USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 0.173 K(o=0.95,f=-1.4) USER MOD Set 1.2: A 91 THR OG1 : rot -88:sc= 0.781 USER MOD Set 2.1: A 46 ASN : amide:sc= -1.3! K(o=-0.83!,f=1.1) USER MOD Set 2.2: A 78 SER OG : rot 100:sc= 0.466 USER MOD Set 3.1: A 44 HIS : no HE2:sc= -0.105 K(o=-2.3,f=-5.8) USER MOD Set 3.2: A 84 ASN : amide:sc= -2.23 K(o=-2.3,f=-3.5) USER MOD Set 3.3: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.43) USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0945 (180deg=-0.492) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.00193 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.078) USER MOD Single : A 8 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.44) USER MOD Single : A 10 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.78) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 15 SER OG : rot -130:sc= -1.24 USER MOD Single : A 17 MET CE :methyl -174:sc= 0 (180deg=-0.024) USER MOD Single : A 27 GLN : amide:sc= 0.083 X(o=0.083,f=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 56 ASN : amide:sc= -2.54! K(o=-2.5!,f=-0.17) USER MOD Single : A 58 SER OG : rot 83:sc= 0.127 USER MOD Single : A 59 LYS NZ :NH3+ -173:sc=-0.00859 (180deg=-0.0921) USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= -0.957 (180deg=-3.64!) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc=-0.000322 (180deg=-0.0585) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 87 SER OG : rot 72:sc= -0.542 USER MOD Single : A 90 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.013) USER MOD Single : A 95 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.21) USER MOD Single : A 97 LYS NZ :NH3+ 151:sc= 1.18 (180deg=0.566) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.233 26.097 -28.134 1.00 54.35 N ATOM 2 CA MET A 1 17.817 24.976 -28.900 1.00 20.13 C ATOM 3 C MET A 1 18.755 24.163 -27.994 1.00 63.23 C ATOM 4 O MET A 1 19.595 24.746 -27.300 1.00 25.21 O ATOM 5 CB MET A 1 18.591 25.529 -30.129 1.00 52.21 C ATOM 6 CG MET A 1 19.105 24.459 -31.099 1.00 51.23 C ATOM 7 SD MET A 1 17.766 23.504 -31.837 1.00 12.31 S ATOM 8 CE MET A 1 16.847 24.768 -32.738 1.00 31.01 C ATOM 0 H1 MET A 1 17.306 26.973 -28.690 1.00 54.35 H new ATOM 0 H2 MET A 1 16.232 25.897 -27.934 1.00 54.35 H new ATOM 0 H3 MET A 1 17.749 26.211 -27.238 1.00 54.35 H new ATOM 0 HA MET A 1 17.020 24.322 -29.254 1.00 20.13 H new ATOM 0 HB2 MET A 1 17.939 26.211 -30.675 1.00 52.21 H new ATOM 0 HB3 MET A 1 19.439 26.115 -29.773 1.00 52.21 H new ATOM 0 HG2 MET A 1 19.686 24.936 -31.888 1.00 51.23 H new ATOM 0 HG3 MET A 1 19.779 23.786 -30.570 1.00 51.23 H new ATOM 0 HE1 MET A 1 16.193 24.291 -33.468 1.00 31.01 H new ATOM 0 HE2 MET A 1 16.247 25.350 -32.038 1.00 31.01 H new ATOM 0 HE3 MET A 1 17.545 25.428 -33.253 1.00 31.01 H new ATOM 20 N GLY A 2 18.598 22.825 -28.002 1.00 31.05 N ATOM 21 CA GLY A 2 19.500 21.923 -27.282 1.00 53.23 C ATOM 22 C GLY A 2 19.182 21.818 -25.796 1.00 34.21 C ATOM 23 O GLY A 2 19.749 22.554 -24.973 1.00 64.45 O ATOM 0 H GLY A 2 17.849 22.349 -28.504 1.00 31.05 H new ATOM 0 HA2 GLY A 2 19.445 20.931 -27.730 1.00 53.23 H new ATOM 0 HA3 GLY A 2 20.526 22.271 -27.404 1.00 53.23 H new ATOM 27 N HIS A 3 18.254 20.916 -25.445 1.00 20.34 N ATOM 28 CA HIS A 3 17.878 20.647 -24.042 1.00 11.22 C ATOM 29 C HIS A 3 18.321 19.241 -23.625 1.00 23.52 C ATOM 30 O HIS A 3 18.663 18.402 -24.468 1.00 35.23 O ATOM 31 CB HIS A 3 16.347 20.811 -23.840 1.00 14.13 C ATOM 32 CG HIS A 3 15.884 22.241 -23.793 1.00 51.13 C ATOM 33 ND1 HIS A 3 15.305 22.810 -22.678 1.00 35.42 N ATOM 34 CD2 HIS A 3 15.918 23.215 -24.730 1.00 33.12 C ATOM 35 CE1 HIS A 3 15.007 24.068 -22.935 1.00 41.14 C ATOM 36 NE2 HIS A 3 15.366 24.336 -24.171 1.00 23.21 N ATOM 0 H HIS A 3 17.741 20.351 -26.122 1.00 20.34 H new ATOM 0 HA HIS A 3 18.388 21.374 -23.410 1.00 11.22 H new ATOM 0 HB2 HIS A 3 15.828 20.298 -24.650 1.00 14.13 H new ATOM 0 HB3 HIS A 3 16.059 20.316 -22.913 1.00 14.13 H new ATOM 0 HD2 HIS A 3 16.308 23.125 -25.733 1.00 33.12 H new ATOM 0 HE1 HIS A 3 14.546 24.761 -22.247 1.00 41.14 H new ATOM 0 HE2 HIS A 3 15.252 25.235 -24.639 1.00 23.21 H new ATOM 45 N HIS A 4 18.289 19.012 -22.302 1.00 63.32 N ATOM 46 CA HIS A 4 18.614 17.719 -21.672 1.00 42.43 C ATOM 47 C HIS A 4 17.475 16.696 -21.886 1.00 15.15 C ATOM 48 O HIS A 4 16.347 17.070 -22.223 1.00 40.23 O ATOM 49 CB HIS A 4 18.882 17.935 -20.161 1.00 73.44 C ATOM 50 CG HIS A 4 20.103 18.764 -19.860 1.00 63.53 C ATOM 51 ND1 HIS A 4 20.064 19.944 -19.142 1.00 35.40 N ATOM 52 CD2 HIS A 4 21.409 18.559 -20.159 1.00 44.12 C ATOM 53 CE1 HIS A 4 21.289 20.419 -19.011 1.00 33.55 C ATOM 54 NE2 HIS A 4 22.118 19.598 -19.618 1.00 45.01 N ATOM 0 H HIS A 4 18.032 19.732 -21.627 1.00 63.32 H new ATOM 0 HA HIS A 4 19.511 17.314 -22.140 1.00 42.43 H new ATOM 0 HB2 HIS A 4 18.012 18.416 -19.715 1.00 73.44 H new ATOM 0 HB3 HIS A 4 18.990 16.963 -19.681 1.00 73.44 H new ATOM 0 HD2 HIS A 4 21.815 17.730 -20.720 1.00 44.12 H new ATOM 0 HE1 HIS A 4 21.563 21.327 -18.494 1.00 33.55 H new ATOM 0 HE2 HIS A 4 23.129 19.717 -19.677 1.00 45.01 H new ATOM 63 N HIS A 5 17.791 15.406 -21.665 1.00 0.30 N ATOM 64 CA HIS A 5 16.892 14.269 -21.978 1.00 71.22 C ATOM 65 C HIS A 5 16.892 13.269 -20.810 1.00 21.44 C ATOM 66 O HIS A 5 15.869 13.057 -20.147 1.00 72.02 O ATOM 67 CB HIS A 5 17.357 13.542 -23.283 1.00 50.41 C ATOM 68 CG HIS A 5 17.545 14.454 -24.474 1.00 64.55 C ATOM 69 ND1 HIS A 5 18.767 14.648 -25.090 1.00 51.14 N ATOM 70 CD2 HIS A 5 16.667 15.242 -25.143 1.00 45.54 C ATOM 71 CE1 HIS A 5 18.629 15.509 -26.080 1.00 53.05 C ATOM 72 NE2 HIS A 5 17.368 15.884 -26.132 1.00 24.21 N ATOM 0 H HIS A 5 18.682 15.117 -21.262 1.00 0.30 H new ATOM 0 HA HIS A 5 15.885 14.657 -22.130 1.00 71.22 H new ATOM 0 HB2 HIS A 5 18.297 13.028 -23.083 1.00 50.41 H new ATOM 0 HB3 HIS A 5 16.624 12.777 -23.539 1.00 50.41 H new ATOM 0 HD2 HIS A 5 15.612 15.345 -24.936 1.00 45.54 H new ATOM 0 HE1 HIS A 5 19.417 15.849 -26.736 1.00 53.05 H new ATOM 0 HE2 HIS A 5 16.975 16.546 -26.801 1.00 24.21 H new ATOM 81 N HIS A 6 18.067 12.677 -20.576 1.00 54.41 N ATOM 82 CA HIS A 6 18.288 11.640 -19.562 1.00 30.53 C ATOM 83 C HIS A 6 19.724 11.758 -19.033 1.00 73.44 C ATOM 84 O HIS A 6 20.630 12.147 -19.782 1.00 44.44 O ATOM 85 CB HIS A 6 18.023 10.229 -20.160 1.00 61.41 C ATOM 86 CG HIS A 6 18.835 9.881 -21.391 1.00 42.42 C ATOM 87 ND1 HIS A 6 18.317 9.921 -22.672 1.00 21.01 N ATOM 88 CD2 HIS A 6 20.114 9.450 -21.529 1.00 13.42 C ATOM 89 CE1 HIS A 6 19.234 9.528 -23.531 1.00 34.14 C ATOM 90 NE2 HIS A 6 20.329 9.241 -22.866 1.00 32.11 N ATOM 0 H HIS A 6 18.911 12.911 -21.098 1.00 54.41 H new ATOM 0 HA HIS A 6 17.592 11.780 -18.735 1.00 30.53 H new ATOM 0 HB2 HIS A 6 18.224 9.484 -19.391 1.00 61.41 H new ATOM 0 HB3 HIS A 6 16.965 10.152 -20.410 1.00 61.41 H new ATOM 0 HD2 HIS A 6 20.829 9.300 -20.734 1.00 13.42 H new ATOM 0 HE1 HIS A 6 19.107 9.454 -24.601 1.00 34.14 H new ATOM 0 HE2 HIS A 6 21.202 8.914 -23.279 1.00 32.11 H new ATOM 99 N HIS A 7 19.923 11.426 -17.752 1.00 52.33 N ATOM 100 CA HIS A 7 21.230 11.560 -17.084 1.00 31.20 C ATOM 101 C HIS A 7 21.341 10.575 -15.902 1.00 32.22 C ATOM 102 O HIS A 7 20.399 10.439 -15.108 1.00 25.31 O ATOM 103 CB HIS A 7 21.419 13.022 -16.605 1.00 33.13 C ATOM 104 CG HIS A 7 22.687 13.281 -15.832 1.00 62.14 C ATOM 105 ND1 HIS A 7 22.713 13.479 -14.469 1.00 5.34 N ATOM 106 CD2 HIS A 7 23.976 13.351 -16.238 1.00 44.30 C ATOM 107 CE1 HIS A 7 23.954 13.663 -14.078 1.00 44.31 C ATOM 108 NE2 HIS A 7 24.738 13.584 -15.127 1.00 73.44 N ATOM 0 H HIS A 7 19.188 11.058 -17.148 1.00 52.33 H new ATOM 0 HA HIS A 7 22.021 11.316 -17.794 1.00 31.20 H new ATOM 0 HB2 HIS A 7 21.401 13.678 -17.475 1.00 33.13 H new ATOM 0 HB3 HIS A 7 20.569 13.297 -15.981 1.00 33.13 H new ATOM 0 HD2 HIS A 7 24.336 13.243 -17.251 1.00 44.30 H new ATOM 0 HE1 HIS A 7 24.275 13.848 -13.063 1.00 44.31 H new ATOM 0 HE2 HIS A 7 25.753 13.681 -15.116 1.00 73.44 H new ATOM 117 N HIS A 8 22.505 9.906 -15.807 1.00 64.34 N ATOM 118 CA HIS A 8 22.844 9.005 -14.693 1.00 44.33 C ATOM 119 C HIS A 8 24.385 8.906 -14.569 1.00 21.31 C ATOM 120 O HIS A 8 25.051 8.323 -15.430 1.00 53.01 O ATOM 121 CB HIS A 8 22.188 7.593 -14.874 1.00 43.12 C ATOM 122 CG HIS A 8 22.469 6.909 -16.196 1.00 53.22 C ATOM 123 ND1 HIS A 8 23.530 6.048 -16.397 1.00 73.24 N ATOM 124 CD2 HIS A 8 21.817 6.970 -17.388 1.00 75.21 C ATOM 125 CE1 HIS A 8 23.515 5.615 -17.642 1.00 14.34 C ATOM 126 NE2 HIS A 8 22.491 6.156 -18.265 1.00 51.33 N ATOM 0 H HIS A 8 23.242 9.977 -16.508 1.00 64.34 H new ATOM 0 HA HIS A 8 22.440 9.417 -13.768 1.00 44.33 H new ATOM 0 HB2 HIS A 8 22.534 6.945 -14.069 1.00 43.12 H new ATOM 0 HB3 HIS A 8 21.109 7.695 -14.760 1.00 43.12 H new ATOM 0 HD2 HIS A 8 20.933 7.551 -17.605 1.00 75.21 H new ATOM 0 HE1 HIS A 8 24.226 4.929 -18.078 1.00 14.34 H new ATOM 0 HE2 HIS A 8 22.239 5.997 -19.240 1.00 51.33 H new ATOM 135 N GLU A 9 24.932 9.546 -13.515 1.00 60.13 N ATOM 136 CA GLU A 9 26.359 9.441 -13.134 1.00 5.14 C ATOM 137 C GLU A 9 26.685 7.981 -12.790 1.00 22.44 C ATOM 138 O GLU A 9 27.695 7.426 -13.228 1.00 14.43 O ATOM 139 CB GLU A 9 26.635 10.359 -11.909 1.00 63.43 C ATOM 140 CG GLU A 9 26.348 11.852 -12.167 1.00 72.51 C ATOM 141 CD GLU A 9 26.252 12.682 -10.881 1.00 63.42 C ATOM 142 OE1 GLU A 9 25.170 12.698 -10.255 1.00 73.25 O ATOM 143 OE2 GLU A 9 27.254 13.309 -10.475 1.00 33.23 O ATOM 0 H GLU A 9 24.393 10.155 -12.899 1.00 60.13 H new ATOM 0 HA GLU A 9 26.990 9.760 -13.964 1.00 5.14 H new ATOM 0 HB2 GLU A 9 26.025 10.022 -11.071 1.00 63.43 H new ATOM 0 HB3 GLU A 9 27.677 10.246 -11.611 1.00 63.43 H new ATOM 0 HG2 GLU A 9 27.136 12.263 -12.798 1.00 72.51 H new ATOM 0 HG3 GLU A 9 25.414 11.945 -12.722 1.00 72.51 H new ATOM 150 N ASN A 10 25.772 7.385 -12.009 1.00 14.12 N ATOM 151 CA ASN A 10 25.786 5.961 -11.653 1.00 41.04 C ATOM 152 C ASN A 10 24.394 5.581 -11.107 1.00 55.22 C ATOM 153 O ASN A 10 23.693 6.429 -10.526 1.00 13.12 O ATOM 154 CB ASN A 10 26.891 5.650 -10.601 1.00 43.23 C ATOM 155 CG ASN A 10 27.026 4.157 -10.279 1.00 13.25 C ATOM 156 OD1 ASN A 10 26.788 3.294 -11.130 1.00 4.00 O ATOM 157 ND2 ASN A 10 27.386 3.836 -9.054 1.00 22.43 N ATOM 0 H ASN A 10 24.987 7.892 -11.599 1.00 14.12 H new ATOM 0 HA ASN A 10 26.014 5.370 -12.540 1.00 41.04 H new ATOM 0 HB2 ASN A 10 27.847 6.022 -10.969 1.00 43.23 H new ATOM 0 HB3 ASN A 10 26.670 6.193 -9.682 1.00 43.23 H new ATOM 0 HD21 ASN A 10 27.474 2.855 -8.789 1.00 22.43 H new ATOM 0 HD22 ASN A 10 27.577 4.568 -8.370 1.00 22.43 H new ATOM 164 N LEU A 11 24.000 4.321 -11.318 1.00 31.21 N ATOM 165 CA LEU A 11 22.760 3.770 -10.754 1.00 23.33 C ATOM 166 C LEU A 11 22.966 3.393 -9.279 1.00 4.25 C ATOM 167 O LEU A 11 24.105 3.238 -8.812 1.00 72.12 O ATOM 168 CB LEU A 11 22.273 2.567 -11.625 1.00 0.32 C ATOM 169 CG LEU A 11 23.307 1.411 -11.932 1.00 5.23 C ATOM 170 CD1 LEU A 11 23.535 0.462 -10.729 1.00 12.42 C ATOM 171 CD2 LEU A 11 22.890 0.606 -13.188 1.00 13.23 C ATOM 0 H LEU A 11 24.528 3.655 -11.882 1.00 31.21 H new ATOM 0 HA LEU A 11 21.974 4.525 -10.776 1.00 23.33 H new ATOM 0 HB2 LEU A 11 21.411 2.122 -11.128 1.00 0.32 H new ATOM 0 HB3 LEU A 11 21.922 2.964 -12.578 1.00 0.32 H new ATOM 0 HG LEU A 11 24.259 1.903 -12.128 1.00 5.23 H new ATOM 0 HD11 LEU A 11 24.255 -0.309 -11.005 1.00 12.42 H new ATOM 0 HD12 LEU A 11 23.920 1.032 -9.884 1.00 12.42 H new ATOM 0 HD13 LEU A 11 22.591 -0.006 -10.451 1.00 12.42 H new ATOM 0 HD21 LEU A 11 23.620 -0.182 -13.374 1.00 13.23 H new ATOM 0 HD22 LEU A 11 21.909 0.160 -13.025 