USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 HIS : no HE2:sc= -0.0899 K(o=-0.09,f=-1.2) USER MOD Single : A 1 HIS N :NH3+ 165:sc= -0.0474 (180deg=-0.235) 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 -63:sc= 0.51 USER MOD Single : A 9 TYR OH : rot 130:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.409 K(o=0.41,f=-8.6!) USER MOD Single : A 17 ASN : amide:sc= -0.77 K(o=-0.77,f=-5.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.11 K(o=-3.1,f=-1.8) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 0.177 (180deg=-0.226) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 29 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.82) USER MOD Single : A 38 THR OG1 : rot -43:sc= 0.138 USER MOD Single : A 39 ASN : amide:sc= -3.76! C(o=-3.8!,f=-5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.29) USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00228 USER MOD Single : A 60 SER OG : rot 180:sc=-3.26e-05 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.38) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 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 1.329 0.000 0.000 1.00 3.00 N ATOM 2 CA HIS A 1 2.094 -0.001 -1.242 1.00 72.12 C ATOM 3 C HIS A 1 1.865 -1.294 -2.020 1.00 10.32 C ATOM 4 O HIS A 1 2.734 -1.741 -2.767 1.00 71.53 O ATOM 5 CB HIS A 1 3.584 0.174 -0.949 1.00 1.23 C ATOM 6 CG HIS A 1 4.166 -0.932 -0.123 1.00 41.24 C ATOM 7 ND1 HIS A 1 4.598 -2.125 -0.662 1.00 20.51 N ATOM 8 CD2 HIS A 1 4.388 -1.019 1.209 1.00 63.51 C ATOM 9 CE1 HIS A 1 5.059 -2.900 0.304 1.00 60.33 C ATOM 10 NE2 HIS A 1 4.943 -2.252 1.449 1.00 65.31 N ATOM 0 H1 HIS A 1 1.684 0.751 0.626 1.00 3.00 H new ATOM 0 H2 HIS A 1 0.325 0.171 -0.211 1.00 3.00 H new ATOM 0 H3 HIS A 1 1.432 -0.921 0.472 1.00 3.00 H new ATOM 0 HA HIS A 1 1.751 0.835 -1.851 1.00 72.12 H new ATOM 0 HB2 HIS A 1 4.127 0.236 -1.892 1.00 1.23 H new ATOM 0 HB3 HIS A 1 3.735 1.121 -0.431 1.00 1.23 H new ATOM 0 HD1 HIS A 1 4.567 -2.371 -1.651 1.00 20.51 H new ATOM 0 HD2 HIS A 1 4.169 -0.260 1.946 1.00 63.51 H new ATOM 0 HE1 HIS A 1 5.462 -3.894 0.179 1.00 60.33 H new ATOM 18 N MET A 2 0.690 -1.888 -1.837 1.00 65.34 N ATOM 19 CA MET A 2 0.348 -3.129 -2.523 1.00 21.35 C ATOM 20 C MET A 2 -0.414 -2.845 -3.813 1.00 34.42 C ATOM 21 O MET A 2 -0.836 -1.715 -4.061 1.00 0.12 O ATOM 22 CB MET A 2 -0.489 -4.027 -1.609 1.00 25.10 C ATOM 23 CG MET A 2 -1.783 -3.381 -1.142 1.00 21.32 C ATOM 24 SD MET A 2 -2.818 -4.510 -0.190 1.00 11.31 S ATOM 25 CE MET A 2 -3.703 -5.346 -1.503 1.00 74.30 C ATOM 0 H MET A 2 -0.040 -1.531 -1.221 1.00 65.34 H new ATOM 0 HA MET A 2 1.275 -3.643 -2.776 1.00 21.35 H new ATOM 0 HB2 MET A 2 -0.724 -4.951 -2.137 1.00 25.10 H new ATOM 0 HB3 MET A 2 0.106 -4.300 -0.738 1.00 25.10 H new ATOM 0 HG2 MET A 2 -1.550 -2.507 -0.533 1.00 21.32 H new ATOM 0 HG3 MET A 2 -2.341 -3.026 -2.009 1.00 21.32 H new ATOM 0 HE1 MET A 2 -4.386 -6.079 -1.073 1.00 74.30 H new ATOM 0 HE2 MET A 2 -4.271 -4.617 -2.081 1.00 74.30 H new ATOM 0 HE3 MET A 2 -2.992 -5.852 -2.156 1.00 74.30 H new ATOM 35 N LEU A 3 -0.588 -3.877 -4.631 1.00 70.22 N ATOM 36 CA LEU A 3 -1.300 -3.738 -5.897 1.00 20.40 C ATOM 37 C LEU A 3 -2.809 -3.764 -5.678 1.00 54.03 C ATOM 38 O LEU A 3 -3.294 -4.310 -4.688 1.00 22.04 O ATOM 39 CB LEU A 3 -0.893 -4.856 -6.859 1.00 35.44 C ATOM 40 CG LEU A 3 0.493 -4.727 -7.491 1.00 31.14 C ATOM 41 CD1 LEU A 3 0.918 -6.045 -8.120 1.00 13.21 C ATOM 42 CD2 LEU A 3 0.505 -3.611 -8.525 1.00 64.32 C ATOM 0 H LEU A 3 -0.246 -4.819 -4.441 1.00 70.22 H new ATOM 0 HA LEU A 3 -1.031 -2.776 -6.333 1.00 20.40 H new ATOM 0 HB2 LEU A 3 -0.939 -5.804 -6.323 1.00 35.44 H new ATOM 0 HB3 LEU A 3 -1.632 -4.906 -7.659 1.00 35.44 H new ATOM 0 HG LEU A 3 1.207 -4.476 -6.707 1.00 31.14 H new ATOM 0 HD11 LEU A 3 1.907 -5.934 -8.565 1.00 13.21 H new ATOM 0 HD12 LEU A 3 0.950 -6.820 -7.354 1.00 13.21 H new ATOM 0 HD13 LEU A 3 0.202 -6.327 -8.892 1.00 13.21 H new ATOM 0 HD21 LEU A 3 1.499 -3.533 -8.965 1.00 64.32 H new ATOM 0 HD22 LEU A 3 -0.221 -3.832 -9.307 1.00 64.32 H new ATOM 0 HD23 LEU A 3 0.246 -2.667 -8.045 1.00 64.32 H new ATOM 54 N ALA A 4 -3.547 -3.171 -6.611 1.00 73.33 N ATOM 55 CA ALA A 4 -5.002 -3.130 -6.523 1.00 4.11 C ATOM 56 C ALA A 4 -5.610 -4.493 -6.836 1.00 3.13 C ATOM 57 O ALA A 4 -4.965 -5.348 -7.443 1.00 4.20 O ATOM 58 CB ALA A 4 -5.558 -2.073 -7.465 1.00 42.23 C ATOM 0 H ALA A 4 -3.161 -2.712 -7.436 1.00 73.33 H new ATOM 0 HA ALA A 4 -5.272 -2.868 -5.500 1.00 4.11 H new ATOM 0 HB1 ALA A 4 -6.645 -2.053 -7.389 1.00 42.23 H new ATOM 0 HB2 ALA A 4 -5.158 -1.096 -7.193 1.00 42.23 H new ATOM 0 HB3 ALA A 4 -5.270 -2.311 -8.489 1.00 42.23 H new ATOM 64 N LYS A 5 -6.855 -4.690 -6.417 1.00 31.14 N ATOM 65 CA LYS A 5 -7.552 -5.949 -6.652 1.00 63.21 C ATOM 66 C LYS A 5 -8.565 -5.807 -7.783 1.00 61.14 C ATOM 67 O LYS A 5 -9.758 -5.627 -7.541 1.00 23.24 O ATOM 68 CB LYS A 5 -8.258 -6.411 -5.376 1.00 30.54 C ATOM 69 CG LYS A 5 -8.509 -7.909 -5.327 1.00 40.35 C ATOM 70 CD LYS A 5 -7.331 -8.652 -4.721 1.00 63.44 C ATOM 71 CE LYS A 5 -7.316 -8.532 -3.205 1.00 43.23 C ATOM 72 NZ LYS A 5 -6.512 -9.613 -2.571 1.00 33.33 N ATOM 0 H LYS A 5 -7.403 -3.993 -5.912 1.00 31.14 H new ATOM 0 HA LYS A 5 -6.813 -6.696 -6.941 1.00 63.21 H new ATOM 0 HB2 LYS A 5 -7.656 -6.124 -4.514 1.00 30.54 H new ATOM 0 HB3 LYS A 5 -9.211 -5.889 -5.288 1.00 30.54 H new ATOM 0 HG2 LYS A 5 -9.407 -8.109 -4.742 1.00 40.35 H new ATOM 0 HG3 LYS A 5 -8.695 -8.281 -6.335 1.00 40.35 H new ATOM 0 HD2 LYS A 5 -7.379 -9.704 -5.003 1.00 63.44 H new ATOM 0 HD3 LYS A 5 -6.401 -8.255 -5.128 1.00 63.44 H new ATOM 0 HE2 LYS A 5 -6.908 -7.562 -2.922 1.00 43.23 H new ATOM 0 HE3 LYS A 5 -8.338 -8.570 -2.828 1.00 43.23 H new ATOM 0 HZ1 LYS A 5 -6.527 -9.496 -1.538 1.00 33.33 H new ATOM 0 HZ2 LYS A 5 -6.916 -10.538 -2.820 1.00 33.33 H new ATOM 0 HZ3 LYS A 5 -5.531 -9.561 -2.911 1.00 33.33 H new ATOM 86 N GLU A 6 -8.081 -5.890 -9.019 1.00 34.51 N ATOM 87 CA GLU A 6 -8.947 -5.772 -10.187 1.00 4.43 C ATOM 88 C GLU A 6 -9.501 -7.134 -10.594 1.00 41.30 C ATOM 89 O GLU A 6 -9.065 -8.169 -10.091 1.00 23.13 O ATOM 90 CB GLU A 6 -8.180 -5.150 -11.356 1.00 23.30 C ATOM 91 CG GLU A 6 -6.961 -5.953 -11.780 1.00 11.13 C ATOM 92 CD GLU A 6 -6.395 -5.495 -13.110 1.00 24.13 C ATOM 93 OE1 GLU A 6 -5.521 -6.201 -13.656 1.00 41.11 O ATOM 94 OE2 GLU A 6 -6.824 -4.432 -13.604 1.00 12.02 O ATOM 0 H GLU A 6 -7.096 -6.038 -9.237 1.00 34.51 H new ATOM 0 HA GLU A 6 -9.783 -5.124 -9.924 1.00 4.43 H new ATOM 0 HB2 GLU A 6 -8.852 -5.049 -12.208 1.00 23.30 H new ATOM 0 HB3 GLU A 6 -7.864 -4.145 -11.078 1.00 23.30 H new ATOM 0 HG2 GLU A 6 -6.191 -5.869 -11.013 1.00 11.13 H new ATOM 0 HG3 GLU A 6 -7.230 -7.007 -11.848 1.00 11.13 H new ATOM 101 N ASP A 7 -10.465 -7.124 -11.508 1.00 21.01 N ATOM 102 CA ASP A 7 -11.079 -8.358 -11.984 1.00 55.21 C ATOM 103 C ASP A 7 -10.669 -8.649 -13.424 1.00 51.33 C ATOM 104 O ASP A 7 -10.151 -7.776 -14.121 1.00 64.00 O ATOM 105 CB ASP A 7 -12.603 -8.266 -11.883 1.00 41.25 C ATOM 106 CG ASP A 7 -13.068 -7.858 -10.499 1.00 71.04 C ATOM 107 OD1 ASP A 7 -12.373 -8.192 -9.517 1.00 3.10 O ATOM 108 OD2 ASP A 7 -14.127 -7.204 -10.399 1.00 30.24 O ATOM 0 H ASP A 7 -10.838 -6.276 -11.934 1.00 21.01 H new ATOM 0 HA ASP A 7 -10.729 -9.176 -11.354 1.00 55.21 H new ATOM 0 HB2 ASP A 7 -12.970 -7.545 -12.614 1.00 41.25 H new ATOM 0 HB3 ASP A 7 -13.040 -9.231 -12.140 1.00 41.25 H new ATOM 113 N TYR A 8 -10.904 -9.880 -13.863 1.00 64.24 N ATOM 114 CA TYR A 8 -10.555 -10.287 -15.219 1.00 71.44 C ATOM 115 C TYR A 8 -11.290 -9.436 -16.250 1.00 15.11 C ATOM 116 O TYR A 8 -10.793 -9.209 -17.353 1.00 51.40 O ATOM 117 CB TYR A 8 -10.887 -11.765 -15.432 1.00 34.31 C ATOM 118 CG TYR A 8 -10.307 -12.675 -14.373 1.00 12.25 C ATOM 119 CD1 TYR A 8 -11.051 -13.724 -13.846 1.00 53.24 C ATOM 120 CD2 TYR A 8 -9.016 -12.485 -13.897 1.00 3.21 C ATOM 121 CE1 TYR A 8 -10.526 -14.557 -12.878 1.00 2.02 C ATOM 122 CE2 TYR A 8 -8.482 -13.314 -12.930 1.00 4.13 C ATOM 123 CZ TYR A 8 -9.240 -14.348 -12.423 1.00 74.31 C ATOM 124 OH TYR A 8 -8.712 -15.175 -11.458 1.00 74.55 O ATOM 0 H TYR A 8 -11.335 -10.613 -13.300 1.00 64.24 H new ATOM 0 HA TYR A 8 -9.483 -10.139 -15.350 1.00 71.44 H new ATOM 0 HB2 TYR A 8 -11.970 -11.886 -15.450 1.00 34.31 H new ATOM 0 HB3 TYR A 8 -10.515 -12.075 -16.409 1.00 34.31 H new ATOM 0 HD1 TYR A 8 -12.058 -13.891 -14.200 1.00 53.24 H new ATOM 0 HD2 TYR A 8 -8.419 -11.675 -14.290 1.00 3.21 H new ATOM 0 HE1 TYR A 8 -11.118 -15.367 -12.479 1.00 2.02 H new ATOM 0 HE2 TYR A 8 -7.476 -13.153 -12.573 1.00 4.13 H new ATOM 0 HH TYR A 8 -9.236 -15.092 -10.634 1.00 74.55 H new ATOM 134 N TYR A 9 -12.478 -8.967 -15.881 1.00 65.44 N ATOM 135 CA TYR A 9 -13.284 -8.142 -16.773 1.00 62.20 C ATOM 136 C TYR A 9 -12.469 -6.974 -17.319 1.00 51.32 C ATOM 137 O TYR A 9 -12.554 -6.644 -18.502 1.00 3.12 O ATOM 138 CB TYR A 9 -14.519 -7.618 -16.039 1.00 32.10 C ATOM 139 CG TYR