USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 872 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 79 TYR OH : rot 22:sc= 1.24 USER MOD Set 1.2: A 101 SER OG : rot -120:sc= 1.01 USER MOD Set 1.3: A 103 LYS NZ :NH3+ -142:sc= 1.11 (180deg=0.00205) USER MOD Set 2.1: A 78 GLN : amide:sc= 0.827 K(o=0.52,f=-2.3!) USER MOD Set 2.2: A 95 SER OG : rot 18:sc= 0.00172 USER MOD Set 2.3: A 100 ASN : amide:sc= -0.312! C(o=0.52!,f=-2.2!) USER MOD Set 3.1: A 67 LYS NZ :NH3+ 155:sc= 1.1 (180deg=0) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= -0.308 USER MOD Set 3.3: A 75 CYS SG : rot -98:sc= 0.774 USER MOD Set 4.1: A 45 SER OG : rot -170:sc= 0 USER MOD Set 4.2: A 49 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.15) USER MOD Set 5.1: A 29 THR OG1 : rot -147:sc= 1.06 USER MOD Set 5.2: A 43 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.685 (180deg=-0.337) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 1.19 (180deg=1.03) USER MOD Single : A 24 GLN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 30 CYS SG : rot 30:sc= -0.141 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.196 F(o=-0.76,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 8:sc= 0.545 USER MOD Single : A 42 TYR OH : rot -66:sc= 0.382 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00818 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 60 SER OG : rot -123:sc= 0.0614 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -147:sc= 0.0283 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-1.6) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -0.0934 K(o=-0.093,f=-1.9!) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= -0.465 (180deg=-0.649) USER MOD Single : A 85 THR OG1 : rot 170:sc= 0.814 USER MOD Single : A 86 SER OG : rot -39:sc= 0.0091 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -101:sc= -0.935 (180deg=-2.2) USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= -4.8! (180deg=-5.02!) USER MOD Single : A 93 ASN : amide:sc= -1.7 K(o=-1.7,f=-4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -136:sc= 0.695 (180deg=0.0357) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.461 -13.984 -5.327 1.00 3.00 N ATOM 2 CA GLY A 1 19.854 -13.011 -6.346 1.00 0.11 C ATOM 3 C GLY A 1 19.813 -11.617 -5.765 1.00 11.03 C ATOM 4 O GLY A 1 20.812 -11.130 -5.237 1.00 64.55 O ATOM 0 H1 GLY A 1 20.227 -14.675 -5.193 1.00 3.00 H new ATOM 0 H2 GLY A 1 19.277 -13.492 -4.429 1.00 3.00 H new ATOM 0 H3 GLY A 1 18.599 -14.479 -5.633 1.00 3.00 H new ATOM 0 HA2 GLY A 1 20.858 -13.235 -6.708 1.00 0.11 H new ATOM 0 HA3 GLY A 1 19.184 -13.078 -7.203 1.00 0.11 H new ATOM 8 N ASP A 2 18.668 -10.955 -5.867 1.00 13.21 N ATOM 9 CA ASP A 2 18.574 -9.519 -5.671 1.00 64.25 C ATOM 10 C ASP A 2 18.023 -9.275 -4.275 1.00 32.44 C ATOM 11 O ASP A 2 16.810 -9.331 -4.052 1.00 74.43 O ATOM 12 CB ASP A 2 17.719 -8.916 -6.780 1.00 1.30 C ATOM 13 CG ASP A 2 18.392 -9.041 -8.141 1.00 24.30 C ATOM 14 OD1 ASP A 2 18.489 -10.177 -8.654 1.00 64.51 O ATOM 15 OD2 ASP A 2 18.740 -7.986 -8.708 1.00 40.05 O ATOM 0 H ASP A 2 17.778 -11.402 -6.088 1.00 13.21 H new ATOM 0 HA ASP A 2 19.546 -9.029 -5.734 1.00 64.25 H new ATOM 0 HB2 ASP A 2 16.751 -9.416 -6.806 1.00 1.30 H new ATOM 0 HB3 ASP A 2 17.530 -7.865 -6.563 1.00 1.30 H new ATOM 20 N GLU A 3 18.933 -9.126 -3.312 1.00 14.10 N ATOM 21 CA GLU A 3 18.639 -9.152 -1.888 1.00 43.01 C ATOM 22 C GLU A 3 19.827 -8.585 -1.101 1.00 21.50 C ATOM 23 O GLU A 3 20.768 -9.297 -0.745 1.00 2.34 O ATOM 24 CB GLU A 3 18.227 -10.569 -1.450 1.00 20.54 C ATOM 25 CG GLU A 3 19.103 -11.744 -1.946 1.00 53.22 C ATOM 26 CD GLU A 3 18.372 -13.084 -1.890 1.00 20.13 C ATOM 27 OE1 GLU A 3 17.343 -13.188 -1.190 1.00 2.02 O ATOM 28 OE2 GLU A 3 18.738 -14.010 -2.657 1.00 72.33 O ATOM 0 H GLU A 3 19.922 -8.980 -3.512 1.00 14.10 H new ATOM 0 HA GLU A 3 17.785 -8.510 -1.670 1.00 43.01 H new ATOM 0 HB2 GLU A 3 18.212 -10.595 -0.360 1.00 20.54 H new ATOM 0 HB3 GLU A 3 17.205 -10.743 -1.787 1.00 20.54 H new ATOM 0 HG2 GLU A 3 19.420 -11.549 -2.971 1.00 53.22 H new ATOM 0 HG3 GLU A 3 20.006 -11.801 -1.339 1.00 53.22 H new ATOM 35 N ASP A 4 19.826 -7.269 -0.881 1.00 20.12 N ATOM 36 CA ASP A 4 20.846 -6.569 -0.092 1.00 22.32 C ATOM 37 C ASP A 4 20.246 -5.470 0.789 1.00 72.31 C ATOM 38 O ASP A 4 20.852 -4.438 1.035 1.00 60.44 O ATOM 39 CB ASP A 4 21.982 -6.082 -1.004 1.00 60.51 C ATOM 40 CG ASP A 4 23.161 -5.543 -0.197 1.00 1.41 C ATOM 41 OD1 ASP A 4 23.610 -6.300 0.699 1.00 72.31 O ATOM 42 OD2 ASP A 4 23.604 -4.402 -0.485 1.00 13.44 O ATOM 0 H ASP A 4 19.106 -6.648 -1.251 1.00 20.12 H new ATOM 0 HA ASP A 4 21.286 -7.275 0.612 1.00 22.32 H new ATOM 0 HB2 ASP A 4 22.319 -6.903 -1.636 1.00 60.51 H new ATOM 0 HB3 ASP A 4 21.608 -5.302 -1.667 1.00 60.51 H new ATOM 47 N ASP A 5 19.016 -5.692 1.257 1.00 3.02 N ATOM 48 CA ASP A 5 18.291 -4.844 2.203 1.00 35.10 C ATOM 49 C ASP A 5 18.379 -3.357 1.839 1.00 72.21 C ATOM 50 O ASP A 5 18.694 -2.500 2.664 1.00 2.22 O ATOM 51 CB ASP A 5 18.629 -5.202 3.671 1.00 1.32 C ATOM 52 CG ASP A 5 17.950 -6.499 4.150 1.00 12.03 C ATOM 53 OD1 ASP A 5 17.318 -7.175 3.303 1.00 32.22 O ATOM 54 OD2 ASP A 5 18.017 -6.796 5.366 1.00 32.24 O ATOM 0 H ASP A 5 18.473 -6.507 0.972 1.00 3.02 H new ATOM 0 HA ASP A 5 17.227 -5.063 2.115 1.00 35.10 H new ATOM 0 HB2 ASP A 5 19.709 -5.306 3.774 1.00 1.32 H new ATOM 0 HB3 ASP A 5 18.325 -4.380 4.318 1.00 1.32 H new ATOM 59 N LYS A 6 17.960 -3.030 0.606 1.00 15.04 N ATOM 60 CA LYS A 6 17.843 -1.652 0.117 1.00 42.33 C ATOM 61 C LYS A 6 16.449 -1.426 -0.419 1.00 73.33 C ATOM 62 O LYS A 6 15.847 -2.356 -0.958 1.00 44.24 O ATOM 63 CB LYS A 6 18.862 -1.337 -0.985 1.00 2.24 C ATOM 64 CG LYS A 6 20.276 -1.797 -0.619 1.00 55.13 C ATOM 65 CD LYS A 6 21.354 -1.179 -1.505 1.00 34.42 C ATOM 66 CE LYS A 6 21.450 0.334 -1.321 1.00 54.02 C ATOM 67 NZ LYS A 6 22.816 0.821 -1.577 1.00 53.34 N ATOM 0 H LYS A 6 17.690 -3.728 -0.087 1.00 15.04 H new ATOM 0 HA LYS A 6 18.046 -0.988 0.957 1.00 42.33 H new ATOM 0 HB2 LYS A 6 18.553 -1.822 -1.911 1.00 2.24 H new ATOM 0 HB3 LYS A 6 18.869 -0.264 -1.174 1.00 2.24 H new ATOM 0 HG2 LYS A 6 20.477 -1.540 0.421 1.00 55.13 H new ATOM 0 HG3 LYS A 6 20.330 -2.883 -0.695 1.00 55.13 H new ATOM 0 HD2 LYS A 6 22.317 -1.634 -1.274 1.00 34.42 H new ATOM 0 HD3 LYS A 6 21.137 -1.404 -2.549 1.00 34.42 H new ATOM 0 HE2 LYS A 6 20.753 0.829 -1.997 1.00 54.02 H new ATOM 0 HE3 LYS A 6 21.152 0.598 -0.306 1.00 54.02 H new ATOM 0 HZ1 LYS A 6 22.848 1.852 -1.444 1.00 53.34 H new ATOM 0 HZ2 LYS A 6 23.477 0.366 -0.915 1.00 53.34 H new ATOM 0 HZ3 LYS A 6 23.090 0.590 -2.553 1.00 53.34 H new ATOM 81 N VAL A 7 15.901 -0.232 -0.239 1.00 63.13 N ATOM 82 CA VAL A 7 14.621 0.111 -0.831 1.00 71.31 C ATOM 83 C VAL A 7 14.803 0.177 -2.355 1.00 33.20 C ATOM 84 O VAL A 7 15.807 0.720 -2.830 1.00 34.50 O ATOM 85 CB VAL A 7 14.127 1.420 -0.179 1.00 13.42 C ATOM 86 CG1 VAL A 7 14.780 2.695 -0.720 1.00 53.05 C ATOM 87 CG2 VAL A 7 12.614 1.543 -0.267 1.00 42.44 C ATOM 0 H VAL A 7 16.325 0.514 0.313 1.00 63.13 H new ATOM 0 HA VAL A 7 13.847 -0.634 -0.647 1.00 71.31 H new ATOM 0 HB VAL A 7 14.438 1.338 0.863 1.00 13.42 H new ATOM 0 HG11 VAL A 7 14.370 3.562 -0.202 1.00 53.05 H new ATOM 0 HG12 VAL A 7 15.857 2.650 -0.556 1.00 53.05 H new ATOM 0 HG13 VAL A 7 14.579 2.782 -1.788 1.00 53.05 H new ATOM 0 HG21 VAL A 7 12.297 2.475 0.201 1.00 42.44 H new ATOM 0 HG22 VAL A 7 12.309 1.540 -1.313 1.00 42.44 H new ATOM 0 HG23 VAL A 7 12.150 0.702 0.249 1.00 42.44 H new ATOM 97 N GLU A 8 13.843 -0.345 -3.117 1.00 60.41 N ATOM 98 CA GLU A 8 13.724 -0.056 -4.547 1.00 71.11 C ATOM 99 C GLU A 8 12.523 0.850 -4.822 1.00 74.33 C ATOM 100 O GLU A 8 11.534 0.812 -4.085 1.00 51.45 O ATOM 101 CB GLU A 8 13.565 -1.357 -5.344 1.00 41.25 C ATOM 102 CG GLU A 8 14.901 -1.985 -5.750 1.00 54.32 C ATOM 103 CD GLU A 8 14.746 -2.765 -7.057 1.00 71.52 C ATOM 104 OE1 GLU A 8 14.583 -2.115 -8.113 1.00 35.31 O ATOM 105 OE2 GLU A 8 14.777 -4.013 -7.002 1.00 63.35 O ATOM 0 H GLU A 8 13.127 -0.979 -2.762 1.00 60.41 H new ATOM 0 HA GLU A 8 14.635 0.455 -4.860 1.00 71.11 H new ATOM 0 HB2 GLU A 8 13.001 -2.074 -4.747 1.00 41.25 H new ATOM 0 HB3 GLU A 8 12.978 -1.156 -6.240 1.00 41.25 H new ATOM 0 HG2 GLU A 8 15.655 -1.207 -5.870 1.00 54.32 H new ATOM 0 HG3 GLU A 8 15.253 -2.650 -4.961 1.00 54.32 H new ATOM 112 N ILE A 9 12.593 1.610 -5.920 1.00 64.34 N ATOM 113 CA ILE A 9 11.467 2.334 -6.501 1.00 74.45 C ATOM 114 C ILE A 9 10.553 1.366 -7.276 1.00 33.54 C ATOM 115 O ILE A 9 9.406 1.209 -6.850 1.00 74.33 O ATOM 116 CB ILE A 9 11.931 3.541 -7.363 1.00 24.23 C ATOM 117 CG1 ILE A 9 12.500 4.703 -6.521 1.00 34.43 C ATOM 118 CG2 ILE A 9 10.753 4.120 -8.165 1.00 33.31 C ATOM 119 CD1 ILE A 9 13.932 4.489 -6.024 1.00 73.52 C ATOM 0 H ILE A 9 13.461 1.739 -6.441 1.00 64.34 H new ATOM 0 HA ILE A 9 10.880 2.762 -5.689 1.00 74.45 H new ATOM 0 HB ILE A 9 12.712 3.145 -8.012 1.00 24.23 H new ATOM 0 HG12 ILE A 9 12.469 5.615 -7.117 1.00 34.43 H new ATOM 0 HG13 ILE A 9 11.851 4.862 -5.660 1.00 34.43 H new ATOM 0 HG21 ILE A 9 11.099 4.964 -8.762 1.00 33.31 H new ATOM 0 HG22 ILE A 9 10.349 3.351 -8.824 1.00 33.31 H new ATOM 0 HG23 ILE A 9 9.976 4.455 -7.479 1.00 33.31 H new ATOM 0 HD11 ILE A 9 14.248 5.355 -5.442 1.00 73.52 H new ATOM 0 HD12 ILE A 9 13.970 3.597 -5.398 1.00 73.52 H new ATOM 0 HD13 ILE A 9 14.598 4.362 -6.877 1.00 73.52 H new ATOM 131 N PRO A 10 10.985 0.716 -8.382 1.00 53.43 N ATOM 132 CA PRO A 10 10.086 0.043 -9.337 1.00 2.21 C ATOM 133 C PRO A 10 9.455 -1.237 -8.771 1.00 74.15 C ATOM 134 O PRO A 10 8.581 -1.854 -9.394 1.00 24.12 O ATOM 135 CB PRO A 10 10.957 -0.272 -10.556 1.00 74.45 C ATOM 136 CG PRO A 10 12.317 -0.504 -9.914 1.00 14.24 C ATOM 137 CD PRO A 10 12.361 0.576 -8.844 1.00 52.01 C ATOM 0 HA PRO A 10 9.240 0.686 -9.580 1.00 2.21 H new ATOM 0 HB2 PRO A 10 10.604 -1.151 -11.095 1.00 74.45 H new ATOM 0 HB3 PRO A 10 10.976 0.552 -11.269 1.00 74.45 H new ATOM 0 HG2 PRO A 10 12.399 -1.503 -9.486 1.00 14.24 H new ATOM 0 HG3 PRO A 10 13.129 -0.397 -10.633 1.00 14.24 H new ATOM 0 HD2 PRO A 10 13.024 0.293 -8.026 1.00 52.01 H new ATOM 0 HD3 PRO A 10 12.738 1.515 -9.249 1.00 52.01 H new ATOM 145 N GLN A 11 9.928 -1.656 -7.601 1.00 24.54 N ATOM 146 CA GLN A 11 9.497 -2.806 -6.832 1.00 4.41 C ATOM 147 C GLN A 11 8.151 -2.569 -6.141 1.00 22.54 C ATOM 148 O GLN A 11 7.579 -3.522 -5.601 1.00 23.50 O ATOM 149 CB GLN A 11 10.634 -3.084 -5.843 1.00 24.21 C ATOM 150 CG GLN A 11 10.540 -4.398 -5.068 1.00 55.34 C ATOM 151 CD GLN A 11 11.915 -4.865 -4.605 1.00 63.51 C ATOM 152 OE1 GLN A 11 12.432 -4.424 -3.579 1.00 35.14 O ATOM 153 NE2 GLN A 11 12.514 -5.766 -5.360 1.00 20.30 N ATOM 0 H GLN A 11 10.684 -1.155 -7.133 1.00 24.54 H new ATOM 0 HA GLN A 11 9.316 -3.671 -7.470 1.00 4.41 H new ATOM 0 HB2 GLN A 11 11.576 -3.075 -6.391 1.00 24.21 H new ATOM 0 HB3 GLN A 11 10.674 -2.264 -5.126 1.00 24.21 H new ATOM 0 HG2 GLN A 11 9.888 -4.268 -4.205 1.00 55.34 H new ATOM 0 HG3 GLN A 11 10.086 -5.163 -5.698 1.00 55.34 H new ATOM 0 HE21 GLN A 11 12.056 -6.110 -6.204 1.00 20.30 H new ATOM 0 HE22 GLN A 11 13.435 -6.119 -5.100 1.00 20.30 H new ATOM 162 N LEU A 12 7.637 -1.332 -6.157 1.00 74.34 N ATOM 163 CA LEU A 12 6.344 -0.995 -5.578 1.00 44.34 C ATOM 164 C LEU A 12 5.185 -1.514 -6.425 1.00 75.34 C ATOM 165 O LEU A 12 4.307 -2.155 -5.856 1.00 74.42 O ATOM 166 CB LEU A 12 6.219 0.526 -5.400 1.00 14.00 C ATOM 167 CG LEU A 12 4.869 0.959 -4.793 1.00 61.45 C ATOM 168 CD1 LEU A 12 4.771 0.548 -3.320 1.00 51.04 C ATOM 169 CD2 LEU A 12 4.696 2.469 -4.980 1.00 11.41 C ATOM 0 H LEU A 12 8.116 -0.536 -6.577 1.00 74.34 H new ATOM 0 HA LEU A 12 6.289 -1.482 -4.604 1.00 44.34 H new ATOM 0 HB2 LEU A 12 7.027 0.878 -4.759 1.00 14.00 H new ATOM 0 HB3 LEU A 12 6.346 1.010 -6.368 1.00 14.00 H new ATOM 0 HG LEU A 12 4.056 0.450 -5.311 1.00 61.45 H new ATOM 0 HD11 LEU A 12 3.809 0.866 -2.917 1.00 51.04 H new ATOM 0 HD12 LEU A 12 4.859 -0.535 -3.238 1.00 51.04 H new ATOM 0 HD13 LEU A 12 5.575 1.021 -2.756 1.00 51.04 H new ATOM 0 HD21 LEU A 12 3.743 2.782 -4.553 1.00 11.41 H new ATOM 0 HD22 LEU A 12 5.509 2.993 -4.477 1.00 11.41 H new ATOM 0 HD23 LEU A 12 4.713 2.708 -6.043 1.00 11.41 H new ATOM 181 N VAL A 13 5.177 -1.226 -7.737 1.00 72.51 N ATOM 182 CA VAL A 13 4.048 -1.434 -8.667 1.00 12.34 C ATOM 183 C VAL A 13 3.478 -2.856 -8.630 1.00 55.02 C ATOM 184 O VAL A 13 2.329 -3.064 -9.020 1.00 53.42 O ATOM 185 CB VAL A 13 4.499 -1.080 -10.101 1.00 11.03 C ATOM 186 CG1 VAL A 13 3.427 -1.274 -11.182 1.00 23.43 C ATOM 187 CG2 VAL A 13 5.028 0.357 -10.200 1.00 44.21 C ATOM 0 H VAL A 13 5.991 -0.824 -8.201 1.00 72.51 H new ATOM 0 HA VAL A 13 3.241 -0.776 -8.343 1.00 12.34 H new ATOM 0 HB VAL A 13 5.296 -1.797 -10.298 1.00 11.03 H new ATOM 0 HG11 VAL A 13 