USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.19) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 158:sc= -0.0909 (180deg=-0.469) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 1 HIS N :NH3+ -106:sc= 0.0563 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -71:sc= 1.19 USER MOD Single : A 9 TYR OH : rot -60:sc= -0.688! USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 17 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.04 F(o=-2.5,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.599 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.161 K(o=-0.16,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= -0.0415 (180deg=-0.254) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= -0.049 (180deg=-0.372) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.952 F(o=-1.6,f=-0.95) USER MOD Single : A 38 THR OG1 : rot -40:sc= 0.0951 USER MOD Single : A 39 ASN : amide:sc= -3.76! C(o=-3.8!,f=-8.5!) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.176) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc=-0.00392 (180deg=-0.108) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0203 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= -0.607 (180deg=-0.661) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -0.0636 (180deg=-0.4) USER MOD Single : A 67 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.27) USER MOD Single : A 68 TYR OH : rot -169:sc= 0.974 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -6.962 1.879 4.877 1.00 20.14 N ATOM 2 CA HIS A 1 -6.835 1.498 3.475 1.00 34.12 C ATOM 3 C HIS A 1 -6.935 -0.016 3.312 1.00 1.14 C ATOM 4 O HIS A 1 -6.661 -0.769 4.246 1.00 65.30 O ATOM 5 CB HIS A 1 -5.507 1.997 2.907 1.00 43.40 C ATOM 6 CG HIS A 1 -5.527 3.444 2.519 1.00 30.14 C ATOM 7 ND1 HIS A 1 -5.460 4.470 3.438 1.00 12.20 N ATOM 8 CD2 HIS A 1 -5.605 4.034 1.304 1.00 75.34 C ATOM 9 CE1 HIS A 1 -5.499 5.629 2.804 1.00 25.42 C ATOM 10 NE2 HIS A 1 -5.586 5.392 1.508 1.00 71.42 N ATOM 0 H1 HIS A 1 -7.898 2.303 5.038 1.00 20.14 H new ATOM 0 H2 HIS A 1 -6.855 1.036 5.477 1.00 20.14 H new ATOM 0 H3 HIS A 1 -6.223 2.570 5.117 1.00 20.14 H new ATOM 0 HA HIS A 1 -7.654 1.960 2.923 1.00 34.12 H new ATOM 0 HB2 HIS A 1 -4.722 1.839 3.647 1.00 43.40 H new ATOM 0 HB3 HIS A 1 -5.247 1.399 2.034 1.00 43.40 H new ATOM 0 HD2 HIS A 1 -5.670 3.531 0.351 1.00 75.34 H new ATOM 0 HE1 HIS A 1 -5.465 6.604 3.267 1.00 25.42 H new ATOM 0 HE2 HIS A 1 -5.632 6.102 0.777 1.00 71.42 H new ATOM 18 N MET A 2 -7.330 -0.453 2.121 1.00 22.43 N ATOM 19 CA MET A 2 -7.465 -1.877 1.837 1.00 60.40 C ATOM 20 C MET A 2 -6.685 -2.258 0.582 1.00 14.42 C ATOM 21 O MET A 2 -6.285 -1.393 -0.198 1.00 50.31 O ATOM 22 CB MET A 2 -8.940 -2.248 1.667 1.00 4.41 C ATOM 23 CG MET A 2 -9.764 -2.054 2.929 1.00 12.33 C ATOM 24 SD MET A 2 -11.483 -2.557 2.720 1.00 21.33 S ATOM 25 CE MET A 2 -12.185 -1.075 2.001 1.00 41.22 C ATOM 0 H MET A 2 -7.562 0.158 1.338 1.00 22.43 H new ATOM 0 HA MET A 2 -7.054 -2.430 2.681 1.00 60.40 H new ATOM 0 HB2 MET A 2 -9.368 -1.644 0.867 1.00 4.41 H new ATOM 0 HB3 MET A 2 -9.011 -3.289 1.353 1.00 4.41 H new ATOM 0 HG2 MET A 2 -9.318 -2.628 3.741 1.00 12.33 H new ATOM 0 HG3 MET A 2 -9.730 -1.005 3.223 1.00 12.33 H new ATOM 0 HE1 MET A 2 -13.247 -1.230 1.813 1.00 41.22 H new ATOM 0 HE2 MET A 2 -12.056 -0.240 2.690 1.00 41.22 H new ATOM 0 HE3 MET A 2 -11.679 -0.852 1.062 1.00 41.22 H new ATOM 35 N LEU A 3 -6.473 -3.555 0.394 1.00 62.32 N ATOM 36 CA LEU A 3 -5.740 -4.050 -0.767 1.00 34.02 C ATOM 37 C LEU A 3 -6.653 -4.148 -1.985 1.00 61.12 C ATOM 38 O LEU A 3 -7.621 -4.907 -1.988 1.00 73.31 O ATOM 39 CB LEU A 3 -5.128 -5.418 -0.463 1.00 21.33 C ATOM 40 CG LEU A 3 -3.836 -5.756 -1.208 1.00 73.11 C ATOM 41 CD1 LEU A 3 -4.058 -5.703 -2.712 1.00 11.43 C ATOM 42 CD2 LEU A 3 -2.720 -4.807 -0.798 1.00 22.02 C ATOM 0 H LEU A 3 -6.798 -4.284 1.030 1.00 62.32 H new ATOM 0 HA LEU A 3 -4.941 -3.343 -0.990 1.00 34.02 H new ATOM 0 HB2 LEU A 3 -4.932 -5.476 0.608 1.00 21.33 H new ATOM 0 HB3 LEU A 3 -5.868 -6.184 -0.694 1.00 21.33 H new ATOM 0 HG LEU A 3 -3.539 -6.770 -0.941 1.00 73.11 H new ATOM 0 HD11 LEU A 3 -3.128 -5.946 -3.226 1.00 11.43 H new ATOM 0 HD12 LEU A 3 -4.826 -6.424 -2.992 1.00 11.43 H new ATOM 0 HD13 LEU A 3 -4.379 -4.701 -2.997 1.00 11.43 H new ATOM 0 HD21 LEU A 3 -1.808 -5.063 -1.338 1.00 22.02 H new ATOM 0 HD22 LEU A 3 -3.008 -3.783 -1.036 1.00 22.02 H new ATOM 0 HD23 LEU A 3 -2.543 -4.895 0.274 1.00 22.02 H new ATOM 54 N ALA A 4 -6.335 -3.376 -3.020 1.00 33.45 N ATOM 55 CA ALA A 4 -7.124 -3.380 -4.245 1.00 43.45 C ATOM 56 C ALA A 4 -7.058 -4.737 -4.937 1.00 34.33 C ATOM 57 O ALA A 4 -5.984 -5.321 -5.082 1.00 32.15 O ATOM 58 CB ALA A 4 -6.643 -2.283 -5.185 1.00 32.32 C ATOM 0 H ALA A 4 -5.537 -2.741 -3.034 1.00 33.45 H new ATOM 0 HA ALA A 4 -8.163 -3.188 -3.979 1.00 43.45 H new ATOM 0 HB1 ALA A 4 -7.241 -2.297 -6.096 1.00 32.32 H new ATOM 0 HB2 ALA A 4 -6.748 -1.314 -4.697 1.00 32.32 H new ATOM 0 HB3 ALA A 4 -5.596 -2.452 -5.435 1.00 32.32 H new ATOM 64 N LYS A 5 -8.214 -5.236 -5.362 1.00 15.25 N ATOM 65 CA LYS A 5 -8.290 -6.525 -6.038 1.00 63.04 C ATOM 66 C LYS A 5 -8.384 -6.341 -7.550 1.00 33.43 C ATOM 67 O LYS A 5 -9.102 -5.467 -8.033 1.00 53.04 O ATOM 68 CB LYS A 5 -9.496 -7.319 -5.534 1.00 35.50 C ATOM 69 CG LYS A 5 -9.261 -8.000 -4.197 1.00 23.32 C ATOM 70 CD LYS A 5 -8.323 -9.188 -4.333 1.00 41.05 C ATOM 71 CE LYS A 5 -9.084 -10.465 -4.653 1.00 32.43 C ATOM 72 NZ LYS A 5 -8.241 -11.443 -5.395 1.00 40.22 N ATOM 0 H LYS A 5 -9.112 -4.766 -5.250 1.00 15.25 H new ATOM 0 HA LYS A 5 -7.379 -7.080 -5.813 1.00 63.04 H new ATOM 0 HB2 LYS A 5 -10.351 -6.648 -5.445 1.00 35.50 H new ATOM 0 HB3 LYS A 5 -9.759 -8.074 -6.275 1.00 35.50 H new ATOM 0 HG2 LYS A 5 -8.841 -7.283 -3.491 1.00 23.32 H new ATOM 0 HG3 LYS A 5 -10.214 -8.333 -3.785 1.00 23.32 H new ATOM 0 HD2 LYS A 5 -7.595 -8.990 -5.120 1.00 41.05 H new ATOM 0 HD3 LYS A 5 -7.763 -9.319 -3.407 1.00 41.05 H new ATOM 0 HE2 LYS A 5 -9.437 -10.919 -3.727 1.00 32.43 H new ATOM 0 HE3 LYS A 5 -9.966 -10.223 -5.246 1.00 32.43 H new ATOM 0 HZ1 LYS A 5 -8.796 -12.299 -5.594 1.00 40.22 H new ATOM 0 HZ2 LYS A 5 -7.925 -11.020 -6.291 1.00 40.22 H new ATOM 0 HZ3 LYS A 5 -7.412 -11.694 -4.819 1.00 40.22 H new ATOM 86 N GLU A 6 -7.656 -7.172 -8.289 1.00 72.31 N ATOM 87 CA GLU A 6 -7.660 -7.101 -9.746 1.00 2.55 C ATOM 88 C GLU A 6 -8.596 -8.149 -10.340 1.00 14.44 C ATOM 89 O GLU A 6 -8.604 -9.303 -9.912 1.00 73.21 O ATOM 90 CB GLU A 6 -6.244 -7.298 -10.292 1.00 11.34 C ATOM 91 CG GLU A 6 -5.281 -6.189 -9.900 1.00 71.53 C ATOM 92 CD GLU A 6 -4.644 -6.422 -8.544 1.00 14.22 C ATOM 93 OE1 GLU A 6 -3.962 -5.503 -8.044 1.00 41.23 O ATOM 94 OE2 GLU A 6 -4.828 -7.522 -7.982 1.00 51.31 O ATOM 0 H GLU A 6 -7.056 -7.902 -7.904 1.00 72.31 H new ATOM 0 HA GLU A 6 -8.019 -6.113 -10.035 1.00 2.55 H new ATOM 0 HB2 GLU A 6 -5.854 -8.250 -9.932 1.00 11.34 H new ATOM 0 HB3 GLU A 6 -6.288 -7.362 -11.379 1.00 11.34 H new ATOM 0 HG2 GLU A 6 -4.499 -6.108 -10.655 1.00 71.53 H new ATOM 0 HG3 GLU A 6 -5.813 -5.238 -9.889 1.00 71.53 H new ATOM 101 N ASP A 7 -9.385 -7.737 -11.327 1.00 24.43 N ATOM 102 CA ASP A 7 -10.325 -8.640 -11.981 1.00 12.24 C ATOM 103 C ASP A 7 -9.943 -8.858 -13.441 1.00 64.41 C ATOM 104 O ASP A 7 -9.415 -7.960 -14.096 1.00 44.42 O ATOM 105 CB ASP A 7 -11.746 -8.082 -11.891 1.00 15.02 C ATOM 106 CG ASP A 7 -12.007 -7.369 -10.578 1.00 61.42 C ATOM 107 OD1 ASP A 7 -11.488 -7.830 -9.540 1.00 61.33 O ATOM 108 OD2 ASP A 7 -12.730 -6.351 -10.589 1.00 34.33 O ATOM 0 H ASP A 7 -9.392 -6.784 -11.691 1.00 24.43 H new ATOM 0 HA ASP A 7 -10.286 -9.600 -11.467 1.00 12.24 H new ATOM 0 HB2 ASP A 7 -11.914 -7.390 -12.716 1.00 15.02 H new ATOM 0 HB3 ASP A 7 -12.461 -8.897 -12.007 1.00 15.02 H new ATOM 113 N TYR A 8 -10.211 -10.058 -13.944 1.00 55.14 N ATOM 114 CA TYR A 8 -9.892 -10.396 -15.326 1.00 52.03 C ATOM 115 C TYR A 8 -10.624 -9.473 -16.296 1.00 5.41 C ATOM 116 O TYR A 8 -10.178 -9.260 -17.424 1.00 12.10 O ATOM 117 CB TYR A 8 -10.261 -11.852 -15.615 1.00 65.23 C ATOM 118 CG TYR A 8 -9.656 -12.835 -14.638 1.00 72.01 C ATOM 119 CD1 TYR A 8 -10.392 -13.914 -14.163 1.00 52.30 C ATOM 120 CD2 TYR A 8 -8.350 -12.685 -14.189 1.00 51.31 C ATOM 121 CE1 TYR A 8 -9.845 -14.814 -13.270 1.00 4.14 C ATOM 122 CE2 TYR A 8 -7.794 -13.581 -13.297 1.00 1.20 C ATOM 123 CZ TYR A 8 -8.545 -14.644 -12.840 1.00 11.50 C ATOM 124 OH TYR A 8 -7.995 -15.538 -11.950 1.00 51.51 O ATOM 0 H TYR A 8 -10.648 -10.813 -13.415 1.00 55.14 H new ATOM 0 HA TYR A 8 -8.819 -10.264 -15.467 1.00 52.03 H new ATOM 0 HB2 TYR A 8 -11.346 -11.954 -15.595 1.00 65.23 H new ATOM 0 HB3 TYR A 8 -9.935 -12.107 -16.623 1.00 65.23 H new ATOM 0 HD1 TYR A 8 -11.409 -14.051 -14.498 1.00 52.30 H new ATOM 0 HD2 TYR A 8 -7.759 -11.853 -14.544 1.00 51.31 H new ATOM 0 HE1 TYR A 8 -10.431 -15.646 -12.910 1.00 4.14 H new ATOM 0 HE2 TYR A 8 -6.777 -13.450 -12.959 1.00 1.20 H new ATOM 0 HH TYR A 8 -8.411 -15.422 -11.070 