USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 768 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: B 138 THR OG1 : rot 80:sc= -0.958 USER MOD Set 1.2: B 139 GLN : amide:sc= -2.15! C(o=-3.1!,f=-3.4!) USER MOD Set 2.1: A 33 GLN : amide:sc= -5.03! C(o=-6.5!,f=-8.7!) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.43 K(o=-6.5,f=-8!) USER MOD Single : A 1 ASP N :NH3+ -169:sc= -0.141 (180deg=-0.263) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0162) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.286 X(o=0.29,f=-0.13) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0.177 (180deg=-0.258) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0.58 (180deg=0.58) USER MOD Single : A 19 GLN : amide:sc= -2.27 K(o=-2.3,f=-3.7!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.51 F(o=-3.9!,f=-1.5) USER MOD Single : A 25 MET CE :methyl -99:sc= -0.321 (180deg=-2.26!) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.895 USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0.732 (180deg=0.729) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -137:sc= 0.659 USER MOD Single : A 39 GLN : amide:sc= -0.422 K(o=-0.42,f=-1.3) USER MOD Single : B 103 LYS NZ :NH3+ 151:sc= -0.831 (180deg=-1.82!) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.042) USER MOD Single : B 113 ASN :FLIP amide:sc= -0.037 F(o=-0.73,f=-0.037) USER MOD Single : B 115 LYS NZ :NH3+ 131:sc= 1.06 (180deg=-0.112) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -2.94 X(o=-2.9,f=-3.3!) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 THR OG1 : rot 71:sc= 1.01 USER MOD Single : B 124 ASN :FLIP amide:sc= -0.928 F(o=-3.2!,f=-0.93) USER MOD Single : B 125 MET CE :methyl 160:sc= -0.207 (180deg=-0.952) USER MOD Single : B 128 THR OG1 : rot 68:sc= 1.15 USER MOD Single : B 131 LYS NZ :NH3+ -167:sc= 0.927 (180deg=0.784) USER MOD Single : B 133 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : B 136 LYS NZ :NH3+ -147:sc= -0.945 (180deg=-2.92!) USER MOD Single : B 141 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.378 -9.433 24.186 1.00 23.34 N ATOM 2 CA ASP A 1 15.138 -8.370 23.182 1.00 71.51 C ATOM 3 C ASP A 1 13.903 -8.667 22.318 1.00 63.33 C ATOM 4 O ASP A 1 13.464 -7.803 21.577 1.00 64.10 O ATOM 5 CB ASP A 1 16.394 -8.207 22.296 1.00 13.42 C ATOM 6 CG ASP A 1 17.633 -7.809 23.116 1.00 52.42 C ATOM 7 OD1 ASP A 1 18.321 -8.708 23.642 1.00 31.15 O ATOM 8 OD2 ASP A 1 17.900 -6.601 23.274 1.00 74.43 O ATOM 0 H1 ASP A 1 16.098 -9.113 24.865 1.00 23.34 H new ATOM 0 H2 ASP A 1 14.493 -9.640 24.691 1.00 23.34 H new ATOM 0 H3 ASP A 1 15.712 -10.294 23.707 1.00 23.34 H new ATOM 0 HA ASP A 1 14.941 -7.438 23.712 1.00 71.51 H new ATOM 0 HB2 ASP A 1 16.592 -9.142 21.772 1.00 13.42 H new ATOM 0 HB3 ASP A 1 16.205 -7.450 21.535 1.00 13.42 H new ATOM 15 N PHE A 2 13.331 -9.879 22.437 1.00 12.34 N ATOM 16 CA PHE A 2 12.176 -10.332 21.615 1.00 31.32 C ATOM 17 C PHE A 2 10.921 -9.412 21.684 1.00 52.42 C ATOM 18 O PHE A 2 10.035 -9.539 20.825 1.00 60.03 O ATOM 19 CB PHE A 2 11.791 -11.788 21.979 1.00 63.43 C ATOM 20 CG PHE A 2 12.700 -12.872 21.385 1.00 31.44 C ATOM 21 CD1 PHE A 2 13.638 -13.546 22.156 1.00 42.12 C ATOM 22 CD2 PHE A 2 12.581 -13.232 20.048 1.00 51.43 C ATOM 23 CE1 PHE A 2 14.424 -14.545 21.613 1.00 25.21 C ATOM 24 CE2 PHE A 2 13.366 -14.224 19.501 1.00 33.24 C ATOM 25 CZ PHE A 2 14.290 -14.885 20.285 1.00 11.14 C ATOM 0 H PHE A 2 13.652 -10.579 23.106 1.00 12.34 H new ATOM 0 HA PHE A 2 12.521 -10.277 20.583 1.00 31.32 H new ATOM 0 HB2 PHE A 2 11.795 -11.887 23.064 1.00 63.43 H new ATOM 0 HB3 PHE A 2 10.769 -11.971 21.646 1.00 63.43 H new ATOM 0 HD1 PHE A 2 13.755 -13.285 23.197 1.00 42.12 H new ATOM 0 HD2 PHE A 2 11.859 -12.724 19.425 1.00 51.43 H new ATOM 0 HE1 PHE A 2 15.145 -15.060 22.231 1.00 25.21 H new ATOM 0 HE2 PHE A 2 13.258 -14.484 18.458 1.00 33.24 H new ATOM 0 HZ PHE A 2 14.905 -15.665 19.859 1.00 11.14 H new ATOM 35 N LYS A 3 10.833 -8.491 22.678 1.00 75.54 N ATOM 36 CA LYS A 3 9.734 -7.500 22.702 1.00 31.31 C ATOM 37 C LYS A 3 9.903 -6.502 21.530 1.00 2.33 C ATOM 38 O LYS A 3 8.923 -6.142 20.859 1.00 64.21 O ATOM 39 CB LYS A 3 9.607 -6.743 24.069 1.00 23.44 C ATOM 40 CG LYS A 3 10.508 -5.490 24.253 1.00 42.25 C ATOM 41 CD LYS A 3 11.968 -5.810 24.653 1.00 23.42 C ATOM 42 CE LYS A 3 12.096 -6.134 26.155 1.00 75.42 C ATOM 43 NZ LYS A 3 13.511 -6.324 26.573 1.00 14.11 N ATOM 0 H LYS A 3 11.492 -8.416 23.453 1.00 75.54 H new ATOM 0 HA LYS A 3 8.802 -8.053 22.582 1.00 31.31 H new ATOM 0 HB2 LYS A 3 8.568 -6.438 24.195 1.00 23.44 H new ATOM 0 HB3 LYS A 3 9.832 -7.446 24.871 1.00 23.44 H new ATOM 0 HG2 LYS A 3 10.515 -4.922 23.323 1.00 42.25 H new ATOM 0 HG3 LYS A 3 10.067 -4.848 25.016 1.00 42.25 H new ATOM 0 HD2 LYS A 3 12.327 -6.656 24.067 1.00 23.42 H new ATOM 0 HD3 LYS A 3 12.606 -4.960 24.410 1.00 23.42 H new ATOM 0 HE2 LYS A 3 11.653 -5.326 26.738 1.00 75.42 H new ATOM 0 HE3 LYS A 3 11.529 -7.037 26.379 1.00 75.42 H new ATOM 0 HZ1 LYS A 3 13.547 -6.540 27.590 1.00 14.11 H new ATOM 0 HZ2 LYS A 3 13.929 -7.112 26.037 1.00 14.11 H new ATOM 0 HZ3 LYS A 3 14.048 -5.454 26.385 1.00 14.11 H new ATOM 57 N LYS A 4 11.168 -6.074 21.281 1.00 5.40 N ATOM 58 CA LYS A 4 11.483 -5.151 20.189 1.00 34.10 C ATOM 59 C LYS A 4 11.417 -5.886 18.845 1.00 23.33 C ATOM 60 O LYS A 4 11.171 -5.249 17.842 1.00 12.20 O ATOM 61 CB LYS A 4 12.855 -4.437 20.420 1.00 43.42 C ATOM 62 CG LYS A 4 14.130 -5.262 20.087 1.00 44.41 C ATOM 63 CD LYS A 4 14.795 -4.868 18.731 1.00 23.44 C ATOM 64 CE LYS A 4 15.751 -5.950 18.211 1.00 41.33 C ATOM 65 NZ LYS A 4 16.427 -5.581 16.934 1.00 13.50 N ATOM 0 H LYS A 4 11.979 -6.361 21.830 1.00 5.40 H new ATOM 0 HA LYS A 4 10.733 -4.360 20.168 1.00 34.10 H new ATOM 0 HB2 LYS A 4 12.871 -3.527 19.821 1.00 43.42 H new ATOM 0 HB3 LYS A 4 12.909 -4.132 21.465 1.00 43.42 H new ATOM 0 HG2 LYS A 4 14.856 -5.132 20.889 1.00 44.41 H new ATOM 0 HG3 LYS A 4 13.871 -6.320 20.061 1.00 44.41 H new ATOM 0 HD2 LYS A 4 14.018 -4.686 17.988 1.00 23.44 H new ATOM 0 HD3 LYS A 4 15.342 -3.933 18.856 1.00 23.44 H new ATOM 0 HE2 LYS A 4 16.508 -6.150 18.969 1.00 41.33 H new ATOM 0 HE3 LYS A 4 15.194 -6.876 18.064 1.00 41.33 H new ATOM 0 HZ1 LYS A 4 16.894 -6.420 16.534 1.00 13.50 H new ATOM 0 HZ2 LYS A 4 15.722 -5.222 16.259 1.00 13.50 H new ATOM 0 HZ3 LYS A 4 17.137 -4.844 17.118 1.00 13.50 H new ATOM 79 N LEU A 5 11.610 -7.237 18.845 1.00 24.21 N ATOM 80 CA LEU A 5 11.407 -8.076 17.635 1.00 12.43 C ATOM 81 C LEU A 5 10.009 -7.847 17.053 1.00 63.35 C ATOM 82 O LEU A 5 9.859 -7.635 15.836 1.00 63.51 O ATOM 83 CB LEU A 5 11.555 -9.590 17.931 1.00 42.10 C ATOM 84 CG LEU A 5 11.392 -10.528 16.685 1.00 70.52 C ATOM 85 CD1 LEU A 5 12.596 -10.404 15.734 1.00 1.14 C ATOM 86 CD2 LEU A 5 11.134 -11.990 17.094 1.00 32.41 C ATOM 0 H LEU A 5 11.905 -7.762 19.668 1.00 24.21 H new ATOM 0 HA LEU A 5 12.179 -7.778 16.926 1.00 12.43 H new ATOM 0 HB2 LEU A 5 12.536 -9.764 18.372 1.00 42.10 H new ATOM 0 HB3 LEU A 5 10.814 -9.873 18.679 1.00 42.10 H new ATOM 0 HG LEU A 5 10.508 -10.195 16.141 1.00 70.52 H new ATOM 0 HD11 LEU A 5 12.455 -11.066 14.880 1.00 1.14 H new ATOM 0 HD12 LEU A 5 12.680 -9.375 15.385 1.00 1.14 H new ATOM 0 HD13 LEU A 5 13.507 -10.683 16.263 1.00 1.14 H new ATOM 0 HD21 LEU A 5 11.027 -12.604 16.200 1.00 32.41 H new ATOM 0 HD22 LEU A 5 11.972 -12.355 17.687 1.00 32.41 H new ATOM 0 HD23 LEU A 5 10.220 -12.047 17.684 1.00 32.41 H new ATOM 98 N TYR A 6 8.999 -7.890 17.952 1.00 71.44 N ATOM 99 CA TYR A 6 7.610 -7.591 17.604 1.00 73.41 C ATOM 100 C TYR A 6 7.522 -6.207 16.938 1.00 34.11 C ATOM 101 O TYR A 6 7.006 -6.090 15.831 1.00 72.45 O ATOM 102 CB TYR A 6 6.706 -7.678 18.866 1.00 43.52 C ATOM 103 CG TYR A 6 5.196 -7.657 18.566 1.00 52.43 C ATOM 104 CD1 TYR A 6 4.521 -6.457 18.318 1.00 73.11 C ATOM 105 CD2 TYR A 6 4.452 -8.839 18.507 1.00 44.01 C ATOM 106 CE1 TYR A 6 3.175 -6.438 18.022 1.00 33.04 C ATOM 107 CE2 TYR A 6 3.099 -8.820 18.214 1.00 24.12 C ATOM 108 CZ TYR A 6 2.466 -7.618 17.968 1.00 5.23 C ATOM 109 OH TYR A 6 1.120 -7.596 17.661 1.00 64.45 O ATOM 0 H TYR A 6 9.134 -8.133 18.933 1.00 71.44 H new ATOM 0 HA TYR A 6 7.250 -8.331 16.890 1.00 73.41 H new ATOM 0 HB2 TYR A 6 6.944 -8.594 19.407 1.00 43.52 H new ATOM 0 HB3 TYR A 6 6.945 -6.845 19.528 1.00 43.52 H new ATOM 0 HD1 TYR A 6 5.066 -5.526 18.359 1.00 73.11 H new ATOM 0 HD2 TYR A 6 4.941 -9.784 18.693 1.00 44.01 H new ATOM 0 HE1 TYR A 6 2.677 -5.499 17.833 1.00 33.04 H new ATOM 0 HE2 TYR A 6 2.540 -9.743 18.178 1.00 24.12 H new ATOM 0 HH TYR A 6 0.769 -8.511 17.663 1.00 64.45 H new ATOM 119 N GLU A 7 8.119 -5.201 17.604 1.00 53.03 N ATOM 120 CA GLU A 7 8.145 -3.798 17.148 1.00 2.13 C ATOM 121 C GLU A 7 8.814 -3.631 15.769 1.00 34.43 C ATOM 122 O GLU A 7 8.398 -2.773 14.999 1.00 5.22 O ATOM 123 CB GLU A 7 8.890 -2.935 18.199 1.00 44.32 C ATOM 124 CG GLU A 7 8.161 -2.809 19.553 1.00 62.52 C ATOM 125 CD GLU A 7 8.947 -1.974 20.578 1.00 40.22 C ATOM 126 OE1 GLU A 7 8.831 -0.728 20.568 1.00 54.44 O ATOM 127 OE2 GLU A 7 9.690 -2.561 21.393 1.00 24.33 O ATOM 0 H GLU A 7 8.605 -5.343 18.489 1.00 53.03 H new ATOM 0 HA GLU A 7 7.112 -3.468 17.041 1.00 2.13 H new ATOM 0 HB2 GLU A 7 9.877 -3.365 18.370 1.00 44.32 H new ATOM 0 HB3 GLU A 7 9.044 -1.937 17.789 1.00 44.32 H new ATOM 0 HG2 GLU A 7 7.184 -2.354 19.393 1.00 62.52 H new ATOM 0 HG3 GLU A 7 7.986 -3.805 19.960 1.00 62.52 H new ATOM 134 N GLN A 8 9.852 -4.443 15.485 1.00 41.11 N ATOM 135 CA GLN A 8 10.624 -4.354 14.221 1.00 22.30 C ATOM 136 C GLN A 8 9.773 -4.735 13.011 1.00 31.25 C ATOM 137 O GLN A 8 9.553 -3.898 12.116 1.00 54.35 O ATOM 138 CB GLN A 8 11.907 -5.230 14.256 1.00 13.42 C ATOM 139 CG GLN A 8 12.916 -4.886 15.373 1.00 53.03 C ATOM 140 CD GLN A 8 13.054 -3.380 15.644 1.00 32.14 C ATOM 141 OE1 GLN A 8 13.876 -2.694 15.042 1.00 41.22 O ATOM 142 NE2 GLN A 8 12.218 -2.860 16.537 1.00 42.22 N ATOM 0 H GLN A 8 10.180 -5.174 16.116 1.00 41.11 H new ATOM 0 HA GLN A 8 10.925 -3.311 14.123 1.00 22.30 H new ATOM 0 HB2 GLN A 8 11.611 -6.273 14.366 1.00 13.42 H new ATOM 0 HB3 GLN A 8 12.412 -5.142 13.294 1.00 13.42 H new ATOM 0 HG2 GLN A 8 12.609 -5.384 16.293 1.00 53.03 H new ATOM 0 HG3 GLN A 8 13.893 -5.288 15.103 1.00 53.03 H new ATOM 0 HE21 GLN A 8 11.548 -3.460 17.018 1.00 42.22 H new ATOM 0 HE22 GLN A 8 12.246 -1.861 16.741 1.00 42.22 H new ATOM 151 N ILE A 9 9.308 -6.004 12.986 1.00 53.03 N ATOM 152 CA ILE A 9 8.453 -6.504 11.902 1.00 64.42 C ATOM 153 C ILE A 9 7.148 -5.675 11.794 1.00 34.23 C ATOM 154 O ILE A 9 6.718 -5.343 10.700 1.00 23.40 O ATOM 155 CB ILE A 9 8.038 -8.009 12.083 1.00 24.40 C ATOM 156 CG1 ILE A 9 9.144 -8.880 12.741 1.00 10.14 C ATOM 157 CG2 ILE A 9 7.623 -8.605 10.714 1.00 52.22 C ATOM 158 CD1 ILE A 9 8.624 -10.238 13.167 1.00 55.12 C ATOM 0 H ILE A 9 9.514 -6.695 13.707 1.00 53.03 H new ATOM 0 HA ILE A 9 9.056 -6.409 10.999 1.00 64.42 H new ATOM 0 HB ILE A 9 7.192 -8.024 12.770 1.00 24.40 H new ATOM 0 HG12 ILE A 9 9.967 -9.012 12.038 1.00 10.14 H new ATOM 0 HG13 ILE A 9 9.547 -8.358 13.609 1.00 10.14 H new