USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 752 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 22 LYS NZ :NH3+ -129:sc= 0.408 (180deg=0) USER MOD Set 1.2: A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= -0.0968 USER MOD Set 2.2: A 4 THR OG1 : rot 110:sc= -1.59 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.74 (180deg=1.23) USER MOD Single : A 5 TYR OH : rot 180:sc= -4.13! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -57:sc= 0.888 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -3.98! X(o=-4!,f=-4.4) USER MOD Single : A 48 TYR OH : rot -57:sc= 0.562 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 58 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-1.5) USER MOD Single : A 59 THR OG1 : rot 100:sc= -1.15 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.32 X(o=-3.3,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 70 SER OG : rot -58:sc= 1.21 USER MOD Single : A 72 HIS : no HD1:sc=-0.00374 X(o=-0.0037,f=-0.041) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= 0.553 (180deg=0.151) USER MOD Single : A 83 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.064) USER MOD Single : A 84 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.182 0.813 -3.364 1.00 24.53 N ATOM 2 CA MET A 1 2.129 1.337 -2.386 1.00 64.53 C ATOM 3 C MET A 1 2.825 2.585 -2.919 1.00 4.13 C ATOM 4 O MET A 1 2.898 2.798 -4.129 1.00 25.14 O ATOM 5 CB MET A 1 3.169 0.272 -2.030 1.00 33.13 C ATOM 6 CG MET A 1 2.634 -0.817 -1.114 1.00 75.24 C ATOM 7 SD MET A 1 3.939 -1.660 -0.200 1.00 44.12 S ATOM 8 CE MET A 1 2.978 -2.809 0.781 1.00 2.05 C ATOM 0 H1 MET A 1 0.524 0.159 -2.894 1.00 24.53 H new ATOM 0 H2 MET A 1 0.647 1.599 -3.785 1.00 24.53 H new ATOM 0 H3 MET A 1 1.699 0.306 -4.111 1.00 24.53 H new ATOM 0 HA MET A 1 1.574 1.607 -1.488 1.00 64.53 H new ATOM 0 HB2 MET A 1 3.538 -0.185 -2.948 1.00 33.13 H new ATOM 0 HB3 MET A 1 4.021 0.754 -1.550 1.00 33.13 H new ATOM 0 HG2 MET A 1 1.927 -0.379 -0.409 1.00 75.24 H new ATOM 0 HG3 MET A 1 2.082 -1.546 -1.707 1.00 75.24 H new ATOM 0 HE1 MET A 1 3.647 -3.405 1.402 1.00 2.05 H new ATOM 0 HE2 MET A 1 2.288 -2.255 1.418 1.00 2.05 H new ATOM 0 HE3 MET A 1 2.413 -3.467 0.121 1.00 2.05 H new ATOM 18 N ALA A 2 3.335 3.407 -2.007 1.00 53.43 N ATOM 19 CA ALA A 2 4.026 4.633 -2.386 1.00 10.50 C ATOM 20 C ALA A 2 5.209 4.336 -3.301 1.00 52.54 C ATOM 21 O ALA A 2 5.713 5.224 -3.990 1.00 42.22 O ATOM 22 CB ALA A 2 4.491 5.382 -1.146 1.00 20.25 C ATOM 0 H ALA A 2 3.282 3.246 -1.001 1.00 53.43 H new ATOM 0 HA ALA A 2 3.324 5.261 -2.935 1.00 10.50 H new ATOM 0 HB1 ALA A 2 5.005 6.296 -1.444 1.00 20.25 H new ATOM 0 HB2 ALA A 2 3.629 5.636 -0.530 1.00 20.25 H new ATOM 0 HB3 ALA A 2 5.173 4.752 -0.575 1.00 20.25 H new ATOM 28 N THR A 3 5.649 3.082 -3.304 1.00 73.14 N ATOM 29 CA THR A 3 6.774 2.668 -4.134 1.00 15.34 C ATOM 30 C THR A 3 6.601 3.144 -5.572 1.00 12.15 C ATOM 31 O THR A 3 7.378 3.963 -6.064 1.00 11.24 O ATOM 32 CB THR A 3 6.942 1.137 -4.128 1.00 44.23 C ATOM 33 OG1 THR A 3 5.670 0.505 -3.952 1.00 31.33 O ATOM 34 CG2 THR A 3 7.889 0.701 -3.021 1.00 4.04 C ATOM 0 H THR A 3 5.243 2.335 -2.741 1.00 73.14 H new ATOM 0 HA THR A 3 7.667 3.126 -3.708 1.00 15.34 H new ATOM 0 HB THR A 3 7.366 0.836 -5.086 1.00 44.23 H new ATOM 0 HG1 THR A 3 5.786 -0.468 -3.951 1.00 31.33 H new ATOM 0 HG21 THR A 3 7.992 -0.384 -3.037 1.00 4.04 H new ATOM 0 HG22 THR A 3 8.865 1.160 -3.175 1.00 4.04 H new ATOM 0 HG23 THR A 3 7.489 1.014 -2.056 1.00 4.04 H new ATOM 42 N THR A 4 5.576 2.626 -6.242 1.00 44.45 N ATOM 43 CA THR A 4 5.302 2.998 -7.625 1.00 11.24 C ATOM 44 C THR A 4 4.361 4.195 -7.695 1.00 51.45 C ATOM 45 O THR A 4 4.312 4.900 -8.704 1.00 3.22 O ATOM 46 CB THR A 4 4.683 1.826 -8.409 1.00 51.13 C ATOM 47 OG1 THR A 4 4.208 0.826 -7.502 1.00 31.43 O ATOM 48 CG2 THR A 4 5.701 1.214 -9.360 1.00 32.33 C ATOM 0 H THR A 4 4.922 1.948 -5.850 1.00 44.45 H new ATOM 0 HA THR A 4 6.258 3.263 -8.077 1.00 11.24 H new ATOM 0 HB THR A 4 3.848 2.210 -8.994 1.00 51.13 H new ATOM 0 HG1 THR A 4 3.228 0.815 -7.512 1.00 31.43 H new ATOM 0 HG21 THR A 4 5.241 0.388 -9.903 1.00 32.33 H new ATOM 0 HG22 THR A 4 6.038 1.971 -10.068 1.00 32.33 H new ATOM 0 HG23 THR A 4 6.554 0.844 -8.791 1.00 32.33 H new ATOM 56 N TYR A 5 3.616 4.420 -6.619 1.00 55.43 N ATOM 57 CA TYR A 5 2.674 5.532 -6.560 1.00 42.34 C ATOM 58 C TYR A 5 3.409 6.861 -6.417 1.00 3.44 C ATOM 59 O TYR A 5 3.173 7.799 -7.178 1.00 34.13 O ATOM 60 CB TYR A 5 1.703 5.345 -5.393 1.00 64.22 C ATOM 61 CG TYR A 5 0.556 4.410 -5.704 1.00 2.20 C ATOM 62 CD1 TYR A 5 0.162 3.436 -4.794 1.00 40.44 C ATOM 63 CD2 TYR A 5 -0.133 4.500 -6.907 1.00 62.01 C ATOM 64 CE1 TYR A 5 -0.885 2.580 -5.074 1.00 71.22 C ATOM 65 CE2 TYR A 5 -1.182 3.649 -7.195 1.00 20.34 C ATOM 66 CZ TYR A 5 -1.554 2.690 -6.275 1.00 52.22 C ATOM 67 OH TYR A 5 -2.598 1.839 -6.559 1.00 1.35 O ATOM 0 H TYR A 5 3.646 3.847 -5.775 1.00 55.43 H new ATOM 0 HA TYR A 5 2.111 5.547 -7.493 1.00 42.34 H new ATOM 0 HB2 TYR A 5 2.251 4.960 -4.533 1.00 64.22 H new ATOM 0 HB3 TYR A 5 1.301 6.317 -5.106 1.00 64.22 H new ATOM 0 HD1 TYR A 5 0.683 3.347 -3.852 1.00 40.44 H new ATOM 0 HD2 TYR A 5 0.157 5.249 -7.630 1.00 62.01 H new ATOM 0 HE1 TYR A 5 -1.178 1.828 -4.356 1.00 71.22 H new ATOM 0 HE2 TYR A 5 -1.708 3.734 -8.134 1.00 20.34 H new ATOM 0 HH TYR A 5 -2.961 2.051 -7.444 1.00 1.35 H new ATOM 77 N GLU A 6 4.303 6.933 -5.435 1.00 33.12 N ATOM 78 CA GLU A 6 5.073 8.147 -5.191 1.00 33.14 C ATOM 79 C GLU A 6 6.021 8.432 -6.352 1.00 10.44 C ATOM 80 O GLU A 6 6.468 9.564 -6.537 1.00 74.10 O ATOM 81 CB GLU A 6 5.867 8.021 -3.889 1.00 34.44 C ATOM 82 CG GLU A 6 6.146 9.353 -3.214 1.00 55.21 C ATOM 83 CD GLU A 6 7.523 9.411 -2.583 1.00 63.34 C ATOM 84 OE1 GLU A 6 8.431 10.010 -3.197 1.00 65.51 O ATOM 85 OE2 GLU A 6 7.694 8.857 -1.477 1.00 54.31 O ATOM 0 H GLU A 6 4.511 6.165 -4.796 1.00 33.12 H new ATOM 0 HA GLU A 6 4.374 8.979 -5.103 1.00 33.14 H new ATOM 0 HB2 GLU A 6 5.317 7.382 -3.198 1.00 34.44 H new ATOM 0 HB3 GLU A 6 6.814 7.524 -4.098 1.00 34.44 H new ATOM 0 HG2 GLU A 6 6.053 10.154 -3.947 1.00 55.21 H new ATOM 0 HG3 GLU A 6 5.392 9.533 -2.448 1.00 55.21 H new ATOM 92 N GLU A 7 6.323 7.398 -7.129 1.00 65.53 N ATOM 93 CA GLU A 7 7.220 7.537 -8.271 1.00 54.11 C ATOM 94 C GLU A 7 6.443 7.911 -9.530 1.00 75.41 C ATOM 95 O GLU A 7 6.914 8.694 -10.355 1.00 10.14 O ATOM 96 CB GLU A 7 7.993 6.237 -8.503 1.00 11.24 C ATOM 97 CG GLU A 7 9.310 6.434 -9.235 1.00 15.50 C ATOM 98 CD GLU A 7 9.951 5.123 -9.646 1.00 13.22 C ATOM 99 OE1 GLU A 7 10.037 4.214 -8.794 1.00 64.54 O ATOM 100 OE2 GLU A 7 10.366 5.007 -10.818 1.00 31.54 O ATOM 0 H GLU A 7 5.960 6.455 -6.989 1.00 65.53 H new ATOM 0 HA GLU A 7 7.927 8.336 -8.050 1.00 54.11 H new ATOM 0 HB2 GLU A 7 8.189 5.764 -7.541 1.00 11.24 H new ATOM 0 HB3 GLU A 7 7.369 5.550 -9.074 1.00 11.24 H new ATOM 0 HG2 GLU A 7 9.141 7.045 -10.122 1.00 15.50 H new ATOM 0 HG3 GLU A 7 9.998 6.986 -8.595 1.00 15.50 H new ATOM 107 N PHE A 8 5.249 7.344 -9.672 1.00 30.44 N ATOM 108 CA PHE A 8 4.406 7.615 -10.830 1.00 42.03 C ATOM 109 C PHE A 8 3.702 8.961 -10.687 1.00 75.10 C ATOM 110 O PHE A 8 3.558 9.705 -11.657 1.00 21.22 O ATOM 111 CB PHE A 8 3.372 6.501 -11.007 1.00 50.43 C ATOM 112 CG PHE A 8 3.904 5.300 -11.735 1.00 33.44 C ATOM 113 CD1 PHE A 8 5.169 4.809 -11.456 1.00 61.32 C ATOM 114 CD2 PHE A 8 3.138 4.661 -12.697 1.00 42.10 C ATOM 115 CE1 PHE A 8 5.661 3.703 -12.123 1.00 63.34 C ATOM 116 CE2 PHE A 8 3.625 3.555 -13.367 1.00 31.40 C ATOM 117 CZ PHE A 8 4.888 3.076 -13.081 1.00 24.52 C ATOM 0 H PHE A 8 4.844 6.694 -8.999 1.00 30.44 H new ATOM 0 HA PHE A 8 5.045 7.651 -11.713 1.00 42.03 H new ATOM 0 HB2 PHE A 8 3.012 6.191 -10.026 1.00 50.43 H new ATOM 0 HB3 PHE A 8 2.514 6.896 -11.552 1.00 50.43 H new ATOM 0 HD1 PHE A 8 5.778 5.296 -10.709 1.00 61.32 H new ATOM 0 HD2 PHE A 8 2.150 5.032 -12.926 1.00 42.10 H new ATOM 0 HE1 PHE A 8 6.648 3.329 -11.896 1.00 63.34 H new ATOM 0 HE2 PHE A 8 3.018 3.065 -14.114 1.00 31.40 H new ATOM 0 HZ PHE A 8 5.271 2.213 -13.605 1.00 24.52 H new ATOM 127 N ALA A 9 3.263 9.266 -9.470 1.00 62.10 N ATOM 128 CA ALA A 9 2.575 10.522 -9.198 1.00 71.35 C ATOM 129 C ALA A 9 3.482 11.716 -9.476 1.00 32.14 C ATOM 130 O ALA A 9 3.009 12.838 -9.656 1.00 20.41 O ATOM 131 CB ALA A 9 2.083 10.553 -7.759 1.00 55.22 C ATOM 0 H ALA A 9 3.372 8.660 -8.657 1.00 62.10 H new ATOM 0 HA ALA A 9 1.716 10.589 -9.865 1.00 71.35 H new ATOM 0 HB1 ALA A 9 1.571 11.497 -7.570 1.00 55.22 H new ATOM 0 HB2 ALA A 9 1.393 9.726 -7.593 1.00 55.22 H new ATOM 0 HB3 ALA A 9 2.932 10.459 -7.082 1.00 55.22 H new ATOM 137 N ALA A 10 4.787 11.467 -9.507 1.00 51.13 N ATOM 138 CA ALA A 10 5.760 12.522 -9.764 1.00 33.13 C ATOM 139 C ALA A 10 5.910 12.778 -11.259 1.00 50.34 C ATOM 140 O ALA A 10 6.144 13.909 -11.686 1.00 0.43 O ATOM 141 CB ALA A 10 7.104 12.160 -9.151 1.00 4.14 C ATOM 0 H ALA A 10 5.195 10.544 -9.357 1.00 51.13 H new ATOM 0 HA ALA A 10 5.396 13.439 -9.300 1.00 33.13 H new ATOM 0 HB1 ALA A 10 7.821 12.956 -9.350 1.00 4.14 H new ATOM 0 HB2 ALA A 10 6.991 12.035 -8.074 1.00 4.14 H new ATOM 0 HB3 ALA A 10 7.465 11.229 -9.589 1.00 4.14 H new ATOM 147 N LYS A 11 5.775 11.721 -12.053 1.00 13.13 N ATOM 148 CA LYS A 11 5.895 11.831 -13.502 1.00 32.23 C ATOM 149 C LYS A 11 4.543 12.139 -14.138 1.00 2.42 C ATOM 150 O LYS A 11 4.472 12.766 -15.196 1.00 0.43 O ATOM 151 CB LYS A 11 6.462 10.535 -14.087 1.00 12.43 C ATOM 152 CG LYS A 11 7.269 10.744 -15.356 1.00 60.54 C ATOM 153 CD LYS A 11 6.641 10.026 -16.540 1.00 5.50 C ATOM 154 CE LYS A 11 6.823 10.814 -17.829 1.00 21.43 C ATOM 155 NZ LYS A 11 7.956 10.292 -18.642 1.00 43.11 N ATOM 0 H LYS A 11 5.582 10.777 -11.717 1.00 13.13 H new ATOM 0 HA LYS A 11 6.577 12.652 -13.724 1.00 32.23 H new ATOM 0 HB2 LYS A 11 7.093 10.054 -13.340 1.00 12.43 H new ATOM 0 HB3 LYS A 11 5.640 9.851 -14.297 1.00 12.43 H new ATOM 0 HG2 LYS A 11 7.340 11.810 -15.572 1.00 60.54 H new ATOM 0 HG3 LYS A 11 8.286 10.380 -15.206 1.00 60.54 H new ATOM 0 HD2 LYS A 11 7.091 9.039 -16.649 1.00 5.50 H new ATOM 0 HD3 LYS A 11 5.578 9.873 -16.352 1.00 5.50 H new ATOM 0 HE2 LYS A 11 5.905 10.770 -18.415 1.00 21.43 H new ATOM 0 HE3 LYS A 11 6.999 11.863 -17.592 1.00 21.43 H new ATOM 0 HZ1 LYS A 11 8.048 10.855 -19.512 1.00 43.11 H new ATOM 0 HZ2 LYS A 11 8.837 10.358 -18.093 1.00 43.11 H new ATOM 0 HZ3 LYS A 11 7.776 9.298 -18.890 1.00 43.11 H new ATOM 169 N LEU A 12 3.473 11.697 -13.487 1.00 23.14 N ATOM 170 CA LEU A 12 2.123 11.927 -13.988 1.00 12.31 C ATOM 171 C LEU A 12 1.681 13.363 -13.724 1.00 5.33 C ATOM 172 O LEU A 12 0.900 13.933 -14.485 1.00 50.23 O ATOM 173 CB LEU A 12 1.142 10.952 -13.335 1.00 71.11 C ATOM 174 CG LEU A 12 0.916 9.632 -14.074 1.00 1.15 C ATOM 175 CD1 LEU A 12 0.258 9.881 -15.422 1.00 35.44 C ATOM 176 CD2 LEU A 12 2.232 8.888 -14.250 1.00 33.23 C ATOM 0 H LEU A 12 3.514 11.177 -12.610 1.00 23.14 H new ATOM 0 HA LEU A 12 2.129 11.760 -15.065 1.00 12.31 H new ATOM 0 HB2 LEU A 12 1.500 10.726 -12.330 1.00 71.11 H new ATOM 0 HB3 LEU A 12 