A 9 -15.401 -8.712 -15.479 1.00 45.04 C ATOM 140 CD1 TYR A 9 -15.329 -9.071 -14.139 1.00 13.31 C ATOM 141 CD2 TYR A 9 -16.303 -9.387 -16.291 1.00 75.31 C ATOM 142 CE1 TYR A 9 -16.132 -10.070 -13.623 1.00 41.12 C ATOM 143 CE2 TYR A 9 -17.111 -10.387 -15.784 1.00 10.33 C ATOM 144 CZ TYR A 9 -17.021 -10.725 -14.449 1.00 55.54 C ATOM 145 OH TYR A 9 -17.823 -11.720 -13.941 1.00 32.54 O ATOM 0 H TYR A 9 -12.903 -9.144 -14.971 1.00 65.44 H new ATOM 0 HA TYR A 9 -13.603 -8.762 -17.611 1.00 62.20 H new ATOM 0 HB2 TYR A 9 -14.199 -6.969 -15.224 1.00 32.10 H new ATOM 0 HB3 TYR A 9 -15.105 -7.005 -16.724 1.00 32.10 H new ATOM 0 HD1 TYR A 9 -14.633 -8.560 -13.489 1.00 13.31 H new ATOM 0 HD2 TYR A 9 -16.374 -9.126 -17.337 1.00 75.31 H new ATOM 0 HE1 TYR A 9 -16.064 -10.336 -12.579 1.00 41.12 H new ATOM 0 HE2 TYR A 9 -17.809 -10.901 -16.429 1.00 10.33 H new ATOM 0 HH TYR A 9 -18.753 -11.555 -14.201 1.00 32.54 H new ATOM 155 N GLN A 10 -11.680 -6.353 -16.448 1.00 52.43 N ATOM 156 CA GLN A 10 -10.850 -5.221 -16.843 1.00 2.24 C ATOM 157 C GLN A 10 -9.635 -5.688 -17.638 1.00 52.30 C ATOM 158 O GLN A 10 -9.249 -5.060 -18.625 1.00 30.43 O ATOM 159 CB GLN A 10 -10.396 -4.439 -15.608 1.00 73.42 C ATOM 160 CG GLN A 10 -11.524 -3.695 -14.911 1.00 22.40 C ATOM 161 CD GLN A 10 -12.247 -4.554 -13.892 1.00 54.05 C ATOM 162 OE1 GLN A 10 -11.755 -5.608 -13.490 1.00 61.53 O ATOM 163 NE2 GLN A 10 -13.424 -4.106 -13.469 1.00 25.01 N ATOM 0 H GLN A 10 -11.598 -6.614 -15.465 1.00 52.43 H new ATOM 0 HA GLN A 10 -11.448 -4.568 -17.479 1.00 2.24 H new ATOM 0 HB2 GLN A 10 -9.935 -5.128 -14.901 1.00 73.42 H new ATOM 0 HB3 GLN A 10 -9.628 -3.724 -15.903 1.00 73.42 H new ATOM 0 HG2 GLN A 10 -11.120 -2.812 -14.415 1.00 22.40 H new ATOM 0 HG3 GLN A 10 -12.238 -3.344 -15.656 1.00 22.40 H new ATOM 0 HE21 GLN A 10 -13.794 -3.226 -13.829 1.00 25.01 H new ATOM 0 HE22 GLN A 10 -13.957 -4.642 -12.784 1.00 25.01 H new ATOM 172 N ILE A 11 -9.037 -6.791 -17.202 1.00 74.42 N ATOM 173 CA ILE A 11 -7.867 -7.342 -17.874 1.00 72.04 C ATOM 174 C ILE A 11 -8.177 -7.680 -19.329 1.00 1.12 C ATOM 175 O ILE A 11 -7.276 -7.753 -20.166 1.00 74.40 O ATOM 176 CB ILE A 11 -7.353 -8.608 -17.163 1.00 51.34 C ATOM 177 CG1 ILE A 11 -7.007 -8.295 -15.706 1.00 60.40 C ATOM 178 CG2 ILE A 11 -6.142 -9.170 -17.892 1.00 42.24 C ATOM 179 CD1 ILE A 11 -6.822 -9.530 -14.851 1.00 41.41 C ATOM 0 H ILE A 11 -9.343 -7.321 -16.386 1.00 74.42 H new ATOM 0 HA ILE A 11 -7.093 -6.576 -17.838 1.00 72.04 H new ATOM 0 HB ILE A 11 -8.142 -9.360 -17.176 1.00 51.34 H new ATOM 0 HG12 ILE A 11 -6.093 -7.702 -15.677 1.00 60.40 H new ATOM 0 HG13 ILE A 11 -7.799 -7.681 -15.277 1.00 60.40 H new ATOM 0 HG21 ILE A 11 -5.790 -10.064 -17.378 1.00 42.24 H new ATOM 0 HG22 ILE A 11 -6.419 -9.425 -18.915 1.00 42.24 H new ATOM 0 HG23 ILE A 11 -5.348 -8.424 -17.907 1.00 42.24 H new ATOM 0 HD11 ILE A 11 -6.579 -9.233 -13.831 1.00 41.41 H new ATOM 0 HD12 ILE A 11 -7.743 -10.113 -14.849 1.00 41.41 H new ATOM 0 HD13 ILE A 11 -6.011 -10.135 -15.256 1.00 41.41 H new ATOM 191 N LEU A 12 -9.456 -7.883 -19.624 1.00 11.04 N ATOM 192 CA LEU A 12 -9.886 -8.211 -20.978 1.00 73.33 C ATOM 193 C LEU A 12 -10.606 -7.031 -21.622 1.00 51.32 C ATOM 194 O LEU A 12 -10.778 -6.984 -22.840 1.00 22.14 O ATOM 195 CB LEU A 12 -10.804 -9.435 -20.961 1.00 12.13 C ATOM 196 CG LEU A 12 -10.113 -10.794 -21.072 1.00 21.21 C ATOM 197 CD1 LEU A 12 -11.097 -11.918 -20.786 1.00 64.33 C ATOM 198 CD2 LEU A 12 -9.491 -10.965 -22.450 1.00 44.10 C ATOM 0 H LEU A 12 -10.214 -7.826 -18.943 1.00 11.04 H new ATOM 0 HA LEU A 12 -8.999 -8.438 -21.569 1.00 73.33 H new ATOM 0 HB2 LEU A 12 -11.382 -9.418 -20.037 1.00 12.13 H new ATOM 0 HB3 LEU A 12 -11.514 -9.343 -21.783 1.00 12.13 H new ATOM 0 HG LEU A 12 -9.317 -10.837 -20.328 1.00 21.21 H new ATOM 0 HD11 LEU A 12 -10.587 -12.878 -20.870 1.00 64.33 H new ATOM 0 HD12 LEU A 12 -11.495 -11.805 -19.778 1.00 64.33 H new ATOM 0 HD13 LEU A 12 -11.915 -11.878 -21.506 1.00 64.33 H new ATOM 0 HD21 LEU A 12 -9.004 -11.938 -22.511 1.00 44.10 H new ATOM 0 HD22 LEU A 12 -10.269 -10.901 -23.211 1.00 44.10 H new ATOM 0 HD23 LEU A 12 -8.754 -10.179 -22.617 1.00 44.10 H new ATOM 210 N GLY A 13 -11.024 -6.076 -20.796 1.00 22.31 N ATOM 211 CA GLY A 13 -11.718 -4.907 -21.303 1.00 72.41 C ATOM 212 C GLY A 13 -13.171 -5.192 -21.628 1.00 13.43 C ATOM 213 O GLY A 13 -13.772 -4.517 -22.464 1.00 43.13 O ATOM 0 H GLY A 13 -10.894 -6.092 -19.784 1.00 22.31 H new ATOM 0 HA2 GLY A 13 -11.664 -4.107 -20.564 1.00 72.41 H new ATOM 0 HA3 GLY A 13 -11.212 -4.548 -22.199 1.00 72.41 H new ATOM 217 N VAL A 14 -13.739 -6.195 -20.965 1.00 43.15 N ATOM 218 CA VAL A 14 -15.130 -6.568 -21.188 1.00 55.23 C ATOM 219 C VAL A 14 -15.988 -6.244 -19.970 1.00 22.52 C ATOM 220 O VAL A 14 -15.512 -6.216 -18.835 1.00 21.33 O ATOM 221 CB VAL A 14 -15.265 -8.067 -21.514 1.00 23.35 C ATOM 222 CG1 VAL A 14 -14.435 -8.425 -22.737 1.00 4.11 C ATOM 223 CG2 VAL A 14 -14.855 -8.911 -20.316 1.00 4.43 C ATOM 0 H VAL A 14 -13.256 -6.763 -20.269 1.00 43.15 H new ATOM 0 HA VAL A 14 -15.480 -5.986 -22.041 1.00 55.23 H new ATOM 0 HB VAL A 14 -16.310 -8.279 -21.739 1.00 23.35 H new ATOM 0 HG11 VAL A 14 -14.543 -9.488 -22.952 1.00 4.11 H new ATOM 0 HG12 VAL A 14 -14.780 -7.845 -23.593 1.00 4.11 H new ATOM 0 HG13 VAL A 14 -13.386 -8.199 -22.544 1.00 4.11 H new ATOM 0 HG21 VAL A 14 -14.956 -9.968 -20.564 1.00 4.43 H new ATOM 0 HG22 VAL A 14 -13.818 -8.697 -20.058 1.00 4.43 H new ATOM 0 HG23 VAL A 14 -15.497 -8.674 -19.467 1.00 4.43 H new ATOM 233 N PRO A 15 -17.284 -5.995 -20.208 1.00 0.32 N ATOM 234 CA PRO A 15 -18.236 -5.670 -19.142 1.00 13.32 C ATOM 235 C PRO A 15 -18.531 -6.866 -18.243 1.00 41.12 C ATOM 236 O PRO A 15 -18.056 -7.974 -18.494 1.00 34.04 O ATOM 237 CB PRO A 15 -19.495 -5.252 -19.906 1.00 32.11 C ATOM 238 CG PRO A 15 -19.388 -5.946 -21.220 1.00 35.02 C ATOM 239 CD PRO A 15 -17.920 -6.011 -21.536 1.00 2.30 C ATOM 0 HA PRO A 15 -17.851 -4.900 -18.473 1.00 13.32 H new ATOM 0 HB2 PRO A 15 -20.398 -5.549 -19.373 1.00 32.11 H new ATOM 0 HB3 PRO A 15 -19.541 -4.170 -20.032 1.00 32.11 H new ATOM 0 HG2 PRO A 15 -19.821 -6.945 -21.170 1.00 35.02 H new ATOM 0 HG3 PRO A 15 -19.930 -5.402 -21.994 1.00 35.02 H new ATOM 0 HD2 PRO A 15 -17.668 -6.915 -22.091 1.00 2.30 H new ATOM 0 HD3 PRO A 15 -17.602 -5.164 -22.144 1.00 2.30 H new ATOM 247 N ARG A 16 -19.317 -6.635 -17.197 1.00 3.34 N ATOM 248 CA ARG A 16 -19.674 -7.694 -16.260 1.00 43.25 C ATOM 249 C ARG A 16 -20.779 -8.576 -16.833 1.00 51.13 C ATOM 250 O ARG A 16 -21.109 -9.619 -16.270 1.00 42.23 O ATOM 251 CB ARG A 16 -20.124 -7.094 -14.927 1.00 72.50 C ATOM 252 CG ARG A 16 -19.057 -6.253 -14.246 1.00 32.11 C ATOM 253 CD ARG A 16 -19.158 -4.791 -14.651 1.00 11.10 C ATOM 254 NE ARG A 16 -18.664 -3.898 -13.606 1.00 64.13 N ATOM 255 CZ ARG A 16 -18.440 -2.602 -13.792 1.00 64.14 C ATOM 256 NH1 ARG A 16 -18.665 -2.050 -14.977 1.00 32.43 N ATOM 257 NH2 ARG A 16 -17.989 -1.855 -12.792 1.00 74.15 N ATOM 0 H ARG A 16 -19.719 -5.724 -16.977 1.00 3.34 H new ATOM 0 HA ARG A 16 -18.791 -8.311 -16.093 1.00 43.25 H new ATOM 0 HB2 ARG A 16 -21.007 -6.478 -15.095 1.00 72.50 H new ATOM 0 HB3 ARG A 16 -20.421 -7.901 -14.257 1.00 72.50 H new ATOM 0 HG2 ARG A 16 -19.159 -6.340 -13.164 1.00 32.11 H new ATOM 0 HG3 ARG A 16 -18.070 -6.636 -14.505 1.00 32.11 H new ATOM 0 HD2 ARG A 16 -18.588 -4.628 -15.566 1.00 11.10 H new ATOM 0 HD3 ARG A 16 -20.197 -4.548 -14.875 1.00 11.10 H new ATOM 0 HE ARG A 16 -18.481 -4.291 -12.683 1.00 64.13 H new ATOM 0 HH11 ARG A 16 -19.011 -2.621 -15.748 1.00 32.43 H new ATOM 0 HH12 ARG A 16 -18.492 -1.055 -15.117 1.00 32.43 H new ATOM 0 HH21 ARG A 16 -17.814 -2.276 -11.880 1.00 74.15 H new ATOM 0 HH22 ARG A 16 -17.817 -0.860 -12.936 1.00 74.15 H new ATOM 271 N ASN A 17 -21.348 -8.149 -17.956 1.00 41.30 N ATOM 272 CA ASN A 17 -22.417 -8.899 -18.605 1.00 32.14 C ATOM 273 C ASN A 17 -21.969 -9.418 -19.968 1.00 4.45 C ATOM 274 O ASN A 17 -22.761 -9.985 -20.718 1.00 70.54 O ATOM 275 CB ASN A 17 -23.660 -8.021 -18.764 1.00 72.33 C ATOM 276 CG ASN A 17 -23.343 -6.679 -19.394 1.00 41.21 C ATOM 277 OD1 ASN A 17 -22.357 -6.537 -20.117 1.00 64.41 O ATOM 278 ND2 ASN A 17 -24.180 -5.685 -19.121 1.00 50.30 N ATOM 0 H ASN A 17 -21.086 -7.287 -18.435 1.00 41.30 H new ATOM 0 HA ASN A 17 -22.662 -9.753 -17.974 1.00 32.14 H new ATOM 0 HB2 ASN A 17 -24.394 -8.543 -19.378 1.00 72.33 H new ATOM 0 HB3 ASN A 17 -24.117 -7.862 -17.787 1.00 72.33 H new ATOM 0 HD21 ASN A 17 -24.018 -4.759 -19.516 1.00 50.30 H new ATOM 0 HD22 ASN A 17 -24.985 -5.848 -18.516 1.00 50.30 H new ATOM 285 N ALA A 18 -20.692 -9.218 -20.279 1.00 71.44 N ATOM 286 CA ALA A 18 -20.137 -9.668 -21.550 1.00 51.20 C ATOM 287 C ALA A 18 -20.415 -11.150 -21.777 1.00 24.13 C ATOM 288 O ALA A 18 -20.702 -11.889 -20.835 1.00 4.32 O ATOM 289 CB ALA A 18 -18.641 -9.396 -21.598 1.00 41.42 C ATOM 0 H ALA A 18 -20.023 -8.748 -19.669 1.00 