1.00 51.51 H new ATOM 134 N TYR A 9 -11.748 -8.926 -15.848 1.00 32.34 N ATOM 135 CA TYR A 9 -12.544 -8.027 -16.675 1.00 3.23 C ATOM 136 C TYR A 9 -11.680 -6.908 -17.249 1.00 0.12 C ATOM 137 O TYR A 9 -11.720 -6.632 -18.447 1.00 52.43 O ATOM 138 CB TYR A 9 -13.693 -7.432 -15.859 1.00 5.13 C ATOM 139 CG TYR A 9 -14.656 -8.468 -15.325 1.00 52.33 C ATOM 140 CD1 TYR A 9 -14.616 -8.862 -13.993 1.00 41.44 C ATOM 141 CD2 TYR A 9 -15.606 -9.053 -16.153 1.00 32.10 C ATOM 142 CE1 TYR A 9 -15.494 -9.808 -13.502 1.00 21.24 C ATOM 143 CE2 TYR A 9 -16.489 -9.999 -15.670 1.00 30.25 C ATOM 144 CZ TYR A 9 -16.429 -10.374 -14.343 1.00 41.44 C ATOM 145 OH TYR A 9 -17.306 -11.317 -13.858 1.00 44.23 O ATOM 0 H TYR A 9 -12.129 -9.089 -14.916 1.00 32.34 H new ATOM 0 HA TYR A 9 -12.956 -8.605 -17.502 1.00 3.23 H new ATOM 0 HB2 TYR A 9 -13.280 -6.867 -15.023 1.00 5.13 H new ATOM 0 HB3 TYR A 9 -14.241 -6.725 -16.481 1.00 5.13 H new ATOM 0 HD1 TYR A 9 -13.886 -8.421 -13.331 1.00 41.44 H new ATOM 0 HD2 TYR A 9 -15.655 -8.763 -17.192 1.00 32.10 H new ATOM 0 HE1 TYR A 9 -15.449 -10.103 -12.464 1.00 21.24 H new ATOM 0 HE2 TYR A 9 -17.222 -10.443 -16.327 1.00 30.25 H new ATOM 0 HH TYR A 9 -16.803 -12.085 -13.514 1.00 44.23 H new ATOM 155 N GLN A 10 -10.900 -6.269 -16.384 1.00 5.55 N ATOM 156 CA GLN A 10 -10.026 -5.179 -16.804 1.00 23.53 C ATOM 157 C GLN A 10 -8.873 -5.703 -17.654 1.00 73.53 C ATOM 158 O GLN A 10 -8.505 -5.096 -18.660 1.00 55.12 O ATOM 159 CB GLN A 10 -9.478 -4.437 -15.584 1.00 32.04 C ATOM 160 CG GLN A 10 -10.561 -3.900 -14.662 1.00 11.41 C ATOM 161 CD GLN A 10 -11.182 -2.616 -15.177 1.00 63.00 C ATOM 162 OE1 GLN A 10 -10.512 -1.589 -15.285 1.00 43.40 O ATOM 163 NE2 GLN A 10 -12.469 -2.668 -15.499 1.00 31.14 N ATOM 0 H GLN A 10 -10.855 -6.486 -15.388 1.00 5.55 H new ATOM 0 HA GLN A 10 -10.614 -4.488 -17.407 1.00 23.53 H new ATOM 0 HB2 GLN A 10 -8.833 -5.110 -15.019 1.00 32.04 H new ATOM 0 HB3 GLN A 10 -8.856 -3.608 -15.922 1.00 32.04 H new ATOM 0 HG2 GLN A 10 -11.339 -4.654 -14.544 1.00 11.41 H new ATOM 0 HG3 GLN A 10 -10.137 -3.723 -13.674 1.00 11.41 H new ATOM 0 HE21 GLN A 10 -12.986 -3.541 -15.394 1.00 31.14 H new ATOM 0 HE22 GLN A 10 -12.940 -1.835 -15.852 1.00 31.14 H new ATOM 172 N ILE A 11 -8.308 -6.834 -17.244 1.00 3.53 N ATOM 173 CA ILE A 11 -7.198 -7.439 -17.969 1.00 4.02 C ATOM 174 C ILE A 11 -7.585 -7.744 -19.412 1.00 22.22 C ATOM 175 O ILE A 11 -6.725 -7.857 -20.286 1.00 62.34 O ATOM 176 CB ILE A 11 -6.724 -8.738 -17.291 1.00 1.05 C ATOM 177 CG1 ILE A 11 -6.284 -8.457 -15.852 1.00 44.14 C ATOM 178 CG2 ILE A 11 -5.589 -9.366 -18.085 1.00 25.54 C ATOM 179 CD1 ILE A 11 -6.145 -9.704 -15.008 1.00 74.30 C ATOM 0 H ILE A 11 -8.601 -7.349 -16.414 1.00 3.53 H new ATOM 0 HA ILE A 11 -6.383 -6.715 -17.959 1.00 4.02 H new ATOM 0 HB ILE A 11 -7.556 -9.442 -17.265 1.00 1.05 H new ATOM 0 HG12 ILE A 11 -5.329 -7.931 -15.869 1.00 44.14 H new ATOM 0 HG13 ILE A 11 -7.007 -7.790 -15.383 1.00 44.14 H new ATOM 0 HG21 ILE A 11 -5.265 -10.283 -17.593 1.00 25.54 H new ATOM 0 HG22 ILE A 11 -5.934 -9.597 -19.093 1.00 25.54 H new ATOM 0 HG23 ILE A 11 -4.753 -8.668 -18.139 1.00 25.54 H new ATOM 0 HD11 ILE A 11 -5.831 -9.429 -14.001 1.00 74.30 H new ATOM 0 HD12 ILE A 11 -7.104 -10.220 -14.960 1.00 74.30 H new ATOM 0 HD13 ILE A 11 -5.400 -10.364 -15.453 1.00 74.30 H new ATOM 191 N LEU A 12 -8.884 -7.875 -19.655 1.00 13.33 N ATOM 192 CA LEU A 12 -9.387 -8.165 -20.993 1.00 50.11 C ATOM 193 C LEU A 12 -10.066 -6.940 -21.597 1.00 73.01 C ATOM 194 O LEU A 12 -10.302 -6.880 -22.803 1.00 14.11 O ATOM 195 CB LEU A 12 -10.370 -9.336 -20.947 1.00 64.43 C ATOM 196 CG LEU A 12 -9.778 -10.720 -21.222 1.00 13.44 C ATOM 197 CD1 LEU A 12 -10.789 -11.807 -20.893 1.00 74.14 C ATOM 198 CD2 LEU A 12 -9.327 -10.829 -22.671 1.00 5.43 C ATOM 0 H LEU A 12 -9.609 -7.785 -18.943 1.00 13.33 H new ATOM 0 HA LEU A 12 -8.539 -8.435 -21.622 1.00 50.11 H new ATOM 0 HB2 LEU A 12 -10.839 -9.352 -19.963 1.00 64.43 H new ATOM 0 HB3 LEU A 12 -11.160 -9.150 -21.674 1.00 64.43 H new ATOM 0 HG LEU A 12 -8.907 -10.856 -20.581 1.00 13.44 H new ATOM 0 HD11 LEU A 12 -10.351 -12.784 -21.095 1.00 74.14 H new ATOM 0 HD12 LEU A 12 -11.063 -11.742 -19.840 1.00 74.14 H new ATOM 0 HD13 LEU A 12 -11.679 -11.674 -21.508 1.00 74.14 H new ATOM 0 HD21 LEU A 12 -8.909 -11.820 -22.848 1.00 5.43 H new ATOM 0 HD22 LEU A 12 -10.181 -10.672 -23.331 1.00 5.43 H new ATOM 0 HD23 LEU A 12 -8.568 -10.073 -22.874 1.00 5.43 H new ATOM 210 N GLY A 13 -10.376 -5.963 -20.750 1.00 33.33 N ATOM 211 CA GLY A 13 -11.023 -4.752 -21.219 1.00 13.13 C ATOM 212 C GLY A 13 -12.507 -4.944 -21.461 1.00 52.23 C ATOM 213 O GLY A 13 -13.117 -4.210 -22.240 1.00 4.15 O ATOM 0 H GLY A 13 -10.190 -5.989 -19.747 1.00 33.33 H new ATOM 0 HA2 GLY A 13 -10.877 -3.959 -20.486 1.00 13.13 H new ATOM 0 HA3 GLY A 13 -10.547 -4.424 -22.143 1.00 13.13 H new ATOM 217 N VAL A 14 -13.091 -5.935 -20.795 1.00 10.33 N ATOM 218 CA VAL A 14 -14.513 -6.222 -20.942 1.00 41.31 C ATOM 219 C VAL A 14 -15.278 -5.879 -19.669 1.00 24.25 C ATOM 220 O VAL A 14 -14.736 -5.907 -18.563 1.00 50.22 O ATOM 221 CB VAL A 14 -14.753 -7.703 -21.290 1.00 14.14 C ATOM 222 CG1 VAL A 14 -14.001 -8.083 -22.556 1.00 31.43 C ATOM 223 CG2 VAL A 14 -14.344 -8.595 -20.128 1.00 33.52 C ATOM 0 H VAL A 14 -12.601 -6.553 -20.148 1.00 10.33 H new ATOM 0 HA VAL A 14 -14.879 -5.601 -21.759 1.00 41.31 H new ATOM 0 HB VAL A 14 -15.818 -7.848 -21.472 1.00 14.14 H new ATOM 0 HG11 VAL A 14 -14.183 -9.133 -22.786 1.00 31.43 H new ATOM 0 HG12 VAL A 14 -14.347 -7.465 -23.384 1.00 31.43 H new ATOM 0 HG13 VAL A 14 -12.933 -7.924 -22.406 1.00 31.43 H new ATOM 0 HG21 VAL A 14 -14.520 -9.638 -20.391 1.00 33.52 H new ATOM 0 HG22 VAL A 14 -13.286 -8.449 -19.912 1.00 33.52 H new ATOM 0 HG23 VAL A 14 -14.933 -8.338 -19.247 1.00 33.52 H new ATOM 233 N PRO A 15 -16.568 -5.549 -19.824 1.00 52.51 N ATOM 234 CA PRO A 15 -17.436 -5.195 -18.697 1.00 32.00 C ATOM 235 C PRO A 15 -17.749 -6.394 -17.808 1.00 51.21 C ATOM 236 O PRO A 15 -17.356 -7.521 -18.109 1.00 71.01 O ATOM 237 CB PRO A 15 -18.710 -4.686 -19.376 1.00 70.13 C ATOM 238 CG PRO A 15 -18.721 -5.352 -20.709 1.00 20.54 C ATOM 239 CD PRO A 15 -17.279 -5.495 -21.112 1.00 55.23 C ATOM 0 HA PRO A 15 -16.968 -4.465 -18.036 1.00 32.00 H new ATOM 0 HB2 PRO A 15 -19.597 -4.944 -18.797 1.00 70.13 H new ATOM 0 HB3 PRO A 15 -18.699 -3.601 -19.476 1.00 70.13 H new ATOM 0 HG2 PRO A 15 -19.210 -6.325 -20.655 1.00 20.54 H new ATOM 0 HG3 PRO A 15 -19.273 -4.758 -21.438 1.00 20.54 H new ATOM 0 HD2 PRO A 15 -17.114 -6.398 -21.700 1.00 55.23 H new ATOM 0 HD3 PRO A 15 -16.946 -4.653 -21.720 1.00 55.23 H new ATOM 247 N ARG A 16 -18.459 -6.143 -16.713 1.00 22.23 N ATOM 248 CA ARG A 16 -18.824 -7.202 -15.780 1.00 24.52 C ATOM 249 C ARG A 16 -20.010 -8.005 -16.306 1.00 22.43 C ATOM 250 O ARG A 16 -20.368 -9.041 -15.746 1.00 51.41 O ATOM 251 CB ARG A 16 -19.162 -6.611 -14.410 1.00 43.11 C ATOM 252 CG ARG A 16 -18.099 -5.664 -13.877 1.00 11.04 C ATOM 253 CD ARG A 16 -16.860 -6.418 -13.419 1.00 51.34 C ATOM 254 NE ARG A 16 -17.100 -7.173 -12.193 1.00 13.24 N ATOM 255 CZ ARG A 16 -17.165 -6.617 -10.988 1.00 41.41 C ATOM 256 NH1 ARG A 16 -17.008 -5.307 -10.850 1.00 34.34 N ATOM 257 NH2 ARG A 16 -17.387 -7.370 -9.919 1.00 30.41 N ATOM 0 H ARG A 16 -18.793 -5.216 -16.450 1.00 22.23 H new ATOM 0 HA ARG A 16 -17.970 -7.872 -15.678 1.00 24.52 H new ATOM 0 HB2 ARG A 16 -20.111 -6.078 -14.477 1.00 43.11 H new ATOM 0 HB3 ARG A 16 -19.303 -7.424 -13.698 1.00 43.11 H new ATOM 0 HG2 ARG A 16 -17.825 -4.949 -14.653 1.00 11.04 H new ATOM 0 HG3 ARG A 16 -18.506 -5.090 -13.044 1.00 11.04 H new ATOM 0 HD2 ARG A 16 -16.539 -7.099 -14.207 1.00 51.34 H new ATOM 0 HD3 ARG A 16 -16.046 -5.712 -13.256 1.00 51.34 H new ATOM 0 HE ARG A 16 -17.225 -8.183 -12.265 1.00 13.24 H new ATOM 0 HH11 ARG A 16 -16.837 -4.725 -11.670 1.00 34.34 H new ATOM 0 HH12 ARG A 16 -17.058 -4.882 -9.924 1.00 34.34 H new ATOM 0 HH21 ARG A 16 -17.508 -8.378 -10.021 1.00 30.41 H new ATOM 0 HH22 ARG A 16 -17.437 -6.941 -8.995 1.00 30.41 H new ATOM 271 N ASN A 17 -20.615 -7.520 -17.385 1.00 1.42 N ATOM 272 CA ASN A 17 -21.761 -8.191 -17.986 1.00 34.32 C ATOM 273 C ASN A 17 -21.401 -8.765 -19.353 1.00 2.13 C ATOM 274 O ASN A 17 -22.247 -9.333 -20.041 1.00 74.55 O ATOM 275 CB ASN A 17 -22.935 -7.219 -18.122 1.00 1.13 C ATOM 276 CG ASN A 17 -23.547 -6.861 -16.781 1.00 52.33 C ATOM 277 OD1 ASN A 17 -23.486 -7.640 -15.830 1.00 43.12 O ATOM 278 ND2 ASN A 17 -24.143 -5.676 -16.701 1.00 25.44 N ATOM 0 H ASN A 17 -20.330 -6.664 -17.861 1.00 1.42 H new ATOM 0 HA ASN A 17 -22.052 -9.013 -17.332 1.00 34.32 H new ATOM 0 HB2 ASN A 17 -22.595 -6.310 -18.618 1.00 1.13 H new ATOM 0 HB3 ASN A 17 -23.699 -7.663 -18.760 1.00 1.13 H new ATOM 0 HD21 ASN A 17 -24.574 -5.380 -15.825 1.00 25.44 H new ATOM 0 HD22 ASN A 17 -24.169 -5.062 -17.515 1.00 25.44 H new ATOM 285 N ALA A 18 -20.138 -8.612 -19.738 1.00 52.22 N ATOM 286 CA ALA A 18 -19.665 -9.117 -21.021 1.00 5.41 C ATOM 287 C ALA A 18 -19.990 -10.598 -21.182 1.00 51.42 C ATOM 288 O ALA A 18 -20.178 -11.312 -20.198 1.00 31.32 O ATOM 289 CB ALA A 18 -18.167 -8.885 -21.159 1.00 30.33 C ATOM 0 H ALA A 18 -19.425 -8.143 -19.180 1.00 52.22 H new ATOM 0 HA ALA A 18 -20.181 -8.571 -21.811 1.00 5.41 H new ATOM 0 HB1 ALA A 18 -17.827 -9.267 -22.122 1.00 30.33 H new ATOM 0 HB2 ALA A 18 -17.957 -7.817 -21.097 1.00 30.33 H new ATOM 0 HB3 ALA A 18 -17.643 -9.405 -20.357 1.00 30.33 H new ATOM 295 N SER A 19 -20.056 -11.052 -22.430 1.00 2.04 N ATOM 296 CA SER A 19 -20.363 -12.448 -22.720 1.00 14.45 C ATOM 297 C SER A 19 -19.122 -13.187 -23.208 1.00 24.55 C ATOM 298 O SER A 19 -18.098 -12.573 -23.507 1.00 12.14 O ATOM 299 CB SER A 19 -21.472 -12.540 -23.770 1.00 42.11 C ATOM 300 OG SER A 19 -22.579 -11.730 -23.415 1.00 73.25 O ATOM 0 H SER A 19 -19.901 -10.474 -23.256 1.00 2.04 H new ATOM 0 HA SER A 19 -20.705 -12.919 -21.798 1.00 14.45 H new ATOM 0 HB2 SER A 19 -21.085 -12.228 -24.740 1.00 42.11 H new ATOM 0 HB3 SER A 19 -21.794 -13.576 -23.874 1.00 42.11 H new ATOM 0 HG SER A 19 -23.273 -11.805 -24.103 1.00 73.25 H new ATOM 306 N GLN A 20 -19.221 -14.511 -23.285 1.00 11.41 N ATOM 307 CA GLN A 20 -18.106 -15.335 -23.736 1.00 10.13 C ATOM 308 C GLN A 20 -17.700 -14.970 -25.160 1.00 34.21 C ATOM 309 O GLN A 20 -16.551 -15.162 -25.558 1.00 74.43 O ATOM 310 CB GLN A 20 -18.478 -16.817 -23.662 1.00 45.12 C ATOM 311 CG GLN A 20 -19.140 -17.214 -22.353 1.00 14.20 C ATOM 312 CD GLN A 20 -18.469 -16.588 -21.146 1.00 74.30 C ATOM 313 OE1 GLN A 20 -17.393 -17.210 -20.678 1.00 45.20 O flip ATOM 314 NE2 GLN A 20 -18.914 -15.558 -20.639 1.00 50.35 N flip ATOM 0 H GLN A 20 -20.061 -15.035 -23.041 1.00 11.41 H new ATOM 0 HA GLN A 20 -17.258 -15.147 -23.077 1.00 10.13 H new ATOM 0 HB2 GLN A 20 -19.150 -17.056 -24.486 1.00 45.12 H new ATOM 0 HB3 GLN A 20 -17.578 -17.416 -23.801 1.00 45.12 H new ATOM 0 HG2 GLN A 20 -20.188 -16.917 -22.376 1.00 14.20 H new ATOM 0 HG3 GLN A 20 -19.118 -18.299 -22.254 1.00 14.20 H new ATOM 0 HE21 GLN A 20 -19.744 -15.113 -21.032 1.00 50.35 H new ATOM 0 HE22 GLN A 20 -18.453 -15.149 -19.826 1.00 50.35 H new ATOM 323 N LYS A 21 -18.651 -14.443 -25.924 1.00 31.11 N ATOM 324 CA LYS A 21 -18.394 -14.050 -27.304 1.00 61.03 C ATOM 325 C LYS A 21 -17.602 -12.747 -27.361 1.00 34.34 C ATOM 326 O LYS A 21 -16.618 -12.640 -28.091 1.00 20.50 O ATOM 327 CB LYS A 21 -19.712 -13.892 -28.065 1.00 53.51 C ATOM 328 CG LYS A 21 -19.530 -13.532 -29.530 1.00 21.05 C ATOM 329 CD LYS A 21 -20.709 -13.995 -30.368 1.00 71.35 C ATOM 330 CE LYS A 21 -21.843 -12.981 -30.345 1.00 24.33 C ATOM 331 NZ LYS A 21 -21.454 -11.700 -30.996 1.00 1.42 N ATOM 0 H LYS A 21 -19.607 -14.278 -25.610 1.00 31.11 H new ATOM 0 HA LYS A 21 -17.802 -14.835 -27.774 1.00 61.03 H new ATOM 0 HB2 LYS A 21 -20.276 -14.822 -27.996 1.00 53.51 H new ATOM 0 HB3 LYS A 21 -20.311 -13.120 -27.582 1.00 53.51 H new ATOM 0 HG2 LYS A 21 -19.414 -12.453 -29.629 1.00 21.05 H new ATOM 0 HG3 LYS A 21 -18.614 -13.987 -29.906 1.00 21.05 H new ATOM 0 HD2 LYS A 21 -20.385 -14.156 -31.396 1.00 71.35 H new ATOM 0 HD3 LYS A 21 -21.069 -14.953 -29.993 1.00 71.35 H new ATOM 0 HE2 LYS A 21 -22.713 -13.397 -30.853 1.00 24.33 H new ATOM 0 HE3 LYS A 21 -22.138 -12.789 -29.313 1.00 24.33 H new ATOM 0 HZ1 LYS A 21 -22.309 -11.190 -31.296 1.00 1.42 H new ATOM 0 HZ2 LYS A 21 -20.921 -11.115 -30.321 1.00 1.42 H new ATOM 0 HZ3 LYS A 21 -20.860 -11.899 -31.826 1.00 1.42 H new ATOM 345 N GLU A 22 -18.039 -11.761 -26.584 1.00 1.32 N ATOM 346 CA GLU A 22 -17.370 -10.466 -26.546 1.00 45.11 C ATOM 347 C GLU A 22 -15.943 -10.606 -26.022 1.00 13.23 C ATOM 348 O GLU A 22 -15.025 -9.945 -26.508 1.00 24.52 O ATOM 349 CB GLU A 22 -18.153 -9.487 -25.669 1.00 52.03 C ATOM 350 CG GLU A 22 -17.475 -8.137 -25.508 1.00 22.13 C ATOM 351 CD GLU A 22 -18.449 -7.035 -25.140 1.00 50.32 C ATOM 352 OE1 GLU A 22 -18.536 -6.696 -23.941 1.00 43.01 O ATOM 353 OE2 GLU A 22 -19.125 -6.511 -26.050 1.00 64.35 O ATOM 0 H GLU A 22 -18.852 -11.834 -25.973 1.00 1.32 H new ATOM 0 HA GLU A 22 -17.329 -10.077 -27.564 1.00 45.11 H new ATOM 0 HB2 GLU A 22 -19.143 -9.338 -26.100 1.00 52.03 H new ATOM 0 HB3 GLU A 22 -18.298 -9.931 -24.684 1.00 52.03 H new ATOM 0 HG2 GLU A 22 -16.707 -8.210 -24.738 1.00 22.13 H new ATOM 0 HG3 GLU A 22 -16.970 -7.875 -26.438 1.00 22.13 H new ATOM 360 N ILE A 23 -15.767 -11.469 -25.027 1.00 70.11 N ATOM 361 CA ILE A 23 -14.454 -11.696 -24.437 1.00 63.11 C ATOM 362 C ILE A 23 -13.459 -12.190 -25.482 1.00 74.33 C ATOM 363 O ILE A 23 -12.278 -11.847 -25.443 1.00 24.45 O ATOM 364 CB ILE A 23 -14.522 -12.718 -23.287 1.00 13.23 C ATOM 365 CG1 ILE A 23 -15.458 -12.216 -22.185 1.00 3.22 C ATOM 366 CG2 ILE A 23 -13.132 -12.982 -22.729 1.00 3.30 C ATOM 367 CD1 ILE A 23 -16.154 -13.327 -21.431 1.00 13.21 C ATOM 0 H ILE A 23 -16.517 -12.022 -24.613 1.00 70.11 H new ATOM 0 HA ILE A 23 -14.117 -10.738 -24.042 1.00 63.11 H new ATOM 0 HB ILE A 23 -14.919 -13.655 -23.677 1.00 13.23 H new ATOM 0 HG12 ILE A 23 -14.886 -11.613 -21.480 1.00 3.22 H new ATOM 0 HG13 ILE A 23 -16.209 -11.562 -22.628 1.00 3.22 H new ATOM 0 HG21 ILE A 23 -13.197 -13.706 -21.917 1.00 3.30 H new ATOM 0 HG22 ILE A 23 -12.492 -13.378 -23.518 1.00 3.30 H new ATOM 0 HG23 ILE A 23 -12.709 -12.051 -22.352 1.00 3.30 H new ATOM 0 HD11 ILE A 23 -16.801 -12.898 -20.666 1.00 13.21 H new ATOM 0 HD12 ILE A 23 -16.754 -13.917 -22.124 1.00 13.21 H new ATOM 0 HD13 ILE A 23 -15.410 -13.968 -20.959 1.00 13.21 H new ATOM 379 N LYS A 24 -13.946 -12.997 -26.419 1.00 73.20 N ATOM 380 CA LYS A 24 -13.102 -13.537 -27.478 1.00 75.34 C ATOM 381 C LYS A 24 -12.526 -12.418 -28.339 1.00 54.42 C ATOM 382 O LYS A 24 -11.365 -12.467 -28.744 1.00 42.34 O ATOM 383 CB LYS A 24 -13.903 -14.506 -28.352 1.00 25.32 C ATOM 384 CG LYS A 24 -14.035 -15.896 -27.754 1.00 61.30 C ATOM 385 CD LYS A 24 -14.457 -16.915 -28.799 1.00 55.14 C ATOM 386 CE LYS A 24 -15.950 -16.836 -29.083 1.00 44.14 C ATOM 387 NZ LYS A 24 -16.751 -17.522 -28.032 1.00 54.35 N ATOM 0 H LYS A 24 -14.921 -13.291 -26.466 1.00 73.20 H new ATOM 0 HA LYS A 24 -12.276 -14.074 -27.012 1.00 75.34 H new ATOM 0 HB2 LYS A 24 -14.899 -14.095 -28.518 1.00 25.32 H new ATOM 0 HB3 LYS A 24 -13.424 -14.583 -29.328 1.00 25.32 H new ATOM 0 HG2 LYS A 24 -13.083 -16.196 -27.315 1.00 61.30 H new ATOM 0 HG3 LYS A 24 -14.767 -15.878 -26.946 1.00 61.30 H new ATOM 0 HD2 LYS A 24 -13.901 -16.744 -29.721 1.00 55.14 H new ATOM 0 HD3 LYS A 24 -14.204 -17.918 -28.454 1.00 55.14 H new ATOM 0 HE2 LYS A 24 -16.253 -15.791 -29.146 1.00 44.14 H new ATOM 0 HE3 LYS A 24 -16.160 -17.288 -30.052 1.00 44.14 H new ATOM 0 HZ1 LYS A 24 -17.763 -17.446 -28.262 1.00 54.35 H new ATOM 0 HZ2 LYS A 24 -16.480 -18.525 -27.989 1.00 54.35 H new ATOM 0 HZ3 LYS A 24 -16.571 -17.075 -27.111 1.00 54.35 H new ATOM 401 N LYS A 25 -13.345 -11.408 -28.614 1.00 52.03 N ATOM 402 CA LYS A 25 -12.917 -10.274 -29.425 1.00 11.14 C ATOM 403 C LYS A 25 -11.948 -9.386 -28.650 1.00 35.34 C ATOM 404 O LYS A 25 -10.894 -9.010 -29.159 1.00 44.23 O ATOM 405 CB LYS A 25 -14.129 -9.454 -29.873 1.00 33.43 C ATOM 406 CG LYS A 25 -15.082 -10.220 -30.774 1.00 63.44 C ATOM 407 CD LYS A 25 -16.390 -9.472 -30.967 1.00 72.41 C ATOM 408 CE LYS A 25 -17.077 -9.875 -32.263 1.00 61.21 C ATOM 409 NZ LYS A 25 -18.554 -9.701 -32.186 1.00 2.02 N ATOM 0 H LYS A 25 -14.309 -11.352 -28.287 1.00 52.03 H new ATOM 0 HA LYS A 25 -12.403 -10.662 -30.305 1.00 11.14 H new ATOM 0 HB2 LYS A 25 -14.672 -9.112 -28.992 1.00 33.43 H new ATOM 0 HB3 LYS A 25 -13.781 -8.565 -30.398 1.00 33.43 H new ATOM 0 HG2 LYS A 25 -14.612 -10.388 -31.743 1.00 63.44 H new ATOM 0 HG3 LYS A 25 -15.283 -11.201 -30.343 1.00 63.44 H new ATOM 0 HD2 LYS A 25 -17.053 -9.673 -30.125 1.00 72.41 H new ATOM 0 HD3 LYS A 25 -16.199 -8.399 -30.974 1.00 72.41 H new ATOM 0 HE2 LYS A 25 -16.683 -9.276 -33.084 1.00 61.21 H new ATOM 0 HE3 LYS A 25 -16.845 -10.916 -32.488 1.00 61.21 H new ATOM 0 HZ1 LYS A 25 -18.985 -9.986 -33.089 1.00 2.02 H new ATOM 0 HZ2 LYS A 25 -18.934 -10.292 -31.419 1.00 2.02 H new ATOM 0 HZ3 LYS A 25 -18.777 -8.703 -31.997 1.00 2.02 H new ATOM 423 N ALA A 26 -12.313 -9.057 -27.415 1.00 15.12 N ATOM 424 CA ALA A 26 -11.475 -8.217 -26.569 1.00 0.12 C ATOM 425 C ALA A 26 -10.141 -8.894 -26.273 1.00 43.44 C ATOM 426 O ALA A 26 -9.121 -8.227 -26.098 1.00 43.42 O ATOM 427 CB ALA A 26 -12.199 -7.884 -25.272 1.00 63.34 C ATOM 0 H ALA A 26 -13.184 -9.360 -26.978 1.00 15.12 H new ATOM 0 HA ALA A 26 -11.272 -7.291 -27.107 1.00 0.12 H new ATOM 0 HB1 ALA A 26 -11.561 -7.256 -24.650 1.00 63.34 H new ATOM 0 HB2 ALA A 26 -13.123 -7.352 -25.497 1.00 63.34 H new ATOM 0 HB3 ALA A 26 -12.432 -8.805 -24.738 1.00 63.34 H new ATOM 433 N TYR A 27 -10.155 -10.221 -26.219 1.00 13.32 N ATOM 434 CA TYR A 27 -8.947 -10.987 -25.941 1.00 65.53 C ATOM 435 C TYR A 27 -8.003 -10.970 -27.140 1.00 1.20 C ATOM 436 O TYR A 27 -6.782 -10.959 -26.983 