ATOM 0 HG21 ILE A 9 7.336 -9.649 10.843 1.00 52.22 H new ATOM 0 HG22 ILE A 9 6.779 -8.043 10.314 1.00 52.22 H new ATOM 0 HG23 ILE A 9 8.462 -8.543 10.021 1.00 52.22 H new ATOM 0 HD11 ILE A 9 9.432 -10.811 13.621 1.00 55.12 H new ATOM 0 HD12 ILE A 9 7.819 -10.109 13.891 1.00 55.12 H new ATOM 0 HD13 ILE A 9 8.246 -10.773 12.296 1.00 55.12 H new ATOM 170 N LEU A 10 6.533 -5.376 12.966 1.00 3.31 N ATOM 171 CA LEU A 10 5.233 -4.653 13.060 1.00 52.32 C ATOM 172 C LEU A 10 5.376 -3.194 12.577 1.00 40.13 C ATOM 173 O LEU A 10 4.429 -2.638 12.020 1.00 22.45 O ATOM 174 CB LEU A 10 4.644 -4.725 14.515 1.00 2.32 C ATOM 175 CG LEU A 10 3.073 -4.692 14.691 1.00 5.24 C ATOM 176 CD1 LEU A 10 2.439 -3.324 14.347 1.00 43.55 C ATOM 177 CD2 LEU A 10 2.396 -5.832 13.890 1.00 21.41 C ATOM 0 H LEU A 10 6.922 -5.628 13.874 1.00 3.31 H new ATOM 0 HA LEU A 10 4.524 -5.151 12.399 1.00 52.32 H new ATOM 0 HB2 LEU A 10 5.011 -5.641 14.977 1.00 2.32 H new ATOM 0 HB3 LEU A 10 5.060 -3.893 15.083 1.00 2.32 H new ATOM 0 HG LEU A 10 2.890 -4.852 15.754 1.00 5.24 H new ATOM 0 HD11 LEU A 10 1.360 -3.377 14.491 1.00 43.55 H new ATOM 0 HD12 LEU A 10 2.855 -2.556 14.999 1.00 43.55 H new ATOM 0 HD13 LEU A 10 2.655 -3.074 13.308 1.00 43.55 H new ATOM 0 HD21 LEU A 10 1.316 -5.784 14.030 1.00 21.41 H new ATOM 0 HD22 LEU A 10 2.630 -5.721 12.831 1.00 21.41 H new ATOM 0 HD23 LEU A 10 2.765 -6.794 14.244 1.00 21.41 H new ATOM 189 N ALA A 11 6.562 -2.586 12.776 1.00 13.31 N ATOM 190 CA ALA A 11 6.849 -1.232 12.252 1.00 20.22 C ATOM 191 C ALA A 11 6.790 -1.243 10.722 1.00 33.12 C ATOM 192 O ALA A 11 6.198 -0.353 10.100 1.00 41.53 O ATOM 193 CB ALA A 11 8.216 -0.723 12.725 1.00 24.42 C ATOM 0 H ALA A 11 7.334 -3.007 13.293 1.00 13.31 H new ATOM 0 HA ALA A 11 6.090 -0.552 12.640 1.00 20.22 H new ATOM 0 HB1 ALA A 11 8.393 0.274 12.321 1.00 24.42 H new ATOM 0 HB2 ALA A 11 8.232 -0.681 13.814 1.00 24.42 H new ATOM 0 HB3 ALA A 11 8.997 -1.399 12.377 1.00 24.42 H new ATOM 199 N GLU A 12 7.389 -2.296 10.138 1.00 13.13 N ATOM 200 CA GLU A 12 7.362 -2.530 8.693 1.00 11.03 C ATOM 201 C GLU A 12 5.943 -2.924 8.228 1.00 13.14 C ATOM 202 O GLU A 12 5.503 -2.499 7.180 1.00 33.12 O ATOM 203 CB GLU A 12 8.370 -3.648 8.310 1.00 52.12 C ATOM 204 CG GLU A 12 8.682 -3.755 6.796 1.00 15.34 C ATOM 205 CD GLU A 12 9.700 -2.713 6.273 1.00 13.25 C ATOM 206 OE1 GLU A 12 9.588 -1.516 6.608 1.00 13.21 O ATOM 207 OE2 GLU A 12 10.596 -3.082 5.484 1.00 74.43 O ATOM 0 H GLU A 12 7.904 -3.006 10.659 1.00 13.13 H new ATOM 0 HA GLU A 12 7.648 -1.604 8.194 1.00 11.03 H new ATOM 0 HB2 GLU A 12 9.303 -3.475 8.847 1.00 52.12 H new ATOM 0 HB3 GLU A 12 7.977 -4.605 8.654 1.00 52.12 H new ATOM 0 HG2 GLU A 12 9.065 -4.754 6.587 1.00 15.34 H new ATOM 0 HG3 GLU A 12 7.752 -3.647 6.238 1.00 15.34 H new ATOM 214 N ASN A 13 5.243 -3.705 9.068 1.00 45.14 N ATOM 215 CA ASN A 13 3.924 -4.305 8.765 1.00 62.13 C ATOM 216 C ASN A 13 2.846 -3.215 8.626 1.00 1.25 C ATOM 217 O ASN A 13 2.038 -3.228 7.691 1.00 64.24 O ATOM 218 CB ASN A 13 3.551 -5.278 9.909 1.00 53.21 C ATOM 219 CG ASN A 13 2.326 -6.144 9.640 1.00 44.33 C ATOM 220 OD1 ASN A 13 2.549 -7.365 9.181 1.00 45.31 O flip ATOM 221 ND2 ASN A 13 1.189 -5.733 9.868 1.00 73.22 N flip ATOM 0 H ASN A 13 5.583 -3.945 9.999 1.00 45.14 H new ATOM 0 HA ASN A 13 3.980 -4.842 7.818 1.00 62.13 H new ATOM 0 HB2 ASN A 13 4.403 -5.929 10.105 1.00 53.21 H new ATOM 0 HB3 ASN A 13 3.377 -4.700 10.816 1.00 53.21 H new ATOM 0 HD21 ASN A 13 1.050 -4.786 10.222 1.00 73.22 H new ATOM 0 HD22 ASN A 13 0.385 -6.339 9.704 1.00 73.22 H new ATOM 228 N GLU A 14 2.875 -2.271 9.582 1.00 41.35 N ATOM 229 CA GLU A 14 1.999 -1.098 9.603 1.00 51.13 C ATOM 230 C GLU A 14 2.332 -0.158 8.444 1.00 45.34 C ATOM 231 O GLU A 14 1.426 0.358 7.779 1.00 51.22 O ATOM 232 CB GLU A 14 2.094 -0.357 10.979 1.00 43.15 C ATOM 233 CG GLU A 14 1.845 1.174 10.897 1.00 11.04 C ATOM 234 CD GLU A 14 1.329 1.809 12.200 1.00 2.35 C ATOM 235 OE1 GLU A 14 0.147 2.224 12.243 1.00 24.14 O ATOM 236 OE2 GLU A 14 2.092 1.887 13.178 1.00 64.35 O ATOM 0 H GLU A 14 3.519 -2.306 10.372 1.00 41.35 H new ATOM 0 HA GLU A 14 0.970 -1.435 9.478 1.00 51.13 H new ATOM 0 HB2 GLU A 14 1.370 -0.795 11.666 1.00 43.15 H new ATOM 0 HB3 GLU A 14 3.082 -0.531 11.405 1.00 43.15 H new ATOM 0 HG2 GLU A 14 2.775 1.666 10.612 1.00 11.04 H new ATOM 0 HG3 GLU A 14 1.125 1.370 10.103 1.00 11.04 H new ATOM 243 N LYS A 15 3.636 0.084 8.240 1.00 34.34 N ATOM 244 CA LYS A 15 4.133 0.849 7.091 1.00 5.23 C ATOM 245 C LYS A 15 3.576 0.268 5.768 1.00 64.34 C ATOM 246 O LYS A 15 3.105 1.011 4.911 1.00 33.43 O ATOM 247 CB LYS A 15 5.681 0.828 7.044 1.00 5.24 C ATOM 248 CG LYS A 15 6.311 1.716 5.925 1.00 43.20 C ATOM 249 CD LYS A 15 7.592 1.105 5.303 1.00 55.02 C ATOM 250 CE LYS A 15 7.301 -0.159 4.467 1.00 2.41 C ATOM 251 NZ LYS A 15 8.549 -0.751 3.909 1.00 73.22 N ATOM 0 H LYS A 15 4.372 -0.245 8.866 1.00 34.34 H new ATOM 0 HA LYS A 15 3.793 1.878 7.206 1.00 5.23 H new ATOM 0 HB2 LYS A 15 6.065 1.157 8.010 1.00 5.24 H new ATOM 0 HB3 LYS A 15 6.013 -0.201 6.903 1.00 5.24 H new ATOM 0 HG2 LYS A 15 5.573 1.874 5.138 1.00 43.20 H new ATOM 0 HG3 LYS A 15 6.549 2.696 6.340 1.00 43.20 H new ATOM 0 HD2 LYS A 15 8.076 1.850 4.672 1.00 55.02 H new ATOM 0 HD3 LYS A 15 8.295 0.856 6.098 1.00 55.02 H new ATOM 0 HE2 LYS A 15 6.794 -0.897 5.088 1.00 2.41 H new ATOM 0 HE3 LYS A 15 6.622 0.092 3.652 1.00 2.41 H new ATOM 0 HZ1 LYS A 15 8.373 -1.740 3.638 1.00 73.22 H new ATOM 0 HZ2 LYS A 15 8.846 -0.210 3.072 1.00 73.22 H new ATOM 0 HZ3 LYS A 15 9.301 -0.717 4.627 1.00 73.22 H new ATOM 265 N LEU A 16 3.592 -1.084 5.667 1.00 5.41 N ATOM 266 CA LEU A 16 3.112 -1.827 4.486 1.00 34.31 C ATOM 267 C LEU A 16 1.586 -1.733 4.355 1.00 51.42 C ATOM 268 O LEU A 16 1.056 -1.732 3.246 1.00 52.25 O ATOM 269 CB LEU A 16 3.554 -3.310 4.526 1.00 41.15 C ATOM 270 CG LEU A 16 5.079 -3.576 4.368 1.00 53.01 C ATOM 271 CD1 LEU A 16 5.407 -5.068 4.562 1.00 72.53 C ATOM 272 CD2 LEU A 16 5.604 -3.066 3.018 1.00 50.34 C ATOM 0 H LEU A 16 3.942 -1.689 6.410 1.00 5.41 H new ATOM 0 HA LEU A 16 3.565 -1.362 3.610 1.00 34.31 H new ATOM 0 HB2 LEU A 16 3.227 -3.740 5.473 1.00 41.15 H new ATOM 0 HB3 LEU A 16 3.029 -3.846 3.735 1.00 41.15 H new ATOM 0 HG LEU A 16 5.590 -3.016 5.151 1.00 53.01 H new ATOM 0 HD11 LEU A 16 6.480 -5.223 4.446 1.00 72.53 H new ATOM 0 HD12 LEU A 16 5.101 -5.381 5.560 1.00 72.53 H new ATOM 0 HD13 LEU A 16 4.872 -5.658 3.817 1.00 72.53 H new ATOM 0 HD21 LEU A 16 6.672 -3.269 2.943 1.00 50.34 H new ATOM 0 HD22 LEU A 16 5.080 -3.574 2.208 1.00 50.34 H new ATOM 0 HD23 LEU A 16 5.432 -1.992 2.943 1.00 50.34 H new ATOM 284 N LYS A 17 0.901 -1.648 5.502 1.00 40.12 N ATOM 285 CA LYS A 17 -0.550 -1.430 5.564 1.00 74.41 C ATOM 286 C LYS A 17 -0.898 -0.004 5.076 1.00 53.31 C ATOM 287 O LYS A 17 -1.922 0.197 4.418 1.00 53.53 O ATOM 288 CB LYS A 17 -1.050 -1.749 7.013 1.00 34.22 C ATOM 289 CG LYS A 17 -2.480 -1.260 7.409 1.00 65.21 C ATOM 290 CD LYS A 17 -2.493 0.160 8.041 1.00 23.31 C ATOM 291 CE LYS A 17 -1.556 0.270 9.259 1.00 20.13 C ATOM 292 NZ LYS A 17 -1.585 1.621 9.880 1.00 2.31 N ATOM 0 H LYS A 17 1.340 -1.729 6.419 1.00 40.12 H new ATOM 0 HA LYS A 17 -1.076 -2.106 4.890 1.00 74.41 H new ATOM 0 HB2 LYS A 17 -1.015 -2.830 7.150 1.00 34.22 H new ATOM 0 HB3 LYS A 17 -0.340 -1.315 7.717 1.00 34.22 H new ATOM 0 HG2 LYS A 17 -3.115 -1.261 6.523 1.00 65.21 H new ATOM 0 HG3 LYS A 17 -2.916 -1.968 8.114 1.00 65.21 H new ATOM 0 HD2 LYS A 17 -2.195 0.892 7.290 1.00 23.31 H new ATOM 0 HD3 LYS A 17 -3.510 0.410 8.344 1.00 23.31 H new ATOM 0 HE2 LYS A 17 -1.843 -0.474 10.002 1.00 20.13 H new ATOM 0 HE3 LYS A 17 -0.537 0.037 8.951 1.00 20.13 H new ATOM 0 HZ1 LYS A 17 -0.938 1.643 10.694 1.00 2.31 H new ATOM 0 HZ2 LYS A 17 -1.286 2.331 9.181 1.00 2.31 H new ATOM 0 HZ3 LYS A 17 -2.551 1.836 10.199 1.00 2.31 H new ATOM 306 N ALA A 18 0.002 0.958 5.349 1.00 61.31 N ATOM 307 CA ALA A 18 -0.195 2.376 5.000 1.00 72.35 C ATOM 308 C ALA A 18 -0.028 2.598 3.484 1.00 45.43 C ATOM 309 O ALA A 18 -0.910 3.174 2.829 1.00 43.14 O ATOM 310 CB ALA A 18 0.792 3.247 5.792 1.00 53.22 C ATOM 0 H ALA A 18 0.888 0.773 5.819 1.00 61.31 H new ATOM 0 HA ALA A 18 -1.212 2.665 5.266 1.00 72.35 H new ATOM 0 HB1 ALA A 18 0.643 4.295 5.531 1.00 53.22 H new ATOM 0 HB2 ALA A 18 0.621 3.111 6.860 1.00 53.22 H new ATOM 0 HB3 ALA A 18 1.813 2.954 5.548 1.00 53.22 H new ATOM 316 N GLN A 19 1.109 2.115 2.941 1.00 31.54 N ATOM 317 CA GLN A 19 1.444 2.251 1.512 1.00 62.14 C ATOM 318 C GLN A 19 0.500 1.446 0.621 1.00 41.23 C ATOM 319 O GLN A 19 0.158 1.911 -0.467 1.00 32.13 O ATOM 320 CB GLN A 19 2.930 1.866 1.264 1.00 4.11 C ATOM 321 CG GLN A 19 3.379 0.527 1.893 1.00 61.33 C ATOM 322 CD GLN A 19 3.594 -0.634 0.922 1.00 32.11 C ATOM 323 OE1 GLN A 19 4.653 -0.752 0.305 1.00 12.45 O ATOM 324 NE2 GLN A 19 2.636 -1.549 0.857 1.00 62.22 N ATOM 0 H GLN A 19 1.818 1.621 3.482 1.00 31.54 H new ATOM 0 HA GLN A 19 1.311 3.298 1.238 1.00 62.14 H new ATOM 0 HB2 GLN A 19 3.101 1.819 0.189 1.00 4.11 H new ATOM 0 HB3 GLN A 19 3.564 2.662 1.653 1.00 4.11 H new ATOM 0 HG2 GLN A 19 4.309 0.698 2.435 1.00 61.33 H new ATOM 0 HG3 GLN A 19 2.632 0.226 2.628 1.00 61.33 H new ATOM 0 HE21 GLN A 19 1.771 -1.420 1.381 1.00 62.22 H new ATOM 0 HE22 GLN A 19 2.765 -2.382 0.283 1.00 62.22 H new ATOM 333 N LEU A 20 0.068 0.243 1.084 1.00 63.41 N ATOM 334 CA LEU A 20 -0.914 -0.565 0.325 1.00 40.31 C ATOM 335 C LEU A 20 -2.230 0.192 0.254 1.00 62.34 C ATOM 336 O LEU A 20 -2.814 0.291 -0.810 1.00 63.52 O ATOM 337 CB LEU A 20 -1.109 -2.013 0.905 1.00 72.11 C ATOM 338 CG LEU A 20 -2.162 -2.289 2.069 1.00 33.01 C ATOM 339 CD1 LEU A 20 -3.619 -2.475 1.555 1.00 41.44 C ATOM 340 CD2 LEU A 20 -1.766 -3.518 2.907 1.00 11.22 C ATOM 0 H LEU A 20 0.378 -0.178 1.960 1.00 63.41 H new ATOM 0 HA LEU A 20 -0.520 -0.713 -0.681 1.00 40.31 H new ATOM 0 HB2 LEU A 20 -1.378 -2.659 0.070 1.00 72.11 H new ATOM 0 HB3 LEU A 20 -0.137 -2.347 1.267 1.00 72.11 H new ATOM 0 HG LEU A 20 -2.140 -1.393 2.690 1.00 33.01 H new ATOM 0 HD11 LEU A 20 -4.282 -2.659 2.400 1.00 41.44 H new ATOM 0 HD12 LEU A 20 -3.939 -1.573 1.033 1.00 41.44 H new ATOM 0 HD13 LEU A 20 -3.658 -3.323 0.871 1.00 41.44 H new ATOM 0 HD21 LEU A 20 -2.506 -3.677 3.692 1.00 11.22 H new ATOM 0 HD22 LEU A 20 -1.723 -4.398 2.265 1.00 11.22 H new ATOM 0 HD23 LEU A 20 -0.788 -3.351 3.359 1.00 11.22 H new ATOM 352 N HIS A 21 -2.657 0.748 1.408 1.00 53.10 N ATOM 353 CA HIS A 21 -3.948 1.434 1.545 1.00 42.55 C ATOM 354 C HIS A 21 -4.012 2.626 0.585 1.00 64.13 C ATOM 355 O HIS A 21 -5.009 2.818 -0.102 1.00 0.34 O ATOM 356 CB HIS A 21 -4.158 1.882 3.012 1.00 65.21 C ATOM 357 CG HIS A 21 -5.483 2.533 3.292 1.00 63.45 C ATOM 358 ND1 HIS A 21 -5.615 3.873 3.575 1.00 64.13 N ATOM 359 CD2 HIS A 21 -6.730 2.013 3.380 1.00 15.41 C ATOM 360 CE1 HIS A 21 -6.875 4.149 3.822 1.00 63.31 C ATOM 361 NE2 HIS A 21 -7.571 3.041 3.711 1.00 72.33 N ATOM 0 H HIS A 21 -2.111 0.731 2.269 1.00 53.10 H new ATOM 0 HA HIS A 21 -4.752 0.746 1.284 1.00 42.55 H new ATOM 0 HB2 HIS A 21 -4.053 1.012 3.661 1.00 