71.44 H new ATOM 0 HA ALA A 18 -20.623 -9.108 -22.349 1.00 51.20 H new ATOM 0 HB1 ALA A 18 -18.240 -9.737 -22.552 1.00 41.42 H new ATOM 0 HB2 ALA A 18 -18.462 -8.326 -21.490 1.00 41.42 H new ATOM 0 HB3 ALA A 18 -18.148 -9.930 -20.786 1.00 41.42 H new ATOM 295 N SER A 19 -20.328 -11.578 -23.032 1.00 21.50 N ATOM 296 CA SER A 19 -20.574 -12.972 -23.383 1.00 33.33 C ATOM 297 C SER A 19 -19.271 -13.681 -23.739 1.00 31.43 C ATOM 298 O SER A 19 -18.265 -13.039 -24.037 1.00 4.05 O ATOM 299 CB SER A 19 -21.553 -13.060 -24.556 1.00 4.34 C ATOM 300 OG SER A 19 -22.757 -12.371 -24.268 1.00 10.14 O ATOM 0 H SER A 19 -20.089 -10.980 -23.823 1.00 21.50 H new ATOM 0 HA SER A 19 -21.011 -13.467 -22.516 1.00 33.33 H new ATOM 0 HB2 SER A 19 -21.094 -12.638 -25.450 1.00 4.34 H new ATOM 0 HB3 SER A 19 -21.772 -14.105 -24.774 1.00 4.34 H new ATOM 0 HG SER A 19 -23.365 -12.441 -25.034 1.00 10.14 H new ATOM 306 N GLN A 20 -19.299 -15.010 -23.705 1.00 54.31 N ATOM 307 CA GLN A 20 -18.121 -15.807 -24.023 1.00 44.33 C ATOM 308 C GLN A 20 -17.608 -15.485 -25.423 1.00 60.43 C ATOM 309 O GLN A 20 -16.421 -15.637 -25.711 1.00 45.54 O ATOM 310 CB GLN A 20 -18.443 -17.298 -23.915 1.00 62.11 C ATOM 311 CG GLN A 20 -19.186 -17.669 -22.642 1.00 20.20 C ATOM 312 CD GLN A 20 -18.627 -16.974 -21.416 1.00 52.33 C ATOM 313 OE1 GLN A 20 -19.128 -15.930 -20.998 1.00 54.52 O ATOM 314 NE2 GLN A 20 -17.583 -17.550 -20.833 1.00 31.34 N ATOM 0 H GLN A 20 -20.125 -15.557 -23.460 1.00 54.31 H new ATOM 0 HA GLN A 20 -17.340 -15.559 -23.304 1.00 44.33 H new ATOM 0 HB2 GLN A 20 -19.043 -17.595 -24.775 1.00 62.11 H new ATOM 0 HB3 GLN A 20 -17.514 -17.866 -23.962 1.00 62.11 H new ATOM 0 HG2 GLN A 20 -20.239 -17.411 -22.752 1.00 20.20 H new ATOM 0 HG3 GLN A 20 -19.135 -18.748 -22.498 1.00 20.20 H new ATOM 0 HE21 GLN A 20 -17.200 -18.415 -21.213 1.00 31.34 H new ATOM 0 HE22 GLN A 20 -17.164 -17.127 -20.005 1.00 31.34 H new ATOM 323 N LYS A 21 -18.511 -15.042 -26.291 1.00 41.32 N ATOM 324 CA LYS A 21 -18.151 -14.698 -27.662 1.00 12.33 C ATOM 325 C LYS A 21 -17.476 -13.331 -27.720 1.00 74.15 C ATOM 326 O LYS A 21 -16.451 -13.164 -28.379 1.00 42.34 O ATOM 327 CB LYS A 21 -19.395 -14.703 -28.554 1.00 23.12 C ATOM 328 CG LYS A 21 -20.091 -16.052 -28.619 1.00 3.50 C ATOM 329 CD LYS A 21 -20.814 -16.242 -29.941 1.00 74.24 C ATOM 330 CE LYS A 21 -19.849 -16.613 -31.057 1.00 30.13 C ATOM 331 NZ LYS A 21 -20.534 -16.705 -32.376 1.00 32.14 N ATOM 0 H LYS A 21 -19.498 -14.913 -26.069 1.00 41.32 H new ATOM 0 HA LYS A 21 -17.448 -15.447 -28.026 1.00 12.33 H new ATOM 0 HB2 LYS A 21 -20.099 -13.957 -28.185 1.00 23.12 H new ATOM 0 HB3 LYS A 21 -19.110 -14.401 -29.562 1.00 23.12 H new ATOM 0 HG2 LYS A 21 -19.358 -16.848 -28.486 1.00 3.50 H new ATOM 0 HG3 LYS A 21 -20.803 -16.135 -27.798 1.00 3.50 H new ATOM 0 HD2 LYS A 21 -21.567 -17.023 -29.836 1.00 74.24 H new ATOM 0 HD3 LYS A 21 -21.340 -15.324 -30.204 1.00 74.24 H new ATOM 0 HE2 LYS A 21 -19.054 -15.869 -31.112 1.00 30.13 H new ATOM 0 HE3 LYS A 21 -19.377 -17.568 -30.826 1.00 30.13 H new ATOM 0 HZ1 LYS A 21 -19.842 -16.960 -33.109 1.00 32.14 H new ATOM 0 HZ2 LYS A 21 -21.276 -17.433 -32.332 1.00 32.14 H new ATOM 0 HZ3 LYS A 21 -20.963 -15.787 -32.609 1.00 32.14 H new ATOM 345 N GLU A 22 -18.058 -12.358 -27.026 1.00 75.22 N ATOM 346 CA GLU A 22 -17.512 -11.007 -27.000 1.00 45.20 C ATOM 347 C GLU A 22 -16.132 -10.991 -26.348 1.00 11.43 C ATOM 348 O GLU A 22 -15.287 -10.158 -26.679 1.00 33.04 O ATOM 349 CB GLU A 22 -18.455 -10.066 -26.248 1.00 5.53 C ATOM 350 CG GLU A 22 -17.965 -8.628 -26.194 1.00 60.15 C ATOM 351 CD GLU A 22 -18.243 -7.869 -27.477 1.00 73.14 C ATOM 352 OE1 GLU A 22 -19.430 -7.610 -27.767 1.00 13.43 O ATOM 353 OE2 GLU A 22 -17.275 -7.535 -28.192 1.00 33.12 O ATOM 0 H GLU A 22 -18.907 -12.481 -26.475 1.00 75.22 H new ATOM 0 HA GLU A 22 -17.413 -10.663 -28.029 1.00 45.20 H new ATOM 0 HB2 GLU A 22 -19.435 -10.089 -26.725 1.00 5.53 H new ATOM 0 HB3 GLU A 22 -18.587 -10.434 -25.231 1.00 5.53 H new ATOM 0 HG2 GLU A 22 -18.446 -8.115 -25.361 1.00 60.15 H new ATOM 0 HG3 GLU A 22 -16.893 -8.620 -25.997 1.00 60.15 H new ATOM 360 N ILE A 23 -15.912 -11.916 -25.419 1.00 53.45 N ATOM 361 CA ILE A 23 -14.636 -12.008 -24.721 1.00 72.32 C ATOM 362 C ILE A 23 -13.528 -12.474 -25.660 1.00 34.11 C ATOM 363 O ILE A 23 -12.371 -12.078 -25.518 1.00 54.11 O ATOM 364 CB ILE A 23 -14.719 -12.973 -23.524 1.00 25.23 C ATOM 365 CG1 ILE A 23 -15.762 -12.484 -22.517 1.00 72.15 C ATOM 366 CG2 ILE A 23 -13.357 -13.110 -22.859 1.00 1.52 C ATOM 367 CD1 ILE A 23 -16.448 -13.603 -21.766 1.00 72.41 C ATOM 0 H ILE A 23 -16.601 -12.612 -25.133 1.00 53.45 H new ATOM 0 HA ILE A 23 -14.402 -11.008 -24.356 1.00 72.32 H new ATOM 0 HB ILE A 23 -15.025 -13.954 -23.888 1.00 25.23 H new ATOM 0 HG12 ILE A 23 -15.280 -11.819 -21.801 1.00 72.15 H new ATOM 0 HG13 ILE A 23 -16.514 -11.895 -23.042 1.00 72.15 H new ATOM 0 HG21 ILE A 23 -13.432 -13.795 -22.015 1.00 1.52 H new ATOM 0 HG22 ILE A 23 -12.638 -13.499 -23.580 1.00 1.52 H new ATOM 0 HG23 ILE A 23 -13.025 -12.134 -22.506 1.00 1.52 H new ATOM 0 HD11 ILE A 23 -17.174 -13.183 -21.070 1.00 72.41 H new ATOM 0 HD12 ILE A 23 -16.959 -14.256 -22.473 1.00 72.41 H new ATOM 0 HD13 ILE A 23 -15.706 -14.178 -21.213 1.00 72.41 H new ATOM 379 N LYS A 24 -13.891 -13.317 -26.621 1.00 25.10 N ATOM 380 CA LYS A 24 -12.929 -13.836 -27.587 1.00 11.23 C ATOM 381 C LYS A 24 -12.344 -12.708 -28.431 1.00 70.42 C ATOM 382 O LYS A 24 -11.149 -12.697 -28.728 1.00 53.05 O ATOM 383 CB LYS A 24 -13.595 -14.874 -28.493 1.00 40.42 C ATOM 384 CG LYS A 24 -13.516 -16.292 -27.954 1.00 54.54 C ATOM 385 CD LYS A 24 -14.304 -17.261 -28.820 1.00 24.33 C ATOM 386 CE LYS A 24 -13.555 -17.600 -30.100 1.00 21.55 C ATOM 387 NZ LYS A 24 -14.385 -18.416 -31.028 1.00 73.23 N ATOM 0 H LYS A 24 -14.844 -13.655 -26.752 1.00 25.10 H new ATOM 0 HA LYS A 24 -12.118 -14.312 -27.036 1.00 11.23 H new ATOM 0 HB2 LYS A 24 -14.642 -14.605 -28.631 1.00 40.42 H new ATOM 0 HB3 LYS A 24 -13.125 -14.841 -29.476 1.00 40.42 H new ATOM 0 HG2 LYS A 24 -12.474 -16.608 -27.909 1.00 54.54 H new ATOM 0 HG3 LYS A 24 -13.901 -16.317 -26.935 1.00 54.54 H new ATOM 0 HD2 LYS A 24 -14.500 -18.175 -28.259 1.00 24.33 H new ATOM 0 HD3 LYS A 24 -15.272 -16.825 -29.068 1.00 24.33 H new ATOM 0 HE2 LYS A 24 -13.252 -16.679 -30.598 1.00 21.55 H new ATOM 0 HE3 LYS A 24 -12.643 -18.144 -29.854 1.00 21.55 H new ATOM 0 HZ1 LYS A 24 -13.839 -18.626 -31.888 1.00 73.23 H new ATOM 0 HZ2 LYS A 24 -14.653 -19.306 -30.562 1.00 73.23 H new ATOM 0 HZ3 LYS A 24 -15.243 -17.886 -31.283 1.00 73.23 H new ATOM 401 N LYS A 25 -13.193 -11.760 -28.814 1.00 63.51 N ATOM 402 CA LYS A 25 -12.760 -10.626 -29.622 1.00 71.41 C ATOM 403 C LYS A 25 -11.894 -9.674 -28.804 1.00 32.03 C ATOM 404 O LYS A 25 -10.835 -9.240 -29.255 1.00 50.04 O ATOM 405 CB LYS A 25 -13.973 -9.878 -30.179 1.00 75.41 C ATOM 406 CG LYS A 25 -14.873 -10.740 -31.049 1.00 23.04 C ATOM 407 CD LYS A 25 -16.311 -10.250 -31.022 1.00 4.34 C ATOM 408 CE LYS A 25 -16.502 -9.035 -31.917 1.00 33.11 C ATOM 409 NZ LYS A 25 -16.211 -7.764 -31.197 1.00 73.23 N ATOM 0 H LYS A 25 -14.185 -11.755 -28.578 1.00 63.51 H new ATOM 0 HA LYS A 25 -12.165 -11.009 -30.451 1.00 71.41 H new ATOM 0 HB2 LYS A 25 -14.557 -9.481 -29.349 1.00 75.41 H new ATOM 0 HB3 LYS A 25 -13.627 -9.025 -30.762 1.00 75.41 H new ATOM 0 HG2 LYS A 25 -14.504 -10.732 -32.075 1.00 23.04 H new ATOM 0 HG3 LYS A 25 -14.833 -11.773 -30.704 1.00 23.04 H new ATOM 0 HD2 LYS A 25 -16.976 -11.051 -31.347 1.00 4.34 H new ATOM 0 HD3 LYS A 25 -16.592 -9.998 -29.999 1.00 4.34 H new ATOM 0 HE2 LYS A 25 -15.849 -9.118 -32.786 1.00 33.11 H new ATOM 0 HE3 LYS A 25 -17.526 -9.015 -32.289 1.00 33.11 H new ATOM 0 HZ1 LYS A 25 -16.703 -6.978 -31.668 1.00 73.23 H new ATOM 0 HZ2 LYS A 25 -16.540 -7.839 -30.213 1.00 73.23 H new ATOM 0 HZ3 LYS A 25 -15.186 -7.586 -31.206 1.00 73.23 H new ATOM 423 N ALA A 26 -12.351 -9.354 -27.597 1.00 75.54 N ATOM 424 CA ALA A 26 -11.617 -8.457 -26.715 1.00 44.41 C ATOM 425 C ALA A 26 -10.279 -9.063 -26.305 1.00 30.20 C ATOM 426 O ALA A 26 -9.305 -8.346 -26.076 1.00 11.52 O ATOM 427 CB ALA A 26 -12.449 -8.128 -25.485 1.00 2.15 C ATOM 0 H ALA A 26 -13.227 -9.704 -27.209 1.00 75.54 H new ATOM 0 HA ALA A 26 -11.416 -7.535 -27.261 1.00 44.41 H new ATOM 0 HB1 ALA A 26 -11.888 -7.457 -24.835 1.00 2.15 H new ATOM 0 HB2 ALA A 26 -13.377 -7.645 -25.792 1.00 2.15 H new ATOM 0 HB3 ALA A 26 -12.680 -9.047 -24.946 1.00 2.15 H new ATOM 433 N TYR A 27 -10.239 -10.388 -26.214 1.00 3.34 N ATOM 434 CA TYR A 27 -9.021 -11.091 -25.828 1.00 1.53 C ATOM 435 C TYR A 27 -7.995 -11.062 -26.956 1.00 44.01 C ATOM 436 O TYR A 27 -6.790 -10.989 -26.713 1.00 63.42 O ATOM 437 CB TYR A 27 -9.340 -12.538 -25.450 1.00 72.02 C ATOM 438 CG TYR A 27 -8.112 -13.395 -25.245 1.00 62.55 C ATOM 439 CD1 TYR A 27 -7.069 -12.967 -24.433 1.00 51.12 C ATOM 440 CD2 TYR A 27 -7.993 -14.633 -25.865 1.00 33.52 C ATOM 441 CE1 TYR A 27 -5.944 -13.746 -24.244 1.00 34.54 C ATOM 442 CE2 TYR A 27 -6.873 -15.420 -25.680 1.00 31.42 C ATOM 443 CZ TYR A 27 -5.851 -14.973 -24.869 1.00 14.54 C ATOM 444 OH TYR A 27 -4.733 -15.753 -24.683 1.00 12.21 O ATOM 0 H TYR A 27 -11.036 -10.997 -26.402 1.00 3.34 H new ATOM 0 HA TYR A 27 -8.597 -10.582 -24.962 1.00 1.53 H new ATOM 0 HB2 TYR A 27 -9.933 -12.543 -24.536 1.00 72.02 H new ATOM 0 HB3 TYR A 27 -9.956 -12.982 -26.232 1.00 72.02 H new ATOM 0 HD1 TYR A 27 -7.139 -12.008 -23.941 1.00 51.12 H new ATOM 0 HD2 TYR A 27 -8.790 -14.986 -26.503 1.00 33.52 H new ATOM 0 HE1 TYR A 27 -5.142 -13.397 -23.611 1.00 34.54 H new ATOM 0 HE2 TYR A 27 -6.798 -16.381 -26.168 1.00 31.42 H new ATOM 0 HH TYR A 27 -4.826 -16.585 -25.192 1.00 12.21 H new ATOM 454 N TYR A 28 -8.481 -11.119 -28.191 1.00 32.02 N ATOM 455 CA TYR A 28 -7.608 -11.102 -29.358 1.00 43.41 C ATOM 456 C TYR A 28 -7.067 -9.698 -29.613 1.00 40.01 C ATOM 457 O TYR A 28 -5.869 -9.512 -29.825 1.00 30.32 O ATOM 458 CB TYR A 28 -8.361 -11.602 -30.592 1.00 64.00 C ATOM 459 CG TYR A 28 -7.547 -11.537 -31.865 1.00 73.41 C ATOM 460 CD1 TYR A 28 -7.997 -10.815 -32.964 1.00 22.03 C ATOM 461 CD2 TYR A 28 -6.330 -12.199 -31.970 1.00 33.32 C ATOM 462 CE1 TYR A 28 -7.258 -10.754 -34.129 1.00 44.42 C ATOM 463 CE2 TYR A 28 -5.584 -12.142 -33.131 1.00 22.32 C ATOM 464 CZ TYR A 28 -6.052 -11.418 -34.208 1.00 23.44 C ATOM 465 OH TYR A 28 -5.312 -11.360 -35.366 1.00 63.33 O ATOM 0 H TYR A 28 -9.476 -11.177 -28.410 1.00 32.02 H new ATOM 0 HA TYR A 28 -6.767 -11.766 -29.160 1.00 43.41 H new ATOM 0 HB2 TYR A 28 -8.675 -12.632 -30.423 1.00 64.00 H new ATOM 0 HB3 TYR A 28 -9.267 -11.010 -30.719 1.00 64.00 H new ATOM 0 HD1 TYR A 28 -8.941 -10.293 -32.906 1.00 22.03 H new ATOM 0 HD2 TYR A 28 -5.961 -12.768 -31.129 1.00 33.32 H new ATOM 0 HE1 TYR A 28 -7.623 -10.189 -34.974 1.00 44.42 H new ATOM 0 HE2 TYR A 28 -4.639 -12.661 -33.195 1.00 22.32 H new ATOM 0 HH TYR A 28 -4.489 -11.881 -35.255 1.00 63.33 H new ATOM 475 N GLN A 29 -7.960 -8.714 -29.590 1.00 41.21 N ATOM 476 CA GLN A 29 -7.573 -7.327 -29.819 1.00 12.44 C ATOM 477 C GLN A 29 -6.551 -6.869 -28.783 1.00 55.40 C ATOM 478 O GLN A 29 -5.664 -6.068 -29.082 1.00 75.13 O ATOM 479 CB GLN A 29 -8.803 -6.418 -29.775 1.00 72.33 C ATOM 480 CG GLN A 29 -9.314 -6.153 -28.368 1.00 53.04 C ATOM 481 CD GLN A 29 -10.495 -5.202 -28.346 1.00 63.00 C ATOM 482 OE1 GLN A 29 -11.210 -5.058 -29.338 1.00 62.31 O ATOM 483 NE2 GLN A 29 -10.705 -4.546 -27.211 1.00 34.22 N ATOM 0 H GLN A 29 -8.956 -8.851 -29.415 1.00 41.21 H new ATOM 0 HA GLN A 29 -7.117 -7.262 -30.807 1.00 12.44 H new ATOM 0 HB2 GLN A 29 -8.559 -5.467 -30.249 1.00 72.33 H new ATOM 0 HB3 GLN A 29 -9.601 -6.872 -30.363 1.00 72.33 H new ATOM 0 HG2 GLN A 29 -9.604 -7.097 -27.907 1.00 53.04 H new ATOM 0 HG3 GLN A 29 -8.507 -5.738 -27.764 1.00 53.04 H new ATOM 0 HE21 GLN A 29 -10.087 -4.696 -26.413 1.00 34.22 H new ATOM 0 HE22 GLN A 29 -11.484 -3.892 -27.137 1.00 34.22 H new ATOM 492 N LEU A 30 -6.682 -7.381 -27.564 1.00 42.32 N ATOM 493 CA LEU A 30 -5.770 -7.024 -26.483 1.00 22.00 C ATOM 494 C LEU A 30 -4.404 -7.672 -26.686 1.00 72.44 C ATOM 495 O LEU A 30 -3.369 -7.045 -26.464 1.00 30.43 O ATOM 496 CB LEU A 30 -6.354 -7.451 -25.135 1.00 42.51 C ATOM 497 CG LEU A 30 -6.793 -6.319 -24.205 1.00 45.43 C ATOM 498 CD1 LEU A 30 -7.710 -5.352 -24.937 1.00 54.14 C ATOM 499 CD2 LEU A 30 -7.482 -6.880 -22.970 1.00 40.23 C ATOM 0 H LEU A 30 -7.410 -8.044 -27.300 1.00 42.32 H new ATOM 0 HA LEU A 30 -5.643 -5.941 -26.491 1.00 22.00 H new ATOM 0 HB2 LEU A 30 -7.213 -8.095 -25.322 1.00 42.51 H new ATOM 0 HB3 LEU A 30 -5.611 -8.054 -24.614 1.00 42.51 H new ATOM 0 HG LEU A 30 -5.906 -5.773 -23.884 1.00 45.43 H new ATOM 0 HD11 LEU A 30 -8.012 -4.553 -24.259 1.00 54.14 H new ATOM 0 HD12 LEU A 30 -7.182 -4.924 -25.789 1.00 54.14 H new ATOM 0 HD13 LEU A 30 -8.594 -5.884 -25.288 1.00 54.14 H new ATOM 0 HD21 LEU A 30 -7.787 -6.060 -22.320 1.00 40.23 H new ATOM 0 HD22 LEU A 30 -8.360 -7.451 -23.271 1.00 40.23 H new ATOM 0 HD23 LEU A 30 -6.792 -7.531 -22.433 1.00 40.23 H new ATOM 511 N ALA A 31 -4.410 -8.931 -27.113 1.00 31.23 N ATOM 512 CA ALA A 31 -3.172 -9.663 -27.351 1.00 32.15 C ATOM 513 C ALA A 31 -2.294 -8.941 -28.366 1.00 41.34 C ATOM 514 O ALA A 31 -1.073 -8.886 -28.220 1.00 24.44 O ATOM 515 CB ALA A 31 -3.477 -11.076 -27.824 1.00 74.42 C ATOM 0 H ALA A 31 -5.259 -9.465 -27.301 1.00 31.23 H new ATOM 0 HA ALA A 31 -2.624 -9.717 -26.410 1.00 32.15 H new ATOM 0 HB1 ALA A 31 -2.543 -11.611 -27.998 1.00 74.42 H new ATOM 0 HB2 ALA A 31 -4.058 -11.597 -27.063 1.00 74.42 H new ATOM 0 HB3 ALA A 31 -4.049 -11.034 -28.751 1.00 74.42 H new ATOM 521 N LYS A 32 -2.923 -8.387 -29.398 1.00 22.23 N ATOM 522 CA LYS A 32 -2.199 -7.667 -30.439 1.00 32.12 C ATOM 523 C LYS A 32 -1.478 -6.454 -29.860 1.00 41.14 C ATOM 524 O LYS A 32 -0.487 -5.983 -30.419 1.00 50.11 O ATOM 525 CB LYS A 32 -3.161 -7.223 -31.543 1.00 71.11 C ATOM 526 CG LYS A 32 -3.637 -8.361 -32.430 1.00 25.25 C ATOM 527 CD LYS A 32 -5.079 -8.165 -32.863 1.00 55.13 C ATOM 528 CE LYS A 32 -5.180 -7.233 -34.061 1.00 5.41 C ATOM 529 NZ LYS A 32 -4.852 -7.930 -35.335 1.00 45.43 N ATOM 0 H LYS A 32 -3.933 -8.423 -29.535 1.00 22.23 H new ATOM 0 HA LYS A 32 -1.455 -8.341 -30.863 1.00 32.12 H new ATOM 0 HB2 LYS A 32 -4.027 -6.742 -31.087 1.00 71.11 H new ATOM 0 HB3 LYS A 32 -2.669 -6.473 -32.162 1.00 71.11 H new ATOM 0 HG2 LYS A 32 -2.998 -8.429 -33.310 1.00 25.25 H new ATOM 0 HG3 LYS A 32 -3.542 -9.305 -31.894 1.00 25.25 H new ATOM 0 HD2 LYS A 32 -5.519 -9.130 -33.114 1.00 55.13 H new ATOM 0 HD3 LYS A 32 -5.657 -7.757 -32.034 1.00 55.13 H new ATOM 0 HE2 LYS A 32 -6.189 -6.825 -34.120 1.00 5.41 H new ATOM 0 HE3 LYS A 32 -4.503 -6.390 -33.923 1.00 5.41 H new ATOM 0 HZ1 LYS A 32 -4.932 -7.261 -36.127 1.00 45.43 H new ATOM 0 HZ2 LYS A 32 -3.880 -8.298 -35.289 1.00 45.43 H new ATOM 0 HZ3 LYS A 32 -5.514 -8.719 -35.480 1.00 45.43 H new ATOM 543 N LYS A 33 -1.980 -5.953 -28.737 1.00 10.21 N ATOM 544 CA LYS A 33 -1.383 -4.796 -28.080 1.00 65.23 C ATOM 545 C LYS A 33 -0.132 -5.197 -27.304 1.00 50.12 C ATOM 546 O LYS A 33 0.839 -4.442 -27.240 1.00 72.41 O ATOM 547 CB LYS A 33 -2.393 -4.141 -27.136 1.00 74.14 C ATOM 548 CG LYS A 33 -3.657 -3.666 -27.833 1.00 22.11 C ATOM 549 CD LYS A 33 -4.601 -2.973 -26.864 1.00 62.35 C ATOM 550 CE LYS A 33 -5.278 -1.774 -27.509 1.00 14.44 C ATOM 551 NZ LYS A 33 -5.960 -0.915 -26.501 1.00 51.42 N ATOM 0 H LYS A 33 -2.800 -6.330 -28.262 1.00 10.21 H new ATOM 0 HA LYS A 33 -1.098 -4.079 -28.850 1.00 65.23 H new ATOM 0 HB2 LYS A 33 -2.664 -4.853 -26.356 1.00 74.14 H new ATOM 0 HB3 LYS A 33 -1.919 -3.292 -26.643 1.00 74.14 H new ATOM 0 HG2 LYS A 33 -3.394 -2.981 -28.639 1.00 22.11 H new ATOM 0 HG3 LYS A 33 -4.163 -4.516 -28.290 1.00 22.11 H new ATOM 0 HD2 LYS A 33 -5.358 -3.680 -26.523 1.00 62.35 H new ATOM 0 HD3 LYS A 33 -4.047 -2.649 -25.983 1.00 62.35 H new ATOM 0 HE2 LYS A 33 -4.536 -1.184 -28.047 1.00 14.44 H new ATOM 0 HE3 LYS A 33 -6.005 -2.119 -28.244 1.00 14.44 H new ATOM 0 HZ1 LYS A 33 -6.409 -0.108 -26.979 1.00 51.42 H new ATOM 0 HZ2 LYS A 33 -6.685 -1.471 -26.005 1.00 51.42 H new ATOM 0 HZ3 LYS A 33 -5.262 -0.565 -25.814 1.00 51.42 H new ATOM 565 N TYR A 34 -0.162 -6.388 -26.718 1.00 20.25 N ATOM 566 CA TYR A 34 0.969 -6.888 -25.945 1.00 70.41 C ATOM 567 C TYR A 34 1.753 -7.929 -26.738 1.00 71.35 C ATOM 568 O TYR A 34 2.432 -8.782 -26.165 1.00 45.45 O ATOM 569 CB TYR A 34 0.485 -7.494 -24.627 1.00 31.34 C ATOM 570 CG TYR A 34 -0.263 -6.516 -23.749 1.00 43.11 C ATOM 571 CD1 TYR A 34 0.416 -5.687 -22.864 1.00 63.13 C ATOM 572 CD2 TYR A 34 -1.648 -6.421 -23.804 1.00 3.12 C ATOM 573 CE1 TYR A 34 -0.262 -4.792 -22.060 1.00 35.10 C ATOM 574 CE2 TYR A 34 -2.335 -5.528 -23.004 1.00 45.14 C ATOM 575 CZ TYR A 34 -1.638 -4.716 -22.134 1.00 43.11 C ATOM 576 OH TYR A 34 -2.318 -3.826 -21.335 1.00 74.10 O ATOM 0 H TYR A 34 -0.957 -7.026 -26.763 1.00 20.25 H new ATOM 0 HA TYR A 34 1.629 -6.048 -25.730 1.00 70.41 H new ATOM 0 HB2 TYR A 34 -0.163 -8.344 -24.844 1.00 31.34 H new ATOM 0 HB3 TYR A 34 1.344 -7.880 -24.077 1.00 31.34 H new ATOM 0 HD1 TYR A 34 1.493 -5.744 -22.804 1.00 63.13 H new ATOM 0 HD2 TYR A 34 -2.197 -7.056 -24.484 1.00 3.12 H new ATOM 0 HE1 TYR A 34 0.281 -4.155 -21.377 1.00 35.10 H new ATOM 0 HE2 TYR A 34 -3.412 -5.466 -23.060 1.00 45.14 H new ATOM 0 HH TYR A 34 -3.280 -3.897 -21.510 1.00 74.10 H new ATOM 586 N HIS A 35 1.654 -7.853 -28.062 1.00 32.11 N ATOM 587 CA HIS A 35 2.354 -8.787 -28.936 1.00 61.21 C ATOM 588 C HIS A 35 3.863 -8.572 -28.864 1.00 31.23 C ATOM 589 O HIS A 35 4.345 -7.520 -28.444 1.00 31.14 O ATOM 590 CB HIS A 35 1.873 -8.627 -30.379 1.00 21.14 C ATOM 591 CG HIS A 35 0.993 -9.746 -30.844 1.00 50.02 C ATOM 592 ND1 HIS A 35 0.829 -10.071 -32.174 1.00 63.31 N ATOM 593 CD2 HIS A 35 0.227 -10.618 -30.148 