ATOM 0 HE ARG A 23 17.275 -9.584 -24.218 1.00 11.31 H new ATOM 0 HH11 ARG A 23 13.747 -9.487 -24.185 1.00 35.24 H new ATOM 0 HH12 ARG A 23 13.607 -10.781 -22.991 1.00 35.24 H new ATOM 0 HH21 ARG A 23 17.087 -11.248 -22.686 1.00 3.43 H new ATOM 0 HH22 ARG A 23 15.489 -11.774 -22.145 1.00 3.43 H new ATOM 397 N PRO A 24 21.196 -6.854 -25.700 1.00 32.33 N ATOM 398 CA PRO A 24 21.982 -5.673 -26.066 1.00 10.51 C ATOM 399 C PRO A 24 22.408 -5.691 -27.530 1.00 3.31 C ATOM 400 O PRO A 24 23.559 -5.989 -27.846 1.00 64.41 O ATOM 401 CB PRO A 24 23.206 -5.763 -25.151 1.00 60.54 C ATOM 402 CG PRO A 24 23.335 -7.213 -24.835 1.00 25.42 C ATOM 403 CD PRO A 24 21.934 -7.756 -24.799 1.00 74.35 C ATOM 0 HA PRO A 24 21.412 -4.752 -25.948 1.00 10.51 H new ATOM 0 HB2 PRO A 24 24.100 -5.385 -25.647 1.00 60.54 H new ATOM 0 HB3 PRO A 24 23.069 -5.171 -24.246 1.00 60.54 H new ATOM 0 HG2 PRO A 24 23.932 -7.725 -25.589 1.00 25.42 H new ATOM 0 HG3 PRO A 24 23.835 -7.361 -23.878 1.00 25.42 H new ATOM 0 HD2 PRO A 24 21.894 -8.789 -25.144 1.00 74.35 H new ATOM 0 HD3 PRO A 24 21.523 -7.741 -23.790 1.00 74.35 H new ATOM 411 N GLN A 25 21.473 -5.369 -28.418 1.00 1.12 N ATOM 412 CA GLN A 25 21.753 -5.349 -29.849 1.00 5.15 C ATOM 413 C GLN A 25 22.764 -4.259 -30.190 1.00 52.31 C ATOM 414 O GLN A 25 23.774 -4.519 -30.842 1.00 42.14 O ATOM 415 CB GLN A 25 20.463 -5.130 -30.640 1.00 34.44 C ATOM 416 CG GLN A 25 19.358 -6.113 -30.285 1.00 10.42 C ATOM 417 CD GLN A 25 19.825 -7.554 -30.321 1.00 23.45 C ATOM 418 OE1 GLN A 25 19.690 -8.287 -29.341 1.00 34.54 O ATOM 419 NE2 GLN A 25 20.380 -7.969 -31.454 1.00 34.44 N ATOM 0 H GLN A 25 20.515 -5.118 -28.172 1.00 1.12 H new ATOM 0 HA GLN A 25 22.179 -6.314 -30.124 1.00 5.15 H new ATOM 0 HB2 GLN A 25 20.106 -4.115 -30.463 1.00 34.44 H new ATOM 0 HB3 GLN A 25 20.681 -5.210 -31.705 1.00 34.44 H new ATOM 0 HG2 GLN A 25 18.978 -5.883 -29.289 1.00 10.42 H new ATOM 0 HG3 GLN A 25 18.528 -5.987 -30.980 1.00 10.42 H new ATOM 0 HE21 GLN A 25 20.472 -7.328 -32.242 1.00 34.44 H new ATOM 0 HE22 GLN A 25 20.714 -8.929 -31.536 1.00 34.44 H new ATOM 428 N GLU A 26 22.483 -3.038 -29.745 1.00 40.10 N ATOM 429 CA GLU A 26 23.368 -1.908 -30.005 1.00 73.44 C ATOM 430 C GLU A 26 24.566 -1.927 -29.061 1.00 1.12 C ATOM 431 O GLU A 26 25.712 -1.804 -29.492 1.00 55.41 O ATOM 432 CB GLU A 26 22.606 -0.590 -29.855 1.00 31.03 C ATOM 433 CG GLU A 26 22.387 0.140 -31.169 1.00 45.40 C ATOM 434 CD GLU A 26 23.222 1.402 -31.281 1.00 75.21 C ATOM 435 OE1 GLU A 26 23.243 2.186 -30.310 1.00 11.44 O ATOM 436 OE2 GLU A 26 23.852 1.605 -32.339 1.00 62.44 O ATOM 0 H GLU A 26 21.650 -2.806 -29.203 1.00 40.10 H new ATOM 0 HA GLU A 26 23.733 -1.993 -31.028 1.00 73.44 H new ATOM 0 HB2 GLU A 26 21.638 -0.790 -29.395 1.00 31.03 H new ATOM 0 HB3 GLU A 26 23.154 0.061 -29.174 1.00 31.03 H new ATOM 0 HG2 GLU A 26 22.630 -0.527 -31.996 1.00 45.40 H new ATOM 0 HG3 GLU A 26 21.332 0.397 -31.266 1.00 45.40 H new ATOM 443 N ASN A 27 24.292 -2.081 -27.769 1.00 71.45 N ATOM 444 CA ASN A 27 25.347 -2.115 -26.763 1.00 14.12 C ATOM 445 C ASN A 27 26.283 -0.920 -26.916 1.00 61.32 C ATOM 446 O ASN A 27 27.486 -1.083 -27.119 1.00 55.32 O ATOM 447 CB ASN A 27 26.142 -3.418 -26.871 1.00 12.45 C ATOM 448 CG ASN A 27 27.002 -3.673 -25.648 1.00 12.22 C ATOM 449 OD1 ASN A 27 26.382 -4.164 -24.581 1.00 12.04 O flip ATOM 450 ND2 ASN A 27 28.209 -3.431 -25.663 1.00 22.30 N flip ATOM 0 H ASN A 27 23.349 -2.184 -27.395 1.00 71.45 H new ATOM 0 HA ASN A 27 24.879 -2.064 -25.780 1.00 14.12 H new ATOM 0 HB2 ASN A 27 25.452 -4.251 -27.007 1.00 12.45 H new ATOM 0 HB3 ASN A 27 26.776 -3.381 -27.757 1.00 12.45 H new ATOM 0 HD21 ASN A 27 28.643 -3.054 -26.506 1.00 22.30 H new ATOM 0 HD22 ASN A 27 28.775 -3.607 -24.833 1.00 22.30 H new ATOM 457 N GLY A 28 25.722 0.281 -26.817 1.00 2.22 N ATOM 458 CA GLY A 28 26.521 1.486 -26.946 1.00 60.23 C ATOM 459 C GLY A 28 25.744 2.738 -26.589 1.00 65.32 C ATOM 460 O GLY A 28 26.300 3.683 -26.027 1.00 33.40 O ATOM 0 H GLY A 28 24.729 0.441 -26.650 1.00 2.22 H new ATOM 0 HA2 GLY A 28 27.396 1.409 -26.301 1.00 60.23 H new ATOM 0 HA3 GLY A 28 26.886 1.568 -27.970 1.00 60.23 H new ATOM 464 N LEU A 29 24.457 2.747 -26.917 1.00 42.02 N ATOM 465 CA LEU A 29 23.603 3.894 -26.629 1.00 35.40 C ATOM 466 C LEU A 29 22.137 3.476 -26.558 1.00 2.24 C ATOM 467 O LEU A 29 21.385 3.955 -25.708 1.00 61.33 O ATOM 468 CB LEU A 29 23.786 4.973 -27.698 1.00 32.34 C ATOM 469 CG LEU A 29 23.157 6.333 -27.393 1.00 33.40 C ATOM 470 CD1 LEU A 29 24.106 7.458 -27.774 1.00 64.42 C ATOM 471 CD2 LEU A 29 21.830 6.482 -28.123 1.00 72.10 C ATOM 0 H LEU A 29 23.982 1.974 -27.382 1.00 42.02 H new ATOM 0 HA LEU A 29 23.895 4.299 -25.660 1.00 35.40 H new ATOM 0 HB2 LEU A 29 24.854 5.117 -27.861 1.00 32.34 H new ATOM 0 HB3 LEU A 29 23.368 4.603 -28.634 1.00 32.34 H new ATOM 0 HG LEU A 29 22.968 6.392 -26.321 1.00 33.40 H new ATOM 0 HD11 LEU A 29 23.641 8.418 -27.550 1.00 64.42 H new ATOM 0 HD12 LEU A 29 25.031 7.361 -27.206 1.00 64.42 H new ATOM 0 HD13 LEU A 29 24.327 7.402 -28.840 1.00 64.42 H new ATOM 0 HD21 LEU A 29 21.396 7.456 -27.895 1.00 72.10 H new ATOM 0 HD22 LEU A 29 21.995 6.401 -29.197 1.00 72.10 H new ATOM 0 HD23 LEU A 29 21.147 5.696 -27.801 1.00 72.10 H new ATOM 483 N PHE A 30 21.738 2.579 -27.454 1.00 5.53 N ATOM 484 CA PHE A 30 20.363 2.096 -27.492 1.00 2.13 C ATOM 485 C PHE A 30 20.160 0.955 -26.499 1.00 11.41 C ATOM 486 O PHE A 30 19.097 0.335 -26.458 1.00 43.43 O ATOM 487 CB PHE A 30 20.003 1.629 -28.904 1.00 24.44 C ATOM 488 CG PHE A 30 19.340 2.689 -29.735 1.00 70.12 C ATOM 489 CD1 PHE A 30 20.011 3.859 -30.053 1.00 74.03 C ATOM 490 CD2 PHE A 30 18.046 2.515 -30.199 1.00 42.35 C ATOM 491 CE1 PHE A 30 19.402 4.836 -30.818 1.00 0.43 C ATOM 492 CE2 PHE A 30 17.433 3.489 -30.965 1.00 14.22 C ATOM 493 CZ PHE A 30 18.112 4.651 -31.275 1.00 70.21 C ATOM 0 H PHE A 30 22.348 2.172 -28.163 1.00 5.53 H new ATOM 0 HA PHE A 30 19.707 2.920 -27.211 1.00 2.13 H new ATOM 0 HB2 PHE A 30 20.909 1.296 -29.410 1.00 24.44 H new ATOM 0 HB3 PHE A 30 19.341 0.766 -28.835 1.00 24.44 H new ATOM 0 HD1 PHE A 30 21.020 4.009 -29.699 1.00 74.03 H new ATOM 0 HD2 PHE A 30 17.510 1.608 -29.960 1.00 42.35 H new ATOM 0 HE1 PHE A 30 19.935 5.744 -31.058 1.00 0.43 H new ATOM 0 HE2 PHE A 30 16.424 3.341 -31.321 1.00 14.22 H new ATOM 0 HZ PHE A 30 17.635 5.413 -31.873 1.00 70.21 H new ATOM 503 N SER A 31 21.187 0.684 -25.700 1.00 40.10 N ATOM 504 CA SER A 31 21.124 -0.385 -24.710 1.00 11.41 C ATOM 505 C SER A 31 22.108 -0.130 -23.572 1.00 64.25 C ATOM 506 O SER A 31 22.507 -1.055 -22.865 1.00 14.34 O ATOM 507 CB SER A 31 21.422 -1.734 -25.366 1.00 22.35 C ATOM 508 OG SER A 31 20.764 -1.851 -26.615 1.00 51.10 O ATOM 0 H SER A 31 22.073 1.190 -25.719 1.00 40.10 H new ATOM 0 HA SER A 31 20.116 -0.406 -24.297 1.00 11.41 H new ATOM 0 HB2 SER A 31 22.497 -1.844 -25.506 1.00 22.35 H new ATOM 0 HB3 SER A 31 21.103 -2.541 -24.706 1.00 22.35 H new ATOM 0 HG SER A 31 20.972 -2.722 -27.014 1.00 51.10 H new ATOM 514 N GLN A 32 22.496 1.130 -23.405 1.00 21.14 N ATOM 515 CA GLN A 32 23.435 1.506 -22.354 1.00 55.41 C ATOM 516 C GLN A 32 23.420 3.014 -22.126 1.00 12.33 C ATOM 517 O GLN A 32 22.683 3.745 -22.788 1.00 51.11 O ATOM 518 CB GLN A 32 24.848 1.047 -22.715 1.00 42.23 C ATOM 519 CG GLN A 32 25.403 -0.012 -21.776 1.00 14.42 C ATOM 520 CD GLN A 32 25.919 -1.232 -22.512 1.00 5.11 C ATOM 521 OE1 GLN A 32 27.060 -1.652 -22.317 1.00 5.22 O ATOM 522 NE2 GLN A 32 25.080 -1.809 -23.364 1.00 64.11 N ATOM 0 H GLN A 32 22.175 1.907 -23.983 1.00 21.14 H new ATOM 0 HA GLN A 32 23.126 1.014 -21.432 1.00 55.41 H new ATOM 0 HB2 GLN A 32 24.844 0.653 -23.731 1.00 42.23 H new ATOM 0 HB3 GLN A 32 25.514 1.910 -22.710 1.00 42.23 H new ATOM 0 HG2 GLN A 32 26.211 0.419 -21.185 1.00 14.42 H new ATOM 0 HG3 GLN A 32 24.624 -0.317 -21.077 1.00 14.42 H new ATOM 0 HE21 GLN A 32 24.143 -1.427 -23.495 1.00 64.11 H new ATOM 0 HE22 GLN A 32 25.372 -2.634 -23.888 1.00 64.11 H new ATOM 531 N ASP A 33 24.237 3.473 -21.185 1.00 4.04 N ATOM 532 CA ASP A 33 24.319 4.894 -20.869 1.00 50.51 C ATOM 533 C ASP A 33 25.535 5.530 -21.535 1.00 42.04 C ATOM 534 O ASP A 33 26.675 5.257 -21.160 1.00 4.11 O ATOM 535 CB ASP A 33 24.386 5.100 -19.355 1.00 21.40 C ATOM 536 CG ASP A 33 23.083 4.747 -18.665 1.00 2.23 C ATOM 537 OD1 ASP A 33 22.544 3.654 -18.936 1.00 61.25 O ATOM 538 OD2 ASP A 33 22.603 5.564 -17.852 1.00 11.40 O ATOM 0 H ASP A 33 24.853 2.881 -20.627 1.00 4.04 H new ATOM 0 HA ASP A 33 23.421 5.378 -21.254 1.00 50.51 H new ATOM 0 HB2 ASP A 33 25.189 4.489 -18.943 1.00 21.40 H new ATOM 0 HB3 ASP A 33 24.636 6.140 -19.143 1.00 21.40 H new ATOM 543 N VAL A 34 25.284 6.379 -22.527 1.00 64.45 N ATOM 544 CA VAL A 34 26.358 7.053 -23.247 1.00 4.25 C ATOM 545 C VAL A 34 27.251 7.838 -22.292 1.00 15.44 C ATOM 546 O VAL A 34 28.429 8.064 -22.569 1.00 63.33 O ATOM 547 CB VAL A 34 25.802 8.011 -24.317 1.00 2.13 C ATOM 548 CG1 VAL A 34 24.844 9.013 -23.691 1.00 4.24 C ATOM 549 CG2 VAL A 34 26.938 8.724 -25.035 1.00 71.22 C ATOM 0 H VAL A 34 24.346 6.616 -22.850 1.00 64.45 H new ATOM 0 HA VAL A 34 26.947 6.277 -23.736 1.00 4.25 H new ATOM 0 HB VAL A 34 25.249 7.426 -25.052 1.00 2.13 H new ATOM 0 HG11 VAL A 34 24.461 9.681 -24.462 1.00 4.24 H new ATOM 0 HG12 VAL A 34 24.013 8.481 -23.227 1.00 4.24 H new ATOM 0 HG13 VAL A 34 25.370 9.595 -22.934 1.00 4.24 H new ATOM 0 HG21 VAL A 34 26.527 9.397 -25.788 1.00 71.22 H new ATOM 0 HG22 VAL A 34 27.521 9.298 -24.314 1.00 71.22 H new ATOM 0 HG23 VAL A 34 27.581 7.989 -25.518 1.00 71.22 H new ATOM 559 N LEU A 35 26.681 8.253 -21.165 1.00 64.40 N ATOM 560 CA LEU A 35 27.425 9.013 -20.167 1.00 2.03 C ATOM 561 C LEU A 35 28.519 8.158 -19.535 1.00 45.42 C ATOM 562 O LEU A 35 29.418 8.674 -18.869 1.00 61.00 O ATOM 563 CB LEU A 35 26.479 9.532 -19.083 1.00 53.31 C ATOM 564 CG LEU A 35 26.605 11.016 -18.736 1.00 52.25 C ATOM 565 CD1 LEU A 35 25.658 11.382 -17.604 1.00 4.13 C ATOM 566 CD2 LEU A 35 28.041 11.357 -18.365 1.00 53.14 C ATOM 0 H LEU A 35 25.707 8.076 -20.920 1.00 64.40 H new ATOM 0 HA LEU A 35 27.895 9.860 -20.668 1.00 2.03 H new ATOM 0 HB2 LEU A 35 25.454 9.340 -19.401 1.00 53.31 H new ATOM 0 HB3 LEU A 35 26.646 8.952 -18.175 1.00 53.31 H new ATOM 0 HG LEU A 35 26.330 11.600 -19.615 1.00 52.25 H new ATOM 0 HD11 LEU A 35 25.762 12.442 -17.371 1.00 4.13 H new ATOM 0 HD12 LEU A 35 24.632 11.176 -17.907 1.00 4.13 H new ATOM 0 HD13 LEU A 35 25.901 10.791 -16.721 1.00 4.13 H new ATOM 0 HD21 LEU A 35 28.112 12.417 -18.121 1.00 53.14 H new ATOM 0 HD22 LEU A 35 28.344 10.765 -17.501 1.00 53.14 H new ATOM 0 HD23 LEU A 35 28.697 11.134 -19.206 1.00 53.14 H new ATOM 578 N LEU A 36 28.439 6.850 -19.750 1.00 60.04 N ATOM 579 CA LEU A 36 29.424 5.923 -19.204 1.00 60.23 C ATOM 580 C LEU A 36 30.379 5.440 -20.291 1.00 52.05 C ATOM 581 O LEU A 36 30.905 4.330 -20.219 1.00 43.05 O ATOM 582 CB LEU A 36 28.724 4.727 -18.557 1.00 33.12 C ATOM 583 CG LEU A 36 28.085 