65.21 H new ATOM 0 HB3 HIS A 21 -3.364 2.578 3.281 1.00 65.21 H new ATOM 0 HD2 HIS A 21 -7.009 0.982 3.219 1.00 15.41 H new ATOM 0 HE1 HIS A 21 -7.271 5.122 4.074 1.00 63.31 H new ATOM 0 HE2 HIS A 21 -8.578 2.959 3.849 1.00 72.33 H new ATOM 370 N ASP A 22 -2.901 3.376 0.513 1.00 51.44 N ATOM 371 CA ASP A 22 -2.780 4.560 -0.353 1.00 72.03 C ATOM 372 C ASP A 22 -2.736 4.162 -1.844 1.00 12.43 C ATOM 373 O ASP A 22 -3.316 4.856 -2.685 1.00 11.35 O ATOM 374 CB ASP A 22 -1.523 5.381 0.036 1.00 1.13 C ATOM 375 CG ASP A 22 -1.484 6.762 -0.648 1.00 23.23 C ATOM 376 OD1 ASP A 22 -2.216 7.672 -0.202 1.00 52.24 O ATOM 377 OD2 ASP A 22 -0.744 6.946 -1.636 1.00 12.14 O ATOM 0 H ASP A 22 -2.060 3.178 1.055 1.00 51.44 H new ATOM 0 HA ASP A 22 -3.663 5.182 -0.205 1.00 72.03 H new ATOM 0 HB2 ASP A 22 -1.501 5.514 1.118 1.00 1.13 H new ATOM 0 HB3 ASP A 22 -0.629 4.820 -0.235 1.00 1.13 H new ATOM 382 N THR A 23 -2.060 3.030 -2.155 1.00 31.10 N ATOM 383 CA THR A 23 -1.968 2.512 -3.535 1.00 63.30 C ATOM 384 C THR A 23 -3.318 1.906 -3.975 1.00 74.12 C ATOM 385 O THR A 23 -3.657 1.942 -5.150 1.00 24.12 O ATOM 386 CB THR A 23 -0.823 1.448 -3.706 1.00 61.32 C ATOM 387 OG1 THR A 23 0.397 1.931 -3.130 1.00 35.32 O ATOM 388 CG2 THR A 23 -0.552 1.111 -5.193 1.00 3.22 C ATOM 0 H THR A 23 -1.571 2.460 -1.465 1.00 31.10 H new ATOM 0 HA THR A 23 -1.722 3.360 -4.173 1.00 63.30 H new ATOM 0 HB THR A 23 -1.161 0.546 -3.196 1.00 61.32 H new ATOM 0 HG1 THR A 23 0.440 1.669 -2.187 1.00 35.32 H new ATOM 0 HG21 THR A 23 0.247 0.372 -5.259 1.00 3.22 H new ATOM 0 HG22 THR A 23 -1.458 0.708 -5.646 1.00 3.22 H new ATOM 0 HG23 THR A 23 -0.254 2.016 -5.723 1.00 3.22 H new ATOM 396 N ASN A 24 -4.091 1.376 -3.000 1.00 22.35 N ATOM 397 CA ASN A 24 -5.427 0.803 -3.252 1.00 41.12 C ATOM 398 C ASN A 24 -6.407 1.934 -3.577 1.00 63.22 C ATOM 399 O ASN A 24 -7.192 1.830 -4.515 1.00 4.25 O ATOM 400 CB ASN A 24 -5.949 -0.032 -2.039 1.00 72.35 C ATOM 401 CG ASN A 24 -5.325 -1.436 -1.874 1.00 32.21 C ATOM 402 OD1 ASN A 24 -4.054 -1.614 -2.208 1.00 15.15 O flip ATOM 403 ND2 ASN A 24 -5.990 -2.366 -1.420 1.00 5.23 N flip ATOM 0 H ASN A 24 -3.805 1.335 -2.022 1.00 22.35 H new ATOM 0 HA ASN A 24 -5.348 0.121 -4.098 1.00 41.12 H new ATOM 0 HB2 ASN A 24 -5.768 0.535 -1.126 1.00 72.35 H new ATOM 0 HB3 ASN A 24 -7.029 -0.144 -2.136 1.00 72.35 H new ATOM 0 HD21 ASN A 24 -6.967 -2.218 -1.166 1.00 5.23 H new ATOM 0 HD22 ASN A 24 -5.565 -3.285 -1.297 1.00 5.23 H new ATOM 410 N MET A 25 -6.332 3.029 -2.797 1.00 72.11 N ATOM 411 CA MET A 25 -7.173 4.208 -3.008 1.00 11.43 C ATOM 412 C MET A 25 -6.883 4.856 -4.362 1.00 12.33 C ATOM 413 O MET A 25 -7.806 5.065 -5.141 1.00 2.14 O ATOM 414 CB MET A 25 -6.981 5.219 -1.860 1.00 3.03 C ATOM 415 CG MET A 25 -7.395 4.707 -0.465 1.00 44.21 C ATOM 416 SD MET A 25 -9.182 4.731 -0.145 1.00 72.44 S ATOM 417 CE MET A 25 -9.783 3.229 -0.928 1.00 33.12 C ATOM 0 H MET A 25 -5.689 3.115 -2.010 1.00 72.11 H new ATOM 0 HA MET A 25 -8.215 3.887 -3.012 1.00 11.43 H new ATOM 0 HB2 MET A 25 -5.932 5.513 -1.826 1.00 3.03 H new ATOM 0 HB3 MET A 25 -7.556 6.117 -2.086 1.00 3.03 H new ATOM 0 HG2 MET A 25 -7.032 3.686 -0.346 1.00 44.21 H new ATOM 0 HG3 MET A 25 -6.896 5.313 0.292 1.00 44.21 H new ATOM 0 HE1 MET A 25 -10.202 3.471 -1.905 1.00 33.12 H new ATOM 0 HE2 MET A 25 -8.958 2.527 -1.051 1.00 33.12 H new ATOM 0 HE3 MET A 25 -10.554 2.777 -0.304 1.00 33.12 H new ATOM 427 N GLU A 26 -5.590 5.109 -4.665 1.00 5.12 N ATOM 428 CA GLU A 26 -5.202 5.775 -5.921 1.00 71.45 C ATOM 429 C GLU A 26 -5.473 4.873 -7.133 1.00 12.11 C ATOM 430 O GLU A 26 -5.659 5.381 -8.225 1.00 64.43 O ATOM 431 CB GLU A 26 -3.718 6.217 -5.917 1.00 22.42 C ATOM 432 CG GLU A 26 -2.697 5.079 -6.119 1.00 5.52 C ATOM 433 CD GLU A 26 -1.255 5.565 -6.284 1.00 21.13 C ATOM 434 OE1 GLU A 26 -0.362 5.089 -5.553 1.00 13.43 O ATOM 435 OE2 GLU A 26 -1.012 6.434 -7.149 1.00 1.31 O ATOM 0 H GLU A 26 -4.806 4.863 -4.060 1.00 5.12 H new ATOM 0 HA GLU A 26 -5.818 6.671 -5.999 1.00 71.45 H new ATOM 0 HB2 GLU A 26 -3.573 6.958 -6.703 1.00 22.42 H new ATOM 0 HB3 GLU A 26 -3.505 6.712 -4.970 1.00 22.42 H new ATOM 0 HG2 GLU A 26 -2.747 4.403 -5.266 1.00 5.52 H new ATOM 0 HG3 GLU A 26 -2.979 4.502 -7.000 1.00 5.52 H new ATOM 442 N LEU A 27 -5.454 3.534 -6.920 1.00 55.43 N ATOM 443 CA LEU A 27 -5.820 2.547 -7.946 1.00 41.55 C ATOM 444 C LEU A 27 -7.330 2.586 -8.220 1.00 33.43 C ATOM 445 O LEU A 27 -7.737 2.487 -9.367 1.00 1.03 O ATOM 446 CB LEU A 27 -5.397 1.124 -7.507 1.00 63.55 C ATOM 447 CG LEU A 27 -5.746 -0.035 -8.490 1.00 11.34 C ATOM 448 CD1 LEU A 27 -5.056 0.156 -9.857 1.00 45.42 C ATOM 449 CD2 LEU A 27 -5.413 -1.410 -7.876 1.00 61.51 C ATOM 0 H LEU A 27 -5.183 3.116 -6.030 1.00 55.43 H new ATOM 0 HA LEU A 27 -5.292 2.801 -8.865 1.00 41.55 H new ATOM 0 HB2 LEU A 27 -4.319 1.122 -7.345 1.00 63.55 H new ATOM 0 HB3 LEU A 27 -5.864 0.910 -6.546 1.00 63.55 H new ATOM 0 HG LEU A 27 -6.822 -0.005 -8.663 1.00 11.34 H new ATOM 0 HD11 LEU A 27 -5.321 -0.670 -10.517 1.00 45.42 H new ATOM 0 HD12 LEU A 27 -5.384 1.096 -10.302 1.00 45.42 H new ATOM 0 HD13 LEU A 27 -3.975 0.177 -9.719 1.00 45.42 H new ATOM 0 HD21 LEU A 27 -5.668 -2.197 -8.586 1.00 61.51 H new ATOM 0 HD22 LEU A 27 -4.348 -1.458 -7.648 1.00 61.51 H new ATOM 0 HD23 LEU A 27 -5.987 -1.548 -6.960 1.00 61.51 H new ATOM 461 N THR A 28 -8.146 2.723 -7.148 1.00 5.20 N ATOM 462 CA THR A 28 -9.617 2.831 -7.256 1.00 0.55 C ATOM 463 C THR A 28 -9.992 4.114 -8.017 1.00 34.01 C ATOM 464 O THR A 28 -10.844 4.094 -8.922 1.00 1.54 O ATOM 465 CB THR A 28 -10.299 2.803 -5.843 1.00 14.10 C ATOM 466 OG1 THR A 28 -9.960 1.579 -5.170 1.00 44.05 O ATOM 467 CG2 THR A 28 -11.836 2.916 -5.930 1.00 4.54 C ATOM 0 H THR A 28 -7.803 2.761 -6.188 1.00 5.20 H new ATOM 0 HA THR A 28 -9.984 1.968 -7.812 1.00 0.55 H new ATOM 0 HB THR A 28 -9.930 3.666 -5.289 1.00 14.10 H new ATOM 0 HG1 THR A 28 -9.014 1.597 -4.916 1.00 44.05 H new ATOM 0 HG21 THR A 28 -12.260 2.892 -4.926 1.00 4.54 H new ATOM 0 HG22 THR A 28 -12.105 3.854 -6.415 1.00 4.54 H new ATOM 0 HG23 THR A 28 -12.230 2.082 -6.510 1.00 4.54 H new ATOM 475 N ASP A 29 -9.304 5.213 -7.658 1.00 30.53 N ATOM 476 CA ASP A 29 -9.414 6.492 -8.357 1.00 31.32 C ATOM 477 C ASP A 29 -8.999 6.316 -9.821 1.00 4.32 C ATOM 478 O ASP A 29 -9.780 6.627 -10.712 1.00 64.21 O ATOM 479 CB ASP A 29 -8.538 7.593 -7.679 1.00 64.31 C ATOM 480 CG ASP A 29 -9.143 8.161 -6.380 1.00 62.22 C ATOM 481 OD1 ASP A 29 -9.937 9.124 -6.453 1.00 51.41 O ATOM 482 OD2 ASP A 29 -8.818 7.666 -5.281 1.00 61.11 O ATOM 0 H ASP A 29 -8.655 5.232 -6.871 1.00 30.53 H new ATOM 0 HA ASP A 29 -10.453 6.818 -8.307 1.00 31.32 H new ATOM 0 HB2 ASP A 29 -7.555 7.177 -7.459 1.00 64.31 H new ATOM 0 HB3 ASP A 29 -8.387 8.409 -8.385 1.00 64.31 H new ATOM 487 N LEU A 30 -7.797 5.730 -10.046 1.00 4.42 N ATOM 488 CA LEU A 30 -7.167 5.668 -11.378 1.00 41.43 C ATOM 489 C LEU A 30 -8.026 4.811 -12.308 1.00 43.24 C ATOM 490 O LEU A 30 -8.244 5.187 -13.434 1.00 13.13 O ATOM 491 CB LEU A 30 -5.696 5.123 -11.298 1.00 22.13 C ATOM 492 CG LEU A 30 -4.659 5.650 -12.367 1.00 13.42 C ATOM 493 CD1 LEU A 30 -5.018 5.262 -13.821 1.00 24.23 C ATOM 494 CD2 LEU A 30 -4.455 7.179 -12.244 1.00 31.01 C ATOM 0 H LEU A 30 -7.244 5.291 -9.310 1.00 4.42 H new ATOM 0 HA LEU A 30 -7.106 6.679 -11.782 1.00 41.43 H new ATOM 0 HB2 LEU A 30 -5.305 5.357 -10.308 1.00 22.13 H new ATOM 0 HB3 LEU A 30 -5.736 4.037 -11.377 1.00 22.13 H new ATOM 0 HG LEU A 30 -3.719 5.148 -12.139 1.00 13.42 H new ATOM 0 HD11 LEU A 30 -4.263 5.657 -14.500 1.00 24.23 H new ATOM 0 HD12 LEU A 30 -5.053 4.176 -13.910 1.00 24.23 H new ATOM 0 HD13 LEU A 30 -5.991 5.679 -14.079 1.00 24.23 H new ATOM 0 HD21 LEU A 30 -3.736 7.512 -12.993 1.00 31.01 H new ATOM 0 HD22 LEU A 30 -5.406 7.687 -12.403 1.00 31.01 H new ATOM 0 HD23 LEU A 30 -4.079 7.417 -11.249 1.00 31.01 H new ATOM 506 N LYS A 31 -8.550 3.688 -11.807 1.00 60.24 N ATOM 507 CA LYS A 31 -9.321 2.750 -12.635 1.00 71.41 C ATOM 508 C LYS A 31 -10.660 3.379 -13.037 1.00 72.41 C ATOM 509 O LYS A 31 -11.103 3.223 -14.178 1.00 61.14 O ATOM 510 CB LYS A 31 -9.452 1.348 -11.941 1.00 35.10 C ATOM 511 CG LYS A 31 -10.367 1.246 -10.687 1.00 32.15 C ATOM 512 CD LYS A 31 -11.848 0.931 -11.024 1.00 62.13 C ATOM 513 CE LYS A 31 -12.026 -0.440 -11.707 1.00 62.20 C ATOM 514 NZ LYS A 31 -13.401 -0.624 -12.241 1.00 70.04 N ATOM 0 H LYS A 31 -8.455 3.405 -10.832 1.00 60.24 H new ATOM 0 HA LYS A 31 -8.782 2.556 -13.562 1.00 71.41 H new ATOM 0 HB2 LYS A 31 -9.819 0.639 -12.683 1.00 35.10 H new ATOM 0 HB3 LYS A 31 -8.453 1.020 -11.655 1.00 35.10 H new ATOM 0 HG2 LYS A 31 -9.980 0.470 -10.027 1.00 32.15 H new ATOM 0 HG3 LYS A 31 -10.320 2.185 -10.136 1.00 32.15 H new ATOM 0 HD2 LYS A 31 -12.438 0.955 -10.107 1.00 62.13 H new ATOM 0 HD3 LYS A 31 -12.241 1.711 -11.676 1.00 62.13 H new ATOM 0 HE2 LYS A 31 -11.306 -0.536 -12.520 1.00 62.20 H new ATOM 0 HE3 LYS A 31 -11.806 -1.232 -10.991 1.00 62.20 H new ATOM 0 HZ1 LYS A 31 -13.467 -1.544 -12.721 1.00 70.04 H new ATOM 0 HZ2 LYS A 31 -14.085 -0.592 -11.458 1.00 70.04 H new ATOM 0 HZ3 LYS A 31 -13.615 0.136 -12.918 1.00 70.04 H new ATOM 528 N LEU A 32 -11.252 4.157 -12.097 1.00 72.20 N ATOM 529 CA LEU A 32 -12.529 4.842 -12.315 1.00 60.43 C ATOM 530 C LEU A 32 -12.386 5.935 -13.393 1.00 42.20 C ATOM 531 O LEU A 32 -13.089 5.904 -14.401 1.00 42.24 O ATOM 532 CB LEU A 32 -13.062 5.435 -10.981 1.00 12.35 C ATOM 533 CG LEU A 32 -14.476 6.104 -11.040 1.00 43.11 C ATOM 534 CD1 LEU A 32 -15.548 5.124 -11.565 1.00 54.10 C ATOM 535 CD2 LEU A 32 -14.879 6.682 -9.663 1.00 74.25 C ATOM 0 H LEU A 32 -10.851 4.320 -11.173 1.00 72.20 H new ATOM 0 HA LEU A 32 -13.255 4.113 -12.675 1.00 60.43 H new ATOM 0 HB2 LEU A 32 -13.091 4.638 -10.238 1.00 12.35 H new ATOM 0 HB3 LEU A 32 -12.346 6.176 -10.625 1.00 12.35 H new ATOM 0 HG LEU A 32 -14.414 6.931 -11.747 1.00 43.11 H new ATOM 0 HD11 LEU A 32 -16.516 5.624 -11.592 1.00 54.10 H new ATOM 0 HD12 LEU A 32 -15.281 4.797 -12.570 1.00 54.10 H new ATOM 0 HD13 LEU A 32 -15.605 4.259 -10.904 1.00 54.10 H new ATOM 0 HD21 LEU A 32 -15.865 7.140 -9.735 1.00 74.25 H new ATOM 0 HD22 LEU A 32 -14.904 5.880 -8.925 1.00 74.25 H new ATOM 0 HD23 LEU A 32 -14.151 7.434 -9.357 1.00 74.25 H new ATOM 547 N GLN A 33 -11.456 6.888 -13.195 1.00 42.21 N ATOM 548 CA GLN A 33 -11.251 7.992 -14.159 1.00 2.34 C ATOM 549 C GLN A 33 -10.718 7.470 -15.516 1.00 13.31 C ATOM 550 O GLN A 33 -11.125 7.975 -16.584 1.00 72.04 O ATOM 551 CB GLN A 33 -10.382 9.145 -13.541 1.00 44.04 C ATOM 552 CG GLN A 33 -9.106 8.736 -12.756 1.00 43.41 C ATOM 553 CD GLN A 33 -7.798 8.769 -13.535 1.00 40.03 C ATOM 554 OE1 GLN A 33 -7.118 9.773 -13.570 1.00 21.23 O ATOM 555 NE2 GLN A 33 -7.471 7.704 -14.224 1.00 31.20 N ATOM 0 H GLN A 33 -10.838 6.919 -12.384 1.00 42.21 H new ATOM 0 HA GLN A 33 -12.222 8.438 -14.375 1.00 2.34 H new ATOM 0 HB2 GLN A 33 -10.081 9.810 -14.350 1.00 44.04 H new ATOM 0 HB3 GLN A 33 -11.018 9.724 -12.872 1.00 44.04 H new ATOM 0 HG2 GLN A 33 -9.008 9.396 -11.894 1.00 43.41 H new ATOM 0 HG3 GLN A 33 -9.250 7.727 -12.370 1.00 43.41 H new ATOM 0 HE21 GLN A 33 -8.056 6.869 -14.181 1.00 31.20 H new ATOM 0 HE22 GLN A 33 -6.631 7.709 -14.803 1.00 31.20 H new ATOM 564 N LEU A 34 -9.884 6.406 -15.468 1.00 54.30 N ATOM 565 CA LEU A 34 -9.313 5.769 -16.676 1.00 13.54 C ATOM 566 C LEU A 34 -10.433 5.396 -17.639 1.00 33.30 C ATOM 567 O LEU A 34 -10.473 5.967 -18.742 1.00 53.51 O ATOM 568 CB LEU A 34 -8.438 4.533 -16.293 1.00 14.12 C ATOM 569 CG LEU A 34 -7.790 3.629 -17.421 1.00 3.41 C ATOM 570 CD1 LEU A 34 -8.625 2.361 -17.727 1.00 2.45 C ATOM 571 CD2 LEU A 34 -7.482 4.419 -18.712 1.00 43.44 C ATOM 0 H LEU A 34 -9.589 5.967 -14.596 1.00 54.30 H new ATOM 0 HA LEU A 34 -8.656 6.479 -17.179 1.00 13.54 H new ATOM 0 HB2 LEU A 34 -7.625 4.896 -15.665 1.00 14.12 H new ATOM 0 HB3 LEU A 34 -9.054 3.882 -15.673 1.00 14.12 H new ATOM 0 HG LEU A 34 -6.837 3.294 -17.012 1.00 3.41 H new ATOM 0 HD11 LEU A 34 -8.133 1.781 -18.507 1.00 2.45 H new ATOM 0 HD12 LEU A 34 -8.712 1.756 -16.825 1.00 2.45 H new ATOM 0 HD13 LEU A 34 -9.619 2.653 -18.065 1.00 2.45 H new ATOM 0 HD21 LEU A 34 -7.039 3.751 -19.451 1.00 43.44 H new ATOM 0 HD22 LEU A 34 -8.405 4.840 -19.110 1.00 43.44 H new ATOM 0 HD23 LEU A 34 -6.783 5.225 -18.487 1.00 43.44 H new ATOM 583 N GLU A 35 -11.346 4.510 -17.154 1.00 33.43 N ATOM 584 CA GLU A 35 -12.477 3.946 -17.927 1.00 75.23 C ATOM 585 C GLU A 35 -13.485 5.035 -18.358 1.00 54.01 C ATOM 586 O GLU A 35 -14.146 4.899 -19.387 1.00 33.42 O ATOM 587 CB GLU A 35 -13.190 2.822 -17.104 1.00 63.03 C ATOM 588 CG GLU A 35 -13.925 3.311 -15.834 1.00 74.11 C ATOM 589 CD GLU A 35 -14.449 2.188 -14.922 1.00 65.23 C ATOM 590 OE1 GLU A 35 -13.670 1.653 -14.105 1.00 23.02 O ATOM 591 OE2 GLU A 35 -15.648 1.838 -15.011 1.00 34.21 O ATOM 0 H GLU A 35 -11.311 4.164 -16.195 1.00 33.43 H new ATOM 0 HA GLU A 35 -12.068 3.510 -18.839 1.00 75.23 H new ATOM 0 HB2 GLU A 35 -13.909 2.319 -17.751 1.00 63.03 H new ATOM 0 HB3 GLU A 35 -12.448 2.079 -16.813 1.00 63.03 H new ATOM 0 HG2 GLU A 35 -13.247 3.941 -15.258 1.00 74.11 H new ATOM 0 HG3 GLU A 35 -14.765 3.938 -16.135 1.00 74.11 H new ATOM 598 N LYS A 36 -13.577 6.130 -17.566 1.00 2.22 N ATOM 599 CA LYS A 36 -14.337 7.350 -17.946 1.00 31.15 C ATOM 600 C LYS A 36 -13.657 8.081 -19.131 1.00 64.22 C ATOM 601 O LYS A 36 -14.218 9.019 -19.691 1.00 54.24 O ATOM 602 CB LYS A 36 -14.440 8.299 -16.727 1.00 41.12 C ATOM 603 CG LYS A 36 -15.272 7.742 -15.551 1.00 24.32 C ATOM 604 CD LYS A 36 -15.134 8.576 -14.254 1.00 65.54 C ATOM 605 CE LYS A 36 -15.568 10.039 -14.417 1.00 50.44 C ATOM 606 NZ LYS A 36 -15.471 10.780 -13.131 1.00 71.23 N ATOM 0 H LYS A 36 -13.130 6.195 -16.651 1.00 2.22 H new ATOM 0 HA LYS A 36 -15.337 7.051 -18.261 1.00 31.15 H new ATOM 0 HB2 LYS A 36 -13.435 8.523 -16.371 1.00 41.12 H new ATOM 0 HB3 LYS A 36 -14.880 9.242 -17.052 1.00 41.12 H new ATOM 0 HG2 LYS A 36 -16.322 7.707 -15.842 1.00 24.32 H new ATOM 0 HG3 LYS A 36 -14.963 6.716 -15.350 1.00 24.32 H new ATOM 0 HD2 LYS A 36 -15.732 8.113 -13.469 1.00 65.54 H new ATOM 0 HD3 LYS A 36 -14.096 8.548 -13.922 1.00 65.54 H new ATOM 0 HE2 LYS A 36 -14.943 10.524 -15.166 1.00 50.44 H new ATOM 0 HE3 LYS A 36 -16.594 10.077 -14.784 1.00 50.44 H new ATOM 0 HZ1 LYS A 36 -15.771 11.765 -13.275 1.00 71.23 H new ATOM 0 HZ2 LYS A 36 -16.087 10.330 -12.424 1.00 71.23 H new ATOM 0 HZ3 LYS A 36 -14.487 10.763 -12.794 1.00 71.23 H new ATOM 620 N ALA A 37 -12.418 7.660 -19.419 1.00 74.04 N ATOM 621 CA ALA A 37 -11.616 8.040 -20.615 1.00 30.12 C ATOM 622 C ALA A 37 -10.971 9.382 -20.348 1.00 74.23 C ATOM 623 O ALA A 37 -11.083 10.338 -21.128 1.00 51.15 O ATOM 624 CB ALA A 37 -12.414 7.987 -21.939 1.00 33.12 C ATOM 0 H ALA A 37 -11.916 7.018 -18.806 1.00 74.04 H new ATOM 0 HA ALA A 37 -10.834 7.296 -20.769 1.00 30.12 H new ATOM 0 HB1 ALA A 37 -11.766 8.276 -22.766 1.00 33.12 H new ATOM 0 HB2 ALA A 37 -12.781 6.974 -22.102 1.00 33.12 H new ATOM 0 HB3 ALA A 37 -13.258 8.674 -21.883 1.00 33.12 H new ATOM 630 N THR A 38 -10.278 9.425 -19.201 1.00 23.01 N ATOM 631 CA THR A 38 -9.787 10.705 -18.625 1.00 20.22 C ATOM 632 C THR A 38 -8.505 11.217 -19.314 1.00 63.15 C ATOM 633 O THR A 38 -8.047 10.664 -20.313 1.00 24.14 O ATOM 634 CB THR A 38 -9.539 10.572 -17.087 1.00 4.42 C ATOM 635 OG1 THR A 38 -9.421 11.866 -16.470 1.00 75.23 O ATOM 636 CG2 THR A 38 -8.274 9.757 -16.794 1.00 75.13 C ATOM 0 H THR A 38 -10.041 8.600 -18.650 1.00 23.01 H new ATOM 0 HA THR A 38 -10.574 11.438 -18.804 1.00 20.22 H new ATOM 0 HB THR A 38 -10.400 10.051 -16.669 1.00 4.42 H new ATOM 0 HG1 THR A 38 -8.678 11.857 -15.831 1.00 75.23 H new ATOM 0 HG21 THR A 38 -8.130 9.683 -15.716 1.00 75.13 H new ATOM 0 HG22 THR A 38 -8.380 8.757 -17.215 1.00 75.13 H new ATOM 0 HG23 THR A 38 -7.411 10.250 -17.242 1.00 75.13 H new ATOM 644 N GLN A 39 -7.963 12.307 -18.755 1.00 44.51 N ATOM 645 CA GLN A 39 -6.658 12.855 -19.104 1.00 1.54 C ATOM 646 C GLN A 39 -5.809 13.020 -17.833 1.00 13.32 C ATOM 647 O GLN A 39 -4.619 12.688 -17.824 1.00 43.00 O ATOM 648 CB GLN A 39 -6.805 14.207 -19.867 1.00 51.53 C ATOM 649 CG GLN A 39 -7.714 15.260 -19.196 1.00 24.11 C ATOM 650 CD GLN A 39 -9.212 15.009 -19.409 1.00 34.24 C ATOM 651 OE1 GLN A 39 -9.637 14.468 -20.432 1.00 44.30 O ATOM 652 NE2 GLN A 39 -10.018 15.388 -18.445 1.00 41.14 N ATOM 0 H GLN A 39 -8.438 12.842 -18.028 1.00 44.51 H new ATOM 0 HA GLN A 39 -6.151 12.160 -19.774 1.00 1.54 H new ATOM 0 HB2 GLN A 39 -5.813 14.640 -19.996 1.00 51.53 H new ATOM 0 HB3 GLN A 39 -7.195 14.000 -20.864 1.00 51.53 H new ATOM 0 HG2 GLN A 39 -7.506 15.277 -18.126 1.00 24.11 H new ATOM 0 HG3 GLN A 39 -7.461 16.246 -19.586 1.00 24.11 H new ATOM 0 HE21 GLN A 39 -9.639 15.833 -17.609 1.00 41.14 H new ATOM 0 HE22 GLN A 39 -11.023 15.237 -18.532 1.00 41.14 H new ATOM 661 N ARG A 40 -6.444 13.502 -16.749 1.00 44.21 N ATOM 662 CA ARG A 40 -5.756 13.837 -15.487 1.00 30.03 C ATOM 663 C ARG A 40 -6.444 13.140 -14.299 1.00 41.21 C ATOM 664 O ARG A 40 -7.398 12.378 -14.464 1.00 30.42 O ATOM 665 CB ARG A 40 -5.759 15.385 -15.264 1.00 33.30 C ATOM 666 CG ARG A 40 -7.140 15.946 -14.861 1.00 22.11 C ATOM 667 CD ARG A 40 -7.152 17.437 -14.507 1.00 74.23 C ATOM 668 NE ARG A 40 -8.477 17.840 -13.987 1.00 43.34 N ATOM 669 CZ ARG A 40 -8.718 18.885 -13.182 1.00 2.41 C ATOM 670 NH1 ARG A 40 -7.730 19.681 -12.778 1.00 52.41 N ATOM 671 NH2 ARG A 40 -9.961 19.122 -12.777 1.00 53.42 N ATOM 0 H ARG A 40 -7.450 13.671 -16.723 1.00 44.21 H new ATOM 0 HA ARG A 40 -4.726 13.488 -15.554 1.00 30.03 H new ATOM 0 HB2 ARG A 40 -5.034 15.634 -14.489 1.00 33.30 H new ATOM 0 HB3 ARG A 40 -5.429 15.877 -16.179 1.00 33.30 H new ATOM 0 HG2 ARG A 40 -7.838 15.776 -15.681 1.00 22.11 H new ATOM 0 HG3 ARG A 40 -7.510 15.381 -14.005 1.00 22.11 H new ATOM 0 HD2 ARG A 40 -6.385 17.645 -13.761 1.00 74.23 H new ATOM 0 HD3 ARG A 40 -6.907 18.028 -15.390 1.00 74.23 H new ATOM 0 HE ARG A 40 -9.278 17.273 -14.265 1.00 43.34 H new ATOM 0 HH11 ARG A 40 -6.773 19.500 -13.081 1.00 52.41 H new ATOM 0 HH12 ARG A 40 -7.930 20.472 -12.166 1.00 52.41 H new ATOM 0 HH21 ARG A 40 -10.721 18.512 -13.078 1.00 53.42 H new ATOM 0 HH22 ARG A 40 -10.156 19.914 -12.165 1.00 53.42 H new ATOM 685 N GLN A 41 -5.932 13.443 -13.104 1.00 35.23 N ATOM 686 CA GLN A 41 -6.475 12.991 -11.814 1.00 70.24 C ATOM 687 C GLN A 41 -6.239 14.100 -10.777 1.00 20.33 C ATOM 688 O GLN A 41 -5.698 15.167 -11.104 1.00 45.11 O ATOM 689 CB GLN A 41 -5.817 11.649 -11.348 1.00 43.11 C ATOM 690 CG GLN A 41 -4.257 11.608 -11.427 1.00 72.44 C ATOM 691 CD GLN A 41 -3.668 10.871 -12.645 1.00 23.35 C ATOM 692 OE1 GLN A 41 -2.559 10.364 -12.574 1.00 21.44 O ATOM 693 NE2 GLN A 41 -4.411 10.743 -13.740 1.00 62.11 N ATOM 0 H GLN A 41 -5.103 14.028 -13.001 1.00 35.23 H new ATOM 0 HA GLN A 41 -7.542 12.797 -11.922 1.00 70.24 H new ATOM 0 HB2 GLN A 41 -6.118 11.454 -10.318 1.00 43.11 H new ATOM 0 HB3 GLN A 41 -6.217 10.837 -11.956 1.00 43.11 H new ATOM 0 HG2 GLN A 41 -3.885 12.633 -11.431 1.00 72.44 H new ATOM 0 HG3 GLN A 41 -3.878 11.135 -10.521 1.00 72.44 H new ATOM 0 HE21 GLN A 41 -5.335 11.173 -13.782 1.00 62.11 H new ATOM 0 HE22 GLN A 41 -4.057 10.215 -14.538 1.00 62.11 H new ATOM 702 N GLU A 42 -6.654 13.854 -9.531 1.00 11.35 N ATOM 703 CA GLU A 42 -6.369 14.746 -8.401 1.00 20.23 C ATOM 704 C GLU A 42 -5.418 14.023 -7.447 1.00 40.11 C ATOM 705 O GLU A 42 -5.810 13.500 -6.401 1.00 11.24 O ATOM 706 CB GLU A 42 -7.682 15.239 -7.728 1.00 13.24 C ATOM 707 CG GLU A 42 -8.727 14.149 -7.415 1.00 54.12 C ATOM 708 CD GLU A 42 -10.033 14.745 -6.872 1.00 43.21 C ATOM 709 OE1 GLU A 42 -10.980 14.957 -7.667 1.00 4.40 O ATOM 710 OE2 GLU A 42 -10.106 15.034 -5.657 1.00 32.04 O ATOM 0 H GLU A 42 -7.198 13.030 -9.276 1.00 11.35 H new ATOM 0 HA GLU A 42 -5.874 15.655 -8.742 1.00 20.23 H new ATOM 0 HB2 GLU A 42 -7.423 15.745 -6.798 1.00 13.24 H new ATOM 0 HB3 GLU A 42 -8.144 15.982 -8.378 1.00 13.24 H new ATOM 0 HG2 GLU A 42 -8.937 13.578 -8.319 1.00 54.12 H new ATOM 0 HG3 GLU A 42 -8.316 13.451 -6.686 1.00 54.12 H new ATOM 717 N ARG A 43 -4.146 13.951 -7.876 1.00 63.14 N ATOM 718 CA ARG A 43 -3.103 13.205 -7.167 1.00 43.52 C ATOM 719 C ARG A 43 -1.835 14.068 -7.055 1.00 13.41 C ATOM 720 O ARG A 43 -1.288 14.244 -5.962 1.00 41.23 O ATOM 721 CB ARG A 43 -2.820 11.860 -7.915 1.00 61.45 C ATOM 722 CG ARG A 43 -2.520 10.656 -6.988 1.00 61.34 C ATOM 723 CD ARG A 43 -3.783 9.909 -6.496 1.00 11.44 C ATOM 724 NE ARG A 43 -4.760 10.769 -5.797 1.00 42.34 N ATOM 725 CZ ARG A 43 -5.906 10.344 -5.239 1.00 14.44 C ATOM 726 NH1 ARG A 43 -6.247 9.056 -5.261 1.00 15.43 N ATOM 727 NH2 ARG A 43 -6.732 11.231 -4.704 1.00 2.51 N ATOM 0 H ARG A 43 -3.816 14.410 -8.725 1.00 63.14 H new ATOM 0 HA ARG A 43 -3.436 12.966 -6.157 1.00 43.52 H new ATOM 0 HB2 ARG A 43 -3.682 11.617 -8.536 1.00 61.45 H new ATOM 0 HB3 ARG A 43 -1.974 12.004 -8.586 1.00 61.45 H new ATOM 0 HG2 ARG A 43 -1.879 9.953 -7.519 1.00 61.34 H new ATOM 0 HG3 ARG A 43 -1.959 11.008 -6.123 1.00 61.34 H new ATOM 0 HD2 ARG A 43 -4.272 9.443 -7.351 1.00 11.44 H new ATOM 0 HD3 ARG A 43 -3.478 9.105 -5.826 1.00 11.44 H new ATOM 0 HE ARG A 43 -4.548 11.765 -5.733 1.00 42.34 H new ATOM 0 HH11 ARG A 43 -5.634 8.374 -5.707 1.00 15.43 H new ATOM 0 HH12 ARG A 43 -7.121 8.752 -4.832 1.00 15.43 H new ATOM 0 HH21 ARG A 43 -6.495 12.223 -4.719 1.00 2.51 H new ATOM 0 HH22 ARG A 43 -7.605 10.922 -4.277 1.00 2.51 H new ATOM 741 N PHE A 44 -1.382 14.606 -8.203 1.00 74.54 N ATOM 742 CA PHE A 44 -0.225 15.520 -8.269 1.00 55.42 C ATOM 743 C PHE A 44 -0.315 16.385 -9.534 1.00 31.41 C ATOM 744 O PHE A 44 -0.864 15.961 -10.557 1.00 25.21 O ATOM 745 CB PHE A 44 1.106 14.721 -8.241 1.00 3.44 C ATOM 746 CG PHE A 44 2.357 15.585 -8.024 1.00 75.13 C ATOM 747 CD1 PHE A 44 3.150 16.005 -9.100 1.00 71.12 C ATOM 748 CD2 PHE A 44 2.732 15.984 -6.739 1.00 32.23 C ATOM 749 CE1 PHE A 44 4.271 16.789 -8.895 1.00 70.23 C ATOM 750 CE2 PHE A 44 3.856 16.769 -6.537 1.00 53.02 C ATOM 751 CZ PHE A 44 4.623 17.170 -7.614 1.00 64.21 C ATOM 0 H PHE A 44 -1.807 14.420 -9.111 1.00 74.54 H new ATOM 0 HA PHE A 44 -0.242 16.173 -7.397 1.00 55.42 H