1.00 22.40 C ATOM 594 CE1 HIS A 35 0.000 -11.094 -32.276 1.00 74.20 C ATOM 595 NE2 HIS A 35 -0.380 -11.446 -31.061 1.00 1.44 N ATOM 0 H HIS A 35 1.096 -7.154 -28.552 1.00 32.11 H new ATOM 0 HA HIS A 35 2.132 -9.799 -28.597 1.00 61.21 H new ATOM 0 HB2 HIS A 35 1.330 -7.686 -30.470 1.00 21.14 H new ATOM 0 HB3 HIS A 35 2.739 -8.560 -31.037 1.00 21.14 H new ATOM 0 HD2 HIS A 35 0.114 -10.656 -29.075 1.00 22.40 H new ATOM 0 HE1 HIS A 35 -0.314 -11.563 -33.197 1.00 74.20 H new ATOM 0 HE2 HIS A 35 -1.020 -12.208 -30.837 1.00 1.44 H new ATOM 603 N PRO A 36 4.627 -9.592 -29.282 1.00 3.11 N ATOM 604 CA PRO A 36 6.092 -9.538 -29.274 1.00 22.22 C ATOM 605 C PRO A 36 6.643 -8.570 -30.315 1.00 74.15 C ATOM 606 O PRO A 36 7.830 -8.243 -30.307 1.00 74.42 O ATOM 607 CB PRO A 36 6.502 -10.974 -29.610 1.00 34.55 C ATOM 608 CG PRO A 36 5.347 -11.530 -30.369 1.00 53.22 C ATOM 609 CD PRO A 36 4.120 -10.876 -29.795 1.00 44.43 C ATOM 0 HA PRO A 36 6.481 -9.181 -28.320 1.00 22.22 H new ATOM 0 HB2 PRO A 36 7.415 -10.996 -30.206 1.00 34.55 H new ATOM 0 HB3 PRO A 36 6.697 -11.552 -28.707 1.00 34.55 H new ATOM 0 HG2 PRO A 36 5.441 -11.317 -31.434 1.00 53.22 H new ATOM 0 HG3 PRO A 36 5.297 -12.614 -30.264 1.00 53.22 H new ATOM 0 HD2 PRO A 36 3.350 -10.730 -30.553 1.00 44.43 H new ATOM 0 HD3 PRO A 36 3.677 -11.479 -29.002 1.00 44.43 H new ATOM 617 N ASP A 37 5.773 -8.114 -31.210 1.00 61.55 N ATOM 618 CA ASP A 37 6.172 -7.182 -32.258 1.00 42.12 C ATOM 619 C ASP A 37 6.315 -5.769 -31.702 1.00 42.42 C ATOM 620 O ASP A 37 7.017 -4.933 -32.273 1.00 12.31 O ATOM 621 CB ASP A 37 5.152 -7.194 -33.397 1.00 74.34 C ATOM 622 CG ASP A 37 5.576 -6.325 -34.565 1.00 24.13 C ATOM 623 OD1 ASP A 37 4.757 -5.499 -35.019 1.00 1.24 O ATOM 624 OD2 ASP A 37 6.728 -6.471 -35.024 1.00 4.43 O ATOM 0 H ASP A 37 4.787 -8.375 -31.231 1.00 61.55 H new ATOM 0 HA ASP A 37 7.140 -7.501 -32.645 1.00 42.12 H new ATOM 0 HB2 ASP A 37 5.010 -8.218 -33.743 1.00 74.34 H new ATOM 0 HB3 ASP A 37 4.189 -6.848 -33.022 1.00 74.34 H new ATOM 629 N THR A 38 5.644 -5.507 -30.585 1.00 24.05 N ATOM 630 CA THR A 38 5.695 -4.195 -29.952 1.00 54.23 C ATOM 631 C THR A 38 6.557 -4.222 -28.696 1.00 24.51 C ATOM 632 O THR A 38 6.669 -3.224 -27.986 1.00 42.35 O ATOM 633 CB THR A 38 4.285 -3.695 -29.583 1.00 22.14 C ATOM 634 OG1 THR A 38 3.805 -4.393 -28.428 1.00 4.42 O ATOM 635 CG2 THR A 38 3.319 -3.896 -30.740 1.00 50.43 C ATOM 0 H THR A 38 5.058 -6.187 -30.100 1.00 24.05 H new ATOM 0 HA THR A 38 6.137 -3.512 -30.677 1.00 54.23 H new ATOM 0 HB THR A 38 4.347 -2.629 -29.364 1.00 22.14 H new ATOM 0 HG1 THR A 38 4.010 -5.347 -28.514 1.00 4.42 H new ATOM 0 HG21 THR A 38 2.330 -3.536 -30.455 1.00 50.43 H new ATOM 0 HG22 THR A 38 3.672 -3.341 -31.609 1.00 50.43 H new ATOM 0 HG23 THR A 38 3.262 -4.956 -30.986 1.00 50.43 H new ATOM 643 N ASN A 39 7.166 -5.373 -28.427 1.00 44.21 N ATOM 644 CA ASN A 39 8.020 -5.530 -27.255 1.00 61.02 C ATOM 645 C ASN A 39 9.415 -4.972 -27.520 1.00 23.22 C ATOM 646 O ASN A 39 10.282 -4.997 -26.646 1.00 64.40 O ATOM 647 CB ASN A 39 8.115 -7.006 -26.862 1.00 12.54 C ATOM 648 CG ASN A 39 7.026 -7.416 -25.889 1.00 53.43 C ATOM 649 OD1 ASN A 39 7.287 -8.100 -24.900 1.00 10.44 O ATOM 650 ND2 ASN A 39 5.796 -6.998 -26.168 1.00 62.30 N ATOM 0 H ASN A 39 7.084 -6.210 -29.004 1.00 44.21 H new ATOM 0 HA ASN A 39 7.574 -4.970 -26.433 1.00 61.02 H new ATOM 0 HB2 ASN A 39 8.049 -7.623 -27.758 1.00 12.54 H new ATOM 0 HB3 ASN A 39 9.090 -7.198 -26.414 1.00 12.54 H new ATOM 0 HD21 ASN A 39 5.022 -7.243 -25.551 1.00 62.30 H new ATOM 0 HD22 ASN A 39 5.626 -6.432 -27.000 1.00 62.30 H new ATOM 657 N LYS A 40 9.625 -4.468 -28.731 1.00 71.01 N ATOM 658 CA LYS A 40 10.913 -3.902 -29.112 1.00 43.41 C ATOM 659 C LYS A 40 11.376 -2.866 -28.092 1.00 33.32 C ATOM 660 O LYS A 40 12.556 -2.805 -27.747 1.00 31.23 O ATOM 661 CB LYS A 40 10.822 -3.261 -30.499 1.00 31.00 C ATOM 662 CG LYS A 40 11.322 -4.158 -31.618 1.00 30.53 C ATOM 663 CD LYS A 40 10.181 -4.910 -32.282 1.00 54.44 C ATOM 664 CE LYS A 40 9.959 -6.270 -31.638 1.00 54.45 C ATOM 665 NZ LYS A 40 10.629 -7.360 -32.400 1.00 55.10 N ATOM 0 H LYS A 40 8.919 -4.440 -29.466 1.00 71.01 H new ATOM 0 HA LYS A 40 11.643 -4.711 -29.139 1.00 43.41 H new ATOM 0 HB2 LYS A 40 9.785 -2.990 -30.698 1.00 31.00 H new ATOM 0 HB3 LYS A 40 11.399 -2.336 -30.501 1.00 31.00 H new ATOM 0 HG2 LYS A 40 11.844 -3.556 -32.362 1.00 30.53 H new ATOM 0 HG3 LYS A 40 12.045 -4.870 -31.219 1.00 30.53 H new ATOM 0 HD2 LYS A 40 9.267 -4.320 -32.213 1.00 54.44 H new ATOM 0 HD3 LYS A 40 10.398 -5.040 -33.342 1.00 54.44 H new ATOM 0 HE2 LYS A 40 10.339 -6.254 -30.616 1.00 54.45 H new ATOM 0 HE3 LYS A 40 8.890 -6.473 -31.578 1.00 54.45 H new ATOM 0 HZ1 LYS A 40 10.454 -8.271 -31.929 1.00 55.10 H new ATOM 0 HZ2 LYS A 40 10.249 -7.392 -33.367 1.00 55.10 H new ATOM 0 HZ3 LYS A 40 11.653 -7.180 -32.436 1.00 55.10 H new ATOM 679 N ASP A 41 10.439 -2.056 -27.612 1.00 52.11 N ATOM 680 CA ASP A 41 10.750 -1.025 -26.629 1.00 1.20 C ATOM 681 C ASP A 41 9.984 -1.263 -25.331 1.00 44.52 C ATOM 682 O ASP A 41 9.846 -0.359 -24.506 1.00 24.51 O ATOM 683 CB ASP A 41 10.415 0.359 -27.187 1.00 5.52 C ATOM 684 CG ASP A 41 8.927 0.555 -27.397 1.00 32.25 C ATOM 685 OD1 ASP A 41 8.197 0.682 -26.391 1.00 2.13 O ATOM 686 OD2 ASP A 41 8.491 0.581 -28.566 1.00 43.24 O ATOM 0 H ASP A 41 9.458 -2.093 -27.888 1.00 52.11 H new ATOM 0 HA ASP A 41 11.817 -1.073 -26.414 1.00 1.20 H new ATOM 0 HB2 ASP A 41 10.786 1.122 -26.503 1.00 5.52 H new ATOM 0 HB3 ASP A 41 10.934 0.501 -28.135 1.00 5.52 H new ATOM 691 N ASP A 42 9.488 -2.482 -25.158 1.00 72.53 N ATOM 692 CA ASP A 42 8.736 -2.839 -23.961 1.00 33.30 C ATOM 693 C ASP A 42 8.939 -4.310 -23.610 1.00 2.35 C ATOM 694 O ASP A 42 8.111 -5.167 -23.917 1.00 71.20 O ATOM 695 CB ASP A 42 7.247 -2.552 -24.163 1.00 42.33 C ATOM 696 CG ASP A 42 6.558 -2.135 -22.879 1.00 22.23 C ATOM 697 OD1 ASP A 42 7.122 -2.389 -21.793 1.00 41.44 O ATOM 698 OD2 ASP A 42 5.456 -1.555 -22.959 1.00 15.14 O ATOM 0 H ASP A 42 9.593 -3.241 -25.832 1.00 72.53 H new ATOM 0 HA ASP A 42 9.107 -2.232 -23.135 1.00 33.30 H new ATOM 0 HB2 ASP A 42 7.130 -1.764 -24.907 1.00 42.33 H new ATOM 0 HB3 ASP A 42 6.759 -3.442 -24.561 1.00 42.33 H new ATOM 703 N PRO A 43 10.068 -4.610 -22.951 1.00 22.24 N ATOM 704 CA PRO A 43 10.407 -5.977 -22.544 1.00 23.14 C ATOM 705 C PRO A 43 9.503 -6.491 -21.428 1.00 45.11 C ATOM 706 O PRO A 43 9.557 -7.665 -21.062 1.00 62.34 O ATOM 707 CB PRO A 43 11.850 -5.852 -22.048 1.00 1.11 C ATOM 708 CG PRO A 43 11.984 -4.429 -21.627 1.00 31.24 C ATOM 709 CD PRO A 43 11.100 -3.639 -22.552 1.00 3.34 C ATOM 0 HA PRO A 43 10.282 -6.688 -23.361 1.00 23.14 H new ATOM 0 HB2 PRO A 43 12.043 -6.531 -21.217 1.00 1.11 H new ATOM 0 HB3 PRO A 43 12.562 -6.101 -22.835 1.00 1.11 H new ATOM 0 HG2 PRO A 43 11.678 -4.299 -20.589 1.00 31.24 H new ATOM 0 HG3 PRO A 43 13.020 -4.097 -21.698 1.00 31.24 H new ATOM 0 HD2 PRO A 43 10.665 -2.774 -22.051 1.00 3.34 H new ATOM 0 HD3 PRO A 43 11.653 -3.264 -23.413 1.00 3.34 H new ATOM 717 N LYS A 44 8.673 -5.604 -20.891 1.00 34.35 N ATOM 718 CA LYS A 44 7.755 -5.968 -19.817 1.00 52.34 C ATOM 719 C LYS A 44 6.378 -6.318 -20.374 1.00 4.43 C ATOM 720 O LYS A 44 5.575 -6.967 -19.705 1.00 62.31 O ATOM 721 CB LYS A 44 7.634 -4.820 -18.812 1.00 34.42 C ATOM 722 CG LYS A 44 8.651 -4.888 -17.686 1.00 61.21 C ATOM 723 CD LYS A 44 8.764 -3.561 -16.955 1.00 55.45 C ATOM 724 CE LYS A 44 9.391 -3.732 -15.581 1.00 21.53 C ATOM 725 NZ LYS A 44 8.400 -4.201 -14.573 1.00 71.42 N ATOM 0 H LYS A 44 8.617 -4.628 -21.181 1.00 34.35 H new ATOM 0 HA LYS A 44 8.156 -6.846 -19.310 1.00 52.34 H new ATOM 0 HB2 LYS A 44 7.751 -3.873 -19.339 1.00 34.42 H new ATOM 0 HB3 LYS A 44 6.631 -4.826 -18.385 1.00 34.42 H new ATOM 0 HG2 LYS A 44 8.364 -5.669 -16.982 1.00 61.21 H new ATOM 0 HG3 LYS A 44 9.624 -5.166 -18.090 1.00 61.21 H new ATOM 0 HD2 LYS A 44 9.364 -2.869 -17.546 1.00 55.45 H new ATOM 0 HD3 LYS A 44 7.774 -3.116 -16.851 1.00 55.45 H new ATOM 0 HE2 LYS A 44 10.212 -4.446 -15.643 1.00 21.53 H new ATOM 0 HE3 LYS A 44 9.818 -2.783 -15.256 1.00 21.53 H new ATOM 0 HZ1 LYS A 44 8.867 -4.305 -13.650 1.00 71.42 H new ATOM 0 HZ2 LYS A 44 7.629 -3.507 -14.495 1.00 71.42 H new ATOM 0 HZ3 LYS A 44 8.011 -5.119 -14.870 1.00 71.42 H new ATOM 739 N ALA A 45 6.114 -5.884 -21.602 1.00 12.22 N ATOM 740 CA ALA A 45 4.836 -6.155 -22.249 1.00 10.42 C ATOM 741 C ALA A 45 4.553 -7.652 -22.300 1.00 31.23 C ATOM 742 O ALA A 45 3.403 -8.081 -22.202 1.00 71.05 O ATOM 743 CB ALA A 45 4.819 -5.564 -23.651 1.00 71.40 C ATOM 0 H ALA A 45 6.768 -5.344 -22.169 1.00 12.22 H new ATOM 0 HA ALA A 45 4.050 -5.684 -21.658 1.00 10.42 H new ATOM 0 HB1 ALA A 45 3.859 -5.774 -24.123 1.00 71.40 H new ATOM 0 HB2 ALA A 45 4.967 -4.486 -23.593 1.00 71.40 H new ATOM 0 HB3 ALA A 45 5.619 -6.009 -24.243 1.00 71.40 H new ATOM 749 N LYS A 46 5.609 -8.444 -22.453 1.00 74.24 N ATOM 