USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 765 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.593 K(o=-0.59,f=-7.4!) USER MOD Single : A 9 THR OG1 : rot -49:sc= 0.826 USER MOD Single : A 11 ASN : amide:sc= -7.07! C(o=-7.1!,f=-10!) USER MOD Single : A 13 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= -0.928 (180deg=-2.91!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.873 F(o=-8!,f=-0.87) USER MOD Single : A 25 GLN : amide:sc= -2.17 K(o=-2.2,f=-7.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -92:sc= 0.286 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= -0.158 (180deg=-0.764) USER MOD Single : A 33 MET CE :methyl -122:sc= 0 (180deg=-0.165) USER MOD Single : A 41 GLN : amide:sc= -5.28! C(o=-5.3!,f=-7.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.147 (180deg=-0.882) USER MOD Single : A 52 SER OG : rot 180:sc= -1.88 USER MOD Single : A 55 SER OG : rot 180:sc= -2.32! USER MOD Single : A 58 MET CE :methyl -159:sc= -1.56 (180deg=-2.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.0093) USER MOD Single : A 71 GLN : amide:sc= -3.09 X(o=-3.1,f=-2.6!) USER MOD Single : A 77 LYS NZ :NH3+ -129:sc= -1.08 (180deg=-2.77!) USER MOD Single : A 80 ASN : amide:sc= -0.24 K(o=-0.24,f=-3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.242 (180deg=-1.45!) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.31! C(o=-7.7!,f=-3.3!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -139:sc= 0.307 (180deg=-1.45!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.267 K(o=0.27,f=-1.5) USER MOD Single : A 103 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.129 -7.812 31.800 1.00 0.00 N ATOM 2 CA ALA A 1 -4.920 -7.086 32.288 1.00 0.00 C ATOM 3 C ALA A 1 -3.761 -8.070 32.449 1.00 0.00 C ATOM 4 O ALA A 1 -3.876 -9.073 33.127 1.00 0.00 O ATOM 5 CB ALA A 1 -5.224 -6.441 33.640 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.916 -7.141 31.691 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.921 -8.254 30.882 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.393 -8.547 32.487 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.647 -6.316 31.567 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.341 -5.911 33.997 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.050 -5.738 33.530 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.498 -7.214 34.358 1.00 0.00 H new ATOM 13 N ASP A 2 -2.643 -7.792 31.838 1.00 0.00 N ATOM 14 CA ASP A 2 -1.481 -8.716 31.969 1.00 0.00 C ATOM 15 C ASP A 2 -1.923 -10.129 31.576 1.00 0.00 C ATOM 16 O ASP A 2 -3.084 -10.371 31.314 1.00 0.00 O ATOM 17 CB ASP A 2 -0.998 -8.699 33.422 1.00 0.00 C ATOM 18 CG ASP A 2 0.403 -9.302 33.510 1.00 0.00 C ATOM 19 OD1 ASP A 2 1.349 -8.600 33.192 1.00 0.00 O ATOM 20 OD2 ASP A 2 0.508 -10.455 33.896 1.00 0.00 O ATOM 0 H ASP A 2 -2.484 -6.969 31.256 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.667 -8.401 31.316 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.988 -7.676 33.799 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.687 -9.264 34.050 1.00 0.00 H new ATOM 25 N LEU A 3 -1.013 -11.067 31.528 1.00 0.00 N ATOM 26 CA LEU A 3 -1.397 -12.458 31.145 1.00 0.00 C ATOM 27 C LEU A 3 -1.860 -13.221 32.401 1.00 0.00 C ATOM 28 O LEU A 3 -3.040 -13.444 32.580 1.00 0.00 O ATOM 29 CB LEU A 3 -0.205 -13.157 30.468 1.00 0.00 C ATOM 30 CG LEU A 3 0.520 -12.158 29.557 1.00 0.00 C ATOM 31 CD1 LEU A 3 1.608 -12.885 28.759 1.00 0.00 C ATOM 32 CD2 LEU A 3 -0.488 -11.512 28.590 1.00 0.00 C ATOM 0 H LEU A 3 -0.024 -10.931 31.737 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.222 -12.438 30.433 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.481 -13.543 31.222 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.552 -14.011 29.886 1.00 0.00 H new ATOM 0 HG LEU A 3 0.980 -11.381 30.168 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.122 -12.174 28.112 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.325 -13.334 29.447 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.152 -13.665 28.150 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.030 -10.803 27.944 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.953 -12.286 27.979 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.256 -10.989 29.160 1.00 0.00 H new ATOM 44 N GLU A 4 -0.958 -13.595 33.279 1.00 0.00 N ATOM 45 CA GLU A 4 -1.360 -14.317 34.530 1.00 0.00 C ATOM 46 C GLU A 4 -2.164 -15.586 34.209 1.00 0.00 C ATOM 47 O GLU A 4 -2.881 -15.637 33.239 1.00 0.00 O ATOM 48 CB GLU A 4 -2.222 -13.399 35.399 1.00 0.00 C ATOM 49 CG GLU A 4 -1.492 -12.078 35.635 1.00 0.00 C ATOM 50 CD GLU A 4 -2.173 -11.317 36.775 1.00 0.00 C ATOM 51 OE1 GLU A 4 -3.144 -11.831 37.306 1.00 0.00 O ATOM 52 OE2 GLU A 4 -1.711 -10.235 37.098 1.00 0.00 O ATOM 0 H GLU A 4 0.044 -13.430 33.182 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.450 -14.601 35.058 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.179 -13.214 34.911 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.438 -13.882 36.352 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.447 -12.266 35.882 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.501 -11.477 34.726 1.00 0.00 H new ATOM 59 N ASP A 5 -2.054 -16.587 35.058 1.00 0.00 N ATOM 60 CA ASP A 5 -2.806 -17.881 34.885 1.00 0.00 C ATOM 61 C ASP A 5 -2.640 -18.456 33.468 1.00 0.00 C ATOM 62 O ASP A 5 -2.123 -19.542 33.294 1.00 0.00 O ATOM 63 CB ASP A 5 -4.287 -17.662 35.218 1.00 0.00 C ATOM 64 CG ASP A 5 -4.979 -16.878 34.102 1.00 0.00 C ATOM 65 OD1 ASP A 5 -5.451 -17.507 33.170 1.00 0.00 O ATOM 66 OD2 ASP A 5 -5.033 -15.663 34.203 1.00 0.00 O ATOM 0 H ASP A 5 -1.459 -16.561 35.886 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.387 -18.615 35.574 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.781 -18.624 35.354 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.377 -17.121 36.160 1.00 