1.00 13.23 H new ATOM 0 HD23 LEU A 11 22.848 1.272 -14.050 1.00 13.23 H new ATOM 183 N TYR A 12 21.855 3.235 -8.558 1.00 72.13 N ATOM 184 CA TYR A 12 21.873 2.882 -7.135 1.00 51.02 C ATOM 185 C TYR A 12 21.927 1.355 -6.972 1.00 71.51 C ATOM 186 O TYR A 12 20.895 0.696 -6.789 1.00 31.53 O ATOM 187 CB TYR A 12 20.628 3.471 -6.425 1.00 74.53 C ATOM 188 CG TYR A 12 20.531 4.990 -6.494 1.00 30.54 C ATOM 189 CD1 TYR A 12 19.911 5.633 -7.570 1.00 74.21 C ATOM 190 CD2 TYR A 12 21.070 5.785 -5.487 1.00 12.42 C ATOM 191 CE1 TYR A 12 19.834 7.008 -7.629 1.00 20.40 C ATOM 192 CE2 TYR A 12 20.994 7.154 -5.545 1.00 42.43 C ATOM 193 CZ TYR A 12 20.383 7.760 -6.612 1.00 4.53 C ATOM 194 OH TYR A 12 20.322 9.130 -6.669 1.00 1.51 O ATOM 0 H TYR A 12 20.917 3.348 -8.943 1.00 72.13 H new ATOM 0 HA TYR A 12 22.763 3.307 -6.672 1.00 51.02 H new ATOM 0 HB2 TYR A 12 19.731 3.040 -6.871 1.00 74.53 H new ATOM 0 HB3 TYR A 12 20.642 3.166 -5.379 1.00 74.53 H new ATOM 0 HD1 TYR A 12 19.485 5.043 -8.368 1.00 74.21 H new ATOM 0 HD2 TYR A 12 21.557 5.316 -4.645 1.00 12.42 H new ATOM 0 HE1 TYR A 12 19.348 7.492 -8.464 1.00 20.40 H new ATOM 0 HE2 TYR A 12 21.415 7.753 -4.751 1.00 42.43 H new ATOM 0 HH TYR A 12 20.754 9.510 -5.875 1.00 1.51 H new ATOM 204 N PHE A 13 23.139 0.797 -7.111 1.00 24.23 N ATOM 205 CA PHE A 13 23.398 -0.626 -6.827 1.00 64.02 C ATOM 206 C PHE A 13 23.481 -0.838 -5.307 1.00 44.41 C ATOM 207 O PHE A 13 23.074 -1.886 -4.792 1.00 71.10 O ATOM 208 CB PHE A 13 24.706 -1.094 -7.526 1.00 33.02 C ATOM 209 CG PHE A 13 24.918 -2.613 -7.491 1.00 24.34 C ATOM 210 CD1 PHE A 13 24.175 -3.451 -8.326 1.00 35.20 C ATOM 211 CD2 PHE A 13 25.847 -3.202 -6.629 1.00 70.45 C ATOM 212 CE1 PHE A 13 24.345 -4.821 -8.293 1.00 2.02 C ATOM 213 CE2 PHE A 13 26.018 -4.577 -6.599 1.00 71.43 C ATOM 214 CZ PHE A 13 25.269 -5.384 -7.433 1.00 0.31 C ATOM 0 H PHE A 13 23.962 1.313 -7.421 1.00 24.23 H new ATOM 0 HA PHE A 13 22.578 -1.226 -7.222 1.00 64.02 H new ATOM 0 HB2 PHE A 13 24.690 -0.763 -8.564 1.00 33.02 H new ATOM 0 HB3 PHE A 13 25.556 -0.607 -7.049 1.00 33.02 H new ATOM 0 HD1 PHE A 13 23.456 -3.021 -9.008 1.00 35.20 H new ATOM 0 HD2 PHE A 13 26.440 -2.577 -5.977 1.00 70.45 H new ATOM 0 HE1 PHE A 13 23.755 -5.453 -8.940 1.00 2.02 H new ATOM 0 HE2 PHE A 13 26.737 -5.017 -5.924 1.00 71.43 H new ATOM 0 HZ PHE A 13 25.405 -6.455 -7.413 1.00 0.31 H new ATOM 224 N GLN A 14 24.000 0.187 -4.609 1.00 32.12 N ATOM 225 CA GLN A 14 24.133 0.206 -3.142 1.00 14.43 C ATOM 226 C GLN A 14 22.785 0.594 -2.504 1.00 15.04 C ATOM 227 O GLN A 14 22.638 1.661 -1.892 1.00 22.22 O ATOM 228 CB GLN A 14 25.263 1.193 -2.731 1.00 50.22 C ATOM 229 CG GLN A 14 26.626 0.875 -3.367 1.00 14.14 C ATOM 230 CD GLN A 14 27.766 1.792 -2.907 1.00 44.45 C ATOM 231 OE1 GLN A 14 27.772 2.288 -1.780 1.00 42.45 O ATOM 232 NE2 GLN A 14 28.755 1.997 -3.764 1.00 71.21 N ATOM 0 H GLN A 14 24.344 1.038 -5.055 1.00 32.12 H new ATOM 0 HA GLN A 14 24.404 -0.786 -2.781 1.00 14.43 H new ATOM 0 HB2 GLN A 14 24.969 2.204 -3.011 1.00 50.22 H new ATOM 0 HB3 GLN A 14 25.367 1.180 -1.646 1.00 50.22 H new ATOM 0 HG2 GLN A 14 26.890 -0.157 -3.136 1.00 14.14 H new ATOM 0 HG3 GLN A 14 26.533 0.945 -4.451 1.00 14.14 H new ATOM 0 HE21 GLN A 14 28.723 1.573 -4.691 1.00 71.21 H new ATOM 0 HE22 GLN A 14 29.549 2.579 -3.497 1.00 71.21 H new ATOM 241 N SER A 15 21.791 -0.281 -2.692 1.00 30.20 N ATOM 242 CA SER A 15 20.414 -0.070 -2.238 1.00 60.23 C ATOM 243 C SER A 15 19.801 -1.418 -1.861 1.00 11.21 C ATOM 244 O SER A 15 19.872 -2.381 -2.637 1.00 1.34 O ATOM 245 CB SER A 15 19.577 0.597 -3.356 1.00 43.24 C ATOM 246 OG SER A 15 20.107 1.865 -3.700 1.00 3.53 O ATOM 0 H SER A 15 21.924 -1.171 -3.172 1.00 30.20 H new ATOM 0 HA SER A 15 20.416 0.588 -1.369 1.00 60.23 H new ATOM 0 HB2 SER A 15 19.562 -0.046 -4.236 1.00 43.24 H new ATOM 0 HB3 SER A 15 18.545 0.708 -3.025 1.00 43.24 H new ATOM 0 HG SER A 15 19.389 2.532 -3.696 1.00 3.53 H new ATOM 252 N HIS A 16 19.219 -1.478 -0.657 1.00 75.15 N ATOM 253 CA HIS A 16 18.463 -2.643 -0.186 1.00 32.04 C ATOM 254 C HIS A 16 17.136 -2.708 -0.973 1.00 4.30 C ATOM 255 O HIS A 16 16.515 -1.666 -1.193 1.00 34.10 O ATOM 256 CB HIS A 16 18.203 -2.501 1.339 1.00 74.20 C ATOM 257 CG HIS A 16 17.580 -3.702 2.002 1.00 61.04 C ATOM 258 ND1 HIS A 16 16.591 -3.612 2.961 1.00 21.43 N ATOM 259 CD2 HIS A 16 17.843 -5.022 1.877 1.00 1.52 C ATOM 260 CE1 HIS A 16 16.288 -4.818 3.389 1.00 24.20 C ATOM 261 NE2 HIS A 16 17.024 -5.689 2.743 1.00 64.23 N ATOM 0 H HIS A 16 19.260 -0.716 0.020 1.00 75.15 H new ATOM 0 HA HIS A 16 19.021 -3.565 -0.351 1.00 32.04 H new ATOM 0 HB2 HIS A 16 19.150 -2.284 1.833 1.00 74.20 H new ATOM 0 HB3 HIS A 16 17.554 -1.640 1.501 1.00 74.20 H new ATOM 0 HD2 HIS A 16 18.569 -5.468 1.213 1.00 1.52 H new ATOM 0 HE1 HIS A 16 15.555 -5.052 4.147 1.00 24.20 H new ATOM 0 HE2 HIS A 16 16.991 -6.701 2.867 1.00 64.23 H new ATOM 270 N MET A 17 16.720 -3.928 -1.397 1.00 41.30 N ATOM 271 CA MET A 17 15.475 -4.140 -2.196 1.00 1.34 C ATOM 272 C MET A 17 14.224 -3.592 -1.475 1.00 74.40 C ATOM 273 O MET A 17 13.280 -3.120 -2.112 1.00 65.10 O ATOM 274 CB MET A 17 15.278 -5.656 -2.529 1.00 25.23 C ATOM 275 CG MET A 17 14.009 -5.977 -3.351 1.00 22.41 C ATOM 276 SD MET A 17 13.771 -7.746 -3.655 1.00 73.44 S ATOM 277 CE MET A 17 12.191 -7.753 -4.514 1.00 30.42 C ATOM 0 H MET A 17 17.230 -4.789 -1.199 1.00 41.30 H new ATOM 0 HA MET A 17 15.596 -3.583 -3.125 1.00 1.34 H new ATOM 0 HB2 MET A 17 16.150 -6.009 -3.079 1.00 25.23 H new ATOM 0 HB3 MET A 17 15.241 -6.217 -1.595 1.00 25.23 H new ATOM 0 HG2 MET A 17 13.137 -5.587 -2.826 1.00 22.41 H new ATOM 0 HG3 MET A 17 14.064 -5.457 -4.307 1.00 22.41 H new ATOM 0 HE1 MET A 17 11.866 -8.782 -4.669 1.00 30.42 H new ATOM 0 HE2 MET A 17 11.449 -7.224 -3.915 1.00 30.42 H new ATOM 0 HE3 MET A 17 12.299 -7.257 -5.479 1.00 30.42 H new ATOM 287 N THR A 18 14.271 -3.634 -0.142 1.00 23.32 N ATOM 288 CA THR A 18 13.172 -3.217 0.733 1.00 3.30 C ATOM 289 C THR A 18 13.278 -1.701 1.105 1.00 54.43 C ATOM 290 O THR A 18 12.603 -1.229 2.023 1.00 71.31 O ATOM 291 CB THR A 18 13.195 -4.117 2.021 1.00 22.42 C ATOM 292 OG1 THR A 18 13.515 -5.474 1.661 1.00 12.13 O ATOM 293 CG2 THR A 18 11.861 -4.125 2.766 1.00 41.02 C ATOM 0 H THR A 18 15.089 -3.965 0.370 1.00 23.32 H new ATOM 0 HA THR A 18 12.225 -3.344 0.209 1.00 3.30 H new ATOM 0 HB THR A 18 13.950 -3.691 2.682 1.00 22.42 H new ATOM 0 HG1 THR A 18 13.530 -6.031 2.467 1.00 12.13 H new ATOM 0 HG21 THR A 18 11.939 -4.764 3.646 1.00 41.02 H new ATOM 0 HG22 THR A 18 11.611 -3.110 3.075 1.00 41.02 H new ATOM 0 HG23 THR A 18 11.080 -4.507 2.109 1.00 41.02 H new ATOM 301 N ASP A 19 14.098 -0.928 0.362 1.00 52.45 N ATOM 302 CA ASP A 19 14.288 0.527 0.616 1.00 24.53 C ATOM 303 C ASP A 19 13.784 1.356 -0.583 1.00 14.51 C ATOM 304 O ASP A 19 13.911 0.918 -1.732 1.00 71.21 O ATOM 305 CB ASP A 19 15.783 0.850 0.887 1.00 4.40 C ATOM 306 CG ASP A 19 16.026 2.321 1.296 1.00 22.21 C ATOM 307 OD1 ASP A 19 15.541 2.733 2.375 1.00 61.54 O ATOM 308 OD2 ASP A 19 16.699 3.070 0.552 1.00 24.55 O ATOM 0 H ASP A 19 14.644 -1.284 -0.423 1.00 52.45 H new ATOM 0 HA ASP A 19 13.707 0.792 1.500 1.00 24.53 H new ATOM 0 HB2 ASP A 19 16.152 0.195 1.676 1.00 4.40 H new ATOM 0 HB3 ASP A 19 16.364 0.628 -0.008 1.00 4.40 H new ATOM 313 N GLU A 20 13.198 2.532 -0.260 1.00 0.41 N ATOM 314 CA GLU A 20 12.777 3.597 -1.208 1.00 64.00 C ATOM 315 C GLU A 20 11.424 3.309 -1.891 1.00 1.30 C ATOM 316 O GLU A 20 10.560 4.193 -1.940 1.00 14.24 O ATOM 317 CB GLU A 20 13.868 3.916 -2.269 1.00 4.14 C ATOM 318 CG GLU A 20 13.534 5.096 -3.204 1.00 71.11 C ATOM 319 CD GLU A 20 14.545 5.256 -4.348 1.00 63.24 C ATOM 320 OE1 GLU A 20 14.224 4.905 -5.507 1.00 44.12 O ATOM 321 OE2 GLU A 20 15.660 5.744 -4.101 1.00 24.05 O ATOM 0 H GLU A 20 12.996 2.778 0.709 1.00 0.41 H new ATOM 0 HA GLU A 20 12.640 4.484 -0.589 1.00 64.00 H new ATOM 0 HB2 GLU A 20 14.804 4.132 -1.754 1.00 4.14 H new ATOM 0 HB3 GLU A 20 14.036 3.026 -2.876 1.00 4.14 H new ATOM 0 HG2 GLU A 20 12.538 4.950 -3.623 1.00 71.11 H new ATOM 0 HG3 GLU A 20 13.503 6.017 -2.622 1.00 71.11 H new ATOM 328 N LEU A 21 11.254 2.093 -2.448 1.00 34.33 N ATOM 329 CA LEU A 21 10.010 1.694 -3.149 1.00 45.31 C ATOM 330 C LEU A 21 8.782 1.789 -2.217 1.00 62.40 C ATOM 331 O LEU A 21 7.670 2.099 -2.662 1.00 54.02 O ATOM 332 CB LEU A 21 10.123 0.262 -3.773 1.00 61.41 C ATOM 333 CG LEU A 21 9.985 -0.980 -2.819 1.00 22.53 C ATOM 334 CD1 LEU A 21 10.013 -2.314 -3.614 1.00 30.33 C ATOM 335 CD2 LEU A 21 11.052 -0.992 -1.703 1.00 44.41 C ATOM 0 H LEU A 21 11.966 1.363 -2.427 1.00 34.33 H new ATOM 0 HA LEU A 21 9.870 2.399 -3.968 1.00 45.31 H new ATOM 0 HB2 LEU A 21 9.359 0.175 -4.545 1.00 61.41 H new ATOM 0 HB3 LEU A 21 11.090 0.192 -4.272 1.00 61.41 H new ATOM 0 HG LEU A 21 9.012 -0.886 -2.336 1.00 22.53 H new ATOM 0 HD11 LEU A 21 9.915 -3.151 -2.923 1.00 30.33 H new ATOM 0 HD12 LEU A 21 9.187 -2.332 -4.325 1.00 30.33 H new ATOM 0 HD13 LEU A 21 10.957 -2.397 -4.153 1.00 30.33 H new ATOM 0 HD21 LEU A 21 10.910 -1.871 -1.074 1.00 44.41 H new ATOM 0 HD22 LEU A 21 12.046 -1.022 -2.150 1.00 44.41 H new ATOM 0 HD23 LEU A 21 10.954 -0.092 -1.096 1.00 44.41 H new ATOM 347 N LEU A 22 9.020 1.558 -0.910 1.00 2.11 N ATOM 348 CA LEU A 22 8.005 1.691 0.138 1.00 41.41 C ATOM 349 C LEU A 22 7.606 3.167 0.303 1.00 1.34 C ATOM 350 O LEU A 22 6.418 3.491 0.337 1.00 0.41 O ATOM 351 CB LEU A 22 8.540 1.100 1.478 1.00 31.32 C ATOM 352 CG LEU A 22 8.908 -0.424 1.457 1.00 21.54 C ATOM 353 CD1 LEU A 22 9.483 -0.888 2.820 1.00 43.42 C ATOM 354 CD2 LEU A 22 7.696 -1.285 1.036 1.00 4.20 C ATOM 0 H LEU A 22 9.933 1.272 -0.556 1.00 2.11 H new ATOM 0 HA LEU A 22 7.116 1.130 -0.150 1.00 41.41 H new ATOM 0 HB2 LEU A 22 9.425 1.663 1.773 1.00 31.32 H new ATOM 0 HB3 LEU A 22 7.787 1.261 2.250 1.00 31.32 H new ATOM 0 HG LEU A 22 9.689 -0.563 0.710 1.00 21.54 H new ATOM 0 HD11 LEU A 22 9.727 -1.949 2.770 1.00 43.42 H new ATOM 0 HD12 LEU A 22 10.384 -0.319 3.047 1.00 43.42 H new ATOM 0 HD13 LEU A 22 8.742 -0.723 3.603 1.00 43.42 H new ATOM 0 HD21 LEU A 22 7.981 -2.337 1.031 1.00 4.20 H new ATOM 0 HD22 LEU A 22 6.880 -1.134 1.742 1.00 4.20 H new ATOM 0 HD23 LEU A 22 7.371 -0.992 0.038 1.00 4.20 H new ATOM 366 N GLU A 23 8.627 4.051 0.345 1.00 74.20 N ATOM 367 CA GLU A 23 8.439 5.515 0.482 1.00 62.12 C ATOM 368 C GLU A 23 7.537 6.057 -0.649 1.00 31.42 C ATOM 369 O GLU A 23 6.699 6.934 -0.414 1.00 52.11 O ATOM 370 CB GLU A 23 9.815 6.245 0.470 1.00 11.34 C ATOM 371 CG GLU A 23 9.758 7.764 0.793 1.00 12.02 C ATOM 372 CD GLU A 23 9.329 8.082 2.238 1.00 22.21 C ATOM 373 OE1 GLU A 23 9.918 7.508 3.185 1.00 71.34 O ATOM 374 OE2 GLU A 23 8.437 8.927 2.443 1.00 74.02 O ATOM 0 H GLU A 23 9.606 3.771 0.285 1.00 74.20 H new ATOM 0 HA GLU A 23 7.950 5.708 1.437 1.00 62.12 H new ATOM 0 HB2 GLU A 23 10.472 5.760 1.192 1.00 11.34 H new ATOM 0 HB3 GLU A 23 10.269 6.115 -0.512 1.00 11.34 H new ATOM 0 HG2 GLU A 23 10.740 8.200 0.612 1.00 12.02 H new ATOM 0 HG3 GLU A 23 9.064 8.246 0.104 1.00 12.02 H new ATOM 381 N ARG A 24 7.685 5.474 -1.862 1.00 62.30 N ATOM 382 CA ARG A 24 6.856 5.829 -3.040 1.00 22.25 C ATOM 383 C ARG A 24 5.362 5.539 -2.766 1.00 13.11 C ATOM 384 O ARG A 24 4.485 6.341 -3.114 1.00 0.44 O ATOM 385 CB ARG A 24 7.309 5.033 -4.293 1.00 21.13 C ATOM 386 CG ARG A 24 8.813 5.121 -4.628 1.00 52.44 C ATOM 387 CD ARG A 24 9.313 6.562 -4.861 1.00 42.43 C ATOM 388 NE ARG A 24 10.734 6.589 -5.247 1.00 10.02 N ATOM 389 CZ ARG A 24 11.509 7.684 -5.321 1.00 70.01 C ATOM 390 NH1 ARG A 24 11.031 8.895 -5.021 