750 CA LYS A 46 5.475 -9.895 -22.517 1.00 14.21 C ATOM 751 C LYS A 46 4.785 -10.433 -21.267 1.00 43.30 C ATOM 752 O LYS A 46 3.933 -11.316 -21.350 1.00 30.33 O ATOM 753 CB LYS A 46 6.849 -10.548 -22.675 1.00 65.00 C ATOM 754 CG LYS A 46 7.824 -10.190 -21.566 1.00 62.15 C ATOM 755 CD LYS A 46 9.240 -10.624 -21.907 1.00 50.22 C ATOM 756 CE LYS A 46 9.796 -9.837 -23.084 1.00 72.34 C ATOM 757 NZ LYS A 46 11.262 -9.608 -22.956 1.00 73.51 N ATOM 0 H LYS A 46 6.568 -8.105 -22.535 1.00 74.24 H new ATOM 0 HA LYS A 46 4.861 -10.141 -23.384 1.00 14.21 H new ATOM 0 HB2 LYS A 46 6.726 -11.631 -22.704 1.00 65.00 H new ATOM 0 HB3 LYS A 46 7.276 -10.250 -23.633 1.00 65.00 H new ATOM 0 HG2 LYS A 46 7.803 -9.114 -21.396 1.00 62.15 H new ATOM 0 HG3 LYS A 46 7.510 -10.666 -20.637 1.00 62.15 H new ATOM 0 HD2 LYS A 46 9.884 -10.485 -21.038 1.00 50.22 H new ATOM 0 HD3 LYS A 46 9.249 -11.688 -22.143 1.00 50.22 H new ATOM 0 HE2 LYS A 46 9.592 -10.375 -24.010 1.00 72.34 H new ATOM 0 HE3 LYS A 46 9.283 -8.878 -23.154 1.00 72.34 H new ATOM 0 HZ1 LYS A 46 11.602 -9.069 -23.778 1.00 73.51 H new ATOM 0 HZ2 LYS A 46 11.455 -9.072 -22.086 1.00 73.51 H new ATOM 0 HZ3 LYS A 46 11.754 -10.523 -22.915 1.00 73.51 H new ATOM 771 N GLU A 47 5.159 -9.893 -20.111 1.00 43.43 N ATOM 772 CA GLU A 47 4.575 -10.319 -18.845 1.00 64.21 C ATOM 773 C GLU A 47 3.086 -9.990 -18.794 1.00 42.13 C ATOM 774 O GLU A 47 2.285 -10.764 -18.270 1.00 52.33 O ATOM 775 CB GLU A 47 5.297 -9.649 -17.674 1.00 22.51 C ATOM 776 CG GLU A 47 5.115 -10.375 -16.351 1.00 72.14 C ATOM 777 CD GLU A 47 5.857 -9.706 -15.211 1.00 44.44 C ATOM 778 OE1 GLU A 47 5.832 -8.459 -15.138 1.00 72.14 O ATOM 779 OE2 GLU A 47 6.464 -10.427 -14.393 1.00 21.42 O ATOM 0 H GLU A 47 5.863 -9.160 -20.025 1.00 43.43 H new ATOM 0 HA GLU A 47 4.693 -11.400 -18.765 1.00 64.21 H new ATOM 0 HB2 GLU A 47 6.361 -9.587 -17.902 1.00 22.51 H new ATOM 0 HB3 GLU A 47 4.933 -8.627 -17.571 1.00 22.51 H new ATOM 0 HG2 GLU A 47 4.053 -10.422 -16.110 1.00 72.14 H new ATOM 0 HG3 GLU A 47 5.465 -11.402 -16.454 1.00 72.14 H new ATOM 786 N LYS A 48 2.723 -8.835 -19.342 1.00 73.33 N ATOM 787 CA LYS A 48 1.331 -8.402 -19.361 1.00 52.53 C ATOM 788 C LYS A 48 0.512 -9.244 -20.334 1.00 14.01 C ATOM 789 O LYS A 48 -0.662 -9.526 -20.090 1.00 62.14 O ATOM 790 CB LYS A 48 1.241 -6.924 -19.749 1.00 52.21 C ATOM 791 CG LYS A 48 2.160 -6.026 -18.940 1.00 2.41 C ATOM 792 CD LYS A 48 1.823 -6.071 -17.459 1.00 72.40 C ATOM 793 CE LYS A 48 2.830 -5.286 -16.633 1.00 62.03 C ATOM 794 NZ LYS A 48 2.276 -4.896 -15.307 1.00 43.32 N ATOM 0 H LYS A 48 3.374 -8.182 -19.779 1.00 73.33 H new ATOM 0 HA LYS A 48 0.922 -8.535 -18.360 1.00 52.53 H new ATOM 0 HB2 LYS A 48 1.483 -6.819 -20.807 1.00 52.21 H new ATOM 0 HB3 LYS A 48 0.213 -6.586 -19.622 1.00 52.21 H new ATOM 0 HG2 LYS A 48 3.195 -6.335 -19.088 1.00 2.41 H new ATOM 0 HG3 LYS A 48 2.079 -5.001 -19.301 1.00 2.41 H new ATOM 0 HD2 LYS A 48 0.824 -5.664 -17.300 1.00 72.40 H new ATOM 0 HD3 LYS A 48 1.803 -7.107 -17.121 1.00 72.40 H new ATOM 0 HE2 LYS A 48 3.728 -5.886 -16.489 1.00 62.03 H new ATOM 0 HE3 LYS A 48 3.129 -4.391 -17.179 1.00 62.03 H new ATOM 0 HZ1 LYS A 48 2.993 -4.363 -14.775 1.00 43.32 H new ATOM 0 HZ2 LYS A 48 1.433 -4.302 -15.444 1.00 43.32 H new ATOM 0 HZ3 LYS A 48 2.014 -5.751 -14.775 1.00 43.32 H new ATOM 808 N PHE A 49 1.138 -9.644 -21.436 1.00 32.14 N ATOM 809 CA PHE A 49 0.467 -10.455 -22.445 1.00 34.13 C ATOM 810 C PHE A 49 -0.041 -11.762 -21.843 1.00 22.23 C ATOM 811 O PHE A 49 -1.064 -12.298 -22.268 1.00 14.33 O ATOM 812 CB PHE A 49 1.417 -10.751 -23.607 1.00 1.22 C ATOM 813 CG PHE A 49 0.869 -11.744 -24.592 1.00 2.25 C ATOM 814 CD1 PHE A 49 0.146 -11.319 -25.694 1.00 73.02 C ATOM 815 CD2 PHE A 49 1.077 -13.102 -24.414 1.00 61.22 C ATOM 816 CE1 PHE A 49 -0.360 -12.230 -26.603 1.00 24.15 C ATOM 817 CE2 PHE A 49 0.575 -14.018 -25.319 1.00 53.23 C ATOM 818 CZ PHE A 49 -0.146 -13.581 -26.414 1.00 64.41 C ATOM 0 H PHE A 49 2.109 -9.420 -21.653 1.00 32.14 H new ATOM 0 HA PHE A 49 -0.388 -9.891 -22.818 1.00 34.13 H new ATOM 0 HB2 PHE A 49 1.641 -9.820 -24.128 1.00 1.22 H new ATOM 0 HB3 PHE A 49 2.359 -11.128 -23.209 1.00 1.22 H new ATOM 0 HD1 PHE A 49 -0.025 -10.263 -25.845 1.00 73.02 H new ATOM 0 HD2 PHE A 49 1.638 -13.449 -23.559 1.00 61.22 H new ATOM 0 HE1 PHE A 49 -0.921 -11.886 -27.459 1.00 24.15 H new ATOM 0 HE2 PHE A 49 0.746 -15.074 -25.171 1.00 53.23 H new ATOM 0 HZ PHE A 49 -0.542 -14.295 -27.121 1.00 64.41 H new ATOM 828 N SER A 50 0.683 -12.270 -20.851 1.00 25.33 N ATOM 829 CA SER A 50 0.310 -13.517 -20.192 1.00 42.24 C ATOM 830 C SER A 50 -0.947 -13.330 -19.348 1.00 61.02 C ATOM 831 O SER A 50 -1.763 -14.242 -19.222 1.00 71.33 O ATOM 832 CB SER A 50 1.458 -14.018 -19.314 1.00 62.01 C ATOM 833 OG SER A 50 1.314 -15.398 -19.024 1.00 53.42 O ATOM 0 H SER A 50 1.531 -11.838 -20.486 1.00 25.33 H new ATOM 0 HA SER A 50 0.102 -14.259 -20.963 1.00 42.24 H new ATOM 0 HB2 SER A 50 2.408 -13.847 -19.820 1.00 62.01 H new ATOM 0 HB3 SER A 50 1.484 -13.449 -18.385 1.00 62.01 H new ATOM 0 HG SER A 50 2.061 -15.694 -18.463 1.00 53.42 H new ATOM 839 N GLN A 51 -1.094 -12.141 -18.773 1.00 31.25 N ATOM 840 CA GLN A 51 -2.251 -11.834 -17.940 1.00 21.45 C ATOM 841 C GLN A 51 -3.543 -11.942 -18.742 1.00 54.20 C ATOM 842 O GLN A 51 -4.601 -12.258 -18.196 1.00 32.30 O ATOM 843 CB GLN A 51 -2.120 -10.431 -17.346 1.00 14.22 C ATOM 844 CG GLN A 51 -0.937 -10.276 -16.404 1.00 32.10 C ATOM 845 CD GLN A 51 -0.835 -11.411 -15.404 1.00 62.12 C ATOM 846 OE1 GLN A 51 -0.039 -12.335 -15.576 1.00 34.21 O ATOM 847 NE2 GLN A 51 -1.641 -11.347 -14.351 1.00 74.43 N ATOM 0 H GLN A 51 -0.427 -11.375 -18.868 1.00 31.25 H new ATOM 0 HA GLN A 51 -2.287 -12.562 -17.129 1.00 21.45 H new ATOM 0 HB2 GLN A 51 -2.024 -9.710 -18.158 1.00 14.22 H new ATOM 0 HB3 GLN A 51 -3.036 -10.186 -16.808 1.00 14.22 H new ATOM 0 HG2 GLN A 51 -0.017 -10.227 -16.987 1.00 32.10 H new ATOM 0 HG3 GLN A 51 -1.026 -9.331 -15.868 1.00 32.10 H new ATOM 0 HE21 GLN A 51 -2.285 -10.563 -14.249 1.00 74.43 H new ATOM 0 HE22 GLN A 51 -1.616 -12.082 -13.644 1.00 74.43 H new ATOM 856 N LEU A 52 -3.451 -11.676 -20.040 1.00 55.03 N ATOM 857 CA LEU A 52 -4.614 -11.742 -20.919 1.00 71.31 C ATOM 858 C LEU A 52 -5.144 -13.170 -21.014 1.00 41.53 C ATOM 859 O LEU A 52 -6.345 -13.406 -20.888 1.00 41.13 O ATOM 860 CB LEU A 52 -4.254 -11.226 -22.313 1.00 54.42 C ATOM 861 CG LEU A 52 -3.541 -9.874 -22.365 1.00 20.14 C ATOM 862 CD1 LEU A 52 -2.816 -9.703 -23.691 1.00 35.12 C ATOM 863 CD2 LEU A 52 -4.531 -8.740 -22.146 1.00 13.44 C ATOM 0 H LEU A 52 -2.584 -11.413 -20.507 1.00 55.03 H new ATOM 0 HA LEU A 52 -5.395 -11.111 -20.495 1.00 71.31 H new ATOM 0 HB2 LEU A 52 -3.621 -11.967 -22.800 1.00 54.42 H new ATOM 0 HB3 LEU A 52 -5.170 -11.154 -22.900 1.00 54.42 H new ATOM 0 HG LEU A 52 -2.802 -9.844 -21.564 1.00 20.14 H new ATOM 0 HD11 LEU A 52 -2.315 -8.735 -23.709 1.00 35.12 H new ATOM 0 HD12 LEU A 52 -2.078 -10.496 -23.807 1.00 35.12 H new ATOM 0 HD13 LEU A 52 -3.535 -9.755 -24.508 1.00 35.12 H new ATOM 0 HD21 LEU A 52 -4.006 -7.786 -22.186 1.00 13.44 H new ATOM 0 HD22 LEU A 52 -5.294 -8.768 -22.924 1.00 13.44 H new ATOM 0 HD23 LEU A 52 -5.004 -8.853 -21.170 1.00 13.44 H new ATOM 875 N ALA A 53 -4.239 -14.118 -21.236 1.00 11.55 N ATOM 876 CA ALA A 53 -4.615 -15.522 -21.343 1.00 43.21 C ATOM 877 C ALA A 53 -5.094 -16.066 -20.002 1.00 30.22 C ATOM 878 O ALA A 53 -5.955 -16.944 -19.950 1.00 41.23 O ATOM 879 CB ALA A 53 -3.443 -16.343 -21.860 1.00 71.42 C ATOM 0 H ALA A 53 -3.241 -13.939 -21.345 1.00 11.55 H new ATOM 0 HA ALA A 53 -5.440 -15.599 -22.051 1.00 43.21 H new ATOM 0 HB1 ALA A 53 -3.737 -17.390 -21.935 1.00 71.42 H new ATOM 0 HB2 ALA A 53 -3.148 -15.977 -22.844 1.00 71.42 H new ATOM 0 HB3 ALA A 53 -2.603 -16.251 -21.172 1.00 71.42 H new ATOM 885 N GLU A 54 -4.530 -15.540 -18.919 1.00 51.10 N ATOM 886 CA GLU A 54 -4.900 -15.976 -17.578 1.00 11.45 C ATOM 887 C GLU A 54 -6.345 -15.599 -17.262 1.00 41.03 C ATOM 888 O GLU A 54 -7.133 -16.435 -16.822 1.00 54.11 O ATOM 889 CB GLU A 54 -3.962 -15.357 -16.539 1.00 40.53 C ATOM 890 CG GLU A 54 -2.641 -16.093 -16.397 1.00 23.10 C ATOM 891 CD GLU A 54 -1.620 -15.311 -15.593 1.00 53.22 C ATOM 892 OE1 GLU A 54 -2.024 -14.623 -14.632 1.00 51.33 O ATOM 893 OE2 GLU A 54 -0.419 -15.386 -15.925 1.00 22.02 O ATOM 0 H GLU A 54 -3.816 -14.812 -18.944 1.00 51.10 H new ATOM 0 HA GLU A 54 -4.809 -17.061 -17.539 1.00 11.45 H new ATOM 0 HB2 GLU A 54 -3.763 -14.321 -16.813 1.00 40.53 H new ATOM 0 HB3 GLU A 54 -4.465 -15.340 -15.572 1.00 40.53 H new ATOM 0 HG2 GLU A 54 -2.816 -17.056 -15.917 1.00 23.10 H new ATOM 0 HG3 GLU A 54 -2.236 -16.300 -17.388 1.00 23.10 H new ATOM 900 N ALA A 55 -6.684 -14.334 -17.491 1.00 22.35 N ATOM 901 CA ALA A 55 -8.033 -13.847 -17.233 1.00 1.54 C ATOM 902 C ALA A 55 -9.020 -14.395 -18.257 1.00 51.24 C ATOM 903 O ALA A 55 -10.155 -14.734 -17.921 