USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1051 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 TYR OH : rot 130:sc= -0.027 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -109:sc= 1.83 (180deg=-0.0752) USER MOD Set 2.2: A 100 GLN : amide:sc= 0.194 K(o=2,f=-6.7!) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.574 K(o=0.8,f=-3.3) USER MOD Set 3.2: A 59 ASN : amide:sc= 0.224 K(o=0.8,f=-3!) USER MOD Set 4.1: A 9 THR OG1 : rot -98:sc= 0.117 USER MOD Set 4.2: A 83 GLN :FLIP amide:sc= -0.211 F(o=-0.8,f=-0.094) USER MOD Set 5.1: A 2 LYS NZ :NH3+ 173:sc= 1.61 (180deg=0.691) USER MOD Set 5.2: A 76 TYR OH : rot -153:sc= 1.92 USER MOD Single : A 8 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.7!) USER MOD Single : A 11 ASN : amide:sc= 0.0634 K(o=0.063,f=-5.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.201) USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= 0.711 (180deg=-0.298) USER MOD Single : A 20 LYS NZ :NH3+ 149:sc= 0.206 (180deg=0.0112) USER MOD Single : A 24 ASN : amide:sc= 0.548 K(o=0.55,f=-0.033) USER MOD Single : A 25 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.97) USER MOD Single : A 27 TYR OH : rot 15:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00218 K(o=-0.0022,f=-1.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -159:sc= -0.0681 (180deg=-0.608) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0601) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00725) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.107) USER MOD Single : A 58 SER OG : rot 44:sc= 0.0749 USER MOD Single : A 61 LYS NZ :NH3+ -125:sc= 1.43 (180deg=-0.771!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -125:sc= -0.32 (180deg=-0.774) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00252) USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.614 (180deg=-1.22) USER MOD Single : A 85 GLN : amide:sc=-0.00383 X(o=-0.0038,f=-0.17) USER MOD Single : A 88 ASN : amide:sc= -0.0199 X(o=-0.02,f=0.16) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 145:sc= 0.111 (180deg=-0.14) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 150:sc= 0.0928 (180deg=-0.601) USER MOD Single : A 108 THR OG1 : rot -146:sc= 0.336 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -148:sc= 0 (180deg=-0.518) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.206 6.902 4.124 1.00 1.45 N ATOM 21 CA LYS A 2 -11.553 5.634 3.786 1.00 21.24 C ATOM 22 C LYS A 2 -10.041 5.861 3.714 1.00 65.22 C ATOM 23 O LYS A 2 -9.571 6.730 2.966 1.00 21.51 O ATOM 24 CB LYS A 2 -12.067 5.061 2.438 1.00 52.44 C ATOM 25 CG LYS A 2 -13.549 4.628 2.453 1.00 13.31 C ATOM 26 CD LYS A 2 -13.959 3.858 1.180 1.00 14.41 C ATOM 27 CE LYS A 2 -13.782 4.675 -0.111 1.00 2.34 C ATOM 28 NZ LYS A 2 -14.516 5.970 -0.054 1.00 23.31 N ATOM 0 HA LYS A 2 -11.792 4.905 4.561 1.00 21.24 H new ATOM 0 HB2 LYS A 2 -11.929 5.813 1.661 1.00 52.44 H new ATOM 0 HB3 LYS A 2 -11.453 4.203 2.164 1.00 52.44 H new ATOM 0 HG2 LYS A 2 -13.731 4.001 3.326 1.00 13.31 H new ATOM 0 HG3 LYS A 2 -14.180 5.511 2.557 1.00 13.31 H new ATOM 0 HD2 LYS A 2 -13.366 2.946 1.109 1.00 14.41 H new ATOM 0 HD3 LYS A 2 -15.002 3.553 1.268 1.00 14.41 H new ATOM 0 HE2 LYS A 2 -12.722 4.866 -0.277 1.00 2.34 H new ATOM 0 HE3 LYS A 2 -14.138 4.093 -0.961 1.00 2.34 H new ATOM 0 HZ1 LYS A 2 -14.277 6.542 -0.889 1.00 23.31 H new ATOM 0 HZ2 LYS A 2 -15.540 5.788 -0.040 1.00 23.31 H new ATOM 0 HZ3 LYS A 2 -14.244 6.485 0.807 1.00 23.31 H new ATOM 42 N GLU A 3 -9.303 5.091 4.515 1.00 25.44 N ATOM 43 CA GLU A 3 -7.837 5.112 4.528 1.00 42.44 C ATOM 44 C GLU A 3 -7.324 4.051 3.541 1.00 22.01 C ATOM 45 O GLU A 3 -7.626 2.858 3.678 1.00 42.11 O ATOM 46 CB GLU A 3 -7.270 4.858 5.956 1.00 53.24 C ATOM 47 CG GLU A 3 -7.601 5.931 7.019 1.00 12.01 C ATOM 48 CD GLU A 3 -9.068 5.939 7.475 1.00 75.43 C ATOM 49 OE1 GLU A 3 -9.442 5.074 8.296 1.00 1.31 O ATOM 50 OE2 GLU A 3 -9.848 6.806 7.028 1.00 33.31 O ATOM 0 H GLU A 3 -9.707 4.430 5.178 1.00 25.44 H new ATOM 0 HA GLU A 3 -7.493 6.101 4.225 1.00 42.44 H new ATOM 0 HB2 GLU A 3 -7.646 3.898 6.309 1.00 53.24 H new ATOM 0 HB3 GLU A 3 -6.186 4.769 5.884 1.00 53.24 H new ATOM 0 HG2 GLU A 3 -6.963 5.773 7.889 1.00 12.01 H new ATOM 0 HG3 GLU A 3 -7.353 6.913 6.616 1.00 12.01 H new ATOM 57 N LEU A 4 -6.555 4.508 2.549 1.00 12.15 N ATOM 58 CA LEU A 4 -6.012 3.664 1.479 1.00 51.02 C ATOM 59 C LEU A 4 -4.549 3.354 1.818 1.00 41.55 C ATOM 60 O LEU A 4 -3.708 4.251 1.824 1.00 63.22 O ATOM 61 CB LEU A 4 -6.151 4.388 0.101 1.00 0.34 C ATOM 62 CG LEU A 4 -7.500 4.172 -0.685 1.00 14.42 C ATOM 63 CD1 LEU A 4 -7.604 2.726 -1.213 1.00 71.31 C ATOM 64 CD2 LEU A 4 -8.752 4.553 0.156 1.00 62.23 C ATOM 0 H LEU A 4 -6.288 5.489 2.465 1.00 12.15 H new ATOM 0 HA LEU A 4 -6.566 2.728 1.402 1.00 51.02 H new ATOM 0 HB2 LEU A 4 -6.022 5.458 0.265 1.00 0.34 H new ATOM 0 HB3 LEU A 4 -5.330 4.062 -0.538 1.00 0.34 H new ATOM 0 HG LEU A 4 -7.480 4.851 -1.537 1.00 14.42 H new ATOM 0 HD11 LEU A 4 -8.543 2.602 -1.752 1.00 71.31 H new ATOM 0 HD12 LEU A 4 -6.771 2.523 -1.886 1.00 71.31 H new ATOM 0 HD13 LEU A 4 -7.572 2.030 -0.375 1.00 71.31 H new ATOM 0 HD21 LEU A 4 -9.652 4.384 -0.435 1.00 62.23 H new ATOM 0 HD22 LEU A 4 -8.787 3.938 1.055 1.00 62.23 H new ATOM 0 HD23 LEU A 4 -8.695 5.604 0.438 1.00 62.23 H new ATOM 76 N ILE A 5 -4.270 2.081 2.117 1.00 1.52 N ATOM 77 CA ILE A 5 -2.932 1.607 2.520 1.00 44.24 C ATOM 78 C ILE A 5 -2.299 0.824 1.356 1.00 74.03 C ATOM 79 O ILE A 5 -2.815 -0.208 0.942 1.00 12.43 O ATOM 80 CB ILE A 5 -3.007 0.734 3.840 1.00 25.14 C ATOM 81 CG1 ILE A 5 -1.635 0.048 4.166 1.00 45.14 C ATOM 82 CG2 ILE A 5 -4.160 -0.292 3.781 1.00 70.32 C ATOM 83 CD1 ILE A 5 -1.619 -0.810 5.431 1.00 33.44 C ATOM 0 H ILE A 5 -4.970 1.340 2.087 1.00 1.52 H new ATOM 0 HA ILE A 5 -2.301 2.466 2.748 1.00 44.24 H new ATOM 0 HB ILE A 5 -3.225 1.416 4.662 1.00 25.14 H new ATOM 0 HG12 ILE A 5 -1.349 -0.576 3.319 1.00 45.14 H new ATOM 0 HG13 ILE A 5 -0.874 0.822 4.262 1.00 45.14 H new ATOM 0 HG21 ILE A 5 -4.179 -0.872 4.704 1.00 70.32 H new ATOM 0 HG22 ILE A 5 -5.108 0.233 3.662 1.00 70.32 H new ATOM 0 HG23 ILE A 5 -4.008 -0.962 2.935 1.00 70.32 H new ATOM 0 HD11 ILE A 5 -0.626 -1.239 5.567 1.00 33.44 H new ATOM 0 HD12 ILE A 5 -1.868 -0.192 6.293 1.00 33.44 H new ATOM 0 HD13 ILE A 5 -2.351 -1.612 5.336 1.00 33.44 H new ATOM 95 N LEU A 6 -1.190 1.352 0.825 1.00 44.34 N ATOM 96 CA LEU A 6 -0.463 0.773 -0.310 1.00 54.23 C ATOM 97 C LEU A 6 0.778 0.055 0.228 1.00 42.25 C ATOM 98 O LEU A 6 1.596 0.671 0.900 1.00 60.24 O ATOM 99 CB LEU A 6 -0.045 1.876 -1.327 1.00 63.24 C ATOM 100 CG LEU A 6 -1.196 2.669 -2.053 1.00 1.31 C ATOM 101 CD1 LEU A 6 -1.903 3.688 -1.127 1.00 51.21 C ATOM 102 CD2 LEU A 6 -0.662 3.352 -3.329 1.00 41.45 C ATOM 0 H LEU A 6 -0.765 2.209 1.179 1.00 44.34 H new ATOM 0 HA LEU A 6 -1.110 0.069 -0.834 1.00 54.23 H new ATOM 0 HB2 LEU A 6 0.581 2.597 -0.802 1.00 63.24 H new ATOM 0 HB3 LEU A 6 0.577 1.410 -2.092 1.00 63.24 H new ATOM 0 HG LEU A 6 -1.954 1.939 -2.337 1.00 1.31 H new ATOM 0 HD11 LEU A 6 -2.686 4.203 -1.684 1.00 51.21 H new ATOM 0 HD12 LEU A 6 -2.345 3.164 -0.280 1.00 51.21 H new ATOM 0 HD13 LEU A 6 -1.177 4.416 -0.765 1.00 51.21 H new ATOM 0 HD21 LEU A 6 -1.471 3.895 -3.817 1.00 41.45 H new ATOM 0 HD22 LEU A 6 0.133 4.048 -3.063 1.00 41.45 H new ATOM 0 HD23 LEU A 6 -0.270 2.596 -4.010 1.00 41.45 H new ATOM 114 N ILE A 7 0.894 -1.255 -0.033 1.00 34.13 N ATOM 115 CA ILE A 7 2.060 -2.055 0.382 1.00 22.23 C ATOM 116 C ILE A 7 3.003 -2.242 -0.820 1.00 11.44 C ATOM 117 O ILE A 7 2.552 -2.568 -1.910 1.00 10.51 O ATOM 118 CB ILE A 7 1.672 -3.475 1.000 1.00 5.11 C ATOM 119 CG1 ILE A 7 0.894 -3.352 2.363 1.00 31.41 C ATOM 120 CG2 ILE A 7 2.935 -4.350 1.208 1.00 2.21 C ATOM 121 CD1 ILE A 7 -0.526 -2.838 2.260 1.00 12.55 C ATOM 0 H ILE A 7 0.186 -1.790 -0.536 1.00 34.13 H new ATOM 0 HA ILE A 7 2.558 -1.503 1.179 1.00 22.23 H new ATOM 0 HB ILE A 7 1.008 -3.950 0.278 1.00 5.11 H new ATOM 0 HG12 ILE A 7 0.873 -4.332 2.839 1.00 31.41 H new ATOM 0 HG13 ILE A 7 1.455 -2.689 3.022 1.00 31.41 H new ATOM 0 HG21 ILE A 7 2.645 -5.312 1.630 1.00 2.21 H new ATOM 0 HG22 ILE A 7 3.430 -4.508 0.250 1.00 2.21 H new ATOM 0 HG23 ILE A 7 3.619 -3.846 1.891 1.00 2.21 H new ATOM 0 HD11 ILE A 7 -0.969 -2.792 3.255 1.00 12.55 H new ATOM 0 HD12 ILE A 7 -0.521 -1.841 1.819 1.00 12.55 H new ATOM 0 HD13 ILE A 7 -1.111 -3.510 1.632 1.00 12.55 H new ATOM 133 N ASN A 8 4.311 -2.006 -0.610 1.00 14.25 N ATOM 134 CA ASN A 8 5.362 -2.370 -1.563 1.00 24.52 C ATOM 135 C ASN A 8 5.977 -3.679 -1.085 1.00 55.33 C ATOM 136 O ASN A 8 6.523 -3.723 0.013 1.00 60.25 O ATOM 137 CB ASN A 8 6.475 -1.287 -1.633 1.00 21.54 C ATOM 138 CG ASN A 8 7.532 -1.552 -2.720 1.00 73.45 C ATOM 139 OD1 ASN A 8 7.110 -2.087 -3.868 1.00 40.44 O flip ATOM 140 ND2 ASN A 8 8.712 -1.229 -2.550 1.00 53.40 N flip ATOM 0 H ASN A 8 4.665 -1.554 0.233 1.00 14.25 H new ATOM 0 HA ASN A 8 4.927 -2.463 -2.558 1.00 24.52 H new ATOM 0 HB2 ASN A 8 6.014 -0.317 -1.817 1.00 21.54 H new ATOM 0 HB3 ASN A 8 6.971 -1.226 -0.664 1.00 21.54 H new ATOM 0 HD21 ASN A 8 9.007 -0.822 -1.662 1.00 53.40 H new ATOM 0 HD22 ASN A 8 9.392 -1.369 -3.297 1.00 53.40 H new ATOM 147 N THR A 9 5.790 -4.755 -1.840 1.00 21.12 N ATOM 148 CA THR A 9 6.500 -6.020 -1.620 1.00 64.30 C ATOM 149 C THR A 9 6.704 -6.726 -2.963 1.00 63.32 C ATOM 150 O THR A 9 5.738 -7.033 -3.674 1.00 14.31 O ATOM 151 CB THR A 9 5.774 -6.943 -0.574 1.00 51.02 C ATOM 152 OG1 THR A 9 6.380 -8.246 -0.536 1.00 32.32 O ATOM 153 CG2 THR A 9 4.265 -7.067 -0.824 1.00 4.14 C ATOM 0 H THR A 9 5.140 -4.780 -2.626 1.00 21.12 H new ATOM 0 HA THR A 9 7.475 -5.797 -1.186 1.00 64.30 H new ATOM 0 HB THR A 9 5.895 -6.459 0.395 1.00 51.02 H new ATOM 0 HG1 THR A 9 5.856 -8.867 -1.084 1.00 32.32 H new ATOM 0 HG21 THR A 9 3.823 -7.717 -0.069 1.00 4.14 H new ATOM 0 HG22 THR A 9 3.805 -6.081 -0.768 1.00 4.14 H new ATOM 0 HG23 THR A 9 4.094 -7.492 -1.813 1.00 4.14 H new ATOM 161 N ASN A 10 7.978 -6.915 -3.338 1.00 31.23 N ATOM 162 CA ASN A 10 8.361 -7.742 -4.494 1.00 24.32 C ATOM 163 C ASN A 10 8.620 -9.191 -4.048 1.00 70.12 C ATOM 164 O ASN A 10 8.954 -10.047 -4.873 1.00 4.52 O ATOM 165 CB ASN A 10 9.602 -7.156 -5.218 1.00 1.25 C ATOM 166 CG ASN A 10 9.390 -5.739 -5.767 1.00 21.22 C ATOM 167 OD1 ASN A 10 8.637 -4.940 -5.206 1.00 74.43 O ATOM 168 ND2 ASN A 10 10.048 -5.409 -6.875 1.00 44.52 N ATOM 0 H ASN A 10 8.771 -6.500 -2.850 1.00 31.23 H new ATOM 0 HA ASN A 10 7.534 -7.739 -5.205 1.00 24.32 H new ATOM 0 HB2 ASN A 10 10.443 -7.144 -4.525 1.00 1.25 H new ATOM 0 HB3 ASN A 10 9.876 -7.817 -6.041 1.00 1.25 H new ATOM 0 HD21 ASN A 10 9.935 -4.479 -7.277 1.00 44.52 H new ATOM 0 HD22 ASN A 10 10.666 -6.086 -7.322 1.00 44.52 H new ATOM 175 N ASN A 11 8.477 -9.452 -2.726 1.00 70.32 N ATOM 176 CA ASN A 11 8.554 -10.805 -2.166 1.00 23.22 C ATOM 177 C ASN A 11 7.161 -11.452 -2.296 1.00 71.42 C ATOM 178 O ASN A 11 6.258 -11.182 -1.490 1.00 12.24 O ATOM 179 CB ASN A 11 9.056 -10.784 -0.692 1.00 75.04 C ATOM 180 CG ASN A 11 9.238 -12.200 -0.110 1.00 64.02 C ATOM 181 OD1 ASN A 11 8.354 -12.740 0.545 1.00 44.33 O ATOM 182 ND2 ASN A 11 10.369 -12.828 -0.387 1.00 74.02 N ATOM 0 H ASN A 11 8.306 -8.728 -2.028 1.00 70.32 H new ATOM 0 HA ASN A 11 9.283 -11.399 -2.718 1.00 23.22 H new ATOM 0 HB2 ASN A 11 10.005 -10.250 -0.642 1.00 75.04 H new ATOM 0 HB3 ASN A 11 8.346 -10.231 -0.078 1.00 75.04 H new ATOM 0 HD21 ASN A 11 10.518 -13.780 -0.054 1.00 74.02 H new ATOM 0 HD22 ASN A 11 11.092 -12.360 -0.934 1.00 74.02 H new ATOM 189 N ASP A 12 7.009 -12.267 -3.366 1.00 50.12 N ATOM 190 CA ASP A 12 5.749 -12.951 -3.756 1.00 42.12 C ATOM 191 C ASP A 12 5.123 -13.732 -2.595 1.00 22.21 C ATOM 192 O ASP A 12 3.896 -13.738 -2.427 1.00 73.34 O ATOM 193 CB ASP A 12 6.033 -13.921 -4.929 1.00 11.22 C ATOM 194 CG ASP A 12 4.758 -14.529 -5.538 1.00 64.45 C ATOM 195 OD1 ASP A 12 4.059 -13.811 -6.281 1.00 33.23 O ATOM 196 OD2 ASP A 12 4.447 -15.719 -5.288 1.00 52.02 O ATOM 0 H ASP A 12 7.780 -12.474 -4.001 1.00 50.12 H new ATOM 0 HA ASP A 12 5.038 -12.181 -4.055 1.00 42.12 H new ATOM 0 HB2 ASP A 12 6.581 -13.389 -5.707 1.00 11.22 H new ATOM 0 HB3 ASP A 12 6.679 -14.726 -4.578 1.00 11.22 H new ATOM 201 N GLU A 13 6.011 -14.359 -1.804 1.00 4.32 N ATOM 202 CA GLU A 13 5.655 -15.210 -0.664 1.00 31.51 C ATOM 203 C GLU A 13 4.861 -14.400 0.373 1.00 74.13 C ATOM 204 O GLU A 13 3.788 -14.819 0.822 1.00 4.20 O ATOM 205 CB GLU A 13 6.942 -15.792 -0.017 1.00 33.01 C ATOM 206 CG GLU A 13 7.874 -16.530 -0.999 1.00 31.52 C ATOM 207 CD GLU A 13 9.219 -16.892 -0.362 1.00 4.44 C ATOM 208 OE1 GLU A 13 10.097 -16.002 -0.268 1.00 5.14 O ATOM 209 OE2 GLU A 13 9.397 -18.049 0.083 1.00 23.31 O ATOM 0 H GLU A 13 7.018 -14.284 -1.946 1.00 4.32 H new ATOM 0 HA GLU A 13 5.033 -16.033 -1.016 1.00 31.51 H new ATOM 0 HB2 GLU A 13 7.498 -14.979 0.450 1.00 33.01 H new ATOM 0 HB3 GLU A 13 6.655 -16.480 0.778 1.00 33.01 H new ATOM 0 HG2 GLU A 13 7.384 -17.439 -1.349 1.00 31.52 H new ATOM 0 HG3 GLU A 13 8.046 -15.903 -1.874 1.00 31.52 H new ATOM 216 N LEU A 14 5.399 -13.203 0.688 1.00 72.13 N ATOM 217 CA LEU A 14 4.806 -12.267 1.646 1.00 31.31 C ATOM 218 C LEU A 14 3.473 -11.698 1.116 1.00 51.14 C ATOM 219 O LEU A 14 2.547 -11.541 1.901 1.00 73.14 O ATOM 220 CB LEU A 14 5.793 -11.117 1.972 1.00 24.50 C ATOM 221 CG LEU A 14 5.228 -9.965 2.870 1.00 32.35 C ATOM 222 CD1 LEU A 14 4.746 -10.455 4.253 1.00 31.34 C ATOM 223 CD2 LEU A 14 6.243 -8.834 3.010 1.00 22.12 C ATOM 0 H LEU A 14 6.267 -12.862 0.275 1.00 72.13 H new ATOM 0 HA LEU A 14 4.599 -12.817 2.564 1.00 31.31 H new ATOM 0 HB2 LEU A 14 6.666 -11.543 2.467 1.00 24.50 H new ATOM 0 HB3 LEU A 14 6.139 -10.684 1.033 1.00 24.50 H new ATOM 0 HG LEU A 14 4.346 -9.580 2.359 1.00 32.35 H new ATOM 0 HD11 LEU A 14 4.366 -9.609 4.827 1.00 31.34 H new ATOM 0 HD12 LEU A 14 3.952 -11.190 4.122 1.00 31.34 H new ATOM 0 HD13 LEU A 14 5.579 -10.911 4.788 1.00 31.34 H new ATOM 0 HD21 LEU A 14 5.826 -8.047 3.638 1.00 22.12 H new ATOM 0 HD22 LEU A 14 7.155 -9.218 3.467 1.00 22.12 H new ATOM 0 HD23 LEU A 14 6.474 -8.428 2.025 1.00 22.12 H new ATOM 235 N ILE A 15 3.388 -11.409 -0.212 1.00 61.50 N ATOM 236 CA ILE A 15 2.146 -10.879 -0.849 1.00 20.13 C ATOM 237 C ILE A 15 0.940 -11.791 -0.514 1.00 45.22 C ATOM 238 O ILE A 15 -0.119 -11.311 -0.095 1.00 21.34 O ATOM 239 CB ILE A 15 2.271 -10.749 -2.426 1.00 13.44 C ATOM 240 CG1 ILE A 15 3.512 -9.886 -2.822 1.00 44.45 C ATOM 241 CG2 ILE A 15 0.971 -10.153 -3.038 1.00 1.05 C ATOM 242 CD1 ILE A 15 3.778 -9.748 -4.314 1.00 20.10 C ATOM 0 H ILE A 15 4.163 -11.534 -0.863 1.00 61.50 H new ATOM 0 HA ILE A 15 1.993 -9.879 -0.442 1.00 20.13 H new ATOM 0 HB ILE A 15 2.412 -11.750 -2.833 1.00 13.44 H new ATOM 0 HG12 ILE A 15 3.385 -8.888 -2.402 1.00 44.45 H new ATOM 0 HG13 ILE A 15 4.396 -10.319 -2.354 1.00 44.45 H