1.00 64.05 N ATOM 391 NH2 ARG A 24 12.767 7.552 -5.717 1.00 65.15 N ATOM 0 H ARG A 24 8.377 4.749 -2.052 1.00 62.30 H new ATOM 0 HA ARG A 24 6.987 6.895 -3.226 1.00 22.25 H new ATOM 0 HB2 ARG A 24 7.047 3.985 -4.150 1.00 21.13 H new ATOM 0 HB3 ARG A 24 6.742 5.389 -5.153 1.00 21.13 H new ATOM 0 HG2 ARG A 24 9.384 4.675 -3.814 1.00 52.44 H new ATOM 0 HG3 ARG A 24 9.013 4.528 -5.520 1.00 52.44 H new ATOM 0 HD2 ARG A 24 8.715 7.033 -5.641 1.00 42.43 H new ATOM 0 HD3 ARG A 24 9.171 7.148 -3.953 1.00 42.43 H new ATOM 0 HE ARG A 24 11.169 5.696 -5.479 1.00 10.02 H new ATOM 0 HH11 ARG A 24 10.060 9.002 -4.729 1.00 64.05 H new ATOM 0 HH12 ARG A 24 11.637 9.713 -5.084 1.00 64.05 H new ATOM 0 HH21 ARG A 24 13.131 6.631 -5.959 1.00 65.15 H new ATOM 0 HH22 ARG A 24 13.371 8.372 -5.779 1.00 65.15 H new ATOM 405 N LEU A 25 5.094 4.383 -2.112 1.00 22.11 N ATOM 406 CA LEU A 25 3.719 3.966 -1.774 1.00 34.05 C ATOM 407 C LEU A 25 3.171 4.824 -0.617 1.00 52.43 C ATOM 408 O LEU A 25 1.964 5.094 -0.580 1.00 11.33 O ATOM 409 CB LEU A 25 3.632 2.434 -1.450 1.00 71.53 C ATOM 410 CG LEU A 25 3.474 1.456 -2.674 1.00 45.33 C ATOM 411 CD1 LEU A 25 2.179 1.761 -3.472 1.00 34.21 C ATOM 412 CD2 LEU A 25 4.722 1.458 -3.596 1.00 44.43 C ATOM 0 H LEU A 25 5.814 3.726 -1.810 1.00 22.11 H new ATOM 0 HA LEU A 25 3.093 4.132 -2.651 1.00 34.05 H new ATOM 0 HB2 LEU A 25 4.532 2.151 -0.903 1.00 71.53 H new ATOM 0 HB3 LEU A 25 2.788 2.276 -0.778 1.00 71.53 H new ATOM 0 HG LEU A 25 3.388 0.449 -2.267 1.00 45.33 H new ATOM 0 HD11 LEU A 25 2.097 1.070 -4.311 1.00 34.21 H new ATOM 0 HD12 LEU A 25 1.314 1.644 -2.820 1.00 34.21 H new ATOM 0 HD13 LEU A 25 2.215 2.784 -3.847 1.00 34.21 H new ATOM 0 HD21 LEU A 25 4.563 0.768 -4.425 1.00 44.43 H new ATOM 0 HD22 LEU A 25 4.884 2.463 -3.986 1.00 44.43 H new ATOM 0 HD23 LEU A 25 5.596 1.145 -3.025 1.00 44.43 H new ATOM 424 N ARG A 26 4.070 5.271 0.299 1.00 50.40 N ATOM 425 CA ARG A 26 3.707 6.221 1.376 1.00 13.14 C ATOM 426 C ARG A 26 3.127 7.507 0.780 1.00 62.23 C ATOM 427 O ARG A 26 2.067 7.958 1.214 1.00 1.22 O ATOM 428 CB ARG A 26 4.916 6.580 2.312 1.00 35.53 C ATOM 429 CG ARG A 26 4.646 7.806 3.229 1.00 33.11 C ATOM 430 CD ARG A 26 5.732 8.102 4.273 1.00 52.45 C ATOM 431 NE ARG A 26 5.445 9.365 4.984 1.00 5.13 N ATOM 432 CZ ARG A 26 6.341 10.325 5.275 1.00 64.31 C ATOM 433 NH1 ARG A 26 7.614 10.196 4.930 1.00 34.55 N ATOM 434 NH2 ARG A 26 5.927 11.440 5.873 1.00 11.10 N ATOM 0 H ARG A 26 5.050 4.987 0.310 1.00 50.40 H new ATOM 0 HA ARG A 26 2.958 5.718 1.988 1.00 13.14 H new ATOM 0 HB2 ARG A 26 5.153 5.716 2.933 1.00 35.53 H new ATOM 0 HB3 ARG A 26 5.794 6.782 1.698 1.00 35.53 H new ATOM 0 HG2 ARG A 26 4.521 8.688 2.600 1.00 33.11 H new ATOM 0 HG3 ARG A 26 3.701 7.648 3.748 1.00 33.11 H new ATOM 0 HD2 ARG A 26 5.789 7.281 4.988 1.00 52.45 H new ATOM 0 HD3 ARG A 26 6.704 8.167 3.785 1.00 52.45 H new ATOM 0 HE ARG A 26 4.482 9.523 5.280 1.00 5.13 H new ATOM 0 HH11 ARG A 26 7.926 9.360 4.437 1.00 34.55 H new ATOM 0 HH12 ARG A 26 8.281 10.933 5.158 1.00 34.55 H new ATOM 0 HH21 ARG A 26 4.941 11.558 6.105 1.00 11.10 H new ATOM 0 HH22 ARG A 26 6.596 12.176 6.099 1.00 11.10 H new ATOM 448 N GLN A 27 3.808 8.052 -0.250 1.00 10.42 N ATOM 449 CA GLN A 27 3.401 9.318 -0.900 1.00 41.40 C ATOM 450 C GLN A 27 1.958 9.228 -1.453 1.00 45.21 C ATOM 451 O GLN A 27 1.231 10.230 -1.484 1.00 52.33 O ATOM 452 CB GLN A 27 4.379 9.702 -2.047 1.00 35.52 C ATOM 453 CG GLN A 27 5.881 9.702 -1.691 1.00 63.52 C ATOM 454 CD GLN A 27 6.214 10.454 -0.401 1.00 45.43 C ATOM 455 OE1 GLN A 27 6.421 11.666 -0.407 1.00 34.14 O ATOM 456 NE2 GLN A 27 6.332 9.728 0.699 1.00 61.21 N ATOM 0 H GLN A 27 4.647 7.633 -0.652 1.00 10.42 H new ATOM 0 HA GLN A 27 3.434 10.095 -0.136 1.00 41.40 H new ATOM 0 HB2 GLN A 27 4.223 9.011 -2.876 1.00 35.52 H new ATOM 0 HB3 GLN A 27 4.112 10.696 -2.406 1.00 35.52 H new ATOM 0 HG2 GLN A 27 6.222 8.671 -1.597 1.00 63.52 H new ATOM 0 HG3 GLN A 27 6.439 10.148 -2.514 1.00 63.52 H new ATOM 0 HE21 GLN A 27 6.153 8.724 0.669 1.00 61.21 H new ATOM 0 HE22 GLN A 27 6.602 10.172 1.577 1.00 61.21 H new ATOM 465 N LEU A 28 1.558 8.003 -1.862 1.00 43.15 N ATOM 466 CA LEU A 28 0.197 7.728 -2.356 1.00 51.23 C ATOM 467 C LEU A 28 -0.801 7.625 -1.188 1.00 41.01 C ATOM 468 O LEU A 28 -1.920 8.123 -1.276 1.00 34.41 O ATOM 469 CB LEU A 28 0.161 6.426 -3.195 1.00 15.01 C ATOM 470 CG LEU A 28 -1.220 6.093 -3.845 1.00 54.44 C ATOM 471 CD1 LEU A 28 -1.656 7.175 -4.861 1.00 34.22 C ATOM 472 CD2 LEU A 28 -1.213 4.689 -4.472 1.00 2.04 C ATOM 0 H LEU A 28 2.167 7.185 -1.858 1.00 43.15 H new ATOM 0 HA LEU A 28 -0.095 8.562 -2.995 1.00 51.23 H new ATOM 0 HB2 LEU A 28 0.908 6.501 -3.985 1.00 15.01 H new ATOM 0 HB3 LEU A 28 0.455 5.593 -2.557 1.00 15.01 H new ATOM 0 HG LEU A 28 -1.965 6.094 -3.049 1.00 54.44 H new ATOM 0 HD11 LEU A 28 -2.621 6.904 -5.289 1.00 34.22 H new ATOM 0 HD12 LEU A 28 -1.741 8.137 -4.355 1.00 34.22 H new ATOM 0 HD13 LEU A 28 -0.914 7.248 -5.656 1.00 34.22 H new ATOM 0 HD21 LEU A 28 -2.187 4.484 -4.917 1.00 2.04 H new ATOM 0 HD22 LEU A 28 -0.444 4.639 -5.243 1.00 2.04 H new ATOM 0 HD23 LEU A 28 -1.003 3.947 -3.701 1.00 2.04 H new ATOM 484 N PHE A 29 -0.383 6.979 -0.093 1.00 3.44 N ATOM 485 CA PHE A 29 -1.242 6.806 1.096 1.00 32.53 C ATOM 486 C PHE A 29 -1.509 8.162 1.779 1.00 55.21 C ATOM 487 O PHE A 29 -2.526 8.328 2.450 1.00 25.30 O ATOM 488 CB PHE A 29 -0.617 5.808 2.104 1.00 21.41 C ATOM 489 CG PHE A 29 -0.314 4.413 1.551 1.00 34.52 C ATOM 490 CD1 PHE A 29 -1.096 3.841 0.541 1.00 31.14 C ATOM 491 CD2 PHE A 29 0.769 3.677 2.039 1.00 32.33 C ATOM 492 CE1 PHE A 29 -0.804 2.584 0.047 1.00 11.31 C ATOM 493 CE2 PHE A 29 1.055 2.421 1.539 1.00 32.53 C ATOM 494 CZ PHE A 29 0.272 1.876 0.544 1.00 50.21 C ATOM 0 H PHE A 29 0.545 6.565 -0.001 1.00 3.44 H new ATOM 0 HA PHE A 29 -2.192 6.393 0.758 1.00 32.53 H new ATOM 0 HB2 PHE A 29 0.309 6.237 2.486 1.00 21.41 H new ATOM 0 HB3 PHE A 29 -1.294 5.704 2.952 1.00 21.41 H new ATOM 0 HD1 PHE A 29 -1.938 4.389 0.143 1.00 31.14 H new ATOM 0 HD2 PHE A 29 1.390 4.095 2.817 1.00 32.33 H new ATOM 0 HE1 PHE A 29 -1.419 2.154 -0.730 1.00 11.31 H new ATOM 0 HE2 PHE A 29 1.895 1.865 1.929 1.00 32.53 H new ATOM 0 HZ PHE A 29 0.500 0.895 0.153 1.00 50.21 H new ATOM 504 N GLU A 30 -0.573 9.117 1.585 1.00 13.50 N ATOM 505 CA GLU A 30 -0.698 10.506 2.071 1.00 44.32 C ATOM 506 C GLU A 30 -1.581 11.330 1.111 1.00 61.13 C ATOM 507 O GLU A 30 -2.382 12.164 1.552 1.00 54.33 O ATOM 508 CB GLU A 30 0.704 11.148 2.236 1.00 74.20 C ATOM 509 CG GLU A 30 1.618 10.383 3.217 1.00 20.00 C ATOM 510 CD GLU A 30 2.986 11.040 3.431 1.00 55.54 C ATOM 511 OE1 GLU A 30 3.259 11.539 4.553 1.00 43.43 O ATOM 512 OE2 GLU A 30 3.799 11.050 2.486 1.00 3.01 O ATOM 0 H GLU A 30 0.297 8.942 1.082 1.00 13.50 H new ATOM 0 HA GLU A 30 -1.180 10.497 3.049 1.00 44.32 H new ATOM 0 HB2 GLU A 30 1.190 11.197 1.262 1.00 74.20 H new ATOM 0 HB3 GLU A 30 0.587 12.174 2.585 1.00 74.20 H new ATOM 0 HG2 GLU A 30 1.112 10.298 4.179 1.00 20.00 H new ATOM 0 HG3 GLU A 30 1.767 9.369 2.845 1.00 20.00 H new ATOM 519 N GLU A 31 -1.432 11.051 -0.198 1.00 14.31 N ATOM 520 CA GLU A 31 -2.312 11.576 -1.274 1.00 13.12 C ATOM 521 C GLU A 31 -3.787 11.245 -0.978 1.00 11.32 C ATOM 522 O GLU A 31 -4.682 12.006 -1.293 1.00 20.32 O ATOM 523 CB GLU A 31 -1.867 10.957 -2.634 1.00 1.41 C ATOM 524 CG GLU A 31 -2.769 11.238 -3.861 1.00 31.55 C ATOM 525 CD GLU A 31 -2.829 12.708 -4.298 1.00 14.22 C ATOM 526 OE1 GLU A 31 -1.757 13.324 -4.487 1.00 11.45 O ATOM 527 OE2 GLU A 31 -3.942 13.237 -4.523 1.00 12.42 O ATOM 0 H GLU A 31 -0.689 10.447 -0.549 1.00 14.31 H new ATOM 0 HA GLU A 31 -2.222 12.661 -1.323 1.00 13.12 H new ATOM 0 HB2 GLU A 31 -0.864 11.320 -2.860 1.00 1.41 H new ATOM 0 HB3 GLU A 31 -1.794 9.877 -2.507 1.00 1.41 H new ATOM 0 HG2 GLU A 31 -2.413 10.639 -4.700 1.00 31.55 H new ATOM 0 HG3 GLU A 31 -3.780 10.900 -3.635 1.00 31.55 H new ATOM 534 N LEU A 32 -4.014 10.086 -0.367 1.00 32.33 N ATOM 535 CA LEU A 32 -5.356 9.613 0.012 1.00 63.52 C ATOM 536 C LEU A 32 -5.739 10.082 1.434 1.00 52.41 C ATOM 537 O LEU A 32 -6.910 10.364 1.711 1.00 64.12 O ATOM 538 CB LEU A 32 -5.374 8.078 -0.150 1.00 72.14 C ATOM 539 CG LEU A 32 -5.005 7.598 -1.593 1.00 31.41 C ATOM 540 CD1 LEU A 32 -4.765 6.077 -1.656 1.00 55.35 C ATOM 541 CD2 LEU A 32 -6.060 8.073 -2.618 1.00 62.05 C ATOM 0 H LEU A 32 -3.269 9.437 -0.115 1.00 32.33 H new ATOM 0 HA LEU A 32 -6.117 10.044 -0.639 1.00 63.52 H new ATOM 0 HB2 LEU A 32 -4.675 7.637 0.561 1.00 72.14 H new ATOM 0 HB3 LEU A 32 -6.366 7.705 0.106 1.00 72.14 H new ATOM 0 HG LEU A 32 -4.057 8.062 -1.864 1.00 31.41 H new ATOM 0 HD11 LEU A 32 -4.512 5.791 -2.677 1.00 55.35 H new ATOM 0 HD12 LEU A 32 -3.944 5.810 -0.990 1.00 55.35 H new ATOM 0 HD13 LEU A 32 -5.669 5.553 -1.346 1.00 55.35 H new ATOM 0 HD21 LEU A 32 -5.782 7.727 -3.613 1.00 62.05 H new ATOM 0 HD22 LEU A 32 -7.035 7.665 -2.352 1.00 62.05 H new ATOM 0 HD23 LEU A 32 -6.108 9.162 -2.613 1.00 62.05 H new ATOM 553 N HIS A 33 -4.724 10.203 2.310 1.00 73.45 N ATOM 554 CA HIS A 33 -4.887 10.661 3.717 1.00 21.30 C ATOM 555 C HIS A 33 -5.452 12.100 3.790 1.00 34.22 C ATOM 556 O HIS A 33 -6.166 12.432 4.746 1.00 42.20 O ATOM 557 CB HIS A 33 -3.523 10.554 4.462 1.00 45.22 C ATOM 558 CG HIS A 33 -3.480 11.097 5.868 1.00 1.13 C ATOM 559 ND1 HIS A 33 -2.405 11.806 6.349 1.00 52.54 N ATOM 560 CD2 HIS A 33 -4.361 11.016 6.898 1.00 74.12 C ATOM 561 CE1 HIS A 33 -2.619 12.132 7.605 1.00 23.22 C ATOM 562 NE2 HIS A 33 -3.799 11.669 7.964 1.00 12.21 N ATOM 0 H HIS A 33 -3.758 9.986 2.067 1.00 73.45 H new ATOM 0 HA HIS A 33 -5.613 10.013 4.208 1.00 21.30 H new ATOM 0 HB2 HIS A 33 -3.233 9.504 4.493 1.00 45.22 H new ATOM 0 HB3 HIS A 33 -2.770 11.076 3.872 1.00 45.22 H new ATOM 0 HD2 HIS A 33 -5.324 10.528 6.881 1.00 74.12 H new ATOM 0 HE1 HIS A 33 -1.941 12.687 8.237 1.00 23.22 H new ATOM 0 HE2 HIS A 33 -4.225 11.779 8.884 1.00 12.21 H new ATOM 571 N GLU A 34 -5.163 12.933 2.764 1.00 64.14 N ATOM 572 CA GLU A 34 -5.628 14.341 2.721 1.00 3.15 C ATOM 573 C GLU A 34 -7.172 14.445 2.616 1.00 3.01 C ATOM 574 O GLU A 34 -7.751 15.478 2.976 1.00 73.23 O ATOM 575 CB GLU A 34 -4.947 15.115 1.562 1.00 33.42 C ATOM 576 CG GLU A 34 -5.354 14.648 0.152 1.00 32.13 C ATOM 577 CD GLU A 34 -4.653 15.414 -0.984 1.00 13.20 C ATOM 578 OE1 GLU A 34 -3.493 15.083 -1.312 1.00 73.10 O ATOM 579 OE2 GLU A 34 -5.255 16.362 -1.541 1.00 60.34 O ATOM 0 H GLU A 34 -4.610 12.655 1.954 1.00 64.14 H new ATOM 0 HA GLU A 34 -5.336 14.801 3.665 1.00 3.15 H new ATOM 0 HB2 GLU A 34 -5.184 16.174 1.662 1.00 33.42 H new ATOM 0 HB3 GLU A 34 -3.866 15.019 1.664 1.00 33.42 H new ATOM 0 HG2 GLU A 34 -5.131 13.586 0.053 1.00 32.13 H new ATOM 0 HG3 GLU A 34 -6.433 14.759 0.040 1.00 32.13 H new ATOM 586 N ARG A 35 -7.837 13.371 2.125 1.00 50.21 N ATOM 587 CA ARG A 35 -9.320 13.268 2.156 1.00 73.54 C ATOM 588 C ARG A 35 -9.758 12.250 3.225 1.00 34.44 C ATOM 589 O ARG A 35 -10.904 12.279 3.676 1.00 30.45 O ATOM 590 CB ARG A 35 -9.948 12.934 0.763 1.00 30.41 C ATOM 591 CG ARG A 35 -9.350 11.739 -0.027 1.00 64.31 C ATOM 592 CD ARG A 35 -8.096 12.099 -0.849 1.00 24.41 C ATOM 593 NE ARG A 35 -8.346 13.200 -1.805 1.00 21.40 N ATOM 594 CZ ARG A 35 -7.552 13.532 -2.850 1.00 64.01 C ATOM 595 NH1 ARG A 35 -6.432 12.854 -3.117 1.00 51.01 N ATOM 596 NH2 ARG A 35 -7.876 14.569 -3.609 1.00 34.12 N ATOM 0 H ARG A 35 -7.374 12.566 1.704 1.00 50.21 H new ATOM 0 HA ARG A 35 -9.701 14.254 2.422 1.00 73.54 H new ATOM 0 HB2 ARG A 35 -11.010 12.741 0.911 1.00 30.41 H new ATOM 0 HB3 ARG