0.180 11.454 -13.226 1.00 71.11 H new ATOM 0 HG LEU A 12 0.248 9.012 -13.476 1.00 1.15 H new ATOM 0 HD11 LEU A 12 0.105 8.931 -15.933 1.00 35.44 H new ATOM 0 HD12 LEU A 12 -0.704 10.371 -15.272 1.00 35.44 H new ATOM 0 HD13 LEU A 12 0.900 10.520 -16.028 1.00 35.44 H new ATOM 0 HD21 LEU A 12 2.053 7.951 -14.778 1.00 33.23 H new ATOM 0 HD22 LEU A 12 2.923 9.503 -14.827 1.00 33.23 H new ATOM 0 HD23 LEU A 12 2.664 8.677 -13.272 1.00 33.23 H new ATOM 188 N ASP A 13 2.189 13.943 -12.641 1.00 72.24 N ATOM 189 CA ASP A 13 1.850 15.314 -12.278 1.00 72.11 C ATOM 190 C ASP A 13 2.266 16.286 -13.377 1.00 44.14 C ATOM 191 O ASP A 13 1.810 17.429 -13.415 1.00 20.15 O ATOM 192 CB ASP A 13 2.524 15.696 -10.960 1.00 12.35 C ATOM 193 CG ASP A 13 1.665 15.368 -9.754 1.00 24.21 C ATOM 194 OD1 ASP A 13 0.742 14.538 -9.891 1.00 21.31 O ATOM 195 OD2 ASP A 13 1.917 15.940 -8.673 1.00 43.01 O ATOM 0 H ASP A 13 2.837 13.485 -12.000 1.00 72.24 H new ATOM 0 HA ASP A 13 0.769 15.375 -12.155 1.00 72.11 H new ATOM 0 HB2 ASP A 13 3.476 15.172 -10.877 1.00 12.35 H new ATOM 0 HB3 ASP A 13 2.746 16.763 -10.965 1.00 12.35 H new ATOM 200 N ARG A 14 3.136 15.825 -14.270 1.00 22.30 N ATOM 201 CA ARG A 14 3.616 16.654 -15.369 1.00 1.24 C ATOM 202 C ARG A 14 2.830 16.373 -16.646 1.00 22.31 C ATOM 203 O ARG A 14 3.064 16.997 -17.682 1.00 31.12 O ATOM 204 CB ARG A 14 5.107 16.407 -15.609 1.00 75.02 C ATOM 205 CG ARG A 14 6.005 17.485 -15.026 1.00 12.34 C ATOM 206 CD ARG A 14 7.475 17.140 -15.200 1.00 44.14 C ATOM 207 NE ARG A 14 8.107 16.777 -13.934 1.00 54.04 N ATOM 208 CZ ARG A 14 8.422 17.658 -12.991 1.00 62.24 C ATOM 209 NH1 ARG A 14 8.166 18.946 -13.171 1.00 2.33 N ATOM 210 NH2 ARG A 14 8.995 17.250 -11.866 1.00 14.01 N ATOM 0 H ARG A 14 3.523 14.881 -14.254 1.00 22.30 H new ATOM 0 HA ARG A 14 3.468 17.698 -15.095 1.00 1.24 H new ATOM 0 HB2 ARG A 14 5.381 15.445 -15.177 1.00 75.02 H new ATOM 0 HB3 ARG A 14 5.287 16.337 -16.682 1.00 75.02 H new ATOM 0 HG2 ARG A 14 5.794 18.438 -15.512 1.00 12.34 H new ATOM 0 HG3 ARG A 14 5.783 17.611 -13.966 1.00 12.34 H new ATOM 0 HD2 ARG A 14 7.572 16.313 -15.904 1.00 44.14 H new ATOM 0 HD3 ARG A 14 7.998 17.992 -15.635 1.00 44.14 H new ATOM 0 HE ARG A 14 8.318 15.793 -13.765 1.00 54.04 H new ATOM 0 HH11 ARG A 14 7.726 19.263 -14.035 1.00 2.33 H new ATOM 0 HH12 ARG A 14 8.409 19.620 -12.445 1.00 2.33 H new ATOM 0 HH21 ARG A 14 9.194 16.260 -11.725 1.00 14.01 H new ATOM 0 HH22 ARG A 14 9.237 17.927 -11.142 1.00 14.01 H new ATOM 224 N LEU A 15 1.899 15.429 -16.565 1.00 55.31 N ATOM 225 CA LEU A 15 1.078 15.064 -17.715 1.00 12.24 C ATOM 226 C LEU A 15 -0.324 15.653 -17.592 1.00 1.11 C ATOM 227 O LEU A 15 -0.857 16.218 -18.548 1.00 24.25 O ATOM 228 CB LEU A 15 0.994 13.542 -17.844 1.00 3.23 C ATOM 229 CG LEU A 15 2.295 12.776 -17.602 1.00 21.34 C ATOM 230 CD1 LEU A 15 2.067 11.279 -17.744 1.00 30.12 C ATOM 231 CD2 LEU A 15 3.378 13.246 -18.562 1.00 73.21 C ATOM 0 H LEU A 15 1.694 14.903 -15.716 1.00 55.31 H new ATOM 0 HA LEU A 15 1.547 15.473 -18.610 1.00 12.24 H new ATOM 0 HB2 LEU A 15 0.245 13.178 -17.140 1.00 3.23 H new ATOM 0 HB3 LEU A 15 0.635 13.301 -18.844 1.00 3.23 H new ATOM 0 HG LEU A 15 2.628 12.977 -16.584 1.00 21.34 H new ATOM 0 HD11 LEU A 15 3.004 10.750 -17.568 1.00 30.12 H new ATOM 0 HD12 LEU A 15 1.324 10.953 -17.016 1.00 30.12 H new ATOM 0 HD13 LEU A 15 1.709 11.059 -18.750 1.00 30.12 H new ATOM 0 HD21 LEU A 15 4.296 12.690 -18.375 1.00 73.21 H new ATOM 0 HD22 LEU A 15 3.053 13.076 -19.588 1.00 73.21 H new ATOM 0 HD23 LEU A 15 3.561 14.310 -18.411 1.00 73.21 H new ATOM 243 N ASP A 16 -0.915 15.519 -16.410 1.00 3.43 N ATOM 244 CA ASP A 16 -2.253 16.041 -16.161 1.00 15.25 C ATOM 245 C ASP A 16 -3.265 15.424 -17.121 1.00 61.41 C ATOM 246 O ASP A 16 -4.340 15.978 -17.347 1.00 0.21 O ATOM 247 CB ASP A 16 -2.264 17.564 -16.299 1.00 12.41 C ATOM 248 CG ASP A 16 -1.462 18.250 -15.211 1.00 10.34 C ATOM 249 OD1 ASP A 16 -1.323 17.664 -14.116 1.00 54.23 O ATOM 250 OD2 ASP A 16 -0.972 19.373 -15.453 1.00 70.33 O ATOM 0 H ASP A 16 -0.488 15.053 -15.609 1.00 3.43 H new ATOM 0 HA ASP A 16 -2.536 15.774 -15.143 1.00 15.25 H new ATOM 0 HB2 ASP A 16 -1.860 17.840 -17.273 1.00 12.41 H new ATOM 0 HB3 ASP A 16 -3.293 17.921 -16.268 1.00 12.41 H new ATOM 255 N ALA A 17 -2.912 14.273 -17.685 1.00 21.14 N ATOM 256 CA ALA A 17 -3.789 13.580 -18.620 1.00 21.30 C ATOM 257 C ALA A 17 -4.563 12.465 -17.924 1.00 1.31 C ATOM 258 O ALA A 17 -5.793 12.466 -17.912 1.00 53.04 O ATOM 259 CB ALA A 17 -2.983 13.019 -19.782 1.00 70.23 C ATOM 0 H ALA A 17 -2.025 13.801 -17.510 1.00 21.14 H new ATOM 0 HA ALA A 17 -4.510 14.301 -19.006 1.00 21.30 H new ATOM 0 HB1 ALA A 17 -3.651 12.504 -20.473 1.00 70.23 H new ATOM 0 HB2 ALA A 17 -2.480 13.834 -20.303 1.00 70.23 H new ATOM 0 HB3 ALA A 17 -2.240 12.317 -19.404 1.00 70.23 H new ATOM 265 N GLU A 18 -3.833 11.516 -17.345 1.00 54.35 N ATOM 266 CA GLU A 18 -4.453 10.395 -16.649 1.00 13.32 C ATOM 267 C GLU A 18 -4.766 10.760 -15.201 1.00 0.55 C ATOM 268 O GLU A 18 -5.881 10.551 -14.723 1.00 12.53 O ATOM 269 CB GLU A 18 -3.537 9.170 -16.691 1.00 54.31 C ATOM 270 CG GLU A 18 -3.947 8.070 -15.726 1.00 51.42 C ATOM 271 CD GLU A 18 -5.375 7.608 -15.941 1.00 13.22 C ATOM 272 OE1 GLU A 18 -5.928 7.876 -17.029 1.00 25.34 O ATOM 273 OE2 GLU A 18 -5.941 6.980 -15.022 1.00 24.22 O ATOM 0 H GLU A 18 -2.813 11.502 -17.344 1.00 54.35 H new ATOM 0 HA GLU A 18 -5.388 10.158 -17.156 1.00 13.32 H new ATOM 0 HB2 GLU A 18 -3.528 8.768 -17.704 1.00 54.31 H new ATOM 0 HB3 GLU A 18 -2.518 9.481 -16.462 1.00 54.31 H new ATOM 0 HG2 GLU A 18 -3.273 7.221 -15.841 1.00 51.42 H new ATOM 0 HG3 GLU A 18 -3.835 8.429 -14.703 1.00 51.42 H new ATOM 280 N PHE A 19 -3.773 11.307 -14.507 1.00 21.22 N ATOM 281 CA PHE A 19 -3.940 11.700 -13.113 1.00 13.15 C ATOM 282 C PHE A 19 -5.047 12.741 -12.970 1.00 70.21 C ATOM 283 O PHE A 19 -5.960 12.585 -12.160 1.00 20.42 O ATOM 284 CB PHE A 19 -2.628 12.256 -12.556 1.00 63.41 C ATOM 285 CG PHE A 19 -1.929 11.314 -11.617 1.00 44.42 C ATOM 286 CD1 PHE A 19 -1.581 11.721 -10.339 1.00 44.22 C ATOM 287 CD2 PHE A 19 -1.619 10.023 -12.013 1.00 11.12 C ATOM 288 CE1 PHE A 19 -0.938 10.858 -9.473 1.00 25.55 C ATOM 289 CE2 PHE A 19 -0.977 9.155 -11.150 1.00 63.04 C ATOM 290 CZ PHE A 19 -0.634 9.573 -9.879 1.00 53.02 C ATOM 0 H PHE A 19 -2.844 11.488 -14.888 1.00 21.22 H new ATOM 0 HA PHE A 19 -4.222 10.814 -12.544 1.00 13.15 H new ATOM 0 HB2 PHE A 19 -1.961 12.491 -13.385 1.00 63.41 H new ATOM 0 HB3 PHE A 19 -2.831 13.192 -12.035 1.00 63.41 H new ATOM 0 HD1 PHE A 19 -1.815 12.725 -10.016 1.00 44.22 H new ATOM 0 HD2 PHE A 19 -1.882 9.691 -13.007 1.00 11.12 H new ATOM 0 HE1 PHE A 19 -0.673 11.188 -8.479 1.00 25.55 H new ATOM 0 HE2 PHE A 19 -0.744 8.150 -11.469 1.00 63.04 H new ATOM 0 HZ PHE A 19 -0.130 8.897 -9.204 1.00 53.02 H new ATOM 300 N ALA A 20 -4.958 13.803 -13.763 1.00 44.34 N ATOM 301 CA ALA A 20 -5.951 14.869 -13.727 1.00 50.35 C ATOM 302 C ALA A 20 -7.363 14.308 -13.852 1.00 74.10 C ATOM 303 O ALA A 20 -8.330 14.925 -13.403 1.00 62.41 O ATOM 304 CB ALA A 20 -5.683 15.878 -14.834 1.00 44.41 C ATOM 0 H ALA A 20 -4.208 13.948 -14.439 1.00 44.34 H new ATOM 0 HA ALA A 20 -5.872 15.373 -12.764 1.00 50.35 H new ATOM 0 HB1 ALA A 20 -6.432 16.669 -14.795 1.00 44.41 H new ATOM 0 HB2 ALA A 20 -4.692 16.311 -14.700 1.00 44.41 H new ATOM 0 HB3 ALA A 20 -5.733 15.378 -15.801 1.00 44.41 H new ATOM 310 N LYS A 21 -7.477 13.135 -14.465 1.00 63.50 N ATOM 311 CA LYS A 21 -8.771 12.489 -14.649 1.00 21.42 C ATOM 312 C LYS A 21 -9.153 11.675 -13.416 1.00 41.23 C ATOM 313 O LYS A 21 -10.334 11.471 -13.136 1.00 72.31 O ATOM 314 CB LYS A 21 -8.741 11.583 -15.882 1.00 32.42 C ATOM 315 CG LYS A 21 -9.137 12.290 -17.166 1.00 53.12 C ATOM 316 CD LYS A 21 -10.621 12.135 -17.454 1.00 33.15 C ATOM 317 CE LYS A 21 -10.883 11.926 -18.937 1.00 62.12 C ATOM 318 NZ LYS A 21 -11.635 10.667 -19.196 1.00 23.20 N ATOM 0 H LYS A 21 -6.688 12.612 -14.843 1.00 63.50 H new ATOM 0 HA LYS A 21 -9.520 13.267 -14.796 1.00 21.42 H new ATOM 0 HB2 LYS A 21 -7.737 11.174 -15.997 1.00 32.42 H new ATOM 0 HB3 LYS A 21 -9.412 10.740 -15.719 1.00 32.42 H new ATOM 0 HG2 LYS A 21 -8.889 13.349 -17.091 1.00 53.12 H new ATOM 0 HG3 LYS A 21 -8.560 11.886 -17.998 1.00 53.12 H new ATOM 0 HD2 LYS A 21 -11.015 11.289 -16.891 1.00 33.15 H new ATOM 0 HD3 LYS A 21 -11.154 13.022 -17.111 1.00 33.15 H new ATOM 0 HE2 LYS A 21 -11.447 12.773 -19.329 1.00 62.12 H new ATOM 0 HE3 LYS A 21 -9.934 11.899 -19.473 1.00 62.12 H new ATOM 0 HZ1 LYS A 21 -11.793 10.561 -20.218 1.00 23.20 H new ATOM 0 HZ2 LYS A 21 -11.086 9.856 -18.845 1.00 23.20 H new ATOM 0 HZ3 LYS A 21 -12.551 10.703 -18.706 1.00 23.20 H new ATOM 332 N LYS A 22 -8.146 11.214 -12.682 1.00 11.21 N ATOM 333 CA LYS A 22 -8.376 10.425 -11.477 1.00 44.43 C ATOM 334 C LYS A 22 -9.144 11.233 -10.436 1.00 41.12 C ATOM 335 O LYS A 22 -10.129 10.758 -9.872 1.00 22.14 O ATOM 336 CB LYS A 22 -7.043 9.953 -10.891 1.00 14.35 C ATOM 337 CG LYS A 22 -6.984 8.456 -10.644 1.00 30.22 C ATOM 338 CD LYS A 22 -7.827 8.054 -9.445 1.00 52.31 C ATOM 339 CE LYS A 22 -7.530 6.628 -9.007 1.00 50.41 C ATOM 340 NZ LYS A 22 -7.829 6.418 -7.563 1.00 62.15 N ATOM 0 H LYS A 22 -7.162 11.373 -12.900 1.00 11.21 H new ATOM 0 HA LYS A 22 -8.975 9.556 -11.750 1.00 44.43 H new ATOM 0 HB2 LYS A 22 -6.238 10.233 -11.570 1.00 14.35 H new ATOM 0 HB3 LYS A 22 -6.863 10.475 -9.951 1.00 14.35 H new ATOM 0 HG2 LYS A 22 -7.334 7.926 -11.530 1.00 30.22 H new ATOM 0 HG3 LYS A 22 -5.950 8.154 -10.480 1.00 30.22 H new ATOM 0 HD2 LYS A 22 -7.634 8.737 -8.618 1.00 52.31 H new ATOM 0 HD3 LYS A 22 -8.884 8.146 -9.695 1.00 52.31 H new ATOM 0 HE2 LYS A 22 -8.121 5.934 -9.605 1.00 50.41 H new ATOM 0 HE3 LYS A 22 -6.481 6.400 -9.198 1.00 50.41 H new ATOM 0 HZ1 LYS A 22 -7.006 5.984 -7.098 1.00 62.15 H new ATOM 0 HZ2 LYS A 22 -8.037 7.333 -7.115 1.00 62.15 H new ATOM 0 HZ3 LYS A 22 -8.653 5.790 -7.467 1.00 62.15 H new ATOM 354 N MET A 23 -8.688 12.457 -10.188 1.00 63.52 N ATOM 355 CA MET A 23 -9.335 13.331 -9.217 1.00 23.33 C ATOM 356 C MET A 23 -10.709 13.771 -9.712 1.00 23.11 C ATOM 357 O MET A 23 -11.590 14.095 -8.916 1.00 62.05 O ATOM 358 CB MET A 23 -8.462 14.557 -8.941 1.00 71.32 C ATOM 359 CG MET A 23 -7.837 14.559 -7.556 1.00 20.34 C ATOM 360 SD MET A 23 -9.058 14.753 -6.243 1.00 41.31 S ATOM 361 CE MET A 23 -8.753 13.277 -5.275 1.00 43.43 C ATOM 0 H MET A 23 -7.873 12.865 -10.646 1.00 63.52 H new ATOM 0 HA MET A 23 -9.465 12.771 -8.291 1.00 23.33 H new ATOM 0 HB2 MET A 23 -7.670 14.604 -9.688 1.00 71.32 H new ATOM 0 HB3 MET A 23 -9.066 15.457 -9.059 1.00 71.32 H new ATOM 0 HG2 MET A 23 -7.293 13.627 -7.406 1.00 20.34 H new ATOM 0 HG3 MET A 23 -7.108 15.367 -7.492 1.00 20.34 H new ATOM 0 HE1 MET A 23 -9.433 13.253 -4.424 1.00 43.43 H new ATOM 0 HE2 MET A 23 -8.916 12.395 -5.895 1.00 43.43 H new ATOM 0 HE3 MET A 23 -7.724 13.283 -4.917 1.00 43.43 H new ATOM 371 N GLU A 24 -10.883 13.780 -11.030 1.00 11.03 N ATOM 372 CA GLU A 24 -12.150 14.182 -11.629 1.00 