1.00 62.31 O ATOM 437 CB TYR A 27 -9.304 -12.430 -25.581 1.00 32.32 C ATOM 438 CG TYR A 27 -8.101 -13.334 -25.435 1.00 61.11 C ATOM 439 CD1 TYR A 27 -7.015 -12.958 -24.654 1.00 34.23 C ATOM 440 CD2 TYR A 27 -8.050 -14.565 -26.078 1.00 51.12 C ATOM 441 CE1 TYR A 27 -5.914 -13.781 -24.518 1.00 43.45 C ATOM 442 CE2 TYR A 27 -6.953 -15.394 -25.947 1.00 71.45 C ATOM 443 CZ TYR A 27 -5.887 -14.998 -25.167 1.00 53.40 C ATOM 444 OH TYR A 27 -4.792 -15.820 -25.034 1.00 34.33 O ATOM 0 H TYR A 27 -10.990 -10.788 -26.364 1.00 13.32 H new ATOM 0 HA TYR A 27 -8.440 -10.523 -25.095 1.00 65.53 H new ATOM 0 HB2 TYR A 27 -9.866 -12.434 -24.647 1.00 32.32 H new ATOM 0 HB3 TYR A 27 -9.961 -12.835 -26.350 1.00 32.32 H new ATOM 0 HD1 TYR A 27 -7.032 -12.006 -24.145 1.00 34.23 H new ATOM 0 HD2 TYR A 27 -8.882 -14.879 -26.691 1.00 51.12 H new ATOM 0 HE1 TYR A 27 -5.079 -13.473 -23.907 1.00 43.45 H new ATOM 0 HE2 TYR A 27 -6.930 -16.348 -26.453 1.00 71.45 H new ATOM 0 HH TYR A 27 -4.933 -16.639 -25.554 1.00 34.33 H new ATOM 454 N TYR A 28 -8.578 -10.966 -28.337 1.00 73.22 N ATOM 455 CA TYR A 28 -7.790 -10.952 -29.564 1.00 13.51 C ATOM 456 C TYR A 28 -7.204 -9.566 -29.818 1.00 60.22 C ATOM 457 O TYR A 28 -6.017 -9.428 -30.111 1.00 4.33 O ATOM 458 CB TYR A 28 -8.652 -11.379 -30.753 1.00 64.33 C ATOM 459 CG TYR A 28 -7.929 -11.311 -32.080 1.00 11.12 C ATOM 460 CD1 TYR A 28 -8.409 -10.516 -33.114 1.00 64.40 C ATOM 461 CD2 TYR A 28 -6.768 -12.041 -32.299 1.00 63.23 C ATOM 462 CE1 TYR A 28 -7.752 -10.451 -34.328 1.00 34.30 C ATOM 463 CE2 TYR A 28 -6.104 -11.981 -33.509 1.00 71.04 C ATOM 464 CZ TYR A 28 -6.600 -11.185 -34.521 1.00 14.15 C ATOM 465 OH TYR A 28 -5.943 -11.123 -35.728 1.00 20.41 O ATOM 0 H TYR A 28 -9.587 -10.972 -28.484 1.00 73.22 H new ATOM 0 HA TYR A 28 -6.968 -11.659 -29.447 1.00 13.51 H new ATOM 0 HB2 TYR A 28 -9.001 -12.399 -30.591 1.00 64.33 H new ATOM 0 HB3 TYR A 28 -9.536 -10.743 -30.797 1.00 64.33 H new ATOM 0 HD1 TYR A 28 -9.310 -9.940 -32.966 1.00 64.40 H new ATOM 0 HD2 TYR A 28 -6.378 -12.666 -31.510 1.00 63.23 H new ATOM 0 HE1 TYR A 28 -8.138 -9.829 -35.122 1.00 34.30 H new ATOM 0 HE2 TYR A 28 -5.201 -12.554 -33.662 1.00 71.04 H new ATOM 0 HH TYR A 28 -5.150 -11.698 -35.699 1.00 20.41 H new ATOM 475 N GLN A 29 -8.046 -8.544 -29.704 1.00 31.33 N ATOM 476 CA GLN A 29 -7.612 -7.169 -29.921 1.00 71.41 C ATOM 477 C GLN A 29 -6.500 -6.789 -28.949 1.00 61.42 C ATOM 478 O GLN A 29 -5.599 -6.022 -29.290 1.00 2.33 O ATOM 479 CB GLN A 29 -8.792 -6.209 -29.765 1.00 14.02 C ATOM 480 CG GLN A 29 -9.190 -5.964 -28.318 1.00 71.41 C ATOM 481 CD GLN A 29 -10.320 -4.962 -28.185 1.00 4.01 C ATOM 482 OE1 GLN A 29 -10.922 -4.552 -29.178 1.00 5.02 O ATOM 483 NE2 GLN A 29 -10.614 -4.561 -26.954 1.00 22.45 N ATOM 0 H GLN A 29 -9.032 -8.642 -29.463 1.00 31.33 H new ATOM 0 HA GLN A 29 -7.223 -7.094 -30.936 1.00 71.41 H new ATOM 0 HB2 GLN A 29 -8.538 -5.256 -30.230 1.00 14.02 H new ATOM 0 HB3 GLN A 29 -9.649 -6.609 -30.306 1.00 14.02 H new ATOM 0 HG2 GLN A 29 -9.491 -6.908 -27.863 1.00 71.41 H new ATOM 0 HG3 GLN A 29 -8.324 -5.605 -27.763 1.00 71.41 H new ATOM 0 HE21 GLN A 29 -10.089 -4.927 -26.159 1.00 22.45 H new ATOM 0 HE22 GLN A 29 -11.365 -3.887 -26.803 1.00 22.45 H new ATOM 492 N LEU A 30 -6.569 -7.331 -27.738 1.00 41.02 N ATOM 493 CA LEU A 30 -5.567 -7.049 -26.716 1.00 15.44 C ATOM 494 C LEU A 30 -4.252 -7.753 -27.033 1.00 10.34 C ATOM 495 O LEU A 30 -3.175 -7.178 -26.875 1.00 54.24 O ATOM 496 CB LEU A 30 -6.076 -7.487 -25.341 1.00 63.42 C ATOM 497 CG LEU A 30 -6.403 -6.364 -24.357 1.00 22.25 C ATOM 498 CD1 LEU A 30 -7.317 -5.336 -25.004 1.00 51.02 C ATOM 499 CD2 LEU A 30 -7.041 -6.929 -23.096 1.00 20.21 C ATOM 0 H LEU A 30 -7.308 -7.968 -27.440 1.00 41.02 H new ATOM 0 HA LEU A 30 -5.387 -5.974 -26.705 1.00 15.44 H new ATOM 0 HB2 LEU A 30 -6.972 -8.091 -25.483 1.00 63.42 H new ATOM 0 HB3 LEU A 30 -5.325 -8.133 -24.887 1.00 63.42 H new ATOM 0 HG LEU A 30 -5.473 -5.868 -24.079 1.00 22.25 H new ATOM 0 HD11 LEU A 30 -7.539 -4.544 -24.288 1.00 51.02 H new ATOM 0 HD12 LEU A 30 -6.823 -4.908 -25.877 1.00 51.02 H new ATOM 0 HD13 LEU A 30 -8.245 -5.817 -25.312 1.00 51.02 H new ATOM 0 HD21 LEU A 30 -7.267 -6.115 -22.407 1.00 20.21 H new ATOM 0 HD22 LEU A 30 -7.962 -7.450 -23.356 1.00 20.21 H new ATOM 0 HD23 LEU A 30 -6.351 -7.626 -22.620 1.00 20.21 H new ATOM 511 N ALA A 31 -4.348 -9.000 -27.482 1.00 4.14 N ATOM 512 CA ALA A 31 -3.166 -9.781 -27.825 1.00 43.20 C ATOM 513 C ALA A 31 -2.334 -9.077 -28.892 1.00 61.52 C ATOM 514 O ALA A 31 -1.104 -9.093 -28.846 1.00 3.02 O ATOM 515 CB ALA A 31 -3.570 -11.169 -28.298 1.00 63.31 C ATOM 0 H ALA A 31 -5.232 -9.491 -27.617 1.00 4.14 H new ATOM 0 HA ALA A 31 -2.553 -9.879 -26.929 1.00 43.20 H new ATOM 0 HB1 ALA A 31 -2.677 -11.741 -28.551 1.00 63.31 H new ATOM 0 HB2 ALA A 31 -4.116 -11.679 -27.504 1.00 63.31 H new ATOM 0 HB3 ALA A 31 -4.207 -11.082 -29.178 1.00 63.31 H new ATOM 521 N LYS A 32 -3.013 -8.461 -29.854 1.00 22.40 N ATOM 522 CA LYS A 32 -2.337 -7.751 -30.934 1.00 33.35 C ATOM 523 C LYS A 32 -1.515 -6.588 -30.389 1.00 23.14 C ATOM 524 O LYS A 32 -0.563 -6.135 -31.025 1.00 54.42 O ATOM 525 CB LYS A 32 -3.359 -7.236 -31.950 1.00 4.52 C ATOM 526 CG LYS A 32 -3.967 -8.330 -32.810 1.00 44.21 C ATOM 527 CD LYS A 32 -5.411 -8.021 -33.167 1.00 43.55 C ATOM 528 CE LYS A 32 -5.524 -6.726 -33.958 1.00 73.10 C ATOM 529 NZ LYS A 32 -4.706 -6.762 -35.202 1.00 32.22 N ATOM 0 H LYS A 32 -4.031 -8.439 -29.908 1.00 22.40 H new ATOM 0 HA LYS A 32 -1.662 -8.449 -31.429 1.00 33.35 H new ATOM 0 HB2 LYS A 32 -4.157 -6.718 -31.419 1.00 4.52 H new ATOM 0 HB3 LYS A 32 -2.878 -6.502 -32.597 1.00 4.52 H new ATOM 0 HG2 LYS A 32 -3.382 -8.444 -33.723 1.00 44.21 H new ATOM 0 HG3 LYS A 32 -3.918 -9.281 -32.279 1.00 44.21 H new ATOM 0 HD2 LYS A 32 -5.827 -8.843 -33.750 1.00 43.55 H new ATOM 0 HD3 LYS A 32 -6.004 -7.945 -32.256 1.00 43.55 H new ATOM 0 HE2 LYS A 32 -6.568 -6.548 -34.215 1.00 73.10 H new ATOM 0 HE3 LYS A 32 -5.202 -5.891 -33.336 1.00 73.10 H new ATOM 0 HZ1 LYS A 32 -4.951 -5.948 -35.802 1.00 32.22 H new ATOM 0 HZ2 LYS A 32 -3.697 -6.719 -34.955 1.00 32.22 H new ATOM 0 HZ3 LYS A 32 -4.899 -7.644 -35.719 1.00 32.22 H new ATOM 543 N LYS A 33 -1.886 -6.110 -29.206 1.00 11.31 N ATOM 544 CA LYS A 33 -1.182 -5.001 -28.573 1.00 25.11 C ATOM 545 C LYS A 33 0.121 -5.476 -27.938 1.00 25.11 C ATOM 546 O LYS A 33 1.126 -4.765 -27.954 1.00 3.24 O ATOM 547 CB LYS A 33 -2.069 -4.345 -27.512 1.00 64.14 C ATOM 548 CG LYS A 33 -3.499 -4.120 -27.970 1.00 73.54 C ATOM 549 CD LYS A 33 -4.186 -3.043 -27.147 1.00 64.15 C ATOM 550 CE LYS A 33 -3.753 -1.651 -27.581 1.00 0.34 C ATOM 551 NZ LYS A 33 -4.222 -1.327 -28.956 1.00 52.13 N ATOM 0 H LYS A 33 -2.671 -6.474 -28.666 1.00 11.31 H new ATOM 0 HA LYS A 33 -0.945 -4.267 -29.343 1.00 25.11 H new ATOM 0 HB2 LYS A 33 -2.076 -4.970 -26.619 1.00 64.14 H new ATOM 0 HB3 LYS A 33 -1.633 -3.388 -27.227 1.00 64.14 H new ATOM 0 HG2 LYS A 33 -3.504 -3.834 -29.022 1.00 73.54 H new ATOM 0 HG3 LYS A 33 -4.058 -5.052 -27.890 1.00 73.54 H new ATOM 0 HD2 LYS A 33 -5.267 -3.138 -27.251 1.00 64.15 H new ATOM 0 HD3 LYS A 33 -3.953 -3.186 -26.092 1.00 64.15 H new ATOM 0 HE2 LYS A 33 -4.146 -0.914 -26.881 1.00 0.34 H new ATOM 0 HE3 LYS A 33 -2.666 -1.580 -27.542 1.00 0.34 H new ATOM 0 HZ1 LYS A 33 -4.231 -0.295 -29.086 1.00 52.13 H new ATOM 0 HZ2 LYS A 33 -3.580 -1.758 -29.652 1.00 52.13 H new ATOM 0 HZ3 LYS A 33 -5.183 -1.702 -29.092 1.00 52.13 H new ATOM 565 N TYR A 34 0.098 -6.682 -27.382 1.00 33.15 N ATOM 566 CA TYR A 34 1.277 -7.251 -26.741 1.00 21.45 C ATOM 567 C TYR A 34 1.918 -8.316 -27.626 1.00 1.31 C ATOM 568 O TYR A 34 2.646 -9.185 -27.145 1.00 11.34 O ATOM 569 CB TYR A 34 0.905 -7.856 -25.385 1.00 42.44 C ATOM 570 CG TYR A 34 0.273 -6.865 -24.434 1.00 34.40 C ATOM 571 CD1 TYR A 34 1.053 -6.100 -23.576 1.00 64.51 C ATOM 572 CD2 TYR A 34 -1.106 -6.695 -24.392 1.00 63.20 C ATOM 573 CE1 TYR A 34 0.480 -5.195 -22.705 1.00 11.15 C ATOM 574 CE2 TYR A 34 -1.688 -5.791 -23.525 1.00 23.11 C ATOM 575 CZ TYR A 34 -0.891 -5.043 -22.683 1.00 61.50 C ATOM 576 OH TYR A 34 -1.467 -4.143 -21.817 1.00 1.23 O ATOM 0 H TYR A 34 -0.725 -7.285 -27.362 1.00 33.15 H new ATOM 0 HA TYR A 34 1.998 -6.448 -26.588 1.00 21.45 H new ATOM 0 HB2 TYR A 34 0.216 -8.686 -25.543 1.00 42.44 H new ATOM 0 HB3 TYR A 34 1.801 -8.270 -24.923 1.00 42.44 H new ATOM 0 HD1 TYR A 34 2.127 -6.215 -23.591 1.00 64.51 H new ATOM 0 HD2 TYR A 34 -1.733 -7.280 -25.049 1.00 63.20 H new ATOM 0 HE1 TYR A 34 1.102 -4.609 -22.044 1.00 11.15 H new ATOM 0 HE2 TYR A 34 -2.761 -5.670 -23.506 1.00 23.11 H new ATOM 0 HH TYR A 34 -2.440 -4.158 -21.929 1.00 1.23 H new ATOM 586 N HIS A 35 1.642 -8.241 -28.924 1.00 45.42 N ATOM 587 CA HIS A 35 2.193 -9.196 -29.879 1.00 74.20 C ATOM 588 C HIS A 35 3.716 -9.115 -29.913 1.00 33.24 C ATOM 589 O HIS A 35 4.319 -8.128 -29.490 1.00 75.23 O ATOM 590 CB HIS A 35 1.626 -8.938 -31.275 1.00 54.03 C ATOM 591 CG