A 35 -9.870 13.823 0.137 1.00 30.41 H new ATOM 0 HG2 ARG A 35 -9.097 10.943 0.673 1.00 64.31 H new ATOM 0 HG3 ARG A 35 -10.111 11.343 -0.699 1.00 64.31 H new ATOM 0 HD2 ARG A 35 -7.291 12.385 -0.172 1.00 24.41 H new ATOM 0 HD3 ARG A 35 -7.757 11.218 -1.394 1.00 24.41 H new ATOM 0 HE ARG A 35 -9.189 13.757 -1.665 1.00 21.40 H new ATOM 0 HH11 ARG A 35 -6.159 12.067 -2.528 1.00 51.01 H new ATOM 0 HH12 ARG A 35 -5.850 13.123 -3.910 1.00 51.01 H new ATOM 0 HH21 ARG A 35 -8.717 15.109 -3.403 1.00 34.12 H new ATOM 0 HH22 ARG A 35 -7.285 14.828 -4.399 1.00 34.12 H new ATOM 610 N GLY A 36 -8.825 11.366 3.622 1.00 4.31 N ATOM 611 CA GLY A 36 -9.051 10.380 4.688 1.00 45.20 C ATOM 612 C GLY A 36 -10.114 9.337 4.349 1.00 11.24 C ATOM 613 O GLY A 36 -10.798 8.827 5.237 1.00 31.32 O ATOM 0 H GLY A 36 -7.893 11.317 3.211 1.00 4.31 H new ATOM 0 HA2 GLY A 36 -8.112 9.871 4.904 1.00 45.20 H new ATOM 0 HA3 GLY A 36 -9.346 10.903 5.597 1.00 45.20 H new ATOM 617 N THR A 37 -10.261 9.032 3.050 1.00 4.21 N ATOM 618 CA THR A 37 -11.258 8.062 2.560 1.00 5.55 C ATOM 619 C THR A 37 -10.709 6.624 2.688 1.00 4.52 C ATOM 620 O THR A 37 -9.531 6.436 3.025 1.00 24.04 O ATOM 621 CB THR A 37 -11.670 8.377 1.081 1.00 62.51 C ATOM 622 OG1 THR A 37 -12.764 7.540 0.686 1.00 61.00 O ATOM 623 CG2 THR A 37 -10.518 8.209 0.073 1.00 50.20 C ATOM 0 H THR A 37 -9.695 9.448 2.311 1.00 4.21 H new ATOM 0 HA THR A 37 -12.153 8.146 3.176 1.00 5.55 H new ATOM 0 HB THR A 37 -11.961 9.427 1.065 1.00 62.51 H new ATOM 0 HG1 THR A 37 -13.016 7.745 -0.239 1.00 61.00 H new ATOM 0 HG21 THR A 37 -10.875 8.443 -0.930 1.00 50.20 H new ATOM 0 HG22 THR A 37 -9.704 8.884 0.335 1.00 50.20 H new ATOM 0 HG23 THR A 37 -10.159 7.180 0.099 1.00 50.20 H new ATOM 631 N GLU A 38 -11.570 5.617 2.423 1.00 73.20 N ATOM 632 CA GLU A 38 -11.180 4.198 2.517 1.00 3.02 C ATOM 633 C GLU A 38 -10.129 3.838 1.435 1.00 60.43 C ATOM 634 O GLU A 38 -10.359 3.977 0.232 1.00 14.14 O ATOM 635 CB GLU A 38 -12.416 3.257 2.436 1.00 41.41 C ATOM 636 CG GLU A 38 -13.257 3.378 1.150 1.00 52.05 C ATOM 637 CD GLU A 38 -14.334 2.287 1.040 1.00 73.32 C ATOM 638 OE1 GLU A 38 -13.973 1.110 0.817 1.00 31.05 O ATOM 639 OE2 GLU A 38 -15.539 2.595 1.183 1.00 24.03 O ATOM 0 H GLU A 38 -12.540 5.764 2.142 1.00 73.20 H new ATOM 0 HA GLU A 38 -10.722 4.048 3.495 1.00 3.02 H new ATOM 0 HB2 GLU A 38 -12.073 2.227 2.530 1.00 41.41 H new ATOM 0 HB3 GLU A 38 -13.061 3.458 3.292 1.00 41.41 H new ATOM 0 HG2 GLU A 38 -13.734 4.358 1.124 1.00 52.05 H new ATOM 0 HG3 GLU A 38 -12.598 3.321 0.283 1.00 52.05 H new ATOM 646 N ILE A 39 -8.951 3.443 1.914 1.00 22.24 N ATOM 647 CA ILE A 39 -7.823 2.996 1.094 1.00 43.53 C ATOM 648 C ILE A 39 -7.770 1.455 1.148 1.00 41.02 C ATOM 649 O ILE A 39 -7.427 0.879 2.187 1.00 33.32 O ATOM 650 CB ILE A 39 -6.468 3.589 1.656 1.00 23.22 C ATOM 651 CG1 ILE A 39 -6.583 5.127 1.915 1.00 40.41 C ATOM 652 CG2 ILE A 39 -5.282 3.278 0.716 1.00 3.10 C ATOM 653 CD1 ILE A 39 -5.401 5.738 2.652 1.00 14.32 C ATOM 0 H ILE A 39 -8.747 3.424 2.913 1.00 22.24 H new ATOM 0 HA ILE A 39 -7.953 3.340 0.068 1.00 43.53 H new ATOM 0 HB ILE A 39 -6.274 3.101 2.611 1.00 23.22 H new ATOM 0 HG12 ILE A 39 -6.699 5.635 0.958 1.00 40.41 H new ATOM 0 HG13 ILE A 39 -7.490 5.318 2.489 1.00 40.41 H new ATOM 0 HG21 ILE A 39 -4.367 3.700 1.132 1.00 3.10 H new ATOM 0 HG22 ILE A 39 -5.171 2.198 0.616 1.00 3.10 H new ATOM 0 HG23 ILE A 39 -5.470 3.716 -0.264 1.00 3.10 H new ATOM 0 HD11 ILE A 39 -5.569 6.807 2.786 1.00 14.32 H new ATOM 0 HD12 ILE A 39 -5.294 5.262 3.627 1.00 14.32 H new ATOM 0 HD13 ILE A 39 -4.491 5.584 2.072 1.00 14.32 H new ATOM 665 N VAL A 40 -8.133 0.800 0.038 1.00 25.22 N ATOM 666 CA VAL A 40 -8.096 -0.665 -0.078 1.00 72.45 C ATOM 667 C VAL A 40 -6.841 -1.054 -0.879 1.00 23.14 C ATOM 668 O VAL A 40 -6.811 -0.933 -2.105 1.00 74.13 O ATOM 669 CB VAL A 40 -9.403 -1.221 -0.777 1.00 64.23 C ATOM 670 CG1 VAL A 40 -9.402 -2.770 -0.826 1.00 2.30 C ATOM 671 CG2 VAL A 40 -10.680 -0.670 -0.087 1.00 1.14 C ATOM 0 H VAL A 40 -8.461 1.270 -0.806 1.00 25.22 H new ATOM 0 HA VAL A 40 -8.056 -1.107 0.917 1.00 72.45 H new ATOM 0 HB VAL A 40 -9.408 -0.867 -1.808 1.00 64.23 H new ATOM 0 HG11 VAL A 40 -10.313 -3.119 -1.312 1.00 2.30 H new ATOM 0 HG12 VAL A 40 -8.535 -3.116 -1.389 1.00 2.30 H new ATOM 0 HG13 VAL A 40 -9.357 -3.166 0.189 1.00 2.30 H new ATOM 0 HG21 VAL A 40 -11.564 -1.067 -0.586 1.00 1.14 H new ATOM 0 HG22 VAL A 40 -10.688 -0.973 0.960 1.00 1.14 H new ATOM 0 HG23 VAL A 40 -10.686 0.418 -0.149 1.00 1.14 H new ATOM 681 N VAL A 41 -5.812 -1.500 -0.159 1.00 24.23 N ATOM 682 CA VAL A 41 -4.524 -1.914 -0.732 1.00 22.21 C ATOM 683 C VAL A 41 -4.457 -3.440 -0.716 1.00 55.44 C ATOM 684 O VAL A 41 -4.868 -4.054 0.265 1.00 62.14 O ATOM 685 CB VAL A 41 -3.324 -1.326 0.109 1.00 50.24 C ATOM 686 CG1 VAL A 41 -1.949 -1.720 -0.476 1.00 12.41 C ATOM 687 CG2 VAL A 41 -3.445 0.205 0.243 1.00 22.04 C ATOM 0 H VAL A 41 -5.847 -1.587 0.857 1.00 24.23 H new ATOM 0 HA VAL A 41 -4.444 -1.537 -1.752 1.00 22.21 H new ATOM 0 HB VAL A 41 -3.386 -1.767 1.104 1.00 50.24 H new ATOM 0 HG11 VAL A 41 -1.156 -1.292 0.137 1.00 12.41 H new ATOM 0 HG12 VAL A 41 -1.855 -2.806 -0.484 1.00 12.41 H new ATOM 0 HG13 VAL A 41 -1.865 -1.341 -1.494 1.00 12.41 H new ATOM 0 HG21 VAL A 41 -2.607 0.587 0.826 1.00 22.04 H new ATOM 0 HG22 VAL A 41 -3.434 0.659 -0.748 1.00 22.04 H new ATOM 0 HG23 VAL A 41 -4.380 0.454 0.745 1.00 22.04 H new ATOM 697 N GLU A 42 -3.942 -4.046 -1.791 1.00 24.12 N ATOM 698 CA GLU A 42 -3.724 -5.490 -1.838 1.00 34.13 C ATOM 699 C GLU A 42 -2.355 -5.791 -2.448 1.00 32.21 C ATOM 700 O GLU A 42 -1.994 -5.244 -3.492 1.00 71.31 O ATOM 701 CB GLU A 42 -4.857 -6.214 -2.615 1.00 22.00 C ATOM 702 CG GLU A 42 -4.702 -7.754 -2.665 1.00 33.42 C ATOM 703 CD GLU A 42 -5.910 -8.492 -3.257 1.00 13.50 C ATOM 704 OE1 GLU A 42 -6.401 -9.464 -2.650 1.00 21.55 O ATOM 705 OE2 GLU A 42 -6.371 -8.113 -4.352 1.00 4.45 O ATOM 0 H GLU A 42 -3.668 -3.554 -2.642 1.00 24.12 H new ATOM 0 HA GLU A 42 -3.744 -5.873 -0.818 1.00 34.13 H new ATOM 0 HB2 GLU A 42 -5.814 -5.970 -2.153 1.00 22.00 H new ATOM 0 HB3 GLU A 42 -4.888 -5.829 -3.634 1.00 22.00 H new ATOM 0 HG2 GLU A 42 -3.817 -7.999 -3.253 1.00 33.42 H new ATOM 0 HG3 GLU A 42 -4.526 -8.123 -1.654 1.00 33.42 H new ATOM 712 N VAL A 43 -1.618 -6.678 -1.774 1.00 62.31 N ATOM 713 CA VAL A 43 -0.317 -7.176 -2.222 1.00 71.53 C ATOM 714 C VAL A 43 -0.552 -8.387 -3.143 1.00 53.41 C ATOM 715 O VAL A 43 -1.412 -9.203 -2.845 1.00 31.34 O ATOM 716 CB VAL A 43 0.544 -7.626 -0.977 1.00 21.44 C ATOM 717 CG1 VAL A 43 1.926 -8.164 -1.409 1.00 72.23 C ATOM 718 CG2 VAL A 43 0.669 -6.483 0.067 1.00 33.25 C ATOM 0 H VAL A 43 -1.916 -7.077 -0.884 1.00 62.31 H new ATOM 0 HA VAL A 43 0.217 -6.390 -2.756 1.00 71.53 H new ATOM 0 HB VAL A 43 0.018 -8.449 -0.493 1.00 21.44 H new ATOM 0 HG11 VAL A 43 2.491 -8.464 -0.527 1.00 72.23 H new ATOM 0 HG12 VAL A 43 1.793 -9.024 -2.065 1.00 72.23 H new ATOM 0 HG13 VAL A 43 2.470 -7.383 -1.940 1.00 72.23 H new ATOM 0 HG21 VAL A 43 1.267 -6.825 0.911 1.00 33.25 H new ATOM 0 HG22 VAL A 43 1.151 -5.621 -0.394 1.00 33.25 H new ATOM 0 HG23 VAL A 43 -0.324 -6.200 0.417 1.00 33.25 H new ATOM 728 N HIS A 44 0.184 -8.464 -4.260 1.00 0.33 N ATOM 729 CA HIS A 44 0.132 -9.587 -5.219 1.00 11.51 C ATOM 730 C HIS A 44 1.569 -10.035 -5.548 1.00 52.43 C ATOM 731 O HIS A 44 2.288 -9.341 -6.285 1.00 52.42 O ATOM 732 CB HIS A 44 -0.615 -9.174 -6.530 1.00 3.55 C ATOM 733 CG HIS A 44 -2.120 -9.128 -6.425 1.00 54.03 C ATOM 734 ND1 HIS A 44 -2.917 -8.361 -7.249 1.00 12.51 N ATOM 735 CD2 HIS A 44 -2.971 -9.807 -5.628 1.00 41.12 C ATOM 736 CE1 HIS A 44 -4.184 -8.579 -6.959 1.00 53.55 C ATOM 737 NE2 HIS A 44 -4.244 -9.449 -5.975 1.00 22.42 N ATOM 0 H HIS A 44 0.846 -7.737 -4.532 1.00 0.33 H new ATOM 0 HA HIS A 44 -0.419 -10.411 -4.766 1.00 11.51 H new ATOM 0 HB2 HIS A 44 -0.258 -8.191 -6.838 1.00 3.55 H new ATOM 0 HB3 HIS A 44 -0.343 -9.874 -7.320 1.00 3.55 H new ATOM 0 HD1 HIS A 44 -2.579 -7.724 -7.970 1.00 12.51 H new ATOM 0 HD2 HIS A 44 -2.696 -10.508 -4.854 1.00 41.12 H new ATOM 0 HE1 HIS A 44 -5.031 -8.120 -7.448 1.00 53.55 H new ATOM 746 N ILE A 45 1.997 -11.161 -4.942 1.00 34.10 N ATOM 747 CA ILE A 45 3.293 -11.808 -5.234 1.00 55.01 C ATOM 748 C ILE A 45 3.069 -13.316 -5.404 1.00 0.44 C ATOM 749 O ILE A 45 2.898 -14.031 -4.413 1.00 33.04 O ATOM 750 CB ILE A 45 4.372 -11.542 -4.106 1.00 44.13 C ATOM 751 CG1 ILE A 45 4.618 -10.007 -3.919 1.00 5.23 C ATOM 752 CG2 ILE A 45 5.705 -12.283 -4.414 1.00 12.11 C ATOM 753 CD1 ILE A 45 5.665 -9.651 -2.880 1.00 31.52 C ATOM 0 H ILE A 45 1.451 -11.650 -4.233 1.00 34.10 H new ATOM 0 HA ILE A 45 3.686 -11.374 -6.153 1.00 55.01 H new ATOM 0 HB ILE A 45 3.979 -11.940 -3.170 1.00 44.13 H new ATOM 0 HG12 ILE A 45 4.918 -9.582 -4.877 1.00 5.23 H new ATOM 0 HG13 ILE A 45 3.676 -9.534 -3.642 1.00 5.23 H new ATOM 0 HG21 ILE A 45 6.425 -12.081 -3.621 1.00 12.11 H new ATOM 0 HG22 ILE A 45 5.520 -13.356 -4.471 1.00 12.11 H new ATOM 0 HG23 ILE A 45 6.105 -11.933 -5.366 1.00 12.11 H new ATOM 0 HD11 ILE A 45 5.766 -8.567 -2.821 1.00 31.52 H new ATOM 0 HD12 ILE A 45 5.361 -10.040 -1.908 1.00 31.52 H new ATOM 0 HD13 ILE A 45 6.622 -10.090 -3.163 1.00 31.52 H new ATOM 765 N ASN A 46 3.017 -13.748 -6.684 1.00 73.51 N ATOM 766 CA ASN A 46 2.934 -15.165 -7.112 1.00 72.42 C ATOM 767 C ASN A 46 1.541 -15.755 -6.817 1.00 74.45 C ATOM 768 O ASN A 46 0.741 -15.981 -7.728 1.00 23.14 O ATOM 769 CB ASN A 46 4.089 -16.033 -6.508 1.00 42.14 C ATOM 770 CG ASN A 46 5.503 -15.680 -7.023 1.00 21.35 C ATOM 771 OD1 ASN A 46 6.379 -16.539 -7.060 1.00 33.42 O ATOM 772 ND2 ASN A 46 5.738 -14.428 -7.432 1.00 71.54 N ATOM 0 H ASN A 46 3.032 -13.101 -7.473 1.00 73.51 H new ATOM 0 HA ASN A 46 3.072 -15.188 -8.193 1.00 72.42 H new ATOM 0 HB2 ASN A 46 4.076 -15.926 -5.423 1.00 42.14 H new ATOM 0 HB3 ASN A 46 3.889 -17.082 -6.727 1.00 42.14 H new ATOM 0 HD21 ASN A 46 6.660 -14.171 -7.784 1.00 71.54 H new ATOM 0 HD22 ASN A 46 4.995 -13.731 -7.392 1.00 71.54 H new ATOM 779 N GLY A 47 1.274 -15.969 -5.534 1.00 43.23 N ATOM 780 CA GLY A 47 -0.001 -16.509 -5.041 1.00 14.25 C ATOM 781 C GLY A 47 -0.461 -15.786 -3.787 1.00 44.34 C ATOM 782 O GLY A 47 -1.647 -15.828 -3.447 1.00 22.21 O ATOM 0 H GLY A 47 1.943 -15.771 -4.790 1.00 43.23 H new ATOM 0 HA2 GLY A 47 -0.761 -16.416 -5.816 1.00 14.25 H new ATOM 0 HA3 GLY A 47 0.110 -17.573 -4.830 1.00 14.25 H new ATOM 786 N GLU A 48 0.478 -15.081 -3.122 1.00 41.42 N ATOM 787 CA GLU A 48 0.212 -14.367 -1.878 1.00 62.00 C ATOM 788 C GLU A 48 -0.512 -13.060 -2.186 1.00 51.40 C ATOM 789 O GLU A 48 0.072 -12.126 -2.752 1.00 52.31 O ATOM 790 CB GLU A 48 1.545 -14.080 -1.124 1.00 63.32 C ATOM 791 CG GLU A 48 2.291 -15.347 -0.684 1.00 62.33 C ATOM 792 CD GLU A 48 1.430 -16.258 0.210 1.00 71.35 C ATOM 793 OE1 GLU A 48 0.956 -17.315 -0.260 1.00 31.34 O ATOM 794 OE2 GLU A 48 1.197 -15.902 1.389 1.00 33.14 O ATOM 0 H GLU A 48 1.443 -14.997 -3.443 1.00 41.42 H new ATOM 0 HA GLU A 48 -0.419 -14.985 -1.239 1.00 62.00 H new ATOM 0 HB2 GLU A 48 2.197 -13.491 -1.769 1.00 63.32 H new ATOM 0 HB3 GLU A 48 1.331 -13.471 -0.245 1.00 63.32 H new ATOM 0 HG2 GLU A 48 2.607 -15.903 -1.566 1.00 62.33 H new ATOM 0 HG3 GLU A 48 3.195 -15.064 -0.145 1.00 62.33 H new ATOM 801 N ARG A 49 -1.799 -13.026 -1.827 1.00 74.14 N ATOM 802 CA ARG A 49 -2.638 -11.845 -1.983 1.00 22.13 C ATOM 803 C ARG A 49 -3.176 -11.419 -0.616 1.00 43.13 C ATOM 804 O ARG A 49 -3.899 -12.169 0.051 1.00 55.41 O ATOM 805 CB ARG A 49 -3.755 -12.068 -3.034 1.00 72.44 C ATOM 806 