new ATOM 0 HG21 ILE A 15 1.081 -10.074 -4.120 1.00 1.05 H new ATOM 0 HG22 ILE A 15 0.128 -10.804 -2.806 1.00 1.05 H new ATOM 0 HG23 ILE A 15 0.792 -9.163 -2.618 1.00 1.05 H new ATOM 0 HD11 ILE A 15 4.662 -9.129 -4.470 1.00 20.10 H new ATOM 0 HD12 ILE A 15 3.945 -10.734 -4.747 1.00 20.10 H new ATOM 0 HD13 ILE A 15 2.919 -9.281 -4.795 1.00 20.10 H new ATOM 254 N LYS A 16 1.168 -13.117 -0.642 1.00 0.02 N ATOM 255 CA LYS A 16 0.151 -14.156 -0.367 1.00 14.25 C ATOM 256 C LYS A 16 -0.295 -14.118 1.111 1.00 0.24 C ATOM 257 O LYS A 16 -1.496 -14.215 1.416 1.00 1.21 O ATOM 258 CB LYS A 16 0.702 -15.572 -0.707 1.00 5.13 C ATOM 259 CG LYS A 16 1.323 -15.708 -2.113 1.00 4.33 C ATOM 260 CD LYS A 16 0.389 -15.229 -3.251 1.00 31.13 C ATOM 261 CE LYS A 16 1.047 -15.360 -4.633 1.00 1.40 C ATOM 262 NZ LYS A 16 0.152 -14.890 -5.721 1.00 5.10 N ATOM 0 H LYS A 16 2.066 -13.498 -0.940 1.00 0.02 H new ATOM 0 HA LYS A 16 -0.711 -13.947 -1.000 1.00 14.25 H new ATOM 0 HB2 LYS A 16 1.455 -15.840 0.034 1.00 5.13 H new ATOM 0 HB3 LYS A 16 -0.109 -16.294 -0.613 1.00 5.13 H new ATOM 0 HG2 LYS A 16 2.249 -15.135 -2.149 1.00 4.33 H new ATOM 0 HG3 LYS A 16 1.587 -16.751 -2.285 1.00 4.33 H new ATOM 0 HD2 LYS A 16 -0.532 -15.811 -3.232 1.00 31.13 H new ATOM 0 HD3 LYS A 16 0.113 -14.189 -3.079 1.00 31.13 H new ATOM 0 HE2 LYS A 16 1.972 -14.784 -4.650 1.00 1.40 H new ATOM 0 HE3 LYS A 16 1.316 -16.401 -4.809 1.00 1.40 H new ATOM 0 HZ1 LYS A 16 0.634 -14.995 -6.637 1.00 5.10 H new ATOM 0 HZ2 LYS A 16 -0.720 -15.456 -5.722 1.00 5.10 H new ATOM 0 HZ3 LYS A 16 -0.085 -13.889 -5.568 1.00 5.10 H new ATOM 276 N LYS A 17 0.697 -13.951 2.006 1.00 41.43 N ATOM 277 CA LYS A 17 0.480 -13.918 3.460 1.00 2.30 C ATOM 278 C LYS A 17 -0.353 -12.687 3.863 1.00 75.54 C ATOM 279 O LYS A 17 -1.336 -12.828 4.600 1.00 21.25 O ATOM 280 CB LYS A 17 1.845 -13.935 4.201 1.00 1.15 C ATOM 281 CG LYS A 17 2.694 -15.187 3.884 1.00 55.11 C ATOM 282 CD LYS A 17 4.083 -15.174 4.560 1.00 13.31 C ATOM 283 CE LYS A 17 4.004 -15.163 6.093 1.00 45.41 C ATOM 284 NZ LYS A 17 5.346 -15.259 6.721 1.00 24.22 N ATOM 0 H LYS A 17 1.674 -13.835 1.737 1.00 41.43 H new ATOM 0 HA LYS A 17 -0.083 -14.806 3.750 1.00 2.30 H new ATOM 0 HB2 LYS A 17 2.410 -13.043 3.930 1.00 1.15 H new ATOM 0 HB3 LYS A 17 1.668 -13.886 5.276 1.00 1.15 H new ATOM 0 HG2 LYS A 17 2.151 -16.076 4.204 1.00 55.11 H new ATOM 0 HG3 LYS A 17 2.824 -15.265 2.805 1.00 55.11 H new ATOM 0 HD2 LYS A 17 4.646 -16.049 4.237 1.00 13.31 H new ATOM 0 HD3 LYS A 17 4.636 -14.297 4.224 1.00 13.31 H new ATOM 0 HE2 LYS A 17 3.514 -14.247 6.424 1.00 45.41 H new ATOM 0 HE3 LYS A 17 3.386 -15.995 6.430 1.00 45.41 H new ATOM 0 HZ1 LYS A 17 5.269 -15.757 7.631 1.00 24.22 H new ATOM 0 HZ2 LYS A 17 5.987 -15.784 6.092 1.00 24.22 H new ATOM 0 HZ3 LYS A 17 5.724 -14.303 6.880 1.00 24.22 H new ATOM 298 N ILE A 18 0.017 -11.503 3.308 1.00 71.14 N ATOM 299 CA ILE A 18 -0.661 -10.219 3.581 1.00 62.32 C ATOM 300 C ILE A 18 -2.148 -10.328 3.222 1.00 33.23 C ATOM 301 O ILE A 18 -2.988 -9.964 4.031 1.00 43.23 O ATOM 302 CB ILE A 18 -0.015 -9.004 2.798 1.00 71.31 C ATOM 303 CG1 ILE A 18 1.485 -8.836 3.185 1.00 32.41 C ATOM 304 CG2 ILE A 18 -0.792 -7.675 3.051 1.00 22.01 C ATOM 305 CD1 ILE A 18 2.225 -7.757 2.422 1.00 63.41 C ATOM 0 H ILE A 18 0.798 -11.418 2.657 1.00 71.14 H new ATOM 0 HA ILE A 18 -0.541 -10.018 4.646 1.00 62.32 H new ATOM 0 HB ILE A 18 -0.082 -9.230 1.734 1.00 71.31 H new ATOM 0 HG12 ILE A 18 1.547 -8.615 4.250 1.00 32.41 H new ATOM 0 HG13 ILE A 18 1.994 -9.787 3.027 1.00 32.41 H new ATOM 0 HG21 ILE A 18 -0.318 -6.865 2.497 1.00 22.01 H new ATOM 0 HG22 ILE A 18 -1.824 -7.788 2.718 1.00 22.01 H new ATOM 0 HG23 ILE A 18 -0.778 -7.442 4.116 1.00 22.01 H new ATOM 0 HD11 ILE A 18 3.260 -7.716 2.761 1.00 63.41 H new ATOM 0 HD12 ILE A 18 2.201 -7.984 1.356 1.00 63.41 H new ATOM 0 HD13 ILE A 18 1.747 -6.793 2.599 1.00 63.41 H new ATOM 317 N LYS A 19 -2.443 -10.901 2.025 1.00 34.33 N ATOM 318 CA LYS A 19 -3.832 -11.081 1.537 1.00 0.10 C ATOM 319 C LYS A 19 -4.712 -11.779 2.589 1.00 52.44 C ATOM 320 O LYS A 19 -5.759 -11.255 2.959 1.00 4.20 O ATOM 321 CB LYS A 19 -3.880 -11.887 0.213 1.00 52.11 C ATOM 322 CG LYS A 19 -3.158 -11.216 -0.965 1.00 31.24 C ATOM 323 CD LYS A 19 -3.472 -11.897 -2.308 1.00 22.43 C ATOM 324 CE LYS A 19 -2.794 -11.202 -3.491 1.00 61.21 C ATOM 325 NZ LYS A 19 -3.335 -11.683 -4.788 1.00 55.13 N ATOM 0 H LYS A 19 -1.732 -11.247 1.380 1.00 34.33 H new ATOM 0 HA LYS A 19 -4.224 -10.081 1.351 1.00 0.10 H new ATOM 0 HB2 LYS A 19 -3.437 -12.868 0.383 1.00 52.11 H new ATOM 0 HB3 LYS A 19 -4.922 -12.051 -0.061 1.00 52.11 H new ATOM 0 HG2 LYS A 19 -3.448 -10.167 -1.016 1.00 31.24 H new ATOM 0 HG3 LYS A 19 -2.082 -11.241 -0.791 1.00 31.24 H new ATOM 0 HD2 LYS A 19 -3.149 -12.937 -2.268 1.00 22.43 H new ATOM 0 HD3 LYS A 19 -4.551 -11.904 -2.465 1.00 22.43 H new ATOM 0 HE2 LYS A 19 -2.938 -10.124 -3.413 1.00 61.21 H new ATOM 0 HE3 LYS A 19 -1.720 -11.383 -3.454 1.00 61.21 H new ATOM 0 HZ1 LYS A 19 -2.607 -12.237 -5.284 1.00 55.13 H new ATOM 0 HZ2 LYS A 19 -4.168 -12.281 -4.616 1.00 55.13 H new ATOM 0 HZ3 LYS A 19 -3.609 -10.868 -5.374 1.00 55.13 H new ATOM 339 N LYS A 20 -4.216 -12.921 3.109 1.00 62.13 N ATOM 340 CA LYS A 20 -4.949 -13.744 4.091 1.00 3.42 C ATOM 341 C LYS A 20 -5.124 -13.013 5.431 1.00 25.35 C ATOM 342 O LYS A 20 -6.175 -13.139 6.064 1.00 2.35 O ATOM 343 CB LYS A 20 -4.252 -15.120 4.283 1.00 74.22 C ATOM 344 CG LYS A 20 -4.243 -15.973 2.995 1.00 63.22 C ATOM 345 CD LYS A 20 -5.672 -16.225 2.445 1.00 51.13 C ATOM 346 CE LYS A 20 -5.675 -16.903 1.073 1.00 15.23 C ATOM 347 NZ LYS A 20 -7.057 -16.973 0.513 1.00 63.45 N ATOM 0 H LYS A 20 -3.301 -13.296 2.861 1.00 62.13 H new ATOM 0 HA LYS A 20 -5.948 -13.922 3.694 1.00 3.42 H new ATOM 0 HB2 LYS A 20 -3.226 -14.959 4.614 1.00 74.22 H new ATOM 0 HB3 LYS A 20 -4.759 -15.671 5.075 1.00 74.22 H new ATOM 0 HG2 LYS A 20 -3.646 -15.471 2.233 1.00 63.22 H new ATOM 0 HG3 LYS A 20 -3.761 -16.929 3.198 1.00 63.22 H new ATOM 0 HD2 LYS A 20 -6.223 -16.846 3.152 1.00 51.13 H new ATOM 0 HD3 LYS A 20 -6.201 -15.275 2.375 1.00 51.13 H new ATOM 0 HE2 LYS A 20 -5.030 -16.351 0.390 1.00 15.23 H new ATOM 0 HE3 LYS A 20 -5.263 -17.908 1.159 1.00 15.23 H new ATOM 0 HZ1 LYS A 20 -7.014 -16.924 -0.525 1.00 63.45 H new ATOM 0 HZ2 LYS A 20 -7.503 -17.868 0.799 1.00 63.45 H new ATOM 0 HZ3 LYS A 20 -7.619 -16.175 0.874 1.00 63.45 H new ATOM 361 N GLU A 21 -4.105 -12.215 5.819 1.00 10.21 N ATOM 362 CA GLU A 21 -4.168 -11.344 7.023 1.00 44.24 C ATOM 363 C GLU A 21 -5.366 -10.382 6.909 1.00 13.30 C ATOM 364 O GLU A 21 -6.228 -10.326 7.786 1.00 53.33 O ATOM 365 CB GLU A 21 -2.854 -10.514 7.205 1.00 42.51 C ATOM 366 CG GLU A 21 -1.571 -11.344 7.400 1.00 54.24 C ATOM 367 CD GLU A 21 -1.586 -12.231 8.654 1.00 62.23 C ATOM 368 OE1 GLU A 21 -1.444 -11.691 9.766 1.00 31.35 O ATOM 369 OE2 GLU A 21 -1.727 -13.469 8.534 1.00 75.52 O ATOM 0 H GLU A 21 -3.221 -12.153 5.314 1.00 10.21 H new ATOM 0 HA GLU A 21 -4.287 -11.990 7.893 1.00 44.24 H new ATOM 0 HB2 GLU A 21 -2.724 -9.875 6.332 1.00 42.51 H new ATOM 0 HB3 GLU A 21 -2.976 -9.857 8.066 1.00 42.51 H new ATOM 0 HG2 GLU A 21 -1.421 -11.974 6.523 1.00 54.24 H new ATOM 0 HG3 GLU A 21 -0.718 -10.668 7.456 1.00 54.24 H new ATOM 376 N VAL A 22 -5.427 -9.713 5.750 1.00 11.13 N ATOM 377 CA VAL A 22 -6.402 -8.659 5.430 1.00 20.24 C ATOM 378 C VAL A 22 -7.819 -9.241 5.223 1.00 21.13 C ATOM 379 O VAL A 22 -8.817 -8.565 5.474 1.00 33.25 O ATOM 380 CB VAL A 22 -5.918 -7.881 4.151 1.00 63.11 C ATOM 381 CG1 VAL A 22 -6.852 -6.720 3.766 1.00 34.21 C ATOM 382 CG2 VAL A 22 -4.485 -7.363 4.355 1.00 4.44 C ATOM 0 H VAL A 22 -4.779 -9.896 4.984 1.00 11.13 H new ATOM 0 HA VAL A 22 -6.464 -7.969 6.271 1.00 20.24 H new ATOM 0 HB VAL A 22 -5.939 -8.591 3.324 1.00 63.11 H new ATOM 0 HG11 VAL A 22 -6.466 -6.222 2.877 1.00 34.21 H new ATOM 0 HG12 VAL A 22 -7.849 -7.108 3.560 1.00 34.21 H new ATOM 0 HG13 VAL A 22 -6.903 -6.006 4.588 1.00 34.21 H new ATOM 0 HG21 VAL A 22 -4.162 -6.826 3.463 1.00 4.44 H new ATOM 0 HG22 VAL A 22 -4.460 -6.690 5.212 1.00 4.44 H new ATOM 0 HG23 VAL A 22 -3.816 -8.205 4.535 1.00 4.44 H new ATOM 392 N GLU A 23 -7.880 -10.511 4.792 1.00 62.13 N ATOM 393 CA GLU A 23 -9.146 -11.262 4.641 1.00 4.34 C ATOM 394 C GLU A 23 -9.739 -11.620 6.022 1.00 35.21 C ATOM 395 O GLU A 23 -10.963 -11.645 6.182 1.00 1.13 O ATOM 396 CB GLU A 23 -8.923 -12.537 3.780 1.00 22.23 C ATOM 397 CG GLU A 23 -8.701 -12.265 2.272 1.00 35.22 C ATOM 398 CD GLU A 23 -8.219 -13.505 1.489 1.00 22.55 C ATOM 399 OE1 GLU A 23 -8.870 -14.572 1.578 1.00 50.20 O ATOM 400 OE2 GLU A 23 -7.194 -13.420 0.769 1.00 55.30 O ATOM 0 H GLU A 23 -7.053 -11.051 4.537 1.00 62.13 H new ATOM 0 HA GLU A 23 -9.865 -10.626 4.124 1.00 4.34 H new ATOM 0 HB2 GLU A 23 -8.060 -13.076 4.170 1.00 22.23 H new ATOM 0 HB3 GLU A 23 -9.786 -13.192 3.894 1.00 22.23 H new ATOM 0 HG2 GLU A 23 -9.633 -11.908 1.834 1.00 35.22 H new ATOM 0 HG3 GLU A 23 -7.969 -11.466 2.159 1.00 35.22 H new ATOM 407 N ASN A 24 -8.862 -11.869 7.022 1.00 21.12 N ATOM 408 CA ASN A 24 -9.293 -12.104 8.427 1.00 41.41 C ATOM 409 C ASN A 24 -9.501 -10.767 9.169 1.00 4.32 C ATOM 410 O ASN A 24 -10.106 -10.743 10.246 1.00 44.55 O ATOM 411 CB ASN A 24 -8.296 -13.018 9.201 1.00 52.03 C ATOM 412 CG ASN A 24 -8.285 -14.460 8.678 1.00 25.10 C ATOM 413 OD1 ASN A 24 -9.167 -15.256 8.992 1.00 20.22 O ATOM 414 ND2 ASN A 24 -7.270 -14.831 7.927 1.00 25.24 N ATOM 0 H ASN A 24 -7.852 -11.913 6.886 1.00 21.12 H new ATOM 0 HA ASN A 24 -10.247 -12.630 8.387 1.00 41.41 H new ATOM 0 HB2 ASN A 24 -7.292 -12.600 9.124 1.00 52.03 H new ATOM 0 HB3 ASN A 24 -8.559 -13.022 10.259 1.00 52.03 H new ATOM 0 HD21 ASN A 24 -7.206 -15.793 7.595 1.00 25.24 H new ATOM 0 HD22 ASN A 24 -6.547 -14.156 7.677 1.00 25.24 H new ATOM 421 N GLN A 25 -8.982 -9.665 8.593 1.00 74.12 N ATOM 422 CA GLN A 25 -9.309 -8.286 9.036 1.00 64.42 C ATOM 423 C GLN A 25 -10.634 -7.826 8.384 1.00 41.03 C ATOM 424 O GLN A 25 -11.301 -6.924 8.890 1.00 51.43 O ATOM 425 CB GLN A 25 -8.155 -7.304 8.681 1.00 74.55 C ATOM 426 CG GLN A 25 -6.794 -7.623 9.346 1.00 4.04 C ATOM 427 CD GLN A 25 -6.788 -7.522 10.874 1.00 70.00 C ATOM 428 OE1 GLN A 25 -7.533 -6.742 11.471 1.00 20.33 O ATOM 429 NE2 GLN A 25 -5.930 -8.293 11.521 1.00 43.32 N ATOM 0 H GLN A 25 -8.327 -9.700 7.812 1.00 74.12 H new ATOM 0 HA GLN A 25 -9.429 -8.286 10.119 1.00 64.42 H new ATOM 0 HB2 GLN A 25 -8.021 -7.301 7.599 1.00 74.55 H new ATOM 0 HB3 GLN A 25 -8.455 -6.296 8.968 1.00 74.55 H new ATOM 0 HG2 GLN A 25 -6.494 -8.631 9.061 1.00 4.04 H new ATOM 0 HG3 GLN A 25 -6.042 -6.942 8.948 1.00 4.04 H new ATOM 0 HE21 GLN A 25 -5.325 -8.930 11.002 1.00 43.32 H new ATOM 0 HE22 GLN A 25 -5.873 -8.251 12.539 1.00 43.32 H new ATOM 438 N GLY A 26 -10.988 -8.460 7.243 1.00 21.04 N ATOM 439 CA GLY A 26 -12.262 -8.222 6.545 1.00 14.31 C ATOM 440 C GLY A 26 -12.200 -7.141 5.465 1.00 62.34 C ATOM 441 O GLY A 26 -13.228 -6.806 4.867 1.00 15.54 O ATOM 0 H GLY A 26 -10.394 -9.151 6.784 1.00 21.04 H new ATOM 0 HA2 GLY A 26 -12.592 -9.155 6.089 1.00 14.31 H new ATOM 0 HA3 GLY A 26 -13.017 -7.942 7.279 1.00 14.31 H new ATOM 445 N TYR A 27 -10.997 -6.601 5.205 1.00 73.12 N ATOM 446 CA TYR A 27 -10.782 -5.520 4.209 1.00 20.15 C ATOM 447 C TYR A 27 -10.589 -6.116 2.799 1.00 31.32 C ATOM 448 O TYR A 27 -10.349 -7.325 2.645 1.00 30.20 O ATOM 449 CB TYR A 27 -9.540 -4.662 4.584 1.00 23.11 C ATOM 450 CG TYR A 27 -9.634 -3.815 5.864 1.00 72.51 C ATOM 451 CD1 TYR A 27 -10.275 -4.277 7.018 1.00 4.23 C ATOM 452 CD2 TYR A 27 -9.054 -2.547 5.917 1.00 42.22 C ATOM 453 CE1 TYR A 27 -10.340 -3.510 8.166 1.00 43.41 C ATOM 454 CE2 TYR A 27 -9.115 -1.783 7.059 1.00 13.34 C ATOM 455 CZ TYR A 27 -9.762 -2.263 8.183 1.00 63.41 C ATOM 456 OH TYR A 27 -9.826 -1.493 9.330 1.00 44.24 O ATOM 0 H TYR A 27 -10.142 -6.897 5.676 1.00 73.12 H new ATOM 0 HA TYR A 27 -11.666 -4.882 4.212 1.00 20.15 H new ATOM 0 HB2 TYR A 27 -8.685 -5.330 4.683 1.00 23.11 H new ATOM 0 HB3 TYR A 27 -9.327 -3.993 3.750 1.00 23.11 H new ATOM 0 HD1 TYR A 27 -10.730 -5.256 7.012 1.00 4.23 H new ATOM 0 HD2 TYR A 27 -8.548 -2.158 5.046 1.00 42.22 H new ATOM 0 HE1 TYR A 27 -10.842 -3.888 9.044 1.00 43.41 H new ATOM 0 HE2 TYR A 27 -8.656 -0.805 7.078 1.00 13.34 H new ATOM 0 HH TYR A 27 -10.093 -2.055 10.087 1.00 44.24 H new ATOM 466 N GLN A 28 -10.662 -5.239 1.782 1.00 31.22 N ATOM 467 CA GLN A 28 -10.522 -5.611 0.359 1.00 43.21 C ATOM 468 C GLN A 28 -9.036 -5.545 -0.058 1.00 33.03 C ATOM 469 O GLN A 28 -8.318 -4.666 0.410 1.00 32.25 O ATOM 470 CB GLN A 28 -11.376 -4.649 -0.508 1.00 34.00 C ATOM 471 CG GLN A 28 -12.857 -4.538 -0.077 1.00 74.12 C ATOM 472 CD GLN A 28 -13.736 -3.735 -1.044 1.00 41.22 C ATOM 473 OE1 GLN A 28 -13.268 -2.847 -1.753 1.00 14.34 O ATOM 474 NE2 GLN A 28 -15.024 -4.031 -1.067 1.00 40.23 N ATOM 0 H GLN A 28 -10.821 -4.242 1.924 1.00 31.22 H new ATOM 0 HA GLN A 28 -10.875 -6.631 0.209 1.00 43.21 H new ATOM 0 HB2 GLN A 28 -10.927 -3.656 -0.476 1.00 34.00 H new ATOM 0 HB3 GLN A 28 -11.337 -4.984 -1.545 1.00 34.00 H new ATOM 0 HG2 GLN A 28 -13.270 -5.542 0.024 1.00 74.12 H new ATOM 0 HG3 GLN A 28 -12.903 -4.074 0.908 1.00 74.12 H new ATOM 0 HE21 GLN A 28 -15.388 -4.773 -0.469 1.00 40.23 H new ATOM 0 HE22 GLN A 28 -15.654 -3.518 -1.683 1.00 40.23 H new ATOM 483 N VAL A 29 -8.580 -6.472 -0.937 1.00 61.54 N ATOM 484 CA VAL A 29 -7.160 -6.532 -1.393 1.00 4.40 C ATOM 485 C VAL A 29 -7.081 -6.388 -2.928 1.00 32.32 C ATOM 486 O VAL A 29 -7.696 -7.179 -3.656 1.00 75.40 O ATOM 487 CB VAL A 29 -6.436 -7.888 -0.984 1.00 10.20 C ATOM 488 CG1 VAL A 29 -4.914 -7.823 -1.278 1.00 24.14 C ATOM 489 CG2 VAL A 29 -6.703 -8.264 0.494 1.00 24.03 C ATOM 0 H VAL A 29 -9.174 -7.192 -1.348 1.00 61.54 H new ATOM 0 HA VAL A 29 -6.649 -5.707 -0.897 1.00 4.40 H new ATOM 0 HB VAL A 29 -6.865 -8.678 -1.600 1.00 10.20 H new ATOM 0 HG11 VAL A 29 -4.447 -8.764 -0.988 1.00 24.14 H new ATOM 0 HG12 VAL A 29 -4.756 -7.653 -2.343 1.00 24.14 H new ATOM 0 HG13 VAL A 29 -4.468 -7.006 -0.710 1.00 24.14 H new ATOM 0 HG21 VAL A 29 -6.190 -9.196 0.731 1.00 24.03 H new ATOM 0 HG22 VAL A 29 -6.333 -7.471 1.144 1.00 24.03 H new ATOM 0 HG23 VAL A 29 -7.774 -8.390 0.650 1.00 24.03 H new ATOM 499 N ARG A 30 -6.344 -5.365 -3.415 1.00 55.42 N ATOM 500 CA ARG A 30 -5.973 -5.244 -4.849 1.00 25.41 C ATOM 501 C ARG A 30 -4.449 -5.172 -4.965 1.00 41.55 C ATOM 502 O ARG A 30 -3.863 -4.154 -4.616 1.00 32.41 O ATOM 503 CB ARG A 30 -6.584 -3.977 -5.537 1.00 21.41 C ATOM 504 CG ARG A 30 -8.065 -4.062 -5.960 1.00 32.25 C ATOM 505 CD ARG A 30 -9.055 -4.112 -4.789 1.00 0.24 C ATOM 506 NE ARG A 30 -10.403 -3.744 -5.226 1.00 64.13 N ATOM 507 CZ ARG A 30 -11.541 -4.154 -4.673 1.00 12.14 C ATOM 508 NH1 ARG A 30 -11.535 -4.980 -3.642 1.00 43.42 N ATOM 509 NH2 ARG A 30 -12.691 -3.705 -5.137 1.00 4.25 N