0.00 H new ATOM 71 N ASN A 6 -3.058 -17.738 32.461 1.00 0.00 N ATOM 72 CA ASN A 6 -2.914 -18.207 31.055 1.00 0.00 C ATOM 73 C ASN A 6 -3.562 -19.580 30.860 1.00 0.00 C ATOM 74 O ASN A 6 -3.772 -20.333 31.790 1.00 0.00 O ATOM 75 CB ASN A 6 -1.426 -18.289 30.712 1.00 0.00 C ATOM 76 CG ASN A 6 -0.879 -16.896 30.410 1.00 0.00 C ATOM 77 OD1 ASN A 6 -1.356 -15.914 30.941 1.00 0.00 O ATOM 78 ND2 ASN A 6 0.118 -16.774 29.578 1.00 0.00 N ATOM 0 H ASN A 6 -3.503 -16.825 32.558 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.418 -17.500 30.396 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.877 -18.731 31.543 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.279 -18.940 29.851 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.500 -15.851 29.371 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.516 -17.602 29.134 1.00 0.00 H new ATOM 85 N ASP A 7 -3.861 -19.904 29.630 1.00 0.00 N ATOM 86 CA ASP A 7 -4.480 -21.218 29.297 1.00 0.00 C ATOM 87 C ASP A 7 -3.843 -21.726 27.998 1.00 0.00 C ATOM 88 O ASP A 7 -3.571 -22.900 27.842 1.00 0.00 O ATOM 89 CB ASP A 7 -5.990 -21.040 29.104 1.00 0.00 C ATOM 90 CG ASP A 7 -6.638 -22.397 28.823 1.00 0.00 C ATOM 91 OD1 ASP A 7 -5.972 -23.401 29.014 1.00 0.00 O ATOM 92 OD2 ASP A 7 -7.790 -22.410 28.423 1.00 0.00 O ATOM 0 H ASP A 7 -3.698 -19.299 28.825 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.314 -21.934 30.102 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.430 -20.594 29.996 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.182 -20.356 28.277 1.00 0.00 H new ATOM 97 N GLU A 8 -3.587 -20.837 27.071 1.00 0.00 N ATOM 98 CA GLU A 8 -2.946 -21.244 25.787 1.00 0.00 C ATOM 99 C GLU A 8 -1.427 -21.272 25.967 1.00 0.00 C ATOM 100 O GLU A 8 -0.689 -21.469 25.025 1.00 0.00 O ATOM 101 CB GLU A 8 -3.282 -20.228 24.692 1.00 0.00 C ATOM 102 CG GLU A 8 -4.796 -20.028 24.611 1.00 0.00 C ATOM 103 CD GLU A 8 -5.473 -21.365 24.316 1.00 0.00 C ATOM 104 OE1 GLU A 8 -5.623 -21.685 23.148 1.00 0.00 O ATOM 105 OE2 GLU A 8 -5.830 -22.048 25.261 1.00 0.00 O ATOM 0 H GLU A 8 -3.796 -19.842 27.151 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.315 -22.230 25.504 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.792 -19.278 24.904 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.901 -20.576 23.732 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.170 -19.619 25.549 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.037 -19.307 23.830 1.00 0.00 H new ATOM 112 N THR A 9 -0.957 -21.044 27.167 1.00 0.00 N ATOM 113 CA THR A 9 0.512 -21.026 27.426 1.00 0.00 C ATOM 114 C THR A 9 1.225 -20.239 26.326 1.00 0.00 C ATOM 115 O THR A 9 2.400 -20.415 26.080 1.00 0.00 O ATOM 116 CB THR A 9 1.074 -22.458 27.533 1.00 0.00 C ATOM 117 OG1 THR A 9 2.450 -22.390 27.884 1.00 0.00 O ATOM 118 CG2 THR A 9 0.932 -23.227 26.212 1.00 0.00 C ATOM 0 H THR A 9 -1.537 -20.868 27.987 1.00 0.00 H new ATOM 0 HA THR A 9 0.691 -20.532 28.381 1.00 0.00 H new ATOM 0 HB THR A 9 0.504 -22.989 28.295 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.908 -21.758 27.291 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.340 -24.231 26.330 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.122 -23.293 25.941 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.477 -22.704 25.426 1.00 0.00 H new ATOM 126 N GLY A 10 0.513 -19.367 25.666 1.00 0.00 N ATOM 127 CA GLY A 10 1.132 -18.551 24.576 1.00 0.00 C ATOM 128 C GLY A 10 0.441 -17.186 24.507 1.00 0.00 C ATOM 129 O GLY A 10 0.949 -16.195 24.990 1.00 0.00 O ATOM 0 H GLY A 10 -0.476 -19.182 25.834 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.198 -18.422 24.764 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.037 -19.068 23.621 1.00 0.00 H new ATOM 133 N ASN A 11 -0.719 -17.134 23.914 1.00 0.00 N ATOM 134 CA ASN A 11 -1.463 -15.845 23.813 1.00 0.00 C ATOM 135 C ASN A 11 -0.563 -14.752 23.216 1.00 0.00 C ATOM 136 O ASN A 11 -0.939 -13.600 23.149 1.00 0.00 O ATOM 137 CB ASN A 11 -1.963 -15.440 25.215 1.00 0.00 C ATOM 138 CG ASN A 11 -0.909 -14.603 25.955 1.00 0.00 C ATOM 139 OD1 ASN A 11 -0.197 -15.108 26.802 1.00 0.00 O ATOM 140 ND2 ASN A 11 -0.782 -13.336 25.663 1.00 0.00 N ATOM 0 H ASN A 11 -1.188 -17.935 23.491 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.320 -15.969 23.150 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.887 -14.870 25.125 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.195 -16.334 25.794 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.085 -12.769 26.146 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.380 -12.914 24.952 1.00 0.00 H new ATOM 147 N ASP A 12 0.619 -15.100 22.784 1.00 0.00 N ATOM 148 CA ASP A 12 1.531 -14.076 22.192 1.00 0.00 C ATOM 149 C ASP A 12 2.362 -14.718 21.084 1.00 0.00 C ATOM 150 O ASP A 12 3.451 -14.277 20.774 1.00 0.00 O ATOM 151 CB ASP A 12 2.457 -13.520 23.273 1.00 0.00 C ATOM 152 CG ASP A 12 1.632 -12.735 24.291 1.00 0.00 C ATOM 153 OD1 ASP A 12 1.002 -11.768 23.895 1.00 0.00 O ATOM 154 OD2 ASP A 12 1.641 -13.115 25.450 1.00 0.00 O ATOM 0 H ASP A 12 0.994 -16.048 22.815 1.00 0.00 H new ATOM 0 HA ASP A 12 0.938 -13.261 21.777 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.987 -14.334 23.768 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.212 -12.874 22.824 1.00 0.00 H new ATOM 159 N ASN A 13 1.849 -15.750 20.475 1.00 0.00 N ATOM 160 CA ASN A 13 2.598 -16.415 19.378 1.00 0.00 C ATOM 161 C ASN A 13 2.394 -15.605 18.100 1.00 0.00 C ATOM 162 O ASN A 13 3.254 -14.856 17.683 1.00 0.00 O ATOM 163 CB ASN A 13 2.058 -17.833 19.171 1.00 0.00 C ATOM 164 CG ASN A 13 2.553 -18.741 20.297 1.00 0.00 C ATOM 165 OD1 ASN A 13 2.959 -18.271 21.342 1.00 0.00 O ATOM 166 ND2 ASN A 13 2.535 -20.035 20.128 1.00 0.00 N ATOM 0 H ASN A 13 0.941 -16.161 20.692 1.00 0.00 H new ATOM 0 HA ASN A 13 3.657 -16.471 19.628 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.968 -17.819 19.154 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.387 -18.221 18.207 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.861 -20.651 20.872 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.194 -20.430 19.251 1.00 0.00 H new ATOM 173 N GLY A 14 1.256 -15.747 17.482 1.00 0.00 N ATOM 174 CA GLY A 14 0.988 -14.982 16.234 1.00 0.00 C ATOM 175 C GLY A 14 2.043 -15.341 15.193 1.00 0.00 C ATOM 176 O GLY A 14 2.756 -14.493 14.695 1.00 0.00 O ATOM 0 H GLY A 14 0.500 -16.360 17.787 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.008 -15.215 15.856 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.009 -13.911 16.437 1.00 0.00 H new ATOM 180 N LYS A 15 2.151 -16.598 14.863 1.00 0.00 N ATOM 181 CA LYS A 15 3.160 -17.028 13.858 1.00 0.00 C ATOM 182 C LYS A 15 2.555 -16.910 12.457 1.00 0.00 C ATOM 183 O LYS A 15 3.255 -16.909 11.465 1.00 0.00 O ATOM 184 CB LYS A 15 3.539 -18.484 14.139 1.00 0.00 C ATOM 185 CG LYS A 15 2.276 -19.266 14.509 1.00 0.00 C ATOM 186 CD LYS A 15 2.578 -20.766 14.537 1.00 0.00 C ATOM 187 CE LYS A 15 2.764 -21.329 13.108 1.00 0.00 C ATOM 188 NZ LYS A 15 4.145 -21.876 12.979 1.00 0.00 N ATOM 0 H LYS A 15 1.580 -17.349 15.249 1.00 0.00 H new ATOM 0 HA LYS A 15 4.048 -16.399 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.012 -18.926 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.264 -18.534 14.951 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.910 -18.942 15.483 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.486 -19.059 13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.480 -20.947 15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.765 -21.294 15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.030 -22.110 12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.599 -20.544 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.279 -22.257 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.836 -21.118 13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.284 -22.635 13.676 1.00 0.00 H new ATOM 202 N GLY A 16 1.256 -16.792 12.373 1.00 0.00 N ATOM 203 CA GLY A 16 0.590 -16.654 11.041 1.00 0.00 C ATOM 204 C GLY A 16 0.354 -15.169 10.764 1.00 0.00 C ATOM 205 O GLY A 16 -0.584 -14.791 10.090 1.00 0.00 O ATOM 0 H GLY A 16 0.623 -16.785 13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.213 -17.090 10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.356 -17.195 11.033 1.00 0.00 H new ATOM 209 N GLY A 17 1.192 -14.322 11.299 1.00 0.00 N ATOM 210 CA GLY A 17 1.018 -12.855 11.093 1.00 0.00 C ATOM 211 C GLY A 17 1.688 -12.420 9.791 1.00 0.00 C ATOM 212 O GLY A 17 1.043 -11.933 8.884 1.00 0.00 O ATOM 0 H GLY A 17 1.993 -14.585 11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.043 -12.608 11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.449 -12.309 11.932 1.00 0.00 H new ATOM 216 N GLU A 18 2.983 -12.579 9.687 1.00 0.00 N ATOM 217 CA GLU A 18 3.687 -12.158 8.439 1.00 0.00 C ATOM 218 C GLU A 18 4.893 -13.066 8.189 1.00 0.00 C ATOM 219 O GLU A 18 5.991 -12.604 7.942 1.00 0.00 O ATOM 220 CB GLU A 18 4.157 -10.708 8.590 1.00 0.00 C ATOM 221 CG GLU A 18 4.473 -10.122 7.213 1.00 0.00 C ATOM 222 CD GLU A 18 4.902 -8.661 7.368 1.00 0.00 C ATOM 223 OE1 GLU A 18 4.110 -7.884 7.874 1.00 0.00 O ATOM 224 OE2 GLU A 18 6.013 -8.345 6.976 1.00 0.00 O ATOM 0 H GLU A 18 3.581 -12.980 10.409 1.00 0.00 H new ATOM 0 HA GLU A 18 3.003 -12.236 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.385 -10.115 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.042 -10.667 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.266 -10.697 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.597 -10.189 6.568 1.00 0.00 H new ATOM 231 N LYS A 19 4.702 -14.353 8.247 1.00 0.00 N ATOM 232 CA LYS A 19 5.836 -15.286 8.006 1.00 0.00 C ATOM 233 C LYS A 19 6.088 -15.416 6.504 1.00 0.00 C ATOM 234 O LYS A 19 5.393 -14.841 5.691 1.00 0.00 O ATOM 235 CB LYS A 19 5.493 -16.669 8.570 1.00 0.00 C ATOM 236 CG LYS A 19 4.401 -17.330 7.711 1.00 0.00 C ATOM 237 CD LYS A 19 3.833 -18.549 8.447 1.00 0.00 C ATOM 238 CE LYS A 19 4.925 -19.613 8.636 1.00 0.00 C ATOM 239 NZ LYS A 19 5.689 -19.328 9.885 1.00 0.00 N ATOM 0 H LYS A 19 3.808 -14.800 8.451 1.00 0.00 H new ATOM 0 HA LYS A 19 6.727 -14.895 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.384 -17.296 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.150 -16.576 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.605 -16.615 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.815 -17.634 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.439 -18.246 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.001 -18.968 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.476 -20.604 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.598 -19.615 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.669 -19.076 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.243 -18.537 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.689 -20.172 10.492 1.00 0.00 H new ATOM 253 N ALA A 20 7.057 -16.207 6.136 1.00 0.00 N ATOM 254 CA ALA A 20 7.342 -16.434 4.696 1.00 0.00 C ATOM 255 C ALA A 20 6.546 -17.664 4.250 1.00 0.00 C ATOM 256 O ALA A 20 7.104 -18.702 3.956 1.00 0.00 O ATOM 257 CB ALA A 20 8.840 -16.684 4.505 1.00 0.00 C ATOM 0 H ALA A 20 7.668 -16.710 6.779 1.00 0.00 H new ATOM 0 HA ALA A 20 7.057 -15.564 4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.049 -16.851 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.401 -15.817 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.138 -17.563 5.077 1.00 0.00 H new ATOM 263 N ASP A 21 5.241 -17.558 4.198 1.00 0.00 N ATOM 264 CA ASP A 21 4.418 -18.722 3.774 1.00 0.00 C ATOM 265 C ASP A 21 4.495 -18.808 2.266 1.00 0.00 C ATOM 266 O ASP A 21 3.891 -19.651 1.635 1.00 0.00 O ATOM 267 CB ASP A 21 2.964 -18.510 4.198 1.00 0.00 C ATOM 268 