72.12 C ATOM 373 C GLU A 24 -13.131 13.013 -11.663 1.00 42.25 C ATOM 374 O GLU A 24 -14.340 13.208 -11.784 1.00 43.13 O ATOM 375 CB GLU A 24 -11.924 14.714 -13.046 1.00 23.41 C ATOM 376 CG GLU A 24 -13.170 15.309 -13.679 1.00 1.30 C ATOM 377 CD GLU A 24 -13.735 14.440 -14.785 1.00 60.51 C ATOM 378 OE1 GLU A 24 -14.918 14.051 -14.688 1.00 12.51 O ATOM 379 OE2 GLU A 24 -12.995 14.147 -15.747 1.00 61.22 O ATOM 0 H GLU A 24 -10.164 13.514 -11.702 1.00 11.03 H new ATOM 0 HA GLU A 24 -12.577 14.975 -11.015 1.00 72.12 H new ATOM 0 HB2 GLU A 24 -11.142 15.473 -13.019 1.00 23.41 H new ATOM 0 HB3 GLU A 24 -11.559 13.903 -13.676 1.00 23.41 H new ATOM 0 HG2 GLU A 24 -13.930 15.452 -12.911 1.00 1.30 H new ATOM 0 HG3 GLU A 24 -12.933 16.294 -14.081 1.00 1.30 H new ATOM 386 N GLU A 25 -12.600 11.799 -11.557 1.00 4.21 N ATOM 387 CA GLU A 25 -13.428 10.599 -11.577 1.00 42.32 C ATOM 388 C GLU A 25 -14.113 10.388 -10.230 1.00 53.42 C ATOM 389 O GLU A 25 -14.857 9.425 -10.045 1.00 43.33 O ATOM 390 CB GLU A 25 -12.581 9.374 -11.928 1.00 40.11 C ATOM 391 CG GLU A 25 -11.973 8.687 -10.717 1.00 13.02 C ATOM 392 CD GLU A 25 -12.784 7.491 -10.257 1.00 11.25 C ATOM 393 OE1 GLU A 25 -13.256 7.505 -9.100 1.00 63.31 O ATOM 394 OE2 GLU A 25 -12.947 6.542 -11.052 1.00 1.43 O ATOM 0 H GLU A 25 -11.601 11.621 -11.456 1.00 4.21 H new ATOM 0 HA GLU A 25 -14.196 10.731 -12.339 1.00 42.32 H new ATOM 0 HB2 GLU A 25 -13.200 8.658 -12.469 1.00 40.11 H new ATOM 0 HB3 GLU A 25 -11.781 9.677 -12.603 1.00 40.11 H new ATOM 0 HG2 GLU A 25 -10.960 8.364 -10.958 1.00 13.02 H new ATOM 0 HG3 GLU A 25 -11.893 9.403 -9.899 1.00 13.02 H new ATOM 401 N GLN A 26 -13.856 11.296 -9.294 1.00 35.02 N ATOM 402 CA GLN A 26 -14.448 11.209 -7.964 1.00 25.33 C ATOM 403 C GLN A 26 -15.949 10.954 -8.051 1.00 24.53 C ATOM 404 O GLN A 26 -16.486 10.104 -7.341 1.00 44.11 O ATOM 405 CB GLN A 26 -14.181 12.495 -7.179 1.00 34.50 C ATOM 406 CG GLN A 26 -13.927 12.262 -5.698 1.00 43.04 C ATOM 407 CD GLN A 26 -14.847 13.078 -4.813 1.00 13.23 C ATOM 408 OE1 GLN A 26 -14.751 14.305 -4.760 1.00 60.44 O ATOM 409 NE2 GLN A 26 -15.747 12.400 -4.110 1.00 54.30 N ATOM 0 H GLN A 26 -13.243 12.099 -9.432 1.00 35.02 H new ATOM 0 HA GLN A 26 -13.986 10.371 -7.442 1.00 25.33 H new ATOM 0 HB2 GLN A 26 -13.319 13.003 -7.612 1.00 34.50 H new ATOM 0 HB3 GLN A 26 -15.034 13.164 -7.292 1.00 34.50 H new ATOM 0 HG2 GLN A 26 -14.057 11.203 -5.473 1.00 43.04 H new ATOM 0 HG3 GLN A 26 -12.891 12.512 -5.467 1.00 43.04 H new ATOM 0 HE21 GLN A 26 -15.792 11.384 -4.184 1.00 54.30 H new ATOM 0 HE22 GLN A 26 -16.393 12.896 -3.496 1.00 54.30 H new ATOM 418 N ASN A 27 -16.620 11.695 -8.925 1.00 53.43 N ATOM 419 CA ASN A 27 -18.060 11.550 -9.104 1.00 73.13 C ATOM 420 C ASN A 27 -18.421 10.113 -9.469 1.00 43.15 C ATOM 421 O ASN A 27 -19.456 9.595 -9.051 1.00 12.12 O ATOM 422 CB ASN A 27 -18.559 12.505 -10.191 1.00 32.41 C ATOM 423 CG ASN A 27 -20.024 12.290 -10.522 1.00 25.44 C ATOM 424 OD1 ASN A 27 -20.359 11.638 -11.511 1.00 22.13 O ATOM 425 ND2 ASN A 27 -20.904 12.839 -9.693 1.00 22.54 N ATOM 0 H ASN A 27 -16.190 12.402 -9.521 1.00 53.43 H new ATOM 0 HA ASN A 27 -18.545 11.799 -8.160 1.00 73.13 H new ATOM 0 HB2 ASN A 27 -18.411 13.534 -9.863 1.00 32.41 H new ATOM 0 HB3 ASN A 27 -17.962 12.369 -11.093 1.00 32.41 H new ATOM 0 HD21 ASN A 27 -21.903 12.728 -9.864 1.00 22.54 H new ATOM 0 HD22 ASN A 27 -20.581 13.371 -8.885 1.00 22.54 H new ATOM 432 N LYS A 28 -17.559 9.474 -10.253 1.00 24.54 N ATOM 433 CA LYS A 28 -17.783 8.096 -10.674 1.00 32.23 C ATOM 434 C LYS A 28 -17.309 7.116 -9.605 1.00 42.11 C ATOM 435 O LYS A 28 -17.670 5.939 -9.624 1.00 52.33 O ATOM 436 CB LYS A 28 -17.058 7.819 -11.992 1.00 43.14 C ATOM 437 CG LYS A 28 -17.169 8.953 -12.997 1.00 73.54 C ATOM 438 CD LYS A 28 -17.005 8.452 -14.423 1.00 3.23 C ATOM 439 CE LYS A 28 -17.903 9.212 -15.387 1.00 62.32 C ATOM 440 NZ LYS A 28 -17.396 9.145 -16.786 1.00 11.20 N ATOM 0 H LYS A 28 -16.698 9.889 -10.610 1.00 24.54 H new ATOM 0 HA LYS A 28 -18.854 7.957 -10.820 1.00 32.23 H new ATOM 0 HB2 LYS A 28 -16.005 7.630 -11.785 1.00 43.14 H new ATOM 0 HB3 LYS A 28 -17.464 6.910 -12.436 1.00 43.14 H new ATOM 0 HG2 LYS A 28 -18.138 9.441 -12.891 1.00 73.54 H new ATOM 0 HG3 LYS A 28 -16.409 9.705 -12.785 1.00 73.54 H new ATOM 0 HD2 LYS A 28 -15.965 8.560 -14.731 1.00 3.23 H new ATOM 0 HD3 LYS A 28 -17.241 7.389 -14.466 1.00 3.23 H new ATOM 0 HE2 LYS A 28 -18.911 8.800 -15.346 1.00 62.32 H new ATOM 0 HE3 LYS A 28 -17.972 10.254 -15.075 1.00 62.32 H new ATOM 0 HZ1 LYS A 28 -18.035 9.675 -17.413 1.00 11.20 H new ATOM 0 HZ2 LYS A 28 -16.444 9.561 -16.831 1.00 11.20 H new ATOM 0 HZ3 LYS A 28 -17.355 8.152 -17.093 1.00 11.20 H new ATOM 454 N ARG A 29 -16.499 7.610 -8.674 1.00 32.52 N ATOM 455 CA ARG A 29 -15.976 6.777 -7.597 1.00 52.22 C ATOM 456 C ARG A 29 -17.104 6.030 -6.891 1.00 63.20 C ATOM 457 O ARG A 29 -16.877 5.000 -6.255 1.00 12.31 O ATOM 458 CB ARG A 29 -15.208 7.634 -6.589 1.00 62.40 C ATOM 459 CG ARG A 29 -14.287 6.831 -5.685 1.00 20.23 C ATOM 460 CD ARG A 29 -13.621 7.715 -4.642 1.00 65.23 C ATOM 461 NE ARG A 29 -13.466 7.030 -3.362 1.00 24.32 N ATOM 462 CZ ARG A 29 -14.483 6.720 -2.566 1.00 74.44 C ATOM 463 NH1 ARG A 29 -15.723 7.032 -2.918 1.00 70.54 N ATOM 464 NH2 ARG A 29 -14.262 6.096 -1.416 1.00 70.35 N ATOM 0 H ARG A 29 -16.191 8.582 -8.644 1.00 32.52 H new ATOM 0 HA ARG A 29 -15.297 6.045 -8.034 1.00 52.22 H new ATOM 0 HB2 ARG A 29 -14.618 8.375 -7.129 1.00 62.40 H new ATOM 0 HB3 ARG A 29 -15.921 8.182 -5.973 1.00 62.40 H new ATOM 0 HG2 ARG A 29 -14.857 6.046 -5.188 1.00 20.23 H new ATOM 0 HG3 ARG A 29 -13.524 6.338 -6.287 1.00 20.23 H new ATOM 0 HD2 ARG A 29 -12.643 8.030 -5.005 1.00 65.23 H new ATOM 0 HD3 ARG A 29 -14.214 8.618 -4.500 1.00 65.23 H new ATOM 0 HE ARG A 29 -12.525 6.775 -3.063 1.00 24.32 H new ATOM 0 HH11 ARG A 29 -15.897 7.511 -3.802 1.00 70.54 H new ATOM 0 HH12 ARG A 29 -16.503 6.793 -2.305 1.00 70.54 H new ATOM 0 HH21 ARG A 29 -13.310 5.854 -1.142 1.00 70.35 H new ATOM 0 HH22 ARG A 29 -15.044 5.859 -0.806 1.00 70.35 H new ATOM 478 N PHE A 30 -18.319 6.555 -7.007 1.00 43.52 N ATOM 479 CA PHE A 30 -19.481 5.939 -6.379 1.00 15.31 C ATOM 480 C PHE A 30 -19.944 4.719 -7.169 1.00 61.24 C ATOM 481 O PHE A 30 -20.197 3.656 -6.601 1.00 1.41 O ATOM 482 CB PHE A 30 -20.624 6.951 -6.267 1.00 44.44 C ATOM 483 CG PHE A 30 -21.915 6.348 -5.795 1.00 33.01 C ATOM 484 CD1 PHE A 30 -22.843 5.865 -6.704 1.00 22.54 C ATOM 485 CD2 PHE A 30 -22.202 6.265 -4.442 1.00 33.32 C ATOM 486 CE1 PHE A 30 -24.032 5.308 -6.272 1.00 53.21 C ATOM 487 CE2 PHE A 30 -23.390 5.709 -4.005 1.00 2.15 C ATOM 488 CZ PHE A 30 -24.306 5.231 -4.921 1.00 14.53 C ATOM 0 H PHE A 30 -18.524 7.406 -7.530 1.00 43.52 H new ATOM 0 HA PHE A 30 -19.192 5.615 -5.379 1.00 15.31 H new ATOM 0 HB2 PHE A 30 -20.330 7.744 -5.579 1.00 44.44 H new ATOM 0 HB3 PHE A 30 -20.784 7.416 -7.240 1.00 44.44 H new ATOM 0 HD1 PHE A 30 -22.635 5.925 -7.762 1.00 22.54 H new ATOM 0 HD2 PHE A 30 -21.490 6.639 -3.721 1.00 33.32 H new ATOM 0 HE1 PHE A 30 -24.746 4.933 -6.991 1.00 53.21 H new ATOM 0 HE2 PHE A 30 -23.601 5.649 -2.948 1.00 2.15 H new ATOM 0 HZ PHE A 30 -25.235 4.798 -4.581 1.00 14.53 H new ATOM 498 N PHE A 31 -20.053 4.879 -8.484 1.00 44.21 N ATOM 499 CA PHE A 31 -20.486 3.792 -9.354 1.00 30.23 C ATOM 500 C PHE A 31 -19.361 2.783 -9.565 1.00 21.11 C ATOM 501 O PHE A 31 -19.608 1.613 -9.856 1.00 14.14 O ATOM 502 CB PHE A 31 -20.951 4.344 -10.703 1.00 32.13 C ATOM 503 CG PHE A 31 -21.682 3.336 -11.543 1.00 12.00 C ATOM 504 CD1 PHE A 31 -21.174 2.938 -12.769 1.00 33.40 C ATOM 505 CD2 PHE A 31 -22.878 2.787 -11.107 1.00 5.40 C ATOM 506 CE1 PHE A 31 -21.844 2.010 -13.545 1.00 12.15 C ATOM 507 CE2 PHE A 31 -23.552 1.859 -11.878 1.00 5.31 C ATOM 508 CZ PHE A 31 -23.035 1.471 -13.099 1.00 0.13 C ATOM 0 H PHE A 31 -19.847 5.752 -8.970 1.00 44.21 H new ATOM 0 HA PHE A 31 -21.320 3.284 -8.870 1.00 30.23 H new ATOM 0 HB2 PHE A 31 -21.601 5.202 -10.531 1.00 32.13 H new ATOM 0 HB3 PHE A 31 -20.085 4.707 -11.256 1.00 32.13 H new ATOM 0 HD1 PHE A 31 -20.244 3.357 -13.123 1.00 33.40 H new ATOM 0 HD2 PHE A 31 -23.288 3.088 -10.154 1.00 5.40 H new ATOM 0 HE1 PHE A 31 -21.437 1.707 -14.498 1.00 12.15 H new ATOM 0 HE2 PHE A 31 -24.482 1.437 -11.526 1.00 5.31 H new ATOM 0 HZ PHE A 31 -23.561 0.747 -13.704 1.00 0.13 H new ATOM 518 N ALA A 32 -18.124 3.246 -9.417 1.00 61.31 N ATOM 519 CA ALA A 32 -16.960 2.385 -9.590 1.00 75.30 C ATOM 520 C ALA A 32 -16.308 2.068 -8.249 1.00 20.33 C ATOM 521 O ALA A 32 -15.209 1.515 -8.197 1.00 73.54 O ATOM 522 CB ALA A 32 -15.955 3.038 -10.527 1.00 31.21 C ATOM 0 H ALA A 32 -17.902 4.212 -9.178 1.00 61.31 H new ATOM 0 HA ALA A 32 -17.295 1.447 -10.032 1.00 75.30 H new ATOM 0 HB1 ALA A 32 -15.091 2.384 -10.647 1.00 31.21 H new ATOM 0 HB2 ALA A 32 -16.420 3.207 -11.498 1.00 31.21 H new ATOM 0 HB3 ALA A 32 -15.633 3.991 -10.108 1.00 31.21 H new ATOM 528 N ASP A 33 -16.991 2.422 -7.166 1.00 23.13 N ATOM 529 CA ASP A 33 -16.477 2.175 -5.823 1.00 73.43 C ATOM 530 C ASP A 33 -16.155 0.696 -5.629 1.00 5.43 C ATOM 531 O ASP A 33 -15.373 0.331 -4.750 1.00 72.43 O ATOM 532 CB ASP A 33 -17.492 2.630 -4.774 1.00 15.21 C ATOM 533 CG ASP A 33 -16.833 3.288 -3.578 1.00 30.45 C ATOM 534 OD1 ASP A 33 -15.857 2.715 -3.049 1.00 44.40 O ATOM 535 OD2 ASP A 33 -17.293 4.375 -3.170 1.00 63.32 O ATOM 0 H ASP A 33 -17.902 2.881 -7.191 1.00 23.13 H new ATOM 0 HA ASP A 33 -15.558 2.748 -5.701 1.00 73.43 H new ATOM 0 HB2 ASP A 33 -18.192 3.330 -5.230 1.00 15.21 H new ATOM 0 HB3 ASP A 33 -18.073 1.771 -4.438 1.00 15.21 H new ATOM 540 N LYS A 34 -16.762 -0.150 -6.453 1.00 70.03 N ATOM 541 CA LYS A 34 -16.540 -1.589 -6.373 1.00 52.13 C ATOM 542 C LYS A 34 -15.049 -1.908 -6.335 1.00 72.30 C ATOM 543 O LYS A 34 -14.209 -1.116 -6.761 1.00 41.32 O ATOM 544 CB LYS A 34 -17.193 -2.293 -7.565 1.00 31.42 C ATOM 545 CG LYS A 34 -16.979 -1.577 -8.887 1.00 14.32 C ATOM 546 CD LYS A 34 -16.580 -2.545 -9.988 1.00 5.34 C ATOM 547 CE LYS A 34 -16.338 -1.823 -11.304 1.00 53.44 C ATOM 548 NZ LYS A 34 -16.769 -2.640 -12.472 1.00 41.03 N ATOM 0 H LYS A 34 -17.412 0.136 -7.185 1.00 70.03 H new ATOM 0 HA LYS A 34 -16.995 -1.951 -5.451 1.00 52.13 H new ATOM 0 HB2 LYS A 34 -16.795 -3.305 -7.641 1.00 31.42 H new ATOM 0 HB3 LYS A 34 -18.263 -2.385 -7.380 1.00 31.42 H new ATOM 0 HG2 LYS A 34 -17.894 -1.057 -9.172 1.00 14.32 H new ATOM 0 HG3 LYS A 34 -16.205 -0.819 -8.770 1.00 14.32 H new ATOM 0 HD2 LYS A 34 -15.677 -3.080 -9.694 1.00 5.34 H new ATOM 0 HD3 LYS A 34 -17.364 -3.291 -10.120 1.00 5.34 H new ATOM 0 HE2 LYS A 34 -16.878 -0.876 -11.304 1.00 53.44 H new ATOM 0 HE3 LYS A 34 -15.278 -1.585 -11.398 1.00 53.44 H new ATOM 0 HZ1 LYS A 34 -16.588 -2.113 -13.350 1.00 41.03 H new ATOM 0 HZ2 LYS A 34 -16.235 -3.533 -12.487 1.00 41.03 H new ATOM 0 HZ3 LYS A 34 -17.786 -2.846 -12.396 1.00 41.03 H new ATOM 562 N PRO A 35 -14.711 -3.097 -5.814 1.00 61.11 N ATOM 563 CA PRO A 35 -13.320 -3.549 -5.710 1.00 13.10 C ATOM 564 C PRO A 35 -12.709 -3.862 -7.071 