4.982 -17.191 1.00 71.22 C ATOM 584 CD1 LEU A 36 26.865 5.878 -17.332 1.00 14.42 C ATOM 585 CD2 LEU A 36 27.709 3.667 -16.524 1.00 73.35 C ATOM 0 H LEU A 36 27.702 6.407 -20.299 1.00 60.04 H new ATOM 0 HA LEU A 36 30.003 6.452 -18.446 1.00 60.23 H new ATOM 0 HB2 LEU A 36 27.950 4.373 -19.238 1.00 33.12 H new ATOM 0 HB3 LEU A 36 29.449 3.920 -18.452 1.00 33.12 H new ATOM 0 HG LEU A 36 28.813 5.491 -16.560 1.00 71.22 H new ATOM 0 HD11 LEU A 36 26.423 6.049 -16.350 1.00 14.42 H new ATOM 0 HD12 LEU A 36 27.163 6.832 -17.767 1.00 14.42 H new ATOM 0 HD13 LEU A 36 26.133 5.397 -17.980 1.00 14.42 H new ATOM 0 HD21 LEU A 36 27.256 3.868 -15.553 1.00 73.35 H new ATOM 0 HD22 LEU A 36 26.998 3.131 -17.152 1.00 73.35 H new ATOM 0 HD23 LEU A 36 28.604 3.059 -16.388 1.00 73.35 H new ATOM 597 N GLN A 37 30.598 6.282 -21.296 1.00 4.42 N ATOM 598 CA GLN A 37 31.491 5.941 -22.397 1.00 3.51 C ATOM 599 C GLN A 37 32.843 6.628 -22.234 1.00 43.20 C ATOM 600 O GLN A 37 33.849 5.980 -21.944 1.00 21.01 O ATOM 601 CB GLN A 37 30.862 6.338 -23.733 1.00 40.54 C ATOM 602 CG GLN A 37 29.477 5.752 -23.952 1.00 14.14 C ATOM 603 CD GLN A 37 29.516 4.281 -24.316 1.00 3.03 C ATOM 604 OE1 GLN A 37 30.532 3.775 -24.795 1.00 13.34 O ATOM 605 NE2 GLN A 37 28.408 3.585 -24.090 1.00 62.10 N ATOM 0 H GLN A 37 30.170 7.205 -21.370 1.00 4.42 H new ATOM 0 HA GLN A 37 31.648 4.862 -22.384 1.00 3.51 H new ATOM 0 HB2 GLN A 37 30.800 7.425 -23.787 1.00 40.54 H new ATOM 0 HB3 GLN A 37 31.516 6.015 -24.543 1.00 40.54 H new ATOM 0 HG2 GLN A 37 28.884 5.883 -23.047 1.00 14.14 H new ATOM 0 HG3 GLN A 37 28.974 6.305 -24.745 1.00 14.14 H new ATOM 0 HE21 GLN A 37 27.589 4.045 -23.692 1.00 62.10 H new ATOM 0 HE22 GLN A 37 28.376 2.591 -24.315 1.00 62.10 H new ATOM 614 N TYR A 38 32.860 7.943 -22.423 1.00 32.12 N ATOM 615 CA TYR A 38 34.089 8.717 -22.300 1.00 1.34 C ATOM 616 C TYR A 38 33.782 10.196 -22.085 1.00 40.32 C ATOM 617 O TYR A 38 32.706 10.689 -22.424 1.00 33.11 O ATOM 618 CB TYR A 38 34.955 8.541 -23.548 1.00 23.52 C ATOM 619 CG TYR A 38 35.882 7.348 -23.478 1.00 3.14 C ATOM 620 CD1 TYR A 38 36.724 7.160 -22.388 1.00 52.42 C ATOM 621 CD2 TYR A 38 35.916 6.408 -24.501 1.00 12.52 C ATOM 622 CE1 TYR A 38 37.573 6.073 -22.320 1.00 72.25 C ATOM 623 CE2 TYR A 38 36.761 5.317 -24.441 1.00 34.02 C ATOM 624 CZ TYR A 38 37.587 5.154 -23.349 1.00 24.20 C ATOM 625 OH TYR A 38 38.431 4.068 -23.285 1.00 13.34 O ATOM 0 H TYR A 38 32.036 8.495 -22.662 1.00 32.12 H new ATOM 0 HA TYR A 38 34.635 8.348 -21.432 1.00 1.34 H new ATOM 0 HB2 TYR A 38 34.307 8.436 -24.418 1.00 23.52 H new ATOM 0 HB3 TYR A 38 35.548 9.443 -23.699 1.00 23.52 H new ATOM 0 HD1 TYR A 38 36.714 7.877 -21.580 1.00 52.42 H new ATOM 0 HD2 TYR A 38 35.270 6.533 -25.358 1.00 12.52 H new ATOM 0 HE1 TYR A 38 38.222 5.943 -21.467 1.00 72.25 H new ATOM 0 HE2 TYR A 38 36.775 4.596 -25.245 1.00 34.02 H new ATOM 0 HH TYR A 38 38.317 3.518 -24.088 1.00 13.34 H new ATOM 635 N PRO A 39 34.751 10.923 -21.509 1.00 40.22 N ATOM 636 CA PRO A 39 34.610 12.357 -21.237 1.00 72.31 C ATOM 637 C PRO A 39 34.607 13.191 -22.513 1.00 41.42 C ATOM 638 O PRO A 39 35.626 13.769 -22.889 1.00 43.40 O ATOM 639 CB PRO A 39 35.842 12.680 -20.389 1.00 65.12 C ATOM 640 CG PRO A 39 36.845 11.645 -20.769 1.00 1.53 C ATOM 641 CD PRO A 39 36.059 10.402 -21.080 1.00 24.34 C ATOM 0 HA PRO A 39 33.665 12.588 -20.745 1.00 72.31 H new ATOM 0 HB2 PRO A 39 36.212 13.684 -20.595 1.00 65.12 H new ATOM 0 HB3 PRO A 39 35.612 12.637 -19.324 1.00 65.12 H new ATOM 0 HG2 PRO A 39 37.428 11.965 -21.633 1.00 1.53 H new ATOM 0 HG3 PRO A 39 37.550 11.468 -19.957 1.00 1.53 H new ATOM 0 HD2 PRO A 39 36.533 9.813 -21.865 1.00 24.34 H new ATOM 0 HD3 PRO A 39 35.967 9.756 -20.207 1.00 24.34 H new ATOM 649 N GLU A 40 33.455 13.250 -23.174 1.00 63.24 N ATOM 650 CA GLU A 40 33.322 14.014 -24.409 1.00 11.31 C ATOM 651 C GLU A 40 31.877 14.007 -24.900 1.00 61.31 C ATOM 652 O GLU A 40 31.392 14.995 -25.453 1.00 30.12 O ATOM 653 CB GLU A 40 34.243 13.444 -25.490 1.00 13.41 C ATOM 654 CG GLU A 40 34.281 11.926 -25.518 1.00 23.31 C ATOM 655 CD GLU A 40 35.672 11.373 -25.275 1.00 23.03 C ATOM 656 OE1 GLU A 40 36.211 11.586 -24.168 1.00 73.54 O ATOM 657 OE2 GLU A 40 36.222 10.727 -26.192 1.00 10.33 O ATOM 0 H GLU A 40 32.601 12.778 -22.875 1.00 63.24 H new ATOM 0 HA GLU A 40 33.612 15.044 -24.202 1.00 11.31 H new ATOM 0 HB2 GLU A 40 33.916 13.809 -26.464 1.00 13.41 H new ATOM 0 HB3 GLU A 40 35.253 13.822 -25.331 1.00 13.41 H new ATOM 0 HG2 GLU A 40 33.601 11.535 -24.761 1.00 23.31 H new ATOM 0 HG3 GLU A 40 33.918 11.575 -26.484 1.00 23.31 H new ATOM 664 N LEU A 41 31.195 12.885 -24.695 1.00 50.44 N ATOM 665 CA LEU A 41 29.805 12.747 -25.117 1.00 43.34 C ATOM 666 C LEU A 41 28.863 12.813 -23.919 1.00 64.15 C ATOM 667 O LEU A 41 27.661 12.586 -24.050 1.00 30.33 O ATOM 668 CB LEU A 41 29.607 11.427 -25.865 1.00 4.34 C ATOM 669 CG LEU A 41 30.207 10.186 -25.204 1.00 34.53 C ATOM 670 CD1 LEU A 41 31.690 10.076 -25.519 1.00 43.22 C ATOM 671 CD2 LEU A 41 29.981 10.220 -23.699 1.00 55.52 C ATOM 0 H LEU A 41 31.582 12.058 -24.240 1.00 50.44 H new ATOM 0 HA LEU A 41 29.570 13.575 -25.786 1.00 43.34 H new ATOM 0 HB2 LEU A 41 28.537 11.263 -25.996 1.00 4.34 H new ATOM 0 HB3 LEU A 41 30.038 11.528 -26.861 1.00 4.34 H new ATOM 0 HG LEU A 41 29.705 9.306 -25.607 1.00 34.53 H new ATOM 0 HD11 LEU A 41 32.099 9.187 -25.040 1.00 43.22 H new ATOM 0 HD12 LEU A 41 31.828 10.003 -26.598 1.00 43.22 H new ATOM 0 HD13 LEU A 41 32.208 10.960 -25.146 1.00 43.22 H new ATOM 0 HD21 LEU A 41 30.415 9.329 -23.246 1.00 55.52 H new ATOM 0 HD22 LEU A 41 30.455 11.108 -23.280 1.00 55.52 H new ATOM 0 HD23 LEU A 41 28.911 10.248 -23.492 1.00 55.52 H new ATOM 683 N ALA A 42 29.418 13.127 -22.753 1.00 43.15 N ATOM 684 CA ALA A 42 28.627 13.227 -21.533 1.00 43.13 C ATOM 685 C ALA A 42 27.633 14.381 -21.616 1.00 63.43 C ATOM 686 O ALA A 42 26.630 14.399 -20.904 1.00 4.53 O ATOM 687 CB ALA A 42 29.538 13.398 -20.326 1.00 51.45 C ATOM 0 H ALA A 42 30.412 13.316 -22.628 1.00 43.15 H new ATOM 0 HA ALA A 42 28.061 12.302 -21.419 1.00 43.13 H new ATOM 0 HB1 ALA A 42 28.934 13.471 -19.422 1.00 51.45 H new ATOM 0 HB2 ALA A 42 30.204 12.539 -20.249 1.00 51.45 H new ATOM 0 HB3 ALA A 42 30.129 14.306 -20.442 1.00 51.45 H new ATOM 693 N GLU A 43 27.919 15.341 -22.490 1.00 65.32 N ATOM 694 CA GLU A 43 27.050 16.498 -22.664 1.00 2.40 C ATOM 695 C GLU A 43 25.791 16.122 -23.439 1.00 72.31 C ATOM 696 O GLU A 43 24.674 16.409 -23.008 1.00 3.22 O ATOM 697 CB GLU A 43 27.795 17.619 -23.393 1.00 61.51 C ATOM 698 CG GLU A 43 28.742 18.402 -22.500 1.00 20.15 C ATOM 699 CD GLU A 43 29.538 19.442 -23.263 1.00 50.42 C ATOM 700 OE1 GLU A 43 30.532 19.065 -23.918 1.00 61.32 O ATOM 701 OE2 GLU A 43 29.168 20.633 -23.206 1.00 14.43 O ATOM 0 H GLU A 43 28.745 15.340 -23.088 1.00 65.32 H new ATOM 0 HA GLU A 43 26.755 16.850 -21.675 1.00 2.40 H new ATOM 0 HB2 GLU A 43 28.361 17.190 -24.220 1.00 61.51 H new ATOM 0 HB3 GLU A 43 27.067 18.305 -23.827 1.00 61.51 H new ATOM 0 HG2 GLU A 43 28.170 18.893 -21.713 1.00 20.15 H new ATOM 0 HG3 GLU A 43 29.429 17.711 -22.011 1.00 20.15 H new ATOM 708 N SER A 44 25.980 15.477 -24.586 1.00 73.10 N ATOM 709 CA SER A 44 24.860 15.064 -25.424 1.00 41.43 C ATOM 710 C SER A 44 23.887 14.191 -24.639 1.00 74.41 C ATOM 711 O SER A 44 22.689 14.165 -24.925 1.00 22.25 O ATOM 712 CB SER A 44 25.367 14.306 -26.652 1.00 64.13 C ATOM 713 OG SER A 44 25.280 12.905 -26.458 1.00 72.15 O ATOM 0 H SER A 44 26.898 15.229 -24.956 1.00 73.10 H new ATOM 0 HA SER A 44 24.333 15.960 -25.751 1.00 41.43 H new ATOM 0 HB2 SER A 44 24.783 14.592 -27.527 1.00 64.13 H new ATOM 0 HB3 SER A 44 26.401 14.585 -26.854 1.00 64.13 H new ATOM 0 HG SER A 44 25.608 12.443 -27.257 1.00 72.15 H new ATOM 719 N TYR A 45 24.410 13.476 -23.649 1.00 14.21 N ATOM 720 CA TYR A 45 23.589 12.599 -22.823 1.00 75.31 C ATOM 721 C TYR A 45 22.370 13.341 -22.284 1.00 11.43 C ATOM 722 O TYR A 45 21.287 12.770 -22.153 1.00 13.34 O ATOM 723 CB TYR A 45 24.412 12.038 -21.663 1.00 24.41 C ATOM 724 CG TYR A 45 23.574 11.399 -20.578 1.00 44.51 C ATOM 725 CD1 TYR A 45 23.090 12.151 -19.515 1.00 1.44 C ATOM 726 CD2 TYR A 45 23.268 10.045 -20.616 1.00 34.01 C ATOM 727 CE1 TYR A 45 22.325 11.573 -18.521 1.00 33.32 C ATOM 728 CE2 TYR A 45 22.502 9.458 -19.627 1.00 53.24 C ATOM 729 CZ TYR A 45 22.033 10.226 -18.582 1.00 12.02 C ATOM 730 OH TYR A 45 21.271 9.645 -17.594 1.00 74.14 O ATOM 0 H TYR A 45 25.399 13.487 -23.399 1.00 14.21 H new ATOM 0 HA TYR A 45 23.243 11.775 -23.447 1.00 75.31 H new ATOM 0 HB2 TYR A 45 25.114 11.299 -22.050 1.00 24.41 H new ATOM 0 HB3 TYR A 45 25.004 12.842 -21.227 1.00 24.41 H new ATOM 0 HD1 TYR A 45 23.316 13.206 -19.465 1.00 1.44 H new ATOM 0 HD2 TYR A 45 23.635 9.441 -21.432 1.00 34.01 H new ATOM 0 HE1 TYR A 45 21.958 12.172 -17.701 1.00 33.32 H new ATOM 0 HE2 TYR A 45 22.272 8.404 -19.672 1.00 53.24 H new ATOM 0 HH TYR A 45 21.157 8.691 -17.787 1.00 74.14 H new ATOM 740 N THR A 46 22.555 14.621 -21.972 1.00 75.33 N ATOM 741 CA THR A 46 21.472 15.443 -21.447 1.00 3.33 C ATOM 742 C THR A 46 20.452 15.769 -22.532 1.00 5.01 C ATOM 743 O THR A 46 19.258 15.889 -22.260 1.00 73.20 O ATOM 744 CB THR A 46 22.006 16.758 -20.848 1.00 41.43 C ATOM 745 OG1 THR A 46 22.452 17.628 -21.895 1.00 71.32 O ATOM 746 CG2 THR A 46 23.151 16.489 -19.884 1.00 63.40 C ATOM 0 H THR A 46 23.444 15.110 -22.074 1.00 75.33 H new ATOM 0 HA THR A 46 20.988 14.864 -20.661 1.00 3.33 H new ATOM 0 HB THR A 46 21.195 17.236 -20.299 1.00 41.43 H new ATOM 0 HG1 THR A 46 23.244 17.243 -22.325 1.00 71.32 H new ATOM 0 HG21 THR A 46 23.511 17.433 -19.474 1.00 63.40 H new ATOM 0 HG22 THR A 46 22.801 15.851 -19.072 1.00 63.40 H new ATOM 0 HG23 THR A 46 23.963 15.990 -20.413 1.00 63.40 H new ATOM 754 N LYS A 47 20.931 15.911 -23.763 1.00 72.14 N ATOM 755 CA LYS A 47 20.061 16.221 -24.892 1.00 12.04 C ATOM 756 C LYS A 47 19.145 15.044 -25.212 1.00 14.23 C ATOM 757 O LYS A 47 18.008 15.230 -25.646 1.00 34.23 O ATOM 758 CB LYS A 47 20.896 16.580 -26.123 1.00 0.35 C ATOM 759 CG LYS A 47 20.080 16.700 -27.398 1.00 33.22 C ATOM 760 CD LYS A 47 20.036 15.384 -28.157 1.00 50.42 C ATOM 761 CE LYS A 47 20.805 15.471 -29.466 1.00 65.33 C ATOM 762 NZ LYS A 47 20.129 14.718 -30.558 1.00 73.52 N ATOM 0 H LYS A 47 21.917 15.816 -24.005 1.00 72.14 H new ATOM 0 HA LYS A 47 19.443 17.076 -24.618 1.00 12.04 H new ATOM 0 HB2 LYS A 47 21.410 17.524 -25.940 1.00 0.35 H new ATOM 0 HB3 LYS A 47 21.665 15.821 -26.264 1.00 0.35 H new ATOM 0 HG2 LYS A 47 19.065 17.014 -27.154 1.00 33.22 H new ATOM 0 HG3 LYS A 47 20.509 17.474 -28.034 1.00 33.22 H new ATOM 0 HD2 LYS A 47 20.457 14.591 -27.538 1.00 50.42 H new ATOM 0 HD3 LYS A 47 19.000 15.114 -28.360 1.00 50.42 H new ATOM 0 HE2 LYS A 47 20.910 16.516 -29.757 1.00 65.33 H new ATOM 0 HE3 LYS A 47 21.811 15.078 -29.323 1.00 65.33 H new ATOM 0 HZ1 LYS A 47 20.685 14.802 -31.433 1.00 73.52 H new ATOM 0 HZ2 