3.837 -1.000 -12.154 1.00 23.43 H new ATOM 0 HG12 VAL A 13 3.114 -2.318 -11.201 1.00 23.43 H new ATOM 0 HG13 VAL A 13 2.567 -0.642 -10.959 1.00 23.43 H new ATOM 0 HG21 VAL A 13 5.334 0.562 -11.226 1.00 44.21 H new ATOM 0 HG22 VAL A 13 4.243 1.055 -9.909 1.00 44.21 H new ATOM 0 HG23 VAL A 13 5.884 0.476 -9.536 1.00 44.21 H new ATOM 197 N GLY A 14 4.273 -3.822 -8.169 1.00 11.14 N ATOM 198 CA GLY A 14 3.857 -5.188 -7.948 1.00 51.45 C ATOM 199 C GLY A 14 2.582 -5.308 -7.125 1.00 11.34 C ATOM 200 O GLY A 14 2.067 -4.373 -6.513 1.00 62.34 O ATOM 0 H GLY A 14 5.252 -3.660 -7.935 1.00 11.14 H new ATOM 0 HA2 GLY A 14 3.705 -5.674 -8.912 1.00 51.45 H new ATOM 0 HA3 GLY A 14 4.659 -5.726 -7.442 1.00 51.45 H new ATOM 204 N LYS A 15 2.073 -6.529 -7.128 1.00 71.35 N ATOM 205 CA LYS A 15 0.857 -6.917 -6.440 1.00 54.21 C ATOM 206 C LYS A 15 1.134 -7.158 -4.965 1.00 40.14 C ATOM 207 O LYS A 15 2.192 -7.702 -4.623 1.00 31.50 O ATOM 208 CB LYS A 15 0.290 -8.163 -7.125 1.00 40.45 C ATOM 209 CG LYS A 15 1.292 -9.324 -7.229 1.00 75.15 C ATOM 210 CD LYS A 15 0.668 -10.498 -7.982 1.00 32.53 C ATOM 211 CE LYS A 15 0.814 -10.321 -9.497 1.00 23.10 C ATOM 212 NZ LYS A 15 1.810 -11.259 -10.057 1.00 63.45 N ATOM 0 H LYS A 15 2.512 -7.303 -7.627 1.00 71.35 H new ATOM 0 HA LYS A 15 0.119 -6.117 -6.495 1.00 54.21 H new ATOM 0 HB2 LYS A 15 -0.588 -8.501 -6.574 1.00 40.45 H new ATOM 0 HB3 LYS A 15 -0.046 -7.894 -8.127 1.00 40.45 H new ATOM 0 HG2 LYS A 15 2.193 -8.991 -7.744 1.00 75.15 H new ATOM 0 HG3 LYS A 15 1.594 -9.643 -6.231 1.00 75.15 H new ATOM 0 HD2 LYS A 15 1.146 -11.428 -7.673 1.00 32.53 H new ATOM 0 HD3 LYS A 15 -0.387 -10.581 -7.722 1.00 32.53 H new ATOM 0 HE2 LYS A 15 -0.151 -10.482 -9.978 1.00 23.10 H new ATOM 0 HE3 LYS A 15 1.113 -9.296 -9.718 1.00 23.10 H new ATOM 0 HZ1 LYS A 15 1.885 -11.113 -11.084 1.00 63.45 H new ATOM 0 HZ2 LYS A 15 2.735 -11.088 -9.615 1.00 63.45 H new ATOM 0 HZ3 LYS A 15 1.511 -12.237 -9.867 1.00 63.45 H new ATOM 226 N TRP A 16 0.162 -6.846 -4.113 1.00 61.11 N ATOM 227 CA TRP A 16 0.268 -6.997 -2.670 1.00 74.45 C ATOM 228 C TRP A 16 -1.066 -7.448 -2.099 1.00 75.15 C ATOM 229 O TRP A 16 -2.111 -7.025 -2.586 1.00 33.20 O ATOM 230 CB TRP A 16 0.654 -5.667 -2.032 1.00 0.13 C ATOM 231 CG TRP A 16 1.932 -5.073 -2.489 1.00 0.33 C ATOM 232 CD1 TRP A 16 2.090 -4.284 -3.571 1.00 54.43 C ATOM 233 CD2 TRP A 16 3.252 -5.258 -1.926 1.00 72.11 C ATOM 234 NE1 TRP A 16 3.422 -3.983 -3.736 1.00 32.32 N ATOM 235 CE2 TRP A 16 4.186 -4.573 -2.753 1.00 72.12 C ATOM 236 CE3 TRP A 16 3.752 -5.975 -0.822 1.00 72.11 C ATOM 237 CZ2 TRP A 16 5.559 -4.617 -2.499 1.00 60.15 C ATOM 238 CZ3 TRP A 16 5.135 -6.066 -0.590 1.00 72.12 C ATOM 239 CH2 TRP A 16 6.032 -5.371 -1.416 1.00 3.44 C ATOM 0 H TRP A 16 -0.738 -6.474 -4.415 1.00 61.11 H new ATOM 0 HA TRP A 16 1.033 -7.742 -2.453 1.00 74.45 H new ATOM 0 HB2 TRP A 16 -0.145 -4.950 -2.222 1.00 0.13 H new ATOM 0 HB3 TRP A 16 0.707 -5.807 -0.952 1.00 0.13 H new ATOM 0 HD1 TRP A 16 1.291 -3.940 -4.211 1.00 54.43 H new ATOM 0 HE1 TRP A 16 3.794 -3.401 -4.486 1.00 32.32 H new ATOM 0 HE3 TRP A 16 3.064 -6.461 -0.146 1.00 72.11 H new ATOM 0 HZ2 TRP A 16 6.249 -4.076 -3.130 1.00 60.15 H new ATOM 0 HZ3 TRP A 16 5.508 -6.671 0.224 1.00 72.12 H new ATOM 0 HH2 TRP A 16 7.092 -5.417 -1.216 1.00 3.44 H new ATOM 250 N ILE A 17 -1.055 -8.232 -1.027 1.00 54.35 N ATOM 251 CA ILE A 17 -2.228 -8.541 -0.244 1.00 24.42 C ATOM 252 C ILE A 17 -2.061 -7.716 1.027 1.00 1.23 C ATOM 253 O ILE A 17 -0.952 -7.595 1.555 1.00 21.32 O ATOM 254 CB ILE A 17 -2.318 -10.070 -0.025 1.00 75.54 C ATOM 255 CG1 ILE A 17 -3.763 -10.527 0.217 1.00 31.22 C ATOM 256 CG2 ILE A 17 -1.452 -10.650 1.091 1.00 35.42 C ATOM 257 CD1 ILE A 17 -4.442 -10.764 -1.124 1.00 11.00 C ATOM 0 H ILE A 17 -0.207 -8.677 -0.677 1.00 54.35 H new ATOM 0 HA ILE A 17 -3.175 -8.285 -0.719 1.00 24.42 H new ATOM 0 HB ILE A 17 -1.921 -10.460 -0.962 1.00 75.54 H new ATOM 0 HG12 ILE A 17 -3.774 -11.441 0.811 1.00 31.22 H new ATOM 0 HG13 ILE A 17 -4.306 -9.772 0.785 1.00 31.22 H new ATOM 0 HG21 ILE A 17 -1.603 -11.728 1.145 1.00 35.42 H new ATOM 0 HG22 ILE A 17 -0.403 -10.440 0.884 1.00 35.42 H new ATOM 0 HG23 ILE A 17 -1.732 -10.196 2.042 1.00 35.42 H new ATOM 0 HD11 ILE A 17 -5.469 -11.089 -0.959 1.00 11.00 H new ATOM 0 HD12 ILE A 17 -4.442 -9.839 -1.700 1.00 11.00 H new ATOM 0 HD13 ILE A 17 -3.902 -11.534 -1.674 1.00 11.00 H new ATOM 269 N VAL A 18 -3.139 -7.118 1.526 1.00 60.22 N ATOM 270 CA VAL A 18 -3.124 -6.468 2.838 1.00 3.20 C ATOM 271 C VAL A 18 -3.456 -7.452 3.958 1.00 23.51 C ATOM 272 O VAL A 18 -3.689 -7.051 5.091 1.00 31.34 O ATOM 273 CB VAL A 18 -4.068 -5.252 2.827 1.00 11.33 C ATOM 274 CG1 VAL A 18 -5.547 -5.598 2.990 1.00 23.50 C ATOM 275 CG2 VAL A 18 -3.672 -4.253 3.915 1.00 0.21 C ATOM 0 H VAL A 18 -4.036 -7.069 1.043 1.00 60.22 H new ATOM 0 HA VAL A 18 -2.115 -6.110 3.042 1.00 3.20 H new ATOM 0 HB VAL A 18 -3.953 -4.816 1.835 1.00 11.33 H new ATOM 0 HG11 VAL A 18 -6.139 -4.683 2.971 1.00 23.50 H new ATOM 0 HG12 VAL A 18 -5.860 -6.250 2.174 1.00 23.50 H new ATOM 0 HG13 VAL A 18 -5.699 -6.108 3.941 1.00 23.50 H new ATOM 0 HG21 VAL A 18 -4.351 -3.401 3.891 1.00 0.21 H new ATOM 0 HG22 VAL A 18 -3.730 -4.736 4.891 1.00 0.21 H new ATOM 0 HG23 VAL A 18 -2.652 -3.910 3.740 1.00 0.21 H new ATOM 285 N LYS A 19 -3.567 -8.735 3.628 1.00 13.24 N ATOM 286 CA LYS A 19 -4.117 -9.782 4.481 1.00 71.31 C ATOM 287 C LYS A 19 -3.169 -10.146 5.632 1.00 15.14 C ATOM 288 O LYS A 19 -3.299 -11.192 6.253 1.00 3.04 O ATOM 289 CB LYS A 19 -4.533 -10.983 3.595 1.00 74.51 C ATOM 290 CG LYS A 19 -5.394 -12.072 4.248 1.00 3.42 C ATOM 291 CD LYS A 19 -5.938 -13.116 3.241 1.00 1.40 C ATOM 292 CE LYS A 19 -5.353 -14.506 3.529 1.00 3.13 C ATOM 293 NZ LYS A 19 -6.127 -15.634 2.962 1.00 61.33 N ATOM 0 H LYS A 19 -3.263 -9.088 2.720 1.00 13.24 H new ATOM 0 HA LYS A 19 -5.014 -9.419 4.983 1.00 71.31 H new ATOM 0 HB2 LYS A 19 -5.076 -10.595 2.733 1.00 74.51 H new ATOM 0 HB3 LYS A 19 -3.626 -11.453 3.215 1.00 74.51 H new ATOM 0 HG2 LYS A 19 -4.803 -12.585 5.007 1.00 3.42 H new ATOM 0 HG3 LYS A 19 -6.233 -11.602 4.761 1.00 3.42 H new ATOM 0 HD2 LYS A 19 -7.026 -13.154 3.302 1.00 1.40 H new ATOM 0 HD3 LYS A 19 -5.686 -12.814 2.225 1.00 1.40 H new ATOM 0 HE2 LYS A 19 -4.337 -14.546 3.135 1.00 3.13 H new ATOM 0 HE3 LYS A 19 -5.282 -14.639 4.609 1.00 3.13 H new ATOM 0 HZ1 LYS A 19 -5.820 -16.523 3.405 1.00 61.33 H new ATOM 0 HZ2 LYS A 19 -7.140 -15.487 3.146 1.00 61.33 H new ATOM 0 HZ3 LYS A 19 -5.965 -15.685 1.936 1.00 61.33 H new ATOM 307 N GLU A 20 -2.198 -9.296 5.941 1.00 54.21 N ATOM 308 CA GLU A 20 -1.152 -9.636 6.877 1.00 63.32 C ATOM 309 C GLU A 20 -0.713 -8.348 7.606 1.00 54.42 C ATOM 310 O GLU A 20 -0.107 -7.459 6.999 1.00 24.42 O ATOM 311 CB GLU A 20 -0.055 -10.411 6.112 1.00 13.12 C ATOM 312 CG GLU A 20 -0.103 -11.937 6.380 1.00 21.54 C ATOM 313 CD GLU A 20 -0.736 -12.799 5.280 1.00 4.00 C ATOM 314 OE1 GLU A 20 -0.631 -12.448 4.085 1.00 14.00 O ATOM 315 OE2 GLU A 20 -1.271 -13.874 5.640 1.00 55.03 O ATOM 0 H GLU A 20 -2.120 -8.358 5.548 1.00 54.21 H new ATOM 0 HA GLU A 20 -1.472 -10.310 7.672 1.00 63.32 H new ATOM 0 HB2 GLU A 20 -0.167 -10.230 5.043 1.00 13.12 H new ATOM 0 HB3 GLU A 20 0.923 -10.026 6.400 1.00 13.12 H new ATOM 0 HG2 GLU A 20 0.916 -12.288 6.546 1.00 21.54 H new ATOM 0 HG3 GLU A 20 -0.653 -12.105 7.306 1.00 21.54 H new ATOM 322 N PRO A 21 -1.064 -8.177 8.897 1.00 62.52 N ATOM 323 CA PRO A 21 -2.182 -8.834 9.559 1.00 22.52 C ATOM 324 C PRO A 21 -3.482 -8.605 8.794 1.00 51.31 C ATOM 325 O PRO A 21 -3.702 -7.548 8.192 1.00 74.35 O ATOM 326 CB PRO A 21 -2.266 -8.230 10.960 1.00 31.12 C ATOM 327 CG PRO A 21 -1.530 -6.898 10.838 1.00 3.01 C ATOM 328 CD PRO A 21 -0.453 -7.227 9.812 1.00 33.41 C ATOM 0 HA PRO A 21 -2.031 -9.913 9.601 1.00 22.52 H new ATOM 0 HB2 PRO A 21 -3.301 -8.086 11.270 1.00 31.12 H new ATOM 0 HB3 PRO A 21 -1.798 -8.877 11.702 1.00 31.12 H new ATOM 0 HG2 PRO A 21 -2.187 -6.098 10.498 1.00 3.01 H new ATOM 0 HG3 PRO A 21 -1.104 -6.578 11.789 1.00 3.01 H new ATOM 0 HD2 PRO A 21 -0.126 -6.330 9.286 1.00 33.41 H new ATOM 0 HD3 PRO A 21 0.428 -7.655 10.291 1.00 33.41 H new ATOM 336 N VAL A 22 -4.330 -9.626 8.831 1.00 55.05 N ATOM 337 CA VAL A 22 -5.679 -9.564 8.300 1.00 20.53 C ATOM 338 C VAL A 22 -6.563 -8.832 9.315 1.00 55.35 C ATOM 339 O VAL A 22 -6.308 -8.870 10.527 1.00 22.50 O ATOM 340 CB VAL A 22 -6.185 -10.964 7.865 1.00 60.41 C ATOM 341 CG1 VAL A 22 -5.908 -12.071 8.889 1.00 35.54 C ATOM 342 CG2 VAL A 22 -7.658 -10.966 7.430 1.00 71.24 C ATOM 0 H VAL A 22 -4.093 -10.531 9.237 1.00 55.05 H new ATOM 0 HA VAL A 22 -5.712 -8.986 7.376 1.00 20.53 H new ATOM 0 HB VAL A 22 -5.587 -11.201 6.985 1.00 60.41 H new ATOM 0 HG11 VAL A 22 -6.291 -13.019 8.512 1.00 35.54 H new ATOM 0 HG12 VAL A 22 -4.834 -12.154 9.054 1.00 35.54 H new ATOM 0 HG13 VAL A 22 -6.402 -11.828 9.830 1.00 35.54 H new ATOM 0 HG21 VAL A 22 -7.950 -11.975 7.138 1.00 71.24 H new ATOM 0 HG22 VAL A 22 -8.283 -10.633 8.259 1.00 71.24 H new ATOM 0 HG23 VAL A 22 -7.788 -10.291 6.584 1.00 71.24 H new ATOM 352 N LEU A 23 -7.583 -8.145 8.792 1.00 42.43 N ATOM 353 CA LEU A 23 -8.631 -7.461 9.532 1.00 1.01 C ATOM 354 C LEU A 23 -9.563 -8.475 10.217 1.00 3.40 C ATOM 355 O LEU A 23 -9.349 -9.691 10.206 1.00 53.14 O ATOM 356 CB LEU A 23 -9.455 -6.550 8.589 1.00 24.33 C ATOM 357 CG LEU A 23 -8.711 -5.483 7.764 1.00 75.42 C ATOM 358 CD1 LEU A 23 -9.724 -4.465 7.232 1.00 2.23 C ATOM 359 CD2 LEU A 23 -7.638 -4.714 8.539 1.00 53.35 C ATOM 0 H LEU A 23 -7.700 -8.050 7.783 1.00 42.43 H new ATOM 0 HA LEU A 23 -8.157 -6.846 10.297 1.00 1.01 H new ATOM 0 HB2 LEU A 23 -9.992 -7.193 7.892 1.00 24.33 H new ATOM 0 HB3 LEU A 23 -10.205 -6.039 9.193 1.00 24.33 H new ATOM 0 HG LEU A 23 -8.203 -6.027 6.968 1.00 75.42 H new ATOM 0 HD11 LEU A 23 -9.204 -3.706 6.647 1.00 2.23 H new ATOM 0 HD12 LEU A 23 -10.453 -4.973 6.601 1.00 2.23 H new ATOM 0 HD13 LEU A 23 -10.236 -3.990 8.069 1.00 2.23 H new ATOM 0 HD21 LEU A 23 -7.166 -3.985 7.881 1.00 53.35 H new ATOM 0 HD22 LEU A 23 -8.098 -4.198 9.382 1.00 53.35 H new ATOM 0 HD23 LEU A 23 -6.885 -5.411 8.907 1.00 53.35 H new ATOM 371 N GLN A 24 -10.633 -7.951 10.813 1.00 21.31 N ATOM 372 CA GLN A 24 -11.725 -8.771 11.300 1.00 44.01 C ATOM 373 C GLN A 24 -12.463 -9.488 10.159 1.00 51.12 C ATOM 374 O GLN A 24 -12.341 -9.127 8.986 1.00 42.03 O ATOM 375 CB GLN A 24 -12.670 -7.959 12.184 1.00 64.22 C ATOM 376 CG GLN A 24 -13.465 -6.916 11.403 1.00 43.31 C ATOM 377 CD GLN A 24 -14.816 -6.718 12.073 1.00 63.24 C ATOM 378 OE1 GLN A 24 -14.931 -5.908 12.993 1.00 52.03 O ATOM 379 NE2 GLN A 24 -15.823 -7.492 11.692 1.00 1.33 N ATOM 0 H GLN A 24 -10.761 -6.951 10.968 1.00 21.31 H new ATOM 0 HA GLN A 24 -11.295 -9.556 11.922 1.00 44.01 H new ATOM 0 HB2 GLN A 24 -13.362 -8.636 12.685 1.00 64.22 H new ATOM 0 HB3 GLN A 24 -12.093 -7.460 12.962 1.00 64.22 H new ATOM 0 HG2 GLN A 24 -12.919 -5.973 11.371 1.00 43.31 H new ATOM 0 HG3 GLN A 24 -13.601 -7.241 10.371 1.00 43.31 H new ATOM 0 HE21 GLN A 24 -15.696 -8.154 10.926 1.00 1.33 H new ATOM 0 HE22 GLN A 24 -16.724 -7.426 12.165 1.00 1.33 H new ATOM 388 N ASP A 25 -13.278 -10.461 10.565 1.00 41.21 N ATOM 389 CA ASP A 25 -14.048 -11.424 9.797 1.00 21.34 C ATOM 390 C ASP A 25 -13.111 -12.168 8.857 1.00 72.15 C ATOM 391 O ASP A 25 -12.545 -13.202 9.207 1.00 15.11 O ATOM 392 CB ASP A 25 -15.280 -10.829 9.101 1.00 22.32 C ATOM 393 CG ASP A 25 -16.502 -10.809 10.018 1.00 21.41 C ATOM 394 OD1 ASP A 25 -16.947 -11.888 10.484 1.00 62.54 O ATOM 395 OD2 ASP A 25 -17.021 -9.700 10.275 1.00 11.34 O ATOM 0 H ASP A 25 -13.428 -10.605 11.564 1.00 41.21 H new ATOM 0 HA ASP A 25 -14.487 -12.142 10.490 1.00 21.34 H new ATOM 0 HB2 ASP A 25 -15.056 -9.814 8.773 1.00 22.32 H new ATOM 0 HB3 ASP A 25 -15.507 -11.410 8.207 1.00 22.32 H new ATOM 400 N ASP A 26 -12.885 -11.570 7.692 1.00 0.42 N ATOM 401 CA ASP A 26 -12.152 -12.085 6.549 1.00 61.53 C ATOM 402 C ASP A 26 -11.721 -10.985 5.562 1.00 23.52 C ATOM 403 O ASP A 26 -11.231 -11.317 4.487 1.00 75.21 O ATOM 404 CB ASP A 26 -12.954 -13.199 5.828 1.00 54.22 C ATOM 405 CG ASP A 26 -14.273 -12.741 5.206 1.00 21.11 C ATOM 406 OD1 ASP A 26 -14.267 -12.089 4.129 1.00 34.51 O ATOM 407 OD2 ASP A 26 -15.344 -13.005 5.793 1.00 35.43 O ATOM 0 H ASP A 26 -13.242 -10.632 7.512 1.00 0.42 H new ATOM 0 HA ASP A 26 -11.233 -12.519 6.944 1.00 61.53 H new ATOM 0 HB2 ASP A 26 -12.329 -13.628 5.045 1.00 54.22 H new ATOM 0 HB3 ASP A 26 -13.163 -13.996 6.541 1.00 54.22 H new ATOM 412 N PHE A 27 -11.886 -9.692 5.886 1.00 1.32 N ATOM 413 CA PHE A 27 -11.710 -8.585 4.938 1.00 61.55 C ATOM 414 C PHE A 27 -10.287 -8.496 4.370 1.00 63.43 C ATOM 415 O PHE A 27 -9.404 -7.847 4.941 1.00 3.33 O ATOM 416 CB PHE A 27 -12.090 -7.240 