new ATOM 0 HB2 PHE A 44 1.052 13.975 -7.448 1.00 3.44 H new ATOM 0 HB3 PHE A 44 1.211 14.180 -9.181 1.00 3.44 H new ATOM 0 HD1 PHE A 44 2.882 15.712 -10.104 1.00 71.12 H new ATOM 0 HD2 PHE A 44 2.138 15.676 -5.891 1.00 32.23 H new ATOM 0 HE1 PHE A 44 4.871 17.103 -9.736 1.00 70.23 H new ATOM 0 HE2 PHE A 44 4.133 17.068 -5.537 1.00 53.02 H new ATOM 0 HZ PHE A 44 5.499 17.782 -7.455 1.00 64.21 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 8.782 -18.944 22.940 1.00 21.11 N ATOM 763 CA ASP B 101 7.412 -18.433 22.852 1.00 14.43 C ATOM 764 C ASP B 101 7.297 -17.467 21.667 1.00 14.51 C ATOM 765 O ASP B 101 6.348 -17.504 20.901 1.00 3.15 O ATOM 766 CB ASP B 101 7.001 -17.704 24.165 1.00 75.53 C ATOM 767 CG ASP B 101 7.219 -18.545 25.437 1.00 34.13 C ATOM 768 OD1 ASP B 101 8.300 -18.425 26.059 1.00 45.44 O ATOM 769 OD2 ASP B 101 6.324 -19.334 25.818 1.00 71.33 O ATOM 0 HA ASP B 101 6.740 -19.278 22.705 1.00 14.43 H new ATOM 0 HB2 ASP B 101 7.571 -16.779 24.250 1.00 75.53 H new ATOM 0 HB3 ASP B 101 5.949 -17.425 24.101 1.00 75.53 H new ATOM 774 N PHE B 102 8.328 -16.641 21.518 1.00 62.15 N ATOM 775 CA PHE B 102 8.344 -15.484 20.609 1.00 24.40 C ATOM 776 C PHE B 102 8.658 -15.874 19.158 1.00 63.52 C ATOM 777 O PHE B 102 8.550 -15.041 18.246 1.00 5.11 O ATOM 778 CB PHE B 102 9.383 -14.483 21.139 1.00 70.04 C ATOM 779 CG PHE B 102 9.158 -14.101 22.605 1.00 75.40 C ATOM 780 CD1 PHE B 102 8.237 -13.116 22.949 1.00 34.34 C ATOM 781 CD2 PHE B 102 9.866 -14.729 23.638 1.00 35.44 C ATOM 782 CE1 PHE B 102 8.018 -12.778 24.267 1.00 45.22 C ATOM 783 CE2 PHE B 102 9.644 -14.385 24.962 1.00 71.33 C ATOM 784 CZ PHE B 102 8.721 -13.408 25.275 1.00 31.03 C ATOM 0 H PHE B 102 9.200 -16.754 22.035 1.00 62.15 H new ATOM 0 HA PHE B 102 7.349 -15.039 20.589 1.00 24.40 H new ATOM 0 HB2 PHE B 102 10.379 -14.911 21.030 1.00 70.04 H new ATOM 0 HB3 PHE B 102 9.355 -13.582 20.527 1.00 70.04 H new ATOM 0 HD1 PHE B 102 7.685 -12.609 22.171 1.00 34.34 H new ATOM 0 HD2 PHE B 102 10.594 -15.491 23.400 1.00 35.44 H new ATOM 0 HE1 PHE B 102 7.293 -12.016 24.513 1.00 45.22 H new ATOM 0 HE2 PHE B 102 10.193 -14.881 25.748 1.00 71.33 H new ATOM 0 HZ PHE B 102 8.549 -13.137 26.306 1.00 31.03 H new ATOM 794 N LYS B 103 9.047 -17.141 18.949 1.00 53.01 N ATOM 795 CA LYS B 103 9.300 -17.674 17.606 1.00 32.20 C ATOM 796 C LYS B 103 8.028 -17.543 16.744 1.00 3.24 C ATOM 797 O LYS B 103 8.115 -17.223 15.557 1.00 4.02 O ATOM 798 CB LYS B 103 9.796 -19.153 17.649 1.00 25.21 C ATOM 799 CG LYS B 103 8.723 -20.245 17.905 1.00 53.41 C ATOM 800 CD LYS B 103 8.137 -20.289 19.341 1.00 61.03 C ATOM 801 CE LYS B 103 9.065 -20.986 20.360 1.00 30.31 C ATOM 802 NZ LYS B 103 10.300 -20.209 20.681 1.00 73.12 N ATOM 0 H LYS B 103 9.193 -17.817 19.699 1.00 53.01 H new ATOM 0 HA LYS B 103 10.099 -17.087 17.154 1.00 32.20 H new ATOM 0 HB2 LYS B 103 10.286 -19.374 16.701 1.00 25.21 H new ATOM 0 HB3 LYS B 103 10.555 -19.234 18.427 1.00 25.21 H new ATOM 0 HG2 LYS B 103 7.903 -20.095 17.202 1.00 53.41 H new ATOM 0 HG3 LYS B 103 9.161 -21.218 17.681 1.00 53.41 H new ATOM 0 HD2 LYS B 103 7.940 -19.271 19.677 1.00 61.03 H new ATOM 0 HD3 LYS B 103 7.179 -20.808 19.319 1.00 61.03 H new ATOM 0 HE2 LYS B 103 8.509 -21.164 21.281 1.00 30.31 H new ATOM 0 HE3 LYS B 103 9.352 -21.961 19.968 1.00 30.31 H new ATOM 0 HZ1 LYS B 103 10.609 -20.432 21.649 1.00 73.12 H new ATOM 0 HZ2 LYS B 103 11.053 -20.462 20.010 1.00 73.12 H new ATOM 0 HZ3 LYS B 103 10.099 -19.191 20.608 1.00 73.12 H new ATOM 816 N LYS B 104 6.847 -17.747 17.388 1.00 0.13 N ATOM 817 CA LYS B 104 5.554 -17.641 16.719 1.00 42.05 C ATOM 818 C LYS B 104 5.260 -16.190 16.329 1.00 42.23 C ATOM 819 O LYS B 104 4.641 -15.978 15.307 1.00 2.15 O ATOM 820 CB LYS B 104 4.411 -18.251 17.590 1.00 55.20 C ATOM 821 CG LYS B 104 4.055 -17.494 18.904 1.00 44.31 C ATOM 822 CD LYS B 104 3.007 -16.350 18.761 1.00 13.14 C ATOM 823 CE LYS B 104 1.672 -16.799 18.137 1.00 20.40 C ATOM 824 NZ LYS B 104 0.894 -17.709 19.016 1.00 4.41 N ATOM 0 H LYS B 104 6.782 -17.987 18.377 1.00 0.13 H new ATOM 0 HA LYS B 104 5.600 -18.225 15.800 1.00 42.05 H new ATOM 0 HB2 LYS B 104 3.511 -18.312 16.977 1.00 55.20 H new ATOM 0 HB3 LYS B 104 4.689 -19.272 17.850 1.00 55.20 H new ATOM 0 HG2 LYS B 104 3.680 -18.217 19.628 1.00 44.31 H new ATOM 0 HG3 LYS B 104 4.971 -17.073 19.319 1.00 44.31 H new ATOM 0 HD2 LYS B 104 2.812 -15.925 19.745 1.00 13.14 H new ATOM 0 HD3 LYS B 104 3.433 -15.555 18.149 1.00 13.14 H new ATOM 0 HE2 LYS B 104 1.070 -15.919 17.911 1.00 20.40 H new ATOM 0 HE3 LYS B 104 1.871 -17.301 17.190 1.00 20.40 H new ATOM 0 HZ1 LYS B 104 0.008 -17.976 18.542 1.00 4.41 H new ATOM 0 HZ2 LYS B 104 1.453 -18.564 19.212 1.00 4.41 H new ATOM 0 HZ3 LYS B 104 0.676 -17.225 19.910 1.00 4.41 H new ATOM 838 N LEU B 105 5.686 -15.185 17.156 1.00 1.44 N ATOM 839 CA LEU B 105 5.415 -13.761 16.843 1.00 10.42 C ATOM 840 C LEU B 105 6.131 -13.409 15.541 1.00 2.15 C ATOM 841 O LEU B 105 5.587 -12.674 14.698 1.00 75.05 O ATOM 842 CB LEU B 105 5.772 -12.783 18.043 1.00 74.44 C ATOM 843 CG LEU B 105 7.231 -12.164 18.165 1.00 54.55 C ATOM 844 CD1 LEU B 105 7.505 -11.023 17.156 1.00 64.45 C ATOM 845 CD2 LEU B 105 7.516 -11.656 19.592 1.00 3.03 C ATOM 0 H LEU B 105 6.205 -15.337 18.021 1.00 1.44 H new ATOM 0 HA LEU B 105 4.343 -13.621 16.704 1.00 10.42 H new ATOM 0 HB2 LEU B 105 5.070 -11.950 18.000 1.00 74.44 H new ATOM 0 HB3 LEU B 105 5.571 -13.322 18.969 1.00 74.44 H new ATOM 0 HG LEU B 105 7.906 -12.986 17.926 1.00 54.55 H new ATOM 0 HD11 LEU B 105 8.519 -10.648 17.297 1.00 64.45 H new ATOM 0 HD12 LEU B 105 7.396 -11.402 16.140 1.00 64.45 H new ATOM 0 HD13 LEU B 105 6.793 -10.214 17.320 1.00 64.45 H new ATOM 0 HD21 LEU B 105 8.523 -11.240 19.636 1.00 3.03 H new ATOM 0 HD22 LEU B 105 6.793 -10.884 19.855 1.00 3.03 H new ATOM 0 HD23 LEU B 105 7.435 -12.484 20.296 1.00 3.03 H new ATOM 857 N TYR B 106 7.369 -13.949 15.395 1.00 44.42 N ATOM 858 CA TYR B 106 8.154 -13.778 14.170 1.00 14.10 C ATOM 859 C TYR B 106 7.398 -14.409 12.996 1.00 5.04 C ATOM 860 O TYR B 106 7.296 -13.810 11.940 1.00 34.12 O ATOM 861 CB TYR B 106 9.596 -14.363 14.293 1.00 51.40 C ATOM 862 CG TYR B 106 10.533 -13.849 13.178 1.00 61.14 C ATOM 863 CD1 TYR B 106 10.869 -14.623 12.062 1.00 43.24 C ATOM 864 CD2 TYR B 106 11.036 -12.550 13.232 1.00 23.10 C ATOM 865 CE1 TYR B 106 11.668 -14.112 11.053 1.00 33.24 C ATOM 866 CE2 TYR B 106 11.831 -12.032 12.232 1.00 71.11 C ATOM 867 CZ TYR B 106 12.146 -12.817 11.144 1.00 73.44 C ATOM 868 OH TYR B 106 12.937 -12.311 10.135 1.00 12.25 O ATOM 0 H TYR B 106 7.833 -14.503 16.115 1.00 44.42 H new ATOM 0 HA TYR B 106 8.279 -12.710 13.994 1.00 14.10 H new ATOM 0 HB2 TYR B 106 10.012 -14.098 15.265 1.00 51.40 H new ATOM 0 HB3 TYR B 106 9.549 -15.451 14.252 1.00 51.40 H new ATOM 0 HD1 TYR B 106 10.499 -15.635 11.986 1.00 43.24 H new ATOM 0 HD2 TYR B 106 10.795 -11.930 14.083 1.00 23.10 H new ATOM 0 HE1 TYR B 106 11.917 -14.723 10.198 1.00 33.24 H new ATOM 0 HE2 TYR B 106 12.203 -11.021 12.301 1.00 71.11 H new ATOM 0 HH TYR B 106 13.190 -11.389 10.349 1.00 12.25 H new ATOM 878 N GLU B 107 6.823 -15.601 13.226 1.00 74.12 N ATOM 879 CA GLU B 107 6.064 -16.333 12.208 1.00 10.24 C ATOM 880 C GLU B 107 4.814 -15.550 11.769 1.00 45.23 C ATOM 881 O GLU B 107 4.583 -15.429 10.584 1.00 13.31 O ATOM 882 CB GLU B 107 5.672 -17.738 12.740 1.00 20.01 C ATOM 883 CG GLU B 107 6.857 -18.689 13.006 1.00 41.52 C ATOM 884 CD GLU B 107 7.643 -19.067 11.738 1.00 3.13 C ATOM 885 OE1 GLU B 107 8.598 -18.348 11.364 1.00 40.51 O ATOM 886 OE2 GLU B 107 7.312 -20.094 11.110 1.00 42.33 O ATOM 0 H GLU B 107 6.873 -16.081 14.124 1.00 74.12 H new ATOM 0 HA GLU B 107 6.701 -16.453 11.332 1.00 10.24 H new ATOM 0 HB2 GLU B 107 5.109 -17.615 13.665 1.00 20.01 H new ATOM 0 HB3 GLU B 107 5.003 -18.209 12.020 1.00 20.01 H new ATOM 0 HG2 GLU B 107 7.536 -18.219 13.717 1.00 41.52 H new ATOM 0 HG3 GLU B 107 6.483 -19.599 13.476 1.00 41.52 H new ATOM 893 N GLN B 108 4.050 -14.991 12.731 1.00 25.20 N ATOM 894 CA GLN B 108 2.740 -14.355 12.440 1.00 51.14 C ATOM 895 C GLN B 108 2.916 -13.083 11.605 1.00 43.30 C ATOM 896 O GLN B 108 2.353 -12.965 10.506 1.00 21.22 O ATOM 897 CB GLN B 108 1.948 -13.996 13.740 1.00 21.32 C ATOM 898 CG GLN B 108 1.724 -15.147 14.744 1.00 61.54 C ATOM 899 CD GLN B 108 1.363 -16.485 14.096 1.00 41.11 C ATOM 900 OE1 GLN B 108 0.198 -16.794 13.860 1.00 53.22 O ATOM 901 NE2 GLN B 108 2.377 -17.281 13.788 1.00 21.42 N ATOM 0 H GLN B 108 4.314 -14.965 13.716 1.00 25.20 H new ATOM 0 HA GLN B 108 2.167 -15.092 11.877 1.00 51.14 H new ATOM 0 HB2 GLN B 108 2.478 -13.193 14.253 1.00 21.32 H new ATOM 0 HB3 GLN B 108 0.974 -13.601 13.450 1.00 21.32 H new ATOM 0 HG2 GLN B 108 2.629 -15.277 15.338 1.00 61.54 H new ATOM 0 HG3 GLN B 108 0.928 -14.863 15.433 1.00 61.54 H new ATOM 0 HE21 GLN B 108 3.333 -16.994 13.998 1.00 21.42 H new ATOM 0 HE22 GLN B 108 2.201 -18.181 13.341 1.00 21.42 H new ATOM 910 N ILE B 109 3.708 -12.137 12.148 1.00 23.33 N ATOM 911 CA ILE B 109 3.851 -10.800 11.564 1.00 12.45 C ATOM 912 C ILE B 109 4.665 -10.853 10.250 1.00 73.34 C ATOM 913 O ILE B 109 4.355 -10.121 9.322 1.00 12.42 O ATOM 914 CB ILE B 109 4.535 -9.780 12.548 1.00 63.11 C ATOM 915 CG1 ILE B 109 3.987 -9.886 14.004 1.00 44.04 C ATOM 916 CG2 ILE B 109 4.364 -8.332 12.024 1.00 13.34 C ATOM 917 CD1 ILE B 109 4.741 -9.010 14.991 1.00 23.12 C ATOM 0 H ILE B 109 4.259 -12.281 12.994 1.00 23.33 H new ATOM 0 HA ILE B 109 2.839 -10.451 11.360 1.00 12.45 H new ATOM 0 HB ILE B 109 5.593 -10.038 12.583 1.00 63.11 H new ATOM 0 HG12 ILE B 109 2.934 -9.606 14.010 1.00 44.04 H new ATOM 0 HG13 ILE B 109 4.043 -10.924 14.332 1.00 44.04 H new ATOM 0 HG21 ILE B 109 4.842 -7.637 12.714 1.00 13.34 H new ATOM 0 HG22 ILE B 109 4.827 -8.244 11.041 1.00 13.34 H new ATOM 0 HG23 ILE B 109 3.303 -8.096 11.948 1.00 13.34 H new ATOM 0 HD11 ILE B 109 4.311 -9.129 15.986 1.00 23.12 H new ATOM 0 HD12 ILE B 109 5.790 -9.305 15.011 1.00 23.12 H new ATOM 0 HD13 ILE B 109 4.663 -7.967 14.685 1.00 23.12 H new ATOM 929 N LEU B 110 5.717 -11.713 10.201 1.00 5.54 N ATOM 930 CA LEU B 110 6.601 -11.849 9.006 1.00 54.41 C ATOM 931 C LEU B 110 5.873 -12.627 7.887 1.00 75.33 C ATOM 932 O LEU B 110 6.090 -12.347 6.707 1.00 72.13 O ATOM 933 CB LEU B 110 7.975 -12.499 9.398 1.00 13.15 C ATOM 934 CG LEU B 110 9.235 -12.268 8.470 1.00 64.12 C ATOM 935 CD1 LEU B 110 9.181 -13.051 7.139 1.00 21.33 C ATOM 936 CD2 LEU B 110 9.478 -10.762 8.220 1.00 33.43 C ATOM 0 H LEU B 110 5.976 -12.324 10.975 1.00 5.54 H new ATOM 0 HA LEU B 110 6.827 -10.857 8.615 1.00 54.41 H new ATOM 0 HB2 LEU B 110 8.233 -12.142 10.395 1.00 13.15 H new ATOM 0 HB3 LEU B 110 7.818 -13.575 9.475 1.00 13.15 H new ATOM 0 HG LEU B 110 10.085 -12.673 9.020 1.00 64.12 H new ATOM 0 HD11 LEU B 110 10.079 -12.842 6.557 1.00 21.33 H new ATOM 0 HD12 LEU B 110 9.125 -14.119 7.347 1.00 21.33 H new ATOM 0 HD13 LEU B 110 8.302 -12.745 6.572 1.00 21.33 H new ATOM 0 HD21 LEU B 110 10.351 -10.636 7.579 1.00 33.43 H new ATOM 0 HD22 LEU B 110 8.604 -10.328 