1.00 41.55 C ATOM 565 O PRO A 35 -13.420 -4.186 -8.022 1.00 55.34 O ATOM 566 CB PRO A 35 -13.423 -4.821 -4.865 1.00 60.21 C ATOM 567 CG PRO A 35 -14.809 -5.317 -5.093 1.00 53.44 C ATOM 568 CD PRO A 35 -15.660 -4.092 -5.287 1.00 10.10 C ATOM 0 HA PRO A 35 -12.674 -2.785 -5.278 1.00 13.10 H new ATOM 0 HB2 PRO A 35 -12.683 -5.560 -5.171 1.00 60.21 H new ATOM 0 HB3 PRO A 35 -13.246 -4.611 -3.810 1.00 60.21 H new ATOM 0 HG2 PRO A 35 -14.853 -5.965 -5.968 1.00 53.44 H new ATOM 0 HG3 PRO A 35 -15.158 -5.904 -4.244 1.00 53.44 H new ATOM 0 HD2 PRO A 35 -16.477 -4.277 -5.984 1.00 10.10 H new ATOM 0 HD3 PRO A 35 -16.109 -3.762 -4.350 1.00 10.10 H new ATOM 576 N ASP A 36 -11.387 -3.763 -7.158 1.00 0.41 N ATOM 577 CA ASP A 36 -10.680 -4.036 -8.403 1.00 65.44 C ATOM 578 C ASP A 36 -9.664 -5.159 -8.216 1.00 4.23 C ATOM 579 O ASP A 36 -8.652 -5.216 -8.914 1.00 74.15 O ATOM 580 CB ASP A 36 -9.976 -2.774 -8.904 1.00 14.33 C ATOM 581 CG ASP A 36 -10.876 -1.554 -8.859 1.00 4.13 C ATOM 582 OD1 ASP A 36 -10.936 -0.900 -7.796 1.00 51.23 O ATOM 583 OD2 ASP A 36 -11.518 -1.253 -9.886 1.00 52.10 O ATOM 0 H ASP A 36 -10.783 -3.496 -6.380 1.00 0.41 H new ATOM 0 HA ASP A 36 -11.413 -4.352 -9.145 1.00 65.44 H new ATOM 0 HB2 ASP A 36 -9.089 -2.591 -8.297 1.00 14.33 H new ATOM 0 HB3 ASP A 36 -9.635 -2.933 -9.927 1.00 14.33 H new ATOM 588 N GLU A 37 -9.940 -6.048 -7.267 1.00 30.11 N ATOM 589 CA GLU A 37 -9.048 -7.167 -6.987 1.00 35.42 C ATOM 590 C GLU A 37 -7.818 -6.702 -6.213 1.00 60.52 C ATOM 591 O GLU A 37 -7.549 -7.178 -5.111 1.00 24.13 O ATOM 592 CB GLU A 37 -8.619 -7.845 -8.290 1.00 13.11 C ATOM 593 CG GLU A 37 -8.559 -9.360 -8.197 1.00 73.30 C ATOM 594 CD GLU A 37 -7.405 -9.948 -8.986 1.00 11.15 C ATOM 595 OE1 GLU A 37 -7.339 -9.705 -10.209 1.00 20.50 O ATOM 596 OE2 GLU A 37 -6.569 -10.650 -8.380 1.00 44.11 O ATOM 0 H GLU A 37 -10.773 -6.015 -6.680 1.00 30.11 H new ATOM 0 HA GLU A 37 -9.591 -7.886 -6.374 1.00 35.42 H new ATOM 0 HB2 GLU A 37 -9.315 -7.565 -9.081 1.00 13.11 H new ATOM 0 HB3 GLU A 37 -7.638 -7.468 -8.580 1.00 13.11 H new ATOM 0 HG2 GLU A 37 -8.466 -9.653 -7.151 1.00 73.30 H new ATOM 0 HG3 GLU A 37 -9.496 -9.780 -8.563 1.00 73.30 H new ATOM 603 N ALA A 38 -7.075 -5.770 -6.800 1.00 63.12 N ATOM 604 CA ALA A 38 -5.874 -5.239 -6.167 1.00 31.54 C ATOM 605 C ALA A 38 -6.157 -4.802 -4.734 1.00 12.15 C ATOM 606 O ALA A 38 -5.289 -4.886 -3.864 1.00 51.21 O ATOM 607 CB ALA A 38 -5.320 -4.076 -6.976 1.00 73.21 C ATOM 0 H ALA A 38 -7.284 -5.367 -7.713 1.00 63.12 H new ATOM 0 HA ALA A 38 -5.128 -6.033 -6.137 1.00 31.54 H new ATOM 0 HB1 ALA A 38 -4.423 -3.690 -6.491 1.00 73.21 H new ATOM 0 HB2 ALA A 38 -5.071 -4.418 -7.981 1.00 73.21 H new ATOM 0 HB3 ALA A 38 -6.068 -3.286 -7.037 1.00 73.21 H new ATOM 613 N THR A 39 -7.378 -4.333 -4.493 1.00 20.42 N ATOM 614 CA THR A 39 -7.775 -3.881 -3.166 1.00 1.34 C ATOM 615 C THR A 39 -6.635 -3.142 -2.473 1.00 34.31 C ATOM 616 O THR A 39 -6.396 -3.329 -1.279 1.00 63.12 O ATOM 617 CB THR A 39 -8.221 -5.059 -2.280 1.00 70.51 C ATOM 618 OG1 THR A 39 -8.670 -4.575 -1.010 1.00 35.23 O ATOM 619 CG2 THR A 39 -7.081 -6.046 -2.078 1.00 21.11 C ATOM 0 H THR A 39 -8.109 -4.257 -5.200 1.00 20.42 H new ATOM 0 HA THR A 39 -8.616 -3.201 -3.303 1.00 1.34 H new ATOM 0 HB THR A 39 -9.041 -5.572 -2.783 1.00 70.51 H new ATOM 0 HG1 THR A 39 -7.957 -4.052 -0.588 1.00 35.23 H new ATOM 0 HG21 THR A 39 -7.420 -6.869 -1.449 1.00 21.11 H new ATOM 0 HG22 THR A 39 -6.761 -6.435 -3.045 1.00 21.11 H new ATOM 0 HG23 THR A 39 -6.244 -5.541 -1.595 1.00 21.11 H new ATOM 627 N LEU A 40 -5.936 -2.303 -3.228 1.00 5.32 N ATOM 628 CA LEU A 40 -4.820 -1.534 -2.686 1.00 32.33 C ATOM 629 C LEU A 40 -5.254 -0.735 -1.461 1.00 22.10 C ATOM 630 O LEU A 40 -6.433 -0.714 -1.107 1.00 5.32 O ATOM 631 CB LEU A 40 -4.259 -0.592 -3.751 1.00 42.45 C ATOM 632 CG LEU A 40 -5.290 0.190 -4.567 1.00 22.05 C ATOM 633 CD1 LEU A 40 -4.843 1.632 -4.750 1.00 14.11 C ATOM 634 CD2 LEU A 40 -5.518 -0.475 -5.916 1.00 32.30 C ATOM 0 H LEU A 40 -6.121 -2.137 -4.217 1.00 5.32 H new ATOM 0 HA LEU A 40 -4.041 -2.234 -2.383 1.00 32.33 H new ATOM 0 HB2 LEU A 40 -3.595 0.121 -3.263 1.00 42.45 H new ATOM 0 HB3 LEU A 40 -3.648 -1.177 -4.439 1.00 42.45 H new ATOM 0 HG LEU A 40 -6.233 0.190 -4.021 1.00 22.05 H new ATOM 0 HD11 LEU A 40 -5.589 2.173 -5.333 1.00 14.11 H new ATOM 0 HD12 LEU A 40 -4.732 2.105 -3.774 1.00 14.11 H new ATOM 0 HD13 LEU A 40 -3.888 1.653 -5.274 1.00 14.11 H new ATOM 0 HD21 LEU A 40 -6.254 0.095 -6.483 1.00 32.30 H new ATOM 0 HD22 LEU A 40 -4.579 -0.507 -6.469 1.00 32.30 H new ATOM 0 HD23 LEU A 40 -5.884 -1.490 -5.764 1.00 32.30 H new ATOM 646 N SER A 41 -4.293 -0.077 -0.819 1.00 73.44 N ATOM 647 CA SER A 41 -4.575 0.722 0.367 1.00 55.42 C ATOM 648 C SER A 41 -4.800 2.185 -0.005 1.00 5.01 C ATOM 649 O SER A 41 -4.510 2.620 -1.120 1.00 12.23 O ATOM 650 CB SER A 41 -3.425 0.610 1.369 1.00 34.43 C ATOM 651 OG SER A 41 -2.496 -0.383 0.970 1.00 33.20 O ATOM 0 H SER A 41 -3.313 -0.082 -1.101 1.00 73.44 H new ATOM 0 HA SER A 41 -5.486 0.337 0.826 1.00 55.42 H new ATOM 0 HB2 SER A 41 -2.919 1.572 1.456 1.00 34.43 H new ATOM 0 HB3 SER A 41 -3.820 0.367 2.355 1.00 34.43 H new ATOM 0 HG SER A 41 -1.770 -0.434 1.626 1.00 33.20 H new ATOM 657 N PRO A 42 -5.328 2.963 0.951 1.00 2.42 N ATOM 658 CA PRO A 42 -5.603 4.389 0.749 1.00 5.13 C ATOM 659 C PRO A 42 -4.326 5.216 0.644 1.00 2.34 C ATOM 660 O PRO A 42 -4.371 6.446 0.645 1.00 70.12 O ATOM 661 CB PRO A 42 -6.391 4.779 2.002 1.00 51.21 C ATOM 662 CG PRO A 42 -5.968 3.796 3.038 1.00 61.44 C ATOM 663 CD PRO A 42 -5.697 2.512 2.303 1.00 32.42 C ATOM 0 HA PRO A 42 -6.138 4.573 -0.182 1.00 5.13 H new ATOM 0 HB2 PRO A 42 -6.165 5.800 2.310 1.00 51.21 H new ATOM 0 HB3 PRO A 42 -7.465 4.730 1.825 1.00 51.21 H new ATOM 0 HG2 PRO A 42 -5.077 4.141 3.563 1.00 61.44 H new ATOM 0 HG3 PRO A 42 -6.747 3.660 3.788 1.00 61.44 H new ATOM 0 HD2 PRO A 42 -4.893 1.944 2.770 1.00 32.42 H new ATOM 0 HD3 PRO A 42 -6.575 1.866 2.285 1.00 32.42 H new ATOM 671 N GLU A 43 -3.189 4.533 0.554 1.00 30.05 N ATOM 672 CA GLU A 43 -1.900 5.207 0.449 1.00 20.54 C ATOM 673 C GLU A 43 -1.901 6.207 -0.703 1.00 71.21 C ATOM 674 O GLU A 43 -1.151 7.182 -0.693 1.00 11.33 O ATOM 675 CB GLU A 43 -0.780 4.183 0.250 1.00 3.51 C ATOM 676 CG GLU A 43 -0.394 3.979 -1.205 1.00 71.13 C ATOM 677 CD GLU A 43 0.638 4.983 -1.682 1.00 75.21 C ATOM 678 OE1 GLU A 43 0.476 5.512 -2.802 1.00 20.02 O ATOM 679 OE2 GLU A 43 1.606 5.239 -0.937 1.00 32.05 O ATOM 0 H GLU A 43 -3.134 3.514 0.552 1.00 30.05 H new ATOM 0 HA GLU A 43 -1.726 5.750 1.378 1.00 20.54 H new ATOM 0 HB2 GLU A 43 0.099 4.505 0.809 1.00 3.51 H new ATOM 0 HB3 GLU A 43 -1.093 3.228 0.671 1.00 3.51 H new ATOM 0 HG2 GLU A 43 -0.001 2.971 -1.335 1.00 71.13 H new ATOM 0 HG3 GLU A 43 -1.285 4.056 -1.828 1.00 71.13 H new ATOM 686 N MET A 44 -2.749 5.956 -1.696 1.00 24.14 N ATOM 687 CA MET A 44 -2.848 6.834 -2.855 1.00 51.44 C ATOM 688 C MET A 44 -3.685 8.068 -2.533 1.00 34.03 C ATOM 689 O MET A 44 -3.471 9.142 -3.096 1.00 24.42 O ATOM 690 CB MET A 44 -3.460 6.084 -4.040 1.00 32.34 C ATOM 691 CG MET A 44 -4.787 5.417 -3.716 1.00 33.20 C ATOM 692 SD MET A 44 -5.756 5.045 -5.191 1.00 3.12 S ATOM 693 CE MET A 44 -7.402 4.933 -4.495 1.00 74.01 C ATOM 0 H MET A 44 -3.377 5.152 -1.720 1.00 24.14 H new ATOM 0 HA MET A 44 -1.842 7.158 -3.120 1.00 51.44 H new ATOM 0 HB2 MET A 44 -3.605 6.781 -4.865 1.00 32.34 H new ATOM 0 HB3 MET A 44 -2.756 5.326 -4.383 1.00 32.34 H new ATOM 0 HG2 MET A 44 -4.601 4.494 -3.166 1.00 33.20 H new ATOM 0 HG3 MET A 44 -5.366 6.068 -3.060 1.00 33.20 H new ATOM 0 HE1 MET A 44 -8.117 4.707 -5.286 1.00 74.01 H new ATOM 0 HE2 MET A 44 -7.427 4.142 -3.746 1.00 74.01 H new ATOM 0 HE3 MET A 44 -7.665 5.882 -4.029 1.00 74.01 H new ATOM 703 N LYS A 45 -4.641 7.908 -1.623 1.00 62.23 N ATOM 704 CA LYS A 45 -5.510 9.008 -1.224 1.00 54.14 C ATOM 705 C LYS A 45 -4.725 10.077 -0.471 1.00 62.13 C ATOM 706 O LYS A 45 -5.126 11.239 -0.429 1.00 44.50 O ATOM 707 CB LYS A 45 -6.654 8.490 -0.350 1.00 75.10 C ATOM 708 CG LYS A 45 -7.664 9.560 0.028 1.00 71.14 C ATOM 709 CD LYS A 45 -9.049 9.233 -0.505 1.00 31.42 C ATOM 710 CE LYS A 45 -10.043 10.340 -0.191 1.00 11.30 C ATOM 711 NZ LYS A 45 -11.435 9.822 -0.082 1.00 41.11 N ATOM 0 H LYS A 45 -4.833 7.026 -1.148 1.00 62.23 H new ATOM 0 HA LYS A 45 -5.925 9.456 -2.127 1.00 54.14 H new ATOM 0 HB2 LYS A 45 -7.168 7.687 -0.878 1.00 75.10 H new ATOM 0 HB3 LYS A 45 -6.238 8.058 0.560 1.00 75.10 H new ATOM 0 HG2 LYS A 45 -7.704 9.657 1.113 1.00 71.14 H new ATOM 0 HG3 LYS A 45 -7.340 10.523 -0.366 1.00 71.14 H new ATOM 0 HD2 LYS A 45 -8.999 9.083 -1.583 1.00 31.42 H new ATOM 0 HD3 LYS A 45 -9.396 8.296 -0.069 1.00 31.42 H new ATOM 0 HE2 LYS A 45 -9.762 10.826 0.744 1.00 11.30 H new ATOM 0 HE3 LYS A 45 -9.998 11.100 -0.971 1.00 11.30 H new ATOM 0 HZ1 LYS A 45 -12.082 10.607 0.133 1.00 41.11 H new ATOM 0 HZ2 LYS A 45 -11.713 9.381 -0.982 1.00 41.11 H new ATOM 0 HZ3 LYS A 45 -11.484 9.115 0.679 1.00 41.11 H new ATOM 725 N GLU A 46 -3.604 9.675 0.120 1.00 32.32 N ATOM 726 CA GLU A 46 -2.763 10.600 0.871 1.00 71.42 C ATOM 727 C GLU A 46 -1.801 11.335 -0.057 1.00 42.42 C ATOM 728 O GLU A 46 -1.497 12.511 0.150 1.00 21.44 O ATOM 729 CB GLU A 46 -1.977 9.849 1.948 1.00 42.41 C ATOM 730 CG GLU A 46 -2.477 10.109 3.359 1.00 52.12 C ATOM 731 CD GLU A 46 -1.700 9.334 4.405 1.00 13.13 C ATOM 732 OE1 GLU A 46 -0.546 8.950 4.123 1.00 70.15 O ATOM 733 OE2 GLU A 46 -2.246 9.112 5.506 1.00 21.51 O ATOM 0 H GLU A 46 -3.258 8.716 0.093 1.00 32.32 H new ATOM 0 HA GLU A 46 -3.411 11.334 1.350 1.00 71.42 H new ATOM 0 HB2 GLU A 46 -2.029 8.779 1.744 1.00 42.41 H new ATOM 0 HB3 GLU A 46 -0.927 10.135 1.885 1.00 42.41 H new ATOM 0 HG2 GLU A 46 -2.406 11.175 3.575 1.00 52.12 H new ATOM 0 HG3 GLU A 46 -3.532 9.840 3.422 1.00 52.12 H new ATOM 740 N HIS A 47 -1.324 10.635 -1.082 1.00 11.14 N ATOM 741 CA HIS A 47 -0.396 11.221 -2.042 1.00 40.03 C ATOM 742 C HIS A 47 -1.141 12.061 -3.075 1.00 75.32 C ATOM 743 O HIS A 47 -0.765 13.200 -3.352 1.00 70.34 O ATOM 744 CB HIS A 47 0.406 10.124 -2.743 1.00 22.14 C ATOM 745 CG HIS A 47 1.713 10.600 -3.299 1.00 74.24 C ATOM 746 ND1 HIS A 47 1.917 10.837 -4.642 1.00 72.24 N ATOM 747 CD2 HIS A 47 2.885 10.885 -2.686 1.00 61.21 C ATOM 748 CE1 HIS A 47 3.159 11.245 -4.831 1.00 52.23 C ATOM 749 NE2 HIS A 47 3.768 11.283 -3.660 1.00 14.43 N ATOM 0 H HIS A 47 -1.565 9.662 -1.269 1.00 11.14 H new ATOM 0 HA HIS A 47 0.289 11.870 -1.497 1.00 40.03 H new ATOM 0 HB2 HIS A 47 0.594 9.315 -2.037 1.00 22.14 H new ATOM 0 HB3 HIS A 47 -0.194 9.708 -3.552 1.00 22.14 H new ATOM 0 HD1 HIS A 47 1.218 10.716 -5.375 1.00 72.24 H new ATOM 0 HD2 HIS A 47 3.088 10.813 -1.628 1.00 61.21 H new ATOM 0 HE1 HIS A 47 3.601 11.504 -5.782 1.00 52.23 H new ATOM 757 N TYR A 48 -2.199 11.491 -3.642 1.00 31.33 N ATOM 758 CA TYR A 48 -2.995 12.185 -4.646 1.00 53.54 C ATOM 759 C TYR A 48 -3.458 13.545 -4.131 1.00 24.14 C ATOM 760 O TYR A 48 -3.741 14.453 -4.911 1.00 65.13 O ATOM 761 CB TYR A 48 -4.206 