CG ARG A 49 -4.722 -13.245 -2.792 1.00 72.52 C ATOM 807 CD ARG A 49 -5.751 -13.369 -3.935 1.00 1.34 C ATOM 808 NE ARG A 49 -6.440 -12.089 -4.185 1.00 0.50 N ATOM 809 CZ ARG A 49 -6.963 -11.696 -5.359 1.00 3.40 C ATOM 810 NH1 ARG A 49 -6.909 -12.475 -6.441 1.00 50.02 N ATOM 811 NH2 ARG A 49 -7.503 -10.496 -5.452 1.00 32.03 N ATOM 0 H ARG A 49 -2.286 -13.824 -1.418 1.00 74.14 H new ATOM 0 HA ARG A 49 -2.036 -11.025 -2.374 1.00 22.13 H new ATOM 0 HB2 ARG A 49 -4.345 -11.154 -3.100 1.00 72.44 H new ATOM 0 HB3 ARG A 49 -3.282 -12.213 -4.005 1.00 72.44 H new ATOM 0 HG2 ARG A 49 -4.156 -14.172 -2.708 1.00 72.52 H new ATOM 0 HG3 ARG A 49 -5.243 -13.102 -1.845 1.00 72.52 H new ATOM 0 HD2 ARG A 49 -5.248 -13.696 -4.845 1.00 1.34 H new ATOM 0 HD3 ARG A 49 -6.485 -14.135 -3.684 1.00 1.34 H new ATOM 0 HE ARG A 49 -6.527 -11.446 -3.398 1.00 0.50 H new ATOM 0 HH11 ARG A 49 -6.464 -13.391 -6.388 1.00 50.02 H new ATOM 0 HH12 ARG A 49 -7.313 -12.154 -7.321 1.00 50.02 H new ATOM 0 HH21 ARG A 49 -7.520 -9.880 -4.639 1.00 32.03 H new ATOM 0 HH22 ARG A 49 -7.904 -10.184 -6.337 1.00 32.03 H new ATOM 825 N ASP A 50 -2.746 -10.224 -0.183 1.00 21.33 N ATOM 826 CA ASP A 50 -3.065 -9.686 1.152 1.00 34.13 C ATOM 827 C ASP A 50 -3.905 -8.420 1.001 1.00 4.24 C ATOM 828 O ASP A 50 -3.390 -7.398 0.569 1.00 25.34 O ATOM 829 CB ASP A 50 -1.740 -9.366 1.901 1.00 72.54 C ATOM 830 CG ASP A 50 -1.940 -8.812 3.329 1.00 33.52 C ATOM 831 OD1 ASP A 50 -1.283 -7.814 3.687 1.00 74.42 O ATOM 832 OD2 ASP A 50 -2.756 -9.374 4.098 1.00 55.34 O ATOM 0 H ASP A 50 -2.167 -9.602 -0.747 1.00 21.33 H new ATOM 0 HA ASP A 50 -3.632 -10.420 1.725 1.00 34.13 H new ATOM 0 HB2 ASP A 50 -1.138 -10.273 1.956 1.00 72.54 H new ATOM 0 HB3 ASP A 50 -1.172 -8.641 1.318 1.00 72.54 H new ATOM 837 N GLU A 51 -5.184 -8.497 1.393 1.00 33.44 N ATOM 838 CA GLU A 51 -6.120 -7.361 1.311 1.00 71.32 C ATOM 839 C GLU A 51 -6.099 -6.595 2.643 1.00 1.35 C ATOM 840 O GLU A 51 -6.189 -7.197 3.724 1.00 31.33 O ATOM 841 CB GLU A 51 -7.568 -7.828 0.997 1.00 30.14 C ATOM 842 CG GLU A 51 -8.555 -6.660 0.725 1.00 13.04 C ATOM 843 CD GLU A 51 -10.033 -7.060 0.866 1.00 33.41 C ATOM 844 OE1 GLU A 51 -10.669 -6.678 1.877 1.00 21.43 O ATOM 845 OE2 GLU A 51 -10.566 -7.765 -0.019 1.00 52.54 O ATOM 0 H GLU A 51 -5.601 -9.346 1.776 1.00 33.44 H new ATOM 0 HA GLU A 51 -5.799 -6.713 0.496 1.00 71.32 H new ATOM 0 HB2 GLU A 51 -7.548 -8.485 0.128 1.00 30.14 H new ATOM 0 HB3 GLU A 51 -7.940 -8.419 1.834 1.00 30.14 H new ATOM 0 HG2 GLU A 51 -8.340 -5.845 1.416 1.00 13.04 H new ATOM 0 HG3 GLU A 51 -8.385 -6.278 -0.282 1.00 13.04 H new ATOM 852 N ILE A 52 -5.983 -5.266 2.546 1.00 20.42 N ATOM 853 CA ILE A 52 -5.822 -4.360 3.691 1.00 53.31 C ATOM 854 C ILE A 52 -6.738 -3.141 3.455 1.00 71.22 C ATOM 855 O ILE A 52 -6.749 -2.601 2.348 1.00 20.11 O ATOM 856 CB ILE A 52 -4.313 -3.844 3.821 1.00 11.53 C ATOM 857 CG1 ILE A 52 -3.265 -4.907 3.311 1.00 73.12 C ATOM 858 CG2 ILE A 52 -4.015 -3.425 5.287 1.00 70.21 C ATOM 859 CD1 ILE A 52 -1.898 -4.331 2.959 1.00 51.03 C ATOM 0 H ILE A 52 -5.999 -4.779 1.650 1.00 20.42 H new ATOM 0 HA ILE A 52 -6.080 -4.893 4.606 1.00 53.31 H new ATOM 0 HB ILE A 52 -4.209 -2.973 3.175 1.00 11.53 H new ATOM 0 HG12 ILE A 52 -3.137 -5.669 4.080 1.00 73.12 H new ATOM 0 HG13 ILE A 52 -3.672 -5.406 2.432 1.00 73.12 H new ATOM 0 HG21 ILE A 52 -2.985 -3.076 5.363 1.00 70.21 H new ATOM 0 HG22 ILE A 52 -4.693 -2.624 5.581 1.00 70.21 H new ATOM 0 HG23 ILE A 52 -4.157 -4.281 5.946 1.00 70.21 H new ATOM 0 HD11 ILE A 52 -1.242 -5.132 2.618 1.00 51.03 H new ATOM 0 HD12 ILE A 52 -2.008 -3.591 2.167 1.00 51.03 H new ATOM 0 HD13 ILE A 52 -1.465 -3.858 3.840 1.00 51.03 H new ATOM 871 N ARG A 53 -7.504 -2.712 4.471 1.00 31.22 N ATOM 872 CA ARG A 53 -8.369 -1.510 4.370 1.00 64.51 C ATOM 873 C ARG A 53 -8.079 -0.554 5.548 1.00 11.50 C ATOM 874 O ARG A 53 -8.362 -0.873 6.707 1.00 24.44 O ATOM 875 CB ARG A 53 -9.879 -1.905 4.333 1.00 11.33 C ATOM 876 CG ARG A 53 -10.270 -2.833 3.155 1.00 64.21 C ATOM 877 CD ARG A 53 -11.781 -3.147 3.113 1.00 72.34 C ATOM 878 NE ARG A 53 -12.599 -1.932 2.878 1.00 21.24 N ATOM 879 CZ ARG A 53 -13.556 -1.458 3.704 1.00 35.20 C ATOM 880 NH1 ARG A 53 -13.849 -2.079 4.846 1.00 74.53 N ATOM 881 NH2 ARG A 53 -14.225 -0.359 3.374 1.00 53.30 N ATOM 0 H ARG A 53 -7.546 -3.177 5.378 1.00 31.22 H new ATOM 0 HA ARG A 53 -8.141 -0.996 3.436 1.00 64.51 H new ATOM 0 HB2 ARG A 53 -10.136 -2.400 5.270 1.00 11.33 H new ATOM 0 HB3 ARG A 53 -10.478 -0.996 4.278 1.00 11.33 H new ATOM 0 HG2 ARG A 53 -9.975 -2.364 2.216 1.00 64.21 H new ATOM 0 HG3 ARG A 53 -9.712 -3.766 3.234 1.00 64.21 H new ATOM 0 HD2 ARG A 53 -11.978 -3.874 2.325 1.00 72.34 H new ATOM 0 HD3 ARG A 53 -12.081 -3.609 4.054 1.00 72.34 H new ATOM 0 HE ARG A 53 -12.424 -1.410 2.019 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -13.347 -2.927 5.109 1.00 74.53 H new ATOM 0 HH12 ARG A 53 -14.575 -1.706 5.458 1.00 74.53 H new ATOM 0 HH21 ARG A 53 -14.015 0.123 2.500 1.00 53.30 H new ATOM 0 HH22 ARG A 53 -14.949 0.003 3.995 1.00 53.30 H new ATOM 895 N VAL A 54 -7.472 0.602 5.228 1.00 74.23 N ATOM 896 CA VAL A 54 -7.155 1.681 6.194 1.00 52.24 C ATOM 897 C VAL A 54 -7.811 2.985 5.706 1.00 52.33 C ATOM 898 O VAL A 54 -7.977 3.153 4.519 1.00 2.24 O ATOM 899 CB VAL A 54 -5.600 1.874 6.337 1.00 62.02 C ATOM 900 CG1 VAL A 54 -4.939 0.619 6.958 1.00 51.44 C ATOM 901 CG2 VAL A 54 -4.952 2.240 4.977 1.00 62.31 C ATOM 0 H VAL A 54 -7.181 0.821 4.275 1.00 74.23 H new ATOM 0 HA VAL A 54 -7.544 1.410 7.175 1.00 52.24 H new ATOM 0 HB VAL A 54 -5.428 2.709 7.016 1.00 62.02 H new ATOM 0 HG11 VAL A 54 -3.864 0.779 7.045 1.00 51.44 H new ATOM 0 HG12 VAL A 54 -5.360 0.437 7.947 1.00 51.44 H new ATOM 0 HG13 VAL A 54 -5.126 -0.244 6.320 1.00 51.44 H new ATOM 0 HG21 VAL A 54 -3.877 2.367 5.108 1.00 62.31 H new ATOM 0 HG22 VAL A 54 -5.138 1.442 4.259 1.00 62.31 H new ATOM 0 HG23 VAL A 54 -5.384 3.169 4.606 1.00 62.31 H new ATOM 911 N ARG A 55 -8.204 3.905 6.613 1.00 14.33 N ATOM 912 CA ARG A 55 -8.937 5.137 6.212 1.00 60.52 C ATOM 913 C ARG A 55 -8.234 6.398 6.752 1.00 21.15 C ATOM 914 O ARG A 55 -7.455 7.036 6.031 1.00 55.34 O ATOM 915 CB ARG A 55 -10.419 5.070 6.700 1.00 33.03 C ATOM 916 CG ARG A 55 -11.182 3.785 6.308 1.00 43.51 C ATOM 917 CD ARG A 55 -12.621 3.770 6.844 1.00 22.11 C ATOM 918 NE ARG A 55 -13.410 4.906 6.333 1.00 0.25 N ATOM 919 CZ ARG A 55 -14.488 4.807 5.535 1.00 53.24 C ATOM 920 NH1 ARG A 55 -14.948 3.618 5.138 1.00 71.20 N ATOM 921 NH2 ARG A 55 -15.097 5.905 5.133 1.00 64.52 N ATOM 0 H ARG A 55 -8.032 3.825 7.615 1.00 14.33 H new ATOM 0 HA ARG A 55 -8.936 5.198 5.124 1.00 60.52 H new ATOM 0 HB2 ARG A 55 -10.432 5.164 7.786 1.00 33.03 H new ATOM 0 HB3 ARG A 55 -10.956 5.929 6.299 1.00 33.03 H new ATOM 0 HG2 ARG A 55 -11.201 3.694 5.222 1.00 43.51 H new ATOM 0 HG3 ARG A 55 -10.646 2.917 6.691 1.00 43.51 H new ATOM 0 HD2 ARG A 55 -13.104 2.835 6.560 1.00 22.11 H new ATOM 0 HD3 ARG A 55 -12.603 3.801 7.933 1.00 22.11 H new ATOM 0 HE ARG A 55 -13.114 5.843 6.607 1.00 0.25 H new ATOM 0 HH11 ARG A 55 -14.480 2.763 5.440 1.00 71.20 H new ATOM 0 HH12 ARG A 55 -15.767 3.564 4.533 1.00 71.20 H new ATOM 0 HH21 ARG A 55 -14.750 6.818 5.427 1.00 64.52 H new ATOM 0 HH22 ARG A 55 -15.915 5.842 4.528 1.00 64.52 H new ATOM 935 N ASN A 56 -8.513 6.748 8.033 1.00 50.22 N ATOM 936 CA ASN A 56 -7.883 7.900 8.711 1.00 1.24 C ATOM 937 C ASN A 56 -6.653 7.389 9.455 1.00 70.20 C ATOM 938 O ASN A 56 -6.750 6.872 10.572 1.00 3.34 O ATOM 939 CB ASN A 56 -8.873 8.620 9.684 1.00 4.32 C ATOM 940 CG ASN A 56 -10.037 9.356 8.999 1.00 22.22 C ATOM 941 OD1 ASN A 56 -10.487 10.401 9.467 1.00 73.32 O ATOM 942 ND2 ASN A 56 -10.548 8.814 7.905 1.00 63.12 N ATOM 0 H ASN A 56 -9.177 6.241 8.618 1.00 50.22 H new ATOM 0 HA ASN A 56 -7.595 8.645 7.969 1.00 1.24 H new ATOM 0 HB2 ASN A 56 -9.284 7.881 10.372 1.00 4.32 H new ATOM 0 HB3 ASN A 56 -8.312 9.337 10.284 1.00 4.32 H new ATOM 0 HD21 ASN A 56 -11.332 9.263 7.431 1.00 63.12 H new ATOM 0 HD22 ASN A 56 -10.158 7.947 7.535 1.00 63.12 H new ATOM 949 N ILE A 57 -5.500 7.501 8.785 1.00 41.40 N ATOM 950 CA ILE A 57 -4.215 6.967 9.270 1.00 62.43 C ATOM 951 C ILE A 57 -3.092 7.997 9.025 1.00 12.01 C ATOM 952 O ILE A 57 -2.929 8.501 7.913 1.00 55.33 O ATOM 953 CB ILE A 57 -3.876 5.538 8.628 1.00 31.44 C ATOM 954 CG1 ILE A 57 -4.510 5.322 7.196 1.00 3.34 C ATOM 955 CG2 ILE A 57 -4.316 4.395 9.586 1.00 51.43 C ATOM 956 CD1 ILE A 57 -4.067 6.284 6.098 1.00 64.30 C ATOM 0 H ILE A 57 -5.429 7.969 7.882 1.00 41.40 H new ATOM 0 HA ILE A 57 -4.296 6.800 10.344 1.00 62.43 H new ATOM 0 HB ILE A 57 -2.795 5.514 8.494 1.00 31.44 H new ATOM 0 HG12 ILE A 57 -4.280 4.307 6.872 1.00 3.34 H new ATOM 0 HG13 ILE A 57 -5.594 5.389 7.290 1.00 3.34 H new ATOM 0 HG21 ILE A 57 -4.079 3.431 9.135 1.00 51.43 H new ATOM 0 HG22 ILE A 57 -3.788 4.492 10.535 1.00 51.43 H new ATOM 0 HG23 ILE A 57 -5.390 4.460 9.760 1.00 51.43 H new ATOM 0 HD11 ILE A 57 -4.573 6.030 5.166 1.00 64.30 H new ATOM 0 HD12 ILE A 57 -4.323 7.304 6.383 1.00 64.30 H new ATOM 0 HD13 ILE A 57 -2.989 6.205 5.959 1.00 64.30 H new ATOM 968 N SER A 58 -2.336 8.320 10.085 1.00 34.34 N ATOM 969 CA SER A 58 -1.222 9.290 10.027 1.00 32.45 C ATOM 970 C SER A 58 -0.002 8.683 9.290 1.00 33.21 C ATOM 971 O SER A 58 -0.025 7.508 8.917 1.00 11.31 O ATOM 972 CB SER A 58 -0.857 9.711 11.464 1.00 24.04 C ATOM 973 OG SER A 58 -1.996 10.152 12.177 1.00 43.23 O ATOM 0 H SER A 58 -2.477 7.917 11.011 1.00 34.34 H new ATOM 0 HA SER A 58 -1.530 10.171 9.463 1.00 32.45 H new ATOM 0 HB2 SER A 58 -0.402 8.870 11.987 1.00 24.04 H new ATOM 0 HB3 SER A 58 -0.114 10.508 11.434 1.00 24.04 H new ATOM 0 HG SER A 58 -2.475 9.378 12.539 1.00 43.23 H new ATOM 979 N LYS A 59 1.066 9.483 9.112 1.00 54.22 N ATOM 980 CA LYS A 59 2.210 9.142 8.221 1.00 73.14 C ATOM 981 C LYS A 59 2.920 7.805 8.577 1.00 41.05 C ATOM 982 O LYS A 59 3.415 7.125 7.682 1.00 73.52 O ATOM 983 CB LYS A 59 3.215 10.340 8.134 1.00 74.21 C ATOM 984 CG LYS A 59 3.615 10.980 9.489 1.00 50.41 C ATOM 985 CD LYS A 59 4.652 10.177 10.311 1.00 43.10 C ATOM 986 CE LYS A 59 5.002 10.865 11.645 1.00 14.13 C ATOM 987 NZ LYS A 59 5.607 12.208 11.455 1.00 4.01 N ATOM 0 H LYS A 59 1.168 10.385 9.578 1.00 54.22 H new ATOM 0 HA LYS A 59 1.786 8.970 7.232 1.00 73.14 H new ATOM 0 HB2 LYS A 59 4.120 9.996 7.634 1.00 74.21 H new ATOM 0 HB3 LYS A 59 2.777 11.113 7.503 1.00 74.21 H new ATOM 0 HG2 LYS A 59 4.016 11.975 9.299 1.00 50.41 H new ATOM 0 HG3 LYS A 59 2.716 11.109 10.092 1.00 50.41 H new ATOM 0 HD2 LYS A 59 4.260 9.180 10.511 1.00 43.10 H new ATOM 0 HD3 LYS A 59 5.560 10.050 9.721 1.00 43.10 H new ATOM 0 HE2 LYS A 59 4.099 10.960 12.248 1.00 14.13 H new ATOM 0 HE3 LYS A 59 5.694 10.235 12.204 1.00 14.13 H new ATOM 0 HZ1 LYS A 59 5.931 12.576 12.372 1.00 4.01 H new ATOM 0 HZ2 LYS A 59 6.416 12.136 10.806 1.00 4.01 H new ATOM 0 HZ3 LYS A 59 4.898 12.855 11.054 1.00 4.01 H new ATOM 1001 N GLU A 60 2.984 7.446 9.875 1.00 71.01 N ATOM 1002 CA GLU A 60 3.593 6.162 10.323 1.00 4.04 C ATOM 1003 C GLU A 60 2.553 5.033 10.362 1.00 43.54 C ATOM 1004 O GLU A 60 2.898 3.855 10.245 1.00 33.23 O ATOM 1005 CB GLU A 60 4.286 6.297 11.705 1.00 10.51 C ATOM 1006 CG GLU A 60 3.357 6.460 12.929 1.00 73.12 C ATOM 1007 CD GLU A 60 2.656 7.823 13.000 1.00 52.01 C ATOM 1008 OE1 GLU A 60 1.559 7.966 12.445 1.00 51.53 O ATOM 1009 OE2 GLU A 60 3.206 8.760 13.614 1.00 13.42 O ATOM 0 H GLU A 60 2.624 8.022 10.636 1.00 71.01 H new ATOM 0 HA GLU A 60 4.357 5.907 9.588 1.00 4.04 H new ATOM 0 HB2 GLU A 60 4.907 5.415 