ATOM 0 H ARG A 30 -5.991 -4.605 -2.834 1.00 55.42 H new ATOM 0 HA ARG A 30 -6.376 -6.120 -5.357 1.00 25.41 H new ATOM 0 HB2 ARG A 30 -6.473 -3.134 -4.856 1.00 21.41 H new ATOM 0 HB3 ARG A 30 -5.990 -3.751 -6.423 1.00 21.41 H new ATOM 0 HG2 ARG A 30 -8.302 -3.201 -6.584 1.00 32.25 H new ATOM 0 HG3 ARG A 30 -8.204 -4.950 -6.576 1.00 32.25 H new ATOM 0 HD2 ARG A 30 -9.068 -5.115 -4.362 1.00 0.24 H new ATOM 0 HD3 ARG A 30 -8.726 -3.434 -4.001 1.00 0.24 H new ATOM 0 HE ARG A 30 -10.476 -3.117 -6.027 1.00 64.13 H new ATOM 0 HH11 ARG A 30 -10.650 -5.312 -3.260 1.00 43.42 H new ATOM 0 HH12 ARG A 30 -12.416 -5.286 -3.228 1.00 43.42 H new ATOM 0 HH21 ARG A 30 -12.705 -3.047 -5.916 1.00 4.25 H new ATOM 0 HH22 ARG A 30 -13.567 -4.016 -4.717 1.00 4.25 H new ATOM 523 N ASP A 31 -3.826 -6.244 -5.472 1.00 53.24 N ATOM 524 CA ASP A 31 -2.385 -6.275 -5.778 1.00 11.32 C ATOM 525 C ASP A 31 -2.188 -5.882 -7.255 1.00 72.43 C ATOM 526 O ASP A 31 -2.775 -6.489 -8.159 1.00 43.25 O ATOM 527 CB ASP A 31 -1.772 -7.677 -5.473 1.00 74.02 C ATOM 528 CG ASP A 31 -2.410 -8.826 -6.278 1.00 12.41 C ATOM 529 OD1 ASP A 31 -3.619 -9.087 -6.091 1.00 23.35 O ATOM 530 OD2 ASP A 31 -1.716 -9.470 -7.097 1.00 54.04 O ATOM 0 H ASP A 31 -4.307 -7.118 -5.683 1.00 53.24 H new ATOM 0 HA ASP A 31 -1.861 -5.562 -5.142 1.00 11.32 H new ATOM 0 HB2 ASP A 31 -0.703 -7.649 -5.684 1.00 74.02 H new ATOM 0 HB3 ASP A 31 -1.882 -7.887 -4.409 1.00 74.02 H new ATOM 535 N VAL A 32 -1.391 -4.827 -7.484 1.00 23.52 N ATOM 536 CA VAL A 32 -1.138 -4.281 -8.819 1.00 51.44 C ATOM 537 C VAL A 32 0.212 -4.815 -9.335 1.00 42.54 C ATOM 538 O VAL A 32 1.271 -4.578 -8.732 1.00 53.21 O ATOM 539 CB VAL A 32 -1.157 -2.704 -8.785 1.00 53.43 C ATOM 540 CG1 VAL A 32 -0.858 -2.106 -10.176 1.00 71.13 C ATOM 541 CG2 VAL A 32 -2.509 -2.183 -8.223 1.00 34.53 C ATOM 0 H VAL A 32 -0.902 -4.328 -6.741 1.00 23.52 H new ATOM 0 HA VAL A 32 -1.926 -4.600 -9.501 1.00 51.44 H new ATOM 0 HB VAL A 32 -0.364 -2.373 -8.115 1.00 53.43 H new ATOM 0 HG11 VAL A 32 -0.879 -1.018 -10.116 1.00 71.13 H new ATOM 0 HG12 VAL A 32 0.128 -2.432 -10.508 1.00 71.13 H new ATOM 0 HG13 VAL A 32 -1.611 -2.445 -10.887 1.00 71.13 H new ATOM 0 HG21 VAL A 32 -2.501 -1.093 -8.208 1.00 34.53 H new ATOM 0 HG22 VAL A 32 -3.325 -2.531 -8.856 1.00 34.53 H new ATOM 0 HG23 VAL A 32 -2.651 -2.559 -7.210 1.00 34.53 H new ATOM 551 N ASN A 33 0.135 -5.543 -10.454 1.00 2.40 N ATOM 552 CA ASN A 33 1.286 -6.137 -11.176 1.00 61.11 C ATOM 553 C ASN A 33 1.465 -5.425 -12.527 1.00 31.45 C ATOM 554 O ASN A 33 2.536 -5.481 -13.141 1.00 72.45 O ATOM 555 CB ASN A 33 1.037 -7.654 -11.438 1.00 21.51 C ATOM 556 CG ASN A 33 0.728 -8.462 -10.178 1.00 33.23 C ATOM 557 OD1 ASN A 33 1.614 -9.078 -9.580 1.00 44.23 O ATOM 558 ND2 ASN A 33 -0.533 -8.450 -9.754 1.00 24.42 N ATOM 0 H ASN A 33 -0.757 -5.747 -10.905 1.00 2.40 H new ATOM 0 HA ASN A 33 2.181 -6.018 -10.565 1.00 61.11 H new ATOM 0 HB2 ASN A 33 0.207 -7.760 -12.137 1.00 21.51 H new ATOM 0 HB3 ASN A 33 1.917 -8.078 -11.922 1.00 21.51 H new ATOM 0 HD21 ASN A 33 -0.792 -8.961 -8.910 1.00 24.42 H new ATOM 0 HD22 ASN A 33 -1.241 -7.930 -10.273 1.00 24.42 H new ATOM 565 N ASP A 34 0.385 -4.759 -12.975 1.00 74.14 N ATOM 566 CA ASP A 34 0.293 -4.101 -14.287 1.00 5.42 C ATOM 567 C ASP A 34 -0.383 -2.728 -14.120 1.00 1.24 C ATOM 568 O ASP A 34 -1.275 -2.576 -13.277 1.00 62.42 O ATOM 569 CB ASP A 34 -0.516 -5.007 -15.258 1.00 40.11 C ATOM 570 CG ASP A 34 -0.582 -4.471 -16.700 1.00 12.12 C ATOM 571 OD1 ASP A 34 0.353 -4.734 -17.489 1.00 32.04 O ATOM 572 OD2 ASP A 34 -1.559 -3.780 -17.046 1.00 31.12 O ATOM 0 H ASP A 34 -0.466 -4.662 -12.421 1.00 74.14 H new ATOM 0 HA ASP A 34 1.288 -3.948 -14.704 1.00 5.42 H new ATOM 0 HB2 ASP A 34 -0.069 -6.001 -15.270 1.00 40.11 H new ATOM 0 HB3 ASP A 34 -1.530 -5.119 -14.875 1.00 40.11 H new ATOM 577 N SER A 35 0.016 -1.755 -14.962 1.00 51.41 N ATOM 578 CA SER A 35 -0.418 -0.338 -14.857 1.00 61.04 C ATOM 579 C SER A 35 -1.939 -0.154 -15.079 1.00 73.20 C ATOM 580 O SER A 35 -2.516 0.851 -14.646 1.00 60.33 O ATOM 581 CB SER A 35 0.367 0.523 -15.874 1.00 51.24 C ATOM 582 OG SER A 35 1.770 0.341 -15.727 1.00 13.04 O ATOM 0 H SER A 35 0.652 -1.926 -15.741 1.00 51.41 H new ATOM 0 HA SER A 35 -0.204 -0.013 -13.839 1.00 61.04 H new ATOM 0 HB2 SER A 35 0.067 0.257 -16.888 1.00 51.24 H new ATOM 0 HB3 SER A 35 0.117 1.575 -15.733 1.00 51.24 H new ATOM 0 HG SER A 35 2.242 0.895 -16.383 1.00 13.04 H new ATOM 588 N ASP A 36 -2.582 -1.133 -15.743 1.00 4.45 N ATOM 589 CA ASP A 36 -4.024 -1.083 -16.052 1.00 2.52 C ATOM 590 C ASP A 36 -4.847 -1.407 -14.793 1.00 15.34 C ATOM 591 O ASP A 36 -5.951 -0.877 -14.603 1.00 42.31 O ATOM 592 CB ASP A 36 -4.373 -2.059 -17.203 1.00 15.23 C ATOM 593 CG ASP A 36 -5.827 -1.911 -17.690 1.00 34.12 C ATOM 594 OD1 ASP A 36 -6.085 -1.044 -18.554 1.00 30.24 O ATOM 595 OD2 ASP A 36 -6.724 -2.639 -17.200 1.00 75.24 O ATOM 0 H ASP A 36 -2.119 -1.977 -16.079 1.00 4.45 H new ATOM 0 HA ASP A 36 -4.274 -0.074 -16.380 1.00 2.52 H new ATOM 0 HB2 ASP A 36 -3.695 -1.885 -18.039 1.00 15.23 H new ATOM 0 HB3 ASP A 36 -4.209 -3.083 -16.867 1.00 15.23 H new ATOM 600 N GLU A 37 -4.274 -2.263 -13.923 1.00 52.23 N ATOM 601 CA GLU A 37 -4.930 -2.726 -12.686 1.00 61.13 C ATOM 602 C GLU A 37 -5.073 -1.592 -11.648 1.00 42.42 C ATOM 603 O GLU A 37 -6.020 -1.599 -10.857 1.00 51.53 O ATOM 604 CB GLU A 37 -4.151 -3.917 -12.061 1.00 54.21 C ATOM 605 CG GLU A 37 -3.993 -5.144 -12.983 1.00 21.21 C ATOM 606 CD GLU A 37 -3.365 -6.349 -12.263 1.00 24.50 C ATOM 607 OE1 GLU A 37 -2.120 -6.452 -12.225 1.00 40.53 O ATOM 608 OE2 GLU A 37 -4.117 -7.191 -11.713 1.00 53.54 O ATOM 0 H GLU A 37 -3.341 -2.653 -14.060 1.00 52.23 H new ATOM 0 HA GLU A 37 -5.931 -3.057 -12.962 1.00 61.13 H new ATOM 0 HB2 GLU A 37 -3.160 -3.571 -11.768 1.00 54.21 H new ATOM 0 HB3 GLU A 37 -4.662 -4.229 -11.150 1.00 54.21 H new ATOM 0 HG2 GLU A 37 -4.970 -5.428 -13.374 1.00 21.21 H new ATOM 0 HG3 GLU A 37 -3.374 -4.874 -13.838 1.00 21.21 H new ATOM 615 N LEU A 38 -4.136 -0.619 -11.646 1.00 73.33 N ATOM 616 CA LEU A 38 -4.184 0.496 -10.680 1.00 44.53 C ATOM 617 C LEU A 38 -5.216 1.547 -11.115 1.00 61.51 C ATOM 618 O LEU A 38 -5.992 2.022 -10.290 1.00 0.32 O ATOM 619 CB LEU A 38 -2.765 1.113 -10.444 1.00 71.32 C ATOM 620 CG LEU A 38 -2.056 1.900 -11.620 1.00 11.31 C ATOM 621 CD1 LEU A 38 -2.411 3.414 -11.639 1.00 20.13 C ATOM 622 CD2 LEU A 38 -0.527 1.714 -11.578 1.00 11.53 C ATOM 0 H LEU A 38 -3.349 -0.584 -12.293 1.00 73.33 H new ATOM 0 HA LEU A 38 -4.511 0.101 -9.718 1.00 44.53 H new ATOM 0 HB2 LEU A 38 -2.840 1.792 -9.595 1.00 71.32 H new ATOM 0 HB3 LEU A 38 -2.101 0.302 -10.146 1.00 71.32 H new ATOM 0 HG LEU A 38 -2.441 1.467 -12.543 1.00 11.31 H new ATOM 0 HD11 LEU A 38 -1.894 3.898 -12.468 1.00 20.13 H new ATOM 0 HD12 LEU A 38 -3.487 3.534 -11.763 1.00 20.13 H new ATOM 0 HD13 LEU A 38 -2.100 3.872 -10.700 1.00 20.13 H new ATOM 0 HD21 LEU A 38 -0.071 2.267 -12.399 1.00 11.53 H new ATOM 0 HD22 LEU A 38 -0.141 2.088 -10.630 1.00 11.53 H new ATOM 0 HD23 LEU A 38 -0.286 0.655 -11.676 1.00 11.53 H new ATOM 634 N LYS A 39 -5.247 1.862 -12.428 1.00 23.11 N ATOM 635 CA LYS A 39 -6.067 2.970 -12.968 1.00 33.03 C ATOM 636 C LYS A 39 -7.559 2.608 -12.989 1.00 3.34 C ATOM 637 O LYS A 39 -8.407 3.485 -12.801 1.00 12.44 O ATOM 638 CB LYS A 39 -5.569 3.394 -14.376 1.00 41.52 C ATOM 639 CG LYS A 39 -5.695 2.314 -15.470 1.00 54.44 C ATOM 640 CD LYS A 39 -5.129 2.764 -16.835 1.00 20.35 C ATOM 641 CE LYS A 39 -3.617 3.037 -16.803 1.00 55.51 C ATOM 642 NZ LYS A 39 -3.117 3.559 -18.105 1.00 21.33 N ATOM 0 H LYS A 39 -4.711 1.362 -13.137 1.00 23.11 H new ATOM 0 HA LYS A 39 -5.950 3.824 -12.301 1.00 33.03 H new ATOM 0 HB2 LYS A 39 -6.128 4.275 -14.691 1.00 41.52 H new ATOM 0 HB3 LYS A 39 -4.523 3.691 -14.300 1.00 41.52 H new ATOM 0 HG2 LYS A 39 -5.172 1.414 -15.146 1.00 54.44 H new ATOM 0 HG3 LYS A 39 -6.745 2.047 -15.589 1.00 54.44 H new ATOM 0 HD2 LYS A 39 -5.337 1.995 -17.579 1.00 20.35 H new ATOM 0 HD3 LYS A 39 -5.648 3.667 -17.156 1.00 20.35 H new ATOM 0 HE2 LYS A 39 -3.395 3.756 -16.015 1.00 55.51 H new ATOM 0 HE3 LYS A 39 -3.088 2.117 -16.554 1.00 55.51 H new ATOM 0 HZ1 LYS A 39 -2.093 3.730 -18.040 1.00 21.33 H new ATOM 0 HZ2 LYS A 39 -3.305 2.862 -18.854 1.00 21.33 H new ATOM 0 HZ3 LYS A 39 -3.603 4.450 -18.331 1.00 21.33 H new ATOM 656 N LYS A 40 -7.868 1.302 -13.187 1.00 14.13 N ATOM 657 CA LYS A 40 -9.256 0.799 -13.142 1.00 44.32 C ATOM 658 C LYS A 40 -9.806 0.912 -11.716 1.00 11.35 C ATOM 659 O LYS A 40 -10.985 1.213 -11.524 1.00 60.24 O ATOM 660 CB LYS A 40 -9.361 -0.671 -13.650 1.00 60.43 C ATOM 661 CG LYS A 40 -8.638 -1.731 -12.788 1.00 63.24 C ATOM 662 CD LYS A 40 -8.926 -3.183 -13.239 1.00 64.43 C ATOM 663 CE LYS A 40 -10.402 -3.571 -13.050 1.00 20.54 C ATOM 664 NZ LYS A 40 -10.673 -4.978 -13.469 1.00 64.03 N ATOM 0 H LYS A 40 -7.172 0.582 -13.379 1.00 14.13 H new ATOM 0 HA LYS A 40 -9.855 1.416 -13.812 1.00 44.32 H new ATOM 0 HB2 LYS A 40 -10.415 -0.939 -13.714 1.00 60.43 H new ATOM 0 HB3 LYS A 40 -8.958 -0.716 -14.662 1.00 60.43 H new ATOM 0 HG2 LYS A 40 -7.564 -1.551 -12.828 1.00 63.24 H new ATOM 0 HG3 LYS A 40 -8.942 -1.613 -11.748 1.00 63.24 H new ATOM 0 HD2 LYS A 40 -8.655 -3.296 -14.289 1.00 64.43 H new ATOM 0 HD3 LYS A 40 -8.297 -3.869 -12.672 1.00 64.43 H new ATOM 0 HE2 LYS A 40 -10.678 -3.446 -12.003 1.00 20.54 H new ATOM 0 HE3 LYS A 40 -11.031 -2.894 -13.628 1.00 20.54 H new ATOM 0 HZ1 LYS A 40 -11.680 -5.196 -13.324 1.00 64.03 H new ATOM 0 HZ2 LYS A 40 -10.435 -5.093 -14.475 1.00 64.03 H new ATOM 0 HZ3 LYS A 40 -10.093 -5.627 -12.900 1.00 64.03 H new ATOM 678 N GLU A 41 -8.918 0.699 -10.723 1.00 73.52 N ATOM 679 CA GLU A 41 -9.276 0.798 -9.311 1.00 45.34 C ATOM 680 C GLU A 41 -9.367 2.249 -8.868 1.00 0.13 C ATOM 681 O GLU A 41 -10.197 2.562 -8.045 1.00 42.30 O ATOM 682 CB GLU A 41 -8.301 -0.004 -8.421 1.00 53.25 C ATOM 683 CG GLU A 41 -8.404 -1.527 -8.635 1.00 0.14 C ATOM 684 CD GLU A 41 -9.862 -2.048 -8.585 1.00 53.03 C ATOM 685 OE1 GLU A 41 -10.544 -1.846 -7.550 1.00 74.11 O ATOM 686 OE2 GLU A 41 -10.334 -2.651 -9.577 1.00 64.01 O ATOM 0 H GLU A 41 -7.941 0.456 -10.886 1.00 73.52 H new ATOM 0 HA GLU A 41 -10.264 0.353 -9.191 1.00 45.34 H new ATOM 0 HB2 GLU A 41 -7.280 0.318 -8.628 1.00 53.25 H new ATOM 0 HB3 GLU A 41 -8.502 0.225 -7.374 1.00 53.25 H new ATOM 0 HG2 GLU A 41 -7.965 -1.783 -9.599 1.00 0.14 H new ATOM 0 HG3 GLU A 41 -7.816 -2.036 -7.872 1.00 0.14 H new ATOM 693 N MET A 42 -8.541 3.144 -9.435 1.00 74.24 N ATOM 694 CA MET A 42 -8.649 4.592 -9.151 1.00 13.31 C ATOM 695 C MET A 42 -10.036 5.123 -9.575 1.00 31.20 C ATOM 696 O MET A 42 -10.577 6.019 -8.932 1.00 61.12 O ATOM 697 CB MET A 42 -7.516 5.401 -9.830 1.00 72.21 C ATOM 698 CG MET A 42 -6.092 5.082 -9.325 1.00 74.24 C ATOM 699 SD MET A 42 -5.838 5.357 -7.545 1.00 62.43 S ATOM 700 CE MET A 42 -6.103 3.720 -6.831 1.00 10.22 C ATOM 0 H MET A 42 -7.797 2.898 -10.087 1.00 74.24 H new ATOM 0 HA MET A 42 -8.538 4.726 -8.075 1.00 13.31 H new ATOM 0 HB2 MET A 42 -7.553 5.219 -10.904 1.00 72.21 H new ATOM 0 HB3 MET A 42 -7.709 6.463 -9.680 1.00 72.21 H new ATOM 0 HG2 MET A 42 -5.865 4.041 -9.554 1.00 74.24 H new ATOM 0 HG3 MET A 42 -5.379 5.693 -9.879 1.00 74.24 H new ATOM 0 HE1 MET A 42 -6.344 3.819 -5.773 1.00 10.22 H new ATOM 0 HE2 MET A 42 -6.928 3.227 -7.346 1.00 10.22 H new ATOM 0 HE3 MET A 42 -5.198 3.124 -6.942 1.00 10.22 H new ATOM 710 N LYS A 43 -10.598 4.537 -10.663 1.00 41.44 N ATOM 711 CA LYS A 43 -11.981 4.813 -11.124 1.00 54.30 C ATOM 712 C LYS A 43 -13.016 4.322 -10.088 1.00 43.25 C ATOM 713 O LYS A 43 -13.904 5.079 -9.685 1.00 10.44 O ATOM 714 CB LYS A 43 -12.244 4.125 -12.498 1.00 1.32 C ATOM 715 CG LYS A 43 -11.358 4.628 -13.658 1.00 11.34 C ATOM 716 CD LYS A 43 -11.576 3.818 -14.965 1.00 10.12 C ATOM 717 CE LYS A 43 -10.727 4.328 -16.142 1.00 64.31 C ATOM 718 NZ LYS A 43 -11.052 5.737 -16.501 1.00 54.11 N ATOM 0 H LYS A 43 -10.104 3.860 -11.245 1.00 41.44 H new ATOM 0 HA LYS A 43 -12.088 5.892 -11.238 1.00 54.30 H new ATOM 0 HB2 LYS A 43 -12.094 3.051 -12.385 1.00 1.32 H new ATOM 0 HB3 LYS A 43 -13.290 4.274 -12.768 1.00 1.32 H new ATOM 0 HG2 LYS A 43 -11.573 5.680 -13.846 1.00 11.34 H new ATOM 0 HG3 LYS A 43 -10.310 4.564 -13.365 1.00 11.34 H new ATOM 0 HD2 LYS A 43 -11.337 2.771 -14.780 1.00 10.12 H new ATOM 0 HD3 LYS A 43 -12.630 3.861 -15.240 1.00 10.12 H new ATOM 0 HE2 LYS A 43 -9.670 4.255 -15.884 1.00 64.31 H new ATOM 0 HE3 LYS A 43 -10.889 3.687 -17.009 1.00 64.31 H new ATOM 0 HZ1 LYS A 43 -10.558 5.994 -17.379 1.00 54.11 H new ATOM 0 HZ2 LYS A 43 -12.078 5.832 -16.641 1.00 54.11 H new ATOM 0 HZ3 LYS A 43 -10.747 6.370 -15.734 1.00 54.11 H new ATOM 732 N LYS A 44 -12.863 3.047 -9.666 1.00 24.31 N ATOM 733 CA LYS A 44 -13.788 2.378 -8.725 1.00 15.21 C ATOM 734 C LYS A 44 -13.839 3.112 -7.374 1.00 44.33 C ATOM 735 O LYS A 44 -14.910 3.416 -6.868 1.00 25.35 O ATOM 736 CB LYS A 44 -13.365 0.895 -8.491 1.00 43.21 C ATOM 737 CG LYS A 44 -13.354 -0.013 -9.749 1.00 10.22 C ATOM 738 CD LYS A 44 -14.719 -0.118 -10.483 1.00 5.23 C ATOM 739 CE LYS A 44 -15.875 -0.625 -9.590 1.00 64.40 C ATOM 740 NZ LYS A 44 -15.567 -1.919 -8.925 1.00 52.52 N ATOM 0 H LYS A 44 -12.092 2.452 -9.969 1.00 24.31 H new ATOM 0 HA LYS A 44 -14.780 2.403 -9.176 1.00 15.21 H new ATOM 0 HB2 LYS A 44 -12.367 0.887 -8.052 1.00 43.21 H new ATOM 0 HB3 LYS A 44 -14.040 0.457 -7.756 1.00 43.21 H new ATOM 0 HG2 LYS A 44 -12.609 0.366 -10.448 1.00 10.22 H new ATOM 0 HG3 LYS A 44 -13.036 -1.014 -9.456 1.00 10.22 H new ATOM 0 HD2 LYS A 44 -14.983 0.862 -10.880 1.00 5.23 H new ATOM 0 HD3 LYS A 44 -14.611 -0.789 -11.336 1.00 5.23 H new ATOM 0 HE2 LYS A 44 -16.096 0.125 -8.830 1.00 64.40 H new ATOM 0 HE3 LYS A 44 -16.773 -0.739 -10.197 1.00 64.40 H new ATOM 0 HZ1 LYS A 44 -16.395 -2.235 -8.381 1.00 52.52 H new ATOM 0 HZ2 LYS A 44 -15.333 -2.632 -9.645 1.00 52.52 H new ATOM 0 HZ3 LYS A 44 -14.758 -1.796 -8.284 1.00 52.52 H new ATOM 754 N LEU A 45 -12.655 3.427 -6.843 1.00 21.12 N ATOM 755 CA LEU A 45 -12.493 3.995 -5.498 1.00 31.43 C ATOM 756 C LEU A 45 -12.914 5.470 -5.469 1.00 55.43 C ATOM 757 O LEU A 45 -13.393 5.946 -4.454 1.00 60.53 O ATOM 758 CB LEU A 45 -11.024 3.812 -5.010 1.00 3.32 C ATOM 759 CG LEU A 45 -10.481 2.338 -5.040 1.00 34.45 C ATOM 760 CD1 LEU A 45 -9.061 2.234 -4.454 1.00 41.32 C ATOM 761 CD2 LEU A 45 -11.460 1.354 -4.374 1.00 42.13 C ATOM 0 H LEU A 45 -11.773 3.295 -7.337 1.00 21.12 H new ATOM 0 HA LEU A 45 -13.148 3.458 -4.812 1.00 31.43 H new ATOM 0 HB2 LEU A 45 -10.374 4.433 -5.627 1.00 3.32 H new ATOM 0 HB3 LEU A 45 -10.949 4.188 -3.990 1.00 3.32 H new ATOM 0 HG LEU A 45 -10.406 2.047 -6.088 1.00 34.45 H new ATOM 0 HD11 LEU A 45 -8.726 1.198 -4.495 1.00 41.32 H new ATOM 0 HD12 LEU A 45 -8.381 2.858 -5.034 1.00 41.32 H new ATOM 0 HD13 LEU A 45 -9.069 2.572 -3.418 1.00 41.32 H new ATOM 0 HD21 LEU A 45 -11.047 0.346 -4.416 1.00 42.13 H new ATOM 0 HD22 LEU A 45 -11.613 1.641 -3.334 1.00 42.13 H new ATOM 0 HD23 LEU A 45 -12.414 1.378 -4.901 1.00 42.13 H new ATOM 773 N ALA A 46 -12.732 6.174 -6.601 1.00 33.53 N ATOM 774 CA ALA A 46 -13.180 7.574 -6.770 1.00 34.00 C ATOM 775 C ALA A 46 -14.709 7.670 -6.693 1.00 73.31 C ATOM 776 O ALA A 46 -15.269 8.395 -5.862 1.00 10.22 O ATOM 777 CB ALA A 46 -12.708 8.130 -8.125 1.00 30.13 C ATOM 0 H ALA A 46 -12.271 5.791 -7.426 1.00 33.53 H new ATOM 0 HA ALA A 46 -12.744 8.163 -5.963 1.00 34.00 H new ATOM 0 HB1 ALA A 46 -13.046 9.161 -8.233 1.00 30.13 H new ATOM 0 HB2 ALA A 46 -11.619 8.098 -8.172 1.00 30.13 H new ATOM 0 HB3 ALA A 46 -13.124 7.525 -8.931 1.00 30.13 H new ATOM 783 N GLU A 47 -15.360 6.892 -7.567 1.00 24.33 N ATOM 784 CA GLU A 47 -16.803 6.972 -7.812 1.00 42.04 C ATOM 785 C GLU A 47 -17.613 6.383 -6.642 1.00 4.44 C ATOM 786 O GLU A 47 -18.607 6.979 -6.210 1.00 1.05 O ATOM 787 CB GLU A 47 -17.126 6.273 -9.156 1.00 1.02 C ATOM 788 CG GLU A 47 -16.550 7.016 -10.385 1.00 42.20 C ATOM 789 CD GLU A 47 -16.837 6.308 -11.713 1.00 1.34 C ATOM 790 OE1 GLU A 47 -18.002 6.339 -12.175 1.00 54.23 O ATOM 791 OE2 GLU A 47 -15.900 5.718 -12.307 1.00 12.25 O ATOM 0 H GLU A 47 -14.893 6.181 -8.130 1.00 24.33 H new ATOM 0 HA GLU A 47 -17.098 8.019 -7.882 1.00 42.04 H new ATOM 0 HB2 GLU A 47 -16.729 5.258 -9.135 1.00 1.02 H new ATOM 0 HB3 GLU A 47 -18.207 6.190 -9.264 1.00 1.02 H new ATOM 0 HG2 GLU A 47 -16.967 8.022 -10.421 1.00 42.20 H new ATOM 0 HG3 GLU A 47 -15.472 7.122 -10.264 1.00 42.20 H new ATOM 798 N GLU A 48 -17.167 5.227 -6.123 1.00 22.01 N ATOM 799 CA GLU A 48 -17.792 4.569 -4.955 1.00 0.41 C ATOM 800 C GLU A 48 -17.254 5.225 -3.672 1.00 44.11 C ATOM 801 O GLU A 48 -16.038 5.205 -3.430 1.00 41.32 O ATOM 802 CB GLU A 48 -17.494 3.050 -4.942 1.00 62.40 C ATOM 803 CG GLU A 48 -17.903 2.300 -6.214 1.00 42.13 C ATOM 804 CD GLU A 48 -17.554 0.809 -6.133 1.00 1.31 C ATOM 805 OE1 GLU A 48 -16.412 0.432 -6.469 1.00 52.22 O ATOM 806 OE2 GLU A 48 -18.422 0.007 -5.714 1.00 70.42 O ATOM 0 H GLU A 48 -16.365 4.720 -6.498 1.00 22.01 H new ATOM 0 HA GLU A 48 -18.873 4.692 -5.014 1.00 0.41 H new ATOM 0 HB2 GLU A 48 -16.426 2.906 -4.781 1.00 62.40 H new ATOM 0 HB3 GLU A 48 -18.008 2.601 -4.092 1.00 62.40 H new ATOM 0 HG2 GLU A 48 -18.975 2.414 -6.374 1.00 42.13 H new ATOM 0 HG3 GLU A 48 -17.403 2.744 -7.075 1.00 42.13 H new ATOM 813 N LYS A 49 -18.144 5.839 -2.864 1.00 22.13 N ATOM 814 CA LYS A 49 -17.724 6.562 -1.652 1.00 2.13 C ATOM 815 C LYS A 49 -18.063 5.765 -0.364 1.00 64.43 C ATOM 816 O LYS A 49 -17.167 5.256 0.316 1.00 43.32 O ATOM 817 CB LYS A 49 -18.369 7.987 -1.650 1.00 72.32 C ATOM 818 CG LYS A 49 -17.684 9.000 -0.706 1.00 11.51 C ATOM 819 CD LYS A 49 -16.167 9.131 -0.994 1.00 1.20 C ATOM 820 CE LYS A 49 -15.466 10.141 -0.084 1.00 70.41 C ATOM 821 NZ LYS A 49 -15.826 11.544 -0.396 1.00 22.15 N ATOM 0 H LYS A 49 -19.150 5.847 -3.030 1.00 22.13 H new ATOM 0 HA LYS A 49 -16.640 6.673 -1.661 1.00 2.13 H new ATOM 0 HB2 LYS A 49 -18.347 8.383 -2.665 1.00 72.32 H new ATOM 0 HB3 LYS A 49 -19.417 7.897 -1.366 1.00 72.32 H new ATOM 0 HG2 LYS A 49 -18.159 9.975 -0.815 1.00 11.51 H new ATOM 0 HG3 LYS A 49 -17.831 8.688 0.328 1.00 11.51 H new ATOM 0 HD2 LYS A 49 -15.695 8.156 -0.874 1.00 1.20 H new ATOM 0 HD3 LYS A 49 -16.025 9.428 -2.033 1.00 1.20 H new ATOM 0 HE2 LYS A 49 -15.723 9.927 0.954 1.00 70.41 H new ATOM 0 HE3 LYS A 49 -14.387 10.019 -0.177 1.00 70.41 H new ATOM 0 HZ1 LYS A 49 -15.322 12.184 0.251 1.00 22.15 H new ATOM 0 HZ2 LYS A 49 -15.557 11.761 -1.377 1.00 22.15 H new ATOM 0 HZ3 LYS A 49 -16.852 11.673 -0.281 1.00 22.15 H new ATOM 835 N ASN A 50 -19.364 5.600 -0.071 1.00 32.01 N ATOM 836 CA ASN A 50 -19.843 4.971 1.183 1.00 4.22 C ATOM 837 C ASN A 50 -19.689 3.430 1.110 1.00 75.44 C ATOM 838 O ASN A 50 -20.534 2.748 0.522 1.00 75.13 O ATOM 839 CB ASN A 50 -21.319 5.399 1.456 1.00 3.33 C ATOM 840 CG ASN A 50 -21.866 4.905 2.804 1.00 1.30 C ATOM 841 OD1 ASN A 50 -21.733 5.576 3.826 1.00 25.04 O ATOM 842 ND2 ASN A 50 -22.484 3.733 2.823 1.00 30.41 N ATOM 0 H ASN A 50 -20.116 5.897 -0.692 1.00 32.01 H new ATOM 0 HA ASN A 50 -19.234 5.315 2.019 1.00 4.22 H new ATOM 0 HB2 ASN A 50 -21.384 6.487 1.424 1.00 3.33 H new ATOM 0 HB3 ASN A 50 -21.953 5.018 0.655 1.00 3.33 H new ATOM 0 HD21 ASN A 50 -22.861 3.370 3.698 1.00 30.41 H new ATOM 0 HD22 ASN A 50 -22.582 3.194 1.962 1.00 30.41 H new ATOM 849 N PHE A 51 -18.543 2.929 1.635 1.00 74.30 N ATOM 850 CA PHE A 51 -18.257 1.478 1.843 1.00 33.35 C ATOM 851 C PHE A 51 -16.929 1.324 2.628 1.00 72.23 C ATOM 852 O PHE A 51 -16.326 2.332 3.037 1.00 63.45 O ATOM 853 CB PHE A 51 -18.241 0.656 0.502 1.00 22.12 C ATOM 854 CG PHE A 51 -17.075 0.898 -0.461 1.00 75.31 C ATOM 855 CD1 PHE A 51 -16.880 2.135 -1.064 1.00 14.42 C ATOM 856 CD2 PHE A 51 -16.202 -0.139 -0.798 1.00 54.12 C ATOM 857 CE1 PHE A 51 -15.849 2.326 -1.959 1.00 22.55 C ATOM 858 CE2 PHE A 51 -15.173 0.055 -1.690 1.00 22.53 C ATOM 859 CZ PHE A 51 -14.997 1.289 -2.274 1.00 15.21 C ATOM 0 H PHE A 51 -17.774 3.529 1.933 1.00 74.30 H new ATOM 0 HA PHE A 51 -19.073 1.056 2.430 1.00 33.35 H new ATOM 0 HB2 PHE A 51 -18.253 -0.404 0.757 1.00 22.12 H new ATOM 0 HB3 PHE A 51 -19.168 0.866 -0.032 1.00 22.12 H new ATOM 0 HD1 PHE A 51 -17.543 2.955 -0.829 1.00 14.42 H new ATOM 0 HD2 PHE A 51 -16.338 -1.112 -0.349 1.00 54.12 H new ATOM 0 HE1 PHE A 51 -15.708 3.294 -2.416 1.00 22.55 H new ATOM 0 HE2 PHE A 51 -14.505 -0.759 -1.931 1.00 22.53 H new ATOM 0 HZ PHE A 51 -14.193 1.445 -2.978 1.00 15.21 H new ATOM 869 N GLU A 52 -16.489 0.068 2.860 1.00 63.42 N ATOM 870 CA GLU A 52 -15.236 -0.218 3.607 1.00 30.34 C ATOM 871 C GLU A 52 -13.985 0.282 2.847 1.00 15.31 C ATOM 872 O GLU A 52 -13.993 0.396 1.614 1.00 5.34 O ATOM 873 CB GLU A 52 -15.078 -1.736 3.940 1.00 44.12 C ATOM 874 CG GLU A 52 -14.943 -2.705 2.728 1.00 23.12 C ATOM 875 CD GLU A 52 -16.295 -3.191 2.165 1.00 72.34 C ATOM 876 OE1 GLU A 52 -16.803 -4.237 2.638 1.00 55.11 O ATOM 877 OE2 GLU A 52 -16.864 -2.537 1.266 1.00 11.33 O ATOM 0 H GLU A 52 -16.981 -0.767 2.542 1.00 63.42 H new ATOM 0 HA GLU A 52 -15.317 0.330 4.546 1.00 30.34 H new ATOM 0 HB2 GLU A 52 -14.198 -1.856 4.572 1.00 44.12 H new ATOM 0 HB3 GLU A 52 -15.940 -2.047 4.530 1.00 44.12 H new ATOM 0 HG2 GLU A 52 -14.389 -2.204 1.934 1.00 23.12 H new ATOM 0 HG3 GLU A 52 -14.354 -3.571 3.031 1.00 23.12 H new ATOM 884 N LYS A 53 -12.918 0.577 3.614 1.00 63.01 N ATOM 885 CA LYS A 53 -11.634 1.061 3.069 1.00 33.20 C ATOM 886 C LYS A 53 -10.786 -0.116 2.558 1.00 52.02 C ATOM 887 O LYS A 53 -10.866 -1.241 3.076 1.00 42.32 O ATOM 888 CB LYS A 53 -10.878 1.911 4.123 1.00 71.43 C ATOM 889 CG LYS A 53 -10.541 1.185 5.443 1.00 14.14 C ATOM 890 CD LYS A 53 -10.176 2.165 6.587 1.00 33.43 C ATOM 891 CE LYS A 53 -10.000 1.462 7.939 1.00 54.45 C ATOM 892 NZ LYS A 53 -9.936 2.421 9.063 1.00 45.21 N ATOM 0 H LYS A 53 -12.922 0.487 4.630 1.00 63.01 H new ATOM 0 HA LYS A 53 -11.835 1.709 2.216 1.00 33.20 H new ATOM 0 HB2 LYS A 53 -9.950 2.269 3.678 1.00 71.43 H new ATOM 0 HB3 LYS A 53 -11.480 2.790 4.355 1.00 71.43 H new ATOM 0 HG2 LYS A 53 -11.394 0.579 5.748 1.00 14.14 H new ATOM 0 HG3 LYS A 53 -9.708 0.502 5.275 1.00 14.14 H new ATOM 0 HD2 LYS A 53 -9.254 2.687 6.331 1.00 33.43 H new ATOM 0 HD3 LYS A 53 -10.957 2.921 6.675 1.00 33.43 H new ATOM 0 HE2 LYS A 53 -10.829 0.772 8.099 1.00 54.45 H new ATOM 0 HE3 LYS A 53 -9.088 0.865 7.920 1.00 54.45 H new ATOM 0 HZ1 LYS A 53 -9.290 2.058 9.793 1.00 45.21 H new ATOM 0 HZ2 LYS A 53 -9.588 3.338 8.717 1.00 45.21 H new ATOM 0 HZ3 LYS A 53 -10.885 2.542 9.470 1.00 45.21 H new ATOM 906 N ILE A 54 -9.971 0.175 1.533 1.00 25.32 N ATOM 907 CA ILE A 54 -9.352 -0.838 0.673 1.00 62.14 C ATOM 908 C ILE A 54 -7.834 -0.855 0.904 1.00 31.22 C ATOM 909 O ILE A 54 -7.184 0.197 0.947 1.00 21.35 O ATOM 910 CB ILE A 54 -9.657 -0.582 -0.870 1.00 23.50 C ATOM 911 CG1 ILE A 54 -11.197 -0.388 -1.147 1.00 24.30 C ATOM 912 CG2 ILE A 54 -9.087 -1.731 -1.749 1.00 45.41 C ATOM 913 CD1 ILE A 54 -11.757 0.991 -0.781 1.00 64.14 C ATOM 0 H ILE A 54 -9.722 1.131 1.277 1.00 25.32 H new ATOM 0 HA ILE A 54 -9.783 -1.803 0.939 1.00 62.14 H new ATOM 0 HB ILE A 54 -9.156 0.347 -1.142 1.00 23.50 H new ATOM 0 HG12 ILE A 54 -11.385 -0.570 -2.205 1.00 24.30 H new ATOM 0 HG13 ILE A 54 -11.748 -1.146 -0.590 1.00 24.30 H new ATOM 0 HG21 ILE A 54 -9.309 -1.531 -2.797 1.00 45.41 H new ATOM 0 HG22 ILE A 54 -8.007 -1.793 -1.612 1.00 45.41 H new ATOM 0 HG23 ILE A 54 -9.545 -2.676 -1.455 1.00 45.41 H new ATOM 0 HD11 ILE A 54 -12.822 1.023 -1.009 1.00 64.14 H new ATOM 0 HD12 ILE A 54 -11.608 1.173 0.283 1.00 64.14 H new ATOM 0 HD13 ILE A 54 -11.239 1.758 -1.357 1.00 64.14 H new ATOM 925 N LEU A 55 -7.298 -2.062 1.082 1.00 20.11 N ATOM 926 CA LEU A 55 -5.867 -2.305 1.157 1.00 2.21 C ATOM 927 C LEU A 55 -5.341 -2.624 -0.255 1.00 21.00 C ATOM 928 O LEU A 55 -5.745 -3.612 -0.880 1.00 3.43 O ATOM 929 CB LEU A 55 -5.590 -3.444 2.172 1.00 20.41 C ATOM 930 CG LEU A 55 -4.066 -3.763 2.455 1.00 45.10 C ATOM 931 CD1 LEU A 55 -3.782 -3.903 3.971 1.00 11.13 C ATOM 932 CD2 LEU A 55 -3.573 -5.012 1.680 1.00 63.15 C ATOM 0 H LEU A 55 -7.859 -2.908 1.179 1.00 20.11 H new ATOM 0 HA LEU A 55 -5.338 -1.422 1.515 1.00 2.21 H new ATOM 0 HB2 LEU A 55 -6.069 -3.187 3.117 1.00 20.41 H new ATOM 0 HB3 LEU A 55 -6.070 -4.353 1.809 1.00 20.41 H new ATOM 0 HG LEU A 55 -3.498 -2.909 2.086 1.00 45.10 H new ATOM 0 HD11 LEU A 55 -2.725 -4.122 4.125 1.00 11.13 H new ATOM 0 HD12 LEU A 55 -4.037 -2.972 4.476 1.00 11.13 H new ATOM 0 HD13 LEU A 55 -4.384 -4.714 4.380 1.00 11.13 H new ATOM 0 HD21 LEU A 55 -2.522 -5.190 1.907 1.00 63.15 H new ATOM 0 HD22 LEU A 55 -4.160 -5.880 1.978 1.00 63.15 H new ATOM 0 HD23 LEU A 55 -3.690 -4.845 0.609 1.00 63.15 H new ATOM 944 N ILE A 56 -4.485 -1.739 -0.763 1.00 21.43 N ATOM 945 CA ILE A 56 -3.809 -1.897 -2.056 1.00 2.32 C ATOM 946 C ILE A 56 -2.392 -2.454 -1.802 1.00 40.15 C ATOM 947 O ILE A 56 -1.746 -2.087 -0.832 1.00 32.34 O ATOM 948 CB ILE A 56 -3.703 -0.507 -2.817 1.00 2.53 C ATOM 949 CG1 ILE A 56 -5.102 0.188 -2.964 1.00 61.12 C ATOM 950 CG2 ILE A 56 -3.022 -0.659 -4.203 1.00 74.23 C ATOM 951 CD1 ILE A 56 -6.129 -0.567 -3.802 1.00 54.35 C ATOM 0 H ILE A 56 -4.235 -0.875 -0.281 1.00 21.43 H new ATOM 0 HA ILE A 56 -4.385 -2.581 -2.679 1.00 2.32 H new ATOM 0 HB ILE A 56 -3.073 0.136 -2.202 1.00 2.53 H new ATOM 0 HG12 ILE A 56 -5.516 0.344 -1.968 1.00 61.12 H new ATOM 0 HG13 ILE A 56 -4.953 1.173 -3.405 1.00 61.12 H new ATOM 0 HG21 ILE A 56 -2.969 0.314 -4.691 1.00 74.23 H new ATOM 0 HG22 ILE A 56 -2.015 -1.055 -4.072 1.00 74.23 H new ATOM 0 HG23 ILE A 56 -3.603 -1.343 -4.821 1.00 74.23 H new ATOM 0 HD11 ILE A 56 -7.058 0.002 -3.838 1.00 54.35 H new ATOM 0 HD12 ILE A 56 -5.746 -0.700 -4.814 1.00 54.35 H new ATOM 0 HD13 ILE A 56 -6.318 -1.543 -3.354 1.00 54.35 H new ATOM 963 N ILE A 57 -1.956 -3.395 -2.635 1.00 4.41 N ATOM 964 CA ILE A 57 -0.551 -3.823 -2.743 1.00 1.33 C ATOM 965 C ILE A 57 -0.078 -3.484 -4.181 1.00 31.22 C ATOM 966 O ILE A 57 -0.901 -3.333 -5.084 1.00 51.54 O ATOM 967 CB ILE A 57 -0.390 -5.383 -2.456 1.00 13.02 C ATOM 968 CG1 ILE A 57 -1.019 -5.767 -1.071 1.00 2.11 C ATOM 969 CG2 ILE A 57 1.098 -5.838 -2.526 1.00 61.13 C ATOM 970 CD1 ILE A 57 -0.965 -7.252 -0.733 1.00 23.22 C ATOM 0 H ILE A 57 -2.577 -3.896 -3.270 1.00 4.41 H new ATOM 0 HA ILE A 57 0.054 -3.305 -1.999 1.00 1.33 H new ATOM 0 HB ILE A 57 -0.931 -5.910 -3.241 1.00 13.02 H new ATOM 0 HG12 ILE A 57 -0.503 -5.212 -0.287 1.00 2.11 H new ATOM 0 HG13 ILE A 57 -2.060 -5.444 -1.059 1.00 2.11 H new ATOM 0 HG21 ILE A 57 1.161 -6.907 -2.324 1.00 61.13 H new ATOM 0 HG22 ILE A 57 1.495 -5.632 -3.520 1.00 61.13 H new ATOM 0 HG23 ILE A 57 1.680 -5.293 -1.783 1.00 61.13 H new ATOM 0 HD11 ILE A 57 -1.423 -7.420 0.242 1.00 23.22 H new ATOM 0 HD12 ILE A 57 -1.507 -7.818 -1.491 1.00 23.22 H new ATOM 0 HD13 ILE A 57 0.074 -7.582 -0.708 1.00 23.22 H new ATOM 982 N SER A 58 1.231 -3.299 -4.358 1.00 53.14 N ATOM 983 CA SER A 58 1.881 -3.229 -5.666 1.00 63.45 C ATOM 984 C SER A 58 3.351 -3.611 -5.490 1.00 51.32 C ATOM 985 O SER A 58 3.971 -3.303 -4.460 1.00 51.31 O ATOM 986 CB SER A 58 1.758 -1.831 -6.316 1.00 42.55 C ATOM 987 OG SER A 58 2.380 -1.807 -7.592 1.00 22.40 O ATOM 0 H SER A 58 1.882 -3.192 -3.580 1.00 53.14 H new ATOM 0 HA SER A 58 1.380 -3.923 -6.341 1.00 63.45 H new ATOM 0 HB2 SER A 58 0.706 -1.563 -6.415 1.00 42.55 H new ATOM 0 HB3 SER A 58 2.218 -1.084 -5.669 1.00 42.55 H new ATOM 0 HG SER A 58 2.137 -2.616 -8.090 1.00 22.40 H new ATOM 993 N ASN A 59 3.895 -4.270 -6.510 1.00 14.22 N ATOM 994 CA ASN A 59 5.265 -4.804 -6.507 1.00 33.24 C ATOM 995 C ASN A 59 6.193 -3.938 -7.381 1.00 60.24 C ATOM 996 O ASN A 59 7.240 -4.409 -7.852 1.00 55.44 O ATOM 997 CB ASN A 59 5.231 -6.293 -6.964 1.00 23.32 C ATOM 998 CG ASN A 59 4.432 -6.575 -8.251 1.00 13.45 C ATOM 999 OD1 ASN A 59 4.269 -5.718 -9.123 1.00 33.12 O ATOM 1000 ND2 ASN A 59 3.935 -7.793 -8.380 1.00 1.35 N ATOM 0 H ASN A 59 3.393 -4.454 -7.378 1.00 14.22 H new ATOM 0 HA ASN A 59 5.676 -4.768 -5.498 1.00 33.24 H new ATOM 0 HB2 ASN A 59 6.256 -6.633 -7.112 1.00 23.32 H new ATOM 0 HB3 ASN A 59 4.810 -6.893 -6.157 1.00 23.32 H new ATOM 0 HD21 ASN A 59 3.403 -8.041 -9.214 1.00 1.35 H new ATOM 0 HD22 ASN A 59 4.083 -8.485 -7.645 1.00 1.35 H new ATOM 1007 N ASP A 60 5.814 -2.657 -7.578 1.00 32.21 N ATOM 1008 CA ASP A 60 6.629 -1.686 -8.323 1.00 41.23 C ATOM 1009 C ASP A 60 6.482 -0.284 -7.712 1.00 63.23 C ATOM 1010 O ASP A 60 5.367 0.153 -7.408 1.00 74.15 O ATOM 1011 CB ASP A 60 6.222 -1.688 -9.811 1.00 51.52 C ATOM 1012 CG ASP A 60 7.067 -0.746 -10.691 1.00 4.24 C ATOM 1013 OD1 ASP A 60 8.131 -1.173 -11.185 1.00 43.54 O ATOM 1014 OD2 ASP A 60 6.671 0.418 -10.885 1.00 21.20 O ATOM 0 H ASP A 60 4.938 -2.273 -7.225 1.00 32.21 H new ATOM 0 HA ASP A 60 7.678 -1.974 -8.254 1.00 41.23 H new ATOM 0 HB2 ASP A 60 6.305 -2.703 -10.199 1.00 51.52 H new ATOM 0 HB3 ASP A 60 5.174 -1.401 -9.891 1.00 51.52 H new ATOM 1019 N LYS A 61 7.629 0.413 -7.589 1.00 32.30 N ATOM 1020 CA LYS A 61 7.744 1.705 -6.887 1.00 74.32 C ATOM 1021 C LYS A 61 7.062 2.839 -7.675 1.00 73.34 C ATOM 1022 O LYS A 61 6.492 3.753 -7.071 1.00 12.21 O ATOM 1023 CB LYS A 61 9.245 2.034 -6.639 1.00 15.13 C ATOM 1024 CG LYS A 61 10.017 0.905 -5.913 1.00 15.42 C ATOM 1025 CD LYS A 61 11.533 1.191 -5.784 1.00 52.24 C ATOM 1026 CE LYS A 61 11.852 2.336 -4.816 1.00 63.02 C ATOM 1027 NZ LYS A 61 13.302 2.665 -4.819 1.00 24.41 N ATOM 0 H LYS A 61 8.513 0.089 -7.980 1.00 32.30 H new ATOM 0 HA LYS A 61 7.231 1.622 -5.929 1.00 74.32 H new ATOM 0 HB2 LYS A 61 9.727 2.235 -7.596 1.00 15.13 H new ATOM 0 HB3 LYS A 61 9.315 2.948 -6.049 1.00 15.13 H new ATOM 0 HG2 LYS A 61 9.594 0.765 -4.918 1.00 15.42 H new