5.566 1.00 71.32 C ATOM 417 CG PHE A 27 -13.526 -6.826 5.399 1.00 74.35 C ATOM 418 CD1 PHE A 27 -13.895 -6.214 4.194 1.00 55.10 C ATOM 419 CD2 PHE A 27 -14.470 -6.988 6.428 1.00 11.02 C ATOM 420 CE1 PHE A 27 -15.197 -5.741 4.014 1.00 52.43 C ATOM 421 CE2 PHE A 27 -15.786 -6.528 6.243 1.00 14.15 C ATOM 422 CZ PHE A 27 -16.142 -5.898 5.036 1.00 61.32 C ATOM 0 H PHE A 27 -12.148 -9.385 6.823 1.00 1.32 H new ATOM 0 HA PHE A 27 -12.385 -8.804 4.111 1.00 61.55 H new ATOM 0 HB2 PHE A 27 -11.864 -7.280 6.632 1.00 71.32 H new ATOM 0 HB3 PHE A 27 -11.455 -6.466 5.135 1.00 71.32 H new ATOM 0 HD1 PHE A 27 -13.170 -6.107 3.401 1.00 55.10 H new ATOM 0 HD2 PHE A 27 -14.186 -7.463 7.355 1.00 11.02 H new ATOM 0 HE1 PHE A 27 -15.474 -5.256 3.090 1.00 52.43 H new ATOM 0 HE2 PHE A 27 -16.521 -6.658 7.024 1.00 14.15 H new ATOM 0 HZ PHE A 27 -17.149 -5.534 4.897 1.00 61.32 H new ATOM 432 N VAL A 28 -10.089 -9.044 3.179 1.00 4.30 N ATOM 433 CA VAL A 28 -8.853 -8.993 2.415 1.00 11.12 C ATOM 434 C VAL A 28 -8.989 -7.893 1.368 1.00 24.51 C ATOM 435 O VAL A 28 -10.097 -7.455 1.031 1.00 55.33 O ATOM 436 CB VAL A 28 -8.512 -10.420 1.894 1.00 12.33 C ATOM 437 CG1 VAL A 28 -9.670 -11.215 1.271 1.00 44.23 C ATOM 438 CG2 VAL A 28 -7.364 -10.426 0.879 1.00 20.31 C ATOM 0 H VAL A 28 -10.824 -9.562 2.697 1.00 4.30 H new ATOM 0 HA VAL A 28 -7.985 -8.716 3.013 1.00 11.12 H new ATOM 0 HB VAL A 28 -8.230 -10.920 2.821 1.00 12.33 H new ATOM 0 HG11 VAL A 28 -9.308 -12.191 0.946 1.00 44.23 H new ATOM 0 HG12 VAL A 28 -10.459 -11.348 2.011 1.00 44.23 H new ATOM 0 HG13 VAL A 28 -10.065 -10.671 0.413 1.00 44.23 H new ATOM 0 HG21 VAL A 28 -7.172 -11.448 0.552 1.00 20.31 H new ATOM 0 HG22 VAL A 28 -7.636 -9.815 0.018 1.00 20.31 H new ATOM 0 HG23 VAL A 28 -6.466 -10.019 1.343 1.00 20.31 H new ATOM 448 N THR A 29 -7.839 -7.430 0.883 1.00 34.33 N ATOM 449 CA THR A 29 -7.742 -6.513 -0.223 1.00 44.15 C ATOM 450 C THR A 29 -6.488 -6.866 -1.009 1.00 75.23 C ATOM 451 O THR A 29 -5.471 -7.265 -0.426 1.00 42.22 O ATOM 452 CB THR A 29 -7.596 -5.068 0.279 1.00 12.41 C ATOM 453 OG1 THR A 29 -8.416 -4.781 1.399 1.00 3.12 O ATOM 454 CG2 THR A 29 -7.779 -4.066 -0.877 1.00 32.34 C ATOM 0 H THR A 29 -6.932 -7.696 1.266 1.00 34.33 H new ATOM 0 HA THR A 29 -8.642 -6.589 -0.834 1.00 44.15 H new ATOM 0 HB THR A 29 -6.577 -4.955 0.648 1.00 12.41 H new ATOM 0 HG1 THR A 29 -8.709 -3.847 1.359 1.00 3.12 H new ATOM 0 HG21 THR A 29 -7.671 -3.050 -0.498 1.00 32.34 H new ATOM 0 HG22 THR A 29 -7.024 -4.250 -1.641 1.00 32.34 H new ATOM 0 HG23 THR A 29 -8.771 -4.188 -1.311 1.00 32.34 H new ATOM 462 N CYS A 30 -6.544 -6.605 -2.306 1.00 42.33 N ATOM 463 CA CYS A 30 -5.434 -6.602 -3.227 1.00 73.54 C ATOM 464 C CYS A 30 -5.024 -5.134 -3.354 1.00 20.51 C ATOM 465 O CYS A 30 -5.898 -4.284 -3.541 1.00 22.12 O ATOM 466 CB CYS A 30 -5.936 -7.226 -4.536 1.00 14.43 C ATOM 467 SG CYS A 30 -7.452 -6.407 -5.129 1.00 21.12 S ATOM 0 H CYS A 30 -7.425 -6.376 -2.766 1.00 42.33 H new ATOM 0 HA CYS A 30 -4.564 -7.180 -2.915 1.00 73.54 H new ATOM 0 HB2 CYS A 30 -5.159 -7.151 -5.297 1.00 14.43 H new ATOM 0 HB3 CYS A 30 -6.131 -8.287 -4.383 1.00 14.43 H new ATOM 0 HG CYS A 30 -7.454 -5.166 -4.743 1.00 21.12 H new ATOM 473 N TYR A 31 -3.747 -4.802 -3.177 1.00 42.04 N ATOM 474 CA TYR A 31 -3.208 -3.467 -3.402 1.00 64.14 C ATOM 475 C TYR A 31 -2.256 -3.583 -4.575 1.00 0.10 C ATOM 476 O TYR A 31 -1.168 -4.137 -4.431 1.00 15.42 O ATOM 477 CB TYR A 31 -2.518 -2.861 -2.156 1.00 31.20 C ATOM 478 CG TYR A 31 -3.340 -2.155 -1.079 1.00 3.41 C ATOM 479 CD1 TYR A 31 -4.509 -2.729 -0.557 1.00 23.51 C ATOM 480 CD2 TYR A 31 -2.912 -0.911 -0.570 1.00 0.23 C ATOM 481 CE1 TYR A 31 -5.249 -2.091 0.455 1.00 51.32 C ATOM 482 CE2 TYR A 31 -3.639 -0.255 0.447 1.00 4.01 C ATOM 483 CZ TYR A 31 -4.817 -0.848 0.962 1.00 12.43 C ATOM 484 OH TYR A 31 -5.465 -0.280 2.019 1.00 74.32 O ATOM 0 H TYR A 31 -3.043 -5.472 -2.866 1.00 42.04 H new ATOM 0 HA TYR A 31 -4.021 -2.773 -3.616 1.00 64.14 H new ATOM 0 HB2 TYR A 31 -1.972 -3.668 -1.667 1.00 31.20 H new ATOM 0 HB3 TYR A 31 -1.777 -2.147 -2.515 1.00 31.20 H new ATOM 0 HD1 TYR A 31 -4.848 -3.680 -0.940 1.00 23.51 H new ATOM 0 HD2 TYR A 31 -2.016 -0.454 -0.964 1.00 0.23 H new ATOM 0 HE1 TYR A 31 -6.146 -2.552 0.843 1.00 51.32 H new ATOM 0 HE2 TYR A 31 -3.298 0.695 0.831 1.00 4.01 H new ATOM 0 HH TYR A 31 -5.039 0.574 2.243 1.00 74.32 H new ATOM 494 N THR A 32 -2.657 -3.085 -5.742 1.00 40.05 N ATOM 495 CA THR A 32 -1.713 -2.829 -6.825 1.00 32.32 C ATOM 496 C THR A 32 -1.433 -1.331 -6.810 1.00 63.15 C ATOM 497 O THR A 32 -2.337 -0.520 -6.578 1.00 4.32 O ATOM 498 CB THR A 32 -2.269 -3.297 -8.177 1.00 20.22 C ATOM 499 OG1 THR A 32 -3.141 -4.398 -8.029 1.00 61.12 O ATOM 500 CG2 THR A 32 -1.114 -3.786 -9.049 1.00 64.21 C ATOM 0 H THR A 32 -3.626 -2.852 -5.961 1.00 40.05 H new ATOM 0 HA THR A 32 -0.790 -3.391 -6.681 1.00 32.32 H new ATOM 0 HB THR A 32 -2.801 -2.453 -8.617 1.00 20.22 H new ATOM 0 HG1 THR A 32 -3.478 -4.669 -8.908 1.00 61.12 H new ATOM 0 HG21 THR A 32 -1.501 -4.120 -10.012 1.00 64.21 H new ATOM 0 HG22 THR A 32 -0.406 -2.972 -9.205 1.00 64.21 H new ATOM 0 HG23 THR A 32 -0.609 -4.615 -8.553 1.00 64.21 H new ATOM 508 N PHE A 33 -0.178 -0.941 -7.008 1.00 72.21 N ATOM 509 CA PHE A 33 0.198 0.448 -7.252 1.00 0.43 C ATOM 510 C PHE A 33 0.385 0.612 -8.767 1.00 2.31 C ATOM 511 O PHE A 33 0.173 -0.333 -9.533 1.00 43.35 O ATOM 512 CB PHE A 33 1.430 0.821 -6.399 1.00 44.15 C ATOM 513 CG PHE A 33 1.219 0.598 -4.911 1.00 53.45 C ATOM 514 CD1 PHE A 33 1.370 -0.687 -4.356 1.00 73.52 C ATOM 515 CD2 PHE A 33 0.846 1.674 -4.081 1.00 31.33 C ATOM 516 CE1 PHE A 33 1.109 -0.902 -2.993 1.00 2.00 C ATOM 517 CE2 PHE A 33 0.619 1.463 -2.709 1.00 14.40 C ATOM 518 CZ PHE A 33 0.741 0.173 -2.166 1.00 14.14 C ATOM 0 H PHE A 33 0.613 -1.585 -7.004 1.00 72.21 H new ATOM 0 HA PHE A 33 -0.574 1.152 -6.940 1.00 0.43 H new ATOM 0 HB2 PHE A 33 2.285 0.231 -6.730 1.00 44.15 H new ATOM 0 HB3 PHE A 33 1.679 1.868 -6.571 1.00 44.15 H new ATOM 0 HD1 PHE A 33 1.687 -1.509 -4.980 1.00 73.52 H new ATOM 0 HD2 PHE A 33 0.734 2.663 -4.499 1.00 31.33 H new ATOM 0 HE1 PHE A 33 1.191 -1.896 -2.579 1.00 2.00 H new ATOM 0 HE2 PHE A 33 0.351 2.293 -2.072 1.00 14.40 H new ATOM 0 HZ PHE A 33 0.552 0.008 -1.115 1.00 14.14 H new ATOM 528 N ASN A 34 0.725 1.817 -9.217 1.00 61.44 N ATOM 529 CA ASN A 34 1.176 2.132 -10.570 1.00 31.42 C ATOM 530 C ASN A 34 2.512 2.845 -10.476 1.00 0.13 C ATOM 531 O ASN A 34 2.968 3.190 -9.390 1.00 15.02 O ATOM 532 CB ASN A 34 0.162 3.010 -11.325 1.00 75.51 C ATOM 533 CG ASN A 34 -0.849 2.162 -12.080 1.00 35.22 C ATOM 534 OD1 ASN A 34 -1.496 1.203 -11.440 1.00 62.44 O flip ATOM 535 ND2 ASN A 34 -1.019 2.360 -13.271 1.00 11.01 N flip ATOM 0 H ASN A 34 0.692 2.642 -8.618 1.00 61.44 H new ATOM 0 HA ASN A 34 1.274 1.203 -11.131 1.00 31.42 H new ATOM 0 HB2 ASN A 34 -0.358 3.657 -10.619 1.00 75.51 H new ATOM 0 HB3 ASN A 34 0.689 3.659 -12.024 1.00 75.51 H new ATOM 0 HD21 ASN A 34 -0.508 3.106 -13.742 1.00 11.01 H new ATOM 0 HD22 ASN A 34 -1.673 1.779 -13.796 1.00 11.01 H new ATOM 542 N ALA A 35 3.120 3.078 -11.633 1.00 0.33 N ATOM 543 CA ALA A 35 4.443 3.641 -11.757 1.00 73.13 C ATOM 544 C ALA A 35 4.490 5.159 -11.532 1.00 53.05 C ATOM 545 O ALA A 35 5.591 5.677 -11.350 1.00 54.25 O ATOM 546 CB ALA A 35 4.969 3.256 -13.142 1.00 60.32 C ATOM 0 H ALA A 35 2.686 2.871 -12.533 1.00 0.33 H new ATOM 0 HA ALA A 35 5.078 3.235 -10.970 1.00 73.13 H new ATOM 0 HB1 ALA A 35 5.971 3.664 -13.277 1.00 60.32 H new ATOM 0 HB2 ALA A 35 5.004 2.170 -13.229 1.00 60.32 H new ATOM 0 HB3 ALA A 35 4.307 3.660 -13.908 1.00 60.32 H new ATOM 552 N ASP A 36 3.353 5.871 -11.610 1.00 22.22 N ATOM 553 CA ASP A 36 3.140 7.269 -11.170 1.00 13.03 C ATOM 554 C ASP A 36 1.650 7.678 -11.198 1.00 72.24 C ATOM 555 O ASP A 36 1.296 8.690 -10.594 1.00 54.02 O ATOM 556 CB ASP A 36 3.954 8.289 -11.989 1.00 40.35 C ATOM 557 CG ASP A 36 4.068 9.684 -11.354 1.00 41.12 C ATOM 558 OD1 ASP A 36 4.232 9.810 -10.120 1.00 55.25 O ATOM 559 OD2 ASP A 36 4.162 10.674 -12.117 1.00 41.21 O ATOM 0 H ASP A 36 2.504 5.466 -12.005 1.00 22.22 H new ATOM 0 HA ASP A 36 3.495 7.290 -10.140 1.00 13.03 H new ATOM 0 HB2 ASP A 36 4.958 7.892 -12.142 1.00 40.35 H new ATOM 0 HB3 ASP A 36 3.497 8.390 -12.974 1.00 40.35 H new ATOM 564 N LYS A 37 0.745 6.926 -11.862 1.00 61.52 N ATOM 565 CA LYS A 37 -0.543 7.455 -12.288 1.00 52.23 C ATOM 566 C LYS A 37 -1.609 7.304 -11.212 1.00 75.24 C ATOM 567 O LYS A 37 -2.032 8.316 -10.657 1.00 64.55 O ATOM 568 CB LYS A 37 -0.938 6.831 -13.641 1.00 52.13 C ATOM 569 CG LYS A 37 -2.269 7.347 -14.208 1.00 15.42 C ATOM 570 CD LYS A 37 -2.385 8.880 -14.208 1.00 41.13 C ATOM 571 CE LYS A 37 -3.654 9.274 -14.963 1.00 22.21 C ATOM 572 NZ LYS A 37 -3.785 10.728 -15.158 1.00 74.11 N ATOM 0 H LYS A 37 0.896 5.948 -12.109 1.00 61.52 H new ATOM 0 HA LYS A 37 -0.454 8.531 -12.439 1.00 52.23 H new ATOM 0 HB2 LYS A 37 -0.147 7.029 -14.364 1.00 52.13 H new ATOM 0 HB3 LYS A 37 -1.001 5.749 -13.525 1.00 52.13 H new ATOM 0 HG2 LYS A 37 -2.385 6.982 -15.229 1.00 15.42 H new ATOM 0 HG3 LYS A 37 -3.089 6.929 -13.625 1.00 15.42 H new ATOM 0 HD2 LYS A 37 -2.421 9.256 -13.186 1.00 41.13 H new ATOM 0 HD3 LYS A 37 -1.510 9.325 -14.681 1.00 41.13 H new ATOM 0 HE2 LYS A 37 -3.658 8.782 -15.935 1.00 22.21 H new ATOM 0 HE3 LYS A 37 -4.523 8.907 -14.416 1.00 22.21 H new ATOM 0 HZ1 LYS A 37 -4.664 10.931 -15.675 1.00 74.11 H new ATOM 0 HZ2 LYS A 37 -3.811 11.201 -14.232 1.00 74.11 H new ATOM 0 HZ3 LYS A 37 -2.973 11.080 -15.704 1.00 74.11 H new ATOM 586 N THR A 38 -2.069 6.085 -10.931 1.00 53.12 N ATOM 587 CA THR A 38 -3.200 5.832 -10.052 1.00 22.34 C ATOM 588 C THR A 38 -3.060 4.431 -9.429 1.00 14.24 C ATOM 589 O THR A 38 -2.625 3.520 -10.124 1.00 32.54 O ATOM 590 CB THR A 38 -4.517 5.959 -10.860 1.00 2.00 C ATOM 591 OG1 THR A 38 -4.425 5.277 -12.103 1.00 52.42 O ATOM 592 CG2 THR A 38 -4.870 7.413 -11.173 1.00 14.30 C ATOM 0 H THR A 38 -1.657 5.235 -11.316 1.00 53.12 H new ATOM 0 HA THR A 38 -3.221 6.564 -9.245 1.00 22.34 H new ATOM 0 HB THR A 38 -5.289 5.519 -10.229 1.00 2.00 H new ATOM 0 HG1 THR A 38 -5.269 5.372 -12.591 1.00 52.42 H new ATOM 0 HG21 THR A 38 -5.800 7.448 -11.740 1.00 14.30 H new ATOM 0 HG22 THR A 38 -4.992 7.966 -10.242 1.00 14.30 H new ATOM 0 HG23 THR A 38 -4.070 7.863 -11.761 1.00 14.30 H new ATOM 600 N TYR A 39 -3.409 4.222 -8.153 1.00 44.23 N ATOM 601 CA TYR A 39 -3.419 2.884 -7.537 1.00 53.05 C ATOM 602 C TYR A 39 -4.724 2.159 -7.880 1.00 34.53 C ATOM 603 O TYR A 39 -5.589 2.718 -8.551 1.00 0.20 O ATOM 604 CB TYR A 39 -3.135 2.929 -6.020 1.00 1.32 C ATOM 605 CG TYR A 39 -4.171 3.528 -5.091 1.00 44.15 C ATOM 606 CD1 TYR A 39 -4.260 4.932 -5.069 1.00 72.24 C ATOM 607 CD2 TYR A 39 -4.889 2.758 -4.135 1.00 51.05 C ATOM 608 CE1 TYR A 39 -5.077 5.588 -4.144 1.00 31.21 C ATOM 609 CE2 TYR A 39 -5.676 3.435 -3.190 1.00 72.31 C ATOM 610 CZ TYR A 39 -5.813 4.840 -3.209 1.00 14.32 C ATOM 611 OH TYR A 39 -6.657 5.462 -2.345 1.00 23.21 O ATOM 0 H TYR A 39 -3.691 4.970 -7.519 1.00 44.23 H new ATOM 0 HA TYR A 39 -2.597 2.307 -7.960 1.00 53.05 H new ATOM 0 HB2 TYR A 39 -2.951 1.906 -5.690 1.00 1.32 H new ATOM 0 HB3 TYR A 39 -2.207 3.482 -5.876 1.00 1.32 H new ATOM 0 HD1 TYR A 39 -3.688 5.512 -5.778 1.00 72.24 H new ATOM 0 HD2 TYR A 39 -4.830 1.680 -4.136 1.00 51.05 H new ATOM 0 HE1 TYR A 39 -5.143 6.666 -4.148 1.00 31.21 H new ATOM 0 HE2 TYR A 39 -6.190 2.866 -2.429 1.00 72.31 H new ATOM 0 HH TYR A 39 -6.730 6.410 -2.584 1.00 23.21 H new ATOM 621 N GLU A 40 -4.873 0.917 -7.422 1.00 52.35 N ATOM 622 CA GLU A 40 -5.969 0.016 -7.760 1.00 3.21 C ATOM 623 C GLU A 40 -6.158 -0.890 -6.536 1.00 33.14 C ATOM 624 O GLU A 40 -5.300 -1.737 -6.277 1.00 72.23 O ATOM 625 CB GLU A 40 -5.623 -0.820 -9.023 1.00 21.34 C ATOM 626 CG GLU A 40 -5.748 -0.057 -10.352 1.00 15.44 C ATOM 627 CD GLU A 40 -5.968 -0.977 -11.569 1.00 34.31 C ATOM 628 OE1 GLU A 40 -7.133 -1.283 -11.912 1.00 41.04 O ATOM 629 OE2 GLU A 40 -4.994 -1.408 -12.231 1.00 72.24 O ATOM 0 H GLU A 40 -4.204 0.495 -6.778 1.00 52.35 H new ATOM 0 HA GLU A 40 -6.882 0.564 -7.992 1.00 3.21 H new ATOM 0 HB2 GLU A 40 -4.603 -1.192 -8.928 1.00 21.34 H new ATOM 0 HB3 GLU A 40 -6.278 -1.691 -9.056 1.00 21.34 H new ATOM 0 HG2 GLU A 40 -6.579 0.645 -10.282 1.00 15.44 H new ATOM 0 HG3 GLU A 40 -4.845 0.532 -10.510 1.00 15.44 H new ATOM 636 N VAL A 41 -7.222 -0.692 -5.746 1.00 44.25 N ATOM 637 CA VAL A 41 -7.477 -1.471 -4.520 1.00 42.41 C ATOM 638 C VAL A 41 -8.936 -1.861 -4.381 1.00 12.31 C ATOM 639 O VAL A 41 -9.789 -1.213 -4.988 1.00 62.24 O ATOM 640 CB VAL A 41 -7.023 -0.689 -3.275 1.00 35.24 C ATOM 641 CG1 VAL A 41 -5.539 -0.836 -3.145 1.00 53.42 C ATOM 642 CG2 VAL A 41 -7.621 0.704 -3.151 1.00 53.13 C ATOM 0 H VAL A 41 -7.933 0.014 -5.937 1.00 44.25 H new ATOM 0 HA VAL A 41 -6.895 -2.389 -4.602 1.00 42.41 H new ATOM 0 HB VAL A 41 -7.450 -1.125 -2.372 1.00 35.24 H new ATOM 0 HG11 VAL A 41 -5.195 -0.289 -2.268 1.00 53.42 H new ATOM 0 HG12 VAL A 41 -5.286 -1.891 -3.037 1.00 53.42 H new ATOM 0 HG13 VAL A 41 -5.054 -0.436 -4.036 1.00 53.42 H new ATOM 0 HG21 VAL A 41 -7.246 1.182 -2.246 1.00 53.13 H new ATOM 0 HG22 VAL A 41 -7.339 1.300 -4.019 1.00 53.13 H new ATOM 0 HG23 VAL A 41 -8.707 0.630 -3.099 1.00 53.13 H new ATOM 652 N TYR A 42 -9.228 -2.921 -3.614 1.00 3.31 N ATOM 653 CA TYR A 42 -10.536 -3.531 -3.563 1.00 11.24 C ATOM 654 C TYR A 42 -10.673 -4.343 -2.259 1.00 61.24 C ATOM 655 O TYR A 42 -10.222 -5.482 -2.152 1.00 22.13 O ATOM 656 CB TYR A 42 -10.600 -4.423 -4.789 1.00 64.13 C ATOM 657 CG TYR A 42 -11.990 -4.927 -5.080 1.00 52.11 C ATOM 658 CD1 TYR A 42 -12.566 -5.828 -4.181 1.00 51.34 C ATOM 659 CD2 TYR A 42 -12.725 -4.473 -6.179 1.00 11.14 C ATOM 660 CE1 TYR A 42 -13.907 -6.227 -4.317 1.00 35.14 C ATOM 661 CE2 TYR A 42 -14.072 -4.839 -6.316 1.00 62.50 C ATOM 662 CZ TYR A 42 -14.682 -5.681 -5.364 1.00 15.04 C ATOM 663 OH TYR A 42 -16.003 -5.951 -5.489 1.00 60.11 O ATOM 0 H TYR A 42 -8.543 -3.374 -3.009 1.00 3.31 H new ATOM 0 HA TYR A 42 -11.349 -2.805 -3.565 1.00 11.24 H new ATOM 0 HB2 TYR A 42 -10.232 -3.870 -5.653 1.00 64.13 H new ATOM 0 HB3 TYR A 42 -9.933 -5.274 -4.647 1.00 64.13 H new ATOM 0 HD1 TYR A 42 -11.973 -6.224 -3.370 1.00 51.34 H new ATOM 0 HD2 TYR A 42 -12.257 -3.842 -6.920 1.00 11.14 H new ATOM 0 HE1 TYR A 42 -14.338 -6.941 -3.631 1.00 35.14 H new ATOM 0 HE2 TYR A 42 -14.645 -4.474 -7.155 1.00 62.50 H new ATOM 0 HH TYR A 42 -16.125 -6.901 -5.696 1.00 60.11 H new ATOM 673 N THR A 43 -11.216 -3.725 -1.231 1.00 62.55 N ATOM 674 CA THR A 43 -11.452 -4.325 0.089 1.00 34.40 C ATOM 675 C THR A 43 -12.848 -4.948 0.147 1.00 33.21 C ATOM 676 O THR A 43 -13.807 -4.257 -0.205 1.00 2.04 O ATOM 677 CB THR A 43 -11.272 -3.298 1.222 1.00 4.24 C ATOM 678 OG1 THR A 43 -10.015 -2.672 1.093 1.00 21.11 O ATOM 679 CG2 THR A 43 -11.316 -3.973 2.599 1.00 73.31 C ATOM 0 H THR A 43 -11.521 -2.753 -1.282 1.00 62.55 H new ATOM 0 HA THR A 43 -10.708 -5.108 0.235 1.00 34.40 H new ATOM 0 HB THR A 43 -12.085 -2.576 1.145 1.00 4.24 H new ATOM 0 HG1 THR A 43 -9.900 -2.017 1.813 1.00 21.11 H new ATOM 0 HG21 THR A 43 -11.186 -3.221 3.377 1.00 73.31 H new ATOM 0 HG22 THR A 43 -12.278 -4.469 2.731 1.00 73.31 H new ATOM 0 HG23 THR A 43 -10.516 -4.710 2.669 1.00 73.31 H new ATOM 687 N GLY A 44 -12.974 -6.183 0.660 1.00 43.23 N ATOM 688 CA GLY A 44 -14.250 -6.879 0.778 1.00 52.22 C ATOM 689 C GLY A 44 -14.738 -7.384 -0.577 1.00 31.44 C ATOM 690 O GLY A 44 -15.268 -6.617 -1.382 1.00 62.41 O ATOM 0 H GLY A 44 -12.182 -6.724 1.005 1.00 43.23 H new ATOM 0 HA2 GLY A 44 -14.145 -7.719 1.465 1.00 52.22 H new ATOM 0 HA3 GLY A 44 -14.994 -6.207 1.207 1.00 52.22 H new ATOM 694 N SER A 45 -14.551 -8.679 -0.823 1.00 61.55 N ATOM 695 CA SER A 45 -14.968 -9.388 -2.021 1.00 52.31 C ATOM 696 C SER A 45 -15.888 -10.535 -1.590 1.00 44.41 C ATOM 697 O SER A 45 -15.443 -11.680 -1.463 1.00 15.20 O ATOM 698 CB SER A 45 -13.737 -9.834 -2.821 1.00 32.30 C ATOM 699 OG SER A 45 -14.067 -10.681 -3.900 1.00 34.13 O ATOM 0 H SER A 45 -14.080 -9.289 -0.155 1.00 61.55 H new ATOM 0 HA SER A 45 -15.535 -8.749 -2.698 1.00 52.31 H new ATOM 0 HB2 SER A 45 -13.217 -8.954 -3.201 1.00 32.30 H new ATOM 0 HB3 SER A 45 -13.045 -10.351 -2.157 1.00 32.30 H new ATOM 0 HG SER A 45 -13.248 -11.062 -4.279 1.00 34.13 H new ATOM 705 N PRO A 46 -17.189 -10.261 -1.383 1.00 2.25 N ATOM 706 CA PRO A 46 -18.173 -11.321 -1.241 1.00 62.40 C ATOM 707 C PRO A 46 -18.294 -12.147 -2.530 1.00 72.10 C ATOM 708 O PRO A 46 -18.652 -13.326 -2.479 1.00 35.11 O ATOM 709 CB PRO A 46 -19.490 -10.617 -0.885 1.00 13.13 C ATOM 710 CG PRO A 46 -19.317 -9.199 -1.431 1.00 71.33 C ATOM 711 CD PRO A 46 -17.818 -8.950 -1.281 1.00 22.12 C ATOM 0 HA PRO A 46 -17.888 -12.034 -0.467 1.00 62.40 H new ATOM 0 HB2 PRO A 46 -20.345 -11.117 -1.340 1.00 13.13 H new ATOM 0 HB3 PRO A 46 -19.660 -10.611 0.192 1.00 13.13 H new ATOM 0 HG2 PRO A 46 -19.636 -9.126 -2.471 1.00 71.33 H new ATOM 0 HG3 PRO A 46 -19.904 -8.475 -0.866 1.00 71.33 H new ATOM 0 HD2 PRO A 46 -17.453 -8.279 -2.058 1.00 22.12 H new ATOM 0 HD3 PRO A 46 -17.593 -8.481 -0.323 1.00 22.12 H new ATOM 719 N LEU A 47 -18.016 -11.562 -3.700 1.00 55.20 N ATOM 720 CA LEU A 47 -18.303 -12.154 -4.999 1.00 11.12 C ATOM 721 C LEU A 47 -17.016 -12.239 -5.805 1.00 13.23 C ATOM 722 O LEU A 47 -16.576 -13.339 -6.126 1.00 61.35 O ATOM 723 CB LEU A 47 -19.449 -11.356 -5.661 1.00 24.35 C ATOM 724 CG LEU A 47 -19.463 -11.292 -7.199 1.00 62.22 C ATOM 725 CD1 LEU A 47 -19.280 -12.650 -7.898 1.00 23.34 C ATOM 726 CD2 LEU A 47 -20.780 -10.654 -7.652 1.00 64.20 C ATOM 0 H LEU A 47 -17.576 -10.644 -3.765 1.00 55.20 H new ATOM 0 HA LEU A 47 -18.660 -13.181 -4.921 1.00 11.12 H new ATOM 0 HB2 LEU A 47 -20.395 -11.787 -5.332 1.00 24.35 H new ATOM 0 HB3 LEU A 47 -19.414 -10.335 -5.280 1.00 24.35 H new ATOM 0 HG LEU A 47 -18.601 -10.693 -7.492 1.00 62.22 H new ATOM 0 HD11 LEU A 47 -19.303 -12.509 -8.979 1.00 23.34 H new ATOM 0 HD12 LEU A 47 -18.322 -13.082 -7.609 1.00 23.34 H new ATOM 0 HD13 LEU A 47 -20.085 -13.323 -7.603 1.00 23.34 H new ATOM 0 HD21 LEU A 47 -20.804 -10.602 -8.741 1.00 64.20 H new ATOM 0 HD22 LEU A 47 -21.617 -11.257 -7.299 1.00 64.20 H new ATOM 0 HD23 LEU A 47 -20.858 -9.648 -7.239 1.00 64.20 H new ATOM 738 N SER A 48 -16.440 -11.101 -6.171 1.00 24.32 N ATOM 739 CA SER A 48 -15.161 -11.002 -6.847 1.00 3.04 C ATOM 740 C SER A 48 -14.689 -9.550 -6.812 1.00 64.51 C ATOM 741 O SER A 48 -15.244 -8.723 -6.087 1.00 72.53 O ATOM 742 CB SER A 48 -15.220 -11.562 -8.264 1.00 2.43 C ATOM 743 OG SER A 48 -13.957 -12.123 -8.560 1.00 42.44 O ATOM 0 H SER A 48 -16.869 -10.192 -5.997 1.00 24.32 H new ATOM 0 HA SER A 48 -14.431 -11.617 -6.321 1.00 3.04 H new ATOM 0 HB2 SER A 48 -16.002 -12.317 -8.344 1.00 2.43 H new ATOM 0 HB3 SER A 48 -15.464 -10.774 -8.976 1.00 2.43 H new ATOM 0 HG SER A 48 -13.968 -12.493 -9.467 1.00 42.44 H new ATOM 749 N ASN A 49 -13.655 -9.240 -7.586 1.00 61.41 N ATOM 750 CA ASN A 49 -12.980 -7.956 -7.604 1.00 34.40 C ATOM 751 C ASN A 49 -13.069 -7.513 -9.057 1.00 3.42 C ATOM 752 O ASN A 49 -12.297 -8.001 -9.877 1.00 3.13 O ATOM 753 CB ASN A 49 -11.512 -8.090 -7.128 1.00 12.03 C ATOM 754 CG ASN A 49 -11.298 -8.835 -5.813 1.00 71.55 C ATOM 755 OD1 ASN A 49 -10.950 -8.247 -4.798 1.00 11.00 O ATOM 756 ND2 ASN A 49 -11.432 -10.151 -5.813 1.00 62.13 N ATOM 0 H ASN A 49 -13.251 -9.907 -8.244 1.00 61.41 H new ATOM 0 HA ASN A 49 -13.432 -7.231 -6.927 1.00 34.40 H new ATOM 0 HB2 ASN A 49 -10.944 -8.599 -7.907 1.00 12.03 H new ATOM 0 HB3 ASN A 49 -11.091 -7.090 -7.028 1.00 12.03 H new ATOM 0 HD21 ASN A 49 -11.245 -10.683 -4.963 1.00 62.13 H new ATOM 0 HD22 ASN A 49 -11.723 -10.634 -6.663 1.00 62.13 H new ATOM 763 N GLY A 50 -14.049 -6.680 -9.414 1.00 55.33 N ATOM 764 CA GLY A 50 -14.292 -6.295 -10.809 1.00 23.45 C ATOM 765 C GLY A 50 -14.257 -4.793 -11.052 1.00 11.14 C ATOM 766 O GLY A 50 -14.232 -4.360 -12.202 1.00 14.32 O ATOM 0 H GLY A 50 -14.695 -6.254 -8.749 1.00 55.33 H new ATOM 0 HA2 GLY A 50 -13.544 -6.773 -11.442 1.00 23.45 H new ATOM 0 HA3 GLY A 50 -15.264 -6.680 -11.117 1.00 23.45 H new ATOM 770 N VAL A 51 -14.310 -3.985 -9.994 1.00 31.53 N ATOM 771 CA VAL A 51 -14.276 -2.524 -10.054 1.00 52.44 C ATOM 772 C VAL A 51 -13.443 -2.022 -8.866 1.00 21.12 C ATOM 773 O VAL A 51 -13.991 -1.797 -7.783 1.00 73.41 O ATOM 774 CB VAL A 51 -15.700 -1.920 -10.110 1.00 62.42 C ATOM 775 CG1 VAL A 51 -15.634 -0.393 -10.259 1.00 54.41 C ATOM 776 CG2 VAL A 51 -16.505 -2.466 -11.303 1.00 44.03 C ATOM 0 H VAL A 51 -14.380 -4.341 -9.041 1.00 31.53 H new ATOM 0 HA VAL A 51 -13.801 -2.190 -10.977 1.00 52.44 H new ATOM 0 HB VAL A 51 -16.191 -2.198 -9.177 1.00 62.42 H new ATOM 0 HG11 VAL A 51 -16.645 0.013 -10.297 1.00 54.41 H new ATOM 0 HG12 VAL A 51 -15.103 0.033 -9.408 1.00 54.41 H new ATOM 0 HG13 VAL A 51 -15.107 -0.140 -11.179 1.00 54.41 H new ATOM 0 HG21 VAL A 51 -17.499 -2.018 -11.307 1.00 44.03 H new ATOM 0 HG22 VAL A 51 -15.992 -2.219 -12.232 1.00 44.03 H new ATOM 0 HG23 VAL A 51 -16.596 -3.549 -11.216 1.00 44.03 H new ATOM 786 N PRO A 52 -12.107 -1.947 -8.994 1.00 42.34 N ATOM 787 CA PRO A 52 -11.263 -1.418 -7.938 1.00 23.11 C ATOM 788 C PRO A 52 -11.405 0.100 -7.836 1.00 23.23 C ATOM 789 O PRO A 52 -11.686 0.802 -8.812 1.00 41.04 O ATOM 790 CB PRO A 52 -9.833 -1.835 -8.296 1.00 20.31 C ATOM 791 CG PRO A 52 -9.865 -1.924 -9.819 1.00 21.20 C ATOM 792 CD PRO A 52 -11.306 -2.325 -10.147 1.00 61.44 C ATOM 0 HA PRO A 52 -11.546 -1.808 -6.960 1.00 23.11 H new ATOM 0 HB2 PRO A 52 -9.102 -1.104 -7.951 1.00 20.31 H new ATOM 0 HB3 PRO A 52 -9.567 -2.790 -7.843 1.00 20.31 H new ATOM 0 HG2 PRO A 52 -9.604 -0.971 -10.278 1.00 21.20 H new ATOM 0 HG3 PRO A 52 -9.153 -2.662 -10.189 1.00 21.20 H new ATOM 0 HD2 PRO A 52 -11.656 -1.818 -11.046 1.00 61.44 H new ATOM 0 HD3 PRO A 52 -11.378 -3.396 -10.336 1.00 61.44 H new ATOM 800 N PHE A 53 -11.148 0.606 -6.635 1.00 41.30 N ATOM 801 CA PHE A 53 -10.973 2.015 -6.360 1.00 21.53 C ATOM 802 C PHE A 53 -9.711 2.455 -7.092 1.00 21.43 C ATOM 803 O PHE A 53 -8.655 1.846 -6.874 1.00 62.35 O ATOM 804 CB PHE A 53 -10.828 2.196 -4.841 1.00 42.11 C ATOM 805 CG PHE A 53 -10.905 3.618 -4.303 1.00 52.03 C ATOM 806 CD1 PHE A 53 -11.893 4.519 -4.751 1.00 23.41 C ATOM 807 CD2 PHE A 53 -10.054 4.007 -3.253 1.00 43.23 C ATOM 808 CE1 PHE A 53 -12.073 5.757 -4.112 1.00 55.44 C ATOM 809 CE2 PHE A 53 -10.236 5.241 -2.607 1.00 23.12 C ATOM 810 CZ PHE A 53 -11.264 6.107 -3.016 1.00 71.24 C ATOM 0 H PHE A 53 -11.054 0.022 -5.804 1.00 41.30 H new ATOM 0 HA PHE A 53 -11.819 2.614 -6.696 1.00 21.53 H new ATOM 0 HB2 PHE A 53 -11.606 1.607 -4.354 1.00 42.11 H new ATOM 0 HB3 PHE A 53 -9.871 1.771 -4.539 1.00 42.11 H new ATOM 0 HD1 PHE A 53 -12.516 4.255 -5.592 1.00 23.41 H new ATOM 0 HD2 PHE A 53 -9.254 3.352 -2.941 1.00 43.23 H new ATOM 0 HE1 PHE A 53 -12.833 6.440 -4.462 1.00 55.44 H new ATOM 0 HE2 PHE A 53 -9.584 5.525 -1.794 1.00 23.12 H new ATOM 0 HZ PHE A 53 -11.432 7.036 -2.492 1.00 71.24 H new ATOM 820 N ARG A 54 -9.797 3.483 -7.945 1.00 24.15 N ATOM 821 CA ARG A 54 -8.648 4.042 -8.644 1.00 20.11 C ATOM 822 C ARG A 54 -8.424 5.475 -8.191 1.00 42.42 C ATOM 823 O ARG A 54 -9.202 6.358 -8.559 1.00 31.43 O ATOM 824 CB ARG A 54 -8.811 3.911 -10.161 1.00 41.42 C ATOM 825 CG ARG A 54 -9.213 2.475 -10.530 1.00 40.20 C ATOM 826 CD ARG A 54 -9.123 2.182 -12.021 1.00 52.02 C ATOM 827 NE ARG A 54 -9.877 3.137 -12.860 1.00 20.15 N ATOM 828 CZ ARG A 54 -11.206 3.289 -12.891 1.00 32.13 C ATOM 829 NH1 ARG A 54 -12.008 2.460 -12.228 1.00 55.32 N ATOM 830 NH2 ARG A 54 -11.740 4.300 -13.566 1.00 1.41 N ATOM 0 H ARG A 54 -10.676 3.950 -8.167 1.00 24.15 H new ATOM 0 HA ARG A 54 -7.753 3.475 -8.390 1.00 20.11 H new ATOM 0 HB2 ARG A 54 -9.569 4.611 -10.514 1.00 41.42 H new ATOM 0 HB3 ARG A 54 -7.877 4.174 -10.658 1.00 41.42 H new ATOM 0 HG2 ARG A 54 -8.572 1.777 -9.992 1.00 40.20 H new ATOM 0 HG3 ARG A 54 -10.234 2.294 -10.194 1.00 40.20 H new ATOM 0 HD2 ARG A 54 -8.076 2.195 -12.322 1.00 52.02 H new ATOM 0 HD3 ARG A 54 -9.496 1.175 -12.208 1.00 52.02 H new ATOM 0 HE ARG A 54 -9.331 3.739 -13.476 1.00 20.15 H new ATOM 0 HH11 ARG A 54 -11.612 1.693 -11.684 1.00 55.32 H new ATOM 0 HH12 ARG A 54 -13.019 2.591 -12.263 1.00 55.32 H new ATOM 0 HH21 ARG A 54 -11.137 4.959 -14.059 1.00 1.41 H new ATOM 0 HH22 ARG A 54 -12.753 4.418 -13.591 1.00 1.41 H new ATOM 844 N GLY A 55 -7.399 5.666 -7.373 1.00 12.33 N ATOM 845 CA GLY A 55 -6.992 6.896 -6.711 1.00 43.00 C ATOM 846 C GLY A 55 -5.533 7.171 -7.008 1.00 13.23 C ATOM 847 O GLY A 55 -4.948 6.516 -7.857 1.00 3.20 O ATOM 0 H GLY A 55 -6.776 4.895 -7.135 1.00 12.33 H new ATOM 0 HA2 GLY A 55 -7.607 7.727 -7.055 1.00 43.00 H new ATOM 0 HA3 GLY A 55 -7.145 6.810 -5.635 1.00 43.00 H new ATOM 851 N THR A 56 -4.920 8.103 -6.297 1.00 63.13 N ATOM 852 CA THR A 56 -3.685 8.773 -6.690 1.00 21.51 C ATOM 853 C THR A 56 -2.669 8.605 -5.548 1.00 1.23 C ATOM 854 O THR A 56 -3.039 8.706 -4.379 1.00 42.15 O ATOM 855 CB THR A 56 -4.009 10.253 -7.026 1.00 11.11 C ATOM 856 OG1 THR A 56 -5.369 10.615 -6.791 1.00 72.30 O ATOM 857 CG2 THR A 56 -3.684 10.603 -8.479 1.00 11.42 C ATOM 0 H THR A 56 -5.279 8.427 -5.399 1.00 63.13 H new ATOM 0 HA THR A 56 -3.241 8.339 -7.586 1.00 21.51 H new ATOM 0 HB THR A 56 -3.372 10.817 -6.345 1.00 11.11 H new ATOM 0 HG1 THR A 56 -5.501 11.558 -7.022 1.00 72.30 H new ATOM 0 HG21 THR A 56 -3.928 11.649 -8.665 1.00 11.42 H new ATOM 0 HG22 THR A 56 -2.622 10.440 -8.664 1.00 11.42 H new ATOM 0 HG23 THR A 56 -4.270 9.970 -9.146 1.00 11.42 