CG ASP A 21 2.129 -19.730 3.802 1.00 0.00 C ATOM 269 OD1 ASP A 21 2.714 -20.717 3.389 1.00 0.00 O ATOM 270 OD2 ASP A 21 0.918 -19.655 3.920 1.00 0.00 O ATOM 0 H ASP A 21 4.715 -16.716 4.431 1.00 0.00 H new ATOM 0 HA ASP A 21 4.785 -19.639 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.908 -18.353 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.564 -17.614 3.724 1.00 0.00 H new ATOM 275 N ASN A 22 5.244 -17.921 1.690 1.00 0.00 N ATOM 276 CA ASN A 22 5.388 -17.899 0.217 1.00 0.00 C ATOM 277 C ASN A 22 4.001 -17.753 -0.420 1.00 0.00 C ATOM 278 O ASN A 22 3.215 -18.678 -0.413 1.00 0.00 O ATOM 279 CB ASN A 22 6.059 -19.208 -0.264 1.00 0.00 C ATOM 280 CG ASN A 22 7.542 -18.973 -0.569 1.00 0.00 C ATOM 281 OD1 ASN A 22 7.882 -18.106 -1.484 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 8.399 -19.588 0.032 1.00 0.00 N flip ATOM 0 H ASN A 22 5.770 -17.200 2.184 1.00 0.00 H new ATOM 0 HA ASN A 22 6.013 -17.057 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.957 -19.978 0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.553 -19.576 -1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.134 -20.265 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.384 -19.427 -0.178 1.00 0.00 H new ATOM 289 N ALA A 23 3.727 -16.592 -0.966 1.00 0.00 N ATOM 290 CA ALA A 23 2.414 -16.298 -1.648 1.00 0.00 C ATOM 291 C ALA A 23 1.449 -15.593 -0.693 1.00 0.00 C ATOM 292 O ALA A 23 0.846 -14.600 -1.047 1.00 0.00 O ATOM 293 CB ALA A 23 1.756 -17.578 -2.189 1.00 0.00 C ATOM 0 H ALA A 23 4.378 -15.807 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 23 2.633 -15.640 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.813 -17.325 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.420 -18.051 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.568 -18.267 -1.365 1.00 0.00 H new ATOM 299 N ALA A 24 1.286 -16.074 0.503 1.00 0.00 N ATOM 300 CA ALA A 24 0.343 -15.392 1.435 1.00 0.00 C ATOM 301 C ALA A 24 0.851 -13.973 1.715 1.00 0.00 C ATOM 302 O ALA A 24 0.226 -12.996 1.352 1.00 0.00 O ATOM 303 CB ALA A 24 0.249 -16.180 2.747 1.00 0.00 C ATOM 0 H ALA A 24 1.756 -16.899 0.876 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.647 -15.342 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.441 -15.677 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.113 -17.187 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.235 -16.236 3.209 1.00 0.00 H new ATOM 309 N GLN A 25 1.974 -13.859 2.360 1.00 0.00 N ATOM 310 CA GLN A 25 2.528 -12.509 2.671 1.00 0.00 C ATOM 311 C GLN A 25 2.749 -11.712 1.375 1.00 0.00 C ATOM 312 O GLN A 25 3.002 -10.523 1.403 1.00 0.00 O ATOM 313 CB GLN A 25 3.855 -12.677 3.435 1.00 0.00 C ATOM 314 CG GLN A 25 5.018 -13.018 2.466 1.00 0.00 C ATOM 315 CD GLN A 25 5.755 -11.733 2.048 1.00 0.00 C ATOM 316 OE1 GLN A 25 5.404 -11.125 1.057 1.00 0.00 O ATOM 317 NE2 GLN A 25 6.762 -11.286 2.757 1.00 0.00 N ATOM 0 H GLN A 25 2.537 -14.644 2.688 1.00 0.00 H new ATOM 0 HA GLN A 25 1.821 -11.957 3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.085 -11.759 3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.753 -13.468 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.714 -13.704 2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.629 -13.526 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.063 -11.791 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.245 -10.433 2.475 1.00 0.00 H new ATOM 326 N VAL A 26 2.673 -12.359 0.244 1.00 0.00 N ATOM 327 CA VAL A 26 2.898 -11.645 -1.049 1.00 0.00 C ATOM 328 C VAL A 26 1.699 -10.756 -1.406 1.00 0.00 C ATOM 329 O VAL A 26 1.805 -9.551 -1.404 1.00 0.00 O ATOM 330 CB VAL A 26 3.139 -12.666 -2.155 1.00 0.00 C ATOM 331 CG1 VAL A 26 3.608 -11.959 -3.431 1.00 0.00 C ATOM 332 CG2 VAL A 26 4.219 -13.634 -1.687 1.00 0.00 C ATOM 0 H VAL A 26 2.464 -13.354 0.158 1.00 0.00 H new ATOM 0 HA VAL A 26 3.772 -11.003 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 26 2.214 -13.201 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.777 -12.697 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.845 -11.252 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.536 -11.424 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.407 -14.374 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.137 -13.083 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.887 -14.138 -0.779 1.00 0.00 H new ATOM 342 N LYS A 27 0.563 -11.325 -1.723 1.00 0.00 N ATOM 343 CA LYS A 27 -0.598 -10.465 -2.090 1.00 0.00 C ATOM 344 C LYS A 27 -0.921 -9.542 -0.920 1.00 0.00 C ATOM 345 O LYS A 27 -1.289 -8.401 -1.103 1.00 0.00 O ATOM 346 CB LYS A 27 -1.815 -11.341 -2.409 1.00 0.00 C ATOM 347 CG LYS A 27 -2.182 -12.217 -1.188 1.00 0.00 C ATOM 348 CD LYS A 27 -2.829 -13.531 -1.656 1.00 0.00 C ATOM 349 CE LYS A 27 -1.753 -14.551 -2.067 1.00 0.00 C ATOM 350 NZ LYS A 27 -2.326 -15.491 -3.071 1.00 0.00 N ATOM 0 H LYS A 27 0.392 -12.330 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.350 -9.872 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.663 -10.712 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.599 -11.976 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.288 -12.431 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.868 -11.677 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.443 -13.945 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.493 -13.336 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.888 -14.036 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.404 -15.102 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.602 -16.183 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.139 -15.990 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.638 -14.958 -3.907 1.00 0.00 H new ATOM 364 N ASP A 28 -0.765 -10.019 0.280 1.00 0.00 N ATOM 365 CA ASP A 28 -1.042 -9.154 1.458 1.00 0.00 C ATOM 366 C ASP A 28 -0.137 -7.918 1.395 