ATOM 0 HG3 LYS A 61 9.875 -0.030 -6.454 1.00 15.42 H new ATOM 0 HD2 LYS A 61 12.039 0.287 -5.446 1.00 52.24 H new ATOM 0 HD3 LYS A 61 11.935 1.433 -6.768 1.00 52.24 H new ATOM 0 HE2 LYS A 61 11.277 3.219 -5.094 1.00 63.02 H new ATOM 0 HE3 LYS A 61 11.543 2.058 -3.808 1.00 63.02 H new ATOM 0 HZ1 LYS A 61 13.672 2.612 -3.848 1.00 24.41 H new ATOM 0 HZ2 LYS A 61 13.811 1.986 -5.421 1.00 24.41 H new ATOM 0 HZ3 LYS A 61 13.439 3.627 -5.190 1.00 24.41 H new ATOM 1041 N GLN A 62 7.110 2.760 -9.025 1.00 71.14 N ATOM 1042 CA GLN A 62 6.527 3.795 -9.908 1.00 55.21 C ATOM 1043 C GLN A 62 4.991 3.681 -9.945 1.00 31.33 C ATOM 1044 O GLN A 62 4.306 4.706 -10.032 1.00 20.23 O ATOM 1045 CB GLN A 62 7.112 3.713 -11.345 1.00 23.12 C ATOM 1046 CG GLN A 62 8.631 3.943 -11.426 1.00 2.31 C ATOM 1047 CD GLN A 62 9.163 3.873 -12.860 1.00 35.30 C ATOM 1048 OE1 GLN A 62 9.519 2.804 -13.352 1.00 71.31 O ATOM 1049 NE2 GLN A 62 9.210 5.005 -13.542 1.00 44.31 N ATOM 0 H GLN A 62 7.548 1.988 -9.527 1.00 71.14 H new ATOM 0 HA GLN A 62 6.794 4.767 -9.493 1.00 55.21 H new ATOM 0 HB2 GLN A 62 6.882 2.733 -11.762 1.00 23.12 H new ATOM 0 HB3 GLN A 62 6.611 4.451 -11.971 1.00 23.12 H new ATOM 0 HG2 GLN A 62 8.870 4.918 -11.001 1.00 2.31 H new ATOM 0 HG3 GLN A 62 9.140 3.196 -10.817 1.00 2.31 H new ATOM 0 HE21 GLN A 62 8.907 5.876 -13.106 1.00 44.31 H new ATOM 0 HE22 GLN A 62 9.549 5.007 -14.504 1.00 44.31 H new ATOM 1058 N LEU A 63 4.458 2.434 -9.840 1.00 50.42 N ATOM 1059 CA LEU A 63 2.993 2.186 -9.824 1.00 23.20 C ATOM 1060 C LEU A 63 2.383 2.802 -8.550 1.00 70.13 C ATOM 1061 O LEU A 63 1.342 3.477 -8.600 1.00 23.02 O ATOM 1062 CB LEU A 63 2.655 0.661 -9.896 1.00 24.02 C ATOM 1063 CG LEU A 63 3.193 -0.127 -11.138 1.00 20.40 C ATOM 1064 CD1 LEU A 63 2.655 -1.576 -11.153 1.00 40.10 C ATOM 1065 CD2 LEU A 63 2.893 0.596 -12.469 1.00 63.13 C ATOM 0 H LEU A 63 5.021 1.587 -9.765 1.00 50.42 H new ATOM 0 HA LEU A 63 2.563 2.656 -10.709 1.00 23.20 H new ATOM 0 HB2 LEU A 63 3.045 0.184 -8.997 1.00 24.02 H new ATOM 0 HB3 LEU A 63 1.571 0.552 -9.869 1.00 24.02 H new ATOM 0 HG LEU A 63 4.278 -0.169 -11.042 1.00 20.40 H new ATOM 0 HD11 LEU A 63 3.045 -2.100 -12.026 1.00 40.10 H new ATOM 0 HD12 LEU A 63 2.975 -2.092 -10.248 1.00 40.10 H new ATOM 0 HD13 LEU A 63 1.566 -1.559 -11.196 1.00 40.10 H new ATOM 0 HD21 LEU A 63 3.286 0.009 -13.299 1.00 63.13 H new ATOM 0 HD22 LEU A 63 1.815 0.712 -12.585 1.00 63.13 H new ATOM 0 HD23 LEU A 63 3.365 1.578 -12.464 1.00 63.13 H new ATOM 1077 N LEU A 64 3.088 2.570 -7.419 1.00 74.03 N ATOM 1078 CA LEU A 64 2.760 3.150 -6.103 1.00 4.13 C ATOM 1079 C LEU A 64 2.775 4.676 -6.159 1.00 54.24 C ATOM 1080 O LEU A 64 1.799 5.303 -5.795 1.00 3.04 O ATOM 1081 CB LEU A 64 3.778 2.669 -5.043 1.00 74.04 C ATOM 1082 CG LEU A 64 3.757 1.145 -4.731 1.00 62.35 C ATOM 1083 CD1 LEU A 64 5.064 0.726 -4.056 1.00 62.10 C ATOM 1084 CD2 LEU A 64 2.533 0.765 -3.868 1.00 31.32 C ATOM 0 H LEU A 64 3.910 1.967 -7.398 1.00 74.03 H new ATOM 0 HA LEU A 64 1.758 2.818 -5.829 1.00 4.13 H new ATOM 0 HB2 LEU A 64 4.779 2.939 -5.379 1.00 74.04 H new ATOM 0 HB3 LEU A 64 3.595 3.213 -4.117 1.00 74.04 H new ATOM 0 HG LEU A 64 3.668 0.603 -5.673 1.00 62.35 H new ATOM 0 HD11 LEU A 64 5.037 -0.343 -3.843 1.00 62.10 H new ATOM 0 HD12 LEU A 64 5.902 0.943 -4.719 1.00 62.10 H new ATOM 0 HD13 LEU A 64 5.186 1.279 -3.125 1.00 62.10 H new ATOM 0 HD21 LEU A 64 2.548 -0.306 -3.668 1.00 31.32 H new ATOM 0 HD22 LEU A 64 2.569 1.311 -2.925 1.00 31.32 H new ATOM 0 HD23 LEU A 64 1.618 1.022 -4.401 1.00 31.32 H new ATOM 1096 N LYS A 65 3.885 5.232 -6.682 1.00 64.10 N ATOM 1097 CA LYS A 65 4.155 6.685 -6.726 1.00 15.22 C ATOM 1098 C LYS A 65 3.022 7.451 -7.451 1.00 31.32 C ATOM 1099 O LYS A 65 2.587 8.517 -6.980 1.00 1.02 O ATOM 1100 CB LYS A 65 5.544 6.918 -7.402 1.00 54.45 C ATOM 1101 CG LYS A 65 5.902 8.382 -7.752 1.00 13.31 C ATOM 1102 CD LYS A 65 5.919 9.335 -6.534 1.00 13.14 C ATOM 1103 CE LYS A 65 6.189 10.784 -6.959 1.00 71.02 C ATOM 1104 NZ LYS A 65 6.030 11.742 -5.842 1.00 11.34 N ATOM 0 H LYS A 65 4.634 4.675 -7.094 1.00 64.10 H new ATOM 0 HA LYS A 65 4.185 7.080 -5.710 1.00 15.22 H new ATOM 0 HB2 LYS A 65 6.316 6.526 -6.740 1.00 54.45 H new ATOM 0 HB3 LYS A 65 5.581 6.329 -8.318 1.00 54.45 H new ATOM 0 HG2 LYS A 65 6.882 8.401 -8.229 1.00 13.31 H new ATOM 0 HG3 LYS A 65 5.185 8.756 -8.483 1.00 13.31 H new ATOM 0 HD2 LYS A 65 4.963 9.279 -6.014 1.00 13.14 H new ATOM 0 HD3 LYS A 65 6.685 9.013 -5.829 1.00 13.14 H new ATOM 0 HE2 LYS A 65 7.201 10.860 -7.357 1.00 71.02 H new ATOM 0 HE3 LYS A 65 5.508 11.055 -7.766 1.00 71.02 H new ATOM 0 HZ1 LYS A 65 5.172 12.311 -5.992 1.00 11.34 H new ATOM 0 HZ2 LYS A 65 5.947 11.220 -4.946 1.00 11.34 H new ATOM 0 HZ3 LYS A 65 6.859 12.369 -5.802 1.00 11.34 H new ATOM 1118 N GLU A 66 2.539 6.876 -8.569 1.00 14.32 N ATOM 1119 CA GLU A 66 1.355 7.385 -9.273 1.00 50.31 C ATOM 1120 C GLU A 66 0.105 7.338 -8.368 1.00 53.30 C ATOM 1121 O GLU A 66 -0.541 8.368 -8.155 1.00 22.41 O ATOM 1122 CB GLU A 66 1.110 6.580 -10.573 1.00 13.12 C ATOM 1123 CG GLU A 66 2.255 6.668 -11.601 1.00 24.05 C ATOM 1124 CD GLU A 66 2.536 8.106 -12.077 1.00 12.10 C ATOM 1125 OE1 GLU A 66 1.762 8.619 -12.915 1.00 24.13 O ATOM 1126 OE2 GLU A 66 3.526 8.724 -11.622 1.00 2.11 O ATOM 0 H GLU A 66 2.957 6.053 -9.003 1.00 14.32 H new ATOM 0 HA GLU A 66 1.543 8.426 -9.535 1.00 50.31 H new ATOM 0 HB2 GLU A 66 0.951 5.533 -10.313 1.00 13.12 H new ATOM 0 HB3 GLU A 66 0.191 6.936 -11.039 1.00 13.12 H new ATOM 0 HG2 GLU A 66 3.162 6.254 -11.161 1.00 24.05 H new ATOM 0 HG3 GLU A 66 2.008 6.049 -12.463 1.00 24.05 H new ATOM 1133 N MET A 67 -0.184 6.145 -7.796 1.00 12.12 N ATOM 1134 CA MET A 67 -1.392 5.921 -6.972 1.00 1.21 C ATOM 1135 C MET A 67 -1.422 6.799 -5.698 1.00 54.13 C ATOM 1136 O MET A 67 -2.494 7.165 -5.252 1.00 44.31 O ATOM 1137 CB MET A 67 -1.549 4.425 -6.593 1.00 4.24 C ATOM 1138 CG MET A 67 -1.956 3.503 -7.742 1.00 72.43 C ATOM 1139 SD MET A 67 -2.244 1.799 -7.193 1.00 72.43 S ATOM 1140 CE MET A 67 -0.591 1.223 -6.797 1.00 32.23 C ATOM 0 H MET A 67 0.408 5.320 -7.892 1.00 12.12 H new ATOM 0 HA MET A 67 -2.237 6.219 -7.592 1.00 1.21 H new ATOM 0 HB2 MET A 67 -0.605 4.070 -6.180 1.00 4.24 H new ATOM 0 HB3 MET A 67 -2.294 4.343 -5.801 1.00 4.24 H new ATOM 0 HG2 MET A 67 -2.862 3.889 -8.210 1.00 72.43 H new ATOM 0 HG3 MET A 67 -1.176 3.510 -8.503 1.00 72.43 H new ATOM 0 HE1 MET A 67 -0.380 0.310 -7.355 1.00 32.23 H new ATOM 0 HE2 MET A 67 0.136 1.989 -7.067 1.00 32.23 H new ATOM 0 HE3 MET A 67 -0.523 1.019 -5.728 1.00 32.23 H new ATOM 1150 N LEU A 68 -0.246 7.137 -5.130 1.00 50.43 N ATOM 1151 CA LEU A 68 -0.147 8.015 -3.935 1.00 73.03 C ATOM 1152 C LEU A 68 -0.745 9.403 -4.227 1.00 3.23 C ATOM 1153 O LEU A 68 -1.506 9.945 -3.420 1.00 23.05 O ATOM 1154 CB LEU A 68 1.331 8.160 -3.474 1.00 45.20 C ATOM 1155 CG LEU A 68 2.046 6.840 -3.045 1.00 14.12 C ATOM 1156 CD1 LEU A 68 3.549 7.072 -2.824 1.00 13.23 C ATOM 1157 CD2 LEU A 68 1.391 6.207 -1.797 1.00 52.33 C ATOM 0 H LEU A 68 0.657 6.815 -5.479 1.00 50.43 H new ATOM 0 HA LEU A 68 -0.718 7.549 -3.132 1.00 73.03 H new ATOM 0 HB2 LEU A 68 1.901 8.612 -4.286 1.00 45.20 H new ATOM 0 HB3 LEU A 68 1.363 8.856 -2.636 1.00 45.20 H new ATOM 0 HG LEU A 68 1.930 6.130 -3.864 1.00 14.12 H new ATOM 0 HD11 LEU A 68 4.022 6.136 -2.526 1.00 13.23 H new ATOM 0 HD12 LEU A 68 4.002 7.429 -3.749 1.00 13.23 H new ATOM 0 HD13 LEU A 68 3.691 7.816 -2.040 1.00 13.23 H new ATOM 0 HD21 LEU A 68 1.920 5.291 -1.534 1.00 52.33 H new ATOM 0 HD22 LEU A 68 1.442 6.908 -0.964 1.00 52.33 H new ATOM 0 HD23 LEU A 68 0.348 5.975 -2.012 1.00 52.33 H new ATOM 1169 N GLU A 69 -0.414 9.932 -5.425 1.00 14.22 N ATOM 1170 CA GLU A 69 -0.864 11.262 -5.882 1.00 23.52 C ATOM 1171 C GLU A 69 -2.294 11.207 -6.447 1.00 13.12 C ATOM 1172 O GLU A 69 -3.040 12.186 -6.337 1.00 62.14 O ATOM 1173 CB GLU A 69 0.127 11.849 -6.922 1.00 55.15 C ATOM 1174 CG GLU A 69 1.558 12.061 -6.360 1.00 1.32 C ATOM 1175 CD GLU A 69 2.499 12.897 -7.251 1.00 51.54 C ATOM 1176 OE1 GLU A 69 2.055 13.457 -8.282 1.00 52.23 O ATOM 1177 OE2 GLU A 69 3.696 13.027 -6.894 1.00 13.21 O ATOM 0 H GLU A 69 0.174 9.447 -6.103 1.00 14.22 H new ATOM 0 HA GLU A 69 -0.881 11.925 -5.017 1.00 23.52 H new ATOM 0 HB2 GLU A 69 0.178 11.181 -7.782 1.00 55.15 H new ATOM 0 HB3 GLU A 69 -0.259 12.803 -7.282 1.00 55.15 H new ATOM 0 HG2 GLU A 69 1.480 12.546 -5.387 1.00 1.32 H new ATOM 0 HG3 GLU A 69 2.014 11.085 -6.194 1.00 1.32 H new ATOM 1184 N LEU A 70 -2.679 10.050 -7.022 1.00 10.11 N ATOM 1185 CA LEU A 70 -4.043 9.825 -7.546 1.00 0.40 C ATOM 1186 C LEU A 70 -5.053 9.782 -6.384 1.00 1.00 C ATOM 1187 O LEU A 70 -5.988 10.564 -6.355 1.00 41.23 O ATOM 1188 CB LEU A 70 -4.106 8.534 -8.419 1.00 24.04 C ATOM 1189 CG LEU A 70 -3.341 8.617 -9.784 1.00 32.23 C ATOM 1190 CD1 LEU A 70 -3.326 7.258 -10.518 1.00 70.13 C ATOM 1191 CD2 LEU A 70 -3.928 9.737 -10.677 1.00 50.33 C ATOM 0 H LEU A 70 -2.058 9.249 -7.136 1.00 10.11 H new ATOM 0 HA LEU A 70 -4.311 10.658 -8.196 1.00 0.40 H new ATOM 0 HB2 LEU A 70 -3.699 7.704 -7.842 1.00 24.04 H new ATOM 0 HB3 LEU A 70 -5.152 8.300 -8.620 1.00 24.04 H new ATOM 0 HG LEU A 70 -2.304 8.870 -9.565 1.00 32.23 H new ATOM 0 HD11 LEU A 70 -2.786 7.359 -11.459 1.00 70.13 H new ATOM 0 HD12 LEU A 70 -2.832 6.513 -9.894 1.00 70.13 H new ATOM 0 HD13 LEU A 70 -4.350 6.942 -10.719 1.00 70.13 H new ATOM 0 HD21 LEU A 70 -3.381 9.776 -11.619 1.00 50.33 H new ATOM 0 HD22 LEU A 70 -4.979 9.530 -10.876 1.00 50.33 H new ATOM 0 HD23 LEU A 70 -3.837 10.695 -10.165 1.00 50.33 H new ATOM 1203 N ILE A 71 -4.800 8.904 -5.404 1.00 10.13 N ATOM 1204 CA ILE A 71 -5.609 8.768 -4.164 1.00 3.15 C ATOM 1205 C ILE A 71 -5.626 10.095 -3.348 1.00 71.40 C ATOM 1206 O ILE A 71 -6.622 10.415 -2.677 1.00 13.34 O ATOM 1207 CB ILE A 71 -5.068 7.555 -3.302 1.00 52.12 C ATOM 1208 CG1 ILE A 71 -5.258 6.206 -4.081 1.00 65.52 C ATOM 1209 CG2 ILE A 71 -5.732 7.475 -1.909 1.00 30.22 C ATOM 1210 CD1 ILE A 71 -4.614 4.990 -3.428 1.00 20.12 C ATOM 0 H ILE A 71 -4.016 8.253 -5.442 1.00 10.13 H new ATOM 0 HA ILE A 71 -6.642 8.559 -4.441 1.00 3.15 H new ATOM 0 HB ILE A 71 -4.005 7.728 -3.136 1.00 52.12 H new ATOM 0 HG12 ILE A 71 -6.325 6.016 -4.194 1.00 65.52 H new ATOM 0 HG13 ILE A 71 -4.847 6.322 -5.084 1.00 65.52 H new ATOM 0 HG21 ILE A 71 -5.325 6.626 -1.360 1.00 30.22 H new ATOM 0 HG22 ILE A 71 -5.532 8.393 -1.357 1.00 30.22 H new ATOM 0 HG23 ILE A 71 -6.808 7.349 -2.026 1.00 30.22 H new ATOM 0 HD11 ILE A 71 -4.800 4.107 -4.040 1.00 20.12 H new ATOM 0 HD12 ILE A 71 -3.540 5.151 -3.340 1.00 20.12 H new ATOM 0 HD13 ILE A 71 -5.041 4.841 -2.436 1.00 20.12 H new ATOM 1222 N SER A 72 -4.527 10.875 -3.458 1.00 54.25 N ATOM 1223 CA SER A 72 -4.417 12.210 -2.830 1.00 24.24 C ATOM 1224 C SER A 72 -5.412 13.214 -3.467 1.00 72.43 C ATOM 1225 O SER A 72 -6.028 14.019 -2.756 1.00 65.20 O ATOM 1226 CB SER A 72 -2.969 12.740 -2.944 1.00 4.52 C ATOM 1227 OG SER A 72 -2.766 13.924 -2.187 1.00 41.51 O ATOM 0 H SER A 72 -3.696 10.598 -3.981 1.00 54.25 H new ATOM 0 HA SER A 72 -4.673 12.108 -1.775 1.00 24.24 H new ATOM 0 HB2 SER A 72 -2.275 11.971 -2.604 1.00 4.52 H new ATOM 0 HB3 SER A 72 -2.738 12.937 -3.991 1.00 4.52 H new ATOM 0 HG SER A 72 -1.838 14.221 -2.288 1.00 41.51 H new ATOM 1233 N LYS A 73 -5.570 13.164 -4.814 1.00 73.41 N ATOM 1234 CA LYS A 73 -6.527 14.045 -5.528 1.00 4.22 C ATOM 1235 C LYS A 73 -7.943 13.439 -5.544 1.00 25.23 C ATOM 1236 O LYS A 73 -8.904 14.147 -5.850 1.00 73.24 O ATOM 1237 CB LYS A 73 -6.020 14.449 -6.963 1.00 25.01 C ATOM 1238 CG LYS A 73 -5.721 13.309 -7.987 1.00 55.13 C ATOM 1239 CD LYS A 73 -6.977 12.646 -8.625 1.00 1.32 C ATOM 1240 CE LYS A 73 -7.853 13.630 -9.425 1.00 2.23 C ATOM 1241 NZ LYS A 73 -7.142 14.168 -10.616 1.00 64.23 N ATOM 0 H LYS A 73 -5.052 12.529 -5.422 1.00 73.41 H new ATOM 0 HA LYS A 73 -6.588 14.977 -4.966 1.00 4.22 H new ATOM 0 HB2 LYS A 73 -6.766 15.108 -7.407 1.00 25.01 H new ATOM 0 HB3 LYS A 73 -5.109 15.035 -6.842 1.00 25.01 H new ATOM 0 HG2 LYS A 73 -5.098 13.713 -8.785 1.00 55.13 H new ATOM 0 HG3 LYS A 73 -5.137 12.537 -7.487 1.00 55.13 H new ATOM 0 HD2 LYS A 73 -6.657 11.839 -9.284 1.00 1.32 H new ATOM 0 HD3 LYS A 73 -7.579 12.194 -7.837 1.00 1.32 H new ATOM 0 HE2 LYS A 73 -8.765 13.126 -9.744 1.00 2.23 H new ATOM 0 HE3 LYS A 73 -8.154 14.455 -8.779 1.00 2.23 H new ATOM 0 HZ1 LYS A 73 -7.772 14.812 -11.135 1.00 64.23 H new ATOM 0 HZ2 LYS A 73 -6.294 14.686 -10.309 1.00 64.23 H new ATOM 0 HZ3 LYS A 73 -6.862 13.382 -11.237 1.00 64.23 H new ATOM 1255 N LEU A 74 -8.064 12.120 -5.244 1.00 54.44 N ATOM 1256 CA LEU A 74 -9.378 11.470 -5.027 1.00 72.35 C ATOM 1257 C LEU A 74 -9.957 11.955 -3.689 1.00 43.34 C ATOM 1258 O LEU A 74 -11.165 12.153 -3.561 1.00 21.14 O ATOM 1259 CB LEU A 74 -9.300 9.902 -5.037 1.00 60.12 C ATOM 1260 CG LEU A 74 -8.810 9.213 -6.362 1.00 1.11 C ATOM 1261 CD1 LEU A 74 -8.947 7.668 -6.287 1.00 44.34 C ATOM 1262 CD2 LEU A 74 -9.515 9.797 -7.605 1.00 24.31 C ATOM 0 H LEU A 74 -7.268 11.489 -5.148 1.00 54.44 H new ATOM 0 HA LEU A 74 -10.025 11.753 -5.857 1.00 72.35 H new ATOM 0 HB2 LEU A 74 -8.636 9.592 -4.230 1.00 60.12 H new ATOM 0 HB3 LEU A 74 -10.291 9.513 -4.801 1.00 60.12 H new ATOM 0 HG LEU A 74 -7.748 9.434 -6.469 1.00 1.11 H new ATOM 0 HD11 LEU A 74 -8.599 7.226 -7.221 1.00 44.34 H new ATOM 0 HD12 LEU A 74 -8.346 7.289 -5.460 1.00 44.34 H new ATOM 0 HD13 LEU A 74 -9.992 7.403 -6.128 1.00 44.34 H new ATOM 0 HD21 LEU A 74 -9.149 9.295 -8.500 1.00 24.31 H new ATOM 0 HD22 LEU A 74 -10.591 9.645 -7.518 1.00 24.31 H new ATOM 0 HD23 LEU A 74 -9.304 10.864 -7.676 1.00 24.31 H new ATOM 1274 N GLY A 75 -9.056 12.179 -2.714 1.00 23.22 N ATOM 1275 CA GLY A 75 -9.416 12.688 -1.397 1.00 5.31 C ATOM 1276 C GLY A 75 -9.590 11.570 -0.392 1.00 71.52 C ATOM 1277 O GLY A 75 -10.708 11.304 0.056 1.00 33.23 O ATOM 0 H GLY A 75 -8.057 12.008 -2.828 1.00 23.22 H new ATOM 0 HA2 GLY A 75 -8.644 13.373 -1.048 1.00 5.31 H new ATOM 0 HA3 GLY A 75 -10.341 13.260 -1.469 1.00 5.31 H new ATOM 1281 N TYR A 76 -8.472 10.893 -0.067 1.00 45.55 N ATOM 1282 CA TYR A 76 -8.418 9.787 0.920 1.00 31.44 C ATOM 1283 C TYR A 76 -7.130 9.888 1.736 1.00 23.01 C ATOM 1284 O TYR A 76 -6.123 10.411 1.240 1.00 23.44 O ATOM 1285 CB TYR A 76 -8.499 8.391 0.225 1.00 10.35 C ATOM 1286 CG TYR A 76 -9.835 8.122 -0.471 1.00 34.11 C ATOM 1287 CD1 TYR A 76 -11.021 8.262 0.240 1.00 40.41 C ATOM 1288 CD2 TYR A 76 -9.924 7.786 -1.833 1.00 42.31 C ATOM 1289 CE1 TYR A 76 -12.233 8.095 -0.364 1.00 63.10 C ATOM 1290 CE2 TYR A 76 -11.158 7.598 -2.437 1.00 33.24 C ATOM 1291 CZ TYR A 76 -12.306 7.768 -1.689 1.00 5.41 C ATOM 1292 OH TYR A 76 -13.547 7.623 -2.256 1.00 64.01 O ATOM 0 H TYR A 76 -7.565 11.099 -0.487 1.00 45.55 H new ATOM 0 HA TYR A 76 -9.281 9.881 1.579 1.00 31.44 H new ATOM 0 HB2 TYR A 76 -7.696 8.314 -0.508 1.00 10.35 