LYS A 47 20.051 13.716 -30.292 1.00 73.52 H new ATOM 0 HZ3 LYS A 47 19.178 15.110 -30.713 1.00 73.52 H new ATOM 776 N VAL A 48 19.646 13.833 -24.993 1.00 65.24 N ATOM 777 CA VAL A 48 18.872 12.626 -25.256 1.00 61.32 C ATOM 778 C VAL A 48 18.145 12.155 -24.002 1.00 13.43 C ATOM 779 O VAL A 48 17.717 11.004 -23.915 1.00 32.22 O ATOM 780 CB VAL A 48 19.769 11.485 -25.774 1.00 54.55 C ATOM 781 CG1 VAL A 48 18.930 10.414 -26.455 1.00 22.14 C ATOM 782 CG2 VAL A 48 20.826 12.029 -26.723 1.00 50.05 C ATOM 0 H VAL A 48 20.585 13.662 -24.634 1.00 65.24 H new ATOM 0 HA VAL A 48 18.141 12.881 -26.023 1.00 61.32 H new ATOM 0 HB VAL A 48 20.276 11.029 -24.924 1.00 54.55 H new ATOM 0 HG11 VAL A 48 19.580 9.616 -26.814 1.00 22.14 H new ATOM 0 HG12 VAL A 48 18.214 10.005 -25.742 1.00 22.14 H new ATOM 0 HG13 VAL A 48 18.394 10.852 -27.297 1.00 22.14 H new ATOM 0 HG21 VAL A 48 21.451 11.210 -27.080 1.00 50.05 H new ATOM 0 HG22 VAL A 48 20.340 12.511 -27.571 1.00 50.05 H new ATOM 0 HG23 VAL A 48 21.446 12.757 -26.199 1.00 50.05 H new ATOM 792 N CYS A 49 18.008 13.053 -23.032 1.00 52.45 N ATOM 793 CA CYS A 49 17.332 12.730 -21.781 1.00 13.51 C ATOM 794 C CYS A 49 18.068 11.622 -21.036 1.00 32.23 C ATOM 795 O CYS A 49 18.884 10.895 -21.603 1.00 34.43 O ATOM 796 CB CYS A 49 15.887 12.308 -22.052 1.00 22.42 C ATOM 797 SG CYS A 49 14.665 13.599 -21.720 1.00 25.41 S ATOM 0 H CYS A 49 18.356 14.010 -23.088 1.00 52.45 H new ATOM 0 HA CYS A 49 17.330 13.623 -21.156 1.00 13.51 H new ATOM 0 HB2 CYS A 49 15.799 11.999 -23.094 1.00 22.42 H new ATOM 0 HB3 CYS A 49 15.654 11.436 -21.441 1.00 22.42 H new ATOM 0 HG CYS A 49 13.474 13.147 -21.981 1.00 25.41 H new ATOM 803 N PRO A 50 17.776 11.489 -19.733 1.00 73.14 N ATOM 804 CA PRO A 50 18.400 10.472 -18.882 1.00 32.11 C ATOM 805 C PRO A 50 17.937 9.061 -19.230 1.00 45.20 C ATOM 806 O PRO A 50 17.097 8.486 -18.540 1.00 71.45 O ATOM 807 CB PRO A 50 17.936 10.855 -17.474 1.00 71.42 C ATOM 808 CG PRO A 50 16.660 11.595 -17.684 1.00 3.11 C ATOM 809 CD PRO A 50 16.813 12.321 -18.992 1.00 22.01 C ATOM 0 HA PRO A 50 19.484 10.452 -18.998 1.00 32.11 H new ATOM 0 HB2 PRO A 50 17.784 9.972 -16.853 1.00 71.42 H new ATOM 0 HB3 PRO A 50 18.675 11.476 -16.969 1.00 71.42 H new ATOM 0 HG2 PRO A 50 15.812 10.910 -17.714 1.00 3.11 H new ATOM 0 HG3 PRO A 50 16.476 12.294 -16.869 1.00 3.11 H new ATOM 0 HD2 PRO A 50 15.863 12.403 -19.520 1.00 22.01 H new ATOM 0 HD3 PRO A 50 17.186 13.335 -18.848 1.00 22.01 H new ATOM 817 N ASN A 51 18.493 8.510 -20.304 1.00 72.42 N ATOM 818 CA ASN A 51 18.137 7.165 -20.744 1.00 12.33 C ATOM 819 C ASN A 51 16.686 7.113 -21.212 1.00 72.41 C ATOM 820 O ASN A 51 15.821 7.796 -20.664 1.00 34.42 O ATOM 821 CB ASN A 51 18.355 6.161 -19.610 1.00 43.13 C ATOM 822 CG ASN A 51 19.682 6.365 -18.905 1.00 1.33 C ATOM 823 OD1 ASN A 51 19.744 6.411 -17.676 1.00 32.50 O ATOM 824 ND2 ASN A 51 20.752 6.490 -19.681 1.00 50.03 N ATOM 0 H ASN A 51 19.191 8.973 -20.886 1.00 72.42 H new ATOM 0 HA ASN A 51 18.781 6.901 -21.583 1.00 12.33 H new ATOM 0 HB2 ASN A 51 17.545 6.252 -18.887 1.00 43.13 H new ATOM 0 HB3 ASN A 51 18.312 5.149 -20.011 1.00 43.13 H new ATOM 0 HD21 ASN A 51 21.672 6.630 -19.263 1.00 50.03 H new ATOM 0 HD22 ASN A 51 20.654 6.446 -20.695 1.00 50.03 H new ATOM 831 N ARG A 52 16.427 6.297 -22.229 1.00 23.20 N ATOM 832 CA ARG A 52 15.082 6.155 -22.772 1.00 14.23 C ATOM 833 C ARG A 52 14.876 4.762 -23.359 1.00 21.23 C ATOM 834 O ARG A 52 13.990 4.551 -24.188 1.00 13.15 O ATOM 835 CB ARG A 52 14.827 7.215 -23.845 1.00 45.02 C ATOM 836 CG ARG A 52 14.675 8.621 -23.289 1.00 1.23 C ATOM 837 CD ARG A 52 13.660 9.428 -24.083 1.00 70.22 C ATOM 838 NE ARG A 52 13.829 9.254 -25.523 1.00 60.14 N ATOM 839 CZ ARG A 52 14.732 9.911 -26.242 1.00 5.31 C ATOM 840 NH1 ARG A 52 15.544 10.781 -25.657 1.00 43.21 N ATOM 841 NH2 ARG A 52 14.825 9.699 -27.548 1.00 64.54 N ATOM 0 H ARG A 52 17.132 5.724 -22.693 1.00 23.20 H new ATOM 0 HA ARG A 52 14.372 6.295 -21.957 1.00 14.23 H new ATOM 0 HB2 ARG A 52 15.651 7.203 -24.559 1.00 45.02 H new ATOM 0 HB3 ARG A 52 13.924 6.952 -24.396 1.00 45.02 H new ATOM 0 HG2 ARG A 52 14.364 8.569 -22.246 1.00 1.23 H new ATOM 0 HG3 ARG A 52 15.640 9.128 -23.309 1.00 1.23 H new ATOM 0 HD2 ARG A 52 12.653 9.126 -23.797 1.00 70.22 H new ATOM 0 HD3 ARG A 52 13.759 10.484 -23.831 1.00 70.22 H new ATOM 0 HE ARG A 52 13.220 8.591 -26.003 1.00 60.14 H new ATOM 0 HH11 ARG A 52 15.476 10.947 -24.653 1.00 43.21 H new ATOM 0 HH12 ARG A 52 16.237 11.284 -26.211 1.00 43.21 H new ATOM 0 HH21 ARG A 52 14.202 9.031 -28.002 1.00 64.54 H new ATOM 0 HH22 ARG A 52 15.519 10.204 -28.099 1.00 64.54 H new ATOM 855 N CYS A 53 15.700 3.815 -22.924 1.00 44.13 N ATOM 856 CA CYS A 53 15.610 2.442 -23.408 1.00 21.24 C ATOM 857 C CYS A 53 14.966 1.538 -22.361 1.00 43.30 C ATOM 858 O CYS A 53 13.790 1.189 -22.467 1.00 4.34 O ATOM 859 CB CYS A 53 16.999 1.914 -23.769 1.00 43.24 C ATOM 860 SG CYS A 53 17.793 2.799 -25.131 1.00 45.44 S ATOM 0 H CYS A 53 16.438 3.973 -22.237 1.00 44.13 H new ATOM 0 HA CYS A 53 14.984 2.438 -24.301 1.00 21.24 H new ATOM 0 HB2 CYS A 53 17.639 1.974 -22.889 1.00 43.24 H new ATOM 0 HB3 CYS A 53 16.918 0.860 -24.033 1.00 43.24 H new ATOM 0 HG CYS A 53 19.057 2.954 -24.870 1.00 45.44 H new ATOM 866 N ASP A 54 15.745 1.162 -21.353 1.00 32.13 N ATOM 867 CA ASP A 54 15.251 0.298 -20.287 1.00 0.04 C ATOM 868 C ASP A 54 16.355 -0.007 -19.279 1.00 61.22 C ATOM 869 O ASP A 54 16.407 0.585 -18.201 1.00 5.53 O ATOM 870 CB ASP A 54 14.701 -1.005 -20.870 1.00 45.40 C ATOM 871 CG ASP A 54 13.186 -1.034 -20.894 1.00 31.44 C ATOM 872 OD1 ASP A 54 12.571 -0.746 -19.846 1.00 31.42 O ATOM 873 OD2 ASP A 54 12.615 -1.347 -21.960 1.00 13.34 O ATOM 0 H ASP A 54 16.721 1.442 -21.252 1.00 32.13 H new ATOM 0 HA ASP A 54 14.447 0.823 -19.771 1.00 0.04 H new ATOM 0 HB2 ASP A 54 15.080 -1.135 -21.884 1.00 45.40 H new ATOM 0 HB3 ASP A 54 15.068 -1.846 -20.282 1.00 45.40 H new ATOM 878 N LEU A 55 17.235 -0.936 -19.637 1.00 41.20 N ATOM 879 CA LEU A 55 18.338 -1.321 -18.764 1.00 24.20 C ATOM 880 C LEU A 55 19.261 -0.136 -18.497 1.00 30.31 C ATOM 881 O LEU A 55 20.067 -0.162 -17.568 1.00 4.03 O ATOM 882 CB LEU A 55 19.132 -2.470 -19.389 1.00 44.53 C ATOM 883 CG LEU A 55 20.039 -2.098 -20.563 1.00 53.43 C ATOM 884 CD1 LEU A 55 19.248 -1.368 -21.638 1.00 11.00 C ATOM 885 CD2 LEU A 55 21.206 -1.246 -20.087 1.00 2.22 C ATOM 0 H LEU A 55 17.206 -1.436 -20.525 1.00 41.20 H new ATOM 0 HA LEU A 55 17.918 -1.652 -17.814 1.00 24.20 H new ATOM 0 HB2 LEU A 55 19.746 -2.926 -18.612 1.00 44.53 H new ATOM 0 HB3 LEU A 55 18.428 -3.230 -19.726 1.00 44.53 H new ATOM 0 HG LEU A 55 20.438 -3.016 -20.994 1.00 53.43 H new ATOM 0 HD11 LEU A 55 19.910 -1.111 -22.465 1.00 11.00 H new ATOM 0 HD12 LEU A 55 18.447 -2.012 -22.001 1.00 11.00 H new ATOM 0 HD13 LEU A 55 18.820 -0.457 -21.219 1.00 11.00 H new ATOM 0 HD21 LEU A 55 21.840 -0.991 -20.936 1.00 2.22 H new ATOM 0 HD22 LEU A 55 20.827 -0.332 -19.630 1.00 2.22 H new ATOM 0 HD23 LEU A 55 21.788 -1.804 -19.353 1.00 2.22 H new ATOM 897 N ALA A 56 19.135 0.902 -19.317 1.00 34.02 N ATOM 898 CA ALA A 56 19.954 2.098 -19.166 1.00 52.25 C ATOM 899 C ALA A 56 19.297 3.098 -18.221 1.00 10.12 C ATOM 900 O ALA A 56 19.979 3.827 -17.499 1.00 73.02 O ATOM 901 CB ALA A 56 20.206 2.739 -20.523 1.00 51.12 C ATOM 0 H ALA A 56 18.474 0.939 -20.093 1.00 34.02 H new ATOM 0 HA ALA A 56 20.909 1.802 -18.732 1.00 52.25 H new ATOM 0 HB1 ALA A 56 20.819 3.631 -20.396 1.00 51.12 H new ATOM 0 HB2 ALA A 56 20.725 2.031 -21.169 1.00 51.12 H new ATOM 0 HB3 ALA A 56 19.254 3.014 -20.978 1.00 51.12 H new ATOM 907 N THR A 57 17.968 3.129 -18.229 1.00 71.32 N ATOM 908 CA THR A 57 17.219 4.040 -17.374 1.00 10.53 C ATOM 909 C THR A 57 17.145 3.517 -15.944 1.00 4.32 C ATOM 910 O THR A 57 17.175 4.291 -14.988 1.00 10.25 O ATOM 911 CB THR A 57 15.789 4.260 -17.902 1.00 71.33 C ATOM 912 OG1 THR A 57 15.834 4.792 -19.231 1.00 11.22 O ATOM 913 CG2 THR A 57 15.016 5.207 -16.997 1.00 5.03 C ATOM 0 H THR A 57 17.388 2.533 -18.819 1.00 71.32 H new ATOM 0 HA THR A 57 17.752 4.991 -17.384 1.00 10.53 H new ATOM 0 HB THR A 57 15.278 3.297 -17.913 1.00 71.33 H new ATOM 0 HG1 THR A 57 15.517 5.719 -19.223 1.00 11.22 H new ATOM 0 HG21 THR A 57 14.009 5.346 -17.391 1.00 5.03 H new ATOM 0 HG22 THR A 57 14.958 4.785 -15.994 1.00 5.03 H new ATOM 0 HG23 THR A 57 15.526 6.169 -16.957 1.00 5.03 H new ATOM 921 N ALA A 58 17.050 2.199 -15.805 1.00 41.01 N ATOM 922 CA ALA A 58 16.975 1.573 -14.491 1.00 62.42 C ATOM 923 C ALA A 58 18.341 1.552 -13.814 1.00 3.41 C ATOM 924 O ALA A 58 18.478 1.954 -12.659 1.00 12.12 O ATOM 925 CB ALA A 58 16.422 0.160 -14.611 1.00 2.14 C ATOM 0 H ALA A 58 17.023 1.544 -16.586 1.00 41.01 H new ATOM 0 HA ALA A 58 16.301 2.165 -13.872 1.00 62.42 H new ATOM 0 HB1 ALA A 58 16.371 -0.296 -13.622 1.00 2.14 H new ATOM 0 HB2 ALA A 58 15.423 0.196 -15.046 1.00 2.14 H new ATOM 0 HB3 ALA A 58 17.075 -0.433 -15.251 1.00 2.14 H new ATOM 931 N ALA A 59 19.350 1.082 -14.540 1.00 73.52 N ATOM 932 CA ALA A 59 20.705 1.010 -14.009 1.00 44.45 C ATOM 933 C ALA A 59 21.183 2.380 -13.538 1.00 31.32 C ATOM 934 O ALA A 59 21.813 2.500 -12.487 1.00 61.21 O ATOM 935 CB ALA A 59 21.654 0.451 -15.059 1.00 44.11 C ATOM 0 H ALA A 59 19.254 0.745 -15.498 1.00 73.52 H new ATOM 0 HA ALA A 59 20.697 0.341 -13.149 1.00 44.45 H new ATOM 0 HB1 ALA A 59 22.663 0.403 -14.649 1.00 44.11 H new ATOM 0 HB2 ALA A 59 21.331 -0.550 -15.346 1.00 44.11 H new ATOM 0 HB3 ALA A 59 21.649 1.099 -15.935 1.00 44.11 H new ATOM 941 N ASP A 60 20.879 3.409 -14.321 1.00 64.20 N ATOM 942 CA ASP A 60 21.278 4.770 -13.983 1.00 14.40 C ATOM 943 C ASP A 60 20.599 5.231 -12.697 1.00 4.34 C ATOM 944 O ASP A 60 21.221 5.878 -11.853 1.00 53.12 O ATOM 945 CB ASP A 60 20.931 5.725 -15.127 1.00 22.30 C ATOM 946 CG ASP A 60 21.745 7.003 -15.081 1.00 12.11 C ATOM 947 OD1 ASP A 60 22.979 6.927 -15.253 1.00 60.13 O ATOM 948 OD2 ASP A 60 21.147 8.080 -14.871 1.00 63.24 O ATOM 0 H ASP A 60 20.358 3.327 -15.194 1.00 64.20 H new ATOM 0 HA ASP A 60 22.357 4.778 -13.827 1.00 14.40 H new ATOM 0 HB2 ASP A 60 21.101 5.223 -16.080 1.00 22.30 H new ATOM 0 HB3 ASP A 60 19.870 5.971 -15.082 1.00 22.30 H new ATOM 953 N ARG A 61 19.322 4.895 -12.554 1.00 33.21 N ATOM 954 CA ARG A 61 18.559 5.276 -11.372 1.00 14.14 C ATOM 955 C ARG A 61 19.274 4.836 -10.098 1.00 10.14 C ATOM 956 O ARG A 61 19.422 5.615 -9.157 1.00 2.14 O ATOM 957 CB ARG A 61 17.159 4.661 -11.422 1.00 12.14 C ATOM 958 CG ARG A 61 16.043 5.691 -11.495 1.00 64.15 C ATOM 959 CD ARG A 61 16.151 6.539 -12.753 1.00 54.11 C ATOM 960 NE ARG A 61 16.859 7.793 -12.509 1.00 33.10 N ATOM 961 CZ ARG A 61 16.323 8.827 -11.869 1.00 63.42 C ATOM 962 NH1 ARG A 61 15.081 8.756 -11.411 1.00 61.02 N ATOM 963 NH2 ARG A 61 17.031 9.934 -11.686 1.00 22.11 N ATOM 0 H ARG A 61 18.793 4.359 -13.242 1.00 33.21 H new ATOM 0 HA ARG A 61 18.471 6.362 -11.362 1.00 14.14 H new ATOM 0 HB2 ARG A 61 17.091 4.003 -12.288 1.00 12.14 H new ATOM 0 HB3 ARG A 61 17.012 4.041 -10.538 1.00 12.14 H new ATOM 0 HG2 ARG A 61 15.078 5.185 -11.477 1.00 64.15 H new ATOM 0 HG3 ARG A 61 16.082 6.335 -10.616 1.00 64.15 H new ATOM 0 HD2 ARG A 61 16.670 5.974 -13.527 1.00 54.11 H new ATOM 0 HD3 ARG A 61 15.152 6.755 -13.132 1.00 54.11 H new ATOM 0 HE ARG A 61 17.817 7.880 -12.848 1.00 33.10 H new ATOM 0 HH11 ARG A 61 14.534 7.906 -11.549 1.00 61.02 H new ATOM 0 HH12 ARG A 61 14.672 9.551 -10.920 1.00 61.02 H new ATOM 0 HH21 ARG A 61 17.987 9.992 -12.037 1.00 22.11 H new ATOM 0 HH22 ARG A 61 16.619 10.727 -11.195 1.00 22.11 H new ATOM 977 N ALA A 62 19.715 3.583 -10.076 1.00 32.55 N ATOM 978 CA ALA A 62 20.416 3.039 -8.919 1.00 15.55 C ATOM 979 C ALA A 62 21.823 3.617 -8.808 1.00 73.32 C ATOM 980 O ALA A 62 22.227 4.094 -7.748 1.00 75.03 O ATOM 981 CB ALA A 62 20.471 1.521 -9.000 1.00 14.13 C ATOM 0 H ALA A 62 19.599 2.925 -10.847 1.00 32.55 H new ATOM 0 HA ALA A 62 19.863 3.323 -8.024 1.00 15.55 H new ATOM 0 HB1 ALA A 62 20.997 1.129 -8.130 1.00 14.13 H new ATOM 0 HB2 ALA A 62 19.457 1.121 -9.022 1.00 14.13 H new ATOM 0 HB3 ALA A 62 20.998 1.224 -9.907 1.00 14.13 H new ATOM 987 N ALA A 63 22.565 3.569 -9.910 1.00 31.24 N ATOM 988 CA ALA A 63 23.927 4.088 -9.936 1.00 55.33 C ATOM 989 C ALA A 63 23.969 5.542 -9.476 1.00 72.52 C ATOM 990 O ALA A 63 24.981 6.009 -8.954 1.00 12.22 O ATOM 991 CB ALA A 63 24.514 3.958 -11.334 1.00 32.22 C ATOM 0 H ALA A 63 22.246 3.176 -10.796 1.00 31.24 H new ATOM 0 HA ALA A 63 24.528 3.498 -9.245 1.00 55.33 H new ATOM 0 HB1 ALA A 63 25.531 4.349 -11.339 1.00 32.22 H new ATOM 0 HB2 ALA A 63 24.527 2.908 -11.627 1.00 32.22 H new ATOM 0 HB3 ALA A 63 23.904 4.523 -12.039 1.00 32.22 H new ATOM 997 N LYS A 64 22.864 6.252 -9.674 1.00 52.32 N ATOM 998 CA LYS A 64 22.773 7.653 -9.279 1.00 64.03 C ATOM 999 C LYS A 64 22.933 7.804 -7.770 1.00 0.21 C ATOM 1000 O LYS A 64 23.294 8.873 -7.278 1.00 71.51 O ATOM 1001 CB LYS A 64 21.433 8.244 -9.723 1.00 21.21 C ATOM 1002 CG LYS A 64 21.417 8.694 -11.173 1.00 41.04 C ATOM 1003 CD LYS A 64 21.113 10.178 -11.293 1.00 74.13 C ATOM 1004 CE LYS A 64 22.295 11.027 -10.853 1.00 20.05 C ATOM 1005 NZ LYS A 64 22.136 12.451 -11.257 1.00 4.31 N ATOM 0 H LYS A 64 22.018 5.880 -10.106 1.00 52.32 H new ATOM 0 HA LYS A 64 23.582 8.196 -9.768 1.00 64.03 H new ATOM 0 HB2 LYS A 64 20.650 7.500 -9.574 1.00 21.21 H new ATOM 0 HB3 LYS A 64 21.191 9.094 -9.085 1.00 21.21 H new ATOM 0 HG2 LYS A 64 22.383 8.481 -11.632 1.00 41.04 H new ATOM 0 HG3 LYS A 64 20.670 8.123 -11.724 1.00 41.04 H new ATOM 0 HD2 LYS A 64 20.858 10.416 -12.326 1.00 74.13 H new ATOM 0 HD3 LYS A 64 20.242 10.422 -10.685 1.00 74.13 H new ATOM 0 HE2 LYS A 64 22.402 10.967 -9.770 1.00 20.05 H new ATOM 0 HE3 LYS A 64 23.211 10.627 -11.287 1.00 20.05 H new ATOM 0 HZ1 LYS A 64 22.962 12.996 -10.939 1.00 4.31 H new ATOM 0 HZ2 LYS A 64 22.059 12.512 -12.292 1.00 4.31 H new ATOM 0 HZ3 LYS A 64 21.275 12.841 -10.823 1.00 4.31 H new ATOM 1019 N GLY A 65 22.663 6.726 -7.040 1.00 11.33 N ATOM 1020 CA GLY A 65 22.784 6.760 -5.594 1.00 12.41 C ATOM 1021 C GLY A 65 21.471 6.469 -4.895 1.00 55.22 C ATOM 1022 O GLY A 65 21.289 6.819 -3.730 1.00 10.35 O ATOM 0 H GLY A 65 22.363 5.830 -7.424 1.00 11.33 H new ATOM 0 HA2 GLY A 65 23.530 6.031 -5.278 1.00 12.41 H new ATOM 0 HA3 GLY A 65 23.146 7.741 -5.286 1.00 12.41 H new ATOM 1026 N ALA A 66 20.551 5.828 -5.610 1.00 25.04 N ATOM 1027 CA ALA A 66 19.248 5.490 -5.051 1.00 24.22 C ATOM 1028 C ALA A 66 18.596 6.707 -4.404 1.00 74.04 C ATOM 1029 O ALA A 66 18.432 6.762 -3.185 1.00 62.33 O ATOM 1030 CB ALA A 66 19.385 4.362 -4.039 1.00 33.22 C ATOM 0 H ALA A 66 20.685 5.533 -6.577 1.00 25.04 H new ATOM 0 HA ALA A 66 18.606 5.157 -5.866 1.00 24.22 H new ATOM 0 HB1 ALA A 66 18.404 4.120 -3.629 1.00 33.22 H new ATOM 0 HB2 ALA A 66 19.801 3.482 -4.529 1.00 33.22 H new ATOM 0 HB3 ALA A 66 20.048 4.675 -3.232 1.00 33.22 H new ATOM 1036 N TYR A 67 18.225 7.681 -5.228 1.00 62.01 N ATOM 1037 CA TYR A 67 17.593 8.899 -4.736 1.00 0.21 C ATOM 1038 C TYR A 67 16.444 8.572 -3.787 1.00 72.45 C ATOM 1039 O TYR A 67 15.378 8.130 -4.215 1.00 21.45 O ATOM 1040 CB TYR A 67 17.080 9.741 -5.905 1.00 73.24 C ATOM 1041 CG TYR A 67 17.737 11.098 -6.009 1.00 3.40 C ATOM 1042 CD1 TYR A 67 17.215 12.198 -5.340 1.00 1.14 C ATOM 1043 CD2 TYR A 67 18.882 11.281 -6.776 1.00 33.13 C ATOM 1044 CE1 TYR A 67 17.812 13.440 -5.432 1.00 43.41 C ATOM 1045 CE2 TYR A 67 19.486 12.519 -6.873 1.00 4.32 C ATOM 1046 CZ TYR A 67 18.948 13.596 -6.200 1.00 33.13 C ATOM 1047 OH TYR A 67 19.546 14.831 -6.293 1.00 43.42 O ATOM 0 H TYR A 67 18.351 7.650 -6.240 1.00 62.01 H new ATOM 0 HA TYR A 67 18.342 9.470 -4.187 1.00 0.21 H new ATOM 0 HB2 TYR A 67 17.244 9.195 -6.834 1.00 73.24 H new ATOM 0 HB3 TYR A 67 16.003 9.875 -5.800 1.00 73.24 H new ATOM 0 HD1 TYR A 67 16.327 12.080 -4.737 1.00 1.14 H new ATOM 0 HD2 TYR A 67 19.306 10.441 -7.305 1.00 33.13 H new ATOM 0 HE1 TYR A 67 17.392 14.285 -4.906 1.00 43.41 H new ATOM 0 HE2 TYR A 67 20.375 12.643 -7.473 1.00 4.32 H new ATOM 0 HH TYR A 67 20.335 14.770 -6.871 1.00 43.42 H new ATOM 1057 N GLY A 68 16.669 8.793 -2.496 1.00 24.11 N ATOM 1058 CA GLY A 68 15.645 8.517 -1.506 1.00 32.21 C ATOM 1059 C GLY A 68 14.589 9.603 -1.445 1.00 45.23 C ATOM 1060 O GLY A 68 14.530 10.470 -2.318 1.00 33.31 O ATOM 0 H GLY A 68 17.543 9.159 -2.118 1.00 24.11 H new ATOM 0 HA2 GLY A 68 15.169 7.564 -1.737 1.00 32.21 H new ATOM 0 HA3 GLY A 68 16.111 8.412 -0.526 1.00 32.21 H new ATOM 1064 N TYR A 69 13.754 9.557 -0.414 1.00 32.22 N ATOM 1065 CA TYR A 69 12.693 10.542 -0.245 1.00 54.40 C ATOM 1066 C TYR A 69 11.818 10.621 -1.493 1.00 22.53 C ATOM 1067 O TYR A 69 12.058 11.438 -2.382 1.00 75.40 O ATOM 1068 CB TYR A 69 13.289 11.917 0.060 1.00 11.54 C ATOM 1069 CG TYR A 69 12.331 12.849 0.768 1.00 1.20 C ATOM 1070 CD1 TYR A 69 11.806 12.523 2.013 1.00 41.14 C ATOM 1071 CD2 TYR A 69 11.950 14.055 0.192 1.00 62.30 C ATOM 1072 CE1 TYR A 69 10.930 13.371 2.663 1.00 61.23 C ATOM 1073 CE2 TYR A 69 11.076 14.909 0.835 1.00 0.14 C ATOM 1074 CZ TYR A 69 10.569 14.563 2.070 1.00 34.23 C ATOM 1075 OH TYR A 69 9.696 15.411 2.714 1.00 64.42 O ATOM 0 H TYR A 69 13.791 8.848 0.318 1.00 32.22 H new ATOM 0 HA TYR A 69 12.071 10.228 0.593 1.00 54.40 H new ATOM 0 HB2 TYR A 69 14.180 11.789 0.675 1.00 11.54 H new ATOM 0 HB3 TYR A 69 13.610 12.380 -0.873 1.00 11.54 H new ATOM 0 HD1 TYR A 69 12.088 11.591 2.480 1.00 41.14 H new ATOM 0 HD2 TYR A 69 12.344 14.329 -0.775 1.00 62.30 H new ATOM 0 HE1 TYR A 69 10.530 13.102 3.630 1.00 61.23 H new ATOM 0 HE2 TYR A 69 10.791 15.843 0.373 1.00 0.14 H new ATOM 0 HH TYR A 69 9.546 16.207 2.162 1.00 64.42 H new ATOM 1085 N ASP A 70 10.803 9.765 -1.550 1.00 45.13 N ATOM 1086 CA ASP A 70 9.891 9.737 -2.687 1.00 72.14 C ATOM 1087 C ASP A 70 8.448 9.569 -2.222 1.00 32.51 C ATOM 1088 O ASP A 70 8.115 8.604 -1.532 1.00 44.44 O ATOM 1089 CB ASP A 70 10.267 8.603 -3.643 1.00 1.43 C ATOM 1090 CG ASP A 70 10.165 9.015 -5.098 1.00 74.13 C ATOM 1091 OD1 ASP A 70 9.296 9.853 -5.418 1.00 51.34 O ATOM 1092 OD2 ASP A 70 10.954 8.499 -5.917 1.00 53.31 O ATOM 0 H ASP A 70 10.592 9.082 -0.822 1.00 45.13 H new ATOM 0 HA ASP A 70 9.976 10.688 -3.213 1.00 72.14 H new ATOM 0 HB2 ASP A 70 11.285 8.276 -3.432 1.00 1.43 H new ATOM 0 HB3 ASP A 70 9.614 7.749 -3.464 1.00 1.43 H new ATOM 1097 N VAL A 71 7.594 10.514 -2.603 1.00 23.23 N ATOM 1098 CA VAL A 71 6.187 10.470 -2.225 1.00 11.44 C ATOM 1099 C VAL A 71 5.517 9.203 -2.743 1.00 63.23 C ATOM 1100 O VAL A 71 4.726 8.576 -2.040 1.00 73.31 O ATOM 1101 CB VAL A 71 5.424 11.697 -2.760 1.00 31.32 C ATOM 1102 CG1 VAL A 71 3.922 11.466 -2.685 1.00 2.15 C ATOM 1103 CG2 VAL A 71 5.819 12.947 -1.989 1.00 52.41 C ATOM 0 H VAL A 71 7.852 11.319 -3.173 1.00 23.23 H new ATOM 0 HA VAL A 71 6.152 10.476 -1.136 1.00 11.44 H new ATOM 0 HB VAL A 71 5.693 11.843 -3.806 1.00 31.32 H new ATOM 0 HG11 VAL A 71 3.399 12.343 -3.067 1.00 2.15 H new ATOM 0 HG12 VAL A 71 3.657 10.596 -3.286 1.00 2.15 H new ATOM 0 HG13 VAL A 71 3.632 11.294 -1.649 1.00 2.15 H new ATOM 0 HG21 VAL A 71 5.271 13.804 -2.380 1.00 52.41 H new ATOM 0 HG22 VAL A 71 5.580 12.814 -0.934 1.00 52.41 H new ATOM 0 HG23 VAL A 71 6.889 13.120 -2.100 1.00 52.41 H new ATOM 1113 N GLN A 72 5.841 8.832 -3.978 1.00 22.32 N ATOM 1114 CA GLN A 72 5.270 7.638 -4.591 1.00 4.22 C ATOM 1115 C GLN A 72 6.180 7.103 -5.692 1.00 4.34 C ATOM 1116 O GLN A 72 5.714 6.719 -6.765 1.00 2.00 O ATOM 1117 CB GLN A 72 3.885 7.946 -5.162 1.00 62.52 C ATOM 1118 CG GLN A 72 2.873 6.834 -4.935 1.00 42.04 C ATOM 1119 CD GLN A 72 1.779 7.230 -3.964 1.00 2.34 C ATOM 1120 OE1 GLN A 72 0.647 7.505 -4.363 1.00 63.44 O ATOM 1121 NE2 GLN A 72 2.112 7.262 -2.678 1.00 54.24 N ATOM 0 H GLN A 72 6.495 9.340 -4.573 1.00 22.32 H new ATOM 0 HA GLN A 72 5.176 6.873 -3.820 1.00 4.22 H new ATOM 0 HB2 GLN A 72 3.511 8.865 -4.710 1.00 62.52 H new ATOM 0 HB3 GLN A 72 3.975 8.131 -6.232 1.00 62.52 H new ATOM 0 HG2 GLN A 72 2.424 6.556 -5.889 1.00 42.04 H new ATOM 0 HG3 GLN A 72 3.388 5.951 -4.556 1.00 42.04 H new ATOM 0 HE21 GLN A 72 3.062 7.027 -2.391 1.00 54.24 H new ATOM 0 HE22 GLN A 72 1.417 7.522 -1.978 1.00 54.24 H new ATOM 1130 N LEU A 73 7.480 7.081 -5.419 1.00 3.51 N ATOM 1131 CA LEU A 73 8.457 6.594 -6.387 1.00 31.43 C ATOM 1132 C LEU A 73 8.329 7.338 -7.712 1.00 1.12 C ATOM 1133 O LEU A 73 8.353 6.731 -8.783 1.00 61.10 O ATOM 1134 CB LEU A 73 8.274 5.092 -6.613 1.00 20.24 C ATOM 1135 CG LEU A 73 8.390 4.207 -5.371 1.00 12.33 C ATOM 1136 CD1 LEU A 73 9.546 4.665 -4.495 1.00 51.11 C ATOM 1137 CD2 LEU A 73 7.087 4.218 -4.585 1.00 74.21 C ATOM 0 H LEU A 73 7.882 7.395 -4.536 1.00 3.51 H new ATOM 0 HA LEU A 73 9.453 6.777 -5.984 1.00 31.43 H new ATOM 0 HB2 LEU A 73 7.293 4.929 -7.060 1.00 20.24 H new ATOM 0 HB3 LEU A 73 9.015 4.761 -7.341 1.00 20.24 H new ATOM 0 HG LEU A 73 8.588 3.185 -5.694 1.00 12.33 H new ATOM 0 HD11 LEU A 73 9.613 4.024 -3.616 1.00 51.11 H new ATOM 0 HD12 LEU A 73 10.476 4.605 -5.060 1.00 51.11 H new ATOM 0 HD13 LEU A 73 9.378 5.695 -4.180 1.00 51.11 H new ATOM 0 HD21 LEU A 73 7.188 3.583 -3.705 1.00 74.21 H new ATOM 0 HD22 LEU A 73 6.859 5.237 -4.273 1.00 74.21 H new ATOM 0 HD23 LEU A 73 6.280 3.842 -5.213 1.00 74.21 H new ATOM 1149 N THR A 74 8.195 8.658 -7.633 1.00 0.44 N ATOM 1150 CA THR A 74 8.065 9.486 -8.825 1.00 14.31 C ATOM 1151 C THR A 74 9.289 9.353 -9.723 1.00 51.14 C ATOM 1152 O THR A 74 9.211 9.569 -10.933 1.00 60.24 O ATOM 1153 CB THR A 74 7.869 10.970 -8.460 1.00 32.00 C ATOM 1154 OG1 THR A 74 7.429 11.703 -9.609 1.00 4.22 O ATOM 1155 CG2 THR A 74 9.162 11.572 -7.932 1.00 12.54 C ATOM 0 H THR A 74 8.174 9.177 -6.755 1.00 0.44 H new ATOM 0 HA THR A 74 7.184 9.132 -9.361 1.00 14.31 H new ATOM 0 HB THR A 74 7.112 11.033 -7.678 1.00 32.00 H new ATOM 0 HG1 THR A 74 7.305 12.645 -9.368 1.00 4.22 H new ATOM 0 HG21 THR A 74 8.999 12.620 -7.681 1.00 12.54 H new ATOM 0 HG22 THR A 74 9.478 11.030 -7.041 1.00 12.54 H new ATOM 0 HG23 THR A 74 9.936 11.498 -8.696 1.00 12.54 H new ATOM 1163 N THR A 75 10.421 8.995 -9.125 1.00 13.54 N ATOM 1164 CA THR A 75 11.662 8.834 -9.871 1.00 21.23 C ATOM 1165 C THR A 75 11.533 7.736 -10.921 1.00 5.41 C ATOM 1166 O THR A 75 11.866 7.939 -12.090 1.00 13.24 O ATOM 1167 CB THR A 75 12.840 8.499 -8.936 1.00 72.41 C ATOM 1168 OG1 THR A 75 12.411 7.594 -7.913 1.00 33.25 O ATOM 1169 CG2 THR A 75 13.403 9.761 -8.301 1.00 14.03 C ATOM 0 H THR A 75 10.503 8.811 -8.125 1.00 13.54 H new ATOM 0 HA THR A 75 11.860 9.785 -10.366 1.00 21.23 H new ATOM 0 HB THR A 75 13.624 8.030 -9.530 1.00 72.41 H new ATOM 0 HG1 THR A 75 12.233 8.093 -7.089 1.00 33.25 H new ATOM 0 HG21 THR A 75 14.233 9.499 -7.645 1.00 14.03 H new ATOM 0 HG22 THR A 75 13.756 10.435 -9.082 1.00 14.03 H new ATOM 0 HG23 THR A 75 12.624 10.255 -7.720 1.00 14.03 H new ATOM 1177 N LEU A 76 11.049 6.574 -10.499 1.00 30.24 N ATOM 1178 CA LEU A 76 10.875 5.443 -11.404 1.00 3.12 C ATOM 1179 C LEU A 76 9.617 5.611 -12.249 1.00 60.25 C ATOM 1180 O LEU A 76 9.592 5.244 -13.425 1.00 11.24 O ATOM 1181 CB LEU A 76 10.801 4.137 -10.611 1.00 75.23 C ATOM 1182 CG LEU A 76 11.482 2.925 -11.248 1.00 43.42 C ATOM 1183 CD1 LEU A 76 12.886 2.749 -10.691 1.00 44.02 C ATOM 1184 CD2 LEU A 76 10.655 1.668 -11.023 1.00 2.14 C ATOM 0 H LEU A 76 10.770 6.390 -9.535 1.00 30.24 H new ATOM 0 HA LEU A 76 11.736 5.407 -12.071 1.00 3.12 H new ATOM 0 HB2 LEU A 76 11.246 4.305 -9.630 1.00 75.23 H new ATOM 0 HB3 LEU A 76 9.751 3.894 -10.447 1.00 75.23 H new ATOM 0 HG LEU A 76 11.558 3.097 -12.322 1.00 43.42 H new ATOM 0 HD11 LEU A 76 13.356 1.882 -11.155 1.00 44.02 H new ATOM 0 HD12 LEU A 76 13.477 3.640 -10.905 1.00 44.02 H new ATOM 0 HD13 LEU A 76 12.833 2.599 -9.613 1.00 44.02 H new ATOM 0 HD21 LEU A 76 11.155 0.816 -11.483 1.00 2.14 H new ATOM 0 HD22 LEU A 76 10.547 1.490 -9.953 1.00 2.14 H new ATOM 0 HD23 LEU A 76 9.670 1.796 -11.471 1.00 2.14 H new ATOM 1196 N LYS A 77 8.574 6.169 -11.645 1.00 1.33 N ATOM 1197 CA LYS A 77 7.313 6.390 -12.342 1.00 34.12 C ATOM 1198 C LYS A 77 7.487 7.393 -13.478 1.00 32.13 C ATOM 1199 O LYS A 77 6.882 7.252 -14.540 1.00 21.31 O ATOM 1200 CB LYS A 77 6.247 6.890 -11.364 1.00 52.43 C ATOM 1201 CG LYS A 77 4.891 6.232 -11.554 1.00 11.55 C ATOM 1202 CD LYS A 77 4.923 4.766 -11.158 1.00 33.24 C ATOM 1203 CE LYS A 77 5.166 4.596 -9.666 1.00 1.32 C ATOM 1204 NZ LYS A 77 6.577 4.222 -9.373 1.00 63.42 N ATOM 0 H LYS A 77 8.577 6.477 -10.673 1.00 1.33 H new ATOM 0 HA LYS A 77 6.990 5.440 -12.767 1.00 34.12 H new ATOM 0 HB2 LYS A 77 6.589 6.711 -10.345 1.00 52.43 H new ATOM 0 HB3 LYS A 77 6.138 7.968 -11.479 1.00 52.43 H new ATOM 0 HG2 LYS A 77 4.145 6.755 -10.956 1.00 11.55 H new ATOM 0 HG3 LYS A 77 4.585 6.322 -12.596 1.00 11.55 H new ATOM 0 HD2 LYS A 77 3.979 4.294 -11.430 1.00 33.24 H new ATOM 0 HD3 LYS A 77 5.707 4.254 -11.716 1.00 33.24 H new ATOM 0 HE2 LYS A 77 4.922 5.525 -9.150 1.00 1.32 H new ATOM 0 HE3 LYS A 77 4.498 3.829 -9.274 1.00 1.32 H new ATOM 0 HZ1 LYS A 77 6.606 3.602 -8.539 1.00 63.42 H new ATOM 0 HZ2 LYS A 77 6.980 3.721 -10.190 1.00 63.42 H new ATOM 0 HZ3 LYS A 77 7.132 5.081 -9.185 1.00 63.42 H new ATOM 1218 N GLU A 78 8.318 8.404 -13.246 1.00 40.20 N ATOM 1219 CA GLU A 78 8.571 9.430 -14.251 1.00 63.43 C ATOM 1220 C GLU A 78 9.534 8.918 -15.319 1.00 52.44 C ATOM 1221 O GLU A 78 9.484 9.349 -16.472 1.00 24.41 O ATOM 1222 CB GLU A 78 9.142 10.689 -13.595 1.00 61.42 C ATOM 1223 CG GLU A 78 9.570 11.753 -14.591 1.00 43.22 C ATOM 1224 CD GLU A 78 9.095 13.140 -14.203 1.00 61.11 C ATOM 1225 OE1 GLU A 78 7.866 13.350 -14.138 1.00 70.00 O ATOM 1226 OE2 GLU A 78 9.953 14.015 -13.964 1.00 44.22 O ATOM 0 H GLU A 78 8.827 8.535 -12.372 1.00 40.20 H new ATOM 0 HA GLU A 78 7.623 9.677 -14.728 1.00 63.43 H new ATOM 0 HB2 GLU A 78 8.393 11.111 -12.925 1.00 61.42 H new ATOM 0 HB3 GLU A 78 9.999 10.412 -12.981 1.00 61.42 H new ATOM 0 HG2 GLU A 78 10.657 11.754 -14.671 1.00 43.22 H new ATOM 0 HG3 GLU A 78 9.178 11.501 -15.577 1.00 43.22 H new ATOM 1233 N ASP A 79 10.409 7.999 -14.928 1.00 34.35 N ATOM 1234 CA ASP A 79 11.383 7.428 -15.850 1.00 72.23 C ATOM 1235 C ASP A 79 10.729 6.390 -16.757 1.00 51.14 C ATOM 1236 O ASP A 79 10.904 6.418 -17.976 1.00 3.11 O ATOM 1237 CB ASP A 79 12.538 6.791 -15.076 1.00 41.02 C ATOM 1238 CG ASP A 79 13.702 7.744 -14.885 1.00 73.11 C ATOM 1239 OD1 ASP A 79 14.577 7.797 -15.774 1.00 54.13 O ATOM 1240 OD2 ASP A 79 13.738 8.436 -13.846 1.00 31.21 O ATOM 0 H ASP A 79 10.464 7.633 -13.977 1.00 34.35 H new ATOM 0 HA ASP A 79 11.773 8.234 -16.472 1.00 72.23 H new ATOM 0 HB2 ASP A 79 12.180 6.460 -14.101 1.00 41.02 H new ATOM 0 HB3 ASP A 79 12.882 5.904 -15.607 1.00 41.02 H new ATOM 1245 N ILE A 80 9.976 5.476 -16.155 1.00 61.31 N ATOM 1246 CA ILE A 80 9.297 4.429 -16.909 1.00 15.42 C ATOM 1247 C ILE A 80 8.319 5.024 -17.917 1.00 0.54 C ATOM 1248 O ILE A 80 8.176 4.520 -19.030 1.00 43.05 O ATOM 1249 CB ILE A 80 8.534 3.469 -15.977 1.00 23.12 C ATOM 1250 CG1 ILE A 80 7.860 2.362 -16.790 1.00 52.43 C ATOM 1251 CG2 ILE A 80 7.506 4.232 -15.156 1.00 12.41 C ATOM 1252 CD1 ILE A 80 8.824 1.560 -17.635 1.00 24.32 C ATOM 0 H ILE A 80 9.821 5.439 -15.148 1.00 61.31 H new ATOM 0 HA ILE A 80 10.069 3.871 -17.440 1.00 15.42 H new ATOM 0 HB ILE A 80 9.246 3.009 -15.293 1.00 23.12 H new ATOM 0 HG12 ILE A 80 7.339 1.688 -16.109 1.00 52.43 H new ATOM 0 HG13 ILE A 80 7.105 2.807 -17.438 1.00 52.43 H new ATOM 0 HG21 ILE A 80 6.975 3.539 -14.503 1.00 12.41 H new ATOM 0 HG22 ILE A 80 8.010 4.987 -14.552 1.00 12.41 H new ATOM 0 HG23 ILE A 80 6.795 4.718 -15.824 1.00 12.41 H new ATOM 0 HD11 ILE A 80 8.276 0.794 -18.184 1.00 24.32 H new ATOM 0 HD12 ILE A 80 9.327 2.222 -18.340 1.00 24.32 H new ATOM 0 HD13 ILE A 80 9.565 1.086 -16.991 1.00 24.32 H new ATOM 1264 N ARG A 81 7.649 6.101 -17.518 1.00 44.24 N ATOM 1265 CA ARG A 81 6.686 6.766 -18.387 1.00 75.00 C ATOM 1266 C ARG A 81 7.395 7.556 -19.482 1.00 44.24 C ATOM 1267 O ARG A 81 6.885 7.691 -20.596 1.00 24.05 O ATOM 1268 CB ARG A 81 5.789 7.698 -17.570 1.00 50.42 C ATOM 1269 CG ARG A 81 6.477 8.985 -17.143 1.00 32.31 C ATOM 1270 CD ARG A 81 5.499 9.949 -16.490 1.00 53.15 C ATOM 1271 NE ARG A 81 5.039 10.976 -17.422 1.00 2.14 N ATOM 1272 CZ ARG A 81 5.655 12.141 -17.594 1.00 32.43 C ATOM 1273 NH1 ARG A 81 6.750 12.424 -16.902 1.00 14.14 N ATOM 1274 NH2 ARG A 81 5.176 13.024 -18.460 1.00 53.11 N ATOM 0 H ARG A 81 7.756 6.531 -16.599 1.00 44.24 H new ATOM 0 HA ARG A 81 6.070 6.000 -18.858 1.00 75.00 H new ATOM 0 HB2 ARG A 81 4.905 7.946 -18.158 1.00 50.42 H new ATOM 0 HB3 ARG A 81 5.443 7.169 -16.682 1.00 50.42 H new ATOM 0 HG2 ARG A 81 7.283 8.754 -16.446 1.00 32.31 H new ATOM 0 HG3 ARG A 81 6.933 9.460 -18.011 1.00 32.31 H new ATOM 0 HD2 ARG A 81 4.641 9.394 -16.110 1.00 53.15 H new ATOM 0 HD3 ARG A 81 5.976 10.424 -15.633 1.00 53.15 H new ATOM 0 HE ARG A 81 4.200 10.789 -17.970 1.00 2.14 H new ATOM 0 HH11 ARG A 81 7.122 11.747 -16.236 1.00 14.14 H new ATOM 0 HH12 ARG A 81 7.221 13.319 -17.036 1.00 14.14 H new ATOM 0 HH21 ARG A 81 4.334 12.809 -18.995 1.00 53.11 H new ATOM 0 HH22 ARG A 81 5.649 13.918 -18.591 1.00 53.11 H new ATOM 1288 N LEU A 82 8.574 8.077 -19.160 1.00 0.14 N ATOM 1289 CA LEU A 82 9.355 8.855 -20.116 1.00 34.33 C ATOM 1290 C LEU A 82 9.826 7.980 -21.273 1.00 52.22 C ATOM 1291 O LEU A 82 9.724 8.367 -22.437 1.00 65.31 O ATOM 1292 CB LEU A 82 10.559 9.494 -19.421 1.00 75.32 C ATOM 1293 CG LEU A 82 11.363 10.491 -20.255 1.00 63.04 C ATOM 1294 CD1 LEU A 82 12.294 9.760 -21.210 1.00 62.31 C ATOM 1295 CD2 LEU A 82 10.432 11.419 -21.022 1.00 1.02 C ATOM 0 H LEU A 82 9.010 7.975 -18.244 1.00 0.14 H new ATOM 0 HA LEU A 82 8.715 9.642 -20.516 1.00 34.33 H new ATOM 0 HB2 LEU A 82 10.208 10.002 -18.523 1.00 75.32 H new ATOM 0 HB3 LEU A 82 11.230 8.699 -19.095 1.00 75.32 H new ATOM 0 HG LEU A 82 11.969 11.094 -19.579 1.00 63.04 H new ATOM 0 HD11 LEU A 82 12.858 10.486 -21.795 1.00 62.31 H new ATOM 0 HD12 LEU A 82 12.984 9.138 -20.640 1.00 62.31 H new ATOM 0 HD13 LEU A 82 11.708 9.131 -21.880 1.00 62.31 H new ATOM 0 HD21 LEU A 82 11.022 12.122 -21.610 1.00 1.02 H new ATOM 0 HD22 LEU A 82 9.799 10.831 -21.687 1.00 1.02 H new ATOM 0 HD23 LEU A 82 9.807 11.970 -20.319 1.00 1.02 H new ATOM 1307 N MET A 83 10.339 6.799 -20.945 1.00 3.22 N ATOM 1308 CA MET A 83 10.823 5.868 -21.958 1.00 12.22 C ATOM 1309 C MET A 83 9.695 5.454 -22.898 1.00 43.43 C ATOM 1310 O MET A 83 9.816 5.573 -24.118 1.00 32.23 O ATOM 1311 CB MET A 83 11.430 4.630 -21.295 1.00 41.31 C ATOM 1312 CG MET A 83 12.534 4.953 -20.301 1.00 62.13 C ATOM 1313 SD MET A 83 12.486 3.895 -18.842 1.00 11.11 S ATOM 1314 CE MET A 83 12.258 2.287 -19.597 1.00 24.13 C ATOM 0 H MET A 83 10.430 6.464 -19.986 1.00 3.22 H new ATOM 0 HA MET A 83 11.593 6.373 -22.542 1.00 12.22 H new ATOM 0 HB2 MET A 83 10.641 4.078 -20.783 1.00 41.31 H new ATOM 0 HB3 MET A 83 11.829 3.973 -22.068 1.00 41.31 H new ATOM 0 HG2 MET A 83 13.502 4.846 -20.791 1.00 62.13 H new ATOM 0 HG3 MET A 83 12.447 5.995 -19.993 1.00 62.13 H new ATOM 0 HE1 MET A 83 12.591 1.511 -18.908 1.00 24.13 H new ATOM 0 HE2 MET A 83 11.203 2.139 -19.827 1.00 24.13 H new ATOM 0 HE3 MET A 83 12.841 2.231 -20.516 1.00 24.13 H new ATOM 1324 N VAL A 84 8.600 4.968 -22.324 1.00 13.23 N ATOM 1325 CA VAL A 84 7.450 4.538 -23.111 1.00 24.42 C ATOM 1326 C VAL A 84 6.893 5.687 -23.943 1.00 72.32 C ATOM 1327 O VAL A 84 6.415 5.484 -25.059 1.00 23.34 O ATOM 1328 CB VAL A 84 6.331 3.980 -22.211 1.00 65.54 C ATOM 1329 CG1 VAL A 84 5.843 5.046 -21.243 1.00 73.21 C ATOM 1330 CG2 VAL A 84 5.184 3.449 -23.057 1.00 74.01 C ATOM 0 H VAL A 84 8.484 4.862 -21.316 1.00 13.23 H new ATOM 0 HA VAL A 84 7.799 3.748 -23.776 1.00 24.42 H new ATOM 0 HB VAL A 84 6.735 3.153 -21.628 1.00 65.54 H new ATOM 0 HG11 VAL A 84 5.053 4.634 -20.616 1.00 73.21 H new ATOM 0 HG12 VAL A 84 6.671 5.374 -20.615 1.00 73.21 H new ATOM 0 HG13 VAL A 84 5.454 5.896 -21.804 1.00 73.21 H new ATOM 0 HG21 VAL A 84 4.402 3.059 -22.406 1.00 74.01 H new ATOM 0 HG22 VAL A 84 4.778 4.256 -23.668 1.00 74.01 H new ATOM 0 HG23 VAL A 84 5.548 2.652 -23.705 1.00 74.01 H new ATOM 1340 N ASN A 85 6.957 6.895 -23.393 1.00 25.33 N ATOM 1341 CA ASN A 85 6.459 8.078 -24.085 1.00 33.34 C ATOM 1342 C ASN A 85 7.162 8.260 -25.426 1.00 40.21 C ATOM 1343 O ASN A 85 6.517 8.458 -26.455 1.00 31.23 O ATOM 1344 CB ASN A 85 6.658 9.323 -23.218 1.00 72.21 C ATOM 1345 CG ASN A 85 5.499 9.557 -22.268 1.00 43.41 C ATOM 1346 OD1 ASN A 85 4.358 9.204 -22.564 1.00 71.31 O ATOM 1347 ND2 ASN A 85 5.789 10.157 -21.119 1.00 54.32 N ATOM 0 H ASN A 85 7.349 7.080 -22.470 1.00 25.33 H new ATOM 0 HA ASN A 85 5.394 7.939 -24.270 1.00 33.34 H new ATOM 0 HB2 ASN A 85 7.579 9.220 -22.645 1.00 72.21 H new ATOM 0 HB3 ASN A 85 6.779 10.195 -23.861 1.00 72.21 H new ATOM 0 HD21 ASN A 85 5.051 10.342 -20.440 1.00 54.32 H new ATOM 0 HD22 ASN A 85 6.750 10.432 -20.916 1.00 54.32 H new ATOM 1354 N