1.00 0.00 C ATOM 367 O ASP A 28 -0.557 -6.817 1.686 1.00 0.00 O ATOM 368 CB ASP A 28 -0.759 -9.939 2.738 1.00 0.00 C ATOM 369 CG ASP A 28 -1.697 -11.145 2.808 1.00 0.00 C ATOM 370 OD1 ASP A 28 -1.978 -11.714 1.766 1.00 0.00 O ATOM 371 OD2 ASP A 28 -2.120 -11.479 3.902 1.00 0.00 O ATOM 0 H ASP A 28 -0.459 -10.967 0.497 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.086 -8.840 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.279 -10.270 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.903 -9.300 3.610 1.00 0.00 H new ATOM 376 N ALA A 29 1.101 -8.093 1.008 1.00 0.00 N ATOM 377 CA ALA A 29 2.034 -6.938 0.916 1.00 0.00 C ATOM 378 C ALA A 29 1.538 -5.982 -0.154 1.00 0.00 C ATOM 379 O ALA A 29 1.399 -4.795 0.070 1.00 0.00 O ATOM 380 CB ALA A 29 3.435 -7.440 0.557 1.00 0.00 C ATOM 0 H ALA A 29 1.505 -8.994 0.751 1.00 0.00 H new ATOM 0 HA ALA A 29 2.076 -6.420 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.119 -6.594 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.784 -8.128 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.402 -7.957 -0.402 1.00 0.00 H new ATOM 386 N LEU A 30 1.270 -6.482 -1.322 1.00 0.00 N ATOM 387 CA LEU A 30 0.783 -5.598 -2.398 1.00 0.00 C ATOM 388 C LEU A 30 -0.512 -4.926 -1.939 1.00 0.00 C ATOM 389 O LEU A 30 -0.629 -3.717 -1.918 1.00 0.00 O ATOM 390 CB LEU A 30 0.545 -6.433 -3.656 1.00 0.00 C ATOM 391 CG LEU A 30 1.778 -7.304 -3.923 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.544 -8.138 -5.184 1.00 0.00 C ATOM 393 CD2 LEU A 30 3.015 -6.413 -4.116 1.00 0.00 C ATOM 0 H LEU A 30 1.368 -7.465 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 30 1.518 -4.826 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.338 -7.060 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.353 -5.782 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 30 1.945 -7.965 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.419 -8.759 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.671 -8.775 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.375 -7.475 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.888 -7.038 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.855 -5.747 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.181 -5.821 -3.216 1.00 0.00 H new ATOM 405 N THR A 31 -1.480 -5.705 -1.554 1.00 0.00 N ATOM 406 CA THR A 31 -2.770 -5.130 -1.084 1.00 0.00 C ATOM 407 C THR A 31 -2.534 -4.218 0.129 1.00 0.00 C ATOM 408 O THR A 31 -3.230 -3.241 0.319 1.00 0.00 O ATOM 409 CB THR A 31 -3.707 -6.269 -0.682 1.00 0.00 C ATOM 410 OG1 THR A 31 -2.978 -7.225 0.068 1.00 0.00 O ATOM 411 CG2 THR A 31 -4.287 -6.938 -1.931 1.00 0.00 C ATOM 0 H THR A 31 -1.434 -6.724 -1.544 1.00 0.00 H new ATOM 0 HA THR A 31 -3.214 -4.543 -1.888 1.00 0.00 H new ATOM 0 HB THR A 31 -4.524 -5.869 -0.082 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.629 -7.916 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.953 -7.748 -1.634 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.845 -6.203 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.476 -7.340 -2.538 1.00 0.00 H new ATOM 419 N LYS A 32 -1.575 -4.533 0.961 1.00 0.00 N ATOM 420 CA LYS A 32 -1.329 -3.678 2.159 1.00 0.00 C ATOM 421 C LYS A 32 -0.982 -2.259 1.711 1.00 0.00 C ATOM 422 O LYS A 32 -1.576 -1.298 2.158 1.00 0.00 O ATOM 423 CB LYS A 32 -0.179 -4.262 2.997 1.00 0.00 C ATOM 424 CG LYS A 32 0.170 -3.319 4.181 1.00 0.00 C ATOM 425 CD LYS A 32 1.458 -2.532 3.889 1.00 0.00 C ATOM 426 CE LYS A 32 1.877 -1.743 5.135 1.00 0.00 C ATOM 427 NZ LYS A 32 0.673 -1.168 5.797 1.00 0.00 N ATOM 0 H LYS A 32 -0.957 -5.338 0.864 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.230 -3.651 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.462 -5.243 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.700 -4.405 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.653 -2.626 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.294 -3.903 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.254 -3.216 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.298 -1.851 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.408 -2.396 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.566 -0.946 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.949 -0.339 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.017 -0.881 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.245 -1.882 6.420 1.00 0.00 H new ATOM 441 N MET A 33 -0.034 -2.112 0.826 1.00 0.00 N ATOM 442 CA MET A 33 0.323 -0.744 0.357 1.00 0.00 C ATOM 443 C MET A 33 -0.893 -0.109 -0.317 1.00 0.00 C ATOM 444 O MET A 33 -1.132 1.076 -0.198 1.00 0.00 O ATOM 445 CB MET A 33 1.475 -0.823 -0.650 1.00 0.00 C ATOM 446 CG MET A 33 2.662 -1.549 -0.010 1.00 0.00 C ATOM 447 SD MET A 33 4.162 -1.224 -0.971 1.00 0.00 S ATOM 448 CE MET A 33 3.806 -2.334 -2.357 1.00 0.00 C ATOM 0 H MET A 33 0.504 -2.873 0.411 1.00 0.00 H new ATOM 0 HA MET A 33 0.632 -0.140 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.153 -1.351 -1.547 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.772 0.179 -0.959 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.796 -1.212 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.468 -2.621 0.029 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.611 -3.063 -2.456 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.866 -2.854 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.727 -1.754 -3.277 1.00 0.00 H new ATOM 458 N ARG A 34 -1.668 -0.886 -1.027 1.00 0.00 N ATOM 459 CA ARG A 34 -2.864 -0.315 -1.704 1.00 0.00 C ATOM 460 C ARG A 34 -3.790 0.329 -0.663 1.00 0.00 C ATOM 461 O ARG A 34 -4.142 1.487 -0.762 1.00 0.00 O ATOM 462 CB ARG A 34 -3.613 -1.433 -2.442 1.00 0.00 C ATOM 463 CG ARG A 34 -4.977 -0.918 -2.907 1.00 0.00 C ATOM 464 CD ARG A 34 -5.554 -1.853 -3.973 1.00 0.00 C ATOM 465 NE ARG A 34 -6.922 -1.388 -4.338 