HIS A 35 0.614 -9.954 -31.708 1.00 51.13 C ATOM 592 ND1 HIS A 35 -0.152 -10.804 -30.986 1.00 45.03 N flip ATOM 593 CD2 HIS A 35 0.296 -10.184 -33.030 1.00 32.25 C flip ATOM 594 CE1 HIS A 35 -0.912 -11.524 -31.875 1.00 13.50 C flip ATOM 595 NE2 HIS A 35 -0.622 -11.131 -33.102 1.00 25.22 N flip ATOM 0 H HIS A 35 1.040 -7.529 -29.339 1.00 45.42 H new ATOM 0 HA HIS A 35 1.908 -10.198 -29.558 1.00 74.20 H new ATOM 0 HB2 HIS A 35 1.167 -7.949 -31.295 1.00 54.03 H new ATOM 0 HB3 HIS A 35 2.445 -8.924 -31.994 1.00 54.03 H new ATOM 0 HD1 HIS A 35 -0.163 -10.893 -29.970 1.00 45.03 H new ATOM 0 HD2 HIS A 35 0.730 -9.670 -33.875 1.00 32.25 H new ATOM 0 HE1 HIS A 35 -1.630 -12.287 -31.613 1.00 13.50 H new ATOM 603 N PRO A 36 4.354 -10.177 -30.426 1.00 23.34 N ATOM 604 CA PRO A 36 5.815 -10.250 -30.526 1.00 71.31 C ATOM 605 C PRO A 36 6.373 -9.288 -31.569 1.00 1.32 C ATOM 606 O PRO A 36 7.583 -9.070 -31.642 1.00 74.33 O ATOM 607 CB PRO A 36 6.070 -11.700 -30.946 1.00 74.01 C ATOM 608 CG PRO A 36 4.818 -12.120 -31.637 1.00 2.30 C ATOM 609 CD PRO A 36 3.700 -11.389 -30.948 1.00 15.53 C ATOM 0 HA PRO A 36 6.302 -9.970 -29.592 1.00 71.31 H new ATOM 0 HB2 PRO A 36 6.932 -11.774 -31.609 1.00 74.01 H new ATOM 0 HB3 PRO A 36 6.277 -12.332 -30.082 1.00 74.01 H new ATOM 0 HG2 PRO A 36 4.854 -11.868 -32.697 1.00 2.30 H new ATOM 0 HG3 PRO A 36 4.678 -13.199 -31.570 1.00 2.30 H new ATOM 0 HD2 PRO A 36 2.894 -11.144 -31.640 1.00 15.53 H new ATOM 0 HD3 PRO A 36 3.263 -11.986 -30.148 1.00 15.53 H new ATOM 617 N ASP A 37 5.485 -8.714 -32.373 1.00 12.23 N ATOM 618 CA ASP A 37 5.889 -7.773 -33.411 1.00 10.32 C ATOM 619 C ASP A 37 6.180 -6.399 -32.815 1.00 40.33 C ATOM 620 O ASP A 37 6.877 -5.583 -33.419 1.00 44.21 O ATOM 621 CB ASP A 37 4.800 -7.659 -34.478 1.00 74.24 C ATOM 622 CG ASP A 37 4.990 -6.451 -35.374 1.00 65.12 C ATOM 623 OD1 ASP A 37 4.551 -5.348 -34.986 1.00 34.52 O ATOM 624 OD2 ASP A 37 5.580 -6.608 -36.463 1.00 65.04 O ATOM 0 H ASP A 37 4.480 -8.884 -32.326 1.00 12.23 H new ATOM 0 HA ASP A 37 6.801 -8.150 -33.873 1.00 10.32 H new ATOM 0 HB2 ASP A 37 4.797 -8.563 -35.088 1.00 74.24 H new ATOM 0 HB3 ASP A 37 3.826 -7.598 -33.993 1.00 74.24 H new ATOM 629 N THR A 38 5.640 -6.148 -31.627 1.00 1.05 N ATOM 630 CA THR A 38 5.840 -4.873 -30.950 1.00 55.52 C ATOM 631 C THR A 38 6.727 -5.035 -29.722 1.00 2.35 C ATOM 632 O THR A 38 6.862 -4.115 -28.916 1.00 42.31 O ATOM 633 CB THR A 38 4.498 -4.248 -30.522 1.00 22.14 C ATOM 634 OG1 THR A 38 3.979 -4.939 -29.380 1.00 11.22 O ATOM 635 CG2 THR A 38 3.488 -4.304 -31.657 1.00 72.24 C ATOM 0 H THR A 38 5.060 -6.812 -31.113 1.00 1.05 H new ATOM 0 HA THR A 38 6.330 -4.210 -31.663 1.00 55.52 H new ATOM 0 HB THR A 38 4.674 -3.203 -30.266 1.00 22.14 H new ATOM 0 HG1 THR A 38 4.133 -5.901 -29.482 1.00 11.22 H new ATOM 0 HG21 THR A 38 2.549 -3.857 -31.331 1.00 72.24 H new ATOM 0 HG22 THR A 38 3.874 -3.753 -32.515 1.00 72.24 H new ATOM 0 HG23 THR A 38 3.316 -5.342 -31.940 1.00 72.24 H new ATOM 643 N ASN A 39 7.331 -6.211 -29.585 1.00 2.34 N ATOM 644 CA ASN A 39 8.207 -6.493 -28.453 1.00 51.11 C ATOM 645 C ASN A 39 9.653 -6.137 -28.782 1.00 43.44 C ATOM 646 O ASN A 39 10.576 -6.504 -28.055 1.00 63.12 O ATOM 647 CB ASN A 39 8.110 -7.969 -28.062 1.00 71.02 C ATOM 648 CG ASN A 39 7.018 -8.226 -27.042 1.00 20.33 C ATOM 649 OD1 ASN A 39 7.223 -8.948 -26.065 1.00 51.24 O ATOM 650 ND2 ASN A 39 5.850 -7.636 -27.264 1.00 14.41 N ATOM 0 H ASN A 39 7.230 -6.984 -30.243 1.00 2.34 H new ATOM 0 HA ASN A 39 7.883 -5.879 -27.613 1.00 51.11 H new ATOM 0 HB2 ASN A 39 7.919 -8.566 -28.953 1.00 71.02 H new ATOM 0 HB3 ASN A 39 9.067 -8.298 -27.657 1.00 71.02 H new ATOM 0 HD21 ASN A 39 5.078 -7.772 -26.612 1.00 14.41 H new ATOM 0 HD22 ASN A 39 5.725 -7.046 -28.087 1.00 14.41 H new ATOM 657 N LYS A 40 9.844 -5.418 -29.884 1.00 13.34 N ATOM 658 CA LYS A 40 11.177 -5.009 -30.310 1.00 53.20 C ATOM 659 C LYS A 40 11.792 -4.034 -29.311 1.00 42.25 C ATOM 660 O LYS A 40 12.982 -4.114 -29.004 1.00 34.02 O ATOM 661 CB LYS A 40 11.116 -4.364 -31.697 1.00 34.52 C ATOM 662 CG LYS A 40 11.215 -5.364 -32.837 1.00 14.54 C ATOM 663 CD LYS A 40 9.860 -5.965 -33.170 1.00 32.21 C ATOM 664 CE LYS A 40 9.907 -7.485 -33.159 1.00 62.52 C ATOM 665 NZ LYS A 40 10.886 -8.017 -34.148 1.00 52.20 N ATOM 0 H LYS A 40 9.091 -5.107 -30.498 1.00 13.34 H new ATOM 0 HA LYS A 40 11.805 -5.898 -30.357 1.00 53.20 H new ATOM 0 HB2 LYS A 40 10.182 -3.810 -31.790 1.00 34.52 H new ATOM 0 HB3 LYS A 40 11.926 -3.640 -31.788 1.00 34.52 H new ATOM 0 HG2 LYS A 40 11.623 -4.872 -33.720 1.00 14.54 H new ATOM 0 HG3 LYS A 40 11.910 -6.159 -32.566 1.00 14.54 H new ATOM 0 HD2 LYS A 40 9.120 -5.618 -32.449 1.00 32.21 H new ATOM 0 HD3 LYS A 40 9.538 -5.617 -34.151 1.00 32.21 H new ATOM 0 HE2 LYS A 40 10.174 -7.833 -32.161 1.00 62.52 H new ATOM 0 HE3 LYS A 40 8.916 -7.881 -33.380 1.00 62.52 H new ATOM 0 HZ1 LYS A 40 10.641 -9.000 -34.385 1.00 52.20 H new ATOM 0 HZ2 LYS A 40 10.859 -7.436 -35.010 1.00 52.20 H new ATOM 0 HZ3 LYS A 40 11.842 -7.987 -33.740 1.00 52.20 H new ATOM 679 N ASP A 41 10.975 -3.115 -28.808 1.00 62.31 N ATOM 680 CA ASP A 41 11.439 -2.126 -27.842 1.00 20.30 C ATOM 681 C ASP A 41 10.690 -2.265 -26.520 1.00 53.44 C ATOM 682 O ASP A 41 10.725 -1.367 -25.678 1.00 63.14 O ATOM 683 CB ASP A 41 11.258 -0.714 -28.400 1.00 5.55 C ATOM 684 CG ASP A 41 12.260 -0.389 -29.490 1.00 64.00 C ATOM 685 OD1 ASP A 41 12.046 -0.824 -30.641 1.00 22.25 O ATOM 686 OD2 ASP A 41 13.259 0.299 -29.193 1.00 4.43 O ATOM 0 H ASP A 41 9.988 -3.034 -29.053 1.00 62.31 H new ATOM 0 HA ASP A 41 12.499 -2.302 -27.658 1.00 20.30 H new ATOM 0 HB2 ASP A 41 10.248 -0.610 -28.796 1.00 5.55 H new ATOM 0 HB3 ASP A 41 11.359 0.009 -27.591 1.00 5.55 H new ATOM 691 N ASP A 42 10.012 -3.393 -26.346 1.00 75.52 N ATOM 692 CA ASP A 42 9.253 -3.650 -25.127 1.00 43.51 C ATOM 693 C ASP A 42 9.377 -5.111 -24.707 1.00 4.32 C ATOM 694 O ASP A 42 8.502 -5.935 -24.972 1.00 11.25 O ATOM 695 CB ASP A 42 7.781 -3.288 -25.331 1.00 42.03 C ATOM 696 CG ASP A 42 7.130 -2.775 -24.062 1.00 74.21 C ATOM 697 OD1 ASP A 42 6.978 -3.569 -23.111 1.00 24.54 O ATOM 698 OD2 ASP A 42 6.770 -1.580 -24.020 1.00 41.35 O ATOM 0 H ASP A 42 9.972 -4.145 -27.034 1.00 75.52 H new ATOM 0 HA ASP A 42 9.666 -3.027 -24.334 1.00 43.51 H new ATOM 0 HB2 ASP A 42 7.701 -2.529 -26.109 1.00 42.03 H new ATOM 0 HB3 ASP A 42 7.240 -4.166 -25.685 1.00 42.03 H new ATOM 703 N PRO A 43 10.491 -5.441 -24.037 1.00 23.43 N ATOM 704 CA PRO A 43 10.757 -6.804 -23.566 1.00 72.11 C ATOM 705 C PRO A 43 9.831 -7.214 -22.426 1.00 25.14 C ATOM 706 O PRO A 43 9.822 -8.371 -22.005 1.00 73.43 O ATOM 707 CB PRO A 43 12.207 -6.735 -23.080 1.00 33.31 C ATOM 708 CG PRO A 43 12.420 -5.304 -22.727 1.00 3.21 C ATOM 709 CD PRO A 43 11.577 -4.510 -23.686 1.00 61.44 C ATOM 0 HA PRO A 43 10.590 -7.545 -24.348 1.00 72.11 H new ATOM 0 HB2 PRO A 43 12.367 -7.383 -22.219 1.00 33.31 H new ATOM 0 HB3 PRO A 43 12.901 -7.059 -23.856 1.00 33.31 H new ATOM 0 HG2 PRO A 43 12.126 -5.109 -21.696 1.00 3.21 H new ATOM 0 HG3 PRO A 43 13.472 -5.033 -22.816 1.00 3.21 H new ATOM 0 HD2 PRO A 43 11.193 -3.600 -23.225 1.00 61.44 H new ATOM 0 HD3 PRO A 43 12.146 -4.206 -24.565 1.00 61.44 H new ATOM 717 N LYS A 44 9.054 -6.258 -21.928 1.00 72.51 N ATOM 718 CA LYS A 44 8.123 -6.520 -20.837 1.00 13.31 C ATOM 719 C LYS A 44 6.731 -6.838 -21.374 1.00 12.22 C ATOM 720 O LYS A 44 5.907 -7.430 -20.677 1.00 62.23 O ATOM 721 CB LYS A 44 8.055 -5.314 -19.897 1.00 41.21 C ATOM 722 CG LYS A 44 9.244 -5.207 -18.958 1.00 61.20 C ATOM 723 CD LYS A 44 9.260 -3.875 -18.228 1.00 1.24 C ATOM 724 CE LYS A 44 10.455 -3.766 -17.293 1.00 42.22 C ATOM 725 NZ LYS A 44 11.742 -3.717 -18.042 1.00 32.05 N ATOM 0 H LYS A 44 9.051 -5.295 -22.263 1.00 72.51 H new ATOM 0 HA LYS A 44 8.486 -7.386 -20.283 1.00 13.31 H new ATOM 0 HB2 LYS A 44 7.990 -4.403 -20.492 1.00 41.21 H new ATOM 0 HB3 LYS A 44 7.141 -5.375 -19.307 1.00 41.21 H new ATOM 0 HG2 LYS A 44 9.210 -6.020 -18.233 1.00 61.20 H new ATOM 0 HG3 LYS A 44 10.168 -5.323 -19.525 1.00 61.20 H new ATOM 0 HD2 LYS A 44 9.289 -3.062 -18.953 1.00 1.24 H new ATOM 0 HD3 LYS A 44 8.338 -3.761 -17.657 1.00 1.24 H new ATOM 0 HE2 LYS A 44 10.357 -2.870 -16.681 1.00 42.22 H new ATOM 0 HE3 LYS A 44 10.463 -4.618 -16.613 1.00 42.22 H new ATOM 0 HZ1 LYS A 44 12.512 -3.457 -17.393 1.00 32.05 H new ATOM 0 HZ2 LYS A 44 11.938 -4.651 -18.456 1.00 32.05 H new ATOM 0 HZ3 LYS A 44 11.675 -3.009 -18.801 1.00 32.05 H new ATOM 739 N ALA A 45 6.476 -6.442 -22.616 1.00 40.54 N ATOM 740 CA ALA A 45 5.185 -6.688 -23.247 1.00 43.23 C ATOM 741 C ALA A 45 4.848 -8.175 -23.245 1.00 11.11 C ATOM 742 O ALA A 45 3.697 -8.561 -23.037 1.00 65.11 O ATOM 743 CB ALA A 45 5.181 -6.146 -24.669 1.00 53.20 C ATOM 0 H ALA A 45 7.147 -5.949 -23.206 1.00 40.54 H new ATOM 0 HA ALA A 45 4.421 -6.168 -22.669 1.00 43.23 H new ATOM 0 HB1 ALA A 45 4.211 -6.337 -25.128 1.00 53.20 H new ATOM 0 HB2 ALA A 45 5.369 -5.072 -24.650 1.00 53.20 H new ATOM 0 HB3 ALA A 45 5.960 -6.640 -25.249 1.00 53.20 H new ATOM 749 N LYS A 46 5.858 -9.006 -23.478 1.00 71.30 N ATOM 750 CA LYS A 46 5.669 -10.452 -23.502 1.00 45.14 C ATOM 751 C LYS A 46 5.076 -10.946 -22.187 1.00 3.43 C ATOM 752 O LYS A 46 4.190 -11.799 -22.177 1.00 61.22 O ATOM 753 CB LYS A 46 7.002 -11.156 -23.770 1.00 33.15 C ATOM 754 CG LYS A 46 8.083 -10.817 -22.758 1.00 15.03 C ATOM 755 CD LYS A 46 9.460 -11.217 -23.258 1.00 63.22 C ATOM 756 CE LYS A 46 9.946 -10.286 -24.358 1.00 50.21 C ATOM 757 NZ LYS A 46 10.809 -10.994 -25.344 1.00 33.11 N ATOM 0 H LYS A 46 6.816 -8.703 -23.653 1.00 71.30 H new ATOM 0 HA LYS A 46 4.971 -10.689 -24.305 1.00 45.14 H new ATOM 0 HB2 LYS A 46 6.841 -12.234 -23.769 1.00 33.15 H new ATOM 0 HB3 LYS A 46 7.352 -10.887 -24.767 1.00 33.15 H new ATOM 0 HG2 LYS A 46 8.067 -9.747 -22.552 1.00 15.03 H new ATOM 0 HG3 LYS A 46 7.874 -11.326 -21.817 1.00 15.03 H new ATOM 0 HD2 LYS A 46 10.168 -11.203 -22.429 1.00 63.22 H new ATOM 0 HD3 LYS A 46 9.429 -12.240 -23.633 1.00 63.22 H new ATOM 0 HE2 LYS A 46 9.088 -9.852 -24.872 1.00 50.21 H new ATOM 0 HE3 LYS A 46 10.503 -9.460 -23.915 1.00 50.21 H new ATOM 0 HZ1 LYS A 46 11.119 -10.325 -26.077 1.00 33.11 H new ATOM 0 HZ2 LYS A 46 11.641 -11.386 -24.859 1.00 33.11 H new ATOM 0 HZ3 LYS A 46 10.270 -11.766 -25.786 1.00 33.11 H new ATOM 771 N GLU A 47 5.570 -10.402 -21.079 1.00 4.31 N ATOM 772 CA GLU A 47 5.088 -10.788 -19.758 1.00 54.42 C ATOM 773 C GLU A 47 3.625 -10.391 -19.576 1.00 62.34 C ATOM 774 O GLU A 47 2.842 -11.123 -18.970 1.00 42.10 O ATOM 775 CB GLU A 47 5.943 -10.138 -18.668 1.00 73.12 C ATOM 776 CG GLU A 47 5.608 -10.617 -17.266 1.00 20.33 C ATOM 777 CD GLU A 47 6.737 -10.378 -16.282 1.00 42.43 C ATOM 778 OE1 GLU A 47 6.510 -9.667 -15.281 1.00 32.13 O ATOM 779 OE2 GLU A 47 7.847 -10.900 -16.514 1.00 44.21 O ATOM 0 H GLU A 47 6.303 -9.693 -21.070 1.00 4.31 H new ATOM 0 HA GLU A 47 5.167 -11.872 -19.673 1.00 54.42 H new ATOM 0 HB2 GLU A 47 6.994 -10.343 -18.872 1.00 73.12 H new ATOM 0 HB3 GLU A 47 5.815 -9.057 -18.714 1.00 73.12 H new ATOM 0 HG2 GLU A 47 4.712 -10.105 -16.916 1.00 20.33 H new ATOM 0 HG3 GLU A 47 5.376 -11.682 -17.296 1.00 20.33 H new ATOM 786 N LYS A 48 3.264 -9.227 -20.106 1.00 34.44 N ATOM 787 CA LYS A 48 1.896 -8.732 -20.004 1.00 1.13 C ATOM 788 C LYS A 48 0.955 -9.547 -20.885 1.00 31.35 C ATOM 789 O LYS A 48 -0.206 -9.762 -20.537 1.00 34.23 O ATOM 790 CB LYS A 48 1.836 -7.256 -20.404 1.00 15.03 C ATOM 791 CG LYS A 48 2.739 -6.363 -19.571 1.00 51.43 C ATOM 792 CD LYS A 48 2.429 -6.483 -18.089 1.00 3.04 C ATOM 793 CE LYS A 48 3.213 -5.468 -17.271 1.00 41.42 C ATOM 794 NZ LYS A 48 3.064 -5.699 -15.808 1.00 32.42 N ATOM 0 H LYS A 48 3.900 -8.609 -20.610 1.00 34.44 H new ATOM 0 HA LYS A 48 1.575 -8.835 -18.968 1.00 1.13 H new ATOM 0 HB2 LYS A 48 2.114 -7.161 -21.454 1.00 15.03 H new ATOM 0 HB3 LYS A 48 0.808 -6.905 -20.313 1.00 15.03 H new ATOM 0 HG2 LYS A 48 3.781 -6.631 -19.748 1.00 51.43 H new ATOM 0 HG3 LYS A 48 2.618 -5.327 -19.886 1.00 51.43 H new ATOM 0 HD2 LYS A 48 1.361 -6.336 -17.927 1.00 3.04 H new ATOM 0 HD3 LYS A 48 2.668 -7.490 -17.747 1.00 3.04 H new ATOM 0 HE2 LYS A 48 4.268 -5.521 -17.541 1.00 41.42 H new ATOM 0 HE3 LYS A 48 2.871 -4.462 -17.516 1.00 41.42 H new ATOM 0 HZ1 LYS A 48 3.613 -4.987 -15.286 1.00 32.42 H new ATOM 0 HZ2 LYS A 48 2.061 -5.623 -15.545 1.00 32.42 H new ATOM 0 HZ3 LYS A 48 3.414 -6.649 -15.569 1.00 32.42 H new ATOM 808 N PHE A 49 1.464 -10.000 -22.026 1.00 35.14 N ATOM 809 CA PHE A 49 0.668 -10.793 -22.956 1.00 40.40 C ATOM 810 C PHE A 49 0.156 -12.065 -22.287 1.00 63.01 C ATOM 811 O PHE A 49 -0.941 -12.537 -22.584 1.00 60.21 O ATOM 812 CB PHE A 49 1.496 -11.150 -24.192 1.00 21.31 C ATOM 813 CG PHE A 49 0.821 -12.136 -25.101 1.00 75.44 C ATOM 814 CD1 PHE A 49 0.018 -11.701 -26.143 1.00 52.23 C ATOM 815 CD2 PHE A 49 0.988 -13.499 -24.914 1.00 32.01 C ATOM 816 CE1 PHE A 49 -0.605 -12.606 -26.982 1.00 51.43 C ATOM 817 CE2 PHE A 49 0.368 -14.408 -25.750 1.00 31.41 C ATOM 818 CZ PHE A 49 -0.431 -13.961 -26.785 1.00 24.35 C ATOM 0 H PHE A 49 2.423 -9.832 -22.329 1.00 35.14 H new ATOM 0 HA PHE A 49 -0.190 -10.195 -23.262 1.00 40.40 H new ATOM 0 HB2 PHE A 49 1.710 -10.239 -24.752 1.00 21.31 H new ATOM 0 HB3 PHE A 49 2.454 -11.560 -23.872 1.00 21.31 H new ATOM 0 HD1 PHE A 49 -0.123 -10.642 -26.302 1.00 52.23 H new ATOM 0 HD2 PHE A 49 1.610 -13.855 -24.106 1.00 32.01 H new ATOM 0 HE1 PHE A 49 -1.227 -12.253 -27.791 1.00 51.43 H new ATOM 0 HE2 PHE A 49 0.508 -15.468 -25.594 1.00 31.41 H new ATOM 0 HZ PHE A 49 -0.918 -14.670 -27.438 1.00 24.35 H new ATOM 828 N SER A 50 0.960 -12.615 -21.383 1.00 22.42 N ATOM 829 CA SER A 50 0.592 -13.835 -20.674 1.00 72.53 C ATOM 830 C SER A 50 -0.639 -13.607 -19.803 1.00 12.25 C ATOM 831 O SER A 50 -1.460 -14.506 -19.622 1.00 51.23 O ATOM 832 CB SER A 50 1.758 -14.322 -19.812 1.00 2.40 C ATOM 833 OG SER A 50 1.676 -15.718 -19.582 1.00 53.45 O ATOM 0 H SER A 50 1.871 -12.235 -21.124 1.00 22.42 H new ATOM 0 HA SER A 50 0.355 -14.598 -21.415 1.00 72.53 H new ATOM 0 HB2 SER A 50 2.701 -14.087 -20.305 1.00 2.40 H new ATOM 0 HB3 SER A 50 1.755 -13.793 -18.859 1.00 2.40 H new ATOM 0 HG SER A 50 2.434 -16.004 -19.030 1.00 53.45 H new ATOM 839 N GLN A 51 -0.759 -12.397 -19.265 1.00 32.44 N ATOM 840 CA GLN A 51 -1.889 -12.050 -18.411 1.00 32.20 C ATOM 841 C GLN A 51 -3.199 -12.113 -19.190 1.00 32.55 C ATOM 842 O GLN A 51 -4.254 -12.411 -18.627 1.00 51.33 O ATOM 843 CB GLN A 51 -1.699 -10.652 -17.822 1.00 15.54 C ATOM 844 CG GLN A 51 -0.563 -10.564 -16.816 1.00 32.24 C ATOM 845 CD GLN A 51 -0.307 -9.146 -16.346 1.00 14.24 C ATOM 846 OE1 GLN A 51 0.828 -8.669 -16.364 1.00 14.31 O ATOM 847 NE2 GLN A 51 -1.364 -8.463 -15.921 1.00 52.22 N ATOM 0 H GLN A 51 -0.088 -11.641 -19.405 1.00 32.44 H new ATOM 0 HA GLN A 51 -1.935 -12.775 -17.599 1.00 32.20 H new ATOM 0 HB2 GLN A 51 -1.511 -9.948 -18.633 1.00 15.54 H new ATOM 0 HB3 GLN A 51 -2.626 -10.341 -17.339 1.00 15.54 H new ATOM 0 HG2 GLN A 51 -0.796 -11.191 -15.955 1.00 32.24 H new ATOM 0 HG3 GLN A 51 0.346 -10.963 -17.265 1.00 32.24 H new ATOM 0 HE21 GLN A 51 -2.287 -8.898 -15.923 1.00 52.22 H new ATOM 0 HE22 GLN A 51 -1.253 -7.504 -15.592 1.00 52.22 H new ATOM 856 N LEU A 52 -3.125 -11.832 -20.486 1.00 13.14 N ATOM 857 CA LEU A 52 -4.306 -11.856 -21.342 1.00 62.44 C ATOM 858 C LEU A 52 -4.897 -13.261 -21.415 1.00 42.31 C ATOM 859 O LEU A 52 -6.086 -13.458 -21.167 1.00 41.01 O ATOM 860 CB LEU A 52 -3.951 -11.367 -22.747 1.00 42.24 C ATOM 861 CG LEU A 52 -3.185 -10.045 -22.824 1.00 73.32 C ATOM 862 CD1 LEU A 52 -2.576 -9.861 -24.205 1.00 62.03 C ATOM 863 CD2 LEU A 52 -4.100 -8.878 -22.483 1.00 34.30 C ATOM 0 H LEU A 52 -2.260 -11.585 -20.967 1.00 13.14 H new ATOM 0 HA LEU A 52 -5.052 -11.190 -20.909 1.00 62.44 H new ATOM 0 HB2 LEU A 52 -3.357 -12.137 -23.239 1.00 42.24 H new ATOM 0 HB3 LEU A 52 -4.874 -11.263 -23.318 1.00 42.24 H new ATOM 0 HG LEU A 52 -2.376 -10.072 -22.093 1.00 73.32 H new ATOM 0 HD11 LEU A 52 -2.035 -8.915 -24.241 1.00 62.03 H new ATOM 0 HD12 LEU A 52 -1.888 -10.681 -24.411 1.00 62.03 H new ATOM 0 HD13 LEU A 52 -3.368 -9.855 -24.954 1.00 62.03 H new ATOM 0 HD21 LEU A 52 -3.538 -7.946 -22.543 1.00 34.30 H new ATOM 0 HD22 LEU A 52 -4.930 -8.848 -23.189 1.00 34.30 H new ATOM 0 HD23 LEU A 52 -4.488 -9.003 -21.472 1.00 34.30 H new ATOM 875 N ALA A 53 -4.057 -14.234 -21.755 1.00 15.52 N ATOM 876 CA ALA A 53 -4.496 -15.620 -21.856 1.00 3.03 C ATOM 877 C ALA A 53 -4.923 -16.161 -20.496 1.00 20.14 C ATOM 878 O ALA A 53 -5.850 -16.964 -20.401 1.00 35.20 O ATOM 879 CB ALA A 53 -3.389 -16.482 -22.445 1.00 2.22 C ATOM 0 H ALA A 53 -3.070 -14.088 -21.965 1.00 15.52 H new ATOM 0 HA ALA A 53 -5.360 -15.654 -22.519 1.00 3.03 H new ATOM 0 HB1 ALA A 53 -3.730 -17.515 -22.515 1.00 2.22 H new ATOM 0 HB2 ALA A 53 -3.133 -16.116 -23.439 1.00 2.22 H new ATOM 0 HB3 ALA A 53 -2.509 -16.433 -21.803 1.00 2.22 H new ATOM 885 N GLU A 54 -4.240 -15.716 -19.446 1.00 22.15 N ATOM 886 CA GLU A 54 -4.549 -16.158 -18.091 1.00 31.12 C ATOM 887 C GLU A 54 -5.951 -15.716 -17.681 1.00 2.32 C ATOM 888 O GLU A 54 -6.751 -16.518 -17.202 1.00 73.41 O ATOM 889 CB GLU A 54 -3.519 -15.607 -17.103 1.00 1.40 C ATOM 890 CG GLU A 54 -2.215 -16.386 -17.085 1.00 21.53 C ATOM 891 CD GLU A 54 -2.333 -17.702 -16.340 1.00 64.45 C ATOM 892 OE1 GLU A 54 -3.471 -18.103 -16.019 1.00 63.54 O ATOM 893 OE2 GLU A 54 -1.286 -18.331 -16.080 1.00 24.35 O ATOM 0 H GLU A 54 -3.470 -15.050 -19.507 1.00 22.15 H new ATOM 0 HA GLU A 54 -4.511 -17.247 -18.074 1.00 31.12 H new ATOM 0 HB2 GLU A 54 -3.308 -14.567 -17.353 1.00 1.40 H new ATOM 0 HB3 GLU A 54 -3.950 -15.613 -16.102 1.00 1.40 H new ATOM 0 HG2 GLU A 54 -1.897 -16.580 -18.110 1.00 21.53 H new ATOM 0 HG3 GLU A 54 -1.439 -15.778 -16.620 1.00 21.53 H new ATOM 900 N ALA A 55 -6.239 -14.433 -17.872 1.00 14.52 N ATOM 901 CA ALA A 55 -7.544 -13.883 -17.524 1.00 3.23 C ATOM 902 C