H new ATOM 865 N TYR A 57 -1.400 8.329 -5.844 1.00 23.23 N ATOM 866 CA TYR A 57 -0.320 8.090 -4.886 1.00 15.02 C ATOM 867 C TYR A 57 0.815 9.095 -5.130 1.00 0.01 C ATOM 868 O TYR A 57 0.870 9.739 -6.175 1.00 35.23 O ATOM 869 CB TYR A 57 0.137 6.619 -4.967 1.00 14.13 C ATOM 870 CG TYR A 57 1.284 6.326 -5.905 1.00 1.33 C ATOM 871 CD1 TYR A 57 1.094 6.356 -7.295 1.00 13.21 C ATOM 872 CD2 TYR A 57 2.539 5.970 -5.378 1.00 33.40 C ATOM 873 CE1 TYR A 57 2.160 6.060 -8.154 1.00 3.34 C ATOM 874 CE2 TYR A 57 3.612 5.698 -6.239 1.00 41.45 C ATOM 875 CZ TYR A 57 3.446 5.803 -7.631 1.00 51.31 C ATOM 876 OH TYR A 57 4.533 5.732 -8.440 1.00 4.03 O ATOM 0 H TYR A 57 -1.080 8.262 -6.810 1.00 23.23 H new ATOM 0 HA TYR A 57 -0.670 8.250 -3.866 1.00 15.02 H new ATOM 0 HB2 TYR A 57 0.421 6.293 -3.966 1.00 14.13 H new ATOM 0 HB3 TYR A 57 -0.716 6.012 -5.269 1.00 14.13 H new ATOM 0 HD1 TYR A 57 0.126 6.607 -7.702 1.00 13.21 H new ATOM 0 HD2 TYR A 57 2.676 5.906 -4.309 1.00 33.40 H new ATOM 0 HE1 TYR A 57 1.998 6.028 -9.221 1.00 3.34 H new ATOM 0 HE2 TYR A 57 4.569 5.407 -5.831 1.00 41.45 H new ATOM 0 HH TYR A 57 5.331 5.549 -7.901 1.00 4.03 H new ATOM 886 N ILE A 58 1.718 9.271 -4.166 1.00 14.31 N ATOM 887 CA ILE A 58 2.838 10.225 -4.243 1.00 72.54 C ATOM 888 C ILE A 58 4.042 9.581 -3.547 1.00 32.14 C ATOM 889 O ILE A 58 3.834 8.871 -2.564 1.00 55.35 O ATOM 890 CB ILE A 58 2.460 11.580 -3.575 1.00 75.11 C ATOM 891 CG1 ILE A 58 1.128 12.148 -4.117 1.00 0.44 C ATOM 892 CG2 ILE A 58 3.571 12.624 -3.764 1.00 13.21 C ATOM 893 CD1 ILE A 58 0.786 13.591 -3.717 1.00 43.21 C ATOM 0 H ILE A 58 1.696 8.748 -3.291 1.00 14.31 H new ATOM 0 HA ILE A 58 3.080 10.445 -5.283 1.00 72.54 H new ATOM 0 HB ILE A 58 2.337 11.372 -2.512 1.00 75.11 H new ATOM 0 HG12 ILE A 58 1.151 12.092 -5.205 1.00 0.44 H new ATOM 0 HG13 ILE A 58 0.319 11.500 -3.781 1.00 0.44 H new ATOM 0 HG21 ILE A 58 3.277 13.559 -3.287 1.00 13.21 H new ATOM 0 HG22 ILE A 58 4.493 12.260 -3.311 1.00 13.21 H new ATOM 0 HG23 ILE A 58 3.732 12.795 -4.828 1.00 13.21 H new ATOM 0 HD11 ILE A 58 -0.170 13.874 -4.158 1.00 43.21 H new ATOM 0 HD12 ILE A 58 0.720 13.662 -2.631 1.00 43.21 H new ATOM 0 HD13 ILE A 58 1.565 14.263 -4.078 1.00 43.21 H new ATOM 905 N ILE A 59 5.269 9.850 -4.014 1.00 72.12 N ATOM 906 CA ILE A 59 6.546 9.402 -3.454 1.00 35.30 C ATOM 907 C ILE A 59 7.532 10.583 -3.489 1.00 62.53 C ATOM 908 O ILE A 59 8.313 10.731 -4.434 1.00 3.03 O ATOM 909 CB ILE A 59 7.102 8.176 -4.232 1.00 52.23 C ATOM 910 CG1 ILE A 59 6.088 7.039 -4.415 1.00 42.05 C ATOM 911 CG2 ILE A 59 8.394 7.628 -3.592 1.00 61.32 C ATOM 912 CD1 ILE A 59 5.715 6.305 -3.131 1.00 71.23 C ATOM 0 H ILE A 59 5.402 10.424 -4.847 1.00 72.12 H new ATOM 0 HA ILE A 59 6.402 9.078 -2.423 1.00 35.30 H new ATOM 0 HB ILE A 59 7.328 8.561 -5.227 1.00 52.23 H new ATOM 0 HG12 ILE A 59 5.181 7.448 -4.860 1.00 42.05 H new ATOM 0 HG13 ILE A 59 6.495 6.318 -5.124 1.00 42.05 H new ATOM 0 HG21 ILE A 59 8.750 6.772 -4.166 1.00 61.32 H new ATOM 0 HG22 ILE A 59 9.157 8.406 -3.590 1.00 61.32 H new ATOM 0 HG23 ILE A 59 8.189 7.318 -2.567 1.00 61.32 H new ATOM 0 HD11 ILE A 59 4.994 5.519 -3.357 1.00 71.23 H new ATOM 0 HD12 ILE A 59 6.609 5.862 -2.692 1.00 71.23 H new ATOM 0 HD13 ILE A 59 5.275 7.009 -2.424 1.00 71.23 H new ATOM 924 N SER A 60 7.510 11.436 -2.464 1.00 43.05 N ATOM 925 CA SER A 60 8.538 12.464 -2.304 1.00 61.45 C ATOM 926 C SER A 60 9.860 11.798 -1.888 1.00 24.11 C ATOM 927 O SER A 60 9.871 10.681 -1.355 1.00 60.24 O ATOM 928 CB SER A 60 8.072 13.494 -1.265 1.00 61.35 C ATOM 929 OG SER A 60 8.204 14.808 -1.751 1.00 14.22 O ATOM 0 H SER A 60 6.796 11.436 -1.736 1.00 43.05 H new ATOM 0 HA SER A 60 8.703 12.987 -3.246 1.00 61.45 H new ATOM 0 HB2 SER A 60 7.031 13.304 -1.003 1.00 61.35 H new ATOM 0 HB3 SER A 60 8.656 13.382 -0.352 1.00 61.35 H new ATOM 0 HG SER A 60 8.770 15.327 -1.142 1.00 14.22 H new ATOM 935 N LEU A 61 10.986 12.481 -2.097 1.00 60.32 N ATOM 936 CA LEU A 61 12.299 12.052 -1.627 1.00 2.14 C ATOM 937 C LEU A 61 12.491 12.377 -0.142 1.00 40.15 C ATOM 938 O LEU A 61 13.293 11.697 0.490 1.00 54.23 O ATOM 939 CB LEU A 61 13.418 12.736 -2.439 1.00 11.12 C ATOM 940 CG LEU A 61 13.810 12.008 -3.741 1.00 12.22 C ATOM 941 CD1 LEU A 61 12.857 12.334 -4.894 1.00 43.24 C ATOM 942 CD2 LEU A 61 15.234 12.393 -4.166 1.00 42.02 C ATOM 0 H LEU A 61 11.009 13.364 -2.607 1.00 60.32 H new ATOM 0 HA LEU A 61 12.355 10.972 -1.764 1.00 2.14 H new ATOM 0 HB2 LEU A 61 13.100 13.749 -2.687 1.00 11.12 H new ATOM 0 HB3 LEU A 61 14.303 12.825 -1.809 1.00 11.12 H new ATOM 0 HG LEU A 61 13.752 10.940 -3.529 1.00 12.22 H new ATOM 0 HD11 LEU A 61 13.173 11.799 -5.789 1.00 43.24 H new ATOM 0 HD12 LEU A 61 11.845 12.029 -4.627 1.00 43.24 H new ATOM 0 HD13 LEU A 61 12.874 13.407 -5.088 1.00 43.24 H new ATOM 0 HD21 LEU A 61 15.493 11.870 -5.086 1.00 42.02 H new ATOM 0 HD22 LEU A 61 15.285 13.469 -4.334 1.00 42.02 H new ATOM 0 HD23 LEU A 61 15.936 12.114 -3.380 1.00 42.02 H new ATOM 954 N ASP A 62 11.789 13.387 0.401 1.00 11.00 N ATOM 955 CA ASP A 62 12.059 13.998 1.717 1.00 14.30 C ATOM 956 C ASP A 62 12.317 12.975 2.814 1.00 62.35 C ATOM 957 O ASP A 62 13.306 13.074 3.534 1.00 63.45 O ATOM 958 CB ASP A 62 10.895 14.877 2.203 1.00 3.31 C ATOM 959 CG ASP A 62 10.781 16.203 1.485 1.00 74.22 C ATOM 960 OD1 ASP A 62 11.379 17.206 1.928 1.00 23.23 O ATOM 961 OD2 ASP A 62 10.059 16.264 0.471 1.00 13.42 O ATOM 0 H ASP A 62 10.995 13.814 -0.076 1.00 11.00 H new ATOM 0 HA ASP A 62 12.955 14.596 1.548 1.00 14.30 H new ATOM 0 HB2 ASP A 62 9.962 14.327 2.078 1.00 3.31 H new ATOM 0 HB3 ASP A 62 11.015 15.063 3.270 1.00 3.31 H new ATOM 966 N GLU A 63 11.407 12.014 2.971 1.00 4.24 N ATOM 967 CA GLU A 63 11.485 10.986 3.994 1.00 55.21 C ATOM 968 C GLU A 63 10.870 9.653 3.530 1.00 20.12 C ATOM 969 O GLU A 63 10.705 8.732 4.331 1.00 53.33 O ATOM 970 CB GLU A 63 10.922 11.526 5.323 1.00 20.43 C ATOM 971 CG GLU A 63 9.418 11.822 5.384 1.00 43.03 C ATOM 972 CD GLU A 63 8.942 13.083 4.658 1.00 14.00 C ATOM 973 OE1 GLU A 63 9.326 14.219 4.991 1.00 41.03 O ATOM 974 OE2 GLU A 63 8.065 12.956 3.770 1.00 0.33 O ATOM 0 H GLU A 63 10.582 11.932 2.377 1.00 4.24 H new ATOM 0 HA GLU A 63 12.531 10.740 4.177 1.00 55.21 H new ATOM 0 HB2 GLU A 63 11.155 10.804 6.106 1.00 20.43 H new ATOM 0 HB3 GLU A 63 11.456 12.444 5.567 1.00 20.43 H new ATOM 0 HG2 GLU A 63 8.885 10.967 4.969 1.00 43.03 H new ATOM 0 HG3 GLU A 63 9.128 11.901 6.432 1.00 43.03 H new ATOM 981 N LYS A 64 10.612 9.513 2.222 1.00 12.14 N ATOM 982 CA LYS A 64 9.905 8.406 1.569 1.00 40.13 C ATOM 983 C LYS A 64 8.531 8.160 2.212 1.00 1.02 C ATOM 984 O LYS A 64 8.198 7.051 2.638 1.00 54.05 O ATOM 985 CB LYS A 64 10.758 7.122 1.438 1.00 35.13 C ATOM 986 CG LYS A 64 12.276 7.280 1.208 1.00 15.04 C ATOM 987 CD LYS A 64 13.050 7.433 2.535 1.00 61.44 C ATOM 988 CE LYS A 64 14.247 6.485 2.635 1.00 23.12 C ATOM 989 NZ LYS A 64 14.678 6.308 4.041 1.00 61.53 N ATOM 0 H LYS A 64 10.912 10.218 1.549 1.00 12.14 H new ATOM 0 HA LYS A 64 9.721 8.717 0.541 1.00 40.13 H new ATOM 0 HB2 LYS A 64 10.617 6.534 2.345 1.00 35.13 H new ATOM 0 HB3 LYS A 64 10.355 6.536 0.612 1.00 35.13 H new ATOM 0 HG2 LYS A 64 12.653 6.412 0.667 1.00 15.04 H new ATOM 0 HG3 LYS A 64 12.459 8.152 0.579 1.00 15.04 H new ATOM 0 HD2 LYS A 64 13.398 8.462 2.631 1.00 61.44 H new ATOM 0 HD3 LYS A 64 12.373 7.246 3.369 1.00 61.44 H new ATOM 0 HE2 LYS A 64 13.983 5.517 2.209 1.00 23.12 H new ATOM 0 HE3 LYS A 64 15.075 6.878 2.045 1.00 23.12 H new ATOM 0 HZ1 LYS A 64 15.491 5.660 4.076 1.00 61.53 H new ATOM 0 HZ2 LYS A 64 14.952 7.229 4.439 1.00 61.53 H new ATOM 0 HZ3 LYS A 64 13.894 5.910 4.597 1.00 61.53 H new ATOM 1003 N LEU A 65 7.712 9.203 2.275 1.00 34.13 N ATOM 1004 CA LEU A 65 6.343 9.139 2.769 1.00 63.13 C ATOM 1005 C LEU A 65 5.436 8.917 1.556 1.00 21.32 C ATOM 1006 O LEU A 65 5.527 9.691 0.598 1.00 71.21 O ATOM 1007 CB LEU A 65 6.069 10.462 3.506 1.00 3.30 C ATOM 1008 CG LEU A 65 4.841 10.530 4.419 1.00 4.30 C ATOM 1009 CD1 LEU A 65 3.547 10.421 3.639 1.00 51.24 C ATOM 1010 CD2 LEU A 65 4.865 9.497 5.545 1.00 4.14 C ATOM 0 H LEU A 65 7.988 10.138 1.977 1.00 34.13 H new ATOM 0 HA LEU A 65 6.161 8.324 3.470 1.00 63.13 H new ATOM 0 HB2 LEU A 65 6.947 10.698 4.107 1.00 3.30 H new ATOM 0 HB3 LEU A 65 5.974 11.249 2.758 1.00 3.30 H new ATOM 0 HG LEU A 65 4.887 11.515 4.884 1.00 4.30 H new ATOM 0 HD11 LEU A 65 2.702 10.474 4.326 1.00 51.24 H new ATOM 0 HD12 LEU A 65 3.484 11.240 2.923 1.00 51.24 H new ATOM 0 HD13 LEU A 65 3.522 9.470 3.106 1.00 51.24 H new ATOM 0 HD21 LEU A 65 3.966 9.601 6.153 1.00 4.14 H new ATOM 0 HD22 LEU A 65 4.901 8.495 5.118 1.00 4.14 H new ATOM 0 HD23 LEU A 65 5.745 9.658 6.168 1.00 4.14 H new ATOM 1022 N ILE A 66 4.591 7.877 1.571 1.00 13.44 N ATOM 1023 CA ILE A 66 3.535 7.689 0.575 1.00 15.42 C ATOM 1024 C ILE A 66 2.211 8.129 1.196 1.00 62.45 C ATOM 1025 O ILE A 66 1.877 7.746 2.320 1.00 20.11 O ATOM 1026 CB ILE A 66 3.481 6.245 0.000 1.00 42.32 C ATOM 1027 CG1 ILE A 66 2.233 6.084 -0.910 1.00 41.45 C ATOM 1028 CG2 ILE A 66 3.522 5.151 1.078 1.00 34.50 C ATOM 1029 CD1 ILE A 66 2.112 4.767 -1.683 1.00 35.41 C ATOM 0 H ILE A 66 4.623 7.142 2.278 1.00 13.44 H new ATOM 0 HA ILE A 66 3.753 8.309 -0.294 1.00 15.42 H new ATOM 0 HB ILE A 66 4.386 6.108 -0.592 1.00 42.32 H new ATOM 0 HG12 ILE A 66 1.343 6.198 -0.291 1.00 41.45 H new ATOM 0 HG13 ILE A 66 2.228 6.903 -1.629 1.00 41.45 H new ATOM 0 HG21 ILE A 66 3.481 4.171 0.603 1.00 34.50 H new ATOM 0 HG22 ILE A 66 4.446 5.239 1.650 1.00 34.50 H new ATOM 0 HG23 ILE A 66 2.669 5.267 1.746 1.00 34.50 H new ATOM 0 HD11 ILE A 66 1.200 4.778 -2.280 1.00 35.41 H new ATOM 0 HD12 ILE A 66 2.974 4.650 -2.339 1.00 35.41 H new ATOM 0 HD13 ILE A 66 2.075 3.935 -0.980 1.00 35.41 H new ATOM 1041 N LYS A 67 1.406 8.877 0.441 1.00 34.44 N ATOM 1042 CA LYS A 67 0.010 9.142 0.777 1.00 51.11 C ATOM 1043 C LYS A 67 -0.839 8.641 -0.379 1.00 40.42 C ATOM 1044 O LYS A 67 -0.475 8.876 -1.536 1.00 31.14 O ATOM 1045 CB LYS A 67 -0.221 10.633 1.063 1.00 22.40 C ATOM 1046 CG LYS A 67 0.708 11.197 2.144 1.00 20.22 C ATOM 1047 CD LYS A 67 0.062 12.238 3.070 1.00 73.21 C ATOM 1048 CE LYS A 67 0.040 13.666 2.523 1.00 23.33 C ATOM 1049 NZ LYS A 67 -0.696 14.579 3.425 1.00 72.44 N ATOM 0 H LYS A 67 1.708 9.319 -0.427 1.00 34.44 H new ATOM 0 HA LYS A 67 -0.271 8.620 1.692 1.00 51.11 H new ATOM 0 HB2 LYS A 67 -0.079 11.198 0.142 1.00 22.40 H new ATOM 0 HB3 LYS A 67 -1.256 10.780 1.371 1.00 22.40 H new ATOM 0 HG2 LYS A 67 1.079 10.371 2.752 1.00 20.22 H new ATOM 0 HG3 LYS A 67 1.573 11.650 1.660 1.00 20.22 H new ATOM 0 HD2 LYS A 67 -0.962 11.930 3.279 1.00 73.21 H new ATOM 0 HD3 LYS A 67 0.596 12.237 4.020 1.00 73.21 H new ATOM 0 HE2 LYS A 67 1.062 14.024 2.395 1.00 23.33 H new ATOM 0 HE3 LYS A 67 -0.426 13.672 1.537 1.00 23.33 H new ATOM 0 HZ1 LYS A 67 -0.357 15.552 3.285 1.00 72.44 H new ATOM 0 HZ2 LYS A 67 -1.713 14.532 3.212 1.00 72.44 H new ATOM 0 HZ3 LYS A 67 -0.536 14.295 4.413 1.00 72.44 H new ATOM 1063 N LEU A 68 -1.934 7.946 -0.078 1.00 52.32 N ATOM 1064 CA LEU A 68 -2.929 7.525 -1.047 1.00 64.41 C ATOM 1065 C LEU A 68 -4.098 8.476 -0.910 1.00 41.02 C ATOM 1066 O LEU A 68 -4.676 8.620 0.166 1.00 22.33 O ATOM 1067 CB LEU A 68 -3.430 6.110 -0.733 1.00 31.53 C ATOM 1068 CG LEU A 68 -2.578 4.940 -1.221 1.00 3.13 C ATOM 1069 CD1 LEU A 68 -1.858 5.176 -2.557 1.00 55.32 C ATOM 1070 CD2 LEU A 68 -1.538 4.578 -0.178 1.00 23.50 C ATOM 0 H LEU A 68 -2.154 7.655 0.874 1.00 52.32 H new ATOM 0 HA LEU A 68 -2.499 7.529 -2.049 1.00 64.41 H new ATOM 0 HB2 LEU A 68 -3.536 6.022 0.348 1.00 31.53 H new ATOM 0 HB3 LEU A 68 -4.427 6.003 -1.161 1.00 31.53 H new ATOM 0 HG LEU A 68 -3.288 4.129 -1.384 1.00 3.13 H new ATOM 0 HD11 LEU A 68 -1.279 4.290 -2.820 1.00 55.32 H new ATOM 0 HD12 LEU A 68 -2.594 5.373 -3.337 1.00 55.32 H new ATOM 0 HD13 LEU A 68 -1.189 6.032 -2.464 1.00 55.32 H new ATOM 0 HD21 LEU A 68 -0.937 3.743 -0.538 1.00 23.50 H new ATOM 0 HD22 LEU A 68 -0.892 5.437 0.005 1.00 23.50 H new ATOM 0 HD23 LEU A 68 -2.036 4.294 0.749 1.00 23.50 H new ATOM 1082 N TYR A 69 -4.416 9.131 -2.012 1.00 2.14 N ATOM 1083 CA TYR A 69 -5.493 10.079 -2.151 1.00 52.21 C ATOM 1084 C TYR A 69 -6.697 9.391 -2.787 1.00 14.34 C ATOM 1085 O TYR A 69 -6.623 8.269 -3.294 1.00 41.00 O ATOM 1086 CB TYR A 69 -4.994 11.250 -3.002 1.00 73.33 C ATOM 1087 CG TYR A 69 -3.920 12.097 -2.345 1.00 23.11 C ATOM 1088 CD1 TYR A 69 -2.591 11.646 -2.213 1.00 21.12 C ATOM 1089 CD2 TYR A 69 -4.262 13.371 -1.873 1.00 61.43 C ATOM 1090 CE1 TYR A 69 -1.611 12.490 -1.662 1.00 52.44 C ATOM 1091 CE2 TYR A 69 -3.304 14.203 -1.278 1.00 14.43 C ATOM 1092 CZ TYR A 69 -1.961 13.772 -1.178 1.00 54.33 C ATOM 1093 OH TYR A 69 -1.030 14.571 -0.586 1.00 41.04 O ATOM 0 H TYR A 69 -3.896 9.004 -2.880 1.00 2.14 H new ATOM 0 HA TYR A 69 -5.808 10.460 -1.180 1.00 52.21 H new ATOM 0 HB2 TYR A 69 -4.605 10.859 -3.942 1.00 73.33 H new ATOM 0 HB3 TYR A 69 -5.842 11.889 -3.249 1.00 73.33 H new ATOM 0 HD1 TYR A 69 -2.325 10.650 -2.536 1.00 21.12 H new ATOM 0 HD2 TYR A 69 -5.280 13.718 -1.969 1.00 61.43 H new ATOM 0 HE1 TYR A 69 -0.585 12.157 -1.608 1.00 52.44 H new ATOM 0 HE2 TYR A 69 -3.591 15.172 -0.896 1.00 14.43 H new ATOM 0 HH TYR A 69 -1.448 15.415 -0.316 1.00 41.04 H new ATOM 1103 N ASP A 70 -7.820 10.088 -2.755 1.00 74.10 N ATOM 1104 CA ASP A 70 -9.144 9.604 -3.129 1.00 71.30 C ATOM 1105 C ASP A 70 -9.853 10.645 -3.995 1.00 11.35 C ATOM 1106 O ASP A 70 -9.250 11.630 -4.420 1.00 13.34 O ATOM 1107 CB ASP A 70 -9.941 9.321 -1.844 1.00 32.43 C ATOM 1108 CG ASP A 70 -9.812 10.470 -0.845 1.00 71.43 C ATOM 1109 OD1 ASP A 70 -10.126 11.611 -1.240 1.00 34.13 O ATOM 1110 OD2 ASP A 70 -9.305 10.206 0.265 1.00 75.43 O ATOM 0 H ASP A 70 -7.836 11.061 -2.451 1.00 74.10 H new ATOM 0 HA ASP A 70 -9.062 8.686 -3.711 1.00 71.30 H new ATOM 0 HB2 ASP A 70 -10.991 9.168 -2.092 1.00 32.43 H new ATOM 0 HB3 ASP A 70 -9.583 8.398 -1.388 1.00 32.43 H new ATOM 1115 N LYS A 71 -11.140 10.408 -4.267 1.00 24.34 N ATOM 1116 CA LYS A 71 -12.001 11.278 -5.075 1.00 24.54 C ATOM 1117 C LYS A 71 -12.224 12.670 -4.471 1.00 74.13 C ATOM 1118 O LYS A 71 -12.700 13.569 -5.168 1.00 24.33 O ATOM 1119 CB LYS A 71 -13.351 10.597 -5.356 1.00 12.13 C ATOM 1120 CG LYS A 71 -14.290 10.436 -4.140 1.00 23.14 C ATOM 1121 CD LYS A 71 -14.333 8.996 -3.624 1.00 75.43 C ATOM 1122 CE LYS A 71 -15.405 8.836 -2.536 1.00 44.34 C ATOM 1123 NZ LYS A 71 -15.048 9.493 -1.260 1.00 64.20 N ATOM 0 H LYS A 71 -11.626 9.581 -3.921 1.00 24.34 H new ATOM 0 HA LYS A 71 -11.465 11.436 -6.011 1.00 24.54 H new ATOM 0 HB2 LYS A 71 -13.874 11.171 -6.121 1.00 12.13 H new ATOM 0 HB3 LYS A 71 -13.158 9.609 -5.775 1.00 12.13 H new ATOM 0 HG2 LYS A 71 -13.959 11.097 -3.339 1.00 23.14 H new ATOM 0 HG3 LYS A 71 -15.296 10.750 -4.417 1.00 23.14 H new ATOM 0 HD2 LYS A 71 -14.542 8.316 -4.449 1.00 75.43 H new ATOM 0 HD3 LYS A 71 -13.358 8.720 -3.223 1.00 75.43 H new ATOM 0 HE2 LYS A 71 -16.346 9.250 -2.899 1.00 44.34 H new ATOM 0 HE3 LYS A 71 -15.573 7.774 -2.355 1.00 44.34 H new ATOM 0 HZ1 LYS A 71 -15.440 8.946 -0.467 1.00 64.20 H new ATOM 0 HZ2 LYS A 71 -14.013 9.539 -1.171 1.00 64.20 H new ATOM 0 HZ3 LYS A 71 -15.440 10.456 -1.244 1.00 64.20 H new ATOM 1137 N GLU A 72 -11.946 12.825 -3.180 1.00 40.02 N ATOM 1138 CA GLU A 72 -12.051 14.057 -2.414 1.00 54.43 C ATOM 1139 C GLU A 72 -10.655 14.699 -2.266 1.00 61.43 C ATOM 1140 O GLU A 72 -10.503 15.755 -1.643 1.00 61.54 O ATOM 1141 CB GLU A 72 -12.705 13.685 -1.071 1.00 4.41 C ATOM 1142 CG GLU A 72 -14.232 13.814 -1.100 1.00 63.54 C ATOM 1143 CD GLU A 72 -14.863 13.321 0.201 1.00 34.31 C ATOM 1144 OE1 GLU A 72 -14.708 13.963 1.267 1.00 64.40 O ATOM 1145 OE2 GLU A 72 -15.566 12.279 0.172 1.00 4.42 O ATOM 0 H GLU A 72 -11.622 12.045 -2.609 1.00 40.02 H new ATOM 0 HA GLU A 72 -12.667 14.809 -2.907 1.00 54.43 H new ATOM 0 HB2 GLU A 72 -12.436 12.661 -0.812 1.00 4.41 H new ATOM 0 HB3 GLU A 72 -12.305 14.328 -0.287 1.00 4.41 H new ATOM 0 HG2 GLU A 72 -14.507 14.856 -1.266 1.00 63.54 H new ATOM 0 HG3 GLU A 72 -14.630 13.242 -1.938 1.00 63.54 H new ATOM 1152 N GLU A 73 -9.645 14.066 -2.876 1.00 12.01 N ATOM 1153 CA GLU A 73 -8.235 14.397 -2.914 1.00 63.44 C ATOM 1154 C GLU A 73 -7.664 14.644 -1.513 1.00 32.24 C ATOM 1155 O GLU A 73 -6.731 15.433 -1.380 1.00 21.43 O ATOM 1156 CB GLU A 73 -7.945 15.504 -3.957 1.00 73.14 C ATOM 1157 CG GLU A 73 -8.524 15.192 -5.359 1.00 43.44 C ATOM 1158 CD GLU A 73 -7.526 15.396 -6.511 1.00 53.33 C ATOM 1159 OE1 GLU A 73 -7.210 16.550 -6.876 1.00 12.03 O ATOM 1160 OE2 GLU A 73 -7.022 14.383 -7.060 1.00 74.33 O ATOM 0 H GLU A 73 -9.828 13.217 -3.411 1.00 12.01 H new ATOM 0 HA GLU A 73 -7.681 13.529 -3.271 1.00 63.44 H new ATOM 0 HB2 GLU A 73 -8.361 16.447 -3.601 1.00 73.14 H new ATOM 0 HB3 GLU A 73 -6.867 15.642 -4.039 1.00 73.14 H new ATOM 0 HG2 GLU A 73 -8.874 14.160 -5.374 1.00 43.44 H new ATOM 0 HG3 GLU A 73 -9.394 15.826 -5.530 1.00 43.44 H new ATOM 1167 N HIS A 74 -8.151 13.937 -0.477 1.00 34.22 N ATOM 1168 CA HIS A 74 -7.858 14.314 0.909 1.00 33.41 C ATOM 1169 C HIS A 74 -6.865 13.432 1.669 1.00 35.12 C ATOM 1170 O HIS A 74 -6.752 13.555 2.888 1.00 2.22 O ATOM 1171 CB HIS A 74 -9.149 14.575 1.696 1.00 11.34 C ATOM 1172 CG HIS A 74 -10.023 13.393 2.061 1.00 60.51 C ATOM 1173 ND1 HIS A 74 -11.387 13.355 1.895 1.00 75.33 N ATOM 1174 CD2 HIS A 74 -9.666 12.245 2.726 1.00 43.01 C ATOM 1175 CE1 HIS A 74 -11.837 12.195 2.392 1.00 63.51 C ATOM 1176 NE2 HIS A 74 -10.833 11.506 2.958 1.00 23.52 N ATOM 0 H HIS A 74 -8.742 13.112 -0.576 1.00 34.22 H new ATOM 0 HA HIS A 74 -7.305 15.249 0.819 1.00 33.41 H new ATOM 0 HB2 HIS A 74 -8.877 15.084 2.620 1.00 11.34 H new ATOM 0 HB3 HIS A 74 -9.756 15.270 1.116 1.00 11.34 H new ATOM 0 HD2 HIS A 74 -8.665 11.963 3.018 1.00 43.01 H new ATOM 0 HE1 HIS A 74 -12.863 11.861 2.344 1.00 63.51 H new ATOM 0 HE2 HIS A 74 -10.906 10.620 3.458 1.00 23.52 H new ATOM 1184 N CYS A 75 -6.126 12.575 0.968 1.00 22.41 N ATOM 1185 CA CYS A 75 -5.151 11.631 1.528 1.00 41.32 C ATOM 1186 C CYS A 75 -5.674 10.897 2.777 1.00 75.22 C ATOM 1187 O CYS A 75 -5.273 11.188 3.904 1.00 22.52 O ATOM 1188 CB CYS A 75 -3.730 12.214 1.664 1.00 24.21 C ATOM 1189 SG CYS A 75 -3.645 13.950 2.202 1.00 2.33 S ATOM 0 H CYS A 75 -6.190 12.514 -0.048 1.00 22.41 H new ATOM 0 HA CYS A 75 -5.033 10.846 0.781 1.00 41.32 H new ATOM 0 HB2 CYS A 75 -3.172 11.604 2.374 1.00 24.21 H new ATOM 0 HB3 CYS A 75 -3.226 12.125 0.702 1.00 24.21 H new ATOM 0 HG CYS A 75 -3.488 14.718 1.165 1.00 2.33 H new ATOM 1195 N THR A 76 -6.569 9.934 2.546 1.00 54.01 N ATOM 1196 CA THR A 76 -7.282 9.150 3.543 1.00 20.14 C ATOM 1197 C THR A 76 -6.316 8.539 4.563 1.00 55.32 C ATOM 1198 O THR A 76 -6.530 8.668 5.772 1.00 42.34 O ATOM 1199 CB THR A 76 -8.193 8.139 2.802 1.00 2.34 C ATOM 1200 OG1 THR A 76 -8.750 7.162 3.658 1.00 64.33 O ATOM 1201 CG2 THR A 76 -7.569 7.447 1.581 1.00 20.45 C ATOM 0 H THR A 76 -6.828 9.668 1.596 1.00 54.01 H new ATOM 0 HA THR A 76 -7.934 9.777 4.152 1.00 20.14 H new ATOM 0 HB THR A 76 -8.984 8.784 2.421 1.00 2.34 H new ATOM 0 HG1 THR A 76 -9.315 6.554 3.137 1.00 64.33 H new ATOM 0 HG21 THR A 76 -8.294 6.762 1.141 1.00 20.45 H new ATOM 0 HG22 THR A 76 -7.284 8.197 0.843 1.00 20.45 H new ATOM 0 HG23 THR A 76 -6.685 6.890 1.891 1.00 20.45 H new ATOM 1209 N GLU A 77 -5.220 7.927 4.105 1.00 53.33 N ATOM 1210 CA GLU A 77 -4.143 7.486 4.973 1.00 24.20 C ATOM 1211 C GLU A 77 -2.809 7.685 4.266 1.00 33.22 C ATOM 1212 O GLU A 77 -2.692 7.597 3.036 1.00 11.24 O ATOM 1213 CB GLU A 77 -4.347 6.016 5.381 1.00 63.54 C ATOM 1214 CG GLU A 77 -5.384 5.901 6.518 1.00 43.35 C ATOM 1215 CD GLU A 77 -5.532 4.521 7.161 1.00 43.12 C ATOM 1216 OE1 GLU A 77 -4.536 3.897 7.608 1.00 12.12 O ATOM 1217 OE2 GLU A 77 -6.677 4.014 7.200 1.00 12.02 O ATOM 0 H GLU A 77 -5.062 7.726 3.118 1.00 53.33 H new ATOM 0 HA GLU A 77 -4.145 8.082 5.886 1.00 24.20 H new ATOM 0 HB2 GLU A 77 -4.680 5.438 4.519 1.00 63.54 H new ATOM 0 HB3 GLU A 77 -3.398 5.589 5.704 1.00 63.54 H new ATOM 0 HG2 GLU A 77 -5.118 6.615 7.297 1.00 43.35 H new ATOM 0 HG3 GLU A 77 -6.356 6.203 6.127 1.00 43.35 H new ATOM 1224 N GLN A 78 -1.782 7.915 5.077 1.00 75.21 N ATOM 1225 CA GLN A 78 -0.396 7.877 4.680 1.00 75.42 C ATOM 1226 C GLN A 78 0.294 6.701 5.355 1.00 51.32 C ATOM 1227 O GLN A 78 -0.155 6.254 6.411 1.00 62.24 O ATOM 1228 CB GLN A 78 0.303 9.189 4.972 1.00 33.33 C ATOM 1229 CG GLN A 78 0.558 9.534 6.433 1.00 51.24 C ATOM 1230 CD GLN A 78 -0.444 10.552 6.923 1.00 34.32 C ATOM 1231 OE1 GLN A 78 -1.603 10.227 7.127 1.00 5.42 O ATOM 1232 NE2 GLN A 78 -0.023 11.780 7.121 1.00 73.52 N ATOM 0 H GLN A 78 -1.906 8.141 6.064 1.00 75.21 H new ATOM 0 HA GLN A 78 -0.341 7.736 3.601 1.00 75.42 H new ATOM 0 HB2 GLN A 78 1.262 9.183 4.454 1.00 33.33 H new ATOM 0 HB3 GLN A 78 -0.290 9.992 4.534 1.00 33.33 H new ATOM 0 HG2 GLN A 78 0.495 8.632 7.041 1.00 51.24 H new ATOM 0 HG3 GLN A 78 1.568 9.926 6.548 1.00 51.24 H new ATOM 0 HE21 GLN A 78 0.952 12.020 6.941 1.00 73.52 H new ATOM 0 HE22 GLN A 78 -0.671 12.494 7.455 1.00 73.52 H new ATOM 1241 N TYR A 79 1.427 6.280 4.798 1.00 71.11 N ATOM 1242 CA TYR A 79 2.288 5.282 5.401 1.00 51.35 C ATOM 1243 C TYR A 79 3.739 5.650 5.107 1.00 43.45 C ATOM 1244 O TYR A 79 4.047 6.180 4.032 1.00 51.13 O ATOM 1245 CB TYR A 79 1.937 3.902 4.830 1.00 44.24 C ATOM 1246 CG TYR A 79 0.481 3.489 5.015 1.00 43.11 C ATOM 1247 CD1 TYR A 79 -0.017 3.215 6.305 1.00 23.53 C ATOM 1248 CD2 TYR A 79 -0.400 3.450 3.912 1.00 20.52 C ATOM 1249 CE1 TYR A 79 -1.385 2.951 6.496 1.00 54.03 C ATOM 1250 CE2 TYR A 79 -1.766 3.170 4.096 1.00 22.33 C ATOM 1251 CZ TYR A 79 -2.266 2.939 5.395 1.00 75.52 C ATOM 1252 OH TYR A 79 -3.571 2.614 5.582 1.00 41.02 O ATOM 0 H TYR A 79 1.772 6.630 3.904 1.00 71.11 H new ATOM 0 HA TYR A 79 2.147 5.249 6.481 1.00 51.35 H new ATOM 0 HB2 TYR A 79 2.171 3.894 3.765 1.00 44.24 H new ATOM 0 HB3 TYR A 79 2.575 3.155 5.302 1.00 44.24 H new ATOM 0 HD1 TYR A 79 0.655 3.208 7.150 1.00 23.53 H new ATOM 0 HD2 TYR A 79 -0.021 3.637 2.918 1.00 20.52 H new ATOM 0 HE1 TYR A 79 -1.762 2.757 7.489 1.00 54.03 H new ATOM 0 HE2 TYR A 79 -2.430 3.132 3.245 1.00 22.33 H new ATOM 0 HH TYR A 79 -3.813 2.759 6.520 1.00 41.02 H new ATOM 1262 N HIS A 80 4.648 5.344 6.035 1.00 51.32 N ATOM 1263 CA HIS A 80 6.080 5.547 5.808 1.00 41.01 C ATOM 1264 C HIS A 80 6.686 4.362 5.069 1.00 35.54 C ATOM 1265 O HIS A 80 6.563 3.215 5.514 1.00 72.55 O ATOM 1266 CB HIS A 80 6.841 5.808 7.113 1.00 72.42 C ATOM 1267 CG HIS A 80 7.399 7.206 7.190 1.00 52.02 C ATOM 1268 ND1 HIS A 80 7.234 8.080 8.241 1.00 74.31 N ATOM 1269 CD2 HIS A 80 8.245 7.796 6.288 1.00 35.51 C ATOM 1270 CE1 HIS A 80 7.931 9.196 7.972 1.00 52.01 C ATOM 1271 NE2 HIS A 80 8.591 9.040 6.815 1.00 55.42 N ATOM 0 H HIS A 80 4.418 4.955 6.950 1.00 51.32 H new ATOM 0 HA HIS A 80 6.180 6.437 5.187 1.00 41.01 H new ATOM 0 HB2 HIS A 80 6.173 5.640 7.958 1.00 72.42 H new ATOM 0 HB3 HIS A 80 7.656 5.090 7.204 1.00 72.42 H new ATOM 0 HD1 HIS A 80 6.678 7.909 9.079 1.00 74.31 H new ATOM 0 HD2 HIS A 80 8.579 7.378 5.350 1.00 35.51 H new ATOM 0 HE1 HIS A 80 7.956 10.081 8.591 1.00 52.01 H new ATOM 1279 N ILE A 81 7.419 4.614 3.986 1.00 32.50 N ATOM 1280 CA ILE A 81 8.209 3.572 3.364 1.00 35.30 C ATOM 1281 C ILE A 81 9.541 3.494 4.109 1.00 52.25 C ATOM 1282 O ILE A 81 10.543 4.062 3.687 1.00 0.01 O ATOM 1283 CB ILE A 81 8.473 3.788 1.868 1.00 12.00 C ATOM 1284 CG1 ILE A 81 7.182 4.186 1.144 1.00 0.10 C ATOM 1285 CG2 ILE A 81 9.122 2.500 1.307 1.00 73.44 C ATOM 1286 CD1 ILE A 81 7.443 4.491 -0.327 1.00 52.11 C ATOM 0 H ILE A 81 7.478 5.524 3.530 1.00 32.50 H new ATOM 0 HA ILE A 81 7.639 2.645 3.430 1.00 35.30 H new ATOM 0 HB ILE A 81 9.163 4.616 1.705 1.00 12.00 H new ATOM 0 HG12 ILE A 81 6.453 3.380 1.227 1.00 0.10 H new ATOM 0 HG13 ILE A 81 6.746 5.061 1.627 1.00 0.10 H new ATOM 0 HG21 ILE A 81 9.321 2.626 0.243 1.00 73.44 H new ATOM 0 HG22 ILE A 81 10.058 2.307 1.830 1.00 73.44 H new ATOM 0 HG23 ILE A 81 8.445 1.658 1.452 1.00 73.44 H new ATOM 0 HD11 ILE A 81 6.508 4.770 -0.812 1.00 52.11 H new ATOM 0 HD12 ILE A 81 8.153 5.314 -0.408 1.00 52.11 H new ATOM 0 HD13 ILE A 81 7.855 3.607 -0.814 1.00 52.11 H new ATOM 1298 N LEU A 82 9.580 2.742 5.196 1.00 34.44 N ATOM 1299 CA LEU A 82 10.861 2.395 5.823 1.00 64.23 C ATOM 1300 C LEU A 82 11.720 1.495 4.903 1.00 34.42 C ATOM 1301 O LEU A 82 12.783 1.934 4.470 1.00 63.11 O ATOM 1302 CB LEU A 82 10.726 1.777 7.219 1.00 31.31 C ATOM 1303 CG LEU A 82 9.517 2.243 8.058 1.00 64.44 C ATOM 1304 CD1 LEU A 82 9.259 1.188 9.115 1.00 34.24 C ATOM 1305 CD2 LEU A 82 9.724 3.625 8.675 1.00 62.32 C ATOM 0 H LEU A 82 8.757 2.361 5.663 1.00 34.44 H new ATOM 0 HA LEU A 82 11.376 3.345 5.964 1.00 64.23 H new ATOM 0 HB2 LEU A 82 10.670 0.694 7.110 1.00 31.31 H new ATOM 0 HB3 LEU A 82 11.636 1.994 7.779 1.00 31.31 H new ATOM 0 HG LEU A 82 8.647 2.351 7.410 1.00 64.44 H new ATOM 0 HD11 LEU A 82 8.408 1.487 9.727 1.00 34.24 H new ATOM 0 HD12 LEU A 82 9.042 0.235 8.633 1.00 34.24 H new ATOM 0 HD13 LEU A 82 10.141 1.082 9.746 1.00 34.24 H new ATOM 0 HD21 LEU A 82 8.842 3.901 9.254 1.00 62.32 H new ATOM 0 HD22 LEU A 82 10.596 3.605 9.329 1.00 62.32 H new ATOM 0 HD23 LEU A 82 9.882 4.357 7.883 1.00 62.32 H new ATOM 1317 N LYS A 83 11.309 0.256 4.547 1.00 75.33 N ATOM 1318 CA LYS A 83 12.138 -0.701 3.818 1.00 2.30 C ATOM 1319 C LYS A 83 11.304 -1.534 2.833 1.00 52.05 C ATOM 1320 O LYS A 83 10.493 -2.374 3.218 1.00 53.04 O ATOM 1321 CB LYS A 83 12.783 -1.628 4.836 1.00 1.13 C ATOM 1322 CG