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.899 -1.499 -3.478 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.692 -2.086 -2.333 1.00 0.00 N ATOM 468 NH2 ARG A 34 -9.085 -1.036 -3.767 1.00 0.00 N ATOM 0 H ARG A 34 -1.524 -1.886 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.549 0.445 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.030 -1.771 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.743 -2.293 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.659 -0.855 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.876 0.089 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.912 -1.861 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.592 -2.875 -3.596 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.095 -0.984 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.769 -2.458 -2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.453 -2.174 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.251 -0.586 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.845 -1.125 -3.093 1.00 0.00 H new ATOM 482 N ALA A 35 -4.204 -0.421 0.318 1.00 0.00 N ATOM 483 CA ALA A 35 -5.128 0.130 1.353 1.00 0.00 C ATOM 484 C ALA A 35 -4.486 1.315 2.081 1.00 0.00 C ATOM 485 O ALA A 35 -5.167 2.222 2.514 1.00 0.00 O ATOM 486 CB ALA A 35 -5.458 -0.962 2.372 1.00 0.00 C ATOM 0 H ALA A 35 -3.942 -1.398 0.450 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.037 0.472 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.133 -0.562 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.937 -1.800 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.540 -1.304 2.849 1.00 0.00 H new ATOM 492 N ALA A 36 -3.191 1.321 2.239 1.00 0.00 N ATOM 493 CA ALA A 36 -2.550 2.459 2.960 1.00 0.00 C ATOM 494 C ALA A 36 -2.849 3.770 2.236 1.00 0.00 C ATOM 495 O ALA A 36 -3.280 4.734 2.837 1.00 0.00 O ATOM 496 CB ALA A 36 -1.037 2.256 3.028 1.00 0.00 C ATOM 0 H ALA A 36 -2.555 0.597 1.905 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.954 2.500 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.581 3.093 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.818 1.329 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.632 2.201 2.018 1.00 0.00 H new ATOM 502 N ALA A 37 -2.618 3.824 0.952 1.00 0.00 N ATOM 503 CA ALA A 37 -2.886 5.086 0.213 1.00 0.00 C ATOM 504 C ALA A 37 -4.377 5.428 0.311 1.00 0.00 C ATOM 505 O ALA A 37 -4.738 6.566 0.502 1.00 0.00 O ATOM 506 CB ALA A 37 -2.460 4.913 -1.262 1.00 0.00 C ATOM 0 H ALA A 37 -2.258 3.054 0.388 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.313 5.904 0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.655 5.836 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.396 4.682 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.028 4.099 -1.712 1.00 0.00 H new ATOM 512 N LEU A 38 -5.244 4.456 0.179 1.00 0.00 N ATOM 513 CA LEU A 38 -6.705 4.752 0.261 1.00 0.00 C ATOM 514 C LEU A 38 -7.066 5.253 1.663 1.00 0.00 C ATOM 515 O LEU A 38 -7.836 6.179 1.822 1.00 0.00 O ATOM 516 CB LEU A 38 -7.512 3.488 -0.046 1.00 0.00 C ATOM 517 CG LEU A 38 -7.304 3.053 -1.509 1.00 0.00 C ATOM 518 CD1 LEU A 38 -8.114 1.778 -1.778 1.00 0.00 C ATOM 519 CD2 LEU A 38 -7.770 4.165 -2.472 1.00 0.00 C ATOM 0 H LEU A 38 -5.005 3.477 0.019 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.944 5.524 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.208 2.684 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.571 3.673 0.137 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.243 2.864 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.970 1.467 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.777 0.985 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.172 1.975 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.616 3.842 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.829 4.367 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.195 5.072 -2.286 1.00 0.00 H new ATOM 531 N ASP A 39 -6.531 4.638 2.678 1.00 0.00 N ATOM 532 CA ASP A 39 -6.854 5.069 4.071 1.00 0.00 C ATOM 533 C ASP A 39 -6.431 6.525 4.295 1.00 0.00 C ATOM 534 O ASP A 39 -7.223 7.363 4.669 1.00 0.00 O ATOM 535 CB ASP A 39 -6.111 4.177 5.068 1.00 0.00 C ATOM 536 CG ASP A 39 -6.724 4.344 6.460 1.00 0.00 C ATOM 537 OD1 ASP A 39 -6.325 5.264 7.154 1.00 0.00 O ATOM 538 OD2 ASP A 39 -7.581 3.548 6.807 1.00 0.00 O ATOM 0 H ASP A 39 -5.883 3.854 2.606 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.930 4.983 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.172 3.135 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.054 4.441 5.091 1.00 0.00 H new ATOM 543 N ALA A 40 -5.182 6.822 4.092 1.00 0.00 N ATOM 544 CA ALA A 40 -4.704 8.215 4.316 1.00 0.00 C ATOM 545 C ALA A 40 -5.327 9.153 3.282 1.00 0.00 C ATOM 546 O ALA A 40 -5.168 10.356 3.349 1.00 0.00 O ATOM 547 CB ALA A 40 -3.177 8.257 4.198 1.00 0.00 C ATOM 0 H ALA A 40 -4.469 6.162 3.781 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.000 8.540 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.827 9.276 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.736 7.597 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.880 7.927 3.203 1.00 0.00 H new ATOM 553 N GLN A 41 -6.027 8.618 2.323 1.00 0.00 N ATOM 554 CA GLN A 41 -6.644 9.477 1.283 1.00 0.00 C ATOM 555 C GLN A 41 -7.739 10.341 1.910 1.00 0.00 C ATOM 556 O GLN A 41 -7.626 10.818 3.020 1.00 0.00 O ATOM 557 CB GLN A 41 -7.240 8.571 0.187 1.00 0.00 C ATOM 558 CG GLN A 41 -7.077 9.211 -1.203 1.00 0.00 C ATOM 559 CD GLN A 41 -5.686 8.885 -1.763 1.00 0.00 C ATOM 560 OE1 GLN A 41 -4.854 9.757 -1.900 1.00 0.00 O ATOM 561 NE2 GLN A 41 -5.397 7.651 -2.079 1.00 0.00 N ATOM 0 H GLN A 41 -6.198 7.618 2.216 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.893 10.135 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.746 7.599 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.297 