ALA A 55 -8.620 -14.369 -18.489 1.00 44.30 C ATOM 903 O ALA A 55 -9.743 -14.668 -18.083 1.00 25.24 O ATOM 904 CB ALA A 55 -7.490 -12.362 -17.512 1.00 63.34 C ATOM 0 H ALA A 55 -5.587 -13.755 -18.266 1.00 14.52 H new ATOM 0 HA ALA A 55 -7.804 -14.234 -16.525 1.00 3.23 H new ATOM 0 HB1 ALA A 55 -8.471 -11.965 -17.251 1.00 63.34 H new ATOM 0 HB2 ALA A 55 -6.757 -12.030 -16.777 1.00 63.34 H new ATOM 0 HB3 ALA A 55 -7.204 -12.000 -18.500 1.00 63.34 H new ATOM 910 N TYR A 56 -8.270 -14.444 -19.768 1.00 44.12 N ATOM 911 CA TYR A 56 -9.207 -14.890 -20.792 1.00 62.50 C ATOM 912 C TYR A 56 -9.558 -16.363 -20.604 1.00 65.34 C ATOM 913 O TYR A 56 -10.634 -16.811 -20.998 1.00 12.43 O ATOM 914 CB TYR A 56 -8.616 -14.669 -22.185 1.00 51.15 C ATOM 915 CG TYR A 56 -9.321 -15.448 -23.273 1.00 13.41 C ATOM 916 CD1 TYR A 56 -10.431 -14.921 -23.923 1.00 63.33 C ATOM 917 CD2 TYR A 56 -8.879 -16.710 -23.649 1.00 51.23 C ATOM 918 CE1 TYR A 56 -11.079 -15.629 -24.917 1.00 23.30 C ATOM 919 CE2 TYR A 56 -9.520 -17.424 -24.643 1.00 21.32 C ATOM 920 CZ TYR A 56 -10.619 -16.880 -25.273 1.00 53.05 C ATOM 921 OH TYR A 56 -11.261 -17.589 -26.263 1.00 32.24 O ATOM 0 H TYR A 56 -7.344 -14.202 -20.120 1.00 44.12 H new ATOM 0 HA TYR A 56 -10.120 -14.302 -20.695 1.00 62.50 H new ATOM 0 HB2 TYR A 56 -8.659 -13.606 -22.424 1.00 51.15 H new ATOM 0 HB3 TYR A 56 -7.563 -14.950 -22.173 1.00 51.15 H new ATOM 0 HD1 TYR A 56 -10.793 -13.942 -23.646 1.00 63.33 H new ATOM 0 HD2 TYR A 56 -8.020 -17.140 -23.156 1.00 51.23 H new ATOM 0 HE1 TYR A 56 -11.940 -15.206 -25.412 1.00 23.30 H new ATOM 0 HE2 TYR A 56 -9.162 -18.403 -24.925 1.00 21.32 H new ATOM 0 HH TYR A 56 -10.811 -18.450 -26.393 1.00 32.24 H new ATOM 931 N GLU A 57 -8.640 -17.111 -20.000 1.00 23.14 N ATOM 932 CA GLU A 57 -8.851 -18.534 -19.760 1.00 14.35 C ATOM 933 C GLU A 57 -10.099 -18.762 -18.911 1.00 24.55 C ATOM 934 O GLU A 57 -10.957 -19.576 -19.254 1.00 43.41 O ATOM 935 CB GLU A 57 -7.631 -19.144 -19.067 1.00 61.04 C ATOM 936 CG GLU A 57 -6.636 -19.772 -20.029 1.00 53.12 C ATOM 937 CD GLU A 57 -7.014 -21.188 -20.417 1.00 74.22 C ATOM 938 OE1 GLU A 57 -7.036 -22.061 -19.525 1.00 34.45 O ATOM 939 OE2 GLU A 57 -7.288 -21.424 -21.613 1.00 0.44 O ATOM 0 H GLU A 57 -7.743 -16.756 -19.668 1.00 23.14 H new ATOM 0 HA GLU A 57 -8.993 -19.022 -20.724 1.00 14.35 H new ATOM 0 HB2 GLU A 57 -7.126 -18.369 -18.490 1.00 61.04 H new ATOM 0 HB3 GLU A 57 -7.967 -19.901 -18.359 1.00 61.04 H new ATOM 0 HG2 GLU A 57 -6.569 -19.159 -20.928 1.00 53.12 H new ATOM 0 HG3 GLU A 57 -5.647 -19.776 -19.571 1.00 53.12 H new ATOM 946 N VAL A 58 -10.191 -18.039 -17.799 1.00 35.30 N ATOM 947 CA VAL A 58 -11.333 -18.162 -16.900 1.00 60.02 C ATOM 948 C VAL A 58 -12.570 -17.493 -17.489 1.00 31.33 C ATOM 949 O VAL A 58 -13.685 -18.001 -17.360 1.00 22.51 O ATOM 950 CB VAL A 58 -11.033 -17.540 -15.523 1.00 63.34 C ATOM 951 CG1 VAL A 58 -12.241 -17.661 -14.608 1.00 14.41 C ATOM 952 CG2 VAL A 58 -9.812 -18.198 -14.897 1.00 41.54 C ATOM 0 H VAL A 58 -9.489 -17.362 -17.499 1.00 35.30 H new ATOM 0 HA VAL A 58 -11.524 -19.228 -16.775 1.00 60.02 H new ATOM 0 HB VAL A 58 -10.817 -16.481 -15.661 1.00 63.34 H new ATOM 0 HG11 VAL A 58 -12.010 -17.216 -13.640 1.00 14.41 H new ATOM 0 HG12 VAL A 58 -13.089 -17.140 -15.054 1.00 14.41 H new ATOM 0 HG13 VAL A 58 -12.491 -18.713 -14.473 1.00 14.41 H new ATOM 0 HG21 VAL A 58 -9.614 -17.747 -13.925 1.00 41.54 H new ATOM 0 HG22 VAL A 58 -9.998 -19.265 -14.771 1.00 41.54 H new ATOM 0 HG23 VAL A 58 -8.948 -18.054 -15.546 1.00 41.54 H new ATOM 962 N LEU A 59 -12.367 -16.351 -18.136 1.00 0.15 N ATOM 963 CA LEU A 59 -13.466 -15.611 -18.746 1.00 34.14 C ATOM 964 C LEU A 59 -13.956 -16.309 -20.010 1.00 54.35 C ATOM 965 O LEU A 59 -14.967 -15.918 -20.595 1.00 21.11 O ATOM 966 CB LEU A 59 -13.026 -14.184 -19.075 1.00 10.32 C ATOM 967 CG LEU A 59 -13.501 -13.096 -18.111 1.00 51.41 C ATOM 968 CD1 LEU A 59 -13.152 -13.463 -16.677 1.00 43.13 C ATOM 969 CD2 LEU A 59 -12.893 -11.751 -18.483 1.00 25.33 C ATOM 0 H LEU A 59 -11.451 -15.917 -18.252 1.00 0.15 H new ATOM 0 HA LEU A 59 -14.288 -15.575 -18.031 1.00 34.14 H new ATOM 0 HB2 LEU A 59 -11.937 -14.160 -19.110 1.00 10.32 H new ATOM 0 HB3 LEU A 59 -13.383 -13.937 -20.075 1.00 10.32 H new ATOM 0 HG LEU A 59 -14.585 -13.016 -18.190 1.00 51.41 H new ATOM 0 HD11 LEU A 59 -13.498 -12.677 -16.006 1.00 43.13 H new ATOM 0 HD12 LEU A 59 -13.636 -14.404 -16.414 1.00 43.13 H new ATOM 0 HD13 LEU A 59 -12.072 -13.572 -16.582 1.00 43.13 H new ATOM 0 HD21 LEU A 59 -13.242 -10.989 -17.786 1.00 25.33 H new ATOM 0 HD22 LEU A 59 -11.806 -11.817 -18.434 1.00 25.33 H new ATOM 0 HD23 LEU A 59 -13.195 -11.483 -19.495 1.00 25.33 H new ATOM 981 N SER A 60 -13.235 -17.344 -20.426 1.00 64.44 N ATOM 982 CA SER A 60 -13.595 -18.096 -21.623 1.00 21.01 C ATOM 983 C SER A 60 -14.813 -18.978 -21.364 1.00 40.44 C ATOM 984 O SER A 60 -15.464 -19.445 -22.299 1.00 31.22 O ATOM 985 CB SER A 60 -12.417 -18.957 -22.084 1.00 51.52 C ATOM 986 OG SER A 60 -12.797 -19.813 -23.147 1.00 62.04 O ATOM 0 H SER A 60 -12.397 -17.682 -19.952 1.00 64.44 H new ATOM 0 HA SER A 60 -13.844 -17.383 -22.409 1.00 21.01 H new ATOM 0 HB2 SER A 60 -11.597 -18.315 -22.405 1.00 51.52 H new ATOM 0 HB3 SER A 60 -12.048 -19.551 -21.248 1.00 51.52 H new ATOM 0 HG SER A 60 -12.027 -20.352 -23.425 1.00 62.04 H new ATOM 992 N ASP A 61 -15.114 -19.200 -20.090 1.00 14.00 N ATOM 993 CA ASP A 61 -16.255 -20.024 -19.707 1.00 24.44 C ATOM 994 C ASP A 61 -17.098 -19.326 -18.645 1.00 1.54 C ATOM 995 O ASP A 61 -16.566 -18.674 -17.747 1.00 1.42 O ATOM 996 CB ASP A 61 -15.778 -21.381 -19.186 1.00 20.14 C ATOM 997 CG ASP A 61 -16.803 -22.477 -19.402 1.00 50.01 C ATOM 998 OD1 ASP A 61 -16.438 -23.526 -19.973 1.00 52.42 O ATOM 999 OD2 ASP A 61 -17.970 -22.286 -19.001 1.00 14.40 O ATOM 0 H ASP A 61 -14.584 -18.821 -19.305 1.00 14.00 H new ATOM 0 HA ASP A 61 -16.873 -20.179 -20.591 1.00 24.44 H new ATOM 0 HB2 ASP A 61 -14.849 -21.653 -19.687 1.00 20.14 H new ATOM 0 HB3 ASP A 61 -15.555 -21.301 -18.122 1.00 20.14 H new ATOM 1004 N GLU A 62 -18.415 -19.466 -18.755 1.00 52.23 N ATOM 1005 CA GLU A 62 -19.331 -18.846 -17.805 1.00 53.12 C ATOM 1006 C GLU A 62 -19.140 -19.427 -16.407 1.00 51.40 C ATOM 1007 O GLU A 62 -19.204 -18.707 -15.410 1.00 23.42 O ATOM 1008 CB GLU A 62 -20.780 -19.042 -18.257 1.00 61.12 C ATOM 1009 CG GLU A 62 -21.117 -20.480 -18.614 1.00 63.10 C ATOM 1010 CD GLU A 62 -22.596 -20.685 -18.878 1.00 42.54 C ATOM 1011 OE1 GLU A 62 -22.944 -21.131 -19.991 1.00 60.22 O ATOM 1012 OE2 GLU A 62 -23.405 -20.398 -17.971 1.00 51.34 O ATOM 0 H GLU A 62 -18.872 -20.003 -19.492 1.00 52.23 H new ATOM 0 HA GLU A 62 -19.110 -17.779 -17.770 1.00 53.12 H new ATOM 0 HB2 GLU A 62 -21.448 -18.708 -17.463 1.00 61.12 H new ATOM 0 HB3 GLU A 62 -20.971 -18.407 -19.122 1.00 61.12 H new ATOM 0 HG2 GLU A 62 -20.550 -20.773 -19.498 1.00 63.10 H new ATOM 0 HG3 GLU A 62 -20.803 -21.135 -17.802 1.00 63.10 H new ATOM 1019 N VAL A 63 -18.906 -20.734 -16.342 1.00 51.53 N ATOM 1020 CA VAL A 63 -18.705 -21.412 -15.068 1.00 11.05 C ATOM 1021 C VAL A 63 -17.478 -20.869 -14.344 1.00 31.24 C ATOM 1022 O VAL A 63 -17.559 -20.454 -13.187 1.00 44.44 O ATOM 1023 CB VAL A 63 -18.544 -22.932 -15.260 1.00 4.42 C ATOM 1024 CG1 VAL A 63 -18.497 -23.638 -13.914 1.00 32.43 C ATOM 1025 CG2 VAL A 63 -19.670 -23.482 -16.122 1.00 11.24 C ATOM 0 H VAL A 63 -18.851 -21.344 -17.158 1.00 51.53 H new ATOM 0 HA VAL A 63 -19.593 -21.222 -14.465 1.00 11.05 H new ATOM 0 HB VAL A 63 -17.601 -23.118 -15.773 1.00 4.42 H new ATOM 0 HG11 VAL A 63 -18.383 -24.711 -14.070 1.00 32.43 H new ATOM 0 HG12 VAL A 63 -17.652 -23.263 -13.336 1.00 32.43 H new ATOM 0 HG13 VAL A 63 -19.422 -23.447 -13.370 1.00 32.43 H new ATOM 0 HG21 VAL A 63 -19.540 -24.557 -16.247 1.00 11.24 H new ATOM 0 HG22 VAL A 63 -20.627 -23.286 -15.639 1.00 11.24 H new ATOM 0 HG23 VAL A 63 -19.650 -22.998 -17.098 1.00 11.24 H new ATOM 1035 N LYS A 64 -16.341 -20.875 -15.031 1.00 74.15 N ATOM 1036 CA LYS A 64 -15.096 -20.382 -14.456 1.00 42.32 C ATOM 1037 C LYS A 64 -15.200 -18.896 -14.125 1.00 32.52 C ATOM 1038 O LYS A 64 -14.819 -18.465 -13.037 1.00 24.54 O ATOM 1039 CB LYS A 64 -13.934 -20.619 -15.424 1.00 10.13 C ATOM 1040 CG LYS A 64 -13.632 -22.088 -15.663 1.00 74.05 C ATOM 1041 CD LYS A 64 -12.285 -22.278 -16.340 1.00 1.54 C ATOM 1042 CE LYS A 64 -12.289 -21.723 -17.756 1.00 10.21 C ATOM 1043 NZ LYS A 64 -12.830 -22.706 -18.735 1.00 64.00 N ATOM 0 H LYS A 64 -16.256 -21.217 -15.988 1.00 74.15 H new ATOM 0 HA LYS A 64 -14.910 -20.930 -13.532 1.00 42.32 H new ATOM 0 HB2 LYS A 64 -14.164 -20.144 -16.378 1.00 10.13 H new ATOM 0 HB3 LYS A 64 -13.041 -20.132 -15.033 1.00 10.13 H new ATOM 0 HG2 LYS A 64 -13.641 -22.621 -14.712 1.00 74.05 H new ATOM 0 HG3 LYS A 64 -14.416 -22.526 -16.281 1.00 74.05 H new ATOM 0 HD2 LYS A 64 -11.510 -21.782 -15.756 1.00 1.54 H new ATOM 0 HD3 LYS A 64 -12.036 -23.339 -16.365 1.00 1.54 H new ATOM 0 