LYS A 83 14.133 -2.123 4.328 1.00 41.01 C ATOM 1323 CD LYS A 83 14.072 -3.227 3.278 1.00 40.04 C ATOM 1324 CE LYS A 83 15.134 -3.041 2.190 1.00 21.14 C ATOM 1325 NZ LYS A 83 15.025 -4.036 1.095 1.00 0.32 N ATOM 0 H LYS A 83 10.379 -0.101 4.766 1.00 75.33 H new ATOM 0 HA LYS A 83 12.887 -0.158 3.242 1.00 2.30 H new ATOM 0 HB2 LYS A 83 12.914 -1.103 5.782 1.00 1.13 H new ATOM 0 HB3 LYS A 83 12.127 -2.477 5.030 1.00 1.13 H new ATOM 0 HG2 LYS A 83 14.677 -1.276 3.909 1.00 41.01 H new ATOM 0 HG3 LYS A 83 14.711 -2.485 5.178 1.00 41.01 H new ATOM 0 HD2 LYS A 83 14.212 -4.194 3.760 1.00 40.04 H new ATOM 0 HD3 LYS A 83 13.083 -3.239 2.821 1.00 40.04 H new ATOM 0 HE2 LYS A 83 15.046 -2.038 1.772 1.00 21.14 H new ATOM 0 HE3 LYS A 83 16.124 -3.112 2.641 1.00 21.14 H new ATOM 0 HZ1 LYS A 83 15.702 -3.799 0.342 1.00 0.32 H new ATOM 0 HZ2 LYS A 83 15.237 -4.984 1.465 1.00 0.32 H new ATOM 0 HZ3 LYS A 83 14.059 -4.023 0.709 1.00 0.32 H new ATOM 1339 N LEU A 84 11.382 -1.271 1.538 1.00 13.01 N ATOM 1340 CA LEU A 84 10.611 -2.033 0.548 1.00 55.13 C ATOM 1341 C LEU A 84 11.467 -3.226 0.108 1.00 44.24 C ATOM 1342 O LEU A 84 12.669 -3.025 -0.078 1.00 22.10 O ATOM 1343 CB LEU A 84 10.216 -1.129 -0.639 1.00 31.12 C ATOM 1344 CG LEU A 84 8.817 -1.401 -1.211 1.00 60.14 C ATOM 1345 CD1 LEU A 84 8.506 -0.459 -2.373 1.00 62.33 C ATOM 1346 CD2 LEU A 84 8.655 -2.821 -1.725 1.00 11.01 C ATOM 0 H LEU A 84 11.969 -0.538 1.141 1.00 13.01 H new ATOM 0 HA LEU A 84 9.679 -2.401 0.978 1.00 55.13 H new ATOM 0 HB2 LEU A 84 10.267 -0.088 -0.319 1.00 31.12 H new ATOM 0 HB3 LEU A 84 10.950 -1.255 -1.435 1.00 31.12 H new ATOM 0 HG LEU A 84 8.130 -1.239 -0.380 1.00 60.14 H new ATOM 0 HD11 LEU A 84 7.509 -0.674 -2.759 1.00 62.33 H new ATOM 0 HD12 LEU A 84 8.546 0.573 -2.025 1.00 62.33 H new ATOM 0 HD13 LEU A 84 9.241 -0.604 -3.165 1.00 62.33 H new ATOM 0 HD21 LEU A 84 7.646 -2.953 -2.117 1.00 11.01 H new ATOM 0 HD22 LEU A 84 9.380 -3.006 -2.518 1.00 11.01 H new ATOM 0 HD23 LEU A 84 8.823 -3.524 -0.909 1.00 11.01 H new ATOM 1358 N THR A 85 10.892 -4.423 -0.044 1.00 3.31 N ATOM 1359 CA THR A 85 11.558 -5.590 -0.625 1.00 61.44 C ATOM 1360 C THR A 85 10.646 -6.197 -1.700 1.00 42.44 C ATOM 1361 O THR A 85 9.494 -5.781 -1.884 1.00 32.51 O ATOM 1362 CB THR A 85 11.994 -6.624 0.453 1.00 44.11 C ATOM 1363 OG1 THR A 85 11.059 -7.667 0.660 1.00 44.33 O ATOM 1364 CG2 THR A 85 12.316 -5.970 1.802 1.00 71.14 C ATOM 0 H THR A 85 9.930 -4.610 0.240 1.00 3.31 H new ATOM 0 HA THR A 85 12.488 -5.272 -1.096 1.00 61.44 H new ATOM 0 HB THR A 85 12.901 -7.064 0.039 1.00 44.11 H new ATOM 0 HG1 THR A 85 11.462 -8.360 1.224 1.00 44.33 H new ATOM 0 HG21 THR A 85 12.614 -6.737 2.516 1.00 71.14 H new ATOM 0 HG22 THR A 85 13.130 -5.256 1.675 1.00 71.14 H new ATOM 0 HG23 THR A 85 11.433 -5.451 2.175 1.00 71.14 H new ATOM 1372 N SER A 86 11.127 -7.227 -2.386 1.00 53.13 N ATOM 1373 CA SER A 86 10.389 -8.026 -3.346 1.00 24.43 C ATOM 1374 C SER A 86 9.251 -8.838 -2.722 1.00 71.23 C ATOM 1375 O SER A 86 8.445 -9.390 -3.475 1.00 34.24 O ATOM 1376 CB SER A 86 11.425 -8.926 -4.015 1.00 24.40 C ATOM 1377 OG SER A 86 10.979 -9.456 -5.242 1.00 13.12 O ATOM 0 H SER A 86 12.092 -7.540 -2.279 1.00 53.13 H new ATOM 0 HA SER A 86 9.884 -7.379 -4.063 1.00 24.43 H new ATOM 0 HB2 SER A 86 12.340 -8.357 -4.182 1.00 24.40 H new ATOM 0 HB3 SER A 86 11.677 -9.745 -3.341 1.00 24.40 H new ATOM 0 HG SER A 86 10.031 -9.693 -5.171 1.00 13.12 H new ATOM 1383 N LYS A 87 9.128 -8.915 -1.393 1.00 64.31 N ATOM 1384 CA LYS A 87 8.015 -9.608 -0.746 1.00 51.15 C ATOM 1385 C LYS A 87 7.492 -8.934 0.516 1.00 1.03 C ATOM 1386 O LYS A 87 6.383 -9.272 0.919 1.00 12.14 O ATOM 1387 CB LYS A 87 8.380 -11.075 -0.471 1.00 74.25 C ATOM 1388 CG LYS A 87 9.449 -11.278 0.614 1.00 55.24 C ATOM 1389 CD LYS A 87 9.516 -12.751 1.057 1.00 31.32 C ATOM 1390 CE LYS A 87 9.793 -12.865 2.564 1.00 62.21 C ATOM 1391 NZ LYS A 87 9.812 -14.263 3.026 1.00 52.12 N ATOM 0 H LYS A 87 9.794 -8.501 -0.741 1.00 64.31 H new ATOM 0 HA LYS A 87 7.190 -9.560 -1.457 1.00 51.15 H new ATOM 0 HB2 LYS A 87 7.477 -11.611 -0.177 1.00 74.25 H new ATOM 0 HB3 LYS A 87 8.732 -11.528 -1.398 1.00 74.25 H new ATOM 0 HG2 LYS A 87 10.421 -10.965 0.234 1.00 55.24 H new ATOM 0 HG3 LYS A 87 9.224 -10.646 1.473 1.00 55.24 H new ATOM 0 HD2 LYS A 87 8.576 -13.248 0.819 1.00 31.32 H new ATOM 0 HD3 LYS A 87 10.299 -13.266 0.500 1.00 31.32 H new ATOM 0 HE2 LYS A 87 10.751 -12.397 2.791 1.00 62.21 H new ATOM 0 HE3 LYS A 87 9.030 -12.314 3.114 1.00 62.21 H new ATOM 0 HZ1 LYS A 87 10.002 -14.288 4.048 1.00 52.12 H new ATOM 0 HZ2 LYS A 87 8.890 -14.704 2.835 1.00 52.12 H new ATOM 0 HZ3 LYS A 87 10.557 -14.785 2.522 1.00 52.12 H new ATOM 1405 N GLU A 88 8.242 -8.016 1.129 1.00 31.11 N ATOM 1406 CA GLU A 88 7.979 -7.511 2.468 1.00 62.14 C ATOM 1407 C GLU A 88 7.818 -5.991 2.393 1.00 51.31 C ATOM 1408 O GLU A 88 8.590 -5.278 1.738 1.00 44.41 O ATOM 1409 CB GLU A 88 9.102 -7.966 3.422 1.00 22.13 C ATOM 1410 CG GLU A 88 8.644 -9.119 4.328 1.00 1.44 C ATOM 1411 CD GLU A 88 9.798 -9.825 5.053 1.00 24.13 C ATOM 1412 OE1 GLU A 88 10.862 -10.094 4.439 1.00 73.43 O ATOM 1413 OE2 GLU A 88 9.637 -10.135 6.254 1.00 13.23 O ATOM 0 H GLU A 88 9.065 -7.598 0.695 1.00 31.11 H new ATOM 0 HA GLU A 88 7.052 -7.916 2.873 1.00 62.14 H new ATOM 0 HB2 GLU A 88 9.968 -8.282 2.840 1.00 22.13 H new ATOM 0 HB3 GLU A 88 9.421 -7.124 4.037 1.00 22.13 H new ATOM 0 HG2 GLU A 88 7.943 -8.732 5.068 1.00 1.44 H new ATOM 0 HG3 GLU A 88 8.102 -9.849 3.727 1.00 1.44 H new ATOM 1420 N MET A 89 6.742 -5.478 2.988 1.00 11.41 N ATOM 1421 CA MET A 89 6.410 -4.069 2.967 1.00 24.23 C ATOM 1422 C MET A 89 5.906 -3.619 4.318 1.00 62.53 C ATOM 1423 O MET A 89 5.132 -4.336 4.918 1.00 42.14 O ATOM 1424 CB MET A 89 5.351 -3.859 1.902 1.00 40.25 C ATOM 1425 CG MET A 89 5.106 -2.384 1.622 1.00 62.55 C ATOM 1426 SD MET A 89 4.730 -2.044 -0.114 1.00 52.41 S ATOM 1427 CE MET A 89 2.935 -2.051 -0.016 1.00 75.34 C ATOM 0 H MET A 89 6.070 -6.046 3.505 1.00 11.41 H new ATOM 0 HA MET A 89 7.296 -3.476 2.739 1.00 24.23 H new ATOM 0 HB2 MET A 89 5.659 -4.356 0.982 1.00 40.25 H new ATOM 0 HB3 MET A 89 4.419 -4.327 2.220 1.00 40.25 H new ATOM 0 HG2 MET A 89 4.280 -2.035 2.242 1.00 62.55 H new ATOM 0 HG3 MET A 89 5.987 -1.813 1.915 1.00 62.55 H new ATOM 0 HE1 MET A 89 2.554 -3.005 -0.381 1.00 75.34 H new ATOM 0 HE2 MET A 89 2.627 -1.909 1.020 1.00 75.34 H new ATOM 0 HE3 MET A 89 2.534 -1.243 -0.628 1.00 75.34 H new ATOM 1437 N LYS A 90 6.366 -2.455 4.786 1.00 32.51 N ATOM 1438 CA LYS A 90 6.387 -2.086 6.206 1.00 2.34 C ATOM 1439 C LYS A 90 5.615 -0.879 6.710 1.00 33.50 C ATOM 1440 O LYS A 90 6.179 -0.016 7.375 1.00 43.41 O ATOM 1441 CB LYS A 90 7.854 -1.929 6.559 1.00 22.30 C ATOM 1442 CG LYS A 90 8.715 -1.097 5.700 1.00 44.45 C ATOM 1443 CD LYS A 90 7.993 0.083 5.095 1.00 55.42 C ATOM 1444 CE LYS A 90 8.403 0.253 3.680 1.00 44.32 C ATOM 1445 NZ LYS A 90 8.309 -0.947 2.818 1.00 63.51 N ATOM 0 H LYS A 90 6.742 -1.728 4.177 1.00 32.51 H new ATOM 0 HA LYS A 90 5.838 -2.885 6.704 1.00 2.34 H new ATOM 0 HB2 LYS A 90 7.907 -1.522 7.569 1.00 22.30 H new ATOM 0 HB3 LYS A 90 8.292 -2.927 6.594 1.00 22.30 H new ATOM 0 HG2 LYS A 90 9.560 -0.736 6.286 1.00 44.45 H new ATOM 0 HG3 LYS A 90 9.123 -1.714 4.899 1.00 44.45 H new ATOM 0 HD2 LYS A 90 6.915 -0.069 5.155 1.00 55.42 H new ATOM 0 HD3 LYS A 90 8.219 0.988 5.660 1.00 55.42 H new ATOM 0 HE2 LYS A 90 7.790 1.039 3.239 1.00 44.32 H new ATOM 0 HE3 LYS A 90 9.434 0.606 3.663 1.00 44.32 H new ATOM 0 HZ1 LYS A 90 8.653 -0.717 1.864 1.00 63.51 H new ATOM 0 HZ2 LYS A 90 8.890 -1.710 3.220 1.00 63.51 H new ATOM 0 HZ3 LYS A 90 7.318 -1.258 2.763 1.00 63.51 H new ATOM 1459 N TRP A 91 4.484 -0.675 6.081 1.00 61.34 N ATOM 1460 CA TRP A 91 3.909 0.628 5.876 1.00 15.41 C ATOM 1461 C TRP A 91 3.522 1.226 7.226 1.00 2.03 C ATOM 1462 O TRP A 91 2.421 0.994 7.715 1.00 31.33 O ATOM 1463 CB TRP A 91 2.674 0.408 4.991 1.00 33.34 C ATOM 1464 CG TRP A 91 2.781 0.776 3.560 1.00 0.11 C ATOM 1465 CD1 TRP A 91 1.716 1.211 2.859 1.00 40.15 C ATOM 1466 CD2 TRP A 91 3.922 0.826 2.651 1.00 33.10 C ATOM 1467 NE1 TRP A 91 2.092 1.616 1.621 1.00 2.12 N ATOM 1468 CE2 TRP A 91 3.416 1.353 1.411 1.00 3.13 C ATOM 1469 CE3 TRP A 91 5.297 0.455 2.714 1.00 54.21 C ATOM 1470 CZ2 TRP A 91 4.194 1.532 0.278 1.00 35.50 C ATOM 1471 CZ3 TRP A 91 6.048 0.630 1.520 1.00 12.31 C ATOM 1472 CH2 TRP A 91 5.526 1.157 0.332 1.00 44.24 C ATOM 0 H TRP A 91 3.925 -1.432 5.688 1.00 61.34 H new ATOM 0 HA TRP A 91 4.603 1.321 5.401 1.00 15.41 H new ATOM 0 HB2 TRP A 91 2.404 -0.647 5.047 1.00 33.34 H new ATOM 0 HB3 TRP A 91 1.847 0.972 5.422 1.00 33.34 H new ATOM 0 HD1 TRP A 91 0.703 1.234 3.232 1.00 40.15 H new ATOM 0 HE1 TRP A 91 1.472 2.056 0.941 1.00 2.12 H new ATOM 0 HE3 TRP A 91 5.742 0.064 3.617 1.00 54.21 H new ATOM 0 HZ2 TRP A 91 3.773 1.953 -0.623 1.00 35.50 H new ATOM 0 HZ3 TRP A 91 7.088 0.338 1.529 1.00 12.31 H new ATOM 0 HH2 TRP A 91 6.158 1.270 -0.536 1.00 44.24 H new ATOM 1483 N GLU A 92 4.453 1.937 7.853 1.00 3.32 N ATOM 1484 CA GLU A 92 4.298 2.270 9.245 1.00 24.42 C ATOM 1485 C GLU A 92 3.392 3.502 9.310 1.00 31.53 C ATOM 1486 O GLU A 92 3.403 4.324 8.388 1.00 64.34 O ATOM 1487 CB GLU A 92 5.671 2.482 9.887 1.00 31.50 C ATOM 1488 CG GLU A 92 5.592 2.518 11.425 1.00 73.33 C ATOM 1489 CD GLU A 92 6.034 3.872 12.001 1.00 70.41 C ATOM 1490 OE1 GLU A 92 5.500 4.920 11.576 1.00 31.21 O ATOM 1491 OE2 GLU A 92 6.980 3.897 12.826 1.00 4.43 O ATOM 0 H GLU A 92 5.308 2.285 7.418 1.00 3.32 H new ATOM 0 HA GLU A 92 3.832 1.466 9.815 1.00 24.42 H new ATOM 0 HB2 GLU A 92 6.343 1.681 9.578 1.00 31.50 H new ATOM 0 HB3 GLU A 92 6.100 3.416 9.524 1.00 31.50 H new ATOM 0 HG2 GLU A 92 4.569 2.309 11.739 1.00 73.33 H new ATOM 0 HG3 GLU A 92 6.220 1.728 11.837 1.00 73.33 H new ATOM 1498 N ASN A 93 2.620 3.623 10.386 1.00 33.53 N ATOM 1499 CA ASN A 93 1.544 4.592 10.545 1.00 65.54 C ATOM 1500 C ASN A 93 1.939 6.024 10.184 1.00 65.34 C ATOM 1501 O ASN A 93 1.141 6.713 9.547 1.00 21.32 O ATOM 1502 CB ASN A 93 0.999 4.471 11.984 1.00 33.13 C ATOM 1503 CG ASN A 93 0.594 5.814 12.575 1.00 25.14 C ATOM 1504 OD1 ASN A 93 1.432 6.496 13.148 1.00 72.35 O ATOM 1505 ND2 ASN A 93 -0.640 6.249 12.419 1.00 62.23 N ATOM 0 H ASN A 93 2.733 3.023 11.203 1.00 33.53 H new ATOM 0 HA ASN A 93 0.758 4.356 9.828 1.00 65.54 H new ATOM 0 HB2 ASN A 93 0.138 3.803 11.987 1.00 33.13 H new ATOM 0 HB3 ASN A 93 1.759 4.014 12.618 1.00 33.13 H new ATOM 0 HD21 ASN A 93 -0.907 7.166 12.778 1.00 62.23 H new ATOM 0 HD22 ASN A 93 -1.328 5.669 11.939 1.00 62.23 H new ATOM 1512 N ALA A 94 3.156 6.458 10.528 1.00 23.23 N ATOM 1513 CA ALA A 94 3.782 7.725 10.159 1.00 63.55 C ATOM 1514 C ALA A 94 3.103 9.006 10.664 1.00 50.11 C ATOM 1515 O ALA A 94 3.804 10.006 10.819 1.00 72.23 O ATOM 1516 CB ALA A 94 3.959 7.790 8.636 1.00 1.40 C ATOM 0 H ALA A 94 3.770 5.891 11.113 1.00 23.23 H new ATOM 0 HA ALA A 94 4.740 7.713 10.680 1.00 63.55 H new ATOM 0 HB1 ALA A 94 4.426 8.736 8.364 1.00 1.40 H new ATOM 0 HB2 ALA A 94 4.592 6.965 8.308 1.00 1.40 H new ATOM 0 HB3 ALA A 94 2.985 7.714 8.153 1.00 1.40 H new ATOM 1522 N SER A 95 1.786 9.046 10.852 1.00 44.04 N ATOM 1523 CA SER A 95 1.037 10.134 11.459 1.00 71.33 C ATOM 1524 C SER A 95 0.041 9.528 12.458 1.00 70.12 C ATOM 1525 O SER A 95 -1.121 9.284 12.114 1.00 2.04 O ATOM 1526 CB SER A 95 0.365 11.022 10.404 1.00 10.12 C ATOM 1527 OG SER A 95 1.314 11.896 9.811 1.00 21.44 O ATOM 0 H SER A 95 1.183 8.274 10.567 1.00 44.04 H new ATOM 0 HA SER A 95 1.712 10.800 11.996 1.00 71.33 H new ATOM 0 HB2 SER A 95 -0.095 10.400 9.636 1.00 10.12 H new ATOM 0 HB3 SER A 95 -0.434 11.602 10.865 1.00 10.12 H new ATOM 0 HG SER A 95 2.219 11.561 9.983 1.00 21.44 H new ATOM 1533 N PRO A 96 0.455 9.273 13.712 1.00 14.14 N ATOM 1534 CA PRO A 96 -0.465 8.838 14.763 1.00 21.31 C ATOM 1535 C PRO A 96 -1.516 9.920 15.063 1.00 61.55 C ATOM 1536 O PRO A 96 -2.576 9.634 15.616 1.00 10.20 O ATOM 1537 CB PRO A 96 0.426 8.509 15.963 1.00 42.01 C ATOM 1538 CG PRO A 96 1.676 9.365 15.761 1.00 65.54 C ATOM 1539 CD PRO A 96 1.797 9.473 14.243 1.00 70.14 C ATOM 0 HA PRO A 96 -1.051 7.966 14.474 1.00 21.31 H new ATOM 0 HB2 PRO A 96 -0.071 8.749 16.903 1.00 42.01 H new ATOM 0 HB3 PRO A 96 0.673 7.448 15.994 1.00 42.01 H new ATOM 0 HG2 PRO A 96 1.570 10.345 16.225 1.00 65.54 H new ATOM 0 HG3 PRO A 96 2.557 8.898 16.201 1.00 65.54 H new ATOM 0 HD2 PRO A 96 2.189 10.448 13.952 1.00 70.14 H new ATOM 0 HD3 PRO A 96 2.485 8.723 13.853 1.00 70.14 H new ATOM 1547 N LYS A 97 -1.254 11.160 14.632 1.00 42.42 N ATOM 1548 CA LYS A 97 -2.156 12.294 14.762 1.00 54.13 C ATOM 1549 C LYS A 97 -3.516 11.987 14.134 1.00 63.41 C ATOM 1550 O LYS A 97 -4.532 12.372 14.708 1.00 63.31 O ATOM 1551 CB LYS A 97 -1.541 13.585 14.178 1.00 1.01 C ATOM 1552 CG LYS A 97 -0.017 13.706 14.362 1.00 31.41 C ATOM 1553 CD LYS A 97 0.542 15.089 13.983 1.00 74.32 C ATOM 1554 CE LYS A 97 1.286 15.697 15.177 1.00 14.33 C ATOM 1555 NZ LYS A 97 2.163 16.823 14.795 1.00 31.23 N ATOM 0 H LYS A 97 -0.378 11.402 14.169 1.00 42.42 H new ATOM 0 HA LYS A 97 -2.312 12.469 15.826 1.00 54.13 H new ATOM 0 HB2 LYS A 97 -1.771 13.633 13.114 1.00 1.01 H new ATOM 0 HB3 LYS A 97 -2.020 14.445 14.646 1.00 1.01 H new ATOM 0 HG2 LYS A 97 0.233 13.495 15.402 1.00 31.41 H new ATOM 0 HG3 LYS A 97 0.475 12.946 13.755 1.00 31.41 H new ATOM 0 HD2 LYS A 97 1.217 14.997 13.132 1.00 74.32 H new ATOM 0 HD3 LYS A 97 -0.271 15.748 13.676 1.00 74.32 H new ATOM 0 HE2 LYS A 97 0.560 16.042 15.913 1.00 14.33 H new ATOM 0 HE3 LYS A 97 1.885 14.923 15.658 1.00 14.33 H new ATOM 0 HZ1 LYS A 97 2.640 17.194 15.641 1.00 31.23 H new ATOM 0 HZ2 LYS A 97 2.875 16.492 14.113 1.00 31.23 H new ATOM 0 HZ3 LYS A 97 1.592 17.576 14.361 1.00 31.23 H new ATOM 1569 N ASP A 98 -3.541 11.269 13.005 1.00 62.41 N ATOM 1570 CA ASP A 98 -4.778 10.824 12.356 1.00 10.11 C ATOM 1571 C ASP A 98 -5.161 9.414 12.800 1.00 65.41 C ATOM 1572 O ASP A 98 -6.347 9.125 12.956 1.00 54.01 O ATOM 1573 CB ASP A 98 -4.664 10.898 10.827 1.00 71.33 C ATOM 1574 CG ASP A 98 -5.230 12.205 10.260 1.00 43.42 C ATOM 1575 OD1 ASP A 98 -5.047 13.275 10.888 1.00 74.43 O ATOM 1576 OD2 ASP A 98 -5.825 12.187 9.158 1.00 11.24 O ATOM 0 H ASP A 98 -2.696 10.979 12.513 1.00 62.41 H new ATOM 0 HA ASP A 98 -5.571 11.503 12.668 1.00 10.11 H new ATOM 0 HB2 ASP A 98 -3.617 10.804 10.539 1.00 71.33 H new ATOM 0 HB3 ASP A 98 -5.194 10.054 10.385 1.00 71.33 H new ATOM 1581 N GLY A 99 -4.181 8.544 13.061 1.00 52.43 N ATOM 1582 CA GLY A 99 -4.418 7.232 13.665 1.00 5.33 C ATOM 1583 C GLY A 99 -4.306 6.057 12.692 1.00 44.43 C ATOM 1584 O GLY A 99 -4.885 5.001 12.939 1.00 25.50 O ATOM 0 H GLY A 99 -3.199 8.731 12.858 1.00 52.43 H new ATOM 0 HA2 GLY A 99 -3.705 7.085 14.476 1.00 5.33 H new ATOM 0 HA3 GLY A 99 -5.413 7.225 14.110 1.00 5.33 H new ATOM 1588 N ASN A 100 -3.583 6.254 11.585 1.00 25.34 N ATOM 1589 CA ASN A 100 -3.368 5.322 10.469 1.00 3.14 C ATOM 1590 C ASN A 100 -2.900 3.942 10.939 1.00 10.04 C ATOM 1591 O ASN A 100 -2.375 3.813 12.045 1.00 70.21 O ATOM 1592 CB ASN A 100 -2.343 5.881 9.503 1.00 43.24 C ATOM 1593 CG ASN A 100 -2.729 7.246 8.973 1.00 5.31 C ATOM 1594 OD1 ASN A 100 -3.672 7.919 9.375 1.00 41.41 O ATOM 1595 ND2 ASN A 100 -1.941 7.686 8.047 1.00 2.03 N ATOM 0 H ASN A 100 -3.095 7.136 11.432 1.00 25.34 H new ATOM 0 HA ASN A 100 -4.332 5.205 9.974 1.00 3.14 H new ATOM 0 HB2 ASN A 100 -1.377 5.949 10.003 1.00 43.24 H new ATOM 0 HB3 ASN A 100 -2.222 5.191 8.668 1.00 43.24 H new ATOM 0 HD21 ASN A 100 -2.099 8.607 7.638 1.00 2.03 H new ATOM 0 HD22 ASN A 100 -1.162 7.112 7.725 1.00 2.03 H new ATOM 1602 N SER A 101 -3.005 2.929 10.081 1.00 22.53 N ATOM 1603 CA SER A 101 -2.521 1.577 10.375 1.00 3.01 C ATOM 1604 C SER A 101 -1.016 1.420 10.117 1.00 32.24 C ATOM 1605 O SER A 101 -0.402 2.267 9.473 1.00 53.33 O ATOM 1606 CB SER A 101 -3.330 0.544 9.577 1.00 15.14 C ATOM 1607 OG SER A 101 -3.833 1.066 8.351 1.00 35.33 O ATOM 0 H SER A 101 -3.429 3.021 9.158 1.00 22.53 H new ATOM 0 HA SER A 101 -2.669 1.400 11.440 1.00 3.01 H new ATOM 0 HB2 SER A 101 -2.700 -0.321 9.368 1.00 15.14 H new ATOM 0 HB3 SER A 101 -4.163 0.192 10.186 1.00 15.14 H new ATOM 0 HG SER A 101 -4.811 1.011 8.349 1.00 35.33 H new ATOM 1613 N ASP A 102 -0.436 0.304 10.568 1.00 62.12 N ATOM 1614 CA ASP A 102 0.996 -0.008 10.482 1.00 72.24 C ATOM 1615 C ASP A 102 1.267 -1.465 10.058 1.00 2.32 C ATOM 1616 O ASP A 102 2.226 -2.104 10.493 1.00 74.45 O ATOM 1617 CB ASP A 102 1.703 0.396 11.784 1.00 41.32 C ATOM 1618 CG ASP A 102 1.538 -0.591 12.947 1.00 70.14 C ATOM 1619 OD1 ASP A 102 0.456 -1.200 13.087 1.00 52.25 O ATOM 1620 OD2 ASP A 102 2.504 -0.708 13.741 1.00 42.34 O ATOM 0 H ASP A 102 -0.971 -0.437 11.021 1.00 62.12 H new ATOM 0 HA ASP A 102 1.427 0.589 9.679 1.00 72.24 H new ATOM 0 HB2 ASP A 102 2.767 0.518 11.579 1.00 41.32 H new ATOM 0 HB3 ASP A 102 1.325 1.369 12.097 1.00 41.32 H new ATOM 1625 N LYS A 103 0.407 -2.011 9.190 1.00 0.43 N ATOM 1626 CA LYS A 103 0.434 -3.427 8.790 1.00 54.04 C ATOM 1627 C LYS A 103 1.572 -3.720 7.805 1.00 13.33 C ATOM 1628 O LYS A 103 2.140 -2.808 7.184 1.00 23.44 O ATOM 1629 CB LYS A 103 -0.925 -3.868 8.200 1.00 34.42 C ATOM 1630 CG LYS A 103 -1.288 -3.255 6.840 1.00 23.32 C ATOM 1631 CD LYS A 103 -1.991 -1.895 6.960 1.00 31.54 C ATOM 1632 CE LYS A 103 -3.041 -1.716 5.857 1.00 21.33 C ATOM 1633 NZ LYS A 103 -3.717 -0.406 5.960 1.00 60.52 N ATOM 0 H LYS A 103 -0.337 -1.478 8.739 1.00 0.43 H new ATOM 0 HA LYS A 103 0.620 -4.010 9.692 1.00 54.04 H new ATOM 0 HB2 LYS A 103 -0.922 -4.953 8.100 1.00 34.42 H new ATOM 0 HB3 LYS A 103 -1.710 -3.615 8.913 1.00 34.42 H new ATOM 0 HG2 LYS A 103 -0.381 -3.137 6.248 1.00 23.32 H new ATOM 0 HG3 LYS A 103 -1.935 -3.945 6.298 1.00 23.32 H new ATOM 0 HD2 LYS A 103 -2.468 -1.814 7.937 1.00 31.54 H new ATOM 0 HD3 LYS A 103 -1.254 -1.095 6.898 1.00 31.54 H new ATOM 0 HE2 LYS A 103 -2.564 -1.805 4.881 1.00 21.33 H new ATOM 0 HE3 LYS A 103 -3.780 -2.514 5.924 1.00 21.33 H new ATOM 0 HZ1 LYS A 103 -4.724 -0.516 5.725 1.00 60.52 H new ATOM 0 HZ2 LYS A 103 -3.625 -0.043 6.930 1.00 60.52 H new ATOM 0 HZ3 LYS A 103 -3.278 0.264 5.297 1.00 60.52 H new ATOM 1647 N ARG A 104 1.817 -5.004 7.526 1.00 35.31 N ATOM 1648 CA ARG A 104 2.874 -5.394 6.613 1.00 41.15 C ATOM 1649 C ARG A 104 2.405 -6.281 5.493 1.00 42.42 C ATOM 1650 O ARG A 104 2.548 -7.490 5.555 1.00 20.31 O ATOM 1651 CB ARG A 104 4.062 -5.981 7.401 1.00 51.31 C ATOM 1652 CG ARG A 104 4.736 -4.968 8.346 1.00 23.34 C ATOM 1653 CD ARG A 104 6.238 -5.269 8.508 1.00 41.13 C ATOM 1654 NE ARG A 104 6.450 -6.584 9.128 1.00 11.34 N ATOM 1655 CZ ARG A 104 6.164 -6.869 10.401 1.00 20.30 C ATOM 1656 NH1 ARG A 104 5.982 -5.909 11.305 1.00 40.04 N ATOM 1657 NH2 ARG A 104 6.047 -8.140 10.745 1.00 34.41 N ATOM 0 H ARG A 104 1.293 -5.784 7.923 1.00 35.31 H new ATOM 0 HA ARG A 104 3.221 -4.494 6.105 1.00 41.15 H new ATOM 0 HB2 ARG A 104 3.714 -6.834 7.984 1.00 51.31 H new ATOM 0 HB3 ARG A 104 4.804 -6.358 6.697 1.00 51.31 H new ATOM 0 HG2 ARG A 104 4.605 -3.959 7.955 1.00 23.34 H new ATOM 0 HG3 ARG A 104 4.250 -4.997 9.321 1.00 23.34 H new ATOM 0 HD2 ARG A 104 6.725 -5.240 7.533 1.00 41.13 H new ATOM 0 HD3 ARG A 104 6.703 -4.496 9.120 1.00 41.13 H new ATOM 0 HE ARG A 104 6.841 -7.327 8.549 1.00 11.34 H new ATOM 0 HH11 ARG A 104 6.060 -4.929 11.031 1.00 40.04 H new ATOM 0 HH12 ARG A 104 5.764 -6.153 12.271 1.00 40.04 H new ATOM 0 HH21 ARG A 104 6.175 -8.871 10.046 1.00 34.41 H new ATOM 0 HH22 ARG A 104 5.829 -8.389 11.710 1.00 34.41 H new ATOM 1671 N LEU A 105 2.032 -5.650 4.379 1.00 33.13 N ATOM 1672 CA LEU A 105 1.661 -6.333 3.143 1.00 75.13 C ATOM 1673 C LEU A 105 2.754 -7.321 2.713 1.00 33.41 C ATOM 1674 O LEU A 105 3.865 -6.915 2.359 1.00 0.34 O ATOM 1675 CB LEU A 105 1.485 -5.319 1.989 1.00 63.33 C ATOM 1676 CG LEU A 105 0.509 -4.129 2.070 1.00 72.13 C ATOM 1677 CD1 LEU A 105 -0.838 -4.257 1.359 1.00 63.55 C ATOM 1678 CD2 LEU A 105 0.427 -3.462 3.466 1.00 53.04 C ATOM 0 H LEU A 105 1.979 -4.634 4.311 1.00 33.13 H new ATOM 0 HA LEU A 105 0.727 -6.859 3.340 1.00 75.13 H new ATOM 0 HB2 LEU A 105 2.471 -4.900 1.790 1.00 63.33 H new ATOM 0 HB3 LEU A 105 1.200 -5.896 1.109 1.00 63.33 H new ATOM 0 HG LEU A 105 1.016 -3.412 1.424 1.00 72.13 H new ATOM 0 HD11 LEU A 105 -1.415 -3.344 1.505 1.00 63.55 H new ATOM 0 HD12 LEU A 105 -0.673 -4.416 0.293 1.00 63.55 H new ATOM 0 HD13 LEU A 105 -1.388 -5.103 1.771 1.00 63.55 H new ATOM 0 HD21 LEU A 105 -0.282 -2.635 3.433 1.00 53.04 H new ATOM 0 HD22 LEU A 105 0.095 -4.195 4.201 1.00 53.04 H new ATOM 0 HD23 LEU A 105 1.410 -3.086 3.748 1.00 53.04 H new ATOM 1690 N GLU A 106 2.437 -8.611 2.614 1.00 15.23 N ATOM 1691 CA GLU A 106 3.423 -9.649 2.319 1.00 31.10 C ATOM 1692 C GLU A 106 3.311 -10.137 0.877 1.00 71.25 C ATOM 1693 O GLU A 106 3.302 -11.331 0.579 1.00 21.54 O ATOM 1694 CB GLU A 106 3.349 -10.761 3.357 1.00 44.22 C ATOM 1695 CG GLU A 106 4.775 -11.223 3.686 1.00 2.21 C ATOM 1696 CD GLU A 106 4.836 -12.229 4.828 1.00 13.24 C ATOM 1697 OE1 GLU A 106 4.915 -11.793 6.001 1.00 64.51 O ATOM 1698 OE2 GLU A 106 5.027 -13.438 4.545 1.00 54.35 O ATOM 0 H GLU A 106 1.489 -8.966 2.736 1.00 15.23 H new ATOM 0 HA GLU A 106 4.423 -9.222 2.396 1.00 31.10 H new ATOM 0 HB2 GLU A 106 2.850 -10.404 4.258 1.00 44.22 H new ATOM 0 HB3 GLU A 106 2.760 -11.595 2.976 1.00 44.22 H new ATOM 0 HG2 GLU A 106 5.220 -11.668 2.796 1.00 2.21 H new ATOM 0 HG3 GLU A 106 5.380 -10.354 3.944 1.00 2.21 H new ATOM 1705 N LYS A 107 3.284 -9.190 -0.059 1.00 64.34 N ATOM 1706 CA LYS A 107 3.064 -9.456 -1.473 1.00 13.24 C ATOM 1707 C LYS A 107 1.729 -10.155 -1.723 1.00 71.53 C ATOM 1708 O LYS A 107 0.899 -10.177 -0.830 1.00 43.44 O ATOM 1709 CB LYS A 107 4.271 -10.224 -1.997 1.00 74.53 C ATOM 1710 CG LYS A 107 4.712 -9.663 -3.344 1.00 42.41 C ATOM 1711 CD LYS A 107 5.372 -8.269 -3.298 1.00 21.22 C ATOM 1712 CE LYS A 107 5.451 -7.619 -4.672 1.00 71.54 C ATOM 1713 NZ LYS A 107 6.617 -8.105 -5.440 1.00 0.11 N ATOM 0 H LYS A 107 3.417 -8.201 0.151 1.00 64.34 H new ATOM 0 HA LYS A 107 2.981 -8.522 -2.029 1.00 13.24 H new ATOM 0 HB2 LYS A 107 5.091 -10.158 -1.282 1.00 74.53 H new ATOM 0 HB3 LYS A 107 4.022 -11.280 -2.099 1.00 74.53 H new ATOM 0 HG2 LYS A 107 5.413 -10.363 -3.798 1.00 42.41 H new ATOM 0 HG3 LYS A 107 3.843 -9.613 -4.000 1.00 42.41 H new ATOM 0 HD2 LYS A 107 4.806 -7.624 -2.626 1.00 21.22 H new ATOM 0 HD3 LYS A 107 6.376 -8.359 -2.883 1.00 21.22 H new ATOM 0 HE2 LYS A 107 4.537 -7.829 -5.227 1.00 71.54 H new ATOM 0 HE3 LYS A 107 5.515 -6.537 -4.560 1.00 71.54 H new ATOM 0 HZ1 LYS A 107 7.089 -7.301 -5.900 1.00 0.11 H new ATOM 0 HZ2 LYS A 107 7.284 -8.576 -4.797 1.00 0.11 H new ATOM 0 HZ3 LYS A 107 6.299 -8.780 -6.164 1.00 0.11 H new ATOM 1727 N TYR A 108 1.423 -10.576 -2.952 1.00 43.03 N ATOM 1728 CA TYR A 108 0.125 -11.177 -3.253 1.00 44.13 C ATOM 1729 C TYR A 108 0.298 -12.681 -3.309 1.00 4.33 C ATOM 1730 O TYR A 108 0.838 -13.202 -4.290 1.00 33.24 O ATOM 1731 CB TYR A 108 -0.462 -10.609 -4.537 1.00 44.41 C ATOM 1732 CG TYR A 108 -1.907 -10.977 -4.790 1.00 34.13 C ATOM 1733 CD1 TYR A 108 -2.933 -10.221 -4.200 1.00 24.23 C ATOM 1734 CD2 TYR A 108 -2.228 -12.074 -5.609 1.00 61.42 C ATOM 1735 CE1 TYR A 108 -4.278 -10.536 -4.456 1.00 23.22 C ATOM 1736 CE2 TYR A 108 -3.571 -12.386 -5.890 1.00 34.53 C ATOM 1737 CZ TYR A 108 -4.603 -11.608 -5.314 1.00 23.14 C ATOM 1738 OH TYR A 108 -5.910 -11.885 -5.575 1.00 71.42 O ATOM 0 H TYR A 108 2.054 -10.512 -3.751 1.00 43.03 H new ATOM 0 HA TYR A 108 -0.592 -10.935 -2.468 1.00 44.13 H new ATOM 0 HB2 TYR A 108 -0.378 -9.523 -4.509 1.00 44.41 H new ATOM 0 HB3 TYR A 108 0.139 -10.954 -5.378 1.00 44.41 H new ATOM 0 HD1 TYR A 108 -2.688 -9.396 -3.548 1.00 24.23 H new ATOM 0 HD2 TYR A 108 -1.438 -12.681 -6.025 1.00 61.42 H new ATOM 0 HE1 TYR A 108 -5.064 -9.957 -3.995 1.00 23.22 H new ATOM 0 HE2 TYR A 108 -3.812 -13.213 -6.541 1.00 34.53 H new ATOM 0 HH TYR A 108 -5.967 -12.651 -6.184 1.00 71.42 H new ATOM 1748 N ASN A 109 -0.096 -13.356 -2.243 1.00 35.10 N ATOM 1749 CA ASN A 109 -0.338 -14.790 -2.156 1.00 21.54 C ATOM 1750 C ASN A 109 -1.287 -14.965 -0.980 1.00 74.53 C ATOM 1751 O ASN A 109 -1.152 -14.274 0.029 1.00 42.21 O ATOM 1752 CB ASN A 109 0.946 -15.635 -1.992 1.00 72.52 C ATOM 1753 CG ASN A 109 1.213 -16.527 -3.212 1.00 1.42 C ATOM 1754 OD1 ASN A 109 1.304 -17.744 -3.140 1.00 63.33 O ATOM 1755 ND2 ASN A 109 1.353 -15.944 -4.391 1.00 33.20 N ATOM 0 H ASN A 109 -0.268 -12.887 -1.354 1.00 35.10 H new ATOM 0 HA ASN A 109 -0.763 -15.158 -3.090 1.00 21.54 H new ATOM 0 HB2 ASN A 109 1.797 -14.973 -1.835 1.00 72.52 H new ATOM 0 HB3 ASN A 109 0.858 -16.257 -1.101 1.00 72.52 H new ATOM 0 HD21 ASN A 109 1.534 -16.509 -5.221 1.00 33.20 H new ATOM 0 HD22 ASN A 109 1.280 -14.930 -4.470 1.00 33.20 H new ATOM 1762 N ASP A 110 -2.296 -15.810 -1.177 1.00 72.33 N ATOM 1763 CA ASP A 110 -2.918 -16.540 -0.073 1.00 31.42 C ATOM 1764 C ASP A 110 -1.813 -17.427 0.501 1.00 21.50 C ATOM 1765 O ASP A 110 -1.719 -17.516 1.740 1.00 23.20 O ATOM 1766 CB ASP A 110 -4.126 -17.387 -0.528 1.00 52.21 C ATOM 1767 CG ASP A 110 -5.412 -16.580 -0.726 1.00 74.13 C ATOM 1768 OD1 ASP A 110 -6.135 -16.312 0.266 1.00 0.42 O ATOM 1769 OD2 ASP A 110 -5.685 -16.215 -1.898 1.00 55.25 O ATOM 0 H ASP A 110 -2.702 -16.007 -2.092 1.00 72.33 H new ATOM 0 HA ASP A 110 -3.320 -15.848 0.668 1.00 31.42 H new ATOM 0 HB2 ASP A 110 -3.875 -17.887 -1.464 1.00 52.21 H new ATOM 0 HB3 ASP A 110 -4.309 -18.167 0.211 1.00 52.21 H new TER 1774 ASP A 110