11.863 1.00 10.51 H new ATOM 0 HB3 GLU A 60 4.956 7.156 11.668 1.00 10.51 H new ATOM 0 HG2 GLU A 60 2.602 5.675 12.907 1.00 73.12 H new ATOM 0 HG3 GLU A 60 3.941 6.315 13.838 1.00 73.12 H new ATOM 1016 N GLU A 61 1.290 5.403 10.583 1.00 74.32 N ATOM 1017 CA GLU A 61 0.174 4.445 10.610 1.00 25.15 C ATOM 1018 C GLU A 61 -0.096 3.840 9.219 1.00 3.12 C ATOM 1019 O GLU A 61 -0.388 2.648 9.094 1.00 30.11 O ATOM 1020 CB GLU A 61 -1.093 5.119 11.173 1.00 2.12 C ATOM 1021 CG GLU A 61 -0.952 5.647 12.612 1.00 44.51 C ATOM 1022 CD GLU A 61 -2.293 6.092 13.210 1.00 14.42 C ATOM 1023 OE1 GLU A 61 -2.745 7.222 12.927 1.00 62.41 O ATOM 1024 OE2 GLU A 61 -2.913 5.302 13.963 1.00 24.13 O ATOM 0 H GLU A 61 1.009 6.370 10.748 1.00 74.32 H new ATOM 0 HA GLU A 61 0.456 3.622 11.267 1.00 25.15 H new ATOM 0 HB2 GLU A 61 -1.368 5.948 10.521 1.00 2.12 H new ATOM 0 HB3 GLU A 61 -1.914 4.403 11.141 1.00 2.12 H new ATOM 0 HG2 GLU A 61 -0.519 4.869 13.240 1.00 44.51 H new ATOM 0 HG3 GLU A 61 -0.258 6.487 12.621 1.00 44.51 H new ATOM 1031 N LEU A 62 0.032 4.660 8.168 1.00 31.21 N ATOM 1032 CA LEU A 62 -0.087 4.181 6.780 1.00 2.12 C ATOM 1033 C LEU A 62 1.164 3.382 6.373 1.00 1.43 C ATOM 1034 O LEU A 62 1.123 2.575 5.445 1.00 20.24 O ATOM 1035 CB LEU A 62 -0.405 5.356 5.820 1.00 42.42 C ATOM 1036 CG LEU A 62 0.594 6.567 5.785 1.00 10.42 C ATOM 1037 CD1 LEU A 62 1.836 6.292 4.907 1.00 20.53 C ATOM 1038 CD2 LEU A 62 -0.115 7.875 5.352 1.00 74.31 C ATOM 0 H LEU A 62 0.218 5.660 8.250 1.00 31.21 H new ATOM 0 HA LEU A 62 -0.928 3.492 6.708 1.00 2.12 H new ATOM 0 HB2 LEU A 62 -0.477 4.953 4.810 1.00 42.42 H new ATOM 0 HB3 LEU A 62 -1.390 5.743 6.080 1.00 42.42 H new ATOM 0 HG LEU A 62 0.953 6.697 6.806 1.00 10.42 H new ATOM 0 HD11 LEU A 62 2.491 7.163 4.920 1.00 20.53 H new ATOM 0 HD12 LEU A 62 2.374 5.428 5.297 1.00 20.53 H new ATOM 0 HD13 LEU A 62 1.521 6.091 3.883 1.00 20.53 H new ATOM 0 HD21 LEU A 62 0.606 8.692 5.339 1.00 74.31 H new ATOM 0 HD22 LEU A 62 -0.537 7.747 4.355 1.00 74.31 H new ATOM 0 HD23 LEU A 62 -0.913 8.107 6.057 1.00 74.31 H new ATOM 1050 N LYS A 63 2.281 3.603 7.099 1.00 33.55 N ATOM 1051 CA LYS A 63 3.491 2.781 6.953 1.00 34.14 C ATOM 1052 C LYS A 63 3.243 1.330 7.384 1.00 14.22 C ATOM 1053 O LYS A 63 4.022 0.481 7.016 1.00 75.35 O ATOM 1054 CB LYS A 63 4.722 3.363 7.701 1.00 71.10 C ATOM 1055 CG LYS A 63 5.340 4.629 7.068 1.00 1.40 C ATOM 1056 CD LYS A 63 6.605 5.140 7.822 1.00 11.14 C ATOM 1057 CE LYS A 63 7.840 4.203 7.710 1.00 42.04 C ATOM 1058 NZ LYS A 63 7.704 2.913 8.467 1.00 74.33 N ATOM 0 H LYS A 63 2.365 4.347 7.792 1.00 33.55 H new ATOM 0 HA LYS A 63 3.728 2.796 5.889 1.00 34.14 H new ATOM 0 HB2 LYS A 63 4.428 3.595 8.725 1.00 71.10 H new ATOM 0 HB3 LYS A 63 5.491 2.592 7.757 1.00 71.10 H new ATOM 0 HG2 LYS A 63 5.604 4.417 6.032 1.00 1.40 H new ATOM 0 HG3 LYS A 63 4.591 5.421 7.051 1.00 1.40 H new ATOM 0 HD2 LYS A 63 6.873 6.122 7.433 1.00 11.14 H new ATOM 0 HD3 LYS A 63 6.357 5.271 8.875 1.00 11.14 H new ATOM 0 HE2 LYS A 63 8.017 3.977 6.658 1.00 42.04 H new ATOM 0 HE3 LYS A 63 8.719 4.734 8.074 1.00 42.04 H new ATOM 0 HZ1 LYS A 63 8.600 2.698 8.950 1.00 74.33 H new ATOM 0 HZ2 LYS A 63 6.944 3.002 9.171 1.00 74.33 H new ATOM 0 HZ3 LYS A 63 7.474 2.145 7.805 1.00 74.33 H new ATOM 1072 N LYS A 64 2.157 1.048 8.154 1.00 41.21 N ATOM 1073 CA LYS A 64 1.787 -0.349 8.505 1.00 51.42 C ATOM 1074 C LYS A 64 1.464 -1.165 7.233 1.00 50.34 C ATOM 1075 O LYS A 64 1.663 -2.385 7.202 1.00 35.23 O ATOM 1076 CB LYS A 64 0.599 -0.389 9.495 1.00 33.52 C ATOM 1077 CG LYS A 64 0.878 0.303 10.849 1.00 21.34 C ATOM 1078 CD LYS A 64 2.038 -0.334 11.657 1.00 3.02 C ATOM 1079 CE LYS A 64 1.713 -1.753 12.163 1.00 21.01 C ATOM 1080 NZ LYS A 64 0.569 -1.780 13.124 1.00 5.23 N ATOM 0 H LYS A 64 1.532 1.757 8.537 1.00 41.21 H new ATOM 0 HA LYS A 64 2.646 -0.804 8.999 1.00 51.42 H new ATOM 0 HB2 LYS A 64 -0.264 0.086 9.028 1.00 33.52 H new ATOM 0 HB3 LYS A 64 0.330 -1.429 9.680 1.00 33.52 H new ATOM 0 HG2 LYS A 64 1.109 1.353 10.668 1.00 21.34 H new ATOM 0 HG3 LYS A 64 -0.029 0.276 11.453 1.00 21.34 H new ATOM 0 HD2 LYS A 64 2.930 -0.373 11.032 1.00 3.02 H new ATOM 0 HD3 LYS A 64 2.273 0.304 12.509 1.00 3.02 H new ATOM 0 HE2 LYS A 64 1.481 -2.393 11.311 1.00 21.01 H new ATOM 0 HE3 LYS A 64 2.596 -2.172 12.645 1.00 21.01 H new ATOM 0 HZ1 LYS A 64 0.471 -2.736 13.521 1.00 5.23 H new ATOM 0 HZ2 LYS A 64 0.746 -1.103 13.893 1.00 5.23 H new ATOM 0 HZ3 LYS A 64 -0.307 -1.520 12.628 1.00 5.23 H new ATOM 1094 N LEU A 65 1.021 -0.457 6.174 1.00 32.21 N ATOM 1095 CA LEU A 65 0.814 -1.045 4.836 1.00 21.44 C ATOM 1096 C LEU A 65 2.173 -1.493 4.290 1.00 63.12 C ATOM 1097 O LEU A 65 2.327 -2.613 3.825 1.00 5.41 O ATOM 1098 CB LEU A 65 0.178 -0.006 3.860 1.00 44.34 C ATOM 1099 CG LEU A 65 -1.319 0.406 4.083 1.00 44.23 C ATOM 1100 CD1 LEU A 65 -2.273 -0.735 3.704 1.00 63.45 C ATOM 1101 CD2 LEU A 65 -1.581 0.899 5.519 1.00 32.24 C ATOM 0 H LEU A 65 0.797 0.537 6.223 1.00 32.21 H new ATOM 0 HA LEU A 65 0.133 -1.892 4.919 1.00 21.44 H new ATOM 0 HB2 LEU A 65 0.782 0.901 3.900 1.00 44.34 H new ATOM 0 HB3 LEU A 65 0.266 -0.403 2.849 1.00 44.34 H new ATOM 0 HG LEU A 65 -1.518 1.246 3.418 1.00 44.23 H new ATOM 0 HD11 LEU A 65 -3.303 -0.418 3.870 1.00 63.45 H new ATOM 0 HD12 LEU A 65 -2.136 -0.990 2.653 1.00 63.45 H new ATOM 0 HD13 LEU A 65 -2.058 -1.608 4.320 1.00 63.45 H new ATOM 0 HD21 LEU A 65 -2.631 1.172 5.624 1.00 32.24 H new ATOM 0 HD22 LEU A 65 -1.340 0.105 6.226 1.00 32.24 H new ATOM 0 HD23 LEU A 65 -0.957 1.769 5.725 1.00 32.24 H new ATOM 1113 N LEU A 66 3.152 -0.583 4.416 1.00 32.44 N ATOM 1114 CA LEU A 66 4.545 -0.803 4.004 1.00 3.43 C ATOM 1115 C LEU A 66 5.214 -1.872 4.875 1.00 70.55 C ATOM 1116 O LEU A 66 6.113 -2.553 4.414 1.00 22.25 O ATOM 1117 CB LEU A 66 5.353 0.526 4.090 1.00 62.14 C ATOM 1118 CG LEU A 66 4.728 1.742 3.349 1.00 24.32 C ATOM 1119 CD1 LEU A 66 5.581 3.017 3.542 1.00 31.43 C ATOM 1120 CD2 LEU A 66 4.509 1.409 1.865 1.00 41.53 C ATOM 0 H LEU A 66 2.993 0.342 4.814 1.00 32.44 H new ATOM 0 HA LEU A 66 4.537 -1.152 2.971 1.00 3.43 H new ATOM 0 HB2 LEU A 66 5.476 0.788 5.141 1.00 62.14 H new ATOM 0 HB3 LEU A 66 6.350 0.351 3.686 1.00 62.14 H new ATOM 0 HG LEU A 66 3.752 1.951 3.787 1.00 24.32 H new ATOM 0 HD11 LEU A 66 5.117 3.849 3.012 1.00 31.43 H new ATOM 0 HD12 LEU A 66 5.645 3.254 4.604 1.00 31.43 H new ATOM 0 HD13 LEU A 66 6.583 2.848 3.147 1.00 31.43 H new ATOM 0 HD21 LEU A 66 4.071 2.270 1.360 1.00 41.53 H new ATOM 0 HD22 LEU A 66 5.465 1.164 1.402 1.00 41.53 H new ATOM 0 HD23 LEU A 66 3.835 0.556 1.779 1.00 41.53 H new ATOM 1132 N GLU A 67 4.748 -2.004 6.137 1.00 41.01 N ATOM 1133 CA GLU A 67 5.256 -3.017 7.075 1.00 42.23 C ATOM 1134 C GLU A 67 4.728 -4.408 6.697 1.00 72.25 C ATOM 1135 O GLU A 67 5.332 -5.403 7.055 1.00 62.41 O ATOM 1136 CB GLU A 67 4.912 -2.709 8.563 1.00 50.21 C ATOM 1137 CG GLU A 67 5.392 -1.342 9.111 1.00 0.13 C ATOM 1138 CD GLU A 67 6.811 -0.922 8.673 1.00 12.21 C ATOM 1139 OE1 GLU A 67 6.970 0.130 8.001 1.00 2.21 O ATOM 1140 OE2 GLU A 67 7.781 -1.644 9.001 1.00 61.55 O ATOM 0 H GLU A 67 4.014 -1.413 6.527 1.00 41.01 H new ATOM 0 HA GLU A 67 6.342 -2.993 6.990 1.00 42.23 H new ATOM 0 HB2 GLU A 67 3.830 -2.764 8.682 1.00 50.21 H new ATOM 0 HB3 GLU A 67 5.342 -3.496 9.183 1.00 50.21 H new ATOM 0 HG2 GLU A 67 4.688 -0.573 8.793 1.00 0.13 H new ATOM 0 HG3 GLU A 67 5.359 -1.373 10.200 1.00 0.13 H new ATOM 1147 N ARG A 68 3.569 -4.463 6.010 1.00 13.44 N ATOM 1148 CA ARG A 68 3.063 -5.718 5.419 1.00 60.20 C ATOM 1149 C ARG A 68 3.814 -6.044 4.112 1.00 22.54 C ATOM 1150 O ARG A 68 4.373 -7.140 3.977 1.00 70.24 O ATOM 1151 CB ARG A 68 1.538 -5.638 5.154 1.00 11.34 C ATOM 1152 CG ARG A 68 0.668 -5.480 6.420 1.00 72.42 C ATOM 1153 CD ARG A 68 -0.828 -5.637 6.109 1.00 54.50 C ATOM 1154 NE ARG A 68 -1.676 -5.744 7.302 1.00 15.35 N ATOM 1155 CZ ARG A 68 -2.820 -6.457 7.357 1.00 11.41 C ATOM 1156 NH1 ARG A 68 -3.255 -7.146 6.291 1.00 31.14 N ATOM 1157 NH2 ARG A 68 -3.522 -6.485 8.480 1.00 71.22 N ATOM 0 H ARG A 68 2.967 -3.655 5.851 1.00 13.44 H new ATOM 0 HA ARG A 68 3.242 -6.519 6.136 1.00 60.20 H new ATOM 0 HB2 ARG A 68 1.343 -4.797 4.489 1.00 11.34 H new ATOM 0 HB3 ARG A 68 1.227 -6.540 4.627 1.00 11.34 H new ATOM 0 HG2 ARG A 68 0.965 -6.223 7.160 1.00 72.42 H new ATOM 0 HG3 ARG A 68 0.846 -4.500 6.863 1.00 72.42 H new ATOM 0 HD2 ARG A 68 -1.157 -4.783 5.517 1.00 54.50 H new ATOM 0 HD3 ARG A 68 -0.970 -6.526 5.494 1.00 54.50 H new ATOM 0 HE ARG A 68 -1.382 -5.248 8.143 1.00 15.35 H new ATOM 0 HH11 ARG A 68 -2.719 -7.135 5.423 1.00 31.14 H new ATOM 0 HH12 ARG A 68 -4.122 -7.680 6.348 1.00 31.14 H new ATOM 0 HH21 ARG A 68 -3.197 -5.969 9.298 1.00 71.22 H new ATOM 0 HH22 ARG A 68 -4.388 -7.022 8.527 1.00 71.22 H new ATOM 1171 N ILE A 69 3.824 -5.072 3.170 1.00 51.32 N ATOM 1172 CA ILE A 69 4.425 -5.227 1.825 1.00 33.02 C ATOM 1173 C ILE A 69 5.900 -5.652 1.946 1.00 62.23 C ATOM 1174 O ILE A 69 6.341 -6.591 1.258 1.00 62.24 O ATOM 1175 CB ILE A 69 4.321 -3.885 0.979 1.00 34.45 C ATOM 1176 CG1 ILE A 69 2.828 -3.449 0.808 1.00 72.03 C ATOM 1177 CG2 ILE A 69 5.019 -4.015 -0.409 1.00 74.14 C ATOM 1178 CD1 ILE A 69 2.635 -2.074 0.180 1.00 63.43 C ATOM 0 H ILE A 69 3.412 -4.152 3.323 1.00 51.32 H new ATOM 0 HA ILE A 69 3.864 -6.002 1.302 1.00 33.02 H new ATOM 0 HB ILE A 69 4.847 -3.111 1.537 1.00 34.45 H new ATOM 0 HG12 ILE A 69 2.315 -4.189 0.194 1.00 72.03 H new ATOM 0 HG13 ILE A 69 2.347 -3.458 1.786 1.00 72.03 H new ATOM 0 HG21 ILE A 69 4.924 -3.076 -0.954 1.00 74.14 H new ATOM 0 HG22 ILE A 69 6.075 -4.246 -0.265 1.00 74.14 H new ATOM 0 HG23 ILE A 69 4.547 -4.815 -0.980 1.00 74.14 H new ATOM 0 HD11 ILE A 69 1.570 -1.856 0.101 1.00 63.43 H new ATOM 0 HD12 ILE A 69 3.114 -1.319 0.803 1.00 63.43 H new ATOM 0 HD13 ILE A 69 3.083 -2.062 -0.814 1.00 63.43 H new ATOM 1190 N ARG A 70 6.629 -4.997 2.881 1.00 42.42 N ATOM 1191 CA ARG A 70 8.068 -5.243 3.085 1.00 11.23 C ATOM 1192 C ARG A 70 8.348 -6.720 3.396 1.00 23.54 C ATOM 1193 O ARG A 70 9.280 -7.289 2.838 1.00 35.32 O ATOM 1194 CB ARG A 70 8.675 -4.361 4.202 1.00 53.25 C ATOM 1195 CG ARG A 70 8.204 -4.666 5.637 1.00 45.33 C ATOM 1196 CD ARG A 70 9.077 -3.990 6.701 1.00 71.51 C ATOM 1197 NE ARG A 70 10.454 -4.508 6.650 1.00 5.43 N ATOM 1198 CZ ARG A 70 11.550 -3.785 6.386 1.00 42.01 C ATOM 1199 NH1 ARG A 70 11.467 -2.474 6.144 1.00 61.41 N ATOM 1200 NH2 ARG A 70 12.716 -4.397 6.330 1.00 15.42 N ATOM 0 H ARG A 70 6.238 -4.292 3.506 1.00 42.42 H new ATOM 0 HA ARG A 70 8.548 -4.974 2.144 1.00 11.23 H new ATOM 0 HB2 ARG A 70 9.760 -4.462 4.168 1.00 53.25 H new ATOM 0 HB3 ARG A 70 8.445 -3.319 3.980 1.00 53.25 H new ATOM 0 HG2 ARG A 70 7.172 -4.335 5.755 1.00 45.33 H new ATOM 0 HG3 ARG A 70 8.213 -5.744 5.797 1.00 45.33 H new ATOM 0 HD2 ARG A 70 9.083 -2.912 6.542 1.00 71.51 H new ATOM 0 HD3 ARG A 70 8.654 -4.164 7.690 1.00 71.51 H new ATOM 0 HE ARG A 70 10.585 -5.503 6.831 1.00 5.43 H new ATOM 0 HH11 ARG A 70 10.559 -2.009 6.159 1.00 61.41 H new ATOM 0 HH12 ARG A 70 12.311 -1.938 5.945 1.00 61.41 H new ATOM 0 HH21 ARG A 70 12.772 -5.403 6.486 1.00 15.42 H new ATOM 0 HH22 ARG A 70 13.563 -3.864 6.130 1.00 15.42 H new ATOM 1214 N GLU A 71 7.487 -7.330 4.247 1.00 0.22 N ATOM 1215 CA GLU A 71 7.610 -8.742 4.649 1.00 20.00 C ATOM 1216 C GLU A 71 7.549 -9.647 3.432 1.00 21.03 C ATOM 1217 O GLU A 71 8.328 -10.594 3.304 1.00 4.23 O ATOM 1218 CB GLU A 71 6.471 -9.151 5.618 1.00 4.22 C ATOM 1219 CG GLU A 71 6.382 -8.316 6.897 1.00 51.44 C ATOM 1220 CD GLU A 71 5.230 -8.759 7.804 1.00 14.13 C ATOM 