8.395 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.848 8.839 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.208 10.291 -1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.097 6.918 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.472 7.421 -2.441 1.00 0.00 H new ATOM 570 N LYS A 42 -8.800 10.521 1.188 1.00 0.00 N ATOM 571 CA LYS A 42 -9.942 11.332 1.691 1.00 0.00 C ATOM 572 C LYS A 42 -10.700 10.533 2.751 1.00 0.00 C ATOM 573 O LYS A 42 -11.905 10.389 2.695 1.00 0.00 O ATOM 574 CB LYS A 42 -10.881 11.667 0.531 1.00 0.00 C ATOM 575 CG LYS A 42 -10.184 12.629 -0.437 1.00 0.00 C ATOM 576 CD LYS A 42 -11.117 12.929 -1.616 1.00 0.00 C ATOM 577 CE LYS A 42 -12.369 13.677 -1.132 1.00 0.00 C ATOM 578 NZ LYS A 42 -12.891 14.523 -2.241 1.00 0.00 N ATOM 0 H LYS A 42 -8.931 10.135 0.253 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.569 12.257 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.168 10.755 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.797 12.119 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.921 13.553 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.254 12.189 -0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.592 13.529 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.407 11.999 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.131 12.967 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.126 14.297 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.739 15.032 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.163 15.209 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.136 13.920 -3.052 1.00 0.00 H new ATOM 592 N ALA A 43 -10.001 10.023 3.726 1.00 0.00 N ATOM 593 CA ALA A 43 -10.652 9.242 4.812 1.00 0.00 C ATOM 594 C ALA A 43 -9.911 9.585 6.095 1.00 0.00 C ATOM 595 O ALA A 43 -8.842 9.075 6.362 1.00 0.00 O ATOM 596 CB ALA A 43 -10.545 7.745 4.525 1.00 0.00 C ATOM 0 H ALA A 43 -8.989 10.117 3.817 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.711 9.486 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.025 7.185 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.039 7.520 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.495 7.461 4.463 1.00 0.00 H new ATOM 602 N THR A 44 -10.445 10.488 6.864 1.00 0.00 N ATOM 603 CA THR A 44 -9.748 10.916 8.097 1.00 0.00 C ATOM 604 C THR A 44 -8.309 11.304 7.713 1.00 0.00 C ATOM 605 O THR A 44 -7.354 10.699 8.147 1.00 0.00 O ATOM 606 CB THR A 44 -9.779 9.758 9.105 1.00 0.00 C ATOM 607 OG1 THR A 44 -11.057 9.727 9.724 1.00 0.00 O ATOM 608 CG2 THR A 44 -8.699 9.917 10.194 1.00 0.00 C ATOM 0 H THR A 44 -11.338 10.948 6.688 1.00 0.00 H new ATOM 0 HA THR A 44 -10.231 11.776 8.561 1.00 0.00 H new ATOM 0 HB THR A 44 -9.580 8.831 8.566 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.090 8.990 10.369 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.755 9.077 10.887 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.714 9.939 9.729 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.864 10.847 10.737 1.00 0.00 H new ATOM 616 N PRO A 45 -8.165 12.316 6.888 1.00 0.00 N ATOM 617 CA PRO A 45 -6.831 12.802 6.426 1.00 0.00 C ATOM 618 C PRO A 45 -5.826 12.946 7.583 1.00 0.00 C ATOM 619 O PRO A 45 -5.915 13.878 8.360 1.00 0.00 O ATOM 620 CB PRO A 45 -7.148 14.175 5.821 1.00 0.00 C ATOM 621 CG PRO A 45 -8.545 14.046 5.317 1.00 0.00 C ATOM 622 CD PRO A 45 -9.263 13.117 6.301 1.00 0.00 C ATOM 0 HA PRO A 45 -6.363 12.108 5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.066 14.966 6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.457 14.423 5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.035 15.019 5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.560 13.633 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.801 13.680 7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.994 12.486 5.796 1.00 0.00 H new ATOM 630 N PRO A 46 -4.873 12.047 7.707 1.00 0.00 N ATOM 631 CA PRO A 46 -3.865 12.121 8.797 1.00 0.00 C ATOM 632 C PRO A 46 -2.695 13.050 8.445 1.00 0.00 C ATOM 633 O PRO A 46 -2.195 13.770 9.286 1.00 0.00 O ATOM 634 CB PRO A 46 -3.392 10.670 8.929 1.00 0.00 C ATOM 635 CG PRO A 46 -3.519 10.091 7.550 1.00 0.00 C ATOM 636 CD PRO A 46 -4.644 10.870 6.842 1.00 0.00 C ATOM 0 HA PRO A 46 -4.278 12.533 9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.362 10.622 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.002 10.120 9.645 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.581 10.185 7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.755 9.028 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.350 11.167 5.835 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.546 10.266 6.745 1.00 0.00 H new ATOM 644 N LYS A 47 -2.259 13.034 7.205 1.00 0.00 N ATOM 645 CA LYS A 47 -1.111 13.910 6.780 1.00 0.00 C ATOM 646 C LYS A 47 -1.571 14.923 5.727 1.00 0.00 C ATOM 647 O LYS A 47 -0.962 15.960 5.554 1.00 0.00 O ATOM 648 CB LYS A 47 0.009 13.055 6.171 1.00 0.00 C ATOM 649 CG LYS A 47 0.501 12.029 7.196 1.00 0.00 C ATOM 650 CD LYS A 47 1.843 11.425 6.735 1.00 0.00 C ATOM 651 CE LYS A 47 3.011 12.289 7.233 1.00 0.00 C ATOM 652 NZ LYS A 47 4.298 11.708 6.752 1.00 0.00 N ATOM 0 H LYS A 47 -2.649 12.450 6.465 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.744 14.435 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.356 12.545 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.835 13.693 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.622 12.504 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.240 11.239 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.944 10.409 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.867 11.360 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.902 13.311 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.005 12.335 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.090 12.292 