ASN A 86 8.489 8.192 -25.406 1.00 62.24 N ATOM 1355 CA ASN A 86 9.281 8.349 -26.621 1.00 52.31 C ATOM 1356 C ASN A 86 9.325 7.047 -27.414 1.00 65.31 C ATOM 1357 O ASN A 86 9.590 7.049 -28.617 1.00 3.21 O ATOM 1358 CB ASN A 86 10.702 8.797 -26.274 1.00 1.10 C ATOM 1359 CG ASN A 86 11.378 9.518 -27.424 1.00 1.51 C ATOM 1360 OD1 ASN A 86 12.197 8.940 -28.139 1.00 13.02 O ATOM 1361 ND2 ASN A 86 11.038 10.789 -27.607 1.00 72.11 N ATOM 0 H ASN A 86 9.039 8.029 -24.562 1.00 62.24 H new ATOM 0 HA ASN A 86 8.807 9.113 -27.238 1.00 52.31 H new ATOM 0 HB2 ASN A 86 10.671 9.454 -25.405 1.00 1.10 H new ATOM 0 HB3 ASN A 86 11.296 7.927 -25.995 1.00 1.10 H new ATOM 0 HD21 ASN A 86 11.460 11.326 -28.364 1.00 72.11 H new ATOM 0 HD22 ASN A 86 10.354 11.228 -26.990 1.00 72.11 H new ATOM 1368 N CYS A 87 9.064 5.937 -26.733 1.00 23.22 N ATOM 1369 CA CYS A 87 9.075 4.626 -27.373 1.00 54.33 C ATOM 1370 C CYS A 87 8.020 4.550 -28.473 1.00 4.22 C ATOM 1371 O CYS A 87 8.327 4.216 -29.618 1.00 12.42 O ATOM 1372 CB CYS A 87 8.829 3.528 -26.338 1.00 24.31 C ATOM 1373 SG CYS A 87 8.970 1.849 -26.995 1.00 53.23 S ATOM 0 H CYS A 87 8.842 5.918 -25.738 1.00 23.22 H new ATOM 0 HA CYS A 87 10.056 4.477 -27.824 1.00 54.33 H new ATOM 0 HB2 CYS A 87 9.540 3.648 -25.521 1.00 24.31 H new ATOM 0 HB3 CYS A 87 7.833 3.659 -25.915 1.00 24.31 H new ATOM 0 HG CYS A 87 8.747 0.991 -26.044 1.00 53.23 H new ATOM 1379 N ILE A 88 6.778 4.860 -28.117 1.00 4.12 N ATOM 1380 CA ILE A 88 5.679 4.826 -29.073 1.00 41.14 C ATOM 1381 C ILE A 88 5.658 6.087 -29.931 1.00 73.44 C ATOM 1382 O ILE A 88 5.235 6.057 -31.088 1.00 33.32 O ATOM 1383 CB ILE A 88 4.320 4.678 -28.364 1.00 40.41 C ATOM 1384 CG1 ILE A 88 4.049 5.894 -27.475 1.00 24.20 C ATOM 1385 CG2 ILE A 88 4.287 3.397 -27.544 1.00 1.41 C ATOM 1386 CD1 ILE A 88 3.122 6.909 -28.105 1.00 51.03 C ATOM 0 H ILE A 88 6.508 5.138 -27.173 1.00 4.12 H new ATOM 0 HA ILE A 88 5.843 3.958 -29.711 1.00 41.14 H new ATOM 0 HB ILE A 88 3.536 4.622 -29.120 1.00 40.41 H new ATOM 0 HG12 ILE A 88 3.618 5.556 -26.533 1.00 24.20 H new ATOM 0 HG13 ILE A 88 4.996 6.378 -27.237 1.00 24.20 H new ATOM 0 HG21 ILE A 88 3.320 3.307 -27.049 1.00 1.41 H new ATOM 0 HG22 ILE A 88 4.440 2.541 -28.201 1.00 1.41 H new ATOM 0 HG23 ILE A 88 5.077 3.425 -26.794 1.00 1.41 H new ATOM 0 HD11 ILE A 88 2.975 7.743 -27.419 1.00 51.03 H new ATOM 0 HD12 ILE A 88 3.561 7.276 -29.033 1.00 51.03 H new ATOM 0 HD13 ILE A 88 2.161 6.441 -28.318 1.00 51.03 H new ATOM 1398 N LEU A 89 6.118 7.193 -29.359 1.00 2.25 N ATOM 1399 CA LEU A 89 6.154 8.466 -30.071 1.00 62.53 C ATOM 1400 C LEU A 89 7.241 8.460 -31.142 1.00 30.54 C ATOM 1401 O LEU A 89 6.949 8.462 -32.338 1.00 20.54 O ATOM 1402 CB LEU A 89 6.394 9.615 -29.091 1.00 3.00 C ATOM 1403 CG LEU A 89 6.528 11.007 -29.709 1.00 1.30 C ATOM 1404 CD1 LEU A 89 5.389 11.906 -29.253 1.00 32.52 C ATOM 1405 CD2 LEU A 89 7.872 11.623 -29.349 1.00 43.45 C ATOM 0 H LEU A 89 6.472 7.235 -28.403 1.00 2.25 H new ATOM 0 HA LEU A 89 5.190 8.609 -30.559 1.00 62.53 H new ATOM 0 HB2 LEU A 89 5.571 9.634 -28.376 1.00 3.00 H new ATOM 0 HB3 LEU A 89 7.302 9.401 -28.527 1.00 3.00 H new ATOM 0 HG LEU A 89 6.474 10.909 -30.793 1.00 1.30 H new ATOM 0 HD11 LEU A 89 5.501 12.892 -29.703 1.00 32.52 H new ATOM 0 HD12 LEU A 89 4.438 11.473 -29.562 1.00 32.52 H new ATOM 0 HD13 LEU A 89 5.411 11.998 -28.167 1.00 32.52 H new ATOM 0 HD21 LEU A 89 7.950 12.613 -29.797 1.00 43.45 H new ATOM 0 HD22 LEU A 89 7.955 11.708 -28.265 1.00 43.45 H new ATOM 0 HD23 LEU A 89 8.675 10.990 -29.726 1.00 43.45 H new ATOM 1417 N PHE A 90 8.496 8.450 -30.704 1.00 14.05 N ATOM 1418 CA PHE A 90 9.627 8.442 -31.624 1.00 13.21 C ATOM 1419 C PHE A 90 9.508 7.294 -32.622 1.00 21.24 C ATOM 1420 O PHE A 90 9.425 7.513 -33.829 1.00 73.12 O ATOM 1421 CB PHE A 90 10.941 8.326 -30.849 1.00 40.12 C ATOM 1422 CG PHE A 90 12.160 8.529 -31.703 1.00 10.21 C ATOM 1423 CD1 PHE A 90 12.669 9.800 -31.915 1.00 43.22 C ATOM 1424 CD2 PHE A 90 12.797 7.449 -32.293 1.00 12.33 C ATOM 1425 CE1 PHE A 90 13.790 9.990 -32.701 1.00 23.20 C ATOM 1426 CE2 PHE A 90 13.919 7.633 -33.079 1.00 74.32 C ATOM 1427 CZ PHE A 90 14.416 8.905 -33.283 1.00 25.34 C ATOM 0 H PHE A 90 8.755 8.447 -29.717 1.00 14.05 H new ATOM 0 HA PHE A 90 9.621 9.382 -32.176 1.00 13.21 H new ATOM 0 HB2 PHE A 90 10.945 9.061 -30.044 1.00 40.12 H new ATOM 0 HB3 PHE A 90 10.993 7.342 -30.383 1.00 40.12 H new ATOM 0 HD1 PHE A 90 12.184 10.652 -31.461 1.00 43.22 H new ATOM 0 HD2 PHE A 90 12.412 6.452 -32.137 1.00 12.33 H new ATOM 0 HE1 PHE A 90 14.176 10.986 -32.860 1.00 23.20 H new ATOM 0 HE2 PHE A 90 14.406 6.783 -33.533 1.00 74.32 H new ATOM 0 HZ PHE A 90 15.293 9.051 -33.897 1.00 25.34 H new ATOM 1437 N ASN A 91 9.502 6.069 -32.106 1.00 71.44 N ATOM 1438 CA ASN A 91 9.395 4.885 -32.951 1.00 71.33 C ATOM 1439 C ASN A 91 9.436 3.612 -32.112 1.00 21.44 C ATOM 1440 O ASN A 91 10.472 3.260 -31.548 1.00 52.23 O ATOM 1441 CB ASN A 91 10.524 4.865 -33.983 1.00 44.22 C ATOM 1442 CG ASN A 91 10.029 5.150 -35.388 1.00 61.10 C ATOM 1443 OD1 ASN A 91 10.474 6.098 -36.035 1.00 2.11 O ATOM 1444 ND2 ASN A 91 9.103 4.328 -35.867 1.00 33.55 N ATOM 0 H ASN A 91 9.570 5.870 -31.108 1.00 71.44 H new ATOM 0 HA ASN A 91 8.438 4.926 -33.470 1.00 71.33 H new ATOM 0 HB2 ASN A 91 11.276 5.605 -33.709 1.00 44.22 H new ATOM 0 HB3 ASN A 91 11.013 3.891 -33.964 1.00 44.22 H new ATOM 0 HD21 ASN A 91 8.732 4.470 -36.806 1.00 33.55 H new ATOM 0 HD22 ASN A 91 8.763 3.555 -35.296 1.00 33.55 H new ATOM 1451 N GLY A 92 8.301 2.924 -32.033 1.00 71.43 N ATOM 1452 CA GLY A 92 8.229 1.697 -31.261 1.00 73.02 C ATOM 1453 C GLY A 92 6.990 0.883 -31.580 1.00 10.53 C ATOM 1454 O GLY A 92 7.077 -0.172 -32.207 1.00 14.21 O ATOM 0 H GLY A 92 7.430 3.194 -32.490 1.00 71.43 H new ATOM 0 HA2 GLY A 92 9.116 1.095 -31.458 1.00 73.02 H new ATOM 0 HA3 GLY A 92 8.237 1.939 -30.198 1.00 73.02 H new ATOM 1458 N ALA A 93 5.834 1.374 -31.145 1.00 52.12 N ATOM 1459 CA ALA A 93 4.572 0.686 -31.388 1.00 62.41 C ATOM 1460 C ALA A 93 3.880 1.231 -32.632 1.00 55.41 C ATOM 1461 O ALA A 93 3.888 0.597 -33.686 1.00 50.04 O ATOM 1462 CB ALA A 93 3.661 0.811 -30.176 1.00 72.12 C ATOM 0 H ALA A 93 5.746 2.246 -30.623 1.00 52.12 H new ATOM 0 HA ALA A 93 4.788 -0.369 -31.558 1.00 62.41 H new ATOM 0 HB1 ALA A 93 2.722 0.293 -30.371 1.00 72.12 H new ATOM 0 HB2 ALA A 93 4.147 0.366 -29.308 1.00 72.12 H new ATOM 0 HB3 ALA A 93 3.460 1.864 -29.979 1.00 72.12 H new ATOM 1468 N GLU A 94 3.280 2.411 -32.501 1.00 23.21 N ATOM 1469 CA GLU A 94 2.582 3.040 -33.615 1.00 54.14 C ATOM 1470 C GLU A 94 1.471 2.136 -34.141 1.00 73.34 C ATOM 1471 O GLU A 94 1.006 2.296 -35.269 1.00 45.13 O ATOM 1472 CB GLU A 94 3.564 3.368 -34.742 1.00 55.10 C ATOM 1473 CG GLU A 94 3.340 4.736 -35.365 1.00 22.10 C ATOM 1474 CD GLU A 94 3.724 4.779 -36.831 1.00 74.45 C ATOM 1475 OE1 GLU A 94 3.444 3.795 -37.547 1.00 75.24 O ATOM 1476 OE2 GLU A 94 4.304 5.797 -37.263 1.00 12.01 O ATOM 0 H GLU A 94 3.264 2.949 -31.635 1.00 23.21 H new ATOM 0 HA GLU A 94 2.134 3.965 -33.253 1.00 54.14 H new ATOM 0 HB2 GLU A 94 4.581 3.317 -34.353 1.00 55.10 H new ATOM 0 HB3 GLU A 94 3.481 2.607 -35.518 1.00 55.10 H new ATOM 0 HG2 GLU A 94 2.291 5.012 -35.260 1.00 22.10 H new ATOM 0 HG3 GLU A 94 3.921 5.479 -34.819 1.00 22.10 H new ATOM 1483 N GLY A 95 1.049 1.183 -33.315 1.00 4.34 N ATOM 1484 CA GLY A 95 -0.003 0.267 -33.714 1.00 24.45 C ATOM 1485 C GLY A 95 -0.194 -0.864 -32.722 1.00 3.44 C ATOM 1486 O GLY A 95 -1.292 -1.403 -32.590 1.00 23.34 O ATOM 0 H GLY A 95 1.417 1.029 -32.376 1.00 4.34 H new ATOM 0 HA2 GLY A 95 -0.939 0.816 -33.819 1.00 24.45 H new ATOM 0 HA3 GLY A 95 0.234 -0.149 -34.693 1.00 24.45 H new ATOM 1490 N ALA A 96 0.878 -1.224 -32.023 1.00 43.35 N ATOM 1491 CA ALA A 96 0.823 -2.297 -31.039 1.00 4.24 C ATOM 1492 C ALA A 96 1.224 -1.794 -29.656 1.00 4.11 C ATOM 1493 O ALA A 96 2.236 -2.221 -29.098 1.00 74.35 O ATOM 1494 CB ALA A 96 1.721 -3.450 -31.464 1.00 14.33 C ATOM 0 H ALA A 96 1.795 -0.788 -32.121 1.00 43.35 H new ATOM 0 HA ALA A 96 -0.206 -2.653 -30.984 1.00 4.24 H new ATOM 0 HB1 ALA A 96 1.670 -4.244 -30.719 1.00 14.33 H new ATOM 0 HB2 ALA A 96 1.388 -3.834 -32.428 1.00 14.33 H new ATOM 0 HB3 ALA A 96 2.749 -3.098 -31.549 1.00 14.33 H new ATOM 1500 N TYR A 97 0.426 -0.884 -29.108 1.00 65.12 N ATOM 1501 CA TYR A 97 0.700 -0.321 -27.792 1.00 4.34 C ATOM 1502 C TYR A 97 0.923 -1.424 -26.762 1.00 64.53 C ATOM 1503 O TYR A 97 1.655 -1.243 -25.790 1.00 0.24 O ATOM 1504 CB TYR A 97 -0.454 0.579 -27.349 1.00 14.34 C ATOM 1505 CG TYR A 97 -1.782 -0.139 -27.261 1.00 12.44 C ATOM 1506 CD1 TYR A 97 -2.588 -0.292 -28.382 1.00 45.53 C ATOM 1507 CD2 TYR A 97 -2.231 -0.665 -26.055 1.00 42.14 C ATOM 1508 CE1 TYR A 97 -3.802 -0.946 -28.306 1.00 43.01 C ATOM 1509 CE2 TYR A 97 -3.443 -1.322 -25.970 1.00 61.31 C ATOM 1510 CZ TYR A 97 -4.225 -1.460 -27.098 1.00 41.20 C ATOM 1511 OH TYR A 97 -5.433 -2.114 -27.018 1.00 50.33 O ATOM 0 H TYR A 97 -0.416 -0.521 -29.555 1.00 65.12 H new ATOM 0 HA TYR A 97 1.610 0.274 -27.863 1.00 4.34 H new ATOM 0 HB2 TYR A 97 -0.217 1.007 -26.375 1.00 14.34 H new ATOM 0 HB3 TYR A 97 -0.545 1.410 -28.049 1.00 14.34 H new ATOM 0 HD1 TYR A 97 -2.259 0.108 -29.330 1.00 45.53 H new ATOM 0 HD2 TYR A 97 -1.622 -0.558 -25.170 1.00 42.14 H new ATOM 0 HE1 TYR A 97 -4.417 -1.054 -29.187 1.00 43.01 H new ATOM 0 HE2 TYR A 97 -3.777 -1.726 -25.025 1.00 61.31 H new ATOM 0 HH TYR A 97 -5.581 -2.416 -26.097 1.00 50.33 H new ATOM 1521 N ALA A 98 0.287 -2.570 -26.985 1.00 42.24 N ATOM 1522 CA ALA A 98 0.417 -3.705 -26.080 1.00 43.31 C ATOM 1523 C ALA A 98 1.881 -4.082 -25.879 1.00 1.41 C ATOM 1524 O ALA A 98 2.256 -4.618 -24.836 1.00 42.01 O ATOM 1525 CB ALA A 98 -0.368 -4.895 -26.610 1.00 72.20 C ATOM 0 H ALA A 98 -0.323 -2.736 -27.785 1.00 42.24 H new ATOM 0 HA ALA A 98 0.007 -3.415 -25.112 1.00 43.31 H new ATOM 0 HB1 ALA A 98 -0.262 -5.735 -25.924 1.00 72.20 H new ATOM 0 HB2 ALA A 98 -1.421 -4.627 -26.696 1.00 72.20 H new ATOM 0 HB3 ALA A 98 0.016 -5.176 -27.591 1.00 72.20 H new ATOM 1531 N ASP A 99 2.703 -3.798 -26.883 1.00 24.30 N ATOM 1532 CA ASP A 99 4.127 -4.107 -26.816 1.00 20.31 C ATOM 1533 C ASP A 99 4.805 -3.307 -25.708 1.00 62.32 C ATOM 1534 O ASP A 99 5.680 -3.816 -25.008 1.00 34.33 O ATOM 1535 CB ASP A 99 4.798 -3.814 -28.158 1.00 42.55 C ATOM 1536 CG ASP A 99 4.428 -4.826 -29.225 1.00 11.43 C ATOM 1537 OD1 ASP A 99 3.316 -5.388 -29.148 1.00 15.42 O ATOM 1538 OD2 ASP A 99 5.251 -5.056 -30.136 1.00 33.44 O ATOM 0 H ASP A 99 2.408 -3.354 -27.753 1.00 24.30 H new ATOM 0 HA ASP A 99 4.233 -5.168 -26.590 1.00 20.31 H new ATOM 0 HB2 ASP A 99 4.513 -2.817 -28.493 1.00 42.55 H new ATOM 0 HB3 ASP A 99 5.880 -3.809 -28.026 1.00 42.55 H new ATOM 1543 N ALA A 100 4.396 -2.052 -25.557 1.00 4.22 N ATOM 1544 CA ALA A 100 4.964 -1.182 -24.534 1.00 54.21 C ATOM 1545 C ALA A 100 4.341 -1.459 -23.170 1.00 70.41 C ATOM 1546 O ALA A 100 4.942 -1.178 -22.134 1.00 24.20 O ATOM 1547 CB ALA