H new ATOM 0 HB3 TYR A 76 -8.326 7.614 0.970 1.00 10.35 H new ATOM 0 HD1 TYR A 76 -10.982 8.508 1.291 1.00 40.41 H new ATOM 0 HD2 TYR A 76 -9.022 7.673 -2.415 1.00 42.31 H new ATOM 0 HE1 TYR A 76 -13.140 8.222 0.208 1.00 63.10 H new ATOM 0 HE2 TYR A 76 -11.220 7.322 -3.479 1.00 33.24 H new ATOM 0 HH TYR A 76 -13.490 7.005 -3.015 1.00 64.01 H new ATOM 1302 N LYS A 77 -7.172 9.383 2.989 1.00 75.41 N ATOM 1303 CA LYS A 77 -5.991 9.317 3.862 1.00 64.41 C ATOM 1304 C LYS A 77 -5.025 8.255 3.302 1.00 34.15 C ATOM 1305 O LYS A 77 -5.302 7.056 3.355 1.00 14.12 O ATOM 1306 CB LYS A 77 -6.405 9.022 5.336 1.00 3.20 C ATOM 1307 CG LYS A 77 -5.230 8.734 6.314 1.00 62.14 C ATOM 1308 CD LYS A 77 -4.178 9.868 6.398 1.00 71.23 C ATOM 1309 CE LYS A 77 -2.973 9.473 7.269 1.00 21.13 C ATOM 1310 NZ LYS A 77 -1.892 10.492 7.208 1.00 53.21 N ATOM 0 H LYS A 77 -8.021 9.014 3.416 1.00 75.41 H new ATOM 0 HA LYS A 77 -5.480 10.280 3.876 1.00 64.41 H new ATOM 0 HB2 LYS A 77 -6.970 9.874 5.714 1.00 3.20 H new ATOM 0 HB3 LYS A 77 -7.079 8.165 5.342 1.00 3.20 H new ATOM 0 HG2 LYS A 77 -5.637 8.557 7.310 1.00 62.14 H new ATOM 0 HG3 LYS A 77 -4.732 7.815 6.005 1.00 62.14 H new ATOM 0 HD2 LYS A 77 -3.834 10.118 5.395 1.00 71.23 H new ATOM 0 HD3 LYS A 77 -4.643 10.764 6.808 1.00 71.23 H new ATOM 0 HE2 LYS A 77 -3.297 9.347 8.302 1.00 21.13 H new ATOM 0 HE3 LYS A 77 -2.584 8.510 6.937 1.00 21.13 H new ATOM 0 HZ1 LYS A 77 -1.228 10.341 7.994 1.00 53.21 H new ATOM 0 HZ2 LYS A 77 -1.384 10.406 6.304 1.00 53.21 H new ATOM 0 HZ3 LYS A 77 -2.307 11.443 7.283 1.00 53.21 H new ATOM 1324 N VAL A 78 -3.900 8.729 2.747 1.00 75.10 N ATOM 1325 CA VAL A 78 -2.937 7.896 2.028 1.00 15.24 C ATOM 1326 C VAL A 78 -1.896 7.341 3.016 1.00 23.22 C ATOM 1327 O VAL A 78 -1.323 8.083 3.825 1.00 35.31 O ATOM 1328 CB VAL A 78 -2.210 8.717 0.892 1.00 74.15 C ATOM 1329 CG1 VAL A 78 -1.286 7.815 0.044 1.00 73.44 C ATOM 1330 CG2 VAL A 78 -3.225 9.471 -0.002 1.00 1.12 C ATOM 0 H VAL A 78 -3.634 9.713 2.788 1.00 75.10 H new ATOM 0 HA VAL A 78 -3.477 7.073 1.560 1.00 15.24 H new ATOM 0 HB VAL A 78 -1.585 9.462 1.383 1.00 74.15 H new ATOM 0 HG11 VAL A 78 -0.802 8.413 -0.728 1.00 73.44 H new ATOM 0 HG12 VAL A 78 -0.527 7.367 0.685 1.00 73.44 H new ATOM 0 HG13 VAL A 78 -1.876 7.027 -0.424 1.00 73.44 H new ATOM 0 HG21 VAL A 78 -2.689 10.025 -0.773 1.00 1.12 H new ATOM 0 HG22 VAL A 78 -3.898 8.754 -0.472 1.00 1.12 H new ATOM 0 HG23 VAL A 78 -3.803 10.165 0.609 1.00 1.12 H new ATOM 1340 N PHE A 79 -1.683 6.032 2.944 1.00 25.44 N ATOM 1341 CA PHE A 79 -0.697 5.306 3.744 1.00 71.15 C ATOM 1342 C PHE A 79 0.154 4.476 2.762 1.00 52.43 C ATOM 1343 O PHE A 79 -0.366 4.011 1.751 1.00 74.23 O ATOM 1344 CB PHE A 79 -1.442 4.401 4.776 1.00 44.12 C ATOM 1345 CG PHE A 79 -0.569 3.779 5.877 1.00 45.21 C ATOM 1346 CD1 PHE A 79 0.264 2.688 5.617 1.00 14.10 C ATOM 1347 CD2 PHE A 79 -0.586 4.284 7.179 1.00 2.02 C ATOM 1348 CE1 PHE A 79 1.039 2.125 6.610 1.00 45.52 C ATOM 1349 CE2 PHE A 79 0.191 3.717 8.172 1.00 53.24 C ATOM 1350 CZ PHE A 79 1.004 2.644 7.886 1.00 75.13 C ATOM 0 H PHE A 79 -2.205 5.427 2.310 1.00 25.44 H new ATOM 0 HA PHE A 79 -0.050 5.977 4.309 1.00 71.15 H new ATOM 0 HB2 PHE A 79 -2.224 4.993 5.251 1.00 44.12 H new ATOM 0 HB3 PHE A 79 -1.937 3.596 4.233 1.00 44.12 H new ATOM 0 HD1 PHE A 79 0.302 2.277 4.619 1.00 14.10 H new ATOM 0 HD2 PHE A 79 -1.215 5.130 7.414 1.00 2.02 H new ATOM 0 HE1 PHE A 79 1.672 1.279 6.388 1.00 45.52 H new ATOM 0 HE2 PHE A 79 0.160 4.117 9.175 1.00 53.24 H new ATOM 0 HZ PHE A 79 1.615 2.208 8.663 1.00 75.13 H new ATOM 1360 N LEU A 80 1.452 4.310 3.048 1.00 24.25 N ATOM 1361 CA LEU A 80 2.363 3.509 2.207 1.00 0.21 C ATOM 1362 C LEU A 80 3.294 2.696 3.114 1.00 22.43 C ATOM 1363 O LEU A 80 4.228 3.235 3.680 1.00 33.22 O ATOM 1364 CB LEU A 80 3.187 4.418 1.242 1.00 0.13 C ATOM 1365 CG LEU A 80 4.239 3.690 0.319 1.00 44.54 C ATOM 1366 CD1 LEU A 80 3.568 2.778 -0.727 1.00 4.23 C ATOM 1367 CD2 LEU A 80 5.188 4.701 -0.354 1.00 13.45 C ATOM 0 H LEU A 80 1.903 4.724 3.864 1.00 24.25 H new ATOM 0 HA LEU A 80 1.773 2.832 1.589 1.00 0.21 H new ATOM 0 HB2 LEU A 80 2.489 4.959 0.603 1.00 0.13 H new ATOM 0 HB3 LEU A 80 3.714 5.162 1.840 1.00 0.13 H new ATOM 0 HG LEU A 80 4.834 3.047 0.967 1.00 44.54 H new ATOM 0 HD11 LEU A 80 4.334 2.300 -1.338 1.00 4.23 H new ATOM 0 HD12 LEU A 80 2.979 2.014 -0.219 1.00 4.23 H new ATOM 0 HD13 LEU A 80 2.916 3.374 -1.365 1.00 4.23 H new ATOM 0 HD21 LEU A 80 5.901 4.168 -0.983 1.00 13.45 H new ATOM 0 HD22 LEU A 80 4.609 5.392 -0.967 1.00 13.45 H new ATOM 0 HD23 LEU A 80 5.727 5.260 0.411 1.00 13.45 H new ATOM 1379 N LEU A 81 3.007 1.403 3.276 1.00 11.51 N ATOM 1380 CA LEU A 81 3.907 0.471 3.968 1.00 65.34 C ATOM 1381 C LEU A 81 4.804 -0.174 2.904 1.00 10.31 C ATOM 1382 O LEU A 81 4.321 -0.946 2.100 1.00 2.40 O ATOM 1383 CB LEU A 81 3.077 -0.609 4.725 1.00 13.54 C ATOM 1384 CG LEU A 81 3.898 -1.769 5.378 1.00 22.01 C ATOM 1385 CD1 LEU A 81 4.932 -1.226 6.383 1.00 55.22 C ATOM 1386 CD2 LEU A 81 2.963 -2.818 6.020 1.00 61.25 C ATOM 0 H LEU A 81 2.149 0.971 2.934 1.00 11.51 H new ATOM 0 HA LEU A 81 4.517 0.992 4.706 1.00 65.34 H new ATOM 0 HB2 LEU A 81 2.500 -0.114 5.506 1.00 13.54 H new ATOM 0 HB3 LEU A 81 2.362 -1.044 4.027 1.00 13.54 H new ATOM 0 HG LEU A 81 4.455 -2.273 4.588 1.00 22.01 H new ATOM 0 HD11 LEU A 81 5.486 -2.057 6.820 1.00 55.22 H new ATOM 0 HD12 LEU A 81 5.624 -0.559 5.869 1.00 55.22 H new ATOM 0 HD13 LEU A 81 4.419 -0.678 7.173 1.00 55.22 H new ATOM 0 HD21 LEU A 81 3.560 -3.613 6.466 1.00 61.25 H new ATOM 0 HD22 LEU A 81 2.358 -2.342 6.791 1.00 61.25 H new ATOM 0 HD23 LEU A 81 2.310 -3.240 5.256 1.00 61.25 H new ATOM 1398 N LEU A 82 6.105 0.132 2.901 1.00 5.20 N ATOM 1399 CA LEU A 82 7.029 -0.377 1.866 1.00 12.33 C ATOM 1400 C LEU A 82 8.022 -1.389 2.467 1.00 62.44 C ATOM 1401 O LEU A 82 8.432 -1.255 3.632 1.00 73.24 O ATOM 1402 CB LEU A 82 7.706 0.820 1.105 1.00 14.41 C ATOM 1403 CG LEU A 82 8.411 1.948 1.948 1.00 73.45 C ATOM 1404 CD1 LEU A 82 9.794 1.529 2.473 1.00 64.24 C ATOM 1405 CD2 LEU A 82 8.527 3.256 1.142 1.00 5.55 C ATOM 0 H LEU A 82 6.548 0.728 3.600 1.00 5.20 H new ATOM 0 HA LEU A 82 6.470 -0.934 1.114 1.00 12.33 H new ATOM 0 HB2 LEU A 82 8.448 0.402 0.425 1.00 14.41 H new ATOM 0 HB3 LEU A 82 6.942 1.295 0.490 1.00 14.41 H new ATOM 0 HG LEU A 82 7.773 2.117 2.816 1.00 73.45 H new ATOM 0 HD11 LEU A 82 10.229 2.348 3.046 1.00 64.24 H new ATOM 0 HD12 LEU A 82 9.690 0.653 3.113 1.00 64.24 H new ATOM 0 HD13 LEU A 82 10.445 1.288 1.632 1.00 64.24 H new ATOM 0 HD21 LEU A 82 9.018 4.016 1.750 1.00 5.55 H new ATOM 0 HD22 LEU A 82 9.114 3.077 0.241 1.00 5.55 H new ATOM 0 HD23 LEU A 82 7.531 3.601 0.864 1.00 5.55 H new ATOM 1417 N GLN A 83 8.368 -2.419 1.664 1.00 65.13 N ATOM 1418 CA GLN A 83 9.248 -3.527 2.076 1.00 0.03 C ATOM 1419 C GLN A 83 9.900 -4.158 0.834 1.00 44.44 C ATOM 1420 O GLN A 83 9.322 -4.154 -0.267 1.00 2.24 O ATOM 1421 CB GLN A 83 8.463 -4.600 2.923 1.00 52.12 C ATOM 1422 CG GLN A 83 7.961 -5.873 2.202 1.00 25.11 C ATOM 1423 CD GLN A 83 9.017 -6.995 2.042 1.00 14.12 C ATOM 1424 OE1 GLN A 83 9.904 -7.152 3.024 1.00 0.32 O flip ATOM 1425 NE2 GLN A 83 9.003 -7.739 1.057 1.00 3.13 N flip ATOM 0 H GLN A 83 8.039 -2.502 0.702 1.00 65.13 H new ATOM 0 HA GLN A 83 10.033 -3.130 2.719 1.00 0.03 H new ATOM 0 HB2 GLN A 83 9.108 -4.914 3.743 1.00 52.12 H new ATOM 0 HB3 GLN A 83 7.599 -4.106 3.368 1.00 52.12 H new ATOM 0 HG2 GLN A 83 7.109 -6.272 2.753 1.00 25.11 H new ATOM 0 HG3 GLN A 83 7.598 -5.593 1.213 1.00 25.11 H new ATOM 0 HE21 GLN A 83 8.313 -7.596 0.320 1.00 3.13 H new ATOM 0 HE22 GLN A 83 9.682 -8.497 0.980 1.00 3.13 H new ATOM 1434 N ASP A 84 11.105 -4.693 1.044 1.00 61.22 N ATOM 1435 CA ASP A 84 11.839 -5.492 0.050 1.00 34.52 C ATOM 1436 C ASP A 84 12.972 -6.244 0.776 1.00 45.13 C ATOM 1437 O ASP A 84 13.208 -6.018 1.977 1.00 41.45 O ATOM 1438 CB ASP A 84 12.389 -4.585 -1.098 1.00 61.24 C ATOM 1439 CG ASP A 84 12.727 -5.378 -2.370 1.00 1.44 C ATOM 1440 OD1 ASP A 84 11.800 -5.686 -3.147 1.00 51.55 O ATOM 1441 OD2 ASP A 84 13.908 -5.723 -2.591 1.00 74.13 O ATOM 0 H ASP A 84 11.610 -4.583 1.923 1.00 61.22 H new ATOM 0 HA ASP A 84 11.171 -6.214 -0.418 1.00 34.52 H new ATOM 0 HB2 ASP A 84 11.650 -3.820 -1.337 1.00 61.24 H new ATOM 0 HB3 ASP A 84 13.282 -4.067 -0.750 1.00 61.24 H new ATOM 1446 N GLN A 85 13.659 -7.149 0.058 1.00 32.33 N ATOM 1447 CA GLN A 85 14.861 -7.843 0.565 1.00 35.14 C ATOM 1448 C GLN A 85 16.101 -6.926 0.469 1.00 4.32 C ATOM 1449 O GLN A 85 17.133 -7.203 1.087 1.00 52.33 O ATOM 1450 CB GLN A 85 15.083 -9.171 -0.215 1.00 64.31 C ATOM 1451 CG GLN A 85 13.916 -10.187 -0.100 1.00 44.33 C ATOM 1452 CD GLN A 85 13.608 -10.639 1.340 1.00 10.41 C ATOM 1453 OE1 GLN A 85 14.489 -10.692 2.200 1.00 51.24 O ATOM 1454 NE2 GLN A 85 12.357 -10.992 1.606 1.00 60.43 N ATOM 0 H GLN A 85 13.399 -7.422 -0.890 1.00 32.33 H new ATOM 0 HA GLN A 85 14.708 -8.086 1.616 1.00 35.14 H new ATOM 0 HB2 GLN A 85 15.242 -8.937 -1.268 1.00 64.31 H new ATOM 0 HB3 GLN A 85 15.996 -9.643 0.148 1.00 64.31 H new ATOM 0 HG2 GLN A 85 13.018 -9.741 -0.528 1.00 44.33 H new ATOM 0 HG3 GLN A 85 14.154 -11.065 -0.701 1.00 44.33 H new ATOM 0 HE21 GLN A 85 11.646 -10.939 0.877 1.00 60.43 H new ATOM 0 HE22 GLN A 85 12.106 -11.316 2.540 1.00 60.43 H new ATOM 1463 N ASP A 86 15.981 -5.843 -0.323 1.00 73.42 N ATOM 1464 CA ASP A 86 16.999 -4.780 -0.446 1.00 5.24 C ATOM 1465 C ASP A 86 16.578 -3.558 0.393 1.00 73.35 C ATOM 1466 O ASP A 86 15.397 -3.225 0.440 1.00 40.22 O ATOM 1467 CB ASP A 86 17.181 -4.381 -1.934 1.00 72.33 C ATOM 1468 CG ASP A 86 18.182 -3.223 -2.139 1.00 72.52 C ATOM 1469 OD1 ASP A 86 19.408 -3.464 -2.084 1.00 14.14 O ATOM 1470 OD2 ASP A 86 17.752 -2.069 -2.336 1.00 41.43 O ATOM 0 H ASP A 86 15.160 -5.679 -0.906 1.00 73.42 H new ATOM 0 HA ASP A 86 17.953 -5.153 -0.072 1.00 5.24 H new ATOM 0 HB2 ASP A 86 17.522 -5.250 -2.497 1.00 72.33 H new ATOM 0 HB3 ASP A 86 16.214 -4.093 -2.346 1.00 72.33 H new ATOM 1475 N GLU A 87 17.560 -2.898 1.036 1.00 62.31 N ATOM 1476 CA GLU A 87 17.320 -1.742 1.929 1.00 53.21 C ATOM 1477 C GLU A 87 17.369 -0.404 1.162 1.00 64.25 C ATOM 1478 O GLU A 87 16.581 0.503 1.446 1.00 74.21 O ATOM 1479 CB GLU A 87 18.367 -1.737 3.083 1.00 51.05 C ATOM 1480 CG GLU A 87 18.251 -0.557 4.084 1.00 11.01 C ATOM 1481 CD GLU A 87 16.919 -0.515 4.859 1.00 64.32 C ATOM 1482 OE1 GLU A 87 15.931 0.055 4.352 1.00 4.22 O ATOM 1483 OE2 GLU A 87 16.859 -1.038 5.991 1.00 75.03 O ATOM 0 H GLU A 87 18.545 -3.150 0.952 1.00 62.31 H new ATOM 0 HA GLU A 87 16.318 -1.845 2.345 1.00 53.21 H new ATOM 0 HB2 GLU A 87 18.276 -2.671 3.637 1.00 51.05 H new ATOM 0 HB3 GLU A 87 19.365 -1.722 2.645 1.00 51.05 H new ATOM 0 HG2 GLU A 87 19.072 -0.619 4.798 1.00 11.01 H new ATOM 0 HG3 GLU A 87 18.372 0.380 3.540 1.00 11.01 H new ATOM 1490 N ASN A 88 18.289 -0.305 0.178 1.00 5.34 N ATOM 1491 CA ASN A 88 18.610 0.972 -0.519 1.00 22.42 C ATOM 1492 C ASN A 88 17.367 1.600 -1.164 1.00 21.23 C ATOM 1493 O ASN A 88 17.142 2.811 -1.054 1.00 71.33 O ATOM 1494 CB ASN A 88 19.680 0.749 -1.611 1.00 71.34 C ATOM 1495 CG ASN A 88 20.965 0.134 -1.072 1.00 60.22 C ATOM 1496 OD1 ASN A 88 21.117 -1.087 -1.055 1.00 73.33 O ATOM 1497 ND2 ASN A 88 21.893 0.965 -0.614 1.00 64.34 N ATOM 0 H ASN A 88 18.831 -1.101 -0.159 1.00 5.34 H new ATOM 0 HA ASN A 88 18.993 1.654 0.240 1.00 22.42 H new ATOM 0 HB2 ASN A 88 19.271 0.100 -2.385 1.00 71.34 H new ATOM 0 HB3 ASN A 88 19.912 1.703 -2.084 1.00 71.34 H new ATOM 0 HD21 ASN A 88 22.764 0.596 -0.233 1.00 64.34 H new ATOM 0 HD22 ASN A 88 21.735 1.972 -0.643 1.00 64.34 H new ATOM 1504 N GLU A 89 16.574 0.747 -1.834 1.00 64.33 N ATOM 1505 CA GLU A 89 15.339 1.152 -2.510 1.00 72.13 C ATOM 1506 C GLU A 89 14.300 1.683 -1.516 1.00 60.04 C ATOM 1507 O GLU A 89 13.587 2.641 -1.823 1.00 65.20 O ATOM 1508 CB GLU A 89 14.750 -0.041 -3.315 1.00 42.32 C ATOM 1509 CG GLU A 89 15.660 -0.556 -4.452 1.00 65.14 C ATOM 1510 CD GLU A 89 16.020 0.525 -5.487 1.00 62.32 C ATOM 1511 OE1 GLU A 89 15.127 0.932 -6.262 1.00 32.13 O ATOM 1512 OE2 GLU A 89 17.181 0.986 -5.514 1.00 53.52 O ATOM 0 H GLU A 89 16.777 -0.249 -1.920 1.00 64.33 H new ATOM 0 HA GLU A 89 15.587 1.961 -3.197 1.00 72.13 H new ATOM 0 HB2 GLU A 89 14.548 -0.863 -2.628 1.00 42.32 H new ATOM 0 HB3 GLU A 89 13.793 0.261 -3.741 1.00 42.32 H new ATOM 0 HG2 GLU A 89 16.578 -0.954 -4.020 1.00 65.14 H new ATOM 0 HG3 GLU A 89 15.162 -1.382 -4.959 1.00 65.14 H new ATOM 1519 N LEU A 90 14.242 1.058 -0.327 1.00 62.22 N ATOM 1520 CA LEU A 90 13.223 1.340 0.696 1.00 74.34 C ATOM 1521 C LEU A 90 13.446 2.694 1.368 1.00 34.40 C ATOM 1522 O LEU A 90 12.534 3.518 1.428 1.00 74.44 O ATOM 1523 CB LEU A 90 13.241 0.216 1.768 1.00 23.10 C ATOM 1524 CG LEU A 90 12.957 -1.222 1.256 1.00 75.12 C ATOM 1525 CD1 LEU A 90 12.909 -2.228 2.435 1.00 52.13 C ATOM 1526 CD2 LEU A 90 11.671 -1.249 0.396 1.00 24.12 C ATOM 0 H LEU A 90 14.907 0.337 -0.048 1.00 62.22 H new ATOM 0 HA LEU A 90 12.253 1.373 0.200 1.00 74.34 H new ATOM 0 HB2 LEU A 90 14.217 0.221 2.253 1.00 23.10 H new ATOM 0 HB3 LEU A 90 12.503 0.460 2.533 1.00 23.10 H new ATOM 0 HG LEU A 90 13.777 -1.536 0.611 1.00 75.12 H new ATOM 0 HD11 LEU A 90 12.709 -3.229 2.052 1.00 52.13 H new ATOM 0 HD12 LEU A 90 13.866 -2.224 2.956 1.00 52.13 H new ATOM 0 HD13 LEU A 90 12.118 -1.940 3.127 1.00 52.13 H new ATOM 0 HD21 LEU A 90 11.488 -2.265 0.046 1.00 24.12 H new ATOM 0 HD22 LEU A 90 10.825 -0.914 0.996 1.00 24.12 H new ATOM 0 HD23 LEU A 90 11.792 -0.587 -0.461 1.00 24.12 H new ATOM 1538 N GLU A 91 14.665 2.890 1.889 1.00 32.21 N ATOM 1539 CA GLU A 91 15.032 4.078 2.679 1.00 4.44 C ATOM 1540 C GLU A 91 14.904 5.374 1.856 1.00 33.13 C ATOM 1541 O GLU A 91 14.350 6.378 2.346 1.00 61.34 O ATOM 1542 CB GLU A 91 16.465 3.906 3.253 1.00 30.35 C ATOM 1543 CG GLU A 91 17.576 3.701 2.197 1.00 45.54 C ATOM 1544 CD GLU A 91 18.976 3.597 2.813 1.00 74.13 C ATOM 1545 OE1 GLU A 91 19.555 4.650 3.160 1.00 12.44 O ATOM 1546 OE2 GLU A 91 19.504 2.473 2.950 1.00 32.32 O ATOM 0 H GLU A 91 15.430 2.226 1.775 1.00 32.21 H new ATOM 0 HA GLU A 91 14.332 4.168 3.510 1.00 4.44 H new ATOM 0 HB2 GLU A 91 16.709 4.786 3.848 1.00 30.35 H new ATOM 0 HB3 GLU A 91 16.468 3.052 3.931 1.00 30.35 H new ATOM 0 HG2 GLU A 91 17.367 2.795 1.629 1.00 45.54 H new ATOM 0 HG3 GLU A 91 17.556 4.531 1.491 1.00 45.54 H new ATOM 1553 N GLU A 92 15.365 5.313 0.585 1.00 4.55 N ATOM 1554 CA GLU A 92 15.372 6.480 -0.304 1.00 74.15 C ATOM 1555 C GLU A 92 13.959 6.784 -0.804 1.00 3.32 C ATOM 1556 O GLU A 92 13.643 7.932 -1.043 1.00 52.14 O ATOM 1557 CB GLU A 92 16.410 6.326 -1.467 1.00 65.30 C ATOM 1558 CG GLU A 92 16.062 5.358 -2.637 1.00 62.24 C ATOM 1559 CD GLU A 92 15.068 5.919 -3.686 1.00 61.24 C ATOM 1560 OE1 GLU A 92 15.230 7.090 -4.120 1.00 63.41 O ATOM 1561 OE2 GLU A 92 14.114 5.200 -4.065 1.00 