7.733 1.00 33.43 H new ATOM 0 HD23 LEU B 110 9.651 -10.258 9.171 1.00 33.43 H new ATOM 948 N ALA B 111 4.985 -13.578 8.259 1.00 71.31 N ATOM 949 CA ALA B 111 4.133 -14.285 7.272 1.00 1.34 C ATOM 950 C ALA B 111 3.164 -13.292 6.611 1.00 44.04 C ATOM 951 O ALA B 111 3.000 -13.283 5.383 1.00 45.34 O ATOM 952 CB ALA B 111 3.356 -15.442 7.919 1.00 33.15 C ATOM 0 H ALA B 111 4.840 -13.872 9.225 1.00 71.31 H new ATOM 0 HA ALA B 111 4.785 -14.714 6.511 1.00 1.34 H new ATOM 0 HB1 ALA B 111 2.743 -15.936 7.165 1.00 33.15 H new ATOM 0 HB2 ALA B 111 4.058 -16.160 8.343 1.00 33.15 H new ATOM 0 HB3 ALA B 111 2.714 -15.052 8.709 1.00 33.15 H new ATOM 958 N GLU B 112 2.552 -12.442 7.460 1.00 10.13 N ATOM 959 CA GLU B 112 1.700 -11.334 7.017 1.00 31.22 C ATOM 960 C GLU B 112 2.520 -10.314 6.199 1.00 33.01 C ATOM 961 O GLU B 112 2.051 -9.838 5.192 1.00 64.51 O ATOM 962 CB GLU B 112 1.037 -10.642 8.242 1.00 1.21 C ATOM 963 CG GLU B 112 0.219 -9.362 7.913 1.00 4.42 C ATOM 964 CD GLU B 112 -1.120 -9.560 7.182 1.00 74.43 C ATOM 965 OE1 GLU B 112 -1.543 -10.703 6.922 1.00 64.54 O ATOM 966 OE2 GLU B 112 -1.764 -8.541 6.864 1.00 74.33 O ATOM 0 H GLU B 112 2.639 -12.510 8.474 1.00 10.13 H new ATOM 0 HA GLU B 112 0.915 -11.735 6.376 1.00 31.22 H new ATOM 0 HB2 GLU B 112 0.379 -11.359 8.733 1.00 1.21 H new ATOM 0 HB3 GLU B 112 1.816 -10.382 8.959 1.00 1.21 H new ATOM 0 HG2 GLU B 112 0.021 -8.837 8.847 1.00 4.42 H new ATOM 0 HG3 GLU B 112 0.844 -8.707 7.305 1.00 4.42 H new ATOM 973 N ASN B 113 3.765 -10.044 6.638 1.00 54.11 N ATOM 974 CA ASN B 113 4.694 -9.068 6.005 1.00 14.22 C ATOM 975 C ASN B 113 5.062 -9.506 4.572 1.00 32.32 C ATOM 976 O ASN B 113 5.173 -8.678 3.664 1.00 13.04 O ATOM 977 CB ASN B 113 5.970 -8.942 6.882 1.00 23.33 C ATOM 978 CG ASN B 113 7.059 -8.024 6.321 1.00 4.34 C ATOM 979 OD1 ASN B 113 7.082 -6.769 6.744 1.00 74.23 O flip ATOM 980 ND2 ASN B 113 7.894 -8.454 5.523 1.00 72.42 N flip ATOM 0 H ASN B 113 4.167 -10.502 7.456 1.00 54.11 H new ATOM 0 HA ASN B 113 4.201 -8.098 5.936 1.00 14.22 H new ATOM 0 HB2 ASN B 113 5.680 -8.575 7.867 1.00 23.33 H new ATOM 0 HB3 ASN B 113 6.393 -9.936 7.024 1.00 23.33 H new ATOM 0 HD21 ASN B 113 7.852 -9.425 5.215 1.00 72.42 H new ATOM 0 HD22 ASN B 113 8.627 -7.839 5.171 1.00 72.42 H new ATOM 987 N GLU B 114 5.236 -10.826 4.401 1.00 35.10 N ATOM 988 CA GLU B 114 5.486 -11.464 3.100 1.00 2.05 C ATOM 989 C GLU B 114 4.244 -11.344 2.206 1.00 62.43 C ATOM 990 O GLU B 114 4.354 -11.016 1.012 1.00 44.30 O ATOM 991 CB GLU B 114 5.905 -12.957 3.305 1.00 32.40 C ATOM 992 CG GLU B 114 5.416 -13.923 2.200 1.00 15.10 C ATOM 993 CD GLU B 114 6.135 -15.277 2.191 1.00 55.50 C ATOM 994 OE1 GLU B 114 7.075 -15.455 1.393 1.00 14.34 O ATOM 995 OE2 GLU B 114 5.766 -16.163 2.981 1.00 23.32 O ATOM 0 H GLU B 114 5.206 -11.490 5.175 1.00 35.10 H new ATOM 0 HA GLU B 114 6.308 -10.953 2.599 1.00 2.05 H new ATOM 0 HB2 GLU B 114 6.992 -13.011 3.361 1.00 32.40 H new ATOM 0 HB3 GLU B 114 5.519 -13.300 4.265 1.00 32.40 H new ATOM 0 HG2 GLU B 114 4.347 -14.092 2.327 1.00 15.10 H new ATOM 0 HG3 GLU B 114 5.550 -13.446 1.229 1.00 15.10 H new ATOM 1002 N LYS B 115 3.066 -11.622 2.802 1.00 1.54 N ATOM 1003 CA LYS B 115 1.778 -11.451 2.125 1.00 3.32 C ATOM 1004 C LYS B 115 1.628 -9.996 1.643 1.00 12.14 C ATOM 1005 O LYS B 115 1.232 -9.752 0.505 1.00 74.13 O ATOM 1006 CB LYS B 115 0.586 -11.801 3.057 1.00 5.55 C ATOM 1007 CG LYS B 115 -0.801 -11.748 2.352 1.00 23.43 C ATOM 1008 CD LYS B 115 -1.973 -11.365 3.284 1.00 60.21 C ATOM 1009 CE LYS B 115 -1.947 -9.876 3.667 1.00 52.50 C ATOM 1010 NZ LYS B 115 -3.062 -9.528 4.586 1.00 42.53 N ATOM 0 H LYS B 115 2.988 -11.968 3.758 1.00 1.54 H new ATOM 0 HA LYS B 115 1.762 -12.134 1.276 1.00 3.32 H new ATOM 0 HB2 LYS B 115 0.738 -12.800 3.465 1.00 5.55 H new ATOM 0 HB3 LYS B 115 0.581 -11.110 3.900 1.00 5.55 H new ATOM 0 HG2 LYS B 115 -0.753 -11.029 1.534 1.00 23.43 H new ATOM 0 HG3 LYS B 115 -1.008 -12.722 1.909 1.00 23.43 H new ATOM 0 HD2 LYS B 115 -2.917 -11.595 2.791 1.00 60.21 H new ATOM 0 HD3 LYS B 115 -1.929 -11.972 4.188 1.00 60.21 H new ATOM 0 HE2 LYS B 115 -0.995 -9.639 4.142 1.00 52.50 H new ATOM 0 HE3 LYS B 115 -2.014 -9.267 2.766 1.00 52.50 H new ATOM 0 HZ1 LYS B 115 -2.690 -8.994 5.397 1.00 42.53 H new ATOM 0 HZ2 LYS B 115 -3.761 -8.947 4.080 1.00 42.53 H new ATOM 0 HZ3 LYS B 115 -3.517 -10.399 4.925 1.00 42.53 H new ATOM 1024 N LEU B 116 2.023 -9.054 2.531 1.00 32.51 N ATOM 1025 CA LEU B 116 1.949 -7.609 2.286 1.00 44.24 C ATOM 1026 C LEU B 116 2.888 -7.201 1.145 1.00 41.14 C ATOM 1027 O LEU B 116 2.548 -6.351 0.329 1.00 51.32 O ATOM 1028 CB LEU B 116 2.272 -6.799 3.564 1.00 54.31 C ATOM 1029 CG LEU B 116 1.250 -6.928 4.731 1.00 51.54 C ATOM 1030 CD1 LEU B 116 1.757 -6.221 6.001 1.00 23.12 C ATOM 1031 CD2 LEU B 116 -0.144 -6.419 4.328 1.00 55.52 C ATOM 0 H LEU B 116 2.406 -9.287 3.447 1.00 32.51 H new ATOM 0 HA LEU B 116 0.924 -7.380 1.994 1.00 44.24 H new ATOM 0 HB2 LEU B 116 3.251 -7.109 3.929 1.00 54.31 H new ATOM 0 HB3 LEU B 116 2.352 -5.746 3.292 1.00 54.31 H new ATOM 0 HG LEU B 116 1.153 -7.990 4.958 1.00 51.54 H new ATOM 0 HD11 LEU B 116 1.020 -6.330 6.797 1.00 23.12 H new ATOM 0 HD12 LEU B 116 2.699 -6.669 6.315 1.00 23.12 H new ATOM 0 HD13 LEU B 116 1.911 -5.162 5.791 1.00 23.12 H new ATOM 0 HD21 LEU B 116 -0.828 -6.526 5.170 1.00 55.52 H new ATOM 0 HD22 LEU B 116 -0.080 -5.369 4.044 1.00 55.52 H new ATOM 0 HD23 LEU B 116 -0.514 -7.001 3.484 1.00 55.52 H new ATOM 1043 N LYS B 117 4.048 -7.852 1.089 1.00 22.45 N ATOM 1044 CA LYS B 117 5.048 -7.645 0.033 1.00 14.14 C ATOM 1045 C LYS B 117 4.465 -8.075 -1.337 1.00 73.34 C ATOM 1046 O LYS B 117 4.597 -7.362 -2.341 1.00 20.43 O ATOM 1047 CB LYS B 117 6.349 -8.413 0.441 1.00 70.41 C ATOM 1048 CG LYS B 117 7.513 -8.479 -0.594 1.00 24.04 C ATOM 1049 CD LYS B 117 7.380 -9.640 -1.618 1.00 34.34 C ATOM 1050 CE LYS B 117 7.194 -11.016 -0.946 1.00 64.22 C ATOM 1051 NZ LYS B 117 7.210 -12.125 -1.939 1.00 55.20 N ATOM 0 H LYS B 117 4.327 -8.547 1.782 1.00 22.45 H new ATOM 0 HA LYS B 117 5.309 -6.593 -0.078 1.00 14.14 H new ATOM 0 HB2 LYS B 117 6.736 -7.954 1.351 1.00 70.41 H new ATOM 0 HB3 LYS B 117 6.068 -9.435 0.694 1.00 70.41 H new ATOM 0 HG2 LYS B 117 7.559 -7.534 -1.135 1.00 24.04 H new ATOM 0 HG3 LYS B 117 8.456 -8.586 -0.059 1.00 24.04 H new ATOM 0 HD2 LYS B 117 6.531 -9.444 -2.273 1.00 34.34 H new ATOM 0 HD3 LYS B 117 8.270 -9.666 -2.247 1.00 34.34 H new ATOM 0 HE2 LYS B 117 7.986 -11.173 -0.214 1.00 64.22 H new ATOM 0 HE3 LYS B 117 6.250 -11.030 -0.402 1.00 64.22 H new ATOM 0 HZ1 LYS B 117 7.082 -13.033 -1.448 1.00 55.20 H new ATOM 0 HZ2 LYS B 117 6.438 -11.990 -2.623 1.00 55.20 H new ATOM 0 HZ3 LYS B 117 8.121 -12.128 -2.441 1.00 55.20 H new ATOM 1065 N ALA B 118 3.753 -9.212 -1.340 1.00 45.53 N ATOM 1066 CA ALA B 118 3.217 -9.825 -2.569 1.00 30.24 C ATOM 1067 C ALA B 118 1.985 -9.058 -3.099 1.00 5.13 C ATOM 1068 O ALA B 118 1.829 -8.885 -4.316 1.00 1.34 O ATOM 1069 CB ALA B 118 2.878 -11.297 -2.298 1.00 73.22 C ATOM 0 H ALA B 118 3.532 -9.734 -0.492 1.00 45.53 H new ATOM 0 HA ALA B 118 3.980 -9.770 -3.346 1.00 30.24 H new ATOM 0 HB1 ALA B 118 2.481 -11.752 -3.206 1.00 73.22 H new ATOM 0 HB2 ALA B 118 3.779 -11.827 -1.990 1.00 73.22 H new ATOM 0 HB3 ALA B 118 2.132 -11.359 -1.506 1.00 73.22 H new ATOM 1075 N GLN B 119 1.121 -8.594 -2.169 1.00 42.44 N ATOM 1076 CA GLN B 119 -0.128 -7.889 -2.514 1.00 54.11 C ATOM 1077 C GLN B 119 0.158 -6.460 -2.980 1.00 13.34 C ATOM 1078 O GLN B 119 -0.501 -5.976 -3.895 1.00 25.42 O ATOM 1079 CB GLN B 119 -1.131 -7.917 -1.317 1.00 51.32 C ATOM 1080 CG GLN B 119 -0.631 -7.249 -0.013 1.00 71.32 C ATOM 1081 CD GLN B 119 -0.818 -5.730 0.079 1.00 24.43 C ATOM 1082 OE1 GLN B 119 -1.764 -5.162 -0.461 1.00 71.23 O ATOM 1083 NE2 GLN B 119 0.117 -5.055 0.732 1.00 35.25 N ATOM 0 H GLN B 119 1.271 -8.698 -1.165 1.00 42.44 H new ATOM 0 HA GLN B 119 -0.597 -8.413 -3.347 1.00 54.11 H new ATOM 0 HB2 GLN B 119 -2.053 -7.425 -1.626 1.00 51.32 H new ATOM 0 HB3 GLN B 119 -1.382 -8.955 -1.100 1.00 51.32 H new ATOM 0 HG2 GLN B 119 -1.147 -7.710 0.829 1.00 71.32 H new ATOM 0 HG3 GLN B 119 0.430 -7.472 0.102 1.00 71.32 H new ATOM 0 HE21 GLN B 119 0.892 -5.552 1.171 1.00 35.25 H new ATOM 0 HE22 GLN B 119 0.062 -4.038 0.795 1.00 35.25 H new ATOM 1092 N LEU B 120 1.147 -5.777 -2.329 1.00 73.51 N ATOM 1093 CA LEU B 120 1.539 -4.407 -2.726 1.00 50.13 C ATOM 1094 C LEU B 120 2.125 -4.456 -4.119 1.00 63.53 C ATOM 1095 O LEU B 120 1.878 -3.570 -4.923 1.00 43.42 O ATOM 1096 CB LEU B 120 2.527 -3.736 -1.710 1.00 22.35 C ATOM 1097 CG LEU B 120 4.049 -4.194 -1.683 1.00 45.42 C ATOM 1098 CD1 LEU B 120 4.935 -3.461 -2.728 1.00 54.31 C ATOM 1099 CD2 LEU B 120 4.664 -4.031 -0.284 1.00 24.42 C ATOM 0 H LEU B 120 1.674 -6.153 -1.541 1.00 73.51 H new ATOM 0 HA LEU B 120 0.648 -3.779 -2.720 1.00 50.13 H new ATOM 0 HB2 LEU B 120 2.512 -2.663 -1.899 1.00 22.35 H new ATOM 0 HB3 LEU B 120 2.122 -3.889 -0.710 1.00 22.35 H new ATOM 0 HG LEU B 120 4.033 -5.250 -1.952 1.00 45.42 H new ATOM 0 HD11 LEU B 120 5.960 -3.823 -2.653 1.00 54.31 H new ATOM 0 HD12 LEU B 120 4.553 -3.657 -3.730 1.00 54.31 H new ATOM 0 HD13 LEU B 120 4.914 -2.388 -2.535 1.00 54.31 H new ATOM 0 HD21 LEU B 120 5.705 -4.354 -0.304 1.00 24.42 H new ATOM 0 HD22 LEU B 120 4.615 -2.984 0.015 1.00 24.42 H new ATOM 0 HD23 LEU B 120 4.109 -4.639 0.430 1.00 24.42 H new ATOM 1111 N HIS B 121 2.909 -5.530 -4.377 1.00 72.41 N ATOM 1112 CA HIS B 121 3.532 -5.776 -5.675 1.00 13.41 C ATOM 1113 C HIS B 121 2.448 -5.836 -6.750 1.00 33.21 C ATOM 1114 O HIS B 121 2.538 -5.137 -7.753 1.00 42.14 O ATOM 1115 CB HIS B 121 4.344 -7.094 -5.638 1.00 32.32 C ATOM 1116 CG HIS B 121 5.234 -7.324 -6.833 1.00 62.04 C ATOM 1117 ND1 HIS B 121 6.598 -7.157 -6.785 1.00 4.52 N ATOM 1118 CD2 HIS B 121 4.961 -7.757 -8.088 1.00 34.22 C ATOM 1119 CE1 HIS B 121 7.121 -7.475 -7.949 1.00 5.51 C ATOM 1120 NE2 HIS B 121 6.152 -7.844 -8.758 1.00 23.13 N ATOM 0 H HIS B 121 3.120 -6.245 -3.681 1.00 72.41 H new ATOM 0 HA HIS B 121 4.220 -4.964 -5.910 1.00 13.41 H new ATOM 0 HB2 HIS B 121 4.959 -7.100 -4.738 1.00 32.32 H new ATOM 0 HB3 HIS B 121 3.649 -7.930 -5.554 1.00 32.32 H new ATOM 0 HD2 HIS B 121 3.985 -7.990 -8.486 1.00 34.22 H new ATOM 0 HE1 HIS B 121 8.171 -7.439 -8.199 1.00 5.51 H new ATOM 0 HE2 HIS B 121 6.268 -8.145 -9.725 1.00 23.13 H new ATOM 1129 N ASP B 122 1.403 -6.646 -6.473 1.00 61.45 N ATOM 1130 CA ASP B 122 0.250 -6.824 -7.370 1.00 63.11 C ATOM 1131 C ASP B 122 -0.463 -5.482 -7.615 1.00 65.23 C ATOM 1132 O ASP B 122 -0.687 -5.121 -8.756 1.00 5.30 O ATOM 1133 CB ASP B 122 -0.743 -7.862 -6.786 1.00 43.24 C ATOM 1134 CG ASP B 122 -1.962 -8.122 -7.705 1.00 73.35 C ATOM 1135 OD1 ASP B 122 -1.828 -8.912 -8.666 1.00 24.21 O ATOM 1136 OD2 ASP B 122 -3.048 -7.540 -7.470 1.00 43.22 O ATOM 0 H ASP B 122 1.339 -7.195 -5.616 1.00 61.45 H new ATOM 0 HA ASP B 122 0.620 -7.197 -8.325 1.00 63.11 H new ATOM 0 HB2 ASP B 122 -0.218 -8.802 -6.615 1.00 43.24 H new ATOM 0 HB3 ASP B 122 -1.095 -7.512 -5.816 1.00 43.24 H new ATOM 1141 N THR