11.339 -5.042 1.00 54.14 C ATOM 762 CG TYR A 48 -3.905 10.315 -6.113 1.00 32.31 C ATOM 763 CD1 TYR A 48 -2.617 9.826 -6.291 1.00 63.03 C ATOM 764 CD2 TYR A 48 -4.908 9.836 -6.947 1.00 14.35 C ATOM 765 CE1 TYR A 48 -2.336 8.890 -7.268 1.00 55.55 C ATOM 766 CE2 TYR A 48 -4.638 8.900 -7.925 1.00 63.23 C ATOM 767 CZ TYR A 48 -3.350 8.430 -8.083 1.00 13.25 C ATOM 768 OH TYR A 48 -3.076 7.498 -9.057 1.00 53.33 O ATOM 0 H TYR A 48 -2.525 10.550 -3.423 1.00 31.33 H new ATOM 0 HA TYR A 48 -2.368 12.343 -5.523 1.00 53.54 H new ATOM 0 HB2 TYR A 48 -4.586 10.827 -4.158 1.00 54.14 H new ATOM 0 HB3 TYR A 48 -5.000 11.998 -5.394 1.00 54.14 H new ATOM 0 HD1 TYR A 48 -1.821 10.184 -5.655 1.00 63.03 H new ATOM 0 HD2 TYR A 48 -5.917 10.203 -6.828 1.00 14.35 H new ATOM 0 HE1 TYR A 48 -1.329 8.521 -7.393 1.00 55.55 H new ATOM 0 HE2 TYR A 48 -5.430 8.537 -8.563 1.00 63.23 H new ATOM 0 HH TYR A 48 -2.384 7.846 -9.657 1.00 53.33 H new ATOM 778 N GLU A 49 -3.531 13.676 -2.810 1.00 24.23 N ATOM 779 CA GLU A 49 -3.958 14.924 -2.189 1.00 34.10 C ATOM 780 C GLU A 49 -3.028 16.070 -2.575 1.00 11.32 C ATOM 781 O GLU A 49 -3.391 17.242 -2.469 1.00 42.24 O ATOM 782 CB GLU A 49 -3.998 14.775 -0.667 1.00 20.14 C ATOM 783 CG GLU A 49 -5.385 14.956 -0.073 1.00 40.02 C ATOM 784 CD GLU A 49 -5.459 14.524 1.379 1.00 53.45 C ATOM 785 OE1 GLU A 49 -5.843 13.363 1.633 1.00 41.34 O ATOM 786 OE2 GLU A 49 -5.134 15.347 2.260 1.00 33.21 O ATOM 0 H GLU A 49 -3.300 12.934 -2.150 1.00 24.23 H new ATOM 0 HA GLU A 49 -4.960 15.155 -2.550 1.00 34.10 H new ATOM 0 HB2 GLU A 49 -3.623 13.788 -0.397 1.00 20.14 H new ATOM 0 HB3 GLU A 49 -3.323 15.506 -0.221 1.00 20.14 H new ATOM 0 HG2 GLU A 49 -5.676 16.003 -0.152 1.00 40.02 H new ATOM 0 HG3 GLU A 49 -6.104 14.381 -0.656 1.00 40.02 H new ATOM 793 N LYS A 50 -1.826 15.724 -3.022 1.00 22.21 N ATOM 794 CA LYS A 50 -0.842 16.722 -3.425 1.00 21.44 C ATOM 795 C LYS A 50 -1.010 17.089 -4.895 1.00 54.34 C ATOM 796 O LYS A 50 -0.583 18.159 -5.331 1.00 73.41 O ATOM 797 CB LYS A 50 0.575 16.199 -3.178 1.00 2.13 C ATOM 798 CG LYS A 50 1.462 17.178 -2.428 1.00 22.34 C ATOM 799 CD LYS A 50 2.931 16.958 -2.748 1.00 60.25 C ATOM 800 CE LYS A 50 3.585 16.017 -1.748 1.00 43.30 C ATOM 801 NZ LYS A 50 4.801 16.619 -1.134 1.00 45.15 N ATOM 0 H LYS A 50 -1.509 14.759 -3.115 1.00 22.21 H new ATOM 0 HA LYS A 50 -1.003 17.617 -2.825 1.00 21.44 H new ATOM 0 HB2 LYS A 50 0.517 15.268 -2.613 1.00 2.13 H new ATOM 0 HB3 LYS A 50 1.038 15.962 -4.136 1.00 2.13 H new ATOM 0 HG2 LYS A 50 1.181 18.198 -2.689 1.00 22.34 H new ATOM 0 HG3 LYS A 50 1.302 17.067 -1.356 1.00 22.34 H new ATOM 0 HD2 LYS A 50 3.028 16.547 -3.753 1.00 60.25 H new ATOM 0 HD3 LYS A 50 3.453 17.915 -2.743 1.00 60.25 H new ATOM 0 HE2 LYS A 50 2.870 15.765 -0.965 1.00 43.30 H new ATOM 0 HE3 LYS A 50 3.853 15.086 -2.247 1.00 43.30 H new ATOM 0 HZ1 LYS A 50 5.218 15.947 -0.458 1.00 45.15 H new ATOM 0 HZ2 LYS A 50 5.494 16.837 -1.878 1.00 45.15 H new ATOM 0 HZ3 LYS A 50 4.541 17.494 -0.636 1.00 45.15 H new ATOM 815 N PHE A 51 -1.637 16.197 -5.656 1.00 3.14 N ATOM 816 CA PHE A 51 -1.862 16.428 -7.078 1.00 11.44 C ATOM 817 C PHE A 51 -3.180 17.162 -7.307 1.00 73.10 C ATOM 818 O PHE A 51 -3.273 18.039 -8.165 1.00 63.23 O ATOM 819 CB PHE A 51 -1.865 15.100 -7.838 1.00 15.43 C ATOM 820 CG PHE A 51 -3.053 14.930 -8.741 1.00 71.13 C ATOM 821 CD1 PHE A 51 -3.108 15.577 -9.965 1.00 42.30 C ATOM 822 CD2 PHE A 51 -4.115 14.123 -8.367 1.00 30.44 C ATOM 823 CE1 PHE A 51 -4.199 15.422 -10.799 1.00 40.32 C ATOM 824 CE2 PHE A 51 -5.209 13.963 -9.197 1.00 4.53 C ATOM 825 CZ PHE A 51 -5.251 14.615 -10.414 1.00 12.02 C ATOM 0 H PHE A 51 -1.998 15.308 -5.311 1.00 3.14 H new ATOM 0 HA PHE A 51 -1.050 17.051 -7.453 1.00 11.44 H new ATOM 0 HB2 PHE A 51 -0.954 15.028 -8.432 1.00 15.43 H new ATOM 0 HB3 PHE A 51 -1.843 14.280 -7.121 1.00 15.43 H new ATOM 0 HD1 PHE A 51 -2.288 16.210 -10.271 1.00 42.30 H new ATOM 0 HD2 PHE A 51 -4.088 13.613 -7.416 1.00 30.44 H new ATOM 0 HE1 PHE A 51 -4.229 15.932 -11.751 1.00 40.32 H new ATOM 0 HE2 PHE A 51 -6.029 13.329 -8.894 1.00 4.53 H new ATOM 0 HZ PHE A 51 -6.105 14.494 -11.063 1.00 12.02 H new ATOM 835 N GLU A 52 -4.197 16.795 -6.533 1.00 53.24 N ATOM 836 CA GLU A 52 -5.511 17.417 -6.653 1.00 44.34 C ATOM 837 C GLU A 52 -5.397 18.939 -6.619 1.00 32.35 C ATOM 838 O GLU A 52 -6.054 19.640 -7.388 1.00 72.23 O ATOM 839 CB GLU A 52 -6.431 16.938 -5.529 1.00 74.33 C ATOM 840 CG GLU A 52 -5.871 17.182 -4.138 1.00 74.30 C ATOM 841 CD GLU A 52 -6.804 16.704 -3.042 1.00 21.01 C ATOM 842 OE1 GLU A 52 -7.145 17.518 -2.158 1.00 21.54 O ATOM 843 OE2 GLU A 52 -7.192 15.518 -3.068 1.00 34.42 O ATOM 0 H GLU A 52 -4.136 16.071 -5.817 1.00 53.24 H new ATOM 0 HA GLU A 52 -5.938 17.123 -7.612 1.00 44.34 H new ATOM 0 HB2 GLU A 52 -7.393 17.443 -5.618 1.00 74.33 H new ATOM 0 HB3 GLU A 52 -6.618 15.872 -5.654 1.00 74.33 H new ATOM 0 HG2 GLU A 52 -4.912 16.673 -4.042 1.00 74.30 H new ATOM 0 HG3 GLU A 52 -5.680 18.247 -4.009 1.00 74.30 H new ATOM 850 N LYS A 53 -4.559 19.443 -5.719 1.00 52.02 N ATOM 851 CA LYS A 53 -4.357 20.881 -5.582 1.00 73.43 C ATOM 852 C LYS A 53 -3.999 21.510 -6.925 1.00 22.13 C ATOM 853 O LYS A 53 -4.194 22.707 -7.131 1.00 3.30 O ATOM 854 CB LYS A 53 -3.253 21.166 -4.562 1.00 13.51 C ATOM 855 CG LYS A 53 -3.775 21.441 -3.162 1.00 70.30 C ATOM 856 CD LYS A 53 -2.686 21.264 -2.117 1.00 15.23 C ATOM 857 CE LYS A 53 -3.173 20.433 -0.940 1.00 34.41 C ATOM 858 NZ LYS A 53 -3.723 21.284 0.151 1.00 4.05 N ATOM 0 H LYS A 53 -4.009 18.877 -5.073 1.00 52.02 H new ATOM 0 HA LYS A 53 -5.290 21.323 -5.231 1.00 73.43 H new ATOM 0 HB2 LYS A 53 -2.574 20.314 -4.527 1.00 13.51 H new ATOM 0 HB3 LYS A 53 -2.671 22.024 -4.899 1.00 13.51 H new ATOM 0 HG2 LYS A 53 -4.167 22.457 -3.112 1.00 70.30 H new ATOM 0 HG3 LYS A 53 -4.604 20.768 -2.943 1.00 70.30 H new ATOM 0 HD2 LYS A 53 -1.820 20.782 -2.571 1.00 15.23 H new ATOM 0 HD3 LYS A 53 -2.358 22.241 -1.763 1.00 15.23 H new ATOM 0 HE2 LYS A 53 -3.940 19.737 -1.280 1.00 34.41 H new ATOM 0 HE3 LYS A 53 -2.349 19.834 -0.553 1.00 34.41 H new ATOM 0 HZ1 LYS A 53 -4.044 20.680 0.934 1.00 4.05 H new ATOM 0 HZ2 LYS A 53 -2.984 21.931 0.493 1.00 4.05 H new ATOM 0 HZ3 LYS A 53 -4.526 21.837 -0.211 1.00 4.05 H new ATOM 872 N MET A 54 -3.475 20.695 -7.834 1.00 73.44 N ATOM 873 CA MET A 54 -3.092 21.172 -9.158 1.00 55.20 C ATOM 874 C MET A 54 -4.294 21.189 -10.098 1.00 45.12 C ATOM 875 O MET A 54 -4.399 22.053 -10.969 1.00 71.14 O ATOM 876 CB MET A 54 -1.986 20.291 -9.741 1.00 41.32 C ATOM 877 CG MET A 54 -0.690 21.040 -10.006 1.00 64.40 C ATOM 878 SD MET A 54 0.601 19.977 -10.682 1.00 34.53 S ATOM 879 CE MET A 54 1.684 21.192 -11.428 1.00 23.22 C ATOM 0 H MET A 54 -3.306 19.701 -7.678 1.00 73.44 H new ATOM 0 HA MET A 54 -2.718 22.191 -9.056 1.00 55.20 H new ATOM 0 HB2 MET A 54 -1.787 19.469 -9.054 1.00 41.32 H new ATOM 0 HB3 MET A 54 -2.338 19.849 -10.673 1.00 41.32 H new ATOM 0 HG2 MET A 54 -0.883 21.857 -10.701 1.00 64.40 H new ATOM 0 HG3 MET A 54 -0.337 21.488 -9.077 1.00 64.40 H new ATOM 0 HE1 MET A 54 2.533 20.688 -11.889 1.00 23.22 H new ATOM 0 HE2 MET A 54 1.137 21.750 -12.188 1.00 23.22 H new ATOM 0 HE3 MET A 54 2.042 21.879 -10.662 1.00 23.22 H new ATOM 889 N ILE A 55 -5.195 20.230 -9.916 1.00 52.32 N ATOM 890 CA ILE A 55 -6.388 20.137 -10.748 1.00 74.41 C ATOM 891 C ILE A 55 -7.235 21.401 -10.640 1.00 23.52 C ATOM 892 O ILE A 55 -7.826 21.849 -11.622 1.00 5.03 O ATOM 893 CB ILE A 55 -7.250 18.920 -10.361 1.00 55.42 C ATOM 894 CG1 ILE A 55 -7.850 18.274 -11.612 1.00 1.12 C ATOM 895 CG2 ILE A 55 -8.349 19.336 -9.395 1.00 13.14 C ATOM 896 CD1 ILE A 55 -8.737 17.086 -11.312 1.00 24.11 C ATOM 0 H ILE A 55 -5.122 19.507 -9.200 1.00 52.32 H new ATOM 0 HA ILE A 55 -6.047 20.019 -11.776 1.00 74.41 H new ATOM 0 HB ILE A 55 -6.615 18.186 -9.865 1.00 55.42 H new ATOM 0 HG12 ILE A 55 -8.429 19.021 -12.155 1.00 1.12 H new ATOM 0 HG13 ILE A 55 -7.042 17.956 -12.271 1.00 1.12 H new ATOM 0 HG21 ILE A 55 -8.950 18.466 -9.131 1.00 13.14 H new ATOM 0 HG22 ILE A 55 -7.902 19.755 -8.494 1.00 13.14 H new ATOM 0 HG23 ILE A 55 -8.984 20.085 -9.867 1.00 13.14 H new ATOM 0 HD11 ILE A 55 -9.127 16.679 -12.245 1.00 24.11 H new ATOM 0 HD12 ILE A 55 -8.158 16.320 -10.796 1.00 24.11 H new ATOM 0 HD13 ILE A 55 -9.566 17.402 -10.679 1.00 24.11 H new ATOM 908 N GLN A 56 -7.286 21.970 -9.440 1.00 55.41 N ATOM 909 CA GLN A 56 -8.060 23.184 -9.204 1.00 63.11 C ATOM 910 C GLN A 56 -7.279 24.420 -9.638 1.00 22.00 C ATOM 911 O GLN A 56 -7.846 25.501 -9.790 1.00 43.33 O ATOM 912 CB GLN A 56 -8.434 23.296 -7.725 1.00 72.32 C ATOM 913 CG GLN A 56 -9.859 22.860 -7.424 1.00 11.41 C ATOM 914 CD GLN A 56 -10.095 22.617 -5.946 1.00 41.32 C ATOM 915 OE1 GLN A 56 -9.461 21.754 -5.339 1.00 35.25 O ATOM 916 NE2 GLN A 56 -11.010 23.380 -5.359 1.00 71.42 N ATOM 0 H GLN A 56 -6.802 21.611 -8.617 1.00 55.41 H new ATOM 0 HA GLN A 56 -8.972 23.125 -9.799 1.00 63.11 H new ATOM 0 HB2 GLN A 56 -7.745 22.689 -7.137 1.00 72.32 H new ATOM 0 HB3 GLN A 56 -8.303 24.329 -7.403 1.00 72.32 H new ATOM 0 HG2 GLN A 56 -10.551 23.624 -7.778 1.00 11.41 H new ATOM 0 HG3 GLN A 56 -10.081 21.948 -7.978 1.00 11.41 H new ATOM 0 HE21 GLN A 56 -11.512 24.083 -5.901 1.00 71.42 H new ATOM 0 HE22 GLN A 56 -11.211 23.263 -4.366 1.00 71.42 H new ATOM 925 N GLU A 57 -5.975 24.251 -9.835 1.00 1.32 N ATOM 926 CA GLU A 57 -5.117 25.355 -10.250 1.00 23.30 C ATOM 927 C GLU A 57 -5.232 25.599 -11.752 1.00 34.51 C ATOM 928 O GLU A 57 -5.207 26.741 -12.211 1.00 2.14 O ATOM 929 CB GLU A 57 -3.661 25.065 -9.880 1.00 24.21 C ATOM 930 CG GLU A 57 -2.712 26.208 -10.200 1.00 60.44 C ATOM 931 CD GLU A 57 -1.347 25.724 -10.650 1.00 50.13 C ATOM 932 OE1 GLU A 57 -0.930 24.633 -10.209 1.00 23.23 O ATOM 933 OE2 GLU A 57 -0.696 26.436 -11.443 1.00 53.11 O ATOM 0 H GLU A 57 -5.490 23.362 -9.714 1.00 1.32 H new ATOM 0 HA GLU A 57 -5.446 26.253 -9.727 1.00 23.30 H new ATOM 0 HB2 GLU A 57 -3.603 24.843 -8.814 1.00 24.21 H new ATOM 0 HB3 GLU A 57 -3.331 24.171 -10.410 1.00 24.21 H new ATOM 0 HG2 GLU A 57 -3.149 26.830 -10.981 1.00 60.44 H new ATOM 0 HG3 GLU A 57 -2.597 26.838 -9.318 1.00 60.44 H new ATOM 940 N HIS A 58 -5.359 24.516 -12.513 1.00 51.22 N ATOM 941 CA HIS A 58 -5.479 24.612 -13.964 1.00 22.53 C ATOM 942 C HIS A 58 -5.401 23.230 -14.607 1.00 44.32 C ATOM 943 O HIS A 58 -5.966 22.998 -15.676 1.00 51.44 O ATOM 944 CB HIS A 58 -4.381 25.513 -14.529 1.00 41.20 C ATOM 945 CG HIS A 58 -4.906 26.731 -15.226 1.00 25.31 C ATOM 946 ND1 HIS A 58 -6.016 27.425 -14.794 1.00 4.40 N ATOM 947 CD2 HIS A 58 -4.464 27.378 -16.330 1.00 35.12 C ATOM 948 CE1 HIS A 58 -6.236 28.446 -15.603 1.00 43.21 C ATOM 949 NE2 HIS A 58 -5.308 28.440 -16.543 1.00 51.23 N ATOM 0 H HIS A 58 -5.381 23.563 -12.150 1.00 51.22 H new ATOM 0 HA HIS A 58 -6.451 25.048 -14.196 1.00 22.53 H new ATOM 0 HB2 HIS A 58 -3.724 25.824 -13.717 1.00 41.20 H new ATOM 0 HB3 HIS A 58 -3.774 24.938 -15.228 1.00 41.20 H new ATOM 0 HD1 HIS A 58 -6.579 27.187 -13.978 1.00 4.40 H new ATOM 0 HD2 HIS A 58 -3.608 27.109 -16.931 1.00 35.12 H new ATOM 0 HE1 HIS A 58 -7.038 29.163 -15.511 1.00 43.21 H new ATOM 957 N THR A 59 -4.695 22.315 -13.950 1.00 13.25 N ATOM 958 CA THR A 59 -4.541 20.958 -14.458 1.00 14.11 C ATOM 959 C THR A 59 -5.874 20.398 -14.941 1.00 60.35 C ATOM 960 O THR A 59 -5.919 19.598 -15.876 1.00 73.13 O ATOM 961 CB THR A 59 -3.962 20.018 -13.384 1.00 44.30 C ATOM 962 OG1 THR A 59 -2.531 20.083 -13.397 1.00 12.45 O ATOM 963 CG2 THR A 59 -4.411 18.584 -13.620 1.00 50.21 C ATOM 0 H THR A 59 -4.221 22.490 -13.064 1.00 13.25 H new ATOM 0 HA THR A 59 -3.846 21.011 -15.296 1.00 14.11 H new ATOM 0 HB THR A 59 -4.332 20.342 -12.411 1.00 44.30 H new ATOM 0 HG1 THR A 59 -2.224 20.669 -12.674 1.00 12.45 H new ATOM 0 HG21 THR A 59 -3.989 17.939 -12.849 1.00 50.21 H new ATOM 0 HG22 THR A 59 -5.499 18.532 -13.581 1.00 50.21 H new ATOM 0 HG23 THR A 59 -4.067 18.251 -14.599 1.00 50.21 H new ATOM 971 N ASP A 60 -6.957 20.823 -14.300 1.00 22.40 N ATOM 972 CA ASP A 60 -8.292 20.364 -14.666 1.00 42.23 C ATOM 973 C ASP A 60 -8.530 20.526 -16.164 1.00 40.34 C ATOM 974 O ASP A 60 -9.136 19.667 -16.805 1.00 24.54 O ATOM 975 CB ASP A 60 -9.353 21.138 -13.882 1.00 20.50 C ATOM 976 CG ASP A 60 -10.729 21.031 -14.509 1.00 70.52 C ATOM 977 OD1 ASP A 60 -11.371 19.971 -14.354 1.00 74.30 O ATOM 978 OD2 ASP A 60 -11.164 22.007 -15.155 1.00 21.04 O ATOM 0 H ASP A 60 -6.937 21.485 -13.524 1.00 22.40 H new ATOM 0 HA ASP A 60 -8.367 19.306 -14.417 1.00 42.23 H new ATOM 0 HB2 ASP A 60 -9.392 20.761 -12.860 1.00 20.50 H new ATOM 0 HB3 ASP A 60 -9.064 22.187 -13.824 1.00 20.50 H new ATOM 983 N LYS A 61 -8.050 21.635 -16.718 1.00 35.01 N ATOM 984 CA LYS A 61 -8.210 21.911 -18.141 1.00 12.34 C ATOM 985 C LYS A 61 -7.128 21.210 -18.956 1.00 15.01 C ATOM 986 O LYS A 61 -7.359 20.809 -20.097 1.00 32.32 O ATOM 987 CB LYS A 61 -8.160 23.419 -18.397 1.00 40.20 C ATOM 988 CG LYS A 61 -8.316 23.793 -19.861 1.00 32.30 C ATOM 989 CD LYS A 61 -8.763 25.236 -20.024 1.00 32.14 C ATOM 990 CE LYS A 61 -10.267 25.377 -19.848 1.00 74.40 C ATOM 991 NZ LYS A 61 -10.992 25.243 -21.142 1.00 42.33 N ATOM 0 H LYS A 61 -7.547 22.357 -16.203 1.00 35.01 H new ATOM 0 HA LYS A 61 -9.181 21.527 -18.454 1.00 12.34 H new ATOM 0 HB2 LYS A 61 -8.949 23.903 -17.821 1.00 40.20 H new ATOM 0 HB3 LYS A 61 -7.211 23.810 -18.030 1.00 40.20 H new ATOM 0 HG2 LYS A 61 -7.368 23.644 -20.378 1.00 32.30 H new ATOM 0 HG3 LYS A 61 -9.043 23.131 -20.331 1.00 32.30 H new ATOM 0 HD2 LYS A 61 -8.250 25.862 -19.294 1.00 32.14 H new ATOM 0 HD3 LYS A 61 -8.476 25.598 -21.011 1.00 32.14 H new ATOM 0 HE2 LYS A 61 -10.624 24.618 -19.152 1.00 74.40 H new ATOM 0 HE3 LYS A 61 -10.491 26.347 -19.405 1.00 74.40 H new ATOM 0 HZ1 LYS A 61 -12.014 25.345 -20.979 1.00 42.33 H new ATOM 0 HZ2 LYS A 61 -10.670 25.983 -21.798 1.00 42.33 H new ATOM 0 HZ3 LYS A 61 -10.799 24.307 -21.553 1.00 42.33 H new ATOM 1005 N PHE A 62 -5.948 21.064 -18.363 1.00 11.30 N ATOM 1006 CA PHE A 62 -4.831 20.411 -19.034 1.00 62.45 C ATOM 1007 C PHE A 62 -5.233 19.028 -19.539 1.00 73.02 C ATOM 1008 O PHE A 62 -4.806 18.598 -20.610 1.00 21.24 O ATOM 1009 CB PHE A 62 -3.637 20.292 -18.085 1.00 63.32 C ATOM 1010 CG PHE A 62 -2.317 20.572 -18.745 1.00 24.24 C ATOM 1011 CD1 PHE A 62 -1.937 19.883 -19.885 1.00 51.24 C ATOM 1012 CD2 PHE A 62 -1.455 21.523 -18.223 1.00 41.43 C ATOM 1013 CE1 PHE A 62 -0.723 20.139 -20.495 1.00 31.30 C ATOM 1014 CE2 PHE A 62 -0.240 21.784 -18.829 1.00 20.54 C ATOM 1015 CZ PHE A 62 0.127 21.090 -19.965 1.00 71.51 C ATOM 0 H PHE A 62 -5.741 21.389 -17.419 1.00 11.30 H new ATOM 0 HA PHE A 62 -4.546 21.023 -19.890 1.00 62.45 H new ATOM 0 HB2 PHE A 62 -3.773 20.984 -17.254 1.00 63.32 H new ATOM 0 HB3 PHE A 62 -3.617 19.287 -17.663 1.00 63.32 H new ATOM 0 HD1 PHE A 62 -2.597 19.137 -20.302 1.00 51.24 H new ATOM 0 HD2 PHE A 62 -1.735 22.066 -17.333 1.00 41.43 H new ATOM 0 HE1 PHE A 62 -0.440 19.596 -21.385 1.00 31.30 H new ATOM 0 HE2 PHE A 62 0.422 22.530 -18.414 1.00 20.54 H new ATOM 0 HZ PHE A 62 1.077 21.290 -20.438 1.00 71.51 H new ATOM 1025 N ASN A 63 -6.058 18.337 -18.759 1.00 72.22 N ATOM 1026 CA ASN A 63 -6.518 17.002 -19.126 1.00 10.23 C ATOM 1027 C ASN A 63 -7.142 17.005 -20.518 1.00 11.21 C ATOM 1028 O ASN A 63 -7.185 15.977 -21.193 1.00 74.25 O ATOM 1029 CB ASN A 63 -7.532 16.490 -18.101 1.00 13.31 C ATOM 1030 CG ASN A 63 -8.227 15.222 -18.559 1.00 1.34 C ATOM 1031 OD1 ASN A 63 -9.447 15.098 -18.455 1.00 33.32 O ATOM 1032 ND2 ASN A 63 -7.450 14.273 -19.068 1.00 52.43 N ATOM 0 H ASN A 63 -6.422 18.679 -17.869 1.00 72.22 H new ATOM 0 HA ASN A 63 -5.654 16.337 -19.136 1.00 10.23 H new ATOM 0 HB2 ASN A 63 -7.025 16.302 -17.155 1.00 13.31 H new ATOM 0 HB3 ASN A 63 -8.278 17.263 -17.914 1.00 13.31 H new ATOM 0 HD21 ASN A 63 -7.860 13.397 -19.392 1.00 52.43 H new ATOM 0 HD22 ASN A 63 -6.443 14.420 -19.135 1.00 52.43 H new ATOM 1039 N LYS A 64 -7.624 18.168 -20.942 1.00 15.55 N ATOM 1040 CA LYS A 64 -8.245 18.308 -22.254 1.00 21.14 C ATOM 1041 C LYS A 64 -7.187 18.451 -23.343 1.00 70.32 C ATOM 1042 O LYS A 64 -7.381 18.004 -24.474 1.00 52.21 O ATOM 1043 CB LYS A 64 -9.179 19.520 -22.273 1.00 21.02 C ATOM 1044 CG LYS A 64 -10.347 19.403 -21.309 1.00 2.23 C ATOM 1045 CD LYS A 64 -11.456 20.382 -21.655 1.00 71.14 C ATOM 1046 CE LYS A 64 -12.687 20.159 -20.790 1.00 3.13 C ATOM 1047 NZ LYS A 64 -12.786 21.166 -19.697 1.00 51.12 N ATOM 0 H LYS A 64 -7.597 19.029 -20.395 1.00 15.55 H new ATOM 0 HA LYS A 64 -8.826 17.407 -22.452 1.00 21.14 H new ATOM 0 HB2 LYS A 64 -8.605 20.414 -22.029 1.00 21.02 H new ATOM 0 HB3 LYS A 64 -9.565 19.655 -23.283 1.00 21.02 H new ATOM 0 HG2 LYS A 64 -10.738 18.386 -21.332 1.00 2.23 H new ATOM 0 HG3 LYS A 64 -10.001 19.589 -20.292 1.00 2.23 H new ATOM 0 HD2 LYS A 64 -11.097 21.402 -21.522 1.00 71.14 H new ATOM 0 HD3 LYS A 64 -11.724 20.273 -22.706 1.00 71.14 H new ATOM 0 HE2 LYS A 64 -13.581 20.208 -21.411 1.00 3.13 H new ATOM 0 HE3 LYS A 64 -12.652 19.158 -20.360 1.00 3.13 H new ATOM 0 HZ1 LYS A 64 -13.638 20.980 -19.130 1.00 51.12 H new ATOM 0 HZ2 LYS A 64 -11.945 21.102 -19.089 1.00 51.12 H new ATOM 0 HZ3 LYS A 64 -12.845 22.120 -20.108 1.00 51.12 H new ATOM 1061 N LYS A 65 -6.067 19.075 -22.996 1.00 23.34 N ATOM 1062 CA LYS A 65 -4.976 19.274 -23.942 1.00 50.35 C ATOM 1063 C LYS A 65 -4.102 18.028 -24.036 1.00 23.10 C ATOM 1064 O LYS A 65 -3.853 17.514 -25.126 1.00 21.51 O ATOM 1065 CB LYS A 65 -4.126 20.477 -23.526 1.00 64.35 C ATOM 1066 CG LYS A 65 -4.920 21.577 -22.844 1.00 73.15 C ATOM 1067 CD LYS A 65 -4.603 22.941 -23.433 1.00 42.24 C ATOM 1068 CE LYS A 65 -3.221 23.421 -23.015 1.00 74.01 C ATOM 1069 NZ LYS A 65 -3.287 24.688 -22.236 1.00 43.41 N ATOM 0 H LYS A 65 -5.891 19.452 -22.065 1.00 23.34 H new ATOM 0 HA LYS A 65 -5.410 19.466 -24.923 1.00 50.35 H new ATOM 0 HB2 LYS A 65 -3.338 20.139 -22.853 1.00 64.35 H new ATOM 0 HB3 LYS A 65 -3.637 20.888 -24.409 1.00 64.35 H new ATOM 0 HG2 LYS A 65 -5.986 21.374 -22.946 1.00 73.15 H new ATOM 0 HG3 LYS A 65 -4.697 21.580 -21.777 1.00 73.15 H new ATOM 0 HD2 LYS A 65 -4.658 22.891 -24.520 1.00 42.24 H new ATOM 0 HD3 LYS A 65 -5.353 23.662 -23.109 1.00 42.24 H new ATOM 0 HE2 LYS A 65 -2.735 22.651 -22.416 1.00 74.01 H new ATOM 0 HE3 LYS A 65 -2.605 23.571 -23.902 1.00 74.01 H new ATOM 0 HZ1 LYS A 65 -2.326 24.982 -21.970 1.00 43.41 H new ATOM 0 HZ2 LYS A 65 -3.728 25.430 -22.816 1.00 43.41 H new ATOM 0 HZ3 LYS A 65 -3.854 24.538 -21.377 1.00 43.41 H new ATOM 1083 N MET A 66 -3.640 17.547 -22.886 1.00 42.13 N ATOM 1084 CA MET A 66 -2.796 16.359 -22.840 1.00 25.05 C ATOM 1085 C MET A 66 -3.602 15.106 -23.163 1.00 34.40 C ATOM 1086 O MET A 66 -3.046 14.016 -23.299 1.00 60.11 O ATOM 1087 CB MET A 66 -2.148 16.221 -21.460 1.00 52.12 C ATOM 1088 CG MET A 66 -0.843 16.988 -21.322 1.00 13.32 C ATOM 1089 SD MET A 66 0.599 15.906 -21.291 1.00 13.21 S ATOM 1090 CE MET A 66 1.915 17.088 -21.574 1.00 73.32 C ATOM 0 H MET A 66 -3.836 17.961 -21.975 1.00 42.13 H new ATOM 0 HA MET A 66 -2.014 16.470 -23.592 1.00 25.05 H new ATOM 0 HB2 MET A 66 -2.848 16.572 -20.702 1.00 52.12 H new ATOM 0 HB3 MET A 66 -1.963 15.166 -21.258 1.00 52.12 H new ATOM 0 HG2 MET A 66 -0.749 17.689 -22.151 1.00 13.32 H new ATOM 0 HG3 MET A 66 -0.869 17.579 -20.407 1.00 13.32 H new ATOM 0 HE1 MET A 66 2.874 16.570 -21.582 1.00 73.32 H new ATOM 0 HE2 MET A 66 1.761 17.581 -22.534 1.00 73.32 H new ATOM 0 HE3 MET A 66 1.912 17.833 -20.778 1.00 73.32 H new ATOM 1100 N ARG A 67 -4.916 15.268 -23.284 1.00 61.34 N ATOM 1101 CA ARG A 67 -5.799 14.149 -23.590 1.00 62.42 C ATOM 1102 C ARG A 67 -5.348 13.432 -24.860 1.00 31.44 C ATOM 1103 O ARG A 67 -5.675 12.265 -25.074 1.00 31.14 O ATOM 1104 CB ARG A 67 -7.239 14.637 -23.752 1.00 14.30 C ATOM 1105 CG ARG A 67 -8.241 13.871 -22.903 1.00 52.55 C ATOM 1106 CD ARG A 67 -9.530 14.657 -22.717 1.00 43.54 C ATOM 1107 NE ARG A 67 -10.712 13.814 -22.868 1.00 72.25 N ATOM 1108 CZ ARG A 67 -11.956 14.265 -22.756 1.00 53.54 C ATOM 1109 NH1 ARG A 67 -12.179 15.546 -22.494 1.00 32.20 N ATOM 1110 NH2 ARG A 67 -12.981 13.436 -22.907 1.00 62.33 N ATOM 0 H ARG A 67 -5.392 16.163 -23.175 1.00 61.34 H new ATOM 0 HA ARG A 67 -5.753 13.445 -22.759 1.00 62.42 H new ATOM 0 HB2 ARG A 67 -7.287 15.694 -23.490 1.00 14.30 H new ATOM 0 HB3 ARG A 67 -7.526 14.555 -24.800 1.00 14.30 H new ATOM 0 HG2 ARG A 67 -8.462 12.914 -23.375 1.00 52.55 H new ATOM 0 HG3 ARG A 67 -7.803 13.653 -21.929 1.00 52.55 H new ATOM 0 HD2 ARG A 67 -9.536 15.115 -21.728 1.00 43.54 H new ATOM 0 HD3 ARG A 67 -9.568 15.468 -23.444 1.00 43.54 H new ATOM 0 HE ARG A 67 -10.575 12.824 -23.071 1.00 72.25 H new ATOM 0 HH11 ARG A 67 -11.394 16.187 -22.378 1.00 32.20 H new ATOM 0 HH12 ARG A 67 -13.135 15.890 -22.408 1.00 32.20 H new ATOM 0 HH21 ARG A 67 -12.814 12.450 -23.109 1.00 62.33 H new ATOM 0 HH22 ARG A 67 -13.936 13.784 -22.821 1.00 62.33 H new ATOM 1124 N GLU A 68 -4.596 14.139 -25.697 1.00 73.14 N ATOM 1125 CA GLU A 68 -4.102 13.570 -26.946 1.00 34.43 C ATOM 1126 C GLU A 68 -3.087 12.463 -26.675 1.00 50.20 C ATOM 1127 O GLU A 68 -3.058 11.448 -27.371 1.00 61.23 O ATOM 1128 CB GLU A 68 -3.467 14.659 -27.813 1.00 34.23 C ATOM 1129 CG GLU A 68 -4.481 15.517 -28.551 1.00 63.24 C ATOM 1130 CD GLU A 68 -3.863 16.291 -29.700 1.00 31.31 C ATOM 1131 OE1 GLU A 68 -3.119 17.257 -29.431 1.00 22.11 O ATOM 1132 OE2 GLU A 68 -4.124 15.931 -30.867 1.00 22.23 O ATOM 0 H GLU A 68 -4.315 15.106 -25.534 1.00 73.14 H new ATOM 0 HA GLU A 68 -4.949 13.140 -27.480 1.00 34.43 H new ATOM 0 HB2 GLU A 68 -2.851 15.300 -27.183 1.00 34.23 H new ATOM 0 HB3 GLU A 68 -2.802 14.192 -28.539 1.00 34.23 H new ATOM 0 HG2 GLU A 68 -5.279 14.881 -28.934 1.00 63.24 H new ATOM 0 HG3 GLU A 68 -4.938 16.216 -27.851 1.00 63.24 H new ATOM 1139 N HIS A 69 -2.255 12.667 -25.659 1.00 2.52 N ATOM 1140 CA HIS A 69 -1.237 11.688 -25.295 1.00 72.22 C ATOM 1141 C HIS A 69 -1.655 10.905 -24.054 1.00 12.41 C ATOM 1142 O HIS A 69 -0.877 10.122 -23.511 1.00 24.23 O ATOM 1143 CB HIS A 69 0.103 12.381 -25.048 1.00 20.00 C ATOM 1144 CG HIS A 69 