4.14 O ATOM 0 H GLU A 92 15.736 4.463 0.159 1.00 4.55 H new ATOM 0 HA GLU A 92 15.703 7.344 0.272 1.00 74.15 H new ATOM 0 HB2 GLU A 92 16.583 7.314 -1.892 1.00 65.30 H new ATOM 0 HB3 GLU A 92 17.353 5.997 -1.031 1.00 65.30 H new ATOM 0 HG2 GLU A 92 16.986 5.083 -3.146 1.00 62.24 H new ATOM 0 HG3 GLU A 92 15.644 4.443 -2.218 1.00 62.24 H new ATOM 1568 N PHE A 93 13.117 5.737 -0.977 1.00 70.42 N ATOM 1569 CA PHE A 93 11.707 5.903 -1.388 1.00 55.34 C ATOM 1570 C PHE A 93 10.914 6.554 -0.242 1.00 24.30 C ATOM 1571 O PHE A 93 10.254 7.564 -0.450 1.00 33.21 O ATOM 1572 CB PHE A 93 11.092 4.527 -1.809 1.00 65.11 C ATOM 1573 CG PHE A 93 9.742 4.568 -2.562 1.00 72.04 C ATOM 1574 CD1 PHE A 93 9.462 5.558 -3.511 1.00 21.32 C ATOM 1575 CD2 PHE A 93 8.757 3.595 -2.337 1.00 23.32 C ATOM 1576 CE1 PHE A 93 8.251 5.576 -4.193 1.00 42.44 C ATOM 1577 CE2 PHE A 93 7.551 3.618 -3.020 1.00 35.32 C ATOM 1578 CZ PHE A 93 7.299 4.607 -3.947 1.00 40.43 C ATOM 0 H PHE A 93 13.394 4.765 -0.837 1.00 70.42 H new ATOM 0 HA PHE A 93 11.655 6.558 -2.257 1.00 55.34 H new ATOM 0 HB2 PHE A 93 11.816 4.009 -2.438 1.00 65.11 H new ATOM 0 HB3 PHE A 93 10.962 3.924 -0.910 1.00 65.11 H new ATOM 0 HD1 PHE A 93 10.199 6.320 -3.717 1.00 21.32 H new ATOM 0 HD2 PHE A 93 8.942 2.812 -1.617 1.00 23.32 H new ATOM 0 HE1 PHE A 93 8.054 6.351 -4.918 1.00 42.44 H new ATOM 0 HE2 PHE A 93 6.807 2.860 -2.826 1.00 35.32 H new ATOM 0 HZ PHE A 93 6.359 4.624 -4.479 1.00 40.43 H new ATOM 1588 N LYS A 94 11.071 5.992 0.982 1.00 32.52 N ATOM 1589 CA LYS A 94 10.342 6.426 2.196 1.00 34.32 C ATOM 1590 C LYS A 94 10.543 7.927 2.482 1.00 61.33 C ATOM 1591 O LYS A 94 9.566 8.657 2.637 1.00 73.11 O ATOM 1592 CB LYS A 94 10.793 5.608 3.449 1.00 32.13 C ATOM 1593 CG LYS A 94 9.945 5.887 4.733 1.00 51.12 C ATOM 1594 CD LYS A 94 10.727 5.709 6.059 1.00 54.41 C ATOM 1595 CE LYS A 94 11.884 6.718 6.204 1.00 25.44 C ATOM 1596 NZ LYS A 94 12.503 6.667 7.558 1.00 62.22 N ATOM 0 H LYS A 94 11.713 5.218 1.154 1.00 32.52 H new ATOM 0 HA LYS A 94 9.285 6.243 2.002 1.00 34.32 H new ATOM 0 HB2 LYS A 94 10.738 4.545 3.214 1.00 32.13 H new ATOM 0 HB3 LYS A 94 11.838 5.834 3.661 1.00 32.13 H new ATOM 0 HG2 LYS A 94 9.558 6.905 4.686 1.00 51.12 H new ATOM 0 HG3 LYS A 94 9.084 5.219 4.739 1.00 51.12 H new ATOM 0 HD2 LYS A 94 10.042 5.824 6.899 1.00 54.41 H new ATOM 0 HD3 LYS A 94 11.125 4.695 6.109 1.00 54.41 H new ATOM 0 HE2 LYS A 94 12.643 6.510 5.450 1.00 25.44 H new ATOM 0 HE3 LYS A 94 11.513 7.725 6.013 1.00 25.44 H new ATOM 0 HZ1 LYS A 94 13.276 7.361 7.613 1.00 62.22 H new ATOM 0 HZ2 LYS A 94 11.785 6.891 8.276 1.00 62.22 H new ATOM 0 HZ3 LYS A 94 12.881 5.714 7.731 1.00 62.22 H new ATOM 1610 N ARG A 95 11.826 8.365 2.521 1.00 63.50 N ATOM 1611 CA ARG A 95 12.198 9.761 2.874 1.00 45.11 C ATOM 1612 C ARG A 95 11.575 10.801 1.909 1.00 52.22 C ATOM 1613 O ARG A 95 11.310 11.946 2.307 1.00 30.33 O ATOM 1614 CB ARG A 95 13.741 9.918 2.923 1.00 1.52 C ATOM 1615 CG ARG A 95 14.454 9.709 1.567 1.00 44.33 C ATOM 1616 CD ARG A 95 15.983 9.762 1.670 1.00 22.11 C ATOM 1617 NE ARG A 95 16.478 11.079 2.086 1.00 31.22 N ATOM 1618 CZ ARG A 95 17.713 11.321 2.558 1.00 43.54 C ATOM 1619 NH1 ARG A 95 18.602 10.333 2.688 1.00 42.44 N ATOM 1620 NH2 ARG A 95 18.056 12.564 2.864 1.00 20.43 N ATOM 0 H ARG A 95 12.626 7.768 2.311 1.00 63.50 H new ATOM 0 HA ARG A 95 11.789 9.960 3.865 1.00 45.11 H new ATOM 0 HB2 ARG A 95 13.980 10.915 3.294 1.00 1.52 H new ATOM 0 HB3 ARG A 95 14.143 9.205 3.643 1.00 1.52 H new ATOM 0 HG2 ARG A 95 14.158 8.745 1.154 1.00 44.33 H new ATOM 0 HG3 ARG A 95 14.117 10.473 0.866 1.00 44.33 H new ATOM 0 HD2 ARG A 95 16.321 9.010 2.383 1.00 22.11 H new ATOM 0 HD3 ARG A 95 16.417 9.504 0.704 1.00 22.11 H new ATOM 0 HE ARG A 95 15.838 11.869 2.012 1.00 31.22 H new ATOM 0 HH11 ARG A 95 18.347 9.380 2.428 1.00 42.44 H new ATOM 0 HH12 ARG A 95 19.536 10.531 3.048 1.00 42.44 H new ATOM 0 HH21 ARG A 95 17.386 13.323 2.740 1.00 20.43 H new ATOM 0 HH22 ARG A 95 18.990 12.762 3.223 1.00 20.43 H new ATOM 1634 N LYS A 96 11.333 10.383 0.647 1.00 63.10 N ATOM 1635 CA LYS A 96 10.655 11.225 -0.361 1.00 42.32 C ATOM 1636 C LYS A 96 9.183 11.387 0.018 1.00 44.20 C ATOM 1637 O LYS A 96 8.673 12.500 0.120 1.00 10.14 O ATOM 1638 CB LYS A 96 10.750 10.608 -1.787 1.00 51.41 C ATOM 1639 CG LYS A 96 12.174 10.268 -2.246 1.00 3.40 C ATOM 1640 CD LYS A 96 13.127 11.482 -2.370 1.00 40.45 C ATOM 1641 CE LYS A 96 14.575 11.048 -2.686 1.00 15.35 C ATOM 1642 NZ LYS A 96 14.652 10.095 -3.833 1.00 21.03 N ATOM 0 H LYS A 96 11.600 9.461 0.302 1.00 63.10 H new ATOM 0 HA LYS A 96 11.154 12.194 -0.377 1.00 42.32 H new ATOM 0 HB2 LYS A 96 10.147 9.700 -1.816 1.00 51.41 H new ATOM 0 HB3 LYS A 96 10.310 11.306 -2.500 1.00 51.41 H new ATOM 0 HG2 LYS A 96 12.606 9.556 -1.543 1.00 3.40 H new ATOM 0 HG3 LYS A 96 12.119 9.768 -3.213 1.00 3.40 H new ATOM 0 HD2 LYS A 96 12.768 12.147 -3.156 1.00 40.45 H new ATOM 0 HD3 LYS A 96 13.113 12.051 -1.440 1.00 40.45 H new ATOM 0 HE2 LYS A 96 15.174 11.931 -2.911 1.00 15.35 H new ATOM 0 HE3 LYS A 96 15.012 10.583 -1.802 1.00 15.35 H new ATOM 0 HZ1 LYS A 96 15.520 10.275 -4.376 1.00 21.03 H new ATOM 0 HZ2 LYS A 96 14.665 9.119 -3.473 1.00 21.03 H new ATOM 0 HZ3 LYS A 96 13.825 10.226 -4.449 1.00 21.03 H new ATOM 1656 N ILE A 97 8.541 10.234 0.270 1.00 53.32 N ATOM 1657 CA ILE A 97 7.089 10.125 0.481 1.00 51.45 C ATOM 1658 C ILE A 97 6.652 10.808 1.816 1.00 23.14 C ATOM 1659 O ILE A 97 5.524 11.313 1.917 1.00 32.22 O ATOM 1660 CB ILE A 97 6.652 8.604 0.409 1.00 14.43 C ATOM 1661 CG1 ILE A 97 7.204 7.909 -0.887 1.00 24.00 C ATOM 1662 CG2 ILE A 97 5.124 8.431 0.488 1.00 14.31 C ATOM 1663 CD1 ILE A 97 6.828 8.565 -2.211 1.00 65.13 C ATOM 0 H ILE A 97 9.024 9.338 0.334 1.00 53.32 H new ATOM 0 HA ILE A 97 6.573 10.662 -0.315 1.00 51.45 H new ATOM 0 HB ILE A 97 7.089 8.118 1.281 1.00 14.43 H new ATOM 0 HG12 ILE A 97 8.291 7.871 -0.819 1.00 24.00 H new ATOM 0 HG13 ILE A 97 6.849 6.878 -0.902 1.00 24.00 H new ATOM 0 HG21 ILE A 97 4.875 7.371 0.435 1.00 14.31 H new ATOM 0 HG22 ILE A 97 4.759 8.843 1.429 1.00 14.31 H new ATOM 0 HG23 ILE A 97 4.655 8.957 -0.344 1.00 14.31 H new ATOM 0 HD11 ILE A 97 7.264 7.999 -3.034 1.00 65.13 H new ATOM 0 HD12 ILE A 97 5.743 8.579 -2.315 1.00 65.13 H new ATOM 0 HD13 ILE A 97 7.208 9.587 -2.232 1.00 65.13 H new ATOM 1675 N GLU A 98 7.572 10.838 2.821 1.00 65.35 N ATOM 1676 CA GLU A 98 7.405 11.640 4.071 1.00 52.33 C ATOM 1677 C GLU A 98 7.308 13.144 3.743 1.00 55.01 C ATOM 1678 O GLU A 98 6.424 13.848 4.236 1.00 72.12 O ATOM 1679 CB GLU A 98 8.598 11.425 5.055 1.00 22.53 C ATOM 1680 CG GLU A 98 8.798 9.984 5.561 1.00 25.32 C ATOM 1681 CD GLU A 98 9.979 9.837 6.535 1.00 63.21 C ATOM 1682 OE1 GLU A 98 11.121 10.186 6.154 1.00 23.01 O ATOM 1683 OE2 GLU A 98 9.780 9.384 7.687 1.00 20.44 O ATOM 0 H GLU A 98 8.445 10.311 2.790 1.00 65.35 H new ATOM 0 HA GLU A 98 6.485 11.299 4.545 1.00 52.33 H new ATOM 0 HB2 GLU A 98 9.515 11.747 4.561 1.00 22.53 H new ATOM 0 HB3 GLU A 98 8.455 12.076 5.917 1.00 22.53 H new ATOM 0 HG2 GLU A 98 7.885 9.650 6.055 1.00 25.32 H new ATOM 0 HG3 GLU A 98 8.957 9.326 4.707 1.00 25.32 H new ATOM 1690 N SER A 99 8.230 13.604 2.882 1.00 33.03 N ATOM 1691 CA SER A 99 8.318 15.015 2.459 1.00 34.41 C ATOM 1692 C SER A 99 7.160 15.385 1.501 1.00 60.41 C ATOM 1693 O SER A 99 6.871 16.568 1.294 1.00 63.33 O ATOM 1694 CB SER A 99 9.693 15.270 1.801 1.00 71.31 C ATOM 1695 OG SER A 99 9.878 16.641 1.490 1.00 44.24 O ATOM 0 H SER A 99 8.939 13.007 2.457 1.00 33.03 H new ATOM 0 HA SER A 99 8.223 15.654 3.337 1.00 34.41 H new ATOM 0 HB2 SER A 99 10.485 14.939 2.473 1.00 71.31 H new ATOM 0 HB3 SER A 99 9.777 14.676 0.891 1.00 71.31 H new ATOM 0 HG SER A 99 10.758 16.767 1.077 1.00 44.24 H new ATOM 1701 N GLN A 100 6.517 14.355 0.919 1.00 41.32 N ATOM 1702 CA GLN A 100 5.322 14.497 0.054 1.00 31.04 C ATOM 1703 C GLN A 100 4.012 14.422 0.878 1.00 22.23 C ATOM 1704 O GLN A 100 2.911 14.478 0.312 1.00 31.30 O ATOM 1705 CB GLN A 100 5.363 13.401 -1.036 1.00 21.20 C ATOM 1706 CG GLN A 100 6.557 13.529 -2.010 1.00 4.23 C ATOM 1707 CD GLN A 100 6.796 12.278 -2.847 1.00 63.31 C ATOM 1708 OE1 GLN A 100 5.866 11.532 -3.153 1.00 55.33 O ATOM 1709 NE2 GLN A 100 8.045 12.039 -3.238 1.00 70.43 N ATOM 0 H GLN A 100 6.814 13.386 1.036 1.00 41.32 H new ATOM 0 HA GLN A 100 5.337 15.479 -0.419 1.00 31.04 H new ATOM 0 HB2 GLN A 100 5.404 12.424 -0.554 1.00 21.20 H new ATOM 0 HB3 GLN A 100 4.435 13.436 -1.607 1.00 21.20 H new ATOM 0 HG2 GLN A 100 6.383 14.374 -2.676 1.00 4.23 H new ATOM 0 HG3 GLN A 100 7.459 13.753 -1.440 1.00 4.23 H new ATOM 0 HE21 GLN A 100 8.795 12.676 -2.968 1.00 70.43 H new ATOM 0 HE22 GLN A 100 8.253 11.219 -3.808 1.00 70.43 H new ATOM 1718 N GLY A 101 4.147 14.279 2.214 1.00 65.00 N ATOM 1719 CA GLY A 101 3.016 14.368 3.144 1.00 4.32 C ATOM 1720 C GLY A 101 2.094 13.154 3.123 1.00 22.12 C ATOM 1721 O GLY A 101 0.881 13.286 3.339 1.00 63.25 O ATOM 0 H GLY A 101 5.042 14.100 2.670 1.00 65.00 H new ATOM 0 HA2 GLY A 101 3.401 14.501 4.155 1.00 4.32 H new ATOM 0 HA3 GLY A 101 2.433 15.258 2.906 1.00 4.32 H new ATOM 1725 N TYR A 102 2.659 11.969 2.843 1.00 34.11 N ATOM 1726 CA TYR A 102 1.923 10.691 2.906 1.00 71.10 C ATOM 1727 C TYR A 102 2.459 9.872 4.086 1.00 53.23 C ATOM 1728 O TYR A 102 3.679 9.871 4.329 1.00 31.15 O ATOM 1729 CB TYR A 102 2.067 9.905 1.579 1.00 23.51 C ATOM 1730 CG TYR A 102 1.666 10.696 0.320 1.00 65.54 C ATOM 1731 CD1 TYR A 102 0.375 11.204 0.176 1.00 31.35 C ATOM 1732 CD2 TYR A 102 2.575 10.943 -0.717 1.00 13.14 C ATOM 1733 CE1 TYR A 102 0.002 11.912 -0.950 1.00 75.22 C ATOM 1734 CE2 TYR A 102 2.202 11.655 -1.846 1.00 4.11 C ATOM 1735 CZ TYR A 102 0.917 12.141 -1.955 1.00 30.40 C ATOM 1736 OH TYR A 102 0.541 12.856 -3.074 1.00 73.55 O ATOM 0 H TYR A 102 3.636 11.867 2.567 1.00 34.11 H new ATOM 0 HA TYR A 102 0.861 10.889 3.052 1.00 71.10 H new ATOM 0 HB2 TYR A 102 3.102 9.581 1.474 1.00 23.51 H new ATOM 0 HB3 TYR A 102 1.455 9.005 1.637 1.00 23.51 H new ATOM 0 HD1 TYR A 102 -0.348 11.040 0.961 1.00 31.35 H new ATOM 0 HD2 TYR A 102 3.586 10.571 -0.635 1.00 13.14 H new ATOM 0 HE1 TYR A 102 -1.007 12.286 -1.043 1.00 75.22 H new ATOM 0 HE2 TYR A 102 2.916 11.828 -2.638 1.00 4.11 H new ATOM 0 HH TYR A 102 1.196 13.565 -3.245 1.00 73.55 H new ATOM 1746 N GLU A 103 1.549 9.201 4.829 1.00 3.50 N ATOM 1747 CA GLU A 103 1.908 8.414 6.024 1.00 11.40 C ATOM 1748 C GLU A 103 2.616 7.109 5.601 1.00 14.23 C ATOM 1749 O GLU A 103 1.975 6.079 5.380 1.00 23.14 O ATOM 1750 CB GLU A 103 0.632 8.118 6.874 1.00 71.55 C ATOM 1751 CG GLU A 103 0.885 7.459 8.251 1.00 11.42 C ATOM 1752 CD GLU A 103 1.561 8.401 9.266 1.00 43.30 C ATOM 1753 OE1 GLU A 103 2.806 8.536 9.238 1.00 40.31 O ATOM 1754 OE2 GLU A 103 0.841 9.024 10.082 1.00 3.13 O ATOM 0 H GLU A 103 0.552 9.192 4.616 1.00 3.50 H new ATOM 0 HA GLU A 103 2.598 8.989 6.642 1.00 11.40 H new ATOM 0 HB2 GLU A 103 0.097 9.054 7.032 1.00 71.55 H new ATOM 0 HB3 GLU A 103 -0.026 7.469 6.296 1.00 71.55 H new ATOM 0 HG2 GLU A 103 -0.065 7.116 8.661 1.00 11.42 H new ATOM 0 HG3 GLU A 103 1.510 6.576 8.114 1.00 11.42 H new ATOM 1761 N VAL A 104 3.945 7.179 5.461 1.00 51.45 N ATOM 1762 CA VAL A 104 4.768 6.079 4.930 1.00 22.24 C ATOM 1763 C VAL A 104 5.619 5.448 6.046 1.00 11.20 C ATOM 1764 O VAL A 104 6.188 6.152 6.884 1.00 32.02 O ATOM 1765 CB VAL A 104 5.670 6.579 3.739 1.00 62.43 C ATOM 1766 CG1 VAL A 104 6.536 7.783 4.137 1.00 62.31 C ATOM 1767 CG2 VAL A 104 6.535 5.440 3.150 1.00 13.33 C ATOM 0 H VAL A 104 4.486 8.006 5.714 1.00 51.45 H new ATOM 0 HA VAL A 104 4.101 5.309 4.542 1.00 22.24 H new ATOM 0 HB VAL A 104 4.990 6.912 2.955 1.00 62.43 H new ATOM 0 HG11 VAL A 104 7.141 8.093 3.285 1.00 62.31 H new ATOM 0 HG12 VAL A 104 5.893 8.608 4.445 1.00 62.31 H new ATOM 0 HG13 VAL A 104 7.189 7.504 4.964 1.00 62.31 H new ATOM 0 HG21 VAL A 104 7.141 5.829 2.332 1.00 13.33 H new ATOM 0 HG22 VAL A 104 7.187 5.040 3.926 1.00 13.33 H new ATOM 0 HG23 VAL A 104 5.887 4.647 2.776 1.00 13.33 H new ATOM 1777 N ARG A 105 5.661 4.110 6.054 1.00 30.13 N ATOM 1778 CA ARG A 105 6.432 3.303 7.010 1.00 42.24 C ATOM 1779 C ARG A 105 7.382 2.387 6.234 1.00 10.34 C ATOM 1780 O ARG A 105 7.038 1.918 5.146 1.00 63.43 O ATOM 1781 CB ARG A 105 5.470 2.452 7.890 1.00 70.20 C ATOM 1782 CG ARG A 105 4.470 3.270 8.735 1.00 21.15 C ATOM 1783 CD ARG A 105 5.162 4.264 9.681 1.00 23.22 C ATOM 1784 NE ARG A 105 6.104 3.586 10.596 1.00 65.23 N ATOM 1785 CZ ARG A 105 7.005 4.200 11.383 1.00 4.10 C ATOM 1786 NH1 ARG A 105 7.128 5.528 11.388 1.00 21.12 N ATOM 1787 NH2 ARG A 105 7.777 3.474 12.185 1.00 2.11 N ATOM 0 H ARG A 105 5.147 3.544 5.379 1.00 30.13 H new ATOM 0 HA ARG A 105 7.007 3.960 7.663 1.00 42.24 H new ATOM 0 HB2 ARG A 105 4.910 1.777 7.243 1.00 70.20 H new ATOM 0 HB3 ARG A 105 6.066 1.831 8.559 1.00 70.20 H new ATOM 0 HG2 ARG A 105 3.800 3.815 8.070 1.00 21.15 H new ATOM 0 HG3 ARG A 105 3.853 2.588 9.320 1.00 21.15 H new ATOM 0 HD2 ARG A 105 5.698 5.010 9.095 1.00 23.22 H new ATOM 0 HD3 ARG A 105 4.409 4.796 10.263 1.00 23.22 H new ATOM 0 HE ARG A 105 6.068 2.567 10.634 1.00 65.23 H new ATOM 0 HH11 ARG A 105 6.532 6.098 10.787 1.00 21.12 H new ATOM 0 HH12 ARG A 105 7.818 5.974 11.993 1.00 21.12 H new ATOM 0 HH21 ARG A 105 7.684 2.458 12.201 1.00 2.11 H new ATOM 0 HH22 ARG A 105 8.463 3.932 12.785 1.00 2.11 H new ATOM 1801 N LYS A 106 8.570 2.126 6.806 1.00 45.03 N ATOM 1802 CA LYS A 106 9.591 1.255 6.195 1.00 33.12 C ATOM 1803 C LYS A 106 9.803 0.001 7.043 1.00 1.43 C ATOM 1804 O LYS A 106 10.020 0.098 8.254 1.00 22.31 O ATOM 1805 CB LYS A 106 10.942 2.009 6.041 1.00 40.32 C ATOM 1806 CG LYS A 106 12.045 1.188 5.330 1.00 5.15 C ATOM 1807 CD LYS A 106 13.334 1.995 5.081 1.00 64.11 C ATOM 1808 CE LYS A 106 14.184 2.215 6.336 1.00 60.34 C ATOM 1809 NZ LYS A 106 14.654 0.935 6.928 1.00 33.44 N ATOM 0 H LYS A 106 8.851 2.513 7.707 1.00 45.03 H new ATOM 0 HA LYS A 106 9.233 0.965 5.207 1.00 33.12 H new ATOM 0 HB2 LYS A 106 10.771 2.929 5.482 1.00 40.32 H new ATOM 0 HB3 LYS A 106 11.299 2.298 7.029 1.00 40.32 H new ATOM 0 HG2 LYS A 106 12.283 0.312 5.933 1.00 5.15 H new ATOM 0 HG3 LYS A 106 11.661 0.824 4.377 1.00 5.15 H new ATOM 0 HD2 LYS A 106 13.935 1.478 4.333 1.00 64.11 H new ATOM 0 HD3 LYS A 106 13.068 2.965 4.661 1.00 64.11 H new ATOM 0 HE2 LYS A 106 15.045 2.835 6.086 1.00 60.34 H new ATOM 0 HE3 LYS A 106 13.601 2.763 7.076 1.00 60.34 H new ATOM 0 HZ1 LYS A 106 15.567 1.087 7.403 1.00 33.44 H new ATOM 0 HZ2 LYS A 106 13.956 0.596 7.620 1.00 33.44 H new ATOM 0 HZ3 LYS A 106 14.768 0.226 6.176 1.00 33.44 H new ATOM 1823 N VAL A 107 9.757 -1.172 6.398 1.00 4.43 N ATOM 1824 CA VAL A 107 10.073 -2.461 7.029 1.00 74.32 C ATOM 1825 C VAL A 107 10.969 -3.267 6.076 1.00 51.11 C ATOM 1826 O VAL A 107 10.731 -3.318 4.874 1.00 53.01 O ATOM 1827 CB VAL A 107 