A 100 4.771 0.278 -24.917 1.00 41.11 C ATOM 0 H ALA A 100 3.674 -1.615 -26.130 1.00 4.22 H new ATOM 0 HA ALA A 100 6.032 -1.391 -24.466 1.00 54.21 H new ATOM 0 HB1 ALA A 100 5.200 0.917 -24.145 1.00 41.11 H new ATOM 0 HB2 ALA A 100 5.268 0.474 -25.867 1.00 41.11 H new ATOM 0 HB3 ALA A 100 3.706 0.491 -25.014 1.00 41.11 H new ATOM 1553 N ALA A 101 3.132 -2.012 -23.178 1.00 24.21 N ATOM 1554 CA ALA A 101 2.429 -2.329 -21.941 1.00 41.21 C ATOM 1555 C ALA A 101 3.093 -3.493 -21.215 1.00 24.35 C ATOM 1556 O ALA A 101 3.047 -3.579 -19.987 1.00 73.43 O ATOM 1557 CB ALA A 101 0.970 -2.648 -22.231 1.00 31.15 C ATOM 0 H ALA A 101 2.619 -2.250 -24.027 1.00 24.21 H new ATOM 0 HA ALA A 101 2.476 -1.456 -21.291 1.00 41.21 H new ATOM 0 HB1 ALA A 101 0.457 -2.883 -21.299 1.00 31.15 H new ATOM 0 HB2 ALA A 101 0.495 -1.786 -22.699 1.00 31.15 H new ATOM 0 HB3 ALA A 101 0.911 -3.504 -22.903 1.00 31.15 H new ATOM 1563 N ARG A 102 3.711 -4.388 -21.980 1.00 13.52 N ATOM 1564 CA ARG A 102 4.383 -5.548 -21.408 1.00 72.24 C ATOM 1565 C ARG A 102 5.498 -5.118 -20.459 1.00 75.32 C ATOM 1566 O ARG A 102 5.556 -5.560 -19.311 1.00 71.22 O ATOM 1567 CB ARG A 102 4.956 -6.430 -22.519 1.00 60.30 C ATOM 1568 CG ARG A 102 4.888 -7.917 -22.212 1.00 73.41 C ATOM 1569 CD ARG A 102 3.449 -8.394 -22.084 1.00 24.20 C ATOM 1570 NE ARG A 102 3.263 -9.265 -20.927 1.00 34.33 N ATOM 1571 CZ ARG A 102 2.101 -9.825 -20.608 1.00 52.11 C ATOM 1572 NH1 ARG A 102 1.028 -9.606 -21.356 1.00 43.13 N ATOM 1573 NH2 ARG A 102 2.010 -10.606 -19.539 1.00 42.12 N ATOM 0 H ARG A 102 3.760 -4.331 -22.997 1.00 13.52 H new ATOM 0 HA ARG A 102 3.648 -6.120 -20.841 1.00 72.24 H new ATOM 0 HB2 ARG A 102 4.413 -6.233 -23.444 1.00 60.30 H new ATOM 0 HB3 ARG A 102 5.995 -6.151 -22.694 1.00 60.30 H new ATOM 0 HG2 ARG A 102 5.389 -8.476 -23.002 1.00 73.41 H new ATOM 0 HG3 ARG A 102 5.425 -8.123 -21.286 1.00 73.41 H new ATOM 0 HD2 ARG A 102 2.787 -7.532 -21.999 1.00 24.20 H new ATOM 0 HD3 ARG A 102 3.162 -8.928 -22.990 1.00 24.20 H new ATOM 0 HE ARG A 102 4.069 -9.454 -20.331 1.00 34.33 H new ATOM 0 HH11 ARG A 102 1.093 -9.006 -22.179 1.00 43.13 H new ATOM 0 HH12 ARG A 102 0.137 -10.037 -21.109 1.00 43.13 H new ATOM 0 HH21 ARG A 102 2.833 -10.777 -18.961 1.00 42.12 H new ATOM 0 HH22 ARG A 102 1.117 -11.035 -19.295 1.00 42.12 H new ATOM 1587 N THR A 103 6.382 -4.253 -20.946 1.00 70.43 N ATOM 1588 CA THR A 103 7.496 -3.765 -20.143 1.00 54.11 C ATOM 1589 C THR A 103 7.001 -2.928 -18.969 1.00 1.20 C ATOM 1590 O THR A 103 7.610 -2.921 -17.899 1.00 13.13 O ATOM 1591 CB THR A 103 8.469 -2.921 -20.987 1.00 1.41 C ATOM 1592 OG1 THR A 103 9.515 -2.403 -20.157 1.00 13.21 O ATOM 1593 CG2 THR A 103 7.739 -1.772 -21.668 1.00 24.35 C ATOM 0 H THR A 103 6.348 -3.876 -21.893 1.00 70.43 H new ATOM 0 HA THR A 103 8.022 -4.642 -19.765 1.00 54.11 H new ATOM 0 HB THR A 103 8.900 -3.563 -21.755 1.00 1.41 H new ATOM 0 HG1 THR A 103 10.130 -1.869 -20.701 1.00 13.21 H new ATOM 0 HG21 THR A 103 8.447 -1.190 -22.258 1.00 24.35 H new ATOM 0 HG22 THR A 103 6.963 -2.170 -22.321 1.00 24.35 H new ATOM 0 HG23 THR A 103 7.284 -1.131 -20.913 1.00 24.35 H new ATOM 1601 N PHE A 104 5.894 -2.223 -19.176 1.00 35.34 N ATOM 1602 CA PHE A 104 5.317 -1.382 -18.133 1.00 41.13 C ATOM 1603 C PHE A 104 4.828 -2.227 -16.961 1.00 1.13 C ATOM 1604 O PHE A 104 5.167 -1.961 -15.808 1.00 32.51 O ATOM 1605 CB PHE A 104 4.160 -0.555 -18.698 1.00 4.52 C ATOM 1606 CG PHE A 104 3.481 0.306 -17.671 1.00 23.44 C ATOM 1607 CD1 PHE A 104 3.921 1.597 -17.429 1.00 40.24 C ATOM 1608 CD2 PHE A 104 2.403 -0.177 -16.947 1.00 21.32 C ATOM 1609 CE1 PHE A 104 3.298 2.390 -16.484 1.00 44.31 C ATOM 1610 CE2 PHE A 104 1.776 0.611 -16.001 1.00 2.55 C ATOM 1611 CZ PHE A 104 2.224 1.897 -15.770 1.00 11.42 C ATOM 0 H PHE A 104 5.378 -2.217 -20.056 1.00 35.34 H new ATOM 0 HA PHE A 104 6.094 -0.708 -17.772 1.00 41.13 H new ATOM 0 HB2 PHE A 104 4.535 0.079 -19.501 1.00 4.52 H new ATOM 0 HB3 PHE A 104 3.425 -1.228 -19.140 1.00 4.52 H new ATOM 0 HD1 PHE A 104 4.760 1.988 -17.985 1.00 40.24 H new ATOM 0 HD2 PHE A 104 2.048 -1.182 -17.124 1.00 21.32 H new ATOM 0 HE1 PHE A 104 3.651 3.395 -16.304 1.00 44.31 H new ATOM 0 HE2 PHE A 104 0.937 0.222 -15.443 1.00 2.55 H new ATOM 0 HZ PHE A 104 1.735 2.516 -15.032 1.00 11.42 H new ATOM 1621 N GLU A 105 4.029 -3.245 -17.265 1.00 41.10 N ATOM 1622 CA GLU A 105 3.492 -4.128 -16.236 1.00 43.22 C ATOM 1623 C GLU A 105 4.611 -4.690 -15.364 1.00 60.52 C ATOM 1624 O GLU A 105 4.484 -4.763 -14.142 1.00 23.43 O ATOM 1625 CB GLU A 105 2.704 -5.273 -16.876 1.00 4.11 C ATOM 1626 CG GLU A 105 1.211 -5.007 -16.968 1.00 22.40 C ATOM 1627 CD GLU A 105 0.506 -5.961 -17.913 1.00 43.22 C ATOM 1628 OE1 GLU A 105 1.005 -6.152 -19.042 1.00 73.33 O ATOM 1629 OE2 GLU A 105 -0.543 -6.515 -17.525 1.00 0.14 O ATOM 0 H GLU A 105 3.739 -3.479 -18.215 1.00 41.10 H new ATOM 0 HA GLU A 105 2.822 -3.544 -15.605 1.00 43.22 H new ATOM 0 HB2 GLU A 105 3.094 -5.456 -17.877 1.00 4.11 H new ATOM 0 HB3 GLU A 105 2.868 -6.183 -16.298 1.00 4.11 H new ATOM 0 HG2 GLU A 105 0.769 -5.092 -15.975 1.00 22.40 H new ATOM 0 HG3 GLU A 105 1.048 -3.983 -17.303 1.00 22.40 H new ATOM 1636 N LYS A 106 5.707 -5.088 -16.002 1.00 11.13 N ATOM 1637 CA LYS A 106 6.850 -5.644 -15.287 1.00 14.24 C ATOM 1638 C LYS A 106 7.350 -4.673 -14.222 1.00 40.31 C ATOM 1639 O LYS A 106 7.595 -5.061 -13.080 1.00 2.34 O ATOM 1640 CB LYS A 106 7.980 -5.971 -16.265 1.00 73.12 C ATOM 1641 CG LYS A 106 8.168 -7.460 -16.501 1.00 4.34 C ATOM 1642 CD LYS A 106 7.044 -8.038 -17.344 1.00 3.21 C ATOM 1643 CE LYS A 106 7.546 -9.146 -18.257 1.00 33.44 C ATOM 1644 NZ LYS A 106 6.595 -10.291 -18.313 1.00 32.11 N ATOM 0 H LYS A 106 5.828 -5.036 -17.013 1.00 11.13 H new ATOM 0 HA LYS A 106 6.527 -6.561 -14.795 1.00 14.24 H new ATOM 0 HB2 LYS A 106 7.777 -5.483 -17.218 1.00 73.12 H new ATOM 0 HB3 LYS A 106 8.911 -5.551 -15.885 1.00 73.12 H new ATOM 0 HG2 LYS A 106 9.122 -7.633 -16.998 1.00 4.34 H new ATOM 0 HG3 LYS A 106 8.209 -7.979 -15.543 1.00 4.34 H new ATOM 0 HD2 LYS A 106 6.262 -8.428 -16.692 1.00 3.21 H new ATOM 0 HD3 LYS A 106 6.594 -7.247 -17.944 1.00 3.21 H new ATOM 0 HE2 LYS A 106 7.696 -8.749 -19.261 1.00 33.44 H new ATOM 0 HE3 LYS A 106 8.516 -9.496 -17.904 1.00 33.44 H new ATOM 0 HZ1 LYS A 106 6.973 -11.025 -18.945 1.00 32.11 H new ATOM 0 HZ2 LYS A 106 6.471 -10.686 -17.359 1.00 32.11 H new ATOM 0 HZ3 LYS A 106 5.677 -9.962 -18.674 1.00 32.11 H new ATOM 1658 N PHE A 107 7.498 -3.408 -14.604 1.00 22.43 N ATOM 1659 CA PHE A 107 7.969 -2.382 -13.681 1.00 52.43 C ATOM 1660 C PHE A 107 7.139 -2.379 -12.401 1.00 24.44 C ATOM 1661 O PHE A 107 7.682 -2.342 -11.297 1.00 3.31 O ATOM 1662 CB PHE A 107 7.908 -1.004 -14.344 1.00 51.12 C ATOM 1663 CG PHE A 107 9.243 -0.509 -14.821 1.00 42.44 C ATOM 1664 CD1 PHE A 107 9.963 -1.220 -15.767 1.00 62.33 C ATOM 1665 CD2 PHE A 107 9.779 0.668 -14.324 1.00 15.45 C ATOM 1666 CE1 PHE A 107 11.192 -0.767 -16.209 1.00 21.11 C ATOM 1667 CE2 PHE A 107 11.007 1.127 -14.762 1.00 34.44 C ATOM 1668 CZ PHE A 107 11.715 0.407 -15.704 1.00 51.44 C ATOM 0 H PHE A 107 7.299 -3.070 -15.545 1.00 22.43 H new ATOM 0 HA PHE A 107 9.003 -2.609 -13.422 1.00 52.43 H new ATOM 0 HB2 PHE A 107 7.222 -1.047 -15.190 1.00 51.12 H new ATOM 0 HB3 PHE A 107 7.496 -0.286 -13.635 1.00 51.12 H new ATOM 0 HD1 PHE A 107 9.559 -2.140 -16.164 1.00 62.33 H new ATOM 0 HD2 PHE A 107 9.231 1.234 -13.585 1.00 15.45 H new ATOM 0 HE1 PHE A 107 11.742 -1.330 -16.948 1.00 21.11 H new ATOM 0 HE2 PHE A 107 11.412 2.047 -14.368 1.00 34.44 H new ATOM 0 HZ PHE A 107 12.676 0.762 -16.045 1.00 51.44 H new ATOM 1678 N ALA A 108 5.820 -2.419 -12.557 1.00 62.41 N ATOM 1679 CA ALA A 108 4.915 -2.423 -11.414 1.00 62.55 C ATOM 1680 C ALA A 108 5.157 -3.640 -10.527 1.00 53.02 C ATOM 1681 O ALA A 108 5.170 -3.533 -9.301 1.00 41.24 O ATOM 1682 CB ALA A 108 3.469 -2.391 -11.886 1.00 41.35 C ATOM 0 H ALA A 108 5.354 -2.449 -13.464 1.00 62.41 H new ATOM 0 HA ALA A 108 5.112 -1.529 -10.822 1.00 62.55 H new ATOM 0 HB1 ALA A 108 2.804 -2.394 -11.022 1.00 41.35 H new ATOM 0 HB2 ALA A 108 3.298 -1.488 -12.472 1.00 41.35 H new ATOM 0 HB3 ALA A 108 3.268 -3.267 -12.502 1.00 41.35 H new ATOM 1688 N MET A 109 5.346 -4.796 -11.155 1.00 22.01 N ATOM 1689 CA MET A 109 5.588 -6.033 -10.421 1.00 54.10 C ATOM 1690 C MET A 109 6.848 -5.922 -9.569 1.00 30.31 C ATOM 1691 O MET A 109 6.850 -6.293 -8.396 1.00 2.12 O ATOM 1692 CB MET A 109 5.715 -7.210 -11.390 1.00 41.44 C ATOM 1693 CG MET A 109 4.956 -8.449 -10.945 1.00 52.10 C ATOM 1694 SD MET A 109 5.131 -9.823 -12.099 1.00 51.13 S ATOM 1695 CE MET A 109 5.363 -11.190 -10.966 1.00 4.15 C ATOM 0 H MET A 109 5.336 -4.902 -12.169 1.00 22.01 H new ATOM 0 HA MET A 109 4.738 -6.206 -9.760 1.00 54.10 H new ATOM 0 HB2 MET A 109 5.351 -6.904 -12.370 1.00 41.44 H new ATOM 0 HB3 MET A 109 6.769 -7.462 -11.506 1.00 41.44 H new ATOM 0 HG2 MET A 109 5.315 -8.757 -9.963 1.00 52.10 H new ATOM 0 HG3 MET A 109 3.900 -8.204 -10.836 1.00 52.10 H new ATOM 0 HE1 MET A 109 5.486 -12.114 -11.531 1.00 4.15 H new ATOM 0 HE2 MET A 109 6.252 -11.014 -10.360 1.00 4.15 H new ATOM 0 HE3 MET A 109 4.492 -11.276 -10.316 1.00 4.15 H new ATOM 1705 N GLY A 110 7.919 -5.410 -10.168 1.00 0.14 N ATOM 1706 CA GLY A 110 9.171 -5.260 -9.448 1.00 75.53 C ATOM 1707 C GLY A 110 9.025 -4.410 -8.202 1.00 30.11 C ATOM 1708 O GLY A 110 9.702 -4.642 -7.200 1.00 51.00 O ATOM 0 H GLY A 110 7.942 -5.097 -11.138 1.00 0.14 H new ATOM 0 HA2 GLY A 110 9.547 -6.245 -9.170 1.00 75.53 H new ATOM 0 HA3 GLY A 110 9.914 -4.809 -10.107 1.00 75.53 H new ATOM 1712 N LYS A 111 8.140 -3.421 -8.263 1.00 3.42 N ATOM 1713 CA LYS A 111 7.907 -2.531 -7.131 1.00 63.21 C ATOM 1714 C LYS A 111 7.321 -3.297 -5.949 1.00 55.44 C ATOM 1715 O LYS A 111 7.766 -3.138 -4.812 1.00 53.54 O ATOM 1716 CB LYS A 111 6.965 -1.395 -7.535 1.00 3.33 C ATOM 1717 CG LYS A 111 6.743 -0.370 -6.436 1.00 44.52 C ATOM 1718 CD LYS A 111 8.050 0.271 -5.999 1.00 22.33 C ATOM 1719 CE LYS A 111 8.575 -0.354 -4.715 1.00 35.11 C ATOM 1720 NZ LYS A 111 9.423 0.595 -3.942 1.00 54.21 N ATOM 0 H LYS A 111 7.572 -3.215 -9.085 1.00 3.42 H new ATOM 0 HA LYS A 111 8.865 -2.109 -6.828 1.00 63.21 H new ATOM 0 HB2 LYS A 111 7.371 -0.892 -8.413 1.00 3.33 H new ATOM 0 HB3 LYS A 111 6.003 -1.818 -7.826 1.00 3.33 H new ATOM 0 HG2 LYS A 111 6.059 0.401 -6.789 1.00 44.52 H new ATOM 0 HG3 LYS A 111 6.268 -0.850 -5.580 1.00 44.52 H new ATOM 0 HD2 LYS A 111 8.793 0.160 -6.789 1.00 22.33 H new ATOM 0 HD3 LYS A 111 7.900 1.340 -5.850 1.00 22.33 H new ATOM 0 HE2 LYS A 111 7.736 -0.676 -4.098 1.00 35.11 H new ATOM 0 HE3 LYS A 111 9.154 -1.245 -4.956 1.00 35.11 H new ATOM 0 HZ1 LYS A 111 9.537 0.246 -2.969 1.00 54.21 H new ATOM 0 HZ2 LYS A 111 10.357 0.673 -4.393 1.00 54.21 H new ATOM 0 HZ3 LYS A 111 8.969 1.530 -3.923 1.00 54.21 H new ATOM 1734 N ILE A 112 6.321 -4.127 -6.226 1.00 22.51 N ATOM 1735 CA ILE A 112 5.676 -4.919 -5.186 1.00 3.04 C ATOM 1736 C ILE A 