1221 OE1 GLU A 71 5.449 -9.632 8.671 1.00 43.53 O ATOM 1222 OE2 GLU A 71 4.096 -8.260 7.639 1.00 3.41 O ATOM 0 H GLU A 71 6.691 -6.853 4.670 1.00 0.22 H new ATOM 0 HA GLU A 71 8.571 -8.852 5.152 1.00 20.00 H new ATOM 0 HB2 GLU A 71 5.521 -9.081 5.089 1.00 4.22 H new ATOM 0 HB3 GLU A 71 6.606 -10.197 5.893 1.00 4.22 H new ATOM 0 HG2 GLU A 71 7.322 -8.393 7.444 1.00 51.44 H new ATOM 0 HG3 GLU A 71 6.251 -7.266 6.634 1.00 51.44 H new ATOM 1229 N LYS A 72 6.643 -9.293 2.511 1.00 61.41 N ATOM 1230 CA LYS A 72 6.323 -10.129 1.361 1.00 21.03 C ATOM 1231 C LYS A 72 7.506 -10.086 0.381 1.00 75.10 C ATOM 1232 O LYS A 72 8.011 -11.126 -0.041 1.00 14.42 O ATOM 1233 CB LYS A 72 5.007 -9.645 0.678 1.00 12.24 C ATOM 1234 CG LYS A 72 3.861 -9.275 1.645 1.00 74.43 C ATOM 1235 CD LYS A 72 3.378 -10.431 2.548 1.00 45.12 C ATOM 1236 CE LYS A 72 2.226 -9.983 3.473 1.00 73.22 C ATOM 1237 NZ LYS A 72 1.745 -11.089 4.352 1.00 32.32 N ATOM 0 H LYS A 72 6.116 -8.420 2.548 1.00 61.41 H new ATOM 0 HA LYS A 72 6.159 -11.157 1.684 1.00 21.03 H new ATOM 0 HB2 LYS A 72 5.235 -8.776 0.061 1.00 12.24 H new ATOM 0 HB3 LYS A 72 4.656 -10.429 0.007 1.00 12.24 H new ATOM 0 HG2 LYS A 72 4.190 -8.451 2.278 1.00 74.43 H new ATOM 0 HG3 LYS A 72 3.015 -8.910 1.062 1.00 74.43 H new ATOM 0 HD2 LYS A 72 3.045 -11.264 1.928 1.00 45.12 H new ATOM 0 HD3 LYS A 72 4.210 -10.795 3.151 1.00 45.12 H new ATOM 0 HE2 LYS A 72 2.562 -9.150 4.091 1.00 73.22 H new ATOM 0 HE3 LYS A 72 1.397 -9.617 2.867 1.00 73.22 H new ATOM 0 HZ1 LYS A 72 0.972 -10.742 4.955 1.00 32.32 H new ATOM 0 HZ2 LYS A 72 1.400 -11.874 3.764 1.00 32.32 H new ATOM 0 HZ3 LYS A 72 2.528 -11.422 4.950 1.00 32.32 H new ATOM 1251 N ILE A 73 7.986 -8.862 0.080 1.00 64.00 N ATOM 1252 CA ILE A 73 9.055 -8.648 -0.917 1.00 40.33 C ATOM 1253 C ILE A 73 10.435 -9.121 -0.388 1.00 61.45 C ATOM 1254 O ILE A 73 11.296 -9.526 -1.179 1.00 62.32 O ATOM 1255 CB ILE A 73 9.146 -7.138 -1.392 1.00 4.31 C ATOM 1256 CG1 ILE A 73 9.629 -6.194 -0.242 1.00 50.12 C ATOM 1257 CG2 ILE A 73 7.786 -6.655 -1.960 1.00 43.11 C ATOM 1258 CD1 ILE A 73 9.802 -4.729 -0.629 1.00 62.44 C ATOM 0 H ILE A 73 7.648 -8.004 0.515 1.00 64.00 H new ATOM 0 HA ILE A 73 8.786 -9.255 -1.782 1.00 40.33 H new ATOM 0 HB ILE A 73 9.890 -7.093 -2.187 1.00 4.31 H new ATOM 0 HG12 ILE A 73 8.914 -6.254 0.579 1.00 50.12 H new ATOM 0 HG13 ILE A 73 10.581 -6.567 0.136 1.00 50.12 H new ATOM 0 HG21 ILE A 73 7.873 -5.616 -2.279 1.00 43.11 H new ATOM 0 HG22 ILE A 73 7.507 -7.274 -2.812 1.00 43.11 H new ATOM 0 HG23 ILE A 73 7.021 -6.734 -1.188 1.00 43.11 H new ATOM 0 HD11 ILE A 73 10.139 -4.161 0.238 1.00 62.44 H new ATOM 0 HD12 ILE A 73 10.541 -4.648 -1.426 1.00 62.44 H new ATOM 0 HD13 ILE A 73 8.849 -4.329 -0.976 1.00 62.44 H new ATOM 1270 N GLU A 74 10.636 -9.081 0.951 1.00 3.41 N ATOM 1271 CA GLU A 74 11.929 -9.460 1.570 1.00 35.11 C ATOM 1272 C GLU A 74 12.009 -10.978 1.807 1.00 53.10 C ATOM 1273 O GLU A 74 13.106 -11.549 1.797 1.00 52.31 O ATOM 1274 CB GLU A 74 12.187 -8.668 2.895 1.00 71.04 C ATOM 1275 CG GLU A 74 11.398 -9.147 4.132 1.00 5.14 C ATOM 1276 CD GLU A 74 11.600 -8.254 5.372 1.00 13.42 C ATOM 1277 OE1 GLU A 74 10.949 -7.194 5.484 1.00 44.14 O ATOM 1278 OE2 GLU A 74 12.420 -8.608 6.248 1.00 14.23 O ATOM 0 H GLU A 74 9.923 -8.792 1.620 1.00 3.41 H new ATOM 0 HA GLU A 74 12.718 -9.189 0.868 1.00 35.11 H new ATOM 0 HB2 GLU A 74 13.251 -8.720 3.125 1.00 71.04 H new ATOM 0 HB3 GLU A 74 11.949 -7.619 2.720 1.00 71.04 H new ATOM 0 HG2 GLU A 74 10.337 -9.180 3.886 1.00 5.14 H new ATOM 0 HG3 GLU A 74 11.700 -10.166 4.374 1.00 5.14 H new ATOM 1285 N ARG A 75 10.853 -11.640 2.013 1.00 23.24 N ATOM 1286 CA ARG A 75 10.822 -13.104 2.266 1.00 1.21 C ATOM 1287 C ARG A 75 10.798 -13.889 0.935 1.00 72.31 C ATOM 1288 O ARG A 75 11.393 -14.963 0.832 1.00 52.11 O ATOM 1289 CB ARG A 75 9.615 -13.515 3.170 1.00 34.45 C ATOM 1290 CG ARG A 75 8.272 -13.710 2.429 1.00 51.21 C ATOM 1291 CD ARG A 75 7.111 -14.159 3.325 1.00 45.04 C ATOM 1292 NE ARG A 75 6.029 -14.738 2.521 1.00 51.52 N ATOM 1293 CZ ARG A 75 4.771 -14.919 2.937 1.00 43.44 C ATOM 1294 NH1 ARG A 75 4.388 -14.544 4.161 1.00 35.42 N ATOM 1295 NH2 ARG A 75 3.922 -15.520 2.135 1.00 24.12 N ATOM 0 H ARG A 75 9.935 -11.195 2.010 1.00 23.24 H new ATOM 0 HA ARG A 75 11.734 -13.359 2.805 1.00 1.21 H new ATOM 0 HB2 ARG A 75 9.866 -14.443 3.683 1.00 34.45 H new ATOM 0 HB3 ARG A 75 9.481 -12.753 3.937 1.00 34.45 H new ATOM 0 HG2 ARG A 75 7.999 -12.772 1.945 1.00 51.21 H new ATOM 0 HG3 ARG A 75 8.411 -14.448 1.639 1.00 51.21 H new ATOM 0 HD2 ARG A 75 7.466 -14.893 4.048 1.00 45.04 H new ATOM 0 HD3 ARG A 75 6.734 -13.309 3.893 1.00 45.04 H new ATOM 0 HE ARG A 75 6.254 -15.025 1.569 1.00 51.52 H new ATOM 0 HH11 ARG A 75 5.060 -14.112 4.795 1.00 35.42 H new ATOM 0 HH12 ARG A 75 3.424 -14.690 4.461 1.00 35.42 H new ATOM 0 HH21 ARG A 75 4.227 -15.838 1.215 1.00 24.12 H new ATOM 0 HH22 ARG A 75 2.958 -15.668 2.432 1.00 24.12 H new ATOM 1309 N GLU A 76 10.092 -13.340 -0.075 1.00 45.15 N ATOM 1310 CA GLU A 76 9.957 -13.968 -1.397 1.00 15.13 C ATOM 1311 C GLU A 76 11.176 -13.621 -2.255 1.00 63.33 C ATOM 1312 O GLU A 76 11.852 -14.508 -2.781 1.00 21.05 O ATOM 1313 CB GLU A 76 8.643 -13.506 -2.104 1.00 14.41 C ATOM 1314 CG GLU A 76 7.329 -13.866 -1.361 1.00 70.22 C ATOM 1315 CD GLU A 76 7.083 -15.378 -1.213 1.00 3.02 C ATOM 1316 OE1 GLU A 76 7.132 -15.907 -0.073 1.00 3.03 O ATOM 1317 OE2 GLU A 76 6.846 -16.047 -2.247 1.00 61.43 O ATOM 0 H GLU A 76 9.601 -12.449 0.007 1.00 45.15 H new ATOM 0 HA GLU A 76 9.903 -15.049 -1.268 1.00 15.13 H new ATOM 0 HB2 GLU A 76 8.682 -12.425 -2.236 1.00 14.41 H new ATOM 0 HB3 GLU A 76 8.611 -13.948 -3.100 1.00 14.41 H new ATOM 0 HG2 GLU A 76 7.350 -13.414 -0.369 1.00 70.22 H new ATOM 0 HG3 GLU A 76 6.489 -13.423 -1.896 1.00 70.22 H new ATOM 1324 N GLY A 77 11.450 -12.305 -2.357 1.00 12.34 N ATOM 1325 CA GLY A 77 12.504 -11.781 -3.233 1.00 54.14 C ATOM 1326 C GLY A 77 12.228 -12.063 -4.708 1.00 50.11 C ATOM 1327 O GLY A 77 13.158 -12.214 -5.512 1.00 61.11 O ATOM 0 H GLY A 77 10.949 -11.585 -1.837 1.00 12.34 H new ATOM 0 HA2 GLY A 77 12.596 -10.705 -3.083 1.00 54.14 H new ATOM 0 HA3 GLY A 77 13.459 -12.225 -2.953 1.00 54.14 H new ATOM 1331 N SER A 78 10.927 -12.149 -5.051 1.00 32.50 N ATOM 1332 CA SER A 78 10.462 -12.506 -6.402 1.00 2.11 C ATOM 1333 C SER A 78 10.569 -11.305 -7.358 1.00 71.51 C ATOM 1334 O SER A 78 10.613 -10.141 -6.926 1.00 73.43 O ATOM 1335 CB SER A 78 8.998 -13.022 -6.336 1.00 20.40 C ATOM 1336 OG SER A 78 8.531 -13.451 -7.613 1.00 72.51 O ATOM 0 H SER A 78 10.167 -11.971 -4.394 1.00 32.50 H new ATOM 0 HA SER A 78 11.101 -13.299 -6.791 1.00 2.11 H new ATOM 0 HB2 SER A 78 8.935 -13.849 -5.629 1.00 20.40 H new ATOM 0 HB3 SER A 78 8.350 -12.231 -5.959 1.00 20.40 H new ATOM 0 HG SER A 78 8.588 -14.428 -7.671 1.00 72.51 H new ATOM 1342 N SER A 79 10.630 -11.614 -8.664 1.00 40.12 N ATOM 1343 CA SER A 79 10.568 -10.615 -9.733 1.00 45.42 C ATOM 1344 C SER A 79 9.154 -9.998 -9.805 1.00 12.24 C ATOM 1345 O SER A 79 9.007 -8.789 -10.035 1.00 72.21 O ATOM 1346 CB SER A 79 10.963 -11.266 -11.081 1.00 1.02 C ATOM 1347 OG SER A 79 10.205 -12.446 -11.334 1.00 74.13 O ATOM 0 H SER A 79 10.724 -12.571 -9.005 1.00 40.12 H new ATOM 0 HA SER A 79 11.274 -9.812 -9.519 1.00 45.42 H new ATOM 0 HB2 SER A 79 10.808 -10.552 -11.890 1.00 1.02 H new ATOM 0 HB3 SER A 79 12.025 -11.510 -11.071 1.00 1.02 H new ATOM 0 HG SER A 79 10.477 -12.832 -12.193 1.00 74.13 H new ATOM 1353 N GLU A 80 8.115 -10.843 -9.597 1.00 71.21 N ATOM 1354 CA GLU A 80 6.721 -10.379 -9.568 1.00 1.51 C ATOM 1355 C GLU A 80 6.380 -9.836 -8.174 1.00 34.20 C ATOM 1356 O GLU A 80 6.126 -10.604 -7.235 1.00 0.20 O ATOM 1357 CB GLU A 80 5.722 -11.499 -9.971 1.00 44.13 C ATOM 1358 CG GLU A 80 4.253 -11.007 -10.067 1.00 54.22 C ATOM 1359 CD GLU A 80 3.246 -12.118 -10.384 1.00 51.44 C ATOM 1360 OE1 GLU A 80 2.801 -12.808 -9.452 1.00 75.53 O ATOM 1361 OE2 GLU A 80 2.892 -12.309 -11.565 1.00 11.30 O ATOM 0 H GLU A 80 8.224 -11.846 -9.448 1.00 71.21 H new ATOM 0 HA GLU A 80 6.623 -9.581 -10.304 1.00 1.51 H new ATOM 0 HB2 GLU A 80 6.022 -11.915 -10.933 1.00 44.13 H new ATOM 0 HB3 GLU A 80 5.780 -12.307 -9.242 1.00 44.13 H new ATOM 0 HG2 GLU A 80 3.975 -10.537 -9.124 1.00 54.22 H new ATOM 0 HG3 GLU A 80 4.187 -10.239 -10.838 1.00 54.22 H new ATOM 1368 N VAL A 81 6.442 -8.505 -8.047 1.00 14.22 N ATOM 1369 CA VAL A 81 5.953 -7.777 -6.875 1.00 71.40 C ATOM 1370 C VAL A 81 4.954 -6.704 -7.370 1.00 14.14 C ATOM 1371 O VAL A 81 5.289 -5.891 -8.241 1.00 64.22 O ATOM 1372 CB VAL A 81 7.135 -7.134 -6.042 1.00 71.25 C ATOM 1373 CG1 VAL A 81 8.061 -8.227 -5.453 1.00 35.20 C ATOM 1374 CG2 VAL A 81 7.952 -6.107 -6.870 1.00 53.52 C ATOM 0 H VAL A 81 6.838 -7.898 -8.765 1.00 14.22 H new ATOM 0 HA VAL A 81 5.454 -8.467 -6.194 1.00 71.40 H new ATOM 0 HB VAL A 81 6.677 -6.588 -5.217 1.00 71.25 H new ATOM 0 HG11 VAL A 81 8.864 -7.757 -4.886 1.00 35.20 H new ATOM 0 HG12 VAL A 81 7.484 -8.877 -4.795 1.00 35.20 H new ATOM 0 HG13 VAL A 81 8.487 -8.818 -6.263 1.00 35.20 H new ATOM 0 HG21 VAL A 81 8.751 -5.695 -6.253 1.00 53.52 H new ATOM 0 HG22 VAL A 81 8.384 -6.602 -7.740 1.00 53.52 H new ATOM 0 HG23 VAL A 81 7.296 -5.301 -7.200 1.00 53.52 H new ATOM 1384 N GLU A 82 3.705 -6.753 -6.871 1.00 24.13 N ATOM 1385 CA GLU A 82 2.629 -5.840 -7.327 1.00 23.43 C ATOM 1386 C GLU A 82 1.794 -5.332 -6.143 1.00 4.43 C ATOM 1387 O GLU A 82 1.454 -6.093 -5.241 1.00 74.00 O ATOM 1388 CB GLU A 82 1.727 -6.589 -8.343 1.00 41.22 C ATOM 1389 CG GLU A 82 0.600 -5.744 -8.983 1.00 34.11 C ATOM 1390 CD GLU A 82 -0.311 -6.561 -9.919 1.00 1.24 C ATOM 1391 OE1 GLU A 82 -1.420 -6.957 -9.502 1.00 52.02 O ATOM 1392 OE2 GLU A 82 0.079 -6.818 -11.078 1.00 1.43 O ATOM 0 H GLU A 82 3.411 -7.414 -6.152 1.00 24.13 H new ATOM 0 HA GLU A 82 3.081 -4.972 -7.806 1.00 23.43 H new ATOM 0 HB2 GLU A 82 2.358 -6.985 -9.139 1.00 41.22 H new ATOM 0 HB3 GLU A 82 1.275 -7.444 -7.840 1.00 41.22 H new ATOM 0 HG2 GLU A 82 -0.006 -5.299 -8.193 1.00 34.11 H new ATOM 0 HG3 GLU A 82 1.044 -4.922 -9.545 1.00 34.11 H new ATOM 1399 N VAL A 83 1.494 -4.025 -6.151 1.00 35.23 N ATOM 1400 CA VAL A 83 0.622 -3.375 -5.151 1.00 4.43 C ATOM 1401 C VAL A 83 -0.570 -2.692 -5.869 1.00 42.24 C ATOM 1402 O VAL A 83 -0.365 -1.788 -6.686 1.00 65.34 O ATOM 1403 CB VAL A 83 1.422 -2.305 -4.306 1.00 60.42 C ATOM 1404 CG1 VAL A 83 0.524 -1.656 -3.225 1.00 11.43 C ATOM 1405 CG2 VAL A 83 2.702 -2.917 -3.681 1.00 13.04 C ATOM 0 H VAL A 83 1.851 -3.380 -6.856 1.00 35.23 H new ATOM 0 HA VAL A 83 0.253 -4.140 -4.468 1.00 4.43 H new ATOM 0 HB VAL A 83 1.737 -1.517 -4.991 1.00 60.42 H new ATOM 0 HG11 VAL A 83 1.104 -0.925 -2.661 1.00 11.43 H new ATOM 0 HG12 VAL A 83 -0.320 -1.159 -3.703 1.00 11.43 H new ATOM 0 HG13 VAL A 83 0.155 -2.426 -2.548 1.00 11.43 H new ATOM 0 HG21 VAL A 83 3.227 -2.154 -3.107 1.00 13.04 H new ATOM 0 HG22 VAL A 83 2.427 -3.741 -3.023 1.00 13.04 H new ATOM 0 HG23 VAL A 83 3.353 -3.287 -4.473 1.00 13.04 H new ATOM 1415 N ASN A 84 -1.807 -3.134 -5.565 1.00 13.14 N ATOM 1416 CA ASN A 84 -3.047 -2.566 -6.137 1.00 42.35 C ATOM 1417 C ASN A 84 -3.791 -1.752 -5.071 1.00 1.31 C ATOM 1418 O ASN A 84 -4.328 -2.314 -4.113 1.00 62.43 O ATOM 1419 CB ASN A 84 -3.961 -3.700 -6.672 1.00 55.42 C ATOM 1420 CG ASN A 84 -3.331 -4.528 -7.800 1.00 2.45 C ATOM 1421 OD1 ASN A 84 -3.570 -5.717 -7.905 1.00 53.11 O ATOM 1422 ND2 ASN A 84 -2.563 -3.906 -8.677 1.00 20.51 N ATOM 0 H ASN A 84 -1.976 -3.899 -4.912 1.00 13.14 H new ATOM 0 HA ASN A 84 -2.782 -1.909 -6.966 1.00 