1.00 1.11 O ATOM 904 CB ALA A 55 -8.054 -12.325 -17.238 1.00 30.20 C ATOM 0 H ALA A 55 -6.043 -13.629 -17.854 1.00 22.35 H new ATOM 0 HA ALA A 55 -8.338 -14.201 -16.248 1.00 1.54 H new ATOM 0 HB1 ALA A 55 -9.068 -11.974 -17.044 1.00 30.20 H new ATOM 0 HB2 ALA A 55 -7.386 -11.949 -16.463 1.00 30.20 H new ATOM 0 HB3 ALA A 55 -7.724 -11.960 -18.210 1.00 30.20 H new ATOM 910 N TYR A 56 -8.582 -14.478 -19.508 1.00 65.34 N ATOM 911 CA TYR A 56 -9.428 -14.983 -20.583 1.00 51.41 C ATOM 912 C TYR A 56 -9.798 -16.443 -20.345 1.00 71.54 C ATOM 913 O TYR A 56 -10.840 -16.913 -20.802 1.00 2.11 O ATOM 914 CB TYR A 56 -8.719 -14.837 -21.930 1.00 62.34 C ATOM 915 CG TYR A 56 -9.362 -15.635 -23.042 1.00 43.14 C ATOM 916 CD1 TYR A 56 -10.396 -15.099 -23.800 1.00 11.12 C ATOM 917 CD2 TYR A 56 -8.936 -16.925 -23.335 1.00 41.52 C ATOM 918 CE1 TYR A 56 -10.987 -15.824 -24.816 1.00 72.03 C ATOM 919 CE2 TYR A 56 -9.520 -17.656 -24.351 1.00 20.42 C ATOM 920 CZ TYR A 56 -10.545 -17.102 -25.088 1.00 73.03 C ATOM 921 OH TYR A 56 -11.131 -17.828 -26.100 1.00 22.42 O ATOM 0 H TYR A 56 -7.645 -14.202 -19.803 1.00 65.34 H new ATOM 0 HA TYR A 56 -10.344 -14.393 -20.597 1.00 51.41 H new ATOM 0 HB2 TYR A 56 -8.704 -13.784 -22.211 1.00 62.34 H new ATOM 0 HB3 TYR A 56 -7.681 -15.152 -21.821 1.00 62.34 H new ATOM 0 HD1 TYR A 56 -10.743 -14.098 -23.591 1.00 11.12 H new ATOM 0 HD2 TYR A 56 -8.135 -17.363 -22.759 1.00 41.52 H new ATOM 0 HE1 TYR A 56 -11.791 -15.393 -25.394 1.00 72.03 H new ATOM 0 HE2 TYR A 56 -9.175 -18.657 -24.567 1.00 20.42 H new ATOM 0 HH TYR A 56 -10.703 -18.707 -26.162 1.00 22.42 H new ATOM 931 N GLU A 57 -8.936 -17.156 -19.627 1.00 30.03 N ATOM 932 CA GLU A 57 -9.172 -18.564 -19.328 1.00 3.30 C ATOM 933 C GLU A 57 -10.447 -18.740 -18.508 1.00 44.11 C ATOM 934 O GLU A 57 -11.271 -19.606 -18.800 1.00 71.21 O ATOM 935 CB GLU A 57 -7.980 -19.154 -18.571 1.00 41.21 C ATOM 936 CG GLU A 57 -7.038 -19.959 -19.451 1.00 12.40 C ATOM 937 CD GLU A 57 -6.228 -20.971 -18.665 1.00 73.51 C ATOM 938 OE1 GLU A 57 -5.667 -20.595 -17.615 1.00 32.02 O ATOM 939 OE2 GLU A 57 -6.155 -22.140 -19.100 1.00 53.40 O ATOM 0 H GLU A 57 -8.069 -16.782 -19.242 1.00 30.03 H new ATOM 0 HA GLU A 57 -9.292 -19.094 -20.273 1.00 3.30 H new ATOM 0 HB2 GLU A 57 -7.422 -18.344 -18.101 1.00 41.21 H new ATOM 0 HB3 GLU A 57 -8.350 -19.793 -17.769 1.00 41.21 H new ATOM 0 HG2 GLU A 57 -7.616 -20.477 -20.216 1.00 12.40 H new ATOM 0 HG3 GLU A 57 -6.360 -19.280 -19.968 1.00 12.40 H new ATOM 946 N VAL A 58 -10.601 -17.912 -17.480 1.00 20.04 N ATOM 947 CA VAL A 58 -11.775 -17.975 -16.617 1.00 43.00 C ATOM 948 C VAL A 58 -12.999 -17.390 -17.312 1.00 12.34 C ATOM 949 O VAL A 58 -14.100 -17.935 -17.218 1.00 2.23 O ATOM 950 CB VAL A 58 -11.540 -17.222 -15.294 1.00 21.31 C ATOM 951 CG1 VAL A 58 -12.712 -17.428 -14.347 1.00 33.31 C ATOM 952 CG2 VAL A 58 -10.238 -17.673 -14.649 1.00 43.52 C ATOM 0 H VAL A 58 -9.928 -17.190 -17.224 1.00 20.04 H new ATOM 0 HA VAL A 58 -11.953 -19.028 -16.400 1.00 43.00 H new ATOM 0 HB VAL A 58 -11.462 -16.157 -15.511 1.00 21.31 H new ATOM 0 HG11 VAL A 58 -12.528 -16.889 -13.418 1.00 33.31 H new ATOM 0 HG12 VAL A 58 -13.624 -17.052 -14.810 1.00 33.31 H new ATOM 0 HG13 VAL A 58 -12.825 -18.491 -14.133 1.00 33.31 H new ATOM 0 HG21 VAL A 58 -10.088 -17.131 -13.715 1.00 43.52 H new ATOM 0 HG22 VAL A 58 -10.285 -18.743 -14.444 1.00 43.52 H new ATOM 0 HG23 VAL A 58 -9.407 -17.469 -15.325 1.00 43.52 H new ATOM 962 N LEU A 59 -12.801 -16.277 -18.009 1.00 41.23 N ATOM 963 CA LEU A 59 -13.889 -15.616 -18.722 1.00 33.24 C ATOM 964 C LEU A 59 -14.272 -16.396 -19.976 1.00 5.23 C ATOM 965 O LEU A 59 -15.266 -16.087 -20.632 1.00 11.41 O ATOM 966 CB LEU A 59 -13.487 -14.189 -19.097 1.00 51.03 C ATOM 967 CG LEU A 59 -13.980 -13.084 -18.162 1.00 32.51 C ATOM 968 CD1 LEU A 59 -13.623 -13.408 -16.719 1.00 51.34 C ATOM 969 CD2 LEU A 59 -13.396 -11.740 -18.570 1.00 3.14 C ATOM 0 H LEU A 59 -11.897 -15.813 -18.096 1.00 41.23 H new ATOM 0 HA LEU A 59 -14.755 -15.580 -18.061 1.00 33.24 H new ATOM 0 HB2 LEU A 59 -12.399 -14.140 -19.143 1.00 51.03 H new ATOM 0 HB3 LEU A 59 -13.858 -13.980 -20.100 1.00 51.03 H new ATOM 0 HG LEU A 59 -15.065 -13.024 -18.241 1.00 32.51 H new ATOM 0 HD11 LEU A 59 -13.981 -12.611 -16.068 1.00 51.34 H new ATOM 0 HD12 LEU A 59 -14.091 -14.350 -16.431 1.00 51.34 H new ATOM 0 HD13 LEU A 59 -12.541 -13.496 -16.623 1.00 51.34 H new ATOM 0 HD21 LEU A 59 -13.758 -10.966 -17.894 1.00 3.14 H new ATOM 0 HD22 LEU A 59 -12.308 -11.786 -18.520 1.00 3.14 H new ATOM 0 HD23 LEU A 59 -13.703 -11.504 -19.589 1.00 3.14 H new ATOM 981 N SER A 60 -13.476 -17.410 -20.302 1.00 0.54 N ATOM 982 CA SER A 60 -13.730 -18.233 -21.478 1.00 1.10 C ATOM 983 C SER A 60 -14.916 -19.163 -21.244 1.00 31.51 C ATOM 984 O SER A 60 -15.476 -19.723 -22.187 1.00 41.10 O ATOM 985 CB SER A 60 -12.487 -19.052 -21.832 1.00 1.35 C ATOM 986 OG SER A 60 -12.804 -20.094 -22.738 1.00 24.35 O ATOM 0 H SER A 60 -12.650 -17.681 -19.768 1.00 0.54 H new ATOM 0 HA SER A 60 -13.969 -17.570 -22.310 1.00 1.10 H new ATOM 0 HB2 SER A 60 -11.732 -18.401 -22.272 1.00 1.35 H new ATOM 0 HB3 SER A 60 -12.055 -19.474 -20.925 1.00 1.35 H new ATOM 0 HG SER A 60 -11.993 -20.602 -22.950 1.00 24.35 H new ATOM 992 N ASP A 61 -15.294 -19.324 -19.980 1.00 44.24 N ATOM 993 CA ASP A 61 -16.414 -20.185 -19.621 1.00 22.44 C ATOM 994 C ASP A 61 -17.330 -19.494 -18.616 1.00 55.13 C ATOM 995 O ASP A 61 -16.872 -18.975 -17.599 1.00 13.00 O ATOM 996 CB ASP A 61 -15.904 -21.505 -19.040 1.00 22.23 C ATOM 997 CG ASP A 61 -16.761 -22.687 -19.448 1.00 61.11 C ATOM 998 OD1 ASP A 61 -16.234 -23.599 -20.120 1.00 50.41 O ATOM 999 OD2 ASP A 61 -17.958 -22.701 -19.095 1.00 35.01 O ATOM 0 H ASP A 61 -14.841 -18.869 -19.187 1.00 44.24 H new ATOM 0 HA ASP A 61 -16.986 -20.391 -20.526 1.00 22.44 H new ATOM 0 HB2 ASP A 61 -14.879 -21.672 -19.371 1.00 22.23 H new ATOM 0 HB3 ASP A 61 -15.881 -21.435 -17.952 1.00 22.23 H new ATOM 1004 N GLU A 62 -18.627 -19.490 -18.911 1.00 21.34 N ATOM 1005 CA GLU A 62 -19.607 -18.860 -18.034 1.00 21.43 C ATOM 1006 C GLU A 62 -19.470 -19.378 -16.605 1.00 34.13 C ATOM 1007 O GLU A 62 -19.564 -18.614 -15.644 1.00 3.00 O ATOM 1008 CB GLU A 62 -21.025 -19.118 -18.548 1.00 23.40 C ATOM 1009 CG GLU A 62 -21.321 -20.586 -18.806 1.00 63.25 C ATOM 1010 CD GLU A 62 -22.609 -20.794 -19.578 1.00 74.31 C ATOM 1011 OE1 GLU A 62 -22.858 -20.029 -20.533 1.00 73.13 O ATOM 1012 OE2 GLU A 62 -23.369 -21.721 -19.227 1.00 63.31 O ATOM 0 H GLU A 62 -19.023 -19.915 -19.749 1.00 21.34 H new ATOM 0 HA GLU A 62 -19.419 -17.786 -18.033 1.00 21.43 H new ATOM 0 HB2 GLU A 62 -21.741 -18.734 -17.822 1.00 23.40 H new ATOM 0 HB3 GLU A 62 -21.175 -18.558 -19.471 1.00 23.40 H new ATOM 0 HG2 GLU A 62 -20.494 -21.028 -19.361 1.00 63.25 H new ATOM 0 HG3 GLU A 62 -21.383 -21.113 -17.854 1.00 63.25 H new ATOM 1019 N VAL A 63 -19.249 -20.682 -16.473 1.00 34.35 N ATOM 1020 CA VAL A 63 -19.099 -21.303 -15.162 1.00 34.31 C ATOM 1021 C VAL A 63 -17.895 -20.736 -14.420 1.00 23.04 C ATOM 1022 O VAL A 63 -17.997 -20.338 -13.259 1.00 52.21 O ATOM 1023 CB VAL A 63 -18.943 -22.831 -15.279 1.00 74.14 C ATOM 1024 CG1 VAL A 63 -18.982 -23.479 -13.904 1.00 32.31 C ATOM 1025 CG2 VAL A 63 -20.024 -23.409 -16.181 1.00 11.23 C ATOM 0 H VAL A 63 -19.170 -21.329 -17.258 1.00 34.35 H new ATOM 0 HA VAL A 63 -20.006 -21.080 -14.601 1.00 34.31 H new ATOM 0 HB VAL A 63 -17.973 -23.046 -15.728 1.00 74.14 H new ATOM 0 HG11 VAL A 63 -18.870 -24.558 -14.007 1.00 32.31 H new ATOM 0 HG12 VAL A 63 -18.169 -23.087 -13.294 1.00 32.31 H new ATOM 0 HG13 VAL A 63 -19.935 -23.257 -13.424 1.00 32.31 H new ATOM 0 HG21 VAL A 63 -19.899 -24.489 -16.253 1.00 11.23 H new ATOM 0 HG22 VAL A 63 -21.005 -23.184 -15.763 1.00 11.23 H new ATOM 0 HG23 VAL A 63 -19.943 -22.968 -17.174 1.00 11.23 H new ATOM 1035 N LYS A 64 -16.752 -20.701 -15.097 1.00 20.52 N ATOM 1036 CA LYS A 64 -15.526 -20.181 -14.503 1.00 61.25 C ATOM 1037 C LYS A 64 -15.666 -18.698 -14.177 1.00 51.23 C ATOM 1038 O LYS A 64 -15.247 -18.245 -13.112 1.00 53.40 O ATOM 1039 CB LYS A 64 -14.345 -20.396 -15.452 1.00 63.24 C ATOM 1040 CG LYS A 64 -13.885 -21.842 -15.534 1.00 10.52 C ATOM 1041 CD LYS A 64 -12.398 -21.938 -15.829 1.00 4.11 C ATOM 1042 CE LYS A 64 -11.563 -21.466 -14.648 1.00 33.43 C ATOM 1043 NZ LYS A 64 -10.119 -21.779 -14.829 1.00 44.21 N ATOM 0 H LYS A 64 -16.649 -21.027 -16.058 1.00 20.52 H new ATOM 0 HA LYS A 64 -15.343 -20.723 -13.575 1.00 61.25 H new ATOM 0 HB2 LYS A 64 -14.624 -20.055 -16.449 1.00 63.24 H new ATOM 0 HB3 LYS A 64 -13.510 -19.776 -15.126 1.00 63.24 H new ATOM 0 HG2 LYS A 64 -14.104 -22.348 -14.594 1.00 10.52 H new ATOM 0 HG3 LYS A 64 -14.445 -22.359 -16.313 1.00 10.52 H new ATOM 0 HD2 LYS A 64 -12.140 -22.969 -16.069 1.00 4.11 H new ATOM 0 HD3 LYS A 64 -12.161 -21.337 -16.707 1.00 4.11 H new ATOM 0 HE2 LYS A 64 -11.688 -20.391 -14.521 1.00 33.43 