112 6.697 -5.747 -4.413 1.00 2.05 C ATOM 1737 O ILE A 112 6.655 -5.814 -3.184 1.00 2.31 O ATOM 1738 CB ILE A 112 4.609 -5.860 -5.775 1.00 31.05 C ATOM 1739 CG1 ILE A 112 3.564 -5.058 -6.553 1.00 0.10 C ATOM 1740 CG2 ILE A 112 3.948 -6.669 -4.669 1.00 14.25 C ATOM 1741 CD1 ILE A 112 2.640 -5.918 -7.387 1.00 44.10 C ATOM 0 H ILE A 112 5.940 -4.268 -7.162 1.00 22.51 H new ATOM 0 HA ILE A 112 5.193 -4.216 -4.508 1.00 3.04 H new ATOM 0 HB ILE A 112 5.095 -6.551 -6.463 1.00 31.05 H new ATOM 0 HG12 ILE A 112 2.969 -4.475 -5.851 1.00 0.10 H new ATOM 0 HG13 ILE A 112 4.074 -4.349 -7.205 1.00 0.10 H new ATOM 0 HG21 ILE A 112 3.196 -7.329 -5.101 1.00 14.25 H new ATOM 0 HG22 ILE A 112 4.702 -7.265 -4.154 1.00 14.25 H new ATOM 0 HG23 ILE A 112 3.472 -5.993 -3.959 1.00 14.25 H new ATOM 0 HD11 ILE A 112 1.926 -5.283 -7.911 1.00 44.10 H new ATOM 0 HD12 ILE A 112 3.225 -6.482 -8.114 1.00 44.10 H new ATOM 0 HD13 ILE A 112 2.103 -6.610 -6.738 1.00 44.10 H new ATOM 1753 N ASP A 113 7.614 -6.375 -5.140 1.00 42.11 N ATOM 1754 CA ASP A 113 8.649 -7.197 -4.523 1.00 12.31 C ATOM 1755 C ASP A 113 9.471 -6.380 -3.531 1.00 24.40 C ATOM 1756 O ASP A 113 9.657 -6.784 -2.383 1.00 52.42 O ATOM 1757 CB ASP A 113 9.563 -7.793 -5.594 1.00 43.22 C ATOM 1758 CG ASP A 113 8.997 -9.063 -6.197 1.00 62.40 C ATOM 1759 OD1 ASP A 113 7.773 -9.280 -6.082 1.00 52.32 O ATOM 1760 OD2 ASP A 113 9.779 -9.842 -6.783 1.00 33.02 O ATOM 0 H ASP A 113 7.662 -6.331 -6.158 1.00 42.11 H new ATOM 0 HA ASP A 113 8.161 -8.008 -3.982 1.00 12.31 H new ATOM 0 HB2 ASP A 113 9.720 -7.058 -6.384 1.00 43.22 H new ATOM 0 HB3 ASP A 113 10.539 -8.005 -5.157 1.00 43.22 H new ATOM 1765 N ALA A 114 9.963 -5.231 -3.982 1.00 62.24 N ATOM 1766 CA ALA A 114 10.765 -4.358 -3.135 1.00 3.14 C ATOM 1767 C ALA A 114 9.970 -3.890 -1.920 1.00 61.24 C ATOM 1768 O ALA A 114 10.514 -3.755 -0.824 1.00 45.13 O ATOM 1769 CB ALA A 114 11.266 -3.163 -3.932 1.00 43.11 C ATOM 0 H ALA A 114 9.820 -4.883 -4.930 1.00 62.24 H new ATOM 0 HA ALA A 114 11.623 -4.928 -2.778 1.00 3.14 H new ATOM 0 HB1 ALA A 114 11.864 -2.520 -3.286 1.00 43.11 H new ATOM 0 HB2 ALA A 114 11.878 -3.511 -4.764 1.00 43.11 H new ATOM 0 HB3 ALA A 114 10.416 -2.601 -4.318 1.00 43.11 H new ATOM 1775 N TYR A 115 8.681 -3.644 -2.123 1.00 34.13 N ATOM 1776 CA TYR A 115 7.811 -3.188 -1.045 1.00 22.24 C ATOM 1777 C TYR A 115 7.926 -4.102 0.171 1.00 30.44 C ATOM 1778 O TYR A 115 8.165 -3.641 1.288 1.00 65.51 O ATOM 1779 CB TYR A 115 6.359 -3.134 -1.521 1.00 34.33 C ATOM 1780 CG TYR A 115 5.413 -2.520 -0.513 1.00 24.41 C ATOM 1781 CD1 TYR A 115 5.770 -1.382 0.200 1.00 25.52 C ATOM 1782 CD2 TYR A 115 4.164 -3.079 -0.273 1.00 11.52 C ATOM 1783 CE1 TYR A 115 4.911 -0.818 1.123 1.00 75.44 C ATOM 1784 CE2 TYR A 115 3.297 -2.520 0.647 1.00 60.44 C ATOM 1785 CZ TYR A 115 3.675 -1.391 1.342 1.00 52.32 C ATOM 1786 OH TYR A 115 2.815 -0.833 2.260 1.00 53.55 O ATOM 0 H TYR A 115 8.215 -3.753 -3.024 1.00 34.13 H new ATOM 0 HA TYR A 115 8.128 -2.186 -0.755 1.00 22.24 H new ATOM 0 HB2 TYR A 115 6.310 -2.562 -2.448 1.00 34.33 H new ATOM 0 HB3 TYR A 115 6.024 -4.145 -1.753 1.00 34.33 H new ATOM 0 HD1 TYR A 115 6.736 -0.931 0.029 1.00 25.52 H new ATOM 0 HD2 TYR A 115 3.866 -3.965 -0.814 1.00 11.52 H new ATOM 0 HE1 TYR A 115 5.205 0.066 1.670 1.00 75.44 H new ATOM 0 HE2 TYR A 115 2.329 -2.965 0.820 1.00 60.44 H new ATOM 0 HH TYR A 115 3.098 -1.080 3.165 1.00 53.55 H new ATOM 1796 N ILE A 116 7.754 -5.400 -0.054 1.00 70.53 N ATOM 1797 CA ILE A 116 7.840 -6.380 1.021 1.00 32.34 C ATOM 1798 C ILE A 116 9.223 -6.373 1.663 1.00 41.50 C ATOM 1799 O ILE A 116 9.356 -6.514 2.879 1.00 53.14 O ATOM 1800 CB ILE A 116 7.529 -7.801 0.515 1.00 63.23 C ATOM 1801 CG1 ILE A 116 6.171 -7.830 -0.189 1.00 42.45 C ATOM 1802 CG2 ILE A 116 7.555 -8.792 1.669 1.00 74.33 C ATOM 1803 CD1 ILE A 116 5.015 -7.460 0.713 1.00 51.52 C ATOM 0 H ILE A 116 7.554 -5.797 -0.972 1.00 70.53 H new ATOM 0 HA ILE A 116 7.095 -6.097 1.765 1.00 32.34 H new ATOM 0 HB ILE A 116 8.296 -8.090 -0.204 1.00 63.23 H new ATOM 0 HG12 ILE A 116 6.195 -7.144 -1.035 1.00 42.45 H new ATOM 0 HG13 ILE A 116 6.001 -8.828 -0.593 1.00 42.45 H new ATOM 0 HG21 ILE A 116 7.333 -9.792 1.295 1.00 74.33 H new ATOM 0 HG22 ILE A 116 8.543 -8.788 2.130 1.00 74.33 H new ATOM 0 HG23 ILE A 116 6.808 -8.508 2.410 1.00 74.33 H new ATOM 0 HD11 ILE A 116 4.084 -7.502 0.147 1.00 51.52 H new ATOM 0 HD12 ILE A 116 4.965 -8.161 1.546 1.00 51.52 H new ATOM 0 HD13 ILE A 116 5.161 -6.450 1.097 1.00 51.52 H new ATOM 1815 N SER A 117 10.251 -6.205 0.838 1.00 44.44 N ATOM 1816 CA SER A 117 11.626 -6.180 1.324 1.00 51.01 C ATOM 1817 C SER A 117 11.829 -5.042 2.320 1.00 65.23 C ATOM 1818 O SER A 117 12.624 -5.155 3.253 1.00 73.51 O ATOM 1819 CB SER A 117 12.600 -6.030 0.154 1.00 4.42 C ATOM 1820 OG SER A 117 13.022 -7.295 -0.324 1.00 72.23 O ATOM 0 H SER A 117 10.158 -6.084 -0.171 1.00 44.44 H new ATOM 0 HA SER A 117 11.823 -7.124 1.832 1.00 51.01 H new ATOM 0 HB2 SER A 117 12.122 -5.474 -0.652 1.00 4.42 H new ATOM 0 HB3 SER A 117 13.467 -5.450 0.470 1.00 4.42 H new ATOM 0 HG SER A 117 13.642 -7.172 -1.073 1.00 72.23 H new ATOM 1826 N GLN A 118 11.106 -3.947 2.113 1.00 51.31 N ATOM 1827 CA GLN A 118 11.207 -2.788 2.992 1.00 44.43 C ATOM 1828 C GLN A 118 9.846 -2.427 3.576 1.00 12.15 C ATOM 1829 O GLN A 118 9.096 -1.644 2.994 1.00 55.40 O ATOM 1830 CB GLN A 118 11.781 -1.592 2.229 1.00 2.15 C ATOM 1831 CG GLN A 118 11.079 -1.318 0.909 1.00 23.51 C ATOM 1832 CD GLN A 118 12.027 -1.353 -0.274 1.00 32.52 C ATOM 1833 OE1 GLN A 118 12.851 -2.392 -0.342 1.00 44.54 O flip ATOM 1834 NE2 GLN A 118 12.018 -0.457 -1.117 1.00 21.32 N flip ATOM 0 H GLN A 118 10.444 -3.838 1.345 1.00 51.31 H new ATOM 0 HA GLN A 118 11.878 -3.043 3.813 1.00 44.43 H new ATOM 0 HB2 GLN A 118 11.713 -0.704 2.858 1.00 2.15 H new ATOM 0 HB3 GLN A 118 12.840 -1.768 2.038 1.00 2.15 H new ATOM 0 HG2 GLN A 118 10.291 -2.057 0.761 1.00 23.51 H new ATOM 0 HG3 GLN A 118 10.596 -0.342 0.954 1.00 23.51 H new ATOM 0 HE21 GLN A 118 11.367 0.323 -1.025 1.00 21.32 H new ATOM 0 HE22 GLN A 118 12.661 -0.494 -1.908 1.00 21.32 H new ATOM 1843 N LYS A 119 9.532 -3.004 4.732 1.00 41.34 N ATOM 1844 CA LYS A 119 8.261 -2.743 5.397 1.00 21.31 C ATOM 1845 C LYS A 119 8.483 -2.298 6.839 1.00 42.31 C ATOM 1846 O LYS A 119 7.977 -1.259 7.263 1.00 1.31 O ATOM 1847 CB LYS A 119 7.381 -3.995 5.369 1.00 41.03 C ATOM 1848 CG LYS A 119 6.130 -3.879 6.223 1.00 45.32 C ATOM 1849 CD LYS A 119 5.328 -5.169 6.214 1.00 15.32 C ATOM 1850 CE LYS A 119 6.006 -6.253 7.038 1.00 55.20 C ATOM 1851 NZ LYS A 119 6.412 -7.414 6.199 1.00 33.32 N ATOM 0 H LYS A 119 10.141 -3.655 5.227 1.00 41.34 H new ATOM 0 HA LYS A 119 7.757 -1.939 4.860 1.00 21.31 H new ATOM 0 HB2 LYS A 119 7.090 -4.201 4.339 1.00 41.03 H new ATOM 0 HB3 LYS A 119 7.967 -4.848 5.711 1.00 41.03 H new ATOM 0 HG2 LYS A 119 6.409 -3.630 7.247 1.00 45.32 H new ATOM 0 HG3 LYS A 119 5.511 -3.062 5.854 1.00 45.32 H new ATOM 0 HD2 LYS A 119 4.330 -4.981 6.609 1.00 15.32 H new ATOM 0 HD3 LYS A 119 5.204 -5.515 5.188 1.00 15.32 H new ATOM 0 HE2 LYS A 119 6.884 -5.838 7.533 1.00 55.20 H new ATOM 0 HE3 LYS A 119 5.328 -6.591 7.822 1.00 55.20 H new ATOM 0 HZ1 LYS A 119 6.870 -8.131 6.797 1.00 33.32 H new ATOM 0 HZ2 LYS A 119 5.571 -7.826 5.747 1.00 33.32 H new ATOM 0 HZ3 LYS A 119 7.079 -7.097 5.466 1.00 33.32 H new ATOM 1865 N VAL A 120 9.244 -3.090 7.588 1.00 43.52 N ATOM 1866 CA VAL A 120 9.536 -2.775 8.981 1.00 34.03 C ATOM 1867 C VAL A 120 10.565 -1.656 9.089 1.00 41.25 C ATOM 1868 O VAL A 120 10.660 -0.981 10.113 1.00 54.02 O ATOM 1869 CB VAL A 120 10.056 -4.011 9.739 1.00 64.04 C ATOM 1870 CG1 VAL A 120 11.415 -4.433 9.201 1.00 25.05 C ATOM 1871 CG2 VAL A 120 10.128 -3.729 11.232 1.00 61.42 C ATOM 0 H VAL A 120 9.669 -3.954 7.253 1.00 43.52 H new ATOM 0 HA VAL A 120 8.600 -2.447 9.433 1.00 34.03 H new ATOM 0 HB VAL A 120 9.358 -4.833 9.582 1.00 64.04 H new ATOM 0 HG11 VAL A 120 11.767 -5.308 9.748 1.00 25.05 H new ATOM 0 HG12 VAL A 120 11.327 -4.678 8.143 1.00 25.05 H new ATOM 0 HG13 VAL A 120 12.126 -3.616 9.327 1.00 25.05 H new ATOM 0 HG21 VAL A 120 10.497 -4.613 11.752 1.00 61.42 H new ATOM 0 HG22 VAL A 120 10.804 -2.893 11.412 1.00 61.42 H new ATOM 0 HG23 VAL A 120 9.134 -3.478 11.603 1.00 61.42 H new ATOM 1881 N GLY A 121 11.336 -1.464 8.022 1.00 11.32 N ATOM 1882 CA GLY A 121 12.349 -0.425 8.017 1.00 52.55 C ATOM 1883 C GLY A 121 11.759 0.961 8.195 1.00 25.53 C ATOM 1884 O GLY A 121 12.422 1.864 8.704 1.00 31.32 O ATOM 0 H GLY A 121 11.277 -2.009 7.162 1.00 11.32 H new ATOM 0 HA2 GLY A 121 13.066 -0.617 8.816 1.00 52.55 H new ATOM 0 HA3 GLY A 121 12.900 -0.464 7.078 1.00 52.55 H new ATOM 1888 N GLY A 122 10.510 1.129 7.774 1.00 53.41 N ATOM 1889 CA GLY A 122 9.853 2.418 7.897 1.00 31.42 C ATOM 1890 C GLY A 122 9.005 2.754 6.687 1.00 55.01 C ATOM 1891 O GLY A 122 8.255 3.731 6.697 1.00 15.13 O ATOM 0 H GLY A 122 9.941 0.396 7.350 1.00 53.41 H new ATOM 0 HA2 GLY A 122 9.225 2.419 8.788 1.00 31.42 H new ATOM 0 HA3 GLY A 122 10.606 3.194 8.036 1.00 31.42 H new ATOM 1895 N LEU A 123 9.123 1.945 5.640 1.00 20.11 N ATOM 1896 CA LEU A 123 8.362 2.162 4.415 1.00 54.41 C ATOM 1897 C LEU A 123 7.039 1.404 4.454 1.00 70.33 C ATOM 1898 O LEU A 123 6.106 1.727 3.720 1.00 72.03 O ATOM 1899 CB LEU A 123 9.179 1.724 3.199 1.00 72.45 C ATOM 1900 CG LEU A 123 9.584 2.832 2.227 1.00 44.51 C ATOM 1901 CD1 LEU A 123 10.335 2.253 1.038 1.00 23.53 C ATOM 1902 CD2 LEU A 123 8.360 3.607 1.760 1.00 23.14 C ATOM 0 H LEU A 123 9.739 1.132 5.615 1.00 20.11 H new ATOM 0 HA LEU A 123 8.146 3.227 4.335 1.00 54.41 H new ATOM 0 HB2 LEU A 123 10.084 1.231 3.553 1.00 72.45 H new ATOM 0 HB3 LEU A 123 8.604 0.979 2.650 1.00 72.45 H new ATOM 0 HG LEU A 123 10.248 3.520 2.750 1.00 44.51 H new ATOM 0 HD11 LEU A 123 10.615 3.057 0.358 1.00 23.53 H new ATOM 0 HD12 LEU A 123 11.234 1.745 1.388 1.00 23.53 H new ATOM 0 HD13 LEU A 123 9.696 1.541 0.515 1.00 23.53 H new ATOM 0 HD21 LEU A 123 8.668 4.392 1.069 1.00 23.14 H new ATOM 0 HD22 LEU A 123 7.671 2.929 1.256 1.00 23.14 H new ATOM 0 HD23 LEU A 123 7.863 4.056 2.620 1.00 23.14 H new ATOM 1914 N GLU A 124 6.966 0.395 5.317 1.00 63.15 N ATOM 1915 CA GLU A 124 5.757 -0.408 5.451 1.00 32.44 C ATOM 1916 C GLU A 124 5.449 -1.150 4.154 1.00 31.30 C ATOM 1917 O GLU A 124 4.516 -1.951 4.092 1.00 44.32 O ATOM 1918 CB GLU A 124 4.571 0.477 5.839 1.00 34.14 C ATOM 1919 CG GLU A 124 3.845 0.008 7.089 1.00 12.54 C ATOM 1920 CD GLU A 124 2.622 0.848 7.403 1.00 55.02 C ATOM 1921 OE1 GLU A 124 2.791 1.970 7.924 1.00 52.42 O ATOM 1922 OE2 GLU A 124 1.496 0.383 7.128 1.00 52.24 O ATOM 0 H GLU A 124 7.729 0.115 5.933 1.00 63.15 H new ATOM 0 HA GLU A 124 5.926 -1.143 6.238 1.00 32.44 H new ATOM 0 HB2 GLU A 124 4.925 1.496 5.995 1.00 34.14 H new ATOM 0 HB3 GLU A 124 3.865 0.508 5.009 1.00 34.14 H new ATOM 0 HG2 GLU A 124 3.544 -1.032 6.961 1.00 12.54 H new ATOM 0 HG3 GLU A 124 4.530 0.040 7.936 1.00 12.54 H new