B 123 -0.740 -4.733 -6.524 1.00 23.10 N ATOM 1142 CA THR B 123 -1.503 -3.463 -6.571 1.00 53.43 C ATOM 1143 C THR B 123 -0.716 -2.357 -7.321 1.00 72.35 C ATOM 1144 O THR B 123 -1.303 -1.508 -8.007 1.00 44.43 O ATOM 1145 CB THR B 123 -1.857 -2.972 -5.124 1.00 33.02 C ATOM 1146 OG1 THR B 123 -2.492 -4.033 -4.384 1.00 11.23 O ATOM 1147 CG2 THR B 123 -2.801 -1.753 -5.138 1.00 10.11 C ATOM 0 H THR B 123 -0.441 -4.992 -5.584 1.00 23.10 H new ATOM 0 HA THR B 123 -2.426 -3.659 -7.116 1.00 53.43 H new ATOM 0 HB THR B 123 -0.920 -2.679 -4.650 1.00 33.02 H new ATOM 0 HG1 THR B 123 -1.833 -4.728 -4.178 1.00 11.23 H new ATOM 0 HG21 THR B 123 -3.018 -1.449 -4.114 1.00 10.11 H new ATOM 0 HG22 THR B 123 -2.323 -0.929 -5.668 1.00 10.11 H new ATOM 0 HG23 THR B 123 -3.730 -2.018 -5.642 1.00 10.11 H new ATOM 1155 N ASN B 124 0.624 -2.397 -7.187 1.00 23.14 N ATOM 1156 CA ASN B 124 1.537 -1.478 -7.892 1.00 64.40 C ATOM 1157 C ASN B 124 1.567 -1.833 -9.386 1.00 52.32 C ATOM 1158 O ASN B 124 1.604 -0.946 -10.233 1.00 73.43 O ATOM 1159 CB ASN B 124 2.975 -1.535 -7.289 1.00 41.12 C ATOM 1160 CG ASN B 124 3.155 -0.851 -5.918 1.00 22.23 C ATOM 1161 OD1 ASN B 124 2.131 -0.848 -5.064 1.00 33.44 O flip ATOM 1162 ND2 ASN B 124 4.235 -0.341 -5.618 1.00 41.22 N flip ATOM 0 H ASN B 124 1.103 -3.068 -6.587 1.00 23.14 H new ATOM 0 HA ASN B 124 1.169 -0.460 -7.768 1.00 64.40 H new ATOM 0 HB2 ASN B 124 3.267 -2.581 -7.194 1.00 41.12 H new ATOM 0 HB3 ASN B 124 3.664 -1.075 -7.997 1.00 41.12 H new ATOM 0 HD21 ASN B 124 5.007 -0.353 -6.284 1.00 41.22 H new ATOM 0 HD22 ASN B 124 4.357 0.093 -4.703 1.00 41.22 H new ATOM 1169 N MET B 125 1.529 -3.149 -9.686 1.00 52.40 N ATOM 1170 CA MET B 125 1.476 -3.669 -11.064 1.00 62.42 C ATOM 1171 C MET B 125 0.124 -3.371 -11.731 1.00 52.31 C ATOM 1172 O MET B 125 0.071 -3.169 -12.947 1.00 31.41 O ATOM 1173 CB MET B 125 1.750 -5.196 -11.070 1.00 23.43 C ATOM 1174 CG MET B 125 3.191 -5.621 -10.693 1.00 4.52 C ATOM 1175 SD MET B 125 4.307 -5.842 -12.104 1.00 74.53 S ATOM 1176 CE MET B 125 4.541 -4.174 -12.715 1.00 22.42 C ATOM 0 H MET B 125 1.534 -3.881 -8.975 1.00 52.40 H new ATOM 0 HA MET B 125 2.250 -3.162 -11.640 1.00 62.42 H new ATOM 0 HB2 MET B 125 1.057 -5.674 -10.377 1.00 23.43 H new ATOM 0 HB3 MET B 125 1.525 -5.583 -12.064 1.00 23.43 H new ATOM 0 HG2 MET B 125 3.614 -4.870 -10.026 1.00 4.52 H new ATOM 0 HG3 MET B 125 3.145 -6.555 -10.133 1.00 4.52 H new ATOM 0 HE1 MET B 125 5.446 -4.132 -13.320 1.00 22.42 H new ATOM 0 HE2 MET B 125 3.684 -3.886 -13.324 1.00 22.42 H new ATOM 0 HE3 MET B 125 4.635 -3.488 -11.873 1.00 22.42 H new ATOM 1186 N GLU B 126 -0.959 -3.345 -10.924 1.00 65.34 N ATOM 1187 CA GLU B 126 -2.286 -2.936 -11.394 1.00 12.32 C ATOM 1188 C GLU B 126 -2.229 -1.460 -11.798 1.00 34.30 C ATOM 1189 O GLU B 126 -2.695 -1.092 -12.858 1.00 74.12 O ATOM 1190 CB GLU B 126 -3.363 -3.135 -10.293 1.00 24.43 C ATOM 1191 CG GLU B 126 -3.583 -4.580 -9.800 1.00 22.32 C ATOM 1192 CD GLU B 126 -4.136 -5.543 -10.868 1.00 22.40 C ATOM 1193 OE1 GLU B 126 -5.375 -5.697 -10.963 1.00 22.14 O ATOM 1194 OE2 GLU B 126 -3.343 -6.165 -11.604 1.00 33.05 O ATOM 0 H GLU B 126 -0.932 -3.606 -9.938 1.00 65.34 H new ATOM 0 HA GLU B 126 -2.563 -3.556 -12.247 1.00 12.32 H new ATOM 0 HB2 GLU B 126 -3.092 -2.519 -9.435 1.00 24.43 H new ATOM 0 HB3 GLU B 126 -4.312 -2.755 -10.671 1.00 24.43 H new ATOM 0 HG2 GLU B 126 -2.636 -4.973 -9.431 1.00 22.32 H new ATOM 0 HG3 GLU B 126 -4.271 -4.561 -8.955 1.00 22.32 H new ATOM 1201 N LEU B 127 -1.596 -0.643 -10.933 1.00 71.31 N ATOM 1202 CA LEU B 127 -1.432 0.805 -11.148 1.00 73.31 C ATOM 1203 C LEU B 127 -0.513 1.099 -12.365 1.00 0.31 C ATOM 1204 O LEU B 127 -0.727 2.078 -13.085 1.00 42.45 O ATOM 1205 CB LEU B 127 -0.872 1.463 -9.857 1.00 61.32 C ATOM 1206 CG LEU B 127 -0.676 3.016 -9.909 1.00 15.31 C ATOM 1207 CD1 LEU B 127 -2.029 3.763 -9.921 1.00 2.44 C ATOM 1208 CD2 LEU B 127 0.233 3.504 -8.765 1.00 51.32 C ATOM 0 H LEU B 127 -1.182 -0.973 -10.061 1.00 71.31 H new ATOM 0 HA LEU B 127 -2.408 1.235 -11.373 1.00 73.31 H new ATOM 0 HB2 LEU B 127 -1.545 1.229 -9.032 1.00 61.32 H new ATOM 0 HB3 LEU B 127 0.089 1.003 -9.625 1.00 61.32 H new ATOM 0 HG LEU B 127 -0.174 3.250 -10.848 1.00 15.31 H new ATOM 0 HD11 LEU B 127 -1.851 4.838 -9.957 1.00 2.44 H new ATOM 0 HD12 LEU B 127 -2.604 3.461 -10.796 1.00 2.44 H new ATOM 0 HD13 LEU B 127 -2.588 3.518 -9.018 1.00 2.44 H new ATOM 0 HD21 LEU B 127 0.349 4.586 -8.829 1.00 51.32 H new ATOM 0 HD22 LEU B 127 -0.216 3.243 -7.807 1.00 51.32 H new ATOM 0 HD23 LEU B 127 1.210 3.028 -8.849 1.00 51.32 H new ATOM 1220 N THR B 128 0.496 0.229 -12.593 1.00 4.40 N ATOM 1221 CA THR B 128 1.428 0.350 -13.741 1.00 41.14 C ATOM 1222 C THR B 128 0.706 -0.046 -15.057 1.00 4.54 C ATOM 1223 O THR B 128 0.913 0.562 -16.118 1.00 74.15 O ATOM 1224 CB THR B 128 2.709 -0.528 -13.519 1.00 22.51 C ATOM 1225 OG1 THR B 128 3.326 -0.163 -12.271 1.00 23.03 O ATOM 1226 CG2 THR B 128 3.744 -0.372 -14.658 1.00 11.12 C ATOM 0 H THR B 128 0.688 -0.572 -11.992 1.00 4.40 H new ATOM 0 HA THR B 128 1.749 1.389 -13.819 1.00 41.14 H new ATOM 0 HB THR B 128 2.389 -1.570 -13.507 1.00 22.51 H new ATOM 0 HG1 THR B 128 2.742 -0.424 -11.529 1.00 23.03 H new ATOM 0 HG21 THR B 128 4.609 -1.002 -14.452 1.00 11.12 H new ATOM 0 HG22 THR B 128 3.293 -0.673 -15.603 1.00 11.12 H new ATOM 0 HG23 THR B 128 4.060 0.669 -14.722 1.00 11.12 H new ATOM 1234 N ASP B 129 -0.179 -1.052 -14.957 1.00 1.42 N ATOM 1235 CA ASP B 129 -1.054 -1.474 -16.067 1.00 12.35 C ATOM 1236 C ASP B 129 -2.103 -0.383 -16.337 1.00 43.45 C ATOM 1237 O ASP B 129 -2.457 -0.119 -17.479 1.00 72.42 O ATOM 1238 CB ASP B 129 -1.745 -2.824 -15.727 1.00 31.54 C ATOM 1239 CG ASP B 129 -2.667 -3.342 -16.851 1.00 65.51 C ATOM 1240 OD1 ASP B 129 -2.175 -4.033 -17.770 1.00 35.11 O ATOM 1241 OD2 ASP B 129 -3.888 -3.069 -16.820 1.00 1.22 O ATOM 0 H ASP B 129 -0.309 -1.597 -14.104 1.00 1.42 H new ATOM 0 HA ASP B 129 -0.452 -1.617 -16.964 1.00 12.35 H new ATOM 0 HB2 ASP B 129 -0.980 -3.573 -15.521 1.00 31.54 H new ATOM 0 HB3 ASP B 129 -2.329 -2.705 -14.814 1.00 31.54 H new ATOM 1246 N LEU B 130 -2.552 0.265 -15.257 1.00 32.43 N ATOM 1247 CA LEU B 130 -3.589 1.304 -15.295 1.00 65.32 C ATOM 1248 C LEU B 130 -3.062 2.602 -15.919 1.00 34.10 C ATOM 1249 O LEU B 130 -3.816 3.303 -16.600 1.00 23.52 O ATOM 1250 CB LEU B 130 -4.167 1.561 -13.859 1.00 52.21 C ATOM 1251 CG LEU B 130 -5.611 1.027 -13.608 1.00 44.23 C ATOM 1252 CD1 LEU B 130 -6.609 1.678 -14.582 1.00 33.24 C ATOM 1253 CD2 LEU B 130 -5.684 -0.520 -13.681 1.00 5.44 C ATOM 0 H LEU B 130 -2.201 0.080 -14.317 1.00 32.43 H new ATOM 0 HA LEU B 130 -4.399 0.944 -15.930 1.00 65.32 H new ATOM 0 HB2 LEU B 130 -3.498 1.103 -13.130 1.00 52.21 H new ATOM 0 HB3 LEU B 130 -4.158 2.634 -13.670 1.00 52.21 H new ATOM 0 HG LEU B 130 -5.889 1.308 -12.592 1.00 44.23 H new ATOM 0 HD11 LEU B 130 -7.610 1.292 -14.390 1.00 33.24 H new ATOM 0 HD12 LEU B 130 -6.604 2.759 -14.440 1.00 33.24 H new ATOM 0 HD13 LEU B 130 -6.321 1.445 -15.607 1.00 33.24 H new ATOM 0 HD21 LEU B 130 -6.709 -0.845 -13.500 1.00 5.44 H new ATOM 0 HD22 LEU B 130 -5.367 -0.853 -14.669 1.00 5.44 H new ATOM 0 HD23 LEU B 130 -5.028 -0.951 -12.925 1.00 5.44 H new ATOM 1265 N LYS B 131 -1.776 2.923 -15.661 1.00 21.25 N ATOM 1266 CA LYS B 131 -1.122 4.107 -16.245 1.00 13.23 C ATOM 1267 C LYS B 131 -0.842 3.840 -17.735 1.00 54.34 C ATOM 1268 O LYS B 131 -0.801 4.772 -18.538 1.00 55.24 O ATOM 1269 CB LYS B 131 0.174 4.508 -15.448 1.00 2.21 C ATOM 1270 CG LYS B 131 1.445 3.646 -15.698 1.00 21.33 C ATOM 1271 CD LYS B 131 2.278 4.100 -16.933 1.00 62.31 C ATOM 1272 CE LYS B 131 3.333 3.076 -17.362 1.00 11.21 C ATOM 1273 NZ LYS B 131 4.109 3.552 -18.542 1.00 1.21 N ATOM 0 H LYS B 131 -1.171 2.375 -15.050 1.00 21.25 H new ATOM 0 HA LYS B 131 -1.789 4.965 -16.168 1.00 13.23 H new ATOM 0 HB2 LYS B 131 0.413 5.544 -15.688 1.00 2.21 H new ATOM 0 HB3 LYS B 131 -0.057 4.472 -14.383 1.00 2.21 H new ATOM 0 HG2 LYS B 131 2.078 3.682 -14.811 1.00 21.33 H new ATOM 0 HG3 LYS B 131 1.147 2.606 -15.835 1.00 21.33 H new ATOM 0 HD2 LYS B 131 1.603 4.288 -17.768 1.00 62.31 H new ATOM 0 HD3 LYS B 131 2.771 5.044 -16.703 1.00 62.31 H new ATOM 0 HE2 LYS B 131 4.013 2.883 -16.532 1.00 11.21 H new ATOM 0 HE3 LYS B 131 2.847 2.130 -17.602 1.00 11.21 H new ATOM 0 HZ1 LYS B 131 4.654 2.761 -18.941 1.00 1.21 H new ATOM 0 HZ2 LYS B 131 3.455 3.920 -19.262 1.00 1.21 H new ATOM 0 HZ3 LYS B 131 4.760 4.308 -18.247 1.00 1.21 H new ATOM 1287 N LEU B 132 -0.605 2.549 -18.076 1.00 33.11 N ATOM 1288 CA LEU B 132 -0.434 2.116 -19.469 1.00 40.32 C ATOM 1289 C LEU B 132 -1.745 2.312 -20.241 1.00 30.12 C ATOM 1290 O LEU B 132 -1.749 2.848 -21.345 1.00 63.44 O ATOM 1291 CB LEU B 132 0.016 0.639 -19.544 1.00 42.30 C ATOM 1292 CG LEU B 132 0.311 0.098 -20.983 1.00 55.22 C ATOM 1293 CD1 LEU B 132 1.510 0.824 -21.634 1.00 74.55 C ATOM 1294 CD2 LEU B 132 0.515 -1.428 -20.973 1.00 51.21 C ATOM 0 H LEU B 132 -0.529 1.793 -17.396 1.00 33.11 H new ATOM 0 HA LEU B 132 0.346 2.727 -19.924 1.00 40.32 H new ATOM 0 HB2 LEU B 132 0.914 0.520 -18.938 1.00 42.30 H new ATOM 0 HB3 LEU B 132 -0.758 0.018 -19.093 1.00 42.30 H new ATOM 0 HG LEU B 132 -0.564 0.312 -21.596 1.00 55.22 H new ATOM 0 HD11 LEU B 132 1.682 0.420 -22.631 1.00 74.55 H new ATOM 0 HD12 LEU B 132 1.294 1.890 -21.707 1.00 74.55 H new ATOM 0 HD13 LEU B 132 2.401 0.675 -21.023 1.00 74.55 H new ATOM 0 HD21 LEU B 132 0.718 -1.775 -21.986 1.00 51.21 H new ATOM 0 HD22 LEU B 132 1.357 -1.678 -20.328 1.00 51.21 H new ATOM 0 HD23 LEU B 132 -0.386 -1.913 -20.597 1.00 51.21 H new ATOM 1306 N GLN B 133 -2.862 1.886 -19.629 1.00 15.44 N ATOM 1307 CA GLN B 133 -4.199 2.103 -20.195 1.00 25.52 C ATOM 1308 C GLN B 133 -4.490 3.609 -20.281 1.00 42.41 C ATOM 1309 O GLN B 133 -5.145 4.055 -21.214 1.00 65.43 O ATOM 1310 CB GLN B 133 -5.298 1.414 -19.347 1.00 51.33 C ATOM 1311 CG GLN B 133 -5.151 -0.105 -19.160 1.00 61.11 C ATOM 1312 CD GLN B 133 -6.359 -0.730 -18.452 1.00 12.32 C ATOM 1313 OE1 GLN B 133 -6.409 -0.611 -17.136 1.00 21.44 O flip ATOM 1314 NE2 GLN B 133 -7.284 -1.230 -19.092 1.00 34.34 N flip ATOM 0 H GLN B 133 -2.863 1.388 -18.739 1.00 15.44 H new ATOM 0 HA GLN B 133 -4.213 1.662 -21.192 1.00 25.52 H new ATOM 0 HB2 GLN B 133 -5.316 1.881 -18.362 1.00 51.33 H new ATOM 0 HB3 GLN B 133 -6.264 1.611 -19.811 1.00 51.33 H new ATOM 0 HG2 GLN B 133 -5.021 -0.577 -20.134 1.00 61.11 H new ATOM 0 HG3 GLN B 133 -4.249 -0.311 -18.583 1.00 61.11 H new ATOM 0 HE21 GLN B 133 -7.218 -1.309 -20.107 1.00 34.34 H new ATOM 0 HE22 GLN B 133 -8.117 -1.565 -18.608 1.00 34.34 H new ATOM 1323 N LEU B 134 -3.985 4.367 -19.278 1.00 75.31 N ATOM 1324 CA LEU B 134 -4.208 5.817 -19.143 1.00 30.13 C ATOM 1325 C LEU B 134 -3.674 6.532 -20.383 1.00 61.34 C ATOM 1326 O LEU B 134 -4.451 7.119 -21.143 1.00 50.12 O ATOM 1327 CB LEU B 134 -3.538 6.329 -17.821 1.00 2.11 C ATOM 1328 CG LEU B 134 -4.067 7.655 -17.171 1.00 32.43 C ATOM 1329 CD1 LEU B 134 -3.644 8.935 -17.930 1.00 63.12 C ATOM 1330 CD2 LEU B 134 -5.596 7.589 -16.984 1.00 62.32 