0.689 13.007 -26.276 1.00 21.10 C ATOM 1145 ND1 HIS A 69 1.955 12.715 -26.738 1.00 42.42 N ATOM 1146 CD2 HIS A 69 0.174 13.912 -27.140 1.00 50.41 C ATOM 1147 CE1 HIS A 69 2.194 13.416 -27.832 1.00 61.04 C ATOM 1148 NE2 HIS A 69 1.129 14.150 -28.098 1.00 13.20 N ATOM 0 H HIS A 69 -2.266 13.502 -25.073 1.00 2.52 H new ATOM 0 HA HIS A 69 -1.128 10.989 -26.124 1.00 72.22 H new ATOM 0 HB2 HIS A 69 -0.030 13.149 -24.286 1.00 20.00 H new ATOM 0 HB3 HIS A 69 0.810 11.654 -24.648 1.00 20.00 H new ATOM 0 HD2 HIS A 69 -0.806 14.363 -27.086 1.00 50.41 H new ATOM 0 HE1 HIS A 69 3.106 13.393 -28.411 1.00 61.04 H new ATOM 0 HE2 HIS A 69 1.031 14.790 -28.887 1.00 13.20 H new ATOM 1156 N SER A 70 -2.889 11.124 -23.610 1.00 1.20 N ATOM 1157 CA SER A 70 -3.409 10.443 -22.430 1.00 43.10 C ATOM 1158 C SER A 70 -3.649 8.964 -22.718 1.00 55.43 C ATOM 1159 O SER A 70 -3.919 8.180 -21.809 1.00 52.31 O ATOM 1160 CB SER A 70 -4.709 11.102 -21.966 1.00 51.21 C ATOM 1161 OG SER A 70 -5.755 10.875 -22.894 1.00 75.32 O ATOM 0 H SER A 70 -3.547 11.768 -24.050 1.00 1.20 H new ATOM 0 HA SER A 70 -2.666 10.525 -21.637 1.00 43.10 H new ATOM 0 HB2 SER A 70 -4.992 10.707 -20.990 1.00 51.21 H new ATOM 0 HB3 SER A 70 -4.554 12.174 -21.843 1.00 51.21 H new ATOM 0 HG SER A 70 -5.497 11.230 -23.771 1.00 75.32 H new ATOM 1167 N GLU A 71 -3.550 8.592 -23.991 1.00 22.04 N ATOM 1168 CA GLU A 71 -3.758 7.208 -24.399 1.00 64.22 C ATOM 1169 C GLU A 71 -2.680 6.300 -23.813 1.00 71.11 C ATOM 1170 O GLU A 71 -2.965 5.189 -23.364 1.00 12.32 O ATOM 1171 CB GLU A 71 -3.758 7.098 -25.925 1.00 61.33 C ATOM 1172 CG GLU A 71 -5.135 6.849 -26.517 1.00 61.24 C ATOM 1173 CD GLU A 71 -5.101 6.684 -28.024 1.00 60.13 C ATOM 1174 OE1 GLU A 71 -4.505 7.547 -28.702 1.00 1.53 O ATOM 1175 OE2 GLU A 71 -5.670 5.692 -28.526 1.00 51.32 O ATOM 0 H GLU A 71 -3.327 9.229 -24.756 1.00 22.04 H new ATOM 0 HA GLU A 71 -4.727 6.885 -24.018 1.00 64.22 H new ATOM 0 HB2 GLU A 71 -3.351 8.017 -26.347 1.00 61.33 H new ATOM 0 HB3 GLU A 71 -3.092 6.288 -26.223 1.00 61.33 H new ATOM 0 HG2 GLU A 71 -5.563 5.954 -26.067 1.00 61.24 H new ATOM 0 HG3 GLU A 71 -5.792 7.680 -26.261 1.00 61.24 H new ATOM 1182 N HIS A 72 -1.441 6.780 -23.822 1.00 3.32 N ATOM 1183 CA HIS A 72 -0.320 6.013 -23.291 1.00 65.23 C ATOM 1184 C HIS A 72 -0.172 6.234 -21.789 1.00 32.01 C ATOM 1185 O HIS A 72 0.427 5.419 -21.087 1.00 10.00 O ATOM 1186 CB HIS A 72 0.975 6.402 -24.005 1.00 64.32 C ATOM 1187 CG HIS A 72 2.139 5.527 -23.653 1.00 43.42 C ATOM 1188 ND1 HIS A 72 2.054 4.153 -23.584 1.00 63.21 N ATOM 1189 CD2 HIS A 72 3.421 5.839 -23.351 1.00 44.14 C ATOM 1190 CE1 HIS A 72 3.233 3.657 -23.253 1.00 42.02 C ATOM 1191 NE2 HIS A 72 4.081 4.660 -23.107 1.00 34.44 N ATOM 0 H HIS A 72 -1.188 7.697 -24.191 1.00 3.32 H new ATOM 0 HA HIS A 72 -0.520 4.956 -23.467 1.00 65.23 H new ATOM 0 HB2 HIS A 72 0.813 6.361 -25.082 1.00 64.32 H new ATOM 0 HB3 HIS A 72 1.220 7.435 -23.759 1.00 64.32 H new ATOM 0 HD2 HIS A 72 3.846 6.831 -23.310 1.00 44.14 H new ATOM 0 HE1 HIS A 72 3.464 2.610 -23.124 1.00 42.02 H new ATOM 0 HE2 HIS A 72 5.065 4.573 -22.854 1.00 34.44 H new ATOM 1199 N PHE A 73 -0.722 7.342 -21.302 1.00 61.41 N ATOM 1200 CA PHE A 73 -0.650 7.671 -19.883 1.00 71.13 C ATOM 1201 C PHE A 73 -1.702 6.899 -19.092 1.00 0.10 C ATOM 1202 O PHE A 73 -1.395 6.266 -18.082 1.00 30.33 O ATOM 1203 CB PHE A 73 -0.842 9.175 -19.677 1.00 20.33 C ATOM 1204 CG PHE A 73 0.206 10.011 -20.353 1.00 4.31 C ATOM 1205 CD1 PHE A 73 -0.126 11.222 -20.939 1.00 72.20 C ATOM 1206 CD2 PHE A 73 1.524 9.587 -20.403 1.00 24.32 C ATOM 1207 CE1 PHE A 73 0.836 11.994 -21.562 1.00 1.32 C ATOM 1208 CE2 PHE A 73 2.491 10.355 -21.024 1.00 30.03 C ATOM 1209 CZ PHE A 73 2.146 11.560 -21.605 1.00 23.41 C ATOM 0 H PHE A 73 -1.222 8.027 -21.869 1.00 61.41 H new ATOM 0 HA PHE A 73 0.336 7.384 -19.518 1.00 71.13 H new ATOM 0 HB2 PHE A 73 -1.824 9.463 -20.054 1.00 20.33 H new ATOM 0 HB3 PHE A 73 -0.834 9.391 -18.609 1.00 20.33 H new ATOM 0 HD1 PHE A 73 -1.149 11.567 -20.908 1.00 72.20 H new ATOM 0 HD2 PHE A 73 1.799 8.645 -19.951 1.00 24.32 H new ATOM 0 HE1 PHE A 73 0.563 12.936 -22.015 1.00 1.32 H new ATOM 0 HE2 PHE A 73 3.515 10.013 -21.055 1.00 30.03 H new ATOM 0 HZ PHE A 73 2.900 12.161 -22.092 1.00 23.41 H new ATOM 1219 N LYS A 74 -2.945 6.957 -19.558 1.00 42.22 N ATOM 1220 CA LYS A 74 -4.044 6.264 -18.897 1.00 1.35 C ATOM 1221 C LYS A 74 -3.753 4.772 -18.777 1.00 62.20 C ATOM 1222 O LYS A 74 -4.307 4.089 -17.917 1.00 32.35 O ATOM 1223 CB LYS A 74 -5.348 6.480 -19.668 1.00 10.24 C ATOM 1224 CG LYS A 74 -6.543 5.771 -19.053 1.00 45.31 C ATOM 1225 CD LYS A 74 -6.859 4.477 -19.784 1.00 14.25 C ATOM 1226 CE LYS A 74 -8.211 3.919 -19.367 1.00 75.30 C ATOM 1227 NZ LYS A 74 -8.373 2.495 -19.773 1.00 44.13 N ATOM 0 H LYS A 74 -3.216 7.478 -20.392 1.00 42.22 H new ATOM 0 HA LYS A 74 -4.150 6.677 -17.894 1.00 1.35 H new ATOM 0 HB2 LYS A 74 -5.557 7.549 -19.720 1.00 10.24 H new ATOM 0 HB3 LYS A 74 -5.217 6.131 -20.692 1.00 10.24 H new ATOM 0 HG2 LYS A 74 -6.340 5.557 -18.004 1.00 45.31 H new ATOM 0 HG3 LYS A 74 -7.412 6.428 -19.082 1.00 45.31 H new ATOM 0 HD2 LYS A 74 -6.853 4.654 -20.859 1.00 14.25 H new ATOM 0 HD3 LYS A 74 -6.081 3.742 -19.578 1.00 14.25 H new ATOM 0 HE2 LYS A 74 -8.321 4.003 -18.286 1.00 75.30 H new ATOM 0 HE3 LYS A 74 -9.005 4.517 -19.815 1.00 75.30 H new ATOM 0 HZ1 LYS A 74 -9.307 2.152 -19.471 1.00 44.13 H new ATOM 0 HZ2 LYS A 74 -8.294 2.418 -20.807 1.00 44.13 H new ATOM 0 HZ3 LYS A 74 -7.631 1.920 -19.325 1.00 44.13 H new ATOM 1241 N ALA A 75 -2.879 4.273 -19.645 1.00 22.41 N ATOM 1242 CA ALA A 75 -2.512 2.862 -19.634 1.00 2.02 C ATOM 1243 C ALA A 75 -1.451 2.579 -18.575 1.00 51.13 C ATOM 1244 O ALA A 75 -1.401 1.488 -18.007 1.00 72.13 O ATOM 1245 CB ALA A 75 -2.016 2.435 -21.007 1.00 75.35 C ATOM 0 H ALA A 75 -2.412 4.825 -20.365 1.00 22.41 H new ATOM 0 HA ALA A 75 -3.401 2.283 -19.384 1.00 2.02 H new ATOM 0 HB1 ALA A 75 -1.746 1.379 -20.984 1.00 75.35 H new ATOM 0 HB2 ALA A 75 -2.804 2.592 -21.744 1.00 75.35 H new ATOM 0 HB3 ALA A 75 -1.142 3.028 -21.279 1.00 75.35 H new ATOM 1251 N LYS A 76 -0.603 3.568 -18.315 1.00 14.53 N ATOM 1252 CA LYS A 76 0.457 3.427 -17.324 1.00 10.20 C ATOM 1253 C LYS A 76 -0.092 2.865 -16.016 1.00 44.33 C ATOM 1254 O LYS A 76 0.509 1.978 -15.410 1.00 1.23 O ATOM 1255 CB LYS A 76 1.128 4.779 -17.069 1.00 23.41 C ATOM 1256 CG LYS A 76 2.308 4.702 -16.115 1.00 35.53 C ATOM 1257 CD LYS A 76 3.353 3.712 -16.600 1.00 25.34 C ATOM 1258 CE LYS A 76 4.763 4.206 -16.314 1.00 43.13 C ATOM 1259 NZ LYS A 76 5.731 3.081 -16.192 1.00 4.20 N ATOM 0 H LYS A 76 -0.629 4.477 -18.777 1.00 14.53 H new ATOM 0 HA LYS A 76 1.197 2.729 -17.717 1.00 10.20 H new ATOM 0 HB2 LYS A 76 1.466 5.192 -18.019 1.00 23.41 H new ATOM 0 HB3 LYS A 76 0.389 5.471 -16.665 1.00 23.41 H new ATOM 0 HG2 LYS A 76 2.760 5.689 -16.013 1.00 35.53 H new ATOM 0 HG3 LYS A 76 1.958 4.408 -15.125 1.00 35.53 H new ATOM 0 HD2 LYS A 76 3.198 2.749 -16.113 1.00 25.34 H new ATOM 0 HD3 LYS A 76 3.233 3.550 -17.671 1.00 25.34 H new ATOM 0 HE2 LYS A 76 5.082 4.875 -17.113 1.00 43.13 H new ATOM 0 HE3 LYS A 76 4.764 4.788 -15.392 1.00 43.13 H new ATOM 0 HZ1 LYS A 76 6.682 3.412 -16.452 1.00 4.20 H new ATOM 0 HZ2 LYS A 76 5.741 2.736 -15.211 1.00 4.20 H new ATOM 0 HZ3 LYS A 76 5.447 2.308 -16.827 1.00 4.20 H new ATOM 1273 N PHE A 77 -1.237 3.386 -15.588 1.00 4.41 N ATOM 1274 CA PHE A 77 -1.866 2.936 -14.352 1.00 54.11 C ATOM 1275 C PHE A 77 -1.924 1.412 -14.295 1.00 11.30 C ATOM 1276 O PHE A 77 -1.789 0.815 -13.227 1.00 53.15 O ATOM 1277 CB PHE A 77 -3.277 3.516 -14.233 1.00 74.12 C ATOM 1278 CG PHE A 77 -3.326 4.832 -13.511 1.00 22.23 C ATOM 1279 CD1 PHE A 77 -2.368 5.804 -13.749 1.00 64.21 C ATOM 1280 CD2 PHE A 77 -4.329 5.097 -12.593 1.00 33.54 C ATOM 1281 CE1 PHE A 77 -2.409 7.016 -13.086 1.00 74.02 C ATOM 1282 CE2 PHE A 77 -4.376 6.307 -11.927 1.00 74.10 C ATOM 1283 CZ PHE A 77 -3.415 7.267 -12.173 1.00 43.32 C ATOM 0 H PHE A 77 -1.748 4.120 -16.079 1.00 4.41 H new ATOM 0 HA PHE A 77 -1.263 3.291 -13.516 1.00 54.11 H new ATOM 0 HB2 PHE A 77 -3.694 3.643 -15.232 1.00 74.12 H new ATOM 0 HB3 PHE A 77 -3.912 2.801 -13.711 1.00 74.12 H new ATOM 0 HD1 PHE A 77 -1.579 5.612 -14.461 1.00 64.21 H new ATOM 0 HD2 PHE A 77 -5.083 4.349 -12.395 1.00 33.54 H new ATOM 0 HE1 PHE A 77 -1.656 7.765 -13.281 1.00 74.02 H new ATOM 0 HE2 PHE A 77 -5.164 6.501 -11.215 1.00 74.10 H new ATOM 0 HZ PHE A 77 -3.450 8.213 -11.653 1.00 43.32 H new ATOM 1293 N ALA A 78 -2.126 0.790 -15.452 1.00 10.02 N ATOM 1294 CA ALA A 78 -2.200 -0.663 -15.535 1.00 33.34 C ATOM 1295 C ALA A 78 -0.859 -1.302 -15.192 1.00 23.01 C ATOM 1296 O ALA A 78 -0.804 -2.314 -14.494 1.00 64.01 O ATOM 1297 CB ALA A 78 -2.651 -1.090 -16.924 1.00 21.43 C ATOM 0 H ALA A 78 -2.241 1.270 -16.345 1.00 10.02 H new ATOM 0 HA ALA A 78 -2.933 -1.007 -14.805 1.00 33.34 H new ATOM 0 HB1 ALA A 78 -2.702 -2.178 -16.972 1.00 21.43 H new ATOM 0 HB2 ALA A 78 -3.636 -0.671 -17.132 1.00 21.43 H new ATOM 0 HB3 ALA A 78 -1.939 -0.727 -17.665 1.00 21.43 H new ATOM 1303 N GLU A 79 0.220 -0.704 -15.688 1.00 21.20 N ATOM 1304 CA GLU A 79 1.561 -1.217 -15.435 1.00 24.25 C ATOM 1305 C GLU A 79 2.074 -0.752 -14.075 1.00 11.24 C ATOM 1306 O GLU A 79 2.974 -1.361 -13.496 1.00 25.20 O ATOM 1307 CB GLU A 79 2.522 -0.764 -16.536 1.00 55.42 C ATOM 1308 CG GLU A 79 3.987 -0.913 -16.165 1.00 64.14 C ATOM 1309 CD GLU A 79 4.896 -0.945 -17.379 1.00 51.52 C ATOM 1310 OE1 GLU A 79 4.711 -1.836 -18.235 1.00 3.44 O ATOM 1311 OE2 GLU A 79 5.791 -0.079 -17.474 1.00 31.03 O ATOM 0 H GLU A 79 0.191 0.135 -16.267 1.00 21.20 H new ATOM 0 HA GLU A 79 1.510 -2.306 -15.433 1.00 24.25 H new ATOM 0 HB2 GLU A 79 2.324 -1.341 -17.439 1.00 55.42 H new ATOM 0 HB3 GLU A 79 2.321 0.280 -16.775 1.00 55.42 H new ATOM 0 HG2 GLU A 79 4.280 -0.086 -15.518 1.00 64.14 H new ATOM 0 HG3 GLU A 79 4.121 -1.830 -15.591 1.00 64.14 H new ATOM 1318 N LEU A 80 1.495 0.332 -13.570 1.00 54.12 N ATOM 1319 CA LEU A 80 1.892 0.881 -12.278 1.00 61.03 C ATOM 1320 C LEU A 80 1.894 -0.202 -11.204 1.00 12.31 C ATOM 1321 O LEU A 80 2.787 -0.249 -10.357 1.00 33.43 O ATOM 1322 CB LEU A 80 0.950 2.016 -11.873 1.00 5.31 C ATOM 1323 CG LEU A 80 1.403 2.874 -10.690 1.00 72.43 C ATOM 1324 CD1 LEU A 80 0.700 4.222 -10.709 1.00 44.31 C ATOM 1325 CD2 LEU A 80 1.140 2.152 -9.377 1.00 31.52 C ATOM 0 H LEU A 80 0.749 0.848 -14.036 1.00 54.12 H new ATOM 0 HA LEU A 80 2.904 1.274 -12.373 1.00 61.03 H new ATOM 0 HB2 LEU A 80 0.807 2.668 -12.735 1.00 5.31 H new ATOM 0 HB3 LEU A 80 -0.023 1.586 -11.633 1.00 5.31 H new ATOM 0 HG LEU A 80 2.476 3.045 -10.779 1.00 72.43 H new ATOM 0 HD11 LEU A 80 1.034 4.819 -9.860 1.00 44.31 H new ATOM 0 HD12 LEU A 80 0.938 4.744 -11.636 1.00 44.31 H new ATOM 0 HD13 LEU A 80 -0.378 4.071 -10.644 1.00 44.31 H new ATOM 0 HD21 LEU A 80 1.468 2.777 -8.546 1.00 31.52 H new ATOM 0 HD22 LEU A 80 0.073 1.950 -9.280 1.00 31.52 H new ATOM 0 HD23 LEU A 80 1.690 1.211 -9.363 1.00 31.52 H new ATOM 1337 N LEU A 81 0.890 -1.071 -11.246 1.00 11.44 N ATOM 1338 CA LEU A 81 0.776 -2.155 -10.277 1.00 22.42 C ATOM 1339 C LEU A 81 1.858 -3.206 -10.506 1.00 40.03 C ATOM 1340 O LEU A 81 2.316 -3.854 -9.566 1.00 33.31 O ATOM 1341 CB LEU A 81 -0.607 -2.803 -10.367 1.00 2.14 C ATOM 1342 CG LEU A 81 -0.820 -3.773 -11.529 1.00 45.24 C ATOM 1343 CD1 LEU A 81 -0.494 -5.196 -11.104 1.00 21.12 C ATOM 1344 CD2 LEU A 81 -2.248 -3.682 -12.045 1.00 34.11 C ATOM 0 H LEU A 81 0.143 -1.046 -11.941 1.00 11.44 H new ATOM 0 HA LEU A 81 0.909 -1.734 -9.281 1.00 22.42 H new ATOM 0 HB2 LEU A 81 -0.797 -3.336 -9.436 1.00 2.14 H new ATOM 0 HB3 LEU A 81 -1.353 -2.011 -10.440 1.00 2.14 H new ATOM 0 HG LEU A 81 -0.145 -3.494 -12.338 1.00 45.24 H new ATOM 0 HD11 LEU A 81 -0.652 -5.872 -11.944 1.00 21.12 H new ATOM 0 HD12 LEU A 81 0.547 -5.251 -10.784 1.00 21.12 H new ATOM 0 HD13 LEU A 81 -1.143 -5.487 -10.278 1.00 21.12 H new ATOM 0 HD21 LEU A 81 -2.381 -4.379 -12.872 1.00 34.11 H new ATOM 0 HD22 LEU A 81 -2.942 -3.934 -11.243 1.00 34.11 H new ATOM 0 HD23 LEU A 81 -2.446 -2.667 -12.391 1.00 34.11 H new ATOM 1356 N GLU A 82 2.263 -3.366 -11.762 1.00 61.52 N ATOM 1357 CA GLU A 82 3.292 -4.338 -12.114 1.00 4.50 C ATOM 1358 C GLU A 82 4.677 -3.830 -11.720 1.00 34.12 C ATOM 1359 O GLU A 82 5.462 -4.553 -11.108 1.00 22.12 O ATOM 1360 CB GLU A 82 3.254 -4.634 -13.615 1.00 1.33 C ATOM 1361 CG GLU A 82 1.992 -5.352 -14.061 1.00 53.12 C ATOM 1362 CD GLU A 82 2.112 -6.860 -13.960 1.00 32.11 C ATOM 1363 OE1 GLU A 82 1.604 -7.430 -12.971 1.00 42.11 O ATOM 1364 OE2 GLU A 82 2.713 -7.470 -14.868 1.00 70.42 O ATOM 0 H GLU A 82 1.895 -2.836 -12.552 1.00 61.52 H new ATOM 0 HA GLU A 82 3.090 -5.258 -11.565 1.00 4.50 H new ATOM 0 HB2 GLU A 82 3.342 -3.697 -14.164 1.00 1.33 H new ATOM 0 HB3 GLU A 82 4.120 -5.241 -13.879 1.00 1.33 H new ATOM 0 HG2 GLU A 82 1.153 -5.016 -13.451 1.00 53.12 H new ATOM 0 HG3 GLU A 82 1.767 -5.077 -15.092 1.00 53.12 H new ATOM 1371 N GLN A 83 4.967 -2.583 -12.076 1.00 53.11 N ATOM 1372 CA GLN A 83 6.256 -1.979 -11.761 1.00 30.21 C ATOM 1373 C GLN A 83 6.461 -1.890 -10.252 1.00 61.22 C ATOM 1374 O GLN A 83 7.592 -1.809 -9.775 1.00 3.04 O ATOM 1375 CB GLN A 83 6.357 -0.586 -12.384 1.00 74.03 C ATOM 1376 CG GLN A 83 7.626 -0.371 -13.192 1.00 61.45 C ATOM 1377 CD GLN A 83 8.141 1.051 -13.103 1.00 4.51 C ATOM 1378 OE1 GLN A 83 8.390 1.699 -14.120 1.00 65.02 O ATOM 1379 NE2 GLN A 83 8.304 1.547 -11.882 1.00 22.34 N ATOM 0 H GLN A 83 4.327 -1.971 -12.583 1.00 53.11 H new ATOM 0 HA GLN A 83 7.038 -2.613 -12.179 1.00 30.21 H new ATOM 0 HB2 GLN A 83 5.494 -0.422 -13.029 1.00 74.03 H new ATOM 0 HB3 GLN A 83 6.310 0.161 -11.592 1.00 74.03 H new ATOM 0 HG2 GLN A 83 8.397 -1.055 -12.839 1.00 61.45 H new ATOM 0 HG3 GLN A 83 7.434 -0.619 -14.236 1.00 61.45 H new ATOM 0 HE21 GLN A 83 8.085 0.975 -11.066 1.00 22.34 H new ATOM 0 HE22 GLN A 83 8.648 2.500 -11.760 1.00 22.34 H new ATOM 1388 N GLN A 84 5.360 -1.906 -9.508 1.00 52.33 N ATOM 1389 CA GLN A 84 5.420 -1.825 -8.054 1.00 31.53 C ATOM 1390 C GLN A 84 6.407 -2.844 -7.493 1.00 2.43 C ATOM 1391 O GLN A 84 7.024 -2.618 -6.451 1.00 72.11 O ATOM 1392 CB GLN A 84 4.033 -2.057 -7.451 1.00 40.33 C ATOM 1393 CG GLN A 84 3.978 -1.835 -5.948 1.00 72.14 C ATOM 1394 CD GLN A 84 2.842 -2.592 -5.288 1.00 64.21 C ATOM 1395 OE1 GLN A 84 1.979 -3.153 -5.964 1.00 0.32 O ATOM 1396 NE2 GLN A 84 2.838 -2.613 -3.960 1.00 55.14 N ATOM 0 H GLN A 84 4.416 -1.974 -9.888 1.00 52.33 H new ATOM 0 HA GLN A 84 5.763 -0.826 -7.785 1.00 31.53 H new ATOM 0 HB2 GLN A 84 3.319 -1.390 -7.935 1.00 40.33 H new ATOM 0 HB3 GLN A 84 3.716 -3.076 -7.671 1.00 40.33 H new ATOM 0 HG2 GLN A 84 4.923 -2.146 -5.504 1.00 72.14 H new ATOM 0 HG3 GLN A 84 3.866 -0.770 -5.746 1.00 72.14 H new ATOM 0 HE21 GLN A 84 3.573 -2.134 -3.440 1.00 55.14 H new ATOM 0 HE22 GLN A 84 2.100 -3.108 -3.460 1.00 55.14 H new ATOM 1405 N LYS A 85 6.552 -3.966 -8.190 1.00 3.45 N ATOM 1406 CA LYS A 85 7.465 -5.019 -7.763 1.00 22.34 C ATOM 1407 C LYS A 85 8.906 -4.671 -8.123 1.00 54.53 C ATOM 1408 O LYS A 85 9.812 -4.812 -7.304 1.00 21.50 O ATOM 1409 CB LYS A 85 7.075 -6.352 -8.406 1.00 44.13 C ATOM 1410 CG LYS A 85 5.888 -7.025 -7.739 1.00 64.35 C ATOM 1411 CD LYS A 85 5.665 -8.427 -8.283 1.00 13.34 C ATOM 1412 CE LYS A 85 6.426 -9.466 -7.474 1.00 11.11 C ATOM 1413 NZ LYS A 85 6.308 -10.826 -8.068 1.00 31.42 N ATOM 0 H LYS A 85 6.048 -4.169 -9.053 1.00 3.45 H new ATOM 0 HA LYS A 85 7.393 -5.110 -6.679 1.00 22.34 H new ATOM 0 HB2 LYS A 85 6.843 -6.184 -9.458 1.00 44.13 H new ATOM 0 HB3 LYS A 85 7.931 -7.026 -8.372 1.00 44.13 H new ATOM 0 HG2 LYS A 85 6.053 -7.073 -6.663 1.00 64.35 H new ATOM 0 HG3 LYS A 85 4.992 -6.425 -7.898 1.00 64.35 H new ATOM 0 HD2 LYS A 85 4.600 -8.660 -8.266 1.00 13.34 H new ATOM 0 HD3 LYS A 85 5.984 -8.470 -9.324 1.00 13.34 H new ATOM 0 HE2 LYS A 85 7.477 -9.184 -7.418 1.00 11.11 H new ATOM 0 HE3 LYS A 85 6.045 -9.481 -6.453 1.00 11.11 H new ATOM 0 HZ1 LYS A 85 6.840 -11.506 -7.488 1.00 31.42 H new ATOM 0 HZ2 LYS A 85 5.307 -11.106 -8.098 1.00 31.42 H new ATOM 0 HZ3 LYS A 85 6.694 -10.818 -9.033 1.00 31.42 H new ATOM 1427 N ASN A 86 9.108 -4.212 -9.354 1.00 62.34 N ATOM 1428 CA ASN A 86 10.439 -3.842 -9.823 1.00 32.22 C ATOM 1429 C ASN A 86 10.987 -2.661 -9.027 1.00 73.32 C ATOM 1430 O ASN A 86 12.191 -2.560 -8.798 1.00 4.21 O ATOM 1431 CB ASN A 86 10.399 -3.494 -11.312 1.00 43.21 C ATOM 1432 CG ASN A 86 11.774 -3.180 -11.869 1.00 44.21 C ATOM 1433 OD1 ASN A 86 12.229 -2.037 -11.822 1.00 42.22 O ATOM 1434 ND2 ASN A 86 12.444 -4.196 -12.401 1.00 34.45 N ATOM 0 H ASN A 86 8.368 -4.087 -10.044 1.00 62.34 H new ATOM 0 HA ASN A 86 11.100 -4.696 -9.674 1.00 32.22 H new ATOM 0 HB2 ASN A 86 9.967 -4.328 -11.866 1.00 43.21 H new ATOM 0 HB3 ASN A 86 9.744 -2.637 -11.465 1.00 43.21 H new ATOM 0 HD21 ASN A 86 13.374 -4.045 -12.792 1.00 34.45 H new ATOM 0 HD22 ASN A 86 12.029 -5.127 -12.419 1.00 34.45 H new ATOM 1441 N ALA A 87 10.093 -1.771 -8.609 1.00 31.35 N ATOM 1442 CA ALA A 87 10.486 -0.599 -7.836 1.00 71.24 C ATOM 1443 C ALA A 87 11.278 -0.999 -6.596 1.00 71.01 C ATOM 1444 O ALA A 87 12.385 -0.510 -6.372 1.00 33.12 O ATOM 1445 CB ALA A 87 9.259 0.210 -7.443 1.00 74.33 C ATOM 0 H ALA A 87 9.092 -1.839 -8.793 1.00 31.35 H new ATOM 0 HA ALA A 87 11.130 0.019 -8.462 1.00 71.24 H new ATOM 0 HB1 ALA A 87 9.568 1.082 -6.866 1.00 74.33 H new ATOM 0 HB2 ALA A 87 8.735 0.536 -8.341 1.00 74.33 H new ATOM 0 HB3 ALA A 87 8.594 -0.408 -6.839 1.00 74.33 H new ATOM 1451 N GLN A 88 10.703 -1.890 -5.794 1.00 40.43 N ATOM 1452 CA GLN A 88 11.356 -2.353 -4.576 1.00 30.23 C ATOM 1453 C GLN A 88 12.056 -3.688 -4.807 1.00 74.43 C ATOM 1454 O GLN A 88 12.126 -4.528 -3.910 1.00 31.14 O ATOM 1455 CB GLN A 88 10.335 -2.488 -3.445 1.00 20.33 C ATOM 1456 CG GLN A 88 9.166 -3.398 -3.786 1.00 30.12 C ATOM 1457 CD GLN A 88 8.720 -4.242 -2.608 1.00 11.42 C ATOM 1458 OE1 GLN A 88 9.365 -5.231 -2.258 1.00 12.51 O ATOM 1459 NE2 GLN A 88 7.611 -3.854 -1.988 1.00 60.43 N ATOM 0 H GLN A 88 9.787 -2.305 -5.966 1.00 40.43 H new ATOM 0 HA GLN A 88 12.106 -1.615 -4.293 1.00 30.23 H new ATOM 0 HB2 GLN A 88 10.837 -2.873 -2.557 1.00 20.33 H new ATOM 0 HB3 GLN A 88 9.953 -1.499 -3.192 1.00 20.33 H new ATOM 0 HG2 GLN A 88 8.328 -2.793 -4.132 1.00 30.12 H new ATOM 0 HG3 GLN A 88 9.449 -4.052 -4.611 1.00 30.12 H new ATOM 0 HE21 GLN A 88 7.108 -3.028 -2.312 1.00 60.43 H new ATOM 0 HE22 GLN A 88 7.263 -4.382 -1.188 1.00 60.43 H new ATOM 1468 N PHE A 89 12.572 -3.878 -6.017 1.00 72.30 N ATOM 1469 CA PHE A 89 13.265 -5.113 -6.367 1.00 41.52 C ATOM 1470 C PHE A 89 12.318 -6.307 -6.296 1.00 64.13 C ATOM 1471 O PHE A 89 11.266 -6.261 -5.659 1.00 3.44 O ATOM 1472 CB PHE A 89 14.457 -5.336 -5.434 1.00 13.44 C ATOM 1473 CG PHE A 89 15.785 -5.072 -6.083 1.00 71.15 C ATOM 1474 CD1 PHE A 89 15.994 -3.916 -6.819 1.00 23.54 C ATOM 1475 CD2 PHE A 89 16.824 -5.980 -5.960 1.00 30.44 C ATOM 1476 CE1 PHE A 89 17.216 -3.671 -7.418 1.00 15.34 C ATOM 1477 CE2 PHE A 89 18.047 -5.740 -6.556 1.00 3.21 C ATOM 1478 CZ PHE A 89 18.243 -4.584 -7.287 1.00 20.22 C ATOM 0 H PHE A 89 12.524 -3.193 -6.771 1.00 72.30 H new ATOM 0 HA PHE A 89 13.627 -5.020 -7.391 1.00 41.52 H new ATOM 0 HB2 PHE A 89 14.352 -4.689 -4.563 1.00 13.44 H new ATOM 0 HB3 PHE A 89 14.437 -6.364 -5.072 1.00 13.44 H new ATOM 0 HD1 PHE A 89 15.194 -3.199 -6.926 1.00 23.54 H new ATOM 0 HD2 PHE A 89 16.676 -6.886 -5.391 1.00 30.44 H new ATOM 0 HE1 PHE A 89 17.367 -2.766 -7.988 1.00 15.34 H new ATOM 0 HE2 PHE A 89 18.849 -6.455 -6.451 1.00 3.21 H new ATOM 0 HZ PHE A 89 19.198 -4.395 -7.755 1.00 20.22 H new ATOM 1488 N PRO A 90 12.700 -7.404 -6.967 1.00 75.14 N ATOM 1489 CA PRO A 90 11.900 -8.632 -6.997 1.00 35.14 C ATOM 1490 C PRO A 90 11.881 -9.344 -5.648 1.00 61.13 C ATOM 1491 O PRO A 90 12.682 -10.244 -5.399 1.00 43.24 O ATOM 1492 CB PRO A 90 12.608 -9.492 -8.046 1.00 22.32 C ATOM 1493 CG PRO A 90 14.015 -9.002 -8.051 1.00 12.43 C ATOM 1494 CD PRO A 90 13.941 -7.530 -7.749 1.00 62.30 C ATOM 0 HA PRO A 90 10.854 -8.431 -7.227 1.00 35.14 H new ATOM 0 HB2 PRO A 90 12.558 -10.550 -7.789 1.00 22.32 H new ATOM 0 HB3 PRO A 90 12.146 -9.380 -9.027 1.00 22.32 H new ATOM 0 HG2 PRO A 90 14.613 -9.524 -7.304 1.00 12.43 H new ATOM 0 HG3 PRO A 90 14.487 -9.179 -9.018 1.00 12.43 H new ATOM 0 HD2 PRO A 90 14.809 -7.192 -7.183 1.00 62.30 H new ATOM 0 HD3 PRO A 90 13.904 -6.934 -8.661 1.00 62.30 H new ATOM 1502 N GLY A 91 10.960 -8.935 -4.781 1.00 23.15 N ATOM 1503 CA GLY A 91 10.855 -9.545 -3.468 1.00 71.21 C ATOM 1504 C GLY A 91 9.485 -9.352 -2.847 1.00 65.54 C ATOM 1505 O GLY A 91 9.079 -8.227 -2.559 1.00 11.24 O ATOM 0 H GLY A 91 10.285 -8.193 -4.964 1.00 23.15 H new ATOM 0 HA2 GLY A 91 11.067 -10.611 -3.548 1.00 71.21 H new ATOM 0 HA3 GLY A 91 11.612 -9.118 -2.811 1.00 71.21 H new ATOM 1509 N LYS A 92 8.770 -10.453 -2.643 1.00 22.44 N ATOM 1510 CA LYS A 92 7.438 -10.402 -2.053 1.00 32.03 C ATOM 1511 C LYS A 92 6.478 -9.621 -2.944 1.00 73.03 C ATOM 1512 O LYS A 92 6.322 -9.930 -4.126 1.00 44.11 O ATOM 1513 CB LYS A 92 7.497 -9.761 -0.664 1.00 73.22 C ATOM 1514 CG LYS A 92 6.989 -10.666 0.445 1.00 1.22 C ATOM 1515 CD LYS A 92 5.489 -10.885 0.344 1.00 50.04 C ATOM 1516 CE LYS A 92 5.020 -11.977 1.292 1.00 32.52 C ATOM 1517 NZ LYS A 92 4.510 -11.417 2.574 1.00 32.43 N ATOM 0 H LYS A 92 9.091 -11.392 -2.878 1.00 22.44 H new ATOM 0 HA LYS A 92 7.070 -11.424 -1.960 1.00 32.03 H new ATOM 0 HB2 LYS A 92 8.527 -9.478 -0.447 1.00 73.22 H new ATOM 0 HB3 LYS A 92 6.909 -8.843 -0.671 1.00 73.22 H new ATOM 0 HG2 LYS A 92 7.502 -11.627 0.395 1.00 1.22 H new ATOM 0 HG3 LYS A 92 7.229 -10.226 1.413 1.00 1.22 H new ATOM 0 HD2 LYS A 92 4.968 -9.955 0.573 1.00 50.04 H new ATOM 0 HD3 LYS A 92 5.228 -11.153 -0.680 1.00 50.04 H new ATOM 0 HE2 LYS A 92 4.234 -12.561 0.813 1.00 32.52 H new ATOM 0 HE3 LYS A 92 5.845 -12.659 1.496 1.00 32.52 H new ATOM 0 HZ1 LYS A 92 4.200 -12.193 3.193 1.00 32.43 H new ATOM 0 HZ2 LYS A 92 5.267 -10.881 3.044 1.00 32.43 H new ATOM 0 HZ3 LYS A 92 3.706 -10.786 2.382 1.00 32.43 H new TER 1531 LYS A 92