8.782 -3.278 7.426 1.00 31.05 C ATOM 1828 CG1 VAL A 107 8.008 -2.567 8.553 1.00 21.03 C ATOM 1829 CG2 VAL A 107 7.864 -3.517 6.215 1.00 61.11 C ATOM 0 H VAL A 107 9.497 -1.254 5.415 1.00 4.43 H new ATOM 0 HA VAL A 107 10.600 -2.268 7.964 1.00 74.32 H new ATOM 0 HB VAL A 107 9.114 -4.251 7.789 1.00 31.05 H new ATOM 0 HG11 VAL A 107 7.123 -3.149 8.809 1.00 21.03 H new ATOM 0 HG12 VAL A 107 8.647 -2.474 9.431 1.00 21.03 H new ATOM 0 HG13 VAL A 107 7.706 -1.575 8.217 1.00 21.03 H new ATOM 0 HG21 VAL A 107 6.987 -4.082 6.529 1.00 61.11 H new ATOM 0 HG22 VAL A 107 7.549 -2.559 5.802 1.00 61.11 H new ATOM 0 HG23 VAL A 107 8.405 -4.080 5.454 1.00 61.11 H new ATOM 1839 N THR A 108 12.034 -3.835 6.627 1.00 10.11 N ATOM 1840 CA THR A 108 13.001 -4.654 5.865 1.00 45.23 C ATOM 1841 C THR A 108 12.670 -6.162 6.032 1.00 41.32 C ATOM 1842 O THR A 108 13.302 -7.031 5.429 1.00 13.15 O ATOM 1843 CB THR A 108 14.459 -4.310 6.348 1.00 2.04 C ATOM 1844 OG1 THR A 108 14.599 -2.872 6.445 1.00 62.52 O ATOM 1845 CG2 THR A 108 15.558 -4.859 5.415 1.00 34.54 C ATOM 0 H THR A 108 12.263 -3.748 7.617 1.00 10.11 H new ATOM 0 HA THR A 108 12.933 -4.427 4.801 1.00 45.23 H new ATOM 0 HB THR A 108 14.593 -4.790 7.317 1.00 2.04 H new ATOM 0 HG1 THR A 108 15.513 -2.615 6.200 1.00 62.52 H new ATOM 0 HG21 THR A 108 16.538 -4.586 5.807 1.00 34.54 H new ATOM 0 HG22 THR A 108 15.479 -5.945 5.359 1.00 34.54 H new ATOM 0 HG23 THR A 108 15.435 -4.435 4.419 1.00 34.54 H new ATOM 1853 N ASP A 109 11.608 -6.455 6.816 1.00 64.14 N ATOM 1854 CA ASP A 109 11.256 -7.828 7.232 1.00 62.43 C ATOM 1855 C ASP A 109 9.801 -8.163 6.856 1.00 22.44 C ATOM 1856 O ASP A 109 8.931 -7.276 6.805 1.00 32.25 O ATOM 1857 CB ASP A 109 11.447 -8.007 8.762 1.00 12.00 C ATOM 1858 CG ASP A 109 12.827 -7.557 9.270 1.00 54.12 C ATOM 1859 OD1 ASP A 109 12.976 -6.370 9.618 1.00 53.21 O ATOM 1860 OD2 ASP A 109 13.766 -8.376 9.319 1.00 34.25 O ATOM 0 H ASP A 109 10.972 -5.744 7.177 1.00 64.14 H new ATOM 0 HA ASP A 109 11.924 -8.510 6.706 1.00 62.43 H new ATOM 0 HB2 ASP A 109 10.675 -7.441 9.284 1.00 12.00 H new ATOM 0 HB3 ASP A 109 11.300 -9.057 9.017 1.00 12.00 H new ATOM 1865 N ASP A 110 9.584 -9.465 6.610 1.00 32.52 N ATOM 1866 CA ASP A 110 8.266 -10.080 6.359 1.00 4.43 C ATOM 1867 C ASP A 110 7.294 -9.834 7.539 1.00 41.51 C ATOM 1868 O ASP A 110 6.194 -9.300 7.352 1.00 23.12 O ATOM 1869 CB ASP A 110 8.495 -11.611 6.122 1.00 32.32 C ATOM 1870 CG ASP A 110 7.218 -12.479 6.035 1.00 50.25 C ATOM 1871 OD1 ASP A 110 6.625 -12.794 7.092 1.00 20.42 O ATOM 1872 OD2 ASP A 110 6.833 -12.907 4.922 1.00 50.12 O ATOM 0 H ASP A 110 10.345 -10.143 6.579 1.00 32.52 H new ATOM 0 HA ASP A 110 7.804 -9.628 5.481 1.00 4.43 H new ATOM 0 HB2 ASP A 110 9.059 -11.736 5.198 1.00 32.32 H new ATOM 0 HB3 ASP A 110 9.118 -11.995 6.930 1.00 32.32 H new ATOM 1877 N GLU A 111 7.731 -10.233 8.755 1.00 11.14 N ATOM 1878 CA GLU A 111 6.904 -10.188 9.983 1.00 71.25 C ATOM 1879 C GLU A 111 6.537 -8.742 10.373 1.00 31.53 C ATOM 1880 O GLU A 111 5.400 -8.476 10.777 1.00 25.35 O ATOM 1881 CB GLU A 111 7.628 -10.916 11.154 1.00 0.24 C ATOM 1882 CG GLU A 111 9.008 -10.331 11.539 1.00 13.02 C ATOM 1883 CD GLU A 111 9.677 -11.080 12.701 1.00 63.40 C ATOM 1884 OE1 GLU A 111 10.303 -12.135 12.461 1.00 52.55 O ATOM 1885 OE2 GLU A 111 9.561 -10.632 13.865 1.00 43.21 O ATOM 0 H GLU A 111 8.671 -10.597 8.913 1.00 11.14 H new ATOM 0 HA GLU A 111 5.971 -10.711 9.774 1.00 71.25 H new ATOM 0 HB2 GLU A 111 6.982 -10.890 12.032 1.00 0.24 H new ATOM 0 HB3 GLU A 111 7.758 -11.964 10.885 1.00 0.24 H new ATOM 0 HG2 GLU A 111 9.664 -10.361 10.669 1.00 13.02 H new ATOM 0 HG3 GLU A 111 8.888 -9.282 11.811 1.00 13.02 H new ATOM 1892 N GLU A 112 7.501 -7.814 10.198 1.00 43.30 N ATOM 1893 CA GLU A 112 7.319 -6.383 10.509 1.00 21.24 C ATOM 1894 C GLU A 112 6.257 -5.746 9.579 1.00 31.54 C ATOM 1895 O GLU A 112 5.538 -4.820 9.986 1.00 1.11 O ATOM 1896 CB GLU A 112 8.675 -5.640 10.390 1.00 1.22 C ATOM 1897 CG GLU A 112 9.757 -6.084 11.398 1.00 42.03 C ATOM 1898 CD GLU A 112 9.405 -5.775 12.865 1.00 32.54 C ATOM 1899 OE1 GLU A 112 9.438 -4.585 13.250 1.00 23.33 O ATOM 1900 OE2 GLU A 112 9.087 -6.711 13.635 1.00 31.31 O ATOM 0 H GLU A 112 8.428 -8.038 9.837 1.00 43.30 H new ATOM 0 HA GLU A 112 6.959 -6.291 11.534 1.00 21.24 H new ATOM 0 HB2 GLU A 112 9.061 -5.781 9.381 1.00 1.22 H new ATOM 0 HB3 GLU A 112 8.499 -4.572 10.517 1.00 1.22 H new ATOM 0 HG2 GLU A 112 9.921 -7.156 11.292 1.00 42.03 H new ATOM 0 HG3 GLU A 112 10.697 -5.592 11.148 1.00 42.03 H new ATOM 1907 N ALA A 113 6.168 -6.271 8.336 1.00 2.54 N ATOM 1908 CA ALA A 113 5.145 -5.864 7.356 1.00 41.12 C ATOM 1909 C ALA A 113 3.748 -6.316 7.812 1.00 4.25 C ATOM 1910 O ALA A 113 2.811 -5.512 7.835 1.00 33.23 O ATOM 1911 CB ALA A 113 5.476 -6.431 5.963 1.00 35.31 C ATOM 0 H ALA A 113 6.805 -6.988 7.988 1.00 2.54 H new ATOM 0 HA ALA A 113 5.145 -4.776 7.290 1.00 41.12 H new ATOM 0 HB1 ALA A 113 4.710 -6.120 5.252 1.00 35.31 H new ATOM 0 HB2 ALA A 113 6.446 -6.055 5.638 1.00 35.31 H new ATOM 0 HB3 ALA A 113 5.506 -7.520 6.011 1.00 35.31 H new ATOM 1917 N LEU A 114 3.649 -7.598 8.244 1.00 23.24 N ATOM 1918 CA LEU A 114 2.378 -8.213 8.692 1.00 24.12 C ATOM 1919 C LEU A 114 1.813 -7.471 9.920 1.00 4.22 C ATOM 1920 O LEU A 114 0.593 -7.355 10.074 1.00 55.42 O ATOM 1921 CB LEU A 114 2.591 -9.715 9.038 1.00 13.34 C ATOM 1922 CG LEU A 114 3.088 -10.638 7.878 1.00 43.34 C ATOM 1923 CD1 LEU A 114 3.380 -12.067 8.392 1.00 50.02 C ATOM 1924 CD2 LEU A 114 2.080 -10.652 6.703 1.00 53.14 C ATOM 0 H LEU A 114 4.447 -8.232 8.291 1.00 23.24 H new ATOM 0 HA LEU A 114 1.661 -8.134 7.875 1.00 24.12 H new ATOM 0 HB2 LEU A 114 3.310 -9.778 9.855 1.00 13.34 H new ATOM 0 HB3 LEU A 114 1.649 -10.115 9.412 1.00 13.34 H new ATOM 0 HG LEU A 114 4.024 -10.227 7.500 1.00 43.34 H new ATOM 0 HD11 LEU A 114 3.724 -12.688 7.565 1.00 50.02 H new ATOM 0 HD12 LEU A 114 4.152 -12.027 9.161 1.00 50.02 H new ATOM 0 HD13 LEU A 114 2.470 -12.495 8.813 1.00 50.02 H new ATOM 0 HD21 LEU A 114 2.453 -11.302 5.912 1.00 53.14 H new ATOM 0 HD22 LEU A 114 1.117 -11.023 7.054 1.00 53.14 H new ATOM 0 HD23 LEU A 114 1.959 -9.641 6.315 1.00 53.14 H new ATOM 1936 N LYS A 115 2.731 -6.958 10.775 1.00 51.33 N ATOM 1937 CA LYS A 115 2.372 -6.189 11.980 1.00 60.34 C ATOM 1938 C LYS A 115 1.626 -4.895 11.610 1.00 53.42 C ATOM 1939 O LYS A 115 0.491 -4.706 12.023 1.00 20.04 O ATOM 1940 CB LYS A 115 3.631 -5.856 12.834 1.00 72.44 C ATOM 1941 CG LYS A 115 4.312 -7.083 13.478 1.00 24.11 C ATOM 1942 CD LYS A 115 3.415 -7.808 14.510 1.00 1.12 C ATOM 1943 CE LYS A 115 4.124 -9.008 15.159 1.00 23.52 C ATOM 1944 NZ LYS A 115 3.232 -9.726 16.103 1.00 73.12 N ATOM 0 H LYS A 115 3.737 -7.068 10.645 1.00 51.33 H new ATOM 0 HA LYS A 115 1.707 -6.813 12.577 1.00 60.34 H new ATOM 0 HB2 LYS A 115 4.357 -5.343 12.203 1.00 72.44 H new ATOM 0 HB3 LYS A 115 3.346 -5.159 13.622 1.00 72.44 H new ATOM 0 HG2 LYS A 115 4.594 -7.786 12.695 1.00 24.11 H new ATOM 0 HG3 LYS A 115 5.232 -6.764 13.967 1.00 24.11 H new ATOM 0 HD2 LYS A 115 3.115 -7.103 15.286 1.00 1.12 H new ATOM 0 HD3 LYS A 115 2.503 -8.149 14.019 1.00 1.12 H new ATOM 0 HE2 LYS A 115 4.461 -9.695 14.383 1.00 23.52 H new ATOM 0 HE3 LYS A 115 5.013 -8.663 15.688 1.00 23.52 H new ATOM 0 HZ1 LYS A 115 3.744 -10.529 16.522 1.00 73.12 H new ATOM 0 HZ2 LYS A 115 2.930 -9.077 16.857 1.00 73.12 H new ATOM 0 HZ3 LYS A 115 2.396 -10.076 15.593 1.00 73.12 H new ATOM 1958 N ILE A 116 2.265 -4.040 10.784 1.00 34.10 N ATOM 1959 CA ILE A 116 1.730 -2.701 10.434 1.00 53.21 C ATOM 1960 C ILE A 116 0.409 -2.801 9.629 1.00 1.21 C ATOM 1961 O ILE A 116 -0.431 -1.912 9.721 1.00 51.21 O ATOM 1962 CB ILE A 116 2.811 -1.841 9.671 1.00 13.30 C ATOM 1963 CG1 ILE A 116 4.069 -1.652 10.578 1.00 62.01 C ATOM 1964 CG2 ILE A 116 2.256 -0.469 9.196 1.00 23.25 C ATOM 1965 CD1 ILE A 116 5.175 -0.807 9.981 1.00 54.12 C ATOM 0 H ILE A 116 3.159 -4.253 10.342 1.00 34.10 H new ATOM 0 HA ILE A 116 1.495 -2.188 11.366 1.00 53.21 H new ATOM 0 HB ILE A 116 3.092 -2.386 8.770 1.00 13.30 H new ATOM 0 HG12 ILE A 116 3.754 -1.198 11.518 1.00 62.01 H new ATOM 0 HG13 ILE A 116 4.474 -2.635 10.819 1.00 62.01 H new ATOM 0 HG21 ILE A 116 3.041 0.081 8.677 1.00 23.25 H new ATOM 0 HG22 ILE A 116 1.418 -0.631 8.518 1.00 23.25 H new ATOM 0 HG23 ILE A 116 1.919 0.106 10.059 1.00 23.25 H new ATOM 0 HD11 ILE A 116 6.001 -0.737 10.688 1.00 54.12 H new ATOM 0 HD12 ILE A 116 5.526 -1.267 9.057 1.00 54.12 H new ATOM 0 HD13 ILE A 116 4.795 0.192 9.767 1.00 54.12 H new ATOM 1977 N VAL A 117 0.239 -3.902 8.869 1.00 13.03 N ATOM 1978 CA VAL A 117 -1.033 -4.234 8.186 1.00 53.24 C ATOM 1979 C VAL A 117 -2.198 -4.367 9.211 1.00 63.14 C ATOM 1980 O VAL A 117 -3.256 -3.755 9.048 1.00 43.24 O ATOM 1981 CB VAL A 117 -0.877 -5.562 7.334 1.00 61.13 C ATOM 1982 CG1 VAL A 117 -2.235 -6.106 6.832 1.00 45.43 C ATOM 1983 CG2 VAL A 117 0.092 -5.337 6.144 1.00 0.43 C ATOM 0 H VAL A 117 0.978 -4.587 8.710 1.00 13.03 H new ATOM 0 HA VAL A 117 -1.277 -3.418 7.506 1.00 53.24 H new ATOM 0 HB VAL A 117 -0.456 -6.317 7.998 1.00 61.13 H new ATOM 0 HG11 VAL A 117 -2.071 -7.016 6.254 1.00 45.43 H new ATOM 0 HG12 VAL A 117 -2.876 -6.328 7.685 1.00 45.43 H new ATOM 0 HG13 VAL A 117 -2.716 -5.358 6.202 1.00 45.43 H new ATOM 0 HG21 VAL A 117 0.186 -6.260 5.572 1.00 0.43 H new ATOM 0 HG22 VAL A 117 -0.299 -4.549 5.500 1.00 0.43 H new ATOM 0 HG23 VAL A 117 1.071 -5.044 6.523 1.00 0.43 H new ATOM 1993 N ARG A 118 -1.954 -5.139 10.287 1.00 45.40 N ATOM 1994 CA ARG A 118 -2.970 -5.456 11.320 1.00 22.25 C ATOM 1995 C ARG A 118 -3.199 -4.263 12.267 1.00 12.15 C ATOM 1996 O ARG A 118 -4.342 -3.931 12.595 1.00 35.01 O ATOM 1997 CB ARG A 118 -2.520 -6.719 12.105 1.00 62.22 C ATOM 1998 CG ARG A 118 -2.404 -7.985 11.223 1.00 43.13 C ATOM 1999 CD ARG A 118 -1.639 -9.136 11.902 1.00 10.44 C ATOM 2000 NE ARG A 118 -2.301 -9.639 13.130 1.00 0.12 N ATOM 2001 CZ ARG A 118 -2.491 -10.941 13.433 1.00 25.34 C ATOM 2002 NH1 ARG A 118 -2.092 -11.908 12.607 1.00 41.02 N ATOM 2003 NH2 ARG A 118 -3.056 -11.269 14.583 1.00 73.31 N ATOM 0 H ARG A 118 -1.045 -5.564 10.469 1.00 45.40 H new ATOM 0 HA ARG A 118 -3.923 -5.658 10.831 1.00 22.25 H new ATOM 0 HB2 ARG A 118 -1.555 -6.522 12.573 1.00 62.22 H new ATOM 0 HB3 ARG A 118 -3.231 -6.910 12.909 1.00 62.22 H new ATOM 0 HG2 ARG A 118 -3.405 -8.329 10.961 1.00 43.13 H new ATOM 0 HG3 ARG A 118 -1.902 -7.725 10.291 1.00 43.13 H new ATOM 0 HD2 ARG A 118 -1.530 -9.958 11.194 1.00 10.44 H new ATOM 0 HD3 ARG A 118 -0.634 -8.796 12.153 1.00 10.44 H new ATOM 0 HE ARG A 118 -2.639 -8.947 13.798 1.00 0.12 H new ATOM 0 HH11 ARG A 118 -1.634 -11.670 11.727 1.00 41.02 H new ATOM 0 HH12 ARG A 118 -2.245 -12.886 12.855 1.00 41.02 H new ATOM 0 HH21 ARG A 118 -3.345 -10.540 15.235 1.00 73.31 H new ATOM 0 HH22 ARG A 118 -3.202 -12.251 14.818 1.00 73.31 H new ATOM 2017 N GLU A 119 -2.100 -3.635 12.711 1.00 2.34 N ATOM 2018 CA GLU A 119 -2.130 -2.417 13.545 1.00 64.21 C ATOM 2019 C GLU A 119 -2.741 -1.218 12.796 1.00 44.53 C ATOM 2020 O GLU A 119 -3.280 -0.323 13.438 1.00 23.05 O ATOM 2021 CB GLU A 119 -0.704 -2.072 14.090 1.00 55.11 C ATOM 2022 CG GLU A 119 -0.288 -2.844 15.372 1.00 43.25 C ATOM 2023 CD GLU A 119 -0.172 -4.376 15.203 1.00 15.15 C ATOM 2024 OE1 GLU A 119 -1.199 -5.087 15.300 1.00 33.33 O ATOM 2025 OE2 GLU A 119 0.953 -4.885 15.001 1.00 73.12 O ATOM 0 H GLU A 119 -1.156 -3.959 12.501 1.00 2.34 H new ATOM 0 HA GLU A 119 -2.777 -2.628 14.396 1.00 64.21 H new ATOM 0 HB2 GLU A 119 0.027 -2.276 13.308 1.00 55.11 H new ATOM 0 HB3 GLU A 119 -0.659 -1.003 14.297 1.00 55.11 H new ATOM 0 HG2 GLU A 119 0.672 -2.458 15.715 1.00 43.25 H new ATOM 0 HG3 GLU A 119 -1.015 -2.634 16.156 1.00 43.25 H new ATOM 2032 N PHE A 120 -2.661 -1.210 11.447 1.00 3.13 N ATOM 2033 CA PHE A 120 -3.334 -0.191 10.606 1.00 4.34 C ATOM 2034 C PHE A 120 -4.842 -0.196 10.868 1.00 21.12 C ATOM 2035 O PHE A 120 -5.456 0.855 10.979 1.00 1.53 O ATOM 2036 CB PHE A 120 -3.071 -0.453 9.094 1.00 34.13 C ATOM 2037 CG PHE A 120 -3.872 0.431 8.128 1.00 55.42 C ATOM 2038 CD1 PHE A 120 -3.443 1.721 7.811 1.00 33.55 C ATOM 2039 CD2 PHE A 120 -5.066 -0.030 7.549 1.00 21.02 C ATOM 2040 CE1 PHE A 120 -4.174 2.514 6.948 1.00 74.22 C ATOM 2041 CE2 PHE A 120 -5.794 0.767 6.693 1.00 72.32 C ATOM 2042 CZ PHE A 120 -5.347 2.035 6.393 1.00 25.21 C ATOM 0 H PHE A 120 -2.134 -1.901 10.913 1.00 3.13 H new ATOM 0 HA PHE A 120 -2.923 0.783 10.870 1.00 4.34 H new ATOM 0 HB2 PHE A 120 -2.009 -0.310 8.896 1.00 34.13 H new ATOM 0 HB3 PHE A 120 -3.297 -1.497 8.878 1.00 34.13 H new ATOM 0 HD1 PHE A 120 -2.531 2.103 8.245 1.00 33.55 H new ATOM 0 HD2 PHE A 120 -5.419 -1.025 7.778 1.00 21.02 H new ATOM 0 HE1 PHE A 120 -3.829 3.509 6.706 1.00 74.22 H new ATOM 0 HE2 PHE A 120 -6.712 0.399 6.259 1.00 72.32 H new ATOM 0 HZ PHE A 120 -5.916 2.659 5.720 1.00 25.21 H new ATOM 2052 N MET A 121 -5.402 -1.406 10.981 1.00 33.33 N ATOM 2053 CA MET A 121 -6.858 -1.619 11.077 1.00 42.13 C ATOM 2054 C MET A 121 -7.485 -0.906 12.306 1.00 70.32 C ATOM 2055 O MET A 121 -8.684 -0.618 12.306 1.00 22.52 O ATOM 2056 CB MET A 121 -7.186 -3.134 11.073 1.00 71.23 C ATOM 2057 CG MET A 121 -6.474 -3.928 9.959 1.00 52.43 C ATOM 2058 SD MET A 121 -6.627 -3.173 8.325 1.00 23.22 S ATOM 2059 CE MET A 121 -5.880 -4.404 7.250 1.00 73.01 C ATOM 0 H MET A 121 -4.860 -2.270 11.009 1.00 33.33 H new ATOM 0 HA MET A 121 -7.311 -1.164 10.196 1.00 42.13 H new ATOM 0 HB2 MET A 121 -6.911 -3.557 12.039 1.00 71.23 H new ATOM 0 HB3 MET A 121 -8.263 -3.262 10.964 1.00 71.23 H new ATOM 0 HG2 MET A 121 -5.417 -4.022 10.209 1.00 52.43 H new ATOM 0 HG3 MET A 121 -6.884 -4.937 9.924 1.00 52.43 H new ATOM 0 HE1 MET A 121 -5.400 -3.907 6.406 1.00 73.01 H new ATOM 0 HE2 MET A 121 -5.135 -4.971 7.809 1.00 73.01 H new ATOM 0 HE3 MET A 121 -6.651 -5.081 6.882 1.00 73.01 H new ATOM 2069 N GLN A 122 -6.663 -0.628 13.346 1.00 72.25 N ATOM 2070 CA GLN A 122 -7.080 0.173 14.525 1.00 10.00 C ATOM 2071 C GLN A 122 -6.567 1.643 14.416 1.00 12.10 C ATOM 2072 O GLN A 122 -7.264 2.584 14.807 1.00 4.43 O ATOM 2073 CB GLN A 122 -6.589 -0.504 15.843 1.00 41.51 C ATOM 2074 CG GLN A 122 -5.066 -0.511 16.054 1.00 55.04 C ATOM 2075 CD GLN A 122 -4.612 -1.272 17.301 1.00 1.42 C ATOM 2076 OE1 GLN A 122 -4.306 -2.459 17.244 1.00 14.33 O ATOM 2077 NE2 GLN A 122 -4.598 -0.602 18.443 1.00 1.42 N ATOM 0 H GLN A 122 -5.696 -0.950 13.393 1.00 72.25 H new ATOM 0 HA GLN A 122 -8.169 0.210 14.548 1.00 10.00 H new ATOM 0 HB2 GLN A 122 -7.053 0.005 16.688 1.00 41.51 H new ATOM 0 HB3 GLN A 122 -6.945 -1.534 15.857 1.00 41.51 H new ATOM 0 HG2 GLN A 122 -4.591 -0.953 15.178 1.00 55.04 H new ATOM 0 HG3 GLN A 122 -4.715 0.519 16.122 1.00 55.04 H new ATOM 0 HE21 GLN A 122 -4.858 0.384 18.459 1.00 1.42 H new ATOM 0 HE22 GLN A 122 -4.328 -1.072 19.307 1.00 1.42 H new