HE2 LYS A 64 -12.887 -20.812 -17.787 1.00 10.21 H new ATOM 0 HE3 LYS A 64 -11.274 -21.448 -18.041 1.00 10.21 H new ATOM 0 HZ1 LYS A 64 -12.848 -22.278 -19.683 1.00 64.00 H new ATOM 0 HZ2 LYS A 64 -12.225 -23.552 -18.748 1.00 64.00 H new ATOM 0 HZ3 LYS A 64 -13.796 -22.975 -18.459 1.00 64.00 H new ATOM 1057 N ARG A 65 -15.720 -18.119 -15.069 1.00 74.31 N ATOM 1058 CA ARG A 65 -15.875 -16.682 -14.877 1.00 30.54 C ATOM 1059 C ARG A 65 -16.717 -16.387 -13.638 1.00 63.35 C ATOM 1060 O ARG A 65 -16.404 -15.483 -12.863 1.00 34.51 O ATOM 1061 CB ARG A 65 -16.522 -16.048 -16.109 1.00 42.12 C ATOM 1062 CG ARG A 65 -16.749 -14.551 -15.975 1.00 72.12 C ATOM 1063 CD ARG A 65 -17.692 -14.033 -17.050 1.00 12.54 C ATOM 1064 NE ARG A 65 -18.437 -12.858 -16.604 1.00 31.13 N ATOM 1065 CZ ARG A 65 -19.414 -12.905 -15.704 1.00 65.13 C ATOM 1066 NH1 ARG A 65 -19.761 -14.062 -15.158 1.00 23.04 N ATOM 1067 NH2 ARG A 65 -20.045 -11.793 -15.350 1.00 24.03 N ATOM 0 H ARG A 65 -16.041 -18.460 -15.975 1.00 74.31 H new ATOM 0 HA ARG A 65 -14.884 -16.251 -14.733 1.00 30.54 H new ATOM 0 HB2 ARG A 65 -15.890 -16.235 -16.977 1.00 42.12 H new ATOM 0 HB3 ARG A 65 -17.478 -16.536 -16.299 1.00 42.12 H new ATOM 0 HG2 ARG A 65 -17.162 -14.331 -14.990 1.00 72.12 H new ATOM 0 HG3 ARG A 65 -15.794 -14.029 -16.044 1.00 72.12 H new ATOM 0 HD2 ARG A 65 -17.120 -13.782 -17.944 1.00 12.54 H new ATOM 0 HD3 ARG A 65 -18.391 -14.821 -17.330 1.00 12.54 H new ATOM 0 HE ARG A 65 -18.194 -11.952 -17.005 1.00 31.13 H new ATOM 0 HH11 ARG A 65 -19.278 -14.919 -15.428 1.00 23.04 H new ATOM 0 HH12 ARG A 65 -20.511 -14.096 -14.468 1.00 23.04 H new ATOM 0 HH21 ARG A 65 -19.781 -10.901 -15.769 1.00 24.03 H new ATOM 0 HH22 ARG A 65 -20.795 -11.830 -14.659 1.00 24.03 H new ATOM 1081 N LYS A 66 -17.786 -17.155 -13.459 1.00 60.45 N ATOM 1082 CA LYS A 66 -18.673 -16.978 -12.316 1.00 72.11 C ATOM 1083 C LYS A 66 -17.965 -17.346 -11.016 1.00 35.10 C ATOM 1084 O LYS A 66 -18.124 -16.669 -10.000 1.00 61.53 O ATOM 1085 CB LYS A 66 -19.932 -17.833 -12.484 1.00 3.34 C ATOM 1086 CG LYS A 66 -20.940 -17.246 -13.456 1.00 14.22 C ATOM 1087 CD LYS A 66 -21.507 -15.931 -12.946 1.00 31.53 C ATOM 1088 CE LYS A 66 -22.598 -15.401 -13.863 1.00 72.43 C ATOM 1089 NZ LYS A 66 -23.733 -16.357 -13.985 1.00 74.42 N ATOM 0 H LYS A 66 -18.059 -17.907 -14.092 1.00 60.45 H new ATOM 0 HA LYS A 66 -18.959 -15.927 -12.269 1.00 72.11 H new ATOM 0 HB2 LYS A 66 -19.643 -18.826 -12.828 1.00 3.34 H new ATOM 0 HB3 LYS A 66 -20.408 -17.959 -11.512 1.00 3.34 H new ATOM 0 HG2 LYS A 66 -20.464 -17.087 -14.423 1.00 14.22 H new ATOM 0 HG3 LYS A 66 -21.752 -17.957 -13.613 1.00 14.22 H new ATOM 0 HD2 LYS A 66 -21.910 -16.072 -11.943 1.00 31.53 H new ATOM 0 HD3 LYS A 66 -20.707 -15.195 -12.867 1.00 31.53 H new ATOM 0 HE2 LYS A 66 -22.965 -14.449 -13.479 1.00 72.43 H new ATOM 0 HE3 LYS A 66 -22.180 -15.206 -14.850 1.00 72.43 H new ATOM 0 HZ1 LYS A 66 -24.564 -15.862 -14.368 1.00 74.42 H new ATOM 0 HZ2 LYS A 66 -23.467 -17.132 -14.625 1.00 74.42 H new ATOM 0 HZ3 LYS A 66 -23.962 -16.745 -13.048 1.00 74.42 H new ATOM 1103 N GLN A 67 -17.184 -18.421 -11.056 1.00 54.34 N ATOM 1104 CA GLN A 67 -16.452 -18.877 -9.881 1.00 11.22 C ATOM 1105 C GLN A 67 -15.513 -17.790 -9.369 1.00 2.21 C ATOM 1106 O GLN A 67 -15.481 -17.495 -8.174 1.00 14.20 O ATOM 1107 CB GLN A 67 -15.657 -20.142 -10.208 1.00 50.13 C ATOM 1108 CG GLN A 67 -16.512 -21.397 -10.276 1.00 63.23 C ATOM 1109 CD GLN A 67 -17.208 -21.701 -8.964 1.00 63.03 C ATOM 1110 OE1 GLN A 67 -16.647 -22.362 -8.089 1.00 51.52 O ATOM 1111 NE2 GLN A 67 -18.437 -21.219 -8.820 1.00 63.23 N ATOM 0 H GLN A 67 -17.042 -18.992 -11.889 1.00 54.34 H new ATOM 0 HA GLN A 67 -17.176 -19.104 -9.099 1.00 11.22 H new ATOM 0 HB2 GLN A 67 -15.150 -20.006 -11.163 1.00 50.13 H new ATOM 0 HB3 GLN A 67 -14.883 -20.280 -9.453 1.00 50.13 H new ATOM 0 HG2 GLN A 67 -17.259 -21.281 -11.061 1.00 63.23 H new ATOM 0 HG3 GLN A 67 -15.886 -22.244 -10.555 1.00 63.23 H new ATOM 0 HE21 GLN A 67 -18.863 -20.676 -9.571 1.00 63.23 H new ATOM 0 HE22 GLN A 67 -18.955 -21.391 -7.958 1.00 63.23 H new ATOM 1120 N TYR A 68 -14.749 -17.198 -10.280 1.00 62.02 N ATOM 1121 CA TYR A 68 -13.806 -16.145 -9.920 1.00 72.45 C ATOM 1122 C TYR A 68 -14.537 -14.925 -9.369 1.00 20.14 C ATOM 1123 O TYR A 68 -14.027 -14.225 -8.493 1.00 61.44 O ATOM 1124 CB TYR A 68 -12.968 -15.745 -11.136 1.00 20.33 C ATOM 1125 CG TYR A 68 -11.908 -14.712 -10.827 1.00 21.44 C ATOM 1126 CD1 TYR A 68 -10.722 -15.072 -10.198 1.00 32.22 C ATOM 1127 CD2 TYR A 68 -12.092 -13.377 -11.162 1.00 52.22 C ATOM 1128 CE1 TYR A 68 -9.751 -14.132 -9.913 1.00 0.13 C ATOM 1129 CE2 TYR A 68 -11.126 -12.430 -10.882 1.00 61.13 C ATOM 1130 CZ TYR A 68 -9.957 -12.812 -10.257 1.00 73.43 C ATOM 1131 OH TYR A 68 -8.993 -11.872 -9.975 1.00 60.15 O ATOM 0 H TYR A 68 -14.764 -17.429 -11.273 1.00 62.02 H new ATOM 0 HA TYR A 68 -13.146 -16.532 -9.144 1.00 72.45 H new ATOM 0 HB2 TYR A 68 -12.489 -16.634 -11.545 1.00 20.33 H new ATOM 0 HB3 TYR A 68 -13.629 -15.355 -11.910 1.00 20.33 H new ATOM 0 HD1 TYR A 68 -10.557 -16.104 -9.927 1.00 32.22 H new ATOM 0 HD2 TYR A 68 -13.006 -13.074 -11.650 1.00 52.22 H new ATOM 0 HE1 TYR A 68 -8.835 -14.429 -9.423 1.00 0.13 H new ATOM 0 HE2 TYR A 68 -11.285 -11.396 -11.151 1.00 61.13 H new ATOM 0 HH TYR A 68 -9.359 -10.974 -10.119 1.00 60.15 H new ATOM 1141 N ASP A 69 -15.735 -14.677 -9.887 1.00 2.15 N ATOM 1142 CA ASP A 69 -16.538 -13.543 -9.446 1.00 13.43 C ATOM 1143 C ASP A 69 -16.877 -13.660 -7.963 1.00 33.40 C ATOM 1144 O ASP A 69 -16.982 -12.657 -7.258 1.00 41.15 O ATOM 1145 CB ASP A 69 -17.824 -13.450 -10.270 1.00 4.24 C ATOM 1146 CG ASP A 69 -17.552 -13.192 -11.739 1.00 31.13 C ATOM 1147 OD1 ASP A 69 -18.518 -13.193 -12.530 1.00 74.41 O ATOM 1148 OD2 ASP A 69 -16.374 -12.988 -12.097 1.00 25.30 O ATOM 0 H ASP A 69 -16.171 -15.246 -10.613 1.00 2.15 H new ATOM 0 HA ASP A 69 -15.953 -12.636 -9.596 1.00 13.43 H new ATOM 0 HB2 ASP A 69 -18.387 -14.377 -10.165 1.00 4.24 H new ATOM 0 HB3 ASP A 69 -18.449 -12.650 -9.873 1.00 4.24 H new ATOM 1153 N ALA A 70 -17.049 -14.893 -7.497 1.00 1.05 N ATOM 1154 CA ALA A 70 -17.375 -15.142 -6.098 1.00 11.01 C ATOM 1155 C ALA A 70 -16.296 -14.585 -5.175 1.00 73.40 C ATOM 1156 O ALA A 70 -16.580 -14.177 -4.049 1.00 5.05 O ATOM 1157 CB ALA A 70 -17.561 -16.633 -5.857 1.00 12.34 C ATOM 0 H ALA A 70 -16.968 -15.735 -8.068 1.00 1.05 H new ATOM 0 HA ALA A 70 -18.310 -14.629 -5.871 1.00 11.01 H new ATOM 0 HB1 ALA A 70 -17.804 -16.805 -4.808 1.00 12.34 H new ATOM 0 HB2 ALA A 70 -18.372 -17.004 -6.483 1.00 12.34 H new ATOM 0 HB3 ALA A 70 -16.640 -17.160 -6.107 1.00 12.34 H new ATOM 1163 N TYR A 71 -15.059 -14.573 -5.659 1.00 14.20 N ATOM 1164 CA TYR A 71 -13.937 -14.069 -4.876 1.00 33.12 C ATOM 1165 C TYR A 71 -13.465 -12.719 -5.407 1.00 22.22 C ATOM 1166 O TYR A 71 -12.299 -12.356 -5.261 1.00 44.41 O ATOM 1167 CB TYR A 71 -12.782 -15.071 -4.898 1.00 60.32 C ATOM 1168 CG TYR A 71 -13.056 -16.329 -4.105 1.00 3.25 C ATOM 1169 CD1 TYR A 71 -12.845 -16.367 -2.732 1.00 4.24 C ATOM 1170 CD2 TYR A 71 -13.524 -17.479 -4.727 1.00 53.12 C ATOM 1171 CE1 TYR A 71 -13.093 -17.514 -2.002 1.00 44.33 C ATOM 1172 CE2 TYR A 71 -13.776 -18.630 -4.006 1.00 15.33 C ATOM 1173 CZ TYR A 71 -13.559 -18.642 -2.644 1.00 22.22 C ATOM 1174 OH TYR A 71 -13.807 -19.787 -1.922 1.00 14.02 O ATOM 0 H TYR A 71 -14.808 -14.906 -6.590 1.00 14.20 H new ATOM 0 HA TYR A 71 -14.274 -13.936 -3.848 1.00 33.12 H new ATOM 0 HB2 TYR A 71 -12.568 -15.343 -5.932 1.00 60.32 H new ATOM 0 HB3 TYR A 71 -11.887 -14.590 -4.503 1.00 60.32 H new ATOM 0 HD1 TYR A 71 -12.481 -15.485 -2.227 1.00 4.24 H new ATOM 0 HD2 TYR A 71 -13.694 -17.473 -5.794 1.00 53.12 H new ATOM 0 HE1 TYR A 71 -12.923 -17.527 -0.936 1.00 44.33 H new ATOM 0 HE2 TYR A 71 -14.141 -19.515 -4.506 1.00 15.33 H new ATOM 0 HH TYR A 71 -14.131 -20.489 -2.524 1.00 14.02 H new ATOM 1184 N GLY A 72 -14.381 -11.979 -6.024 1.00 34.43 N ATOM 1185 CA GLY A 72 -14.041 -10.677 -6.567 1.00 61.51 C ATOM 1186 C GLY A 72 -14.605 -9.539 -5.741 1.00 1.23 C ATOM 1187 O GLY A 72 -15.683 -9.660 -5.159 1.00 50.40 O ATOM 0 H GLY A 72 -15.353 -12.258 -6.158 1.00 34.43 H new ATOM 0 HA2 GLY A 72 -12.957 -10.581 -6.620 1.00 61.51 H new ATOM 0 HA3 GLY A 72 -14.418 -10.603 -7.587 1.00 61.51 H new ATOM 1191 N SER A 73 -13.874 -8.430 -5.687 1.00 1.00 N ATOM 1192 CA SER A 73 -14.305 -7.267 -4.921 1.00 10.52 C ATOM 1193 C SER A 73 -14.857 -6.183 -5.842 1.00 72.35 C ATOM 1194 O SER A 73 -14.482 -6.098 -7.010 1.00 44.34 O ATOM 1195 CB SER A 73 -13.140 -6.709 -4.101 1.00 21.21 C ATOM 1196 OG SER A 73 -13.476 -5.460 -3.521 1.00 64.51 O ATOM 0 H SER A 73 -12.980 -8.313 -6.165 1.00 1.00 H new ATOM 0 HA SER A 73 -15.099 -7.584 -4.244 1.00 10.52 H new ATOM 0 HB2 SER A 73 -12.871 -7.417 -3.317 1.00 21.21 H new ATOM 0 HB3 SER A 73 -12.264 -6.593 -4.740 1.00 21.21 H new ATOM 0 HG SER A 73 -12.716 -5.126 -3.001 1.00 64.51 H new TER 1202 SER A 73