42.35 H new ATOM 0 HB2 ASN A 84 -4.219 -4.365 -5.847 1.00 55.42 H new ATOM 0 HB3 ASN A 84 -4.892 -3.263 -7.032 1.00 55.42 H new ATOM 0 HD21 ASN A 84 -2.159 -4.423 -9.458 1.00 20.51 H new ATOM 0 HD22 ASN A 84 -2.374 -2.909 -8.573 1.00 20.51 H new ATOM 1429 N VAL A 85 -3.813 -0.423 -5.245 1.00 2.50 N ATOM 1430 CA VAL A 85 -4.466 0.509 -4.298 1.00 51.14 C ATOM 1431 C VAL A 85 -5.778 1.032 -4.920 1.00 40.14 C ATOM 1432 O VAL A 85 -5.803 1.401 -6.091 1.00 32.54 O ATOM 1433 CB VAL A 85 -3.512 1.709 -3.932 1.00 51.30 C ATOM 1434 CG1 VAL A 85 -4.165 2.648 -2.888 1.00 22.44 C ATOM 1435 CG2 VAL A 85 -2.131 1.196 -3.447 1.00 41.21 C ATOM 0 H VAL A 85 -3.381 0.042 -6.044 1.00 2.50 H new ATOM 0 HA VAL A 85 -4.689 -0.027 -3.375 1.00 51.14 H new ATOM 0 HB VAL A 85 -3.348 2.292 -4.838 1.00 51.30 H new ATOM 0 HG11 VAL A 85 -3.482 3.465 -2.656 1.00 22.44 H new ATOM 0 HG12 VAL A 85 -5.092 3.053 -3.293 1.00 22.44 H new ATOM 0 HG13 VAL A 85 -4.381 2.087 -1.979 1.00 22.44 H new ATOM 0 HG21 VAL A 85 -1.493 2.045 -3.201 1.00 41.21 H new ATOM 0 HG22 VAL A 85 -2.264 0.574 -2.562 1.00 41.21 H new ATOM 0 HG23 VAL A 85 -1.664 0.608 -4.237 1.00 41.21 H new ATOM 1445 N HIS A 86 -6.866 1.036 -4.128 1.00 50.20 N ATOM 1446 CA HIS A 86 -8.216 1.425 -4.583 1.00 42.03 C ATOM 1447 C HIS A 86 -8.811 2.373 -3.541 1.00 41.23 C ATOM 1448 O HIS A 86 -9.109 1.941 -2.429 1.00 42.53 O ATOM 1449 CB HIS A 86 -9.126 0.169 -4.723 1.00 65.31 C ATOM 1450 CG HIS A 86 -8.543 -0.946 -5.555 1.00 71.01 C ATOM 1451 ND1 HIS A 86 -8.772 -1.078 -6.901 1.00 42.41 N ATOM 1452 CD2 HIS A 86 -7.736 -1.986 -5.214 1.00 30.44 C ATOM 1453 CE1 HIS A 86 -8.142 -2.142 -7.350 1.00 73.12 C ATOM 1454 NE2 HIS A 86 -7.504 -2.711 -6.355 1.00 3.55 N ATOM 0 H HIS A 86 -6.834 0.767 -3.145 1.00 50.20 H new ATOM 0 HA HIS A 86 -8.152 1.912 -5.556 1.00 42.03 H new ATOM 0 HB2 HIS A 86 -9.345 -0.216 -3.727 1.00 65.31 H new ATOM 0 HB3 HIS A 86 -10.076 0.473 -5.163 1.00 65.31 H new ATOM 0 HD2 HIS A 86 -7.350 -2.201 -4.229 1.00 30.44 H new ATOM 0 HE1 HIS A 86 -8.149 -2.491 -8.372 1.00 73.12 H new ATOM 0 HE2 HIS A 86 -6.931 -3.552 -6.419 1.00 3.55 H new ATOM 1463 N SER A 87 -9.003 3.648 -3.905 1.00 65.12 N ATOM 1464 CA SER A 87 -9.428 4.680 -2.949 1.00 42.40 C ATOM 1465 C SER A 87 -10.059 5.881 -3.682 1.00 60.11 C ATOM 1466 O SER A 87 -9.434 6.454 -4.592 1.00 23.40 O ATOM 1467 CB SER A 87 -8.212 5.127 -2.109 1.00 23.34 C ATOM 1468 OG SER A 87 -8.573 6.044 -1.097 1.00 41.23 O ATOM 0 H SER A 87 -8.870 3.990 -4.857 1.00 65.12 H new ATOM 0 HA SER A 87 -10.187 4.264 -2.287 1.00 42.40 H new ATOM 0 HB2 SER A 87 -7.744 4.253 -1.656 1.00 23.34 H new ATOM 0 HB3 SER A 87 -7.469 5.583 -2.763 1.00 23.34 H new ATOM 0 HG SER A 87 -9.064 5.575 -0.391 1.00 41.23 H new ATOM 1474 N GLY A 88 -11.294 6.241 -3.270 1.00 22.32 N ATOM 1475 CA GLY A 88 -12.018 7.397 -3.819 1.00 42.40 C ATOM 1476 C GLY A 88 -12.436 7.234 -5.288 1.00 5.13 C ATOM 1477 O GLY A 88 -12.503 8.221 -6.036 1.00 51.21 O ATOM 0 H GLY A 88 -11.811 5.737 -2.550 1.00 22.32 H new ATOM 0 HA2 GLY A 88 -12.909 7.574 -3.216 1.00 42.40 H new ATOM 0 HA3 GLY A 88 -11.390 8.283 -3.727 1.00 42.40 H new ATOM 1481 N GLY A 89 -12.713 5.977 -5.688 1.00 34.24 N ATOM 1482 CA GLY A 89 -13.092 5.637 -7.070 1.00 75.31 C ATOM 1483 C GLY A 89 -11.906 5.526 -8.020 1.00 75.30 C ATOM 1484 O GLY A 89 -12.095 5.380 -9.232 1.00 12.23 O ATOM 0 H GLY A 89 -12.680 5.172 -5.062 1.00 34.24 H new ATOM 0 HA2 GLY A 89 -13.633 4.691 -7.067 1.00 75.31 H new ATOM 0 HA3 GLY A 89 -13.778 6.396 -7.446 1.00 75.31 H new ATOM 1488 N GLN A 90 -10.685 5.551 -7.462 1.00 24.33 N ATOM 1489 CA GLN A 90 -9.423 5.527 -8.233 1.00 62.42 C ATOM 1490 C GLN A 90 -8.666 4.207 -7.975 1.00 14.32 C ATOM 1491 O GLN A 90 -8.715 3.671 -6.873 1.00 31.42 O ATOM 1492 CB GLN A 90 -8.545 6.737 -7.815 1.00 64.23 C ATOM 1493 CG GLN A 90 -9.165 8.125 -8.084 1.00 15.50 C ATOM 1494 CD GLN A 90 -8.400 9.290 -7.419 1.00 73.44 C ATOM 1495 OE1 GLN A 90 -8.325 10.388 -7.965 1.00 34.22 O ATOM 1496 NE2 GLN A 90 -7.899 9.083 -6.204 1.00 40.41 N ATOM 0 H GLN A 90 -10.540 5.589 -6.453 1.00 24.33 H new ATOM 0 HA GLN A 90 -9.648 5.593 -9.297 1.00 62.42 H new ATOM 0 HB2 GLN A 90 -8.326 6.655 -6.750 1.00 64.23 H new ATOM 0 HB3 GLN A 90 -7.593 6.674 -8.342 1.00 64.23 H new ATOM 0 HG2 GLN A 90 -9.201 8.294 -9.160 1.00 15.50 H new ATOM 0 HG3 GLN A 90 -10.195 8.128 -7.726 1.00 15.50 H new ATOM 0 HE21 GLN A 90 -7.974 8.162 -5.772 1.00 40.41 H new ATOM 0 HE22 GLN A 90 -7.440 9.845 -5.705 1.00 40.41 H new ATOM 1505 N THR A 91 -7.961 3.700 -9.004 1.00 12.13 N ATOM 1506 CA THR A 91 -7.201 2.436 -8.936 1.00 23.15 C ATOM 1507 C THR A 91 -5.773 2.635 -9.501 1.00 1.43 C ATOM 1508 O THR A 91 -5.595 3.226 -10.575 1.00 12.53 O ATOM 1509 CB THR A 91 -7.957 1.314 -9.727 1.00 61.00 C ATOM 1510 OG1 THR A 91 -9.206 1.021 -9.076 1.00 71.44 O ATOM 1511 CG2 THR A 91 -7.140 0.019 -9.868 1.00 32.32 C ATOM 0 H THR A 91 -7.902 4.159 -9.913 1.00 12.13 H new ATOM 0 HA THR A 91 -7.116 2.130 -7.893 1.00 23.15 H new ATOM 0 HB THR A 91 -8.126 1.698 -10.733 1.00 61.00 H new ATOM 0 HG1 THR A 91 -9.065 0.335 -8.391 1.00 71.44 H new ATOM 0 HG21 THR A 91 -7.719 -0.718 -10.425 1.00 32.32 H new ATOM 0 HG22 THR A 91 -6.213 0.230 -10.401 1.00 32.32 H new ATOM 0 HG23 THR A 91 -6.908 -0.375 -8.878 1.00 32.32 H new ATOM 1519 N TRP A 92 -4.765 2.140 -8.756 1.00 64.20 N ATOM 1520 CA TRP A 92 -3.342 2.182 -9.155 1.00 21.43 C ATOM 1521 C TRP A 92 -2.731 0.780 -9.065 1.00 3.41 C ATOM 1522 O TRP A 92 -3.169 -0.048 -8.260 1.00 75.41 O ATOM 1523 CB TRP A 92 -2.534 3.133 -8.242 1.00 31.41 C ATOM 1524 CG TRP A 92 -3.004 4.565 -8.261 1.00 74.14 C ATOM 1525 CD1 TRP A 92 -2.639 5.547 -9.142 1.00 34.14 C ATOM 1526 CD2 TRP A 92 -3.923 5.169 -7.346 1.00 11.22 C ATOM 1527 NE1 TRP A 92 -3.280 6.715 -8.830 1.00 34.15 N ATOM 1528 CE2 TRP A 92 -4.072 6.509 -7.733 1.00 0.20 C ATOM 1529 CE3 TRP A 92 -4.638 4.699 -6.241 1.00 4.33 C ATOM 1530 CZ2 TRP A 92 -4.896 7.386 -7.050 1.00 13.14 C ATOM 1531 CZ3 TRP A 92 -5.456 5.571 -5.562 1.00 61.21 C ATOM 1532 CH2 TRP A 92 -5.579 6.901 -5.970 1.00 34.35 C ATOM 0 H TRP A 92 -4.916 1.695 -7.851 1.00 64.20 H new ATOM 0 HA TRP A 92 -3.296 2.549 -10.180 1.00 21.43 H new ATOM 0 HB2 TRP A 92 -2.582 2.761 -7.218 1.00 31.41 H new ATOM 0 HB3 TRP A 92 -1.487 3.103 -8.543 1.00 31.41 H new ATOM 0 HD1 TRP A 92 -1.948 5.419 -9.962 1.00 34.14 H new ATOM 0 HE1 TRP A 92 -3.183 7.597 -9.334 1.00 34.15 H new ATOM 0 HE3 TRP A 92 -4.550 3.670 -5.926 1.00 4.33 H new ATOM 0 HZ2 TRP A 92 -4.996 8.416 -7.359 1.00 13.14 H new ATOM 0 HZ3 TRP A 92 -6.010 5.223 -4.703 1.00 61.21 H new ATOM 0 HH2 TRP A 92 -6.230 7.563 -5.418 1.00 34.35 H new ATOM 1543 N THR A 93 -1.710 0.531 -9.905 1.00 52.31 N ATOM 1544 CA THR A 93 -0.939 -0.721 -9.898 1.00 1.14 C ATOM 1545 C THR A 93 0.570 -0.398 -9.970 1.00 23.35 C ATOM 1546 O THR A 93 1.086 -0.012 -11.026 1.00 45.21 O ATOM 1547 CB THR A 93 -1.381 -1.637 -11.091 1.00 30.33 C ATOM 1548 OG1 THR A 93 -2.789 -1.903 -10.983 1.00 13.24 O ATOM 1549 CG2 THR A 93 -0.622 -2.978 -11.138 1.00 72.45 C ATOM 0 H THR A 93 -1.397 1.198 -10.611 1.00 52.31 H new ATOM 0 HA THR A 93 -1.133 -1.263 -8.973 1.00 1.14 H new ATOM 0 HB THR A 93 -1.146 -1.100 -12.010 1.00 30.33 H new ATOM 0 HG1 THR A 93 -3.072 -2.474 -11.727 1.00 13.24 H new ATOM 0 HG21 THR A 93 -0.974 -3.566 -11.986 1.00 72.45 H new ATOM 0 HG22 THR A 93 0.446 -2.788 -11.246 1.00 72.45 H new ATOM 0 HG23 THR A 93 -0.801 -3.530 -10.215 1.00 72.45 H new ATOM 1557 N PHE A 94 1.259 -0.533 -8.827 1.00 14.23 N ATOM 1558 CA PHE A 94 2.713 -0.318 -8.728 1.00 12.15 C ATOM 1559 C PHE A 94 3.441 -1.677 -8.738 1.00 25.22 C ATOM 1560 O PHE A 94 3.368 -2.438 -7.771 1.00 45.23 O ATOM 1561 CB PHE A 94 3.056 0.498 -7.447 1.00 65.52 C ATOM 1562 CG PHE A 94 2.567 1.951 -7.490 1.00 15.12 C ATOM 1563 CD1 PHE A 94 1.267 2.286 -7.109 1.00 24.22 C ATOM 1564 CD2 PHE A 94 3.411 2.981 -7.920 1.00 3.41 C ATOM 1565 CE1 PHE A 94 0.833 3.597 -7.156 1.00 43.15 C ATOM 1566 CE2 PHE A 94 2.970 4.295 -7.967 1.00 24.13 C ATOM 1567 CZ PHE A 94 1.680 4.601 -7.582 1.00 63.54 C ATOM 0 H PHE A 94 0.824 -0.795 -7.942 1.00 14.23 H new ATOM 0 HA PHE A 94 3.051 0.260 -9.588 1.00 12.15 H new ATOM 0 HB2 PHE A 94 2.616 0.002 -6.582 1.00 65.52 H new ATOM 0 HB3 PHE A 94 4.136 0.492 -7.302 1.00 65.52 H new ATOM 0 HD1 PHE A 94 0.593 1.512 -6.774 1.00 24.22 H new ATOM 0 HD2 PHE A 94 4.422 2.749 -8.220 1.00 3.41 H new ATOM 0 HE1 PHE A 94 -0.176 3.838 -6.857 1.00 43.15 H new ATOM 0 HE2 PHE A 94 3.634 5.077 -8.304 1.00 24.13 H new ATOM 0 HZ PHE A 94 1.334 5.624 -7.614 1.00 63.54 H new ATOM 1577 N ASN A 95 4.129 -1.958 -9.851 1.00 13.00 N ATOM 1578 CA ASN A 95 4.887 -3.204 -10.061 1.00 1.21 C ATOM 1579 C ASN A 95 6.185 -2.866 -10.808 1.00 54.53 C ATOM 1580 O ASN A 95 6.214 -1.923 -11.604 1.00 14.21 O ATOM 1581 CB ASN A 95 4.035 -4.234 -10.857 1.00 73.33 C ATOM 1582 CG ASN A 95 3.642 -3.752 -12.258 1.00 15.32 C ATOM 1583 OD1 ASN A 95 4.309 -4.053 -13.245 1.00 31.33 O ATOM 1584 ND2 ASN A 95 2.604 -2.941 -12.337 1.00 70.31 N ATOM 0 H ASN A 95 4.177 -1.319 -10.644 1.00 13.00 H new ATOM 0 HA ASN A 95 5.130 -3.657 -9.100 1.00 1.21 H new ATOM 0 HB2 ASN A 95 4.595 -5.165 -10.946 1.00 73.33 H new ATOM 0 HB3 ASN A 95 3.130 -4.459 -10.292 1.00 73.33 H new ATOM 0 HD21 ASN A 95 2.334 -2.544 -13.237 1.00 70.31 H new ATOM 0 HD22 ASN A 95 2.071 -2.711 -11.498 1.00 70.31 H new ATOM 1591 N GLU A 96 7.259 -3.623 -10.552 1.00 12.31 N ATOM 1592 CA GLU A 96 8.574 -3.352 -11.162 1.00 22.43 C ATOM 1593 C GLU A 96 8.780 -4.216 -12.412 1.00 60.01 C ATOM 1594 O GLU A 96 8.672 -5.439 -12.346 1.00 15.32 O ATOM 1595 CB GLU A 96 9.696 -3.560 -10.110 1.00 14.21 C ATOM 1596 CG GLU A 96 9.562 -2.631 -8.876 1.00 51.04 C ATOM 1597 CD GLU A 96 9.334 -1.145 -9.249 1.00 35.21 C ATOM 1598 OE1 GLU A 96 8.216 -0.611 -9.031 1.00 64.33 O ATOM 1599 OE2 GLU A 96 10.258 -0.514 -9.803 1.00 13.21 O ATOM 0 H GLU A 96 7.247 -4.429 -9.927 1.00 12.31 H new ATOM 0 HA GLU A 96 8.615 -2.313 -11.488 1.00 22.43 H new ATOM 0 HB2 GLU A 96 9.684 -4.598 -9.777 1.00 14.21 H new ATOM 0 HB3 GLU A 96 10.663 -3.388 -10.582 1.00 14.21 H new ATOM 0 HG2 GLU A 96 8.732 -2.975 -8.259 1.00 51.04 H new ATOM 0 HG3 GLU A 96 10.464 -2.712 -8.270 1.00 51.04 H new ATOM 1606 N LYS A 97 9.062 -3.539 -13.539 1.00 62.42 N ATOM 1607 CA LYS A 97 9.246 -4.168 -14.853 1.00 4.02 C ATOM 1608 C LYS A 97 10.757 -4.436 -15.057 1.00 51.43 C ATOM 1609 O LYS A 97 11.190 -5.592 -14.904 1.00 14.54 O ATOM 1610 CB LYS A 97 8.679 -3.258 -16.005 1.00 33.32 C ATOM 1611 CG LYS A 97 7.131 -3.078 -16.051 1.00 55.54 C ATOM 1612 CD LYS A 97 6.550 -2.237 -14.889 1.00 63.40 C ATOM 1613 CE LYS A 97 7.068 -0.787 -14.868 1.00 25.01 C ATOM 1614 NZ LYS A 97 6.564 -0.032 -13.685 1.00 42.22 N ATOM 1615 OXT LYS A 97 11.509 -3.471 -15.323 1.00 37.85 O ATOM 0 H LYS A 97 9.169 -2.525 -13.560 1.00 62.42 H new ATOM 0 HA LYS A 97 8.693 -5.107 -14.888 1.00 4.02 H new ATOM 0 HB2 LYS A 97 9.135 -2.272 -15.916 1.00 33.32 H new ATOM 0 HB3 LYS A 97 9.003 -3.674 -16.959 1.00 33.32 H new ATOM 0 HG2 LYS A 97 6.860 -2.606 -16.996 1.00 55.54 H new ATOM 0 HG3 LYS A 97 6.663 -4.062 -16.041 1.00 55.54 H new ATOM 0 HD2 LYS A 97 5.463 -2.226 -14.966 1.00 63.40 H new ATOM 0 HD3 LYS A 97 6.798 -2.718 -13.943 1.00 63.40 H new ATOM 0 HE2 LYS A 97 8.158 -0.791 -14.858 1.00 25.01 H new ATOM 0 HE3 LYS A 97 6.760 -0.278 -15.781 1.00 25.01 H new ATOM 0 HZ1 LYS A 97 7.254 0.700 -13.421 1.00 42.22 H new ATOM 0 HZ2 LYS A 97 5.656 0.417 -13.921 1.00 42.22 H new ATOM 0 HZ3 LYS A 97 6.430 -0.686 -12.887 1.00 42.22 H new TER 1629 LYS A 97