H new ATOM 0 HE3 LYS A 64 -11.925 -21.939 -13.735 1.00 33.43 H new ATOM 0 HZ1 LYS A 64 -9.584 -21.441 -14.003 1.00 44.21 H new ATOM 0 HZ2 LYS A 64 -9.996 -22.807 -14.924 1.00 44.21 H new ATOM 0 HZ3 LYS A 64 -9.766 -21.307 -15.686 1.00 44.21 H new ATOM 1057 N ARG A 65 -16.259 -17.947 -15.100 1.00 62.11 N ATOM 1058 CA ARG A 65 -16.454 -16.515 -14.910 1.00 13.02 C ATOM 1059 C ARG A 65 -17.397 -16.246 -13.740 1.00 44.52 C ATOM 1060 O ARG A 65 -17.119 -15.403 -12.886 1.00 70.31 O ATOM 1061 CB ARG A 65 -17.013 -15.881 -16.185 1.00 42.01 C ATOM 1062 CG ARG A 65 -17.120 -14.366 -16.116 1.00 21.41 C ATOM 1063 CD ARG A 65 -17.553 -13.777 -17.449 1.00 63.02 C ATOM 1064 NE ARG A 65 -18.856 -14.281 -17.873 1.00 53.01 N ATOM 1065 CZ ARG A 65 -20.011 -13.805 -17.420 1.00 62.22 C ATOM 1066 NH1 ARG A 65 -20.023 -12.819 -16.534 1.00 54.34 N ATOM 1067 NH2 ARG A 65 -21.156 -14.316 -17.854 1.00 11.01 N ATOM 0 H ARG A 65 -16.613 -18.307 -15.987 1.00 62.11 H new ATOM 0 HA ARG A 65 -15.486 -16.068 -14.685 1.00 13.02 H new ATOM 0 HB2 ARG A 65 -16.375 -16.154 -17.026 1.00 42.01 H new ATOM 0 HB3 ARG A 65 -18.000 -16.298 -16.385 1.00 42.01 H new ATOM 0 HG2 ARG A 65 -17.836 -14.086 -15.343 1.00 21.41 H new ATOM 0 HG3 ARG A 65 -16.157 -13.945 -15.826 1.00 21.41 H new ATOM 0 HD2 ARG A 65 -17.593 -12.691 -17.369 1.00 63.02 H new ATOM 0 HD3 ARG A 65 -16.808 -14.014 -18.209 1.00 63.02 H new ATOM 0 HE ARG A 65 -18.881 -15.040 -18.554 1.00 53.01 H new ATOM 0 HH11 ARG A 65 -19.144 -12.424 -16.199 1.00 54.34 H new ATOM 0 HH12 ARG A 65 -20.911 -12.455 -16.188 1.00 54.34 H new ATOM 0 HH21 ARG A 65 -21.150 -15.075 -18.536 1.00 11.01 H new ATOM 0 HH22 ARG A 65 -22.042 -13.950 -17.506 1.00 11.01 H new ATOM 1081 N LYS A 66 -18.513 -16.966 -13.708 1.00 44.03 N ATOM 1082 CA LYS A 66 -19.497 -16.807 -12.644 1.00 44.52 C ATOM 1083 C LYS A 66 -18.923 -17.248 -11.302 1.00 3.03 C ATOM 1084 O LYS A 66 -19.088 -16.565 -10.292 1.00 14.24 O ATOM 1085 CB LYS A 66 -20.757 -17.614 -12.962 1.00 53.22 C ATOM 1086 CG LYS A 66 -21.588 -17.026 -14.090 1.00 4.10 C ATOM 1087 CD LYS A 66 -22.159 -15.669 -13.713 1.00 62.23 C ATOM 1088 CE LYS A 66 -21.342 -14.535 -14.313 1.00 0.34 C ATOM 1089 NZ LYS A 66 -21.398 -13.307 -13.472 1.00 50.30 N ATOM 0 H LYS A 66 -18.759 -17.666 -14.408 1.00 44.03 H new ATOM 0 HA LYS A 66 -19.757 -15.750 -12.578 1.00 44.52 H new ATOM 0 HB2 LYS A 66 -20.469 -18.632 -13.226 1.00 53.22 H new ATOM 0 HB3 LYS A 66 -21.372 -17.680 -12.065 1.00 53.22 H new ATOM 0 HG2 LYS A 66 -20.972 -16.927 -14.984 1.00 4.10 H new ATOM 0 HG3 LYS A 66 -22.401 -17.708 -14.338 1.00 4.10 H new ATOM 0 HD2 LYS A 66 -23.190 -15.598 -14.058 1.00 62.23 H new ATOM 0 HD3 LYS A 66 -22.179 -15.570 -12.628 1.00 62.23 H new ATOM 0 HE2 LYS A 66 -20.305 -14.853 -14.423 1.00 0.34 H new ATOM 0 HE3 LYS A 66 -21.714 -14.308 -15.312 1.00 0.34 H new ATOM 0 HZ1 LYS A 66 -20.829 -12.557 -13.914 1.00 50.30 H new ATOM 0 HZ2 LYS A 66 -22.385 -12.989 -13.387 1.00 50.30 H new ATOM 0 HZ3 LYS A 66 -21.020 -13.516 -12.526 1.00 50.30 H new ATOM 1103 N GLN A 67 -18.247 -18.392 -11.300 1.00 21.53 N ATOM 1104 CA GLN A 67 -17.648 -18.923 -10.081 1.00 31.32 C ATOM 1105 C GLN A 67 -16.647 -17.935 -9.491 1.00 71.31 C ATOM 1106 O GLN A 67 -16.595 -17.739 -8.277 1.00 33.03 O ATOM 1107 CB GLN A 67 -16.958 -20.258 -10.366 1.00 64.12 C ATOM 1108 CG GLN A 67 -17.912 -21.441 -10.405 1.00 40.34 C ATOM 1109 CD GLN A 67 -18.730 -21.573 -9.136 1.00 53.41 C ATOM 1110 OE1 GLN A 67 -18.284 -22.169 -8.155 1.00 74.05 O ATOM 1111 NE2 GLN A 67 -19.935 -21.015 -9.148 1.00 13.13 N ATOM 0 H GLN A 67 -18.100 -18.969 -12.128 1.00 21.53 H new ATOM 0 HA GLN A 67 -18.445 -19.082 -9.354 1.00 31.32 H new ATOM 0 HB2 GLN A 67 -16.436 -20.191 -11.321 1.00 64.12 H new ATOM 0 HB3 GLN A 67 -16.202 -20.437 -9.602 1.00 64.12 H new ATOM 0 HG2 GLN A 67 -18.584 -21.333 -11.256 1.00 40.34 H new ATOM 0 HG3 GLN A 67 -17.343 -22.357 -10.563 1.00 40.34 H new ATOM 0 HE21 GLN A 67 -20.264 -20.531 -9.983 1.00 13.13 H new ATOM 0 HE22 GLN A 67 -20.531 -21.071 -8.322 1.00 13.13 H new ATOM 1120 N TYR A 68 -15.854 -17.316 -10.358 1.00 63.31 N ATOM 1121 CA TYR A 68 -14.852 -16.351 -9.923 1.00 1.52 C ATOM 1122 C TYR A 68 -15.513 -15.104 -9.343 1.00 1.13 C ATOM 1123 O TYR A 68 -15.021 -14.519 -8.378 1.00 1.43 O ATOM 1124 CB TYR A 68 -13.945 -15.963 -11.092 1.00 24.22 C ATOM 1125 CG TYR A 68 -13.010 -14.816 -10.779 1.00 34.20 C ATOM 1126 CD1 TYR A 68 -11.922 -14.992 -9.933 1.00 12.11 C ATOM 1127 CD2 TYR A 68 -13.216 -13.557 -11.328 1.00 52.24 C ATOM 1128 CE1 TYR A 68 -11.066 -13.947 -9.644 1.00 12.24 C ATOM 1129 CE2 TYR A 68 -12.365 -12.506 -11.046 1.00 24.41 C ATOM 1130 CZ TYR A 68 -11.291 -12.706 -10.203 1.00 33.31 C ATOM 1131 OH TYR A 68 -10.442 -11.662 -9.918 1.00 24.12 O ATOM 0 H TYR A 68 -15.886 -17.465 -11.366 1.00 63.31 H new ATOM 0 HA TYR A 68 -14.250 -16.818 -9.144 1.00 1.52 H new ATOM 0 HB2 TYR A 68 -13.355 -16.831 -11.387 1.00 24.22 H new ATOM 0 HB3 TYR A 68 -14.564 -15.693 -11.947 1.00 24.22 H new ATOM 0 HD1 TYR A 68 -11.742 -15.962 -9.494 1.00 12.11 H new ATOM 0 HD2 TYR A 68 -14.056 -13.397 -11.987 1.00 52.24 H new ATOM 0 HE1 TYR A 68 -10.225 -14.101 -8.984 1.00 12.24 H new ATOM 0 HE2 TYR A 68 -12.539 -11.534 -11.483 1.00 24.41 H new ATOM 0 HH TYR A 68 -9.543 -12.010 -9.742 1.00 24.12 H new ATOM 1141 N ASP A 69 -16.631 -14.704 -9.938 1.00 32.11 N ATOM 1142 CA ASP A 69 -17.362 -13.528 -9.481 1.00 35.23 C ATOM 1143 C ASP A 69 -17.961 -13.764 -8.098 1.00 31.45 C ATOM 1144 O ASP A 69 -18.147 -12.827 -7.323 1.00 1.35 O ATOM 1145 CB ASP A 69 -18.469 -13.171 -10.475 1.00 3.15 C ATOM 1146 CG ASP A 69 -19.460 -12.175 -9.904 1.00 61.44 C ATOM 1147 OD1 ASP A 69 -20.662 -12.507 -9.836 1.00 71.24 O ATOM 1148 OD2 ASP A 69 -19.033 -11.065 -9.525 1.00 52.13 O ATOM 0 H ASP A 69 -17.051 -15.177 -10.738 1.00 32.11 H new ATOM 0 HA ASP A 69 -16.660 -12.697 -9.416 1.00 35.23 H new ATOM 0 HB2 ASP A 69 -18.022 -12.757 -11.379 1.00 3.15 H new ATOM 0 HB3 ASP A 69 -18.998 -14.078 -10.767 1.00 3.15 H new ATOM 1153 N ALA A 70 -18.262 -15.023 -7.796 1.00 24.25 N ATOM 1154 CA ALA A 70 -18.838 -15.383 -6.506 1.00 13.40 C ATOM 1155 C ALA A 70 -17.891 -15.030 -5.364 1.00 34.22 C ATOM 1156 O ALA A 70 -18.326 -14.612 -4.290 1.00 74.44 O ATOM 1157 CB ALA A 70 -19.178 -16.866 -6.474 1.00 45.54 C ATOM 0 H ALA A 70 -18.116 -15.811 -8.427 1.00 24.25 H new ATOM 0 HA ALA A 70 -19.755 -14.809 -6.373 1.00 13.40 H new ATOM 0 HB1 ALA A 70 -19.607 -17.120 -5.505 1.00 45.54 H new ATOM 0 HB2 ALA A 70 -19.899 -17.091 -7.260 1.00 45.54 H new ATOM 0 HB3 ALA A 70 -18.272 -17.451 -6.634 1.00 45.54 H new ATOM 1163 N TYR A 71 -16.596 -15.202 -5.601 1.00 41.04 N ATOM 1164 CA TYR A 71 -15.588 -14.905 -4.591 1.00 5.10 C ATOM 1165 C TYR A 71 -14.944 -13.546 -4.847 1.00 3.40 C ATOM 1166 O TYR A 71 -13.804 -13.302 -4.453 1.00 11.41 O ATOM 1167 CB TYR A 71 -14.515 -15.995 -4.575 1.00 44.01 C ATOM 1168 CG TYR A 71 -15.018 -17.333 -4.083 1.00 31.02 C ATOM 1169 CD1 TYR A 71 -15.482 -17.487 -2.782 1.00 41.10 C ATOM 1170 CD2 TYR A 71 -15.029 -18.443 -4.918 1.00 33.42 C ATOM 1171 CE1 TYR A 71 -15.942 -18.708 -2.328 1.00 13.45 C ATOM 1172 CE2 TYR A 71 -15.489 -19.667 -4.472 1.00 72.44 C ATOM 1173 CZ TYR A 71 -15.944 -19.795 -3.177 1.00 14.45 C ATOM 1174 OH TYR A 71 -16.402 -21.013 -2.729 1.00 0.44 O ATOM 0 H TYR A 71 -16.219 -15.546 -6.484 1.00 41.04 H new ATOM 0 HA TYR A 71 -16.082 -14.876 -3.620 1.00 5.10 H new ATOM 0 HB2 TYR A 71 -14.116 -16.115 -5.582 1.00 44.01 H new ATOM 0 HB3 TYR A 71 -13.690 -15.671 -3.941 1.00 44.01 H new ATOM 0 HD1 TYR A 71 -15.483 -16.638 -2.115 1.00 41.10 H new ATOM 0 HD2 TYR A 71 -14.672 -18.348 -5.933 1.00 33.42 H new ATOM 0 HE1 TYR A 71 -16.298 -18.811 -1.314 1.00 13.45 H new ATOM 0 HE2 TYR A 71 -15.492 -20.520 -5.135 1.00 72.44 H new ATOM 0 HH TYR A 71 -16.337 -21.673 -3.451 1.00 0.44 H new ATOM 1184 N GLY A 72 -15.684 -12.663 -5.510 1.00 52.35 N ATOM 1185 CA GLY A 72 -15.171 -11.338 -5.808 1.00 63.41 C ATOM 1186 C GLY A 72 -15.619 -10.302 -4.797 1.00 24.14 C ATOM 1187 O GLY A 72 -16.424 -10.595 -3.913 1.00 3.13 O ATOM 0 H GLY A 72 -16.630 -12.841 -5.846 1.00 52.35 H new ATOM 0 HA2 GLY A 72 -14.082 -11.370 -5.832 1.00 63.41 H new ATOM 0 HA3 GLY A 72 -15.503 -11.038 -6.802 1.00 63.41 H new ATOM 1191 N SER A 73 -15.095 -9.087 -4.925 1.00 22.21 N ATOM 1192 CA SER A 73 -15.441 -8.005 -4.011 1.00 55.01 C ATOM 1193 C SER A 73 -15.992 -6.804 -4.775 1.00 20.42 C ATOM 1194 O SER A 73 -15.538 -6.495 -5.875 1.00 43.01 O ATOM 1195 CB SER A 73 -14.217 -7.587 -3.195 1.00 11.44 C ATOM 1196 OG SER A 73 -13.570 -8.715 -2.631 1.00 53.51 O ATOM 0 H SER A 73 -14.429 -8.827 -5.653 1.00 22.21 H new ATOM 0 HA SER A 73 -16.213 -8.368 -3.333 1.00 55.01 H new ATOM 0 HB2 SER A 73 -13.519 -7.045 -3.833 1.00 11.44 H new ATOM 0 HB3 SER A 73 -14.521 -6.904 -2.402 1.00 11.44 H new ATOM 0 HG SER A 73 -12.790 -8.421 -2.116 1.00 53.51 H new TER 1202 SER A 73