C ATOM 0 H LEU B 134 -3.405 3.979 -18.534 1.00 75.31 H new ATOM 0 HA LEU B 134 -5.274 6.035 -19.074 1.00 30.13 H new ATOM 0 HB2 LEU B 134 -3.629 5.538 -17.077 1.00 2.11 H new ATOM 0 HB3 LEU B 134 -2.474 6.460 -18.019 1.00 2.11 H new ATOM 0 HG LEU B 134 -3.592 7.731 -16.193 1.00 32.43 H new ATOM 0 HD11 LEU B 134 -4.047 9.810 -17.421 1.00 63.12 H new ATOM 0 HD12 LEU B 134 -2.556 9.000 -17.956 1.00 63.12 H new ATOM 0 HD13 LEU B 134 -4.030 8.898 -18.949 1.00 63.12 H new ATOM 0 HD21 LEU B 134 -5.948 8.516 -16.532 1.00 62.32 H new ATOM 0 HD22 LEU B 134 -6.076 7.453 -17.953 1.00 62.32 H new ATOM 0 HD23 LEU B 134 -5.847 6.751 -16.334 1.00 62.32 H new ATOM 1342 N GLU B 135 -2.354 6.390 -20.608 1.00 43.30 N ATOM 1343 CA GLU B 135 -1.640 7.031 -21.725 1.00 12.13 C ATOM 1344 C GLU B 135 -2.234 6.597 -23.089 1.00 53.13 C ATOM 1345 O GLU B 135 -2.369 7.418 -23.993 1.00 32.35 O ATOM 1346 CB GLU B 135 -0.122 6.700 -21.639 1.00 54.40 C ATOM 1347 CG GLU B 135 0.196 5.197 -21.695 1.00 34.01 C ATOM 1348 CD GLU B 135 1.679 4.855 -21.523 1.00 44.41 C ATOM 1349 OE1 GLU B 135 2.417 4.868 -22.531 1.00 62.25 O ATOM 1350 OE2 GLU B 135 2.106 4.549 -20.391 1.00 62.35 O ATOM 0 H GLU B 135 -1.750 5.822 -20.014 1.00 43.30 H new ATOM 0 HA GLU B 135 -1.765 8.111 -21.648 1.00 12.13 H new ATOM 0 HB2 GLU B 135 0.395 7.201 -22.457 1.00 54.40 H new ATOM 0 HB3 GLU B 135 0.277 7.111 -20.711 1.00 54.40 H new ATOM 0 HG2 GLU B 135 -0.374 4.689 -20.917 1.00 34.01 H new ATOM 0 HG3 GLU B 135 -0.147 4.801 -22.651 1.00 34.01 H new ATOM 1357 N LYS B 136 -2.638 5.312 -23.198 1.00 41.44 N ATOM 1358 CA LYS B 136 -3.247 4.753 -24.428 1.00 35.24 C ATOM 1359 C LYS B 136 -4.669 5.312 -24.673 1.00 2.33 C ATOM 1360 O LYS B 136 -5.082 5.491 -25.824 1.00 11.14 O ATOM 1361 CB LYS B 136 -3.282 3.200 -24.347 1.00 30.32 C ATOM 1362 CG LYS B 136 -1.893 2.511 -24.403 1.00 41.03 C ATOM 1363 CD LYS B 136 -1.946 0.963 -24.235 1.00 34.34 C ATOM 1364 CE LYS B 136 -2.489 0.209 -25.471 1.00 3.20 C ATOM 1365 NZ LYS B 136 -3.931 0.480 -25.756 1.00 51.32 N ATOM 0 H LYS B 136 -2.552 4.635 -22.440 1.00 41.44 H new ATOM 0 HA LYS B 136 -2.628 5.056 -25.272 1.00 35.24 H new ATOM 0 HB2 LYS B 136 -3.778 2.910 -23.421 1.00 30.32 H new ATOM 0 HB3 LYS B 136 -3.892 2.822 -25.167 1.00 30.32 H new ATOM 0 HG2 LYS B 136 -1.420 2.747 -25.356 1.00 41.03 H new ATOM 0 HG3 LYS B 136 -1.259 2.930 -23.621 1.00 41.03 H new ATOM 0 HD2 LYS B 136 -0.943 0.598 -24.013 1.00 34.34 H new ATOM 0 HD3 LYS B 136 -2.570 0.723 -23.374 1.00 34.34 H new ATOM 0 HE2 LYS B 136 -1.897 0.486 -26.343 1.00 3.20 H new ATOM 0 HE3 LYS B 136 -2.353 -0.862 -25.321 1.00 3.20 H new ATOM 0 HZ1 LYS B 136 -4.371 -0.371 -26.160 1.00 51.32 H new ATOM 0 HZ2 LYS B 136 -4.417 0.736 -24.873 1.00 51.32 H new ATOM 0 HZ3 LYS B 136 -4.009 1.265 -26.434 1.00 51.32 H new ATOM 1379 N ALA B 137 -5.404 5.601 -23.587 1.00 41.23 N ATOM 1380 CA ALA B 137 -6.800 6.084 -23.666 1.00 1.12 C ATOM 1381 C ALA B 137 -6.869 7.618 -23.684 1.00 63.14 C ATOM 1382 O ALA B 137 -7.949 8.182 -23.905 1.00 74.23 O ATOM 1383 CB ALA B 137 -7.632 5.517 -22.499 1.00 21.51 C ATOM 0 H ALA B 137 -5.054 5.509 -22.633 1.00 41.23 H new ATOM 0 HA ALA B 137 -7.222 5.726 -24.605 1.00 1.12 H new ATOM 0 HB1 ALA B 137 -8.657 5.882 -22.572 1.00 21.51 H new ATOM 0 HB2 ALA B 137 -7.630 4.428 -22.546 1.00 21.51 H new ATOM 0 HB3 ALA B 137 -7.198 5.840 -21.552 1.00 21.51 H new ATOM 1389 N THR B 138 -5.725 8.305 -23.455 1.00 75.44 N ATOM 1390 CA THR B 138 -5.689 9.776 -23.420 1.00 43.52 C ATOM 1391 C THR B 138 -4.640 10.367 -24.379 1.00 24.34 C ATOM 1392 O THR B 138 -3.823 9.659 -24.973 1.00 33.05 O ATOM 1393 CB THR B 138 -5.437 10.317 -21.969 1.00 61.25 C ATOM 1394 OG1 THR B 138 -5.778 11.713 -21.921 1.00 5.10 O ATOM 1395 CG2 THR B 138 -3.980 10.145 -21.495 1.00 4.30 C ATOM 0 H THR B 138 -4.821 7.861 -23.293 1.00 75.44 H new ATOM 0 HA THR B 138 -6.674 10.102 -23.755 1.00 43.52 H new ATOM 0 HB THR B 138 -6.064 9.728 -21.300 1.00 61.25 H new ATOM 0 HG1 THR B 138 -6.750 11.810 -21.838 1.00 5.10 H new ATOM 0 HG21 THR B 138 -3.877 10.540 -20.484 1.00 4.30 H new ATOM 0 HG22 THR B 138 -3.719 9.087 -21.499 1.00 4.30 H new ATOM 0 HG23 THR B 138 -3.313 10.686 -22.166 1.00 4.30 H new ATOM 1403 N GLN B 139 -4.701 11.691 -24.482 1.00 22.41 N ATOM 1404 CA GLN B 139 -3.762 12.543 -25.230 1.00 1.13 C ATOM 1405 C GLN B 139 -2.783 13.233 -24.249 1.00 61.03 C ATOM 1406 O GLN B 139 -1.804 13.852 -24.669 1.00 23.53 O ATOM 1407 CB GLN B 139 -4.548 13.621 -26.040 1.00 22.04 C ATOM 1408 CG GLN B 139 -5.442 14.563 -25.185 1.00 21.35 C ATOM 1409 CD GLN B 139 -6.730 13.908 -24.660 1.00 44.23 C ATOM 1410 OE1 GLN B 139 -7.326 13.056 -25.318 1.00 74.01 O ATOM 1411 NE2 GLN B 139 -7.125 14.242 -23.447 1.00 61.24 N ATOM 0 H GLN B 139 -5.438 12.231 -24.028 1.00 22.41 H new ATOM 0 HA GLN B 139 -3.195 11.922 -25.924 1.00 1.13 H new ATOM 0 HB2 GLN B 139 -3.834 14.228 -26.596 1.00 22.04 H new ATOM 0 HB3 GLN B 139 -5.176 13.116 -26.774 1.00 22.04 H new ATOM 0 HG2 GLN B 139 -4.861 14.925 -24.337 1.00 21.35 H new ATOM 0 HG3 GLN B 139 -5.709 15.434 -25.784 1.00 21.35 H new ATOM 0 HE21 GLN B 139 -6.614 14.951 -22.922 1.00 61.24 H new ATOM 0 HE22 GLN B 139 -7.941 13.791 -23.034 1.00 61.24 H new ATOM 1420 N ARG B 140 -3.080 13.116 -22.935 1.00 53.54 N ATOM 1421 CA ARG B 140 -2.319 13.753 -21.835 1.00 34.10 C ATOM 1422 C ARG B 140 -1.012 12.968 -21.535 1.00 32.34 C ATOM 1423 O ARG B 140 -0.541 12.188 -22.372 1.00 54.22 O ATOM 1424 CB ARG B 140 -3.253 13.860 -20.575 1.00 3.55 C ATOM 1425 CG ARG B 140 -3.082 15.152 -19.730 1.00 52.03 C ATOM 1426 CD ARG B 140 -3.460 16.420 -20.508 1.00 35.22 C ATOM 1427 NE ARG B 140 -3.137 17.660 -19.778 1.00 70.13 N ATOM 1428 CZ ARG B 140 -2.884 18.851 -20.358 1.00 65.13 C ATOM 1429 NH1 ARG B 140 -2.914 18.982 -21.682 1.00 21.45 N ATOM 1430 NH2 ARG B 140 -2.602 19.913 -19.610 1.00 34.13 N ATOM 0 H ARG B 140 -3.871 12.565 -22.602 1.00 53.54 H new ATOM 0 HA ARG B 140 -2.010 14.757 -22.127 1.00 34.10 H new ATOM 0 HB2 ARG B 140 -4.290 13.796 -20.905 1.00 3.55 H new ATOM 0 HB3 ARG B 140 -3.069 12.999 -19.933 1.00 3.55 H new ATOM 0 HG2 ARG B 140 -3.701 15.081 -18.835 1.00 52.03 H new ATOM 0 HG3 ARG B 140 -2.047 15.230 -19.397 1.00 52.03 H new ATOM 0 HD2 ARG B 140 -2.938 16.422 -21.465 1.00 35.22 H new ATOM 0 HD3 ARG B 140 -4.528 16.401 -20.727 1.00 35.22 H new ATOM 0 HE ARG B 140 -3.102 17.613 -18.760 1.00 70.13 H new ATOM 0 HH11 ARG B 140 -3.130 18.177 -22.269 1.00 21.45 H new ATOM 0 HH12 ARG B 140 -2.721 19.888 -22.109 1.00 21.45 H new ATOM 0 HH21 ARG B 140 -2.576 19.829 -18.594 1.00 34.13 H new ATOM 0 HH22 ARG B 140 -2.411 20.812 -20.052 1.00 34.13 H new ATOM 1444 N GLN B 141 -0.428 13.211 -20.344 1.00 54.44 N ATOM 1445 CA GLN B 141 0.848 12.598 -19.911 1.00 22.03 C ATOM 1446 C GLN B 141 0.836 11.049 -19.943 1.00 23.32 C ATOM 1447 O GLN B 141 -0.220 10.397 -19.971 1.00 31.43 O ATOM 1448 CB GLN B 141 1.263 13.082 -18.480 1.00 23.33 C ATOM 1449 CG GLN B 141 0.418 12.532 -17.296 1.00 21.45 C ATOM 1450 CD GLN B 141 -0.951 13.190 -17.134 1.00 1.42 C ATOM 1451 OE1 GLN B 141 -1.121 14.373 -17.418 1.00 63.33 O ATOM 1452 NE2 GLN B 141 -1.934 12.428 -16.684 1.00 72.02 N ATOM 0 H GLN B 141 -0.830 13.842 -19.650 1.00 54.44 H new ATOM 0 HA GLN B 141 1.584 12.935 -20.641 1.00 22.03 H new ATOM 0 HB2 GLN B 141 2.305 12.807 -18.314 1.00 23.33 H new ATOM 0 HB3 GLN B 141 1.214 14.171 -18.459 1.00 23.33 H new ATOM 0 HG2 GLN B 141 0.277 11.460 -17.434 1.00 21.45 H new ATOM 0 HG3 GLN B 141 0.982 12.663 -16.372 1.00 21.45 H new ATOM 0 HE21 GLN B 141 -1.758 11.449 -16.458 1.00 72.02 H new ATOM 0 HE22 GLN B 141 -2.868 12.819 -16.563 1.00 72.02 H new ATOM 1461 N GLU B 142 2.055 10.500 -19.903 1.00 72.32 N ATOM 1462 CA GLU B 142 2.329 9.054 -19.816 1.00 13.33 C ATOM 1463 C GLU B 142 2.151 8.591 -18.355 1.00 43.24 C ATOM 1464 O GLU B 142 1.925 7.402 -18.078 1.00 61.51 O ATOM 1465 CB GLU B 142 3.779 8.785 -20.307 1.00 14.53 C ATOM 1466 CG GLU B 142 4.240 7.314 -20.218 1.00 22.41 C ATOM 1467 CD GLU B 142 5.719 7.123 -20.564 1.00 61.24 C ATOM 1468 OE1 GLU B 142 6.038 6.565 -21.634 1.00 61.34 O ATOM 1469 OE2 GLU B 142 6.578 7.539 -19.760 1.00 74.54 O ATOM 0 H GLU B 142 2.906 11.062 -19.931 1.00 72.32 H new ATOM 0 HA GLU B 142 1.635 8.496 -20.445 1.00 13.33 H new ATOM 0 HB2 GLU B 142 3.862 9.113 -21.343 1.00 14.53 H new ATOM 0 HB3 GLU B 142 4.464 9.400 -19.723 1.00 14.53 H new ATOM 0 HG2 GLU B 142 4.059 6.944 -19.209 1.00 22.41 H new ATOM 0 HG3 GLU B 142 3.635 6.709 -20.893 1.00 22.41 H new ATOM 1476 N ARG B 143 2.286 9.587 -17.446 1.00 22.32 N ATOM 1477 CA ARG B 143 2.077 9.473 -16.003 1.00 53.25 C ATOM 1478 C ARG B 143 3.340 8.893 -15.336 1.00 73.05 C ATOM 1479 O ARG B 143 4.100 9.621 -14.688 1.00 34.43 O ATOM 1480 CB ARG B 143 0.766 8.677 -15.648 1.00 34.40 C ATOM 1481 CG ARG B 143 -0.025 9.206 -14.437 1.00 24.24 C ATOM 1482 CD ARG B 143 0.805 9.272 -13.138 1.00 1.25 C ATOM 1483 NE ARG B 143 -0.037 9.368 -11.930 1.00 72.24 N ATOM 1484 CZ ARG B 143 0.377 9.790 -10.721 1.00 62.54 C ATOM 1485 NH1 ARG B 143 1.633 10.179 -10.522 1.00 4.12 N ATOM 1486 NH2 ARG B 143 -0.470 9.789 -9.704 1.00 14.44 N ATOM 0 H ARG B 143 2.556 10.531 -17.723 1.00 22.32 H new ATOM 0 HA ARG B 143 1.916 10.471 -15.595 1.00 53.25 H new ATOM 0 HB2 ARG B 143 0.111 8.684 -16.519 1.00 34.40 H new ATOM 0 HB3 ARG B 143 1.033 7.637 -15.459 1.00 34.40 H new ATOM 0 HG2 ARG B 143 -0.403 10.202 -14.668 1.00 24.24 H new ATOM 0 HG3 ARG B 143 -0.892 8.566 -14.272 1.00 24.24 H new ATOM 0 HD2 ARG B 143 1.434 8.385 -13.068 1.00 1.25 H new ATOM 0 HD3 ARG B 143 1.472 10.133 -13.181 1.00 1.25 H new ATOM 0 HE ARG B 143 -1.015 9.091 -12.019 1.00 72.24 H new ATOM 0 HH11 ARG B 143 2.301 10.161 -11.293 1.00 4.12 H new ATOM 0 HH12 ARG B 143 1.929 10.496 -9.599 1.00 4.12 H new ATOM 0 HH21 ARG B 143 -1.429 9.470 -9.840 1.00 14.44 H new ATOM 0 HH22 ARG B 143 -0.163 10.107 -8.785 1.00 14.44 H new ATOM 1500 N PHE B 144 3.571 7.595 -15.533 1.00 12.10 N ATOM 1501 CA PHE B 144 4.665 6.850 -14.884 1.00 52.50 C ATOM 1502 C PHE B 144 5.674 6.371 -15.961 1.00 60.41 C ATOM 1503 O PHE B 144 6.882 6.660 -15.837 1.00 30.01 O ATOM 1504 CB PHE B 144 4.063 5.674 -14.072 1.00 25.15 C ATOM 1505 CG PHE B 144 5.073 4.825 -13.305 1.00 12.11 C ATOM 1506 CD1 PHE B 144 5.307 3.488 -13.650 1.00 34.43 C ATOM 1507 CD2 PHE B 144 5.784 5.362 -12.231 1.00 72.21 C ATOM 1508 CE1 PHE B 144 6.226 2.727 -12.953 1.00 32.44 C ATOM 1509 CE2 PHE B 144 6.702 4.597 -11.534 1.00 51.14 C ATOM 1510 CZ PHE B 144 6.920 3.279 -11.893 1.00 4.45 C ATOM 0 H PHE B 144 3.001 7.020 -16.153 1.00 12.10 H new ATOM 0 HA PHE B 144 5.211 7.489 -14.190 1.00 52.50 H new ATOM 0 HB2 PHE B 144 3.339 6.077 -13.363 1.00 25.15 H new ATOM 0 HB3 PHE B 144 3.514 5.026 -14.755 1.00 25.15 H new ATOM 0 HD1 PHE B 144 4.762 3.046 -14.471 1.00 34.43 H new ATOM 0 HD2 PHE B 144 5.615 6.388 -11.940 1.00 72.21 H new ATOM 0 HE1 PHE B 144 6.402 1.700 -13.237 1.00 32.44 H new ATOM 0 HE2 PHE B 144 7.249 5.029 -10.709 1.00 51.14 H new ATOM 0 HZ PHE B 144 7.633 2.681 -11.345 1.00 4.45 H new TER 1520 PHE B 144