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.401 10.740 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.302 11.686 5.712 1.00 0.00 H new ATOM 666 N LEU A 48 -2.620 14.635 5.004 1.00 0.00 N ATOM 667 CA LEU A 48 -3.076 15.598 3.956 1.00 0.00 C ATOM 668 C LEU A 48 -3.806 16.773 4.605 1.00 0.00 C ATOM 669 O LEU A 48 -4.243 17.690 3.941 1.00 0.00 O ATOM 670 CB LEU A 48 -4.015 14.889 2.963 1.00 0.00 C ATOM 671 CG LEU A 48 -3.213 14.154 1.868 1.00 0.00 C ATOM 672 CD1 LEU A 48 -2.685 12.823 2.408 1.00 0.00 C ATOM 673 CD2 LEU A 48 -4.126 13.876 0.669 1.00 0.00 C ATOM 0 H LEU A 48 -3.177 13.785 5.091 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.204 15.972 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.644 14.177 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.681 15.619 2.502 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.374 14.780 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.121 12.312 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.035 13.009 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.523 12.198 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.561 13.357 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.963 13.254 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.503 14.819 0.273 1.00 0.00 H new ATOM 685 N GLU A 49 -3.936 16.751 5.892 1.00 0.00 N ATOM 686 CA GLU A 49 -4.629 17.858 6.598 1.00 0.00 C ATOM 687 C GLU A 49 -3.593 18.927 6.936 1.00 0.00 C ATOM 688 O GLU A 49 -3.911 20.063 7.225 1.00 0.00 O ATOM 689 CB GLU A 49 -5.278 17.260 7.864 1.00 0.00 C ATOM 690 CG GLU A 49 -5.200 18.225 9.058 1.00 0.00 C ATOM 691 CD GLU A 49 -6.153 17.757 10.162 1.00 0.00 C ATOM 692 OE1 GLU A 49 -6.362 16.561 10.268 1.00 0.00 O ATOM 693 OE2 GLU A 49 -6.650 18.605 10.885 1.00 0.00 O ATOM 0 H GLU A 49 -3.589 16.006 6.496 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.406 18.322 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.321 17.020 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.780 16.325 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.179 18.267 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.463 19.234 8.740 1.00 0.00 H new ATOM 700 N ASP A 50 -2.358 18.558 6.887 1.00 0.00 N ATOM 701 CA ASP A 50 -1.270 19.518 7.191 1.00 0.00 C ATOM 702 C ASP A 50 -1.062 20.454 6.002 1.00 0.00 C ATOM 703 O ASP A 50 -0.121 21.222 5.963 1.00 0.00 O ATOM 704 CB ASP A 50 -0.004 18.706 7.461 1.00 0.00 C ATOM 705 CG ASP A 50 0.932 19.473 8.400 1.00 0.00 C ATOM 706 OD1 ASP A 50 0.647 19.515 9.585 1.00 0.00 O ATOM 707 OD2 ASP A 50 1.919 20.005 7.916 1.00 0.00 O ATOM 0 H ASP A 50 -2.046 17.617 6.646 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.518 20.128 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.268 17.746 7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.507 18.494 6.522 1.00 0.00 H new ATOM 712 N LYS A 51 -1.911 20.367 5.020 1.00 0.00 N ATOM 713 CA LYS A 51 -1.740 21.214 3.811 1.00 0.00 C ATOM 714 C LYS A 51 -3.103 21.500 3.179 1.00 0.00 C ATOM 715 O LYS A 51 -3.330 22.569 2.654 1.00 0.00 O ATOM 716 CB LYS A 51 -0.845 20.441 2.825 1.00 0.00 C ATOM 717 CG LYS A 51 0.634 20.799 3.040 1.00 0.00 C ATOM 718 CD LYS A 51 1.486 20.094 1.984 1.00 0.00 C ATOM 719 CE LYS A 51 2.964 20.424 2.211 1.00 0.00 C ATOM 720 NZ LYS A 51 3.349 20.058 3.604 1.00 0.00 N ATOM 0 H LYS A 51 -2.718 19.744 5.003 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.282 22.168 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.988 19.369 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.136 20.675 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.772 21.878 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.951 20.499 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.331 19.016 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.182 20.410 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.582 19.880 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.140 21.486 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.377 19.907 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.082 20.827 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.857 19.185 3.882 1.00 0.00 H new ATOM 734 N SER A 52 -4.018 20.568 3.205 1.00 0.00 N ATOM 735 CA SER A 52 -5.332 20.858 2.576 1.00 0.00 C ATOM 736 C SER A 52 -5.060 21.215 1.112 1.00 0.00 C ATOM 737 O SER A 52 -3.940 21.097 0.658 1.00 0.00 O ATOM 738 CB SER A 52 -5.961 22.039 3.334 1.00 0.00 C ATOM 739 OG SER A 52 -7.347 21.800 3.530 1.00 0.00 O ATOM 0 H SER A 52 -3.915 19.643 3.623 1.00 0.00 H new ATOM 0 HA SER A 52 -6.018 20.012 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.466 22.171 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.817 22.962 2.772 1.00 0.00 H new ATOM 0 HG SER A 52 -7.744 22.554 4.015 1.00 0.00 H new ATOM 745 N PRO A 53 -6.053 21.651 0.385 1.00 0.00 N ATOM 746 CA PRO A 53 -5.884 22.051 -1.047 1.00 0.00 C ATOM 747 C PRO A 53 -4.874 23.200 -1.186 1.00 0.00 C ATOM 748 O PRO A 53 -5.095 24.163 -1.896 1.00 0.00 O ATOM 749 CB PRO A 53 -7.300 22.487 -1.461 1.00 0.00 C ATOM 750 CG PRO A 53 -8.199 21.789 -0.497 1.00 0.00 C ATOM 751 CD PRO A 53 -7.447 21.796 0.822 1.00 0.00 C ATOM 0 HA PRO A 53 -5.490 21.250 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.416 23.569 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.520 22.199 -2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.156 22.303 -0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.413 20.771 -0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.606 22.721 1.376 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.757 20.978 1.472 1.00 0.00 H new ATOM 759 N ASP A 54 -3.766 23.092 -0.494 1.00 0.00 N ATOM 760 CA ASP A 54 -2.709 24.133 -0.530 1.00 0.00 C ATOM 761 C ASP A 54 -1.417 23.511 -1.064 1.00 0.00 C ATOM 762 O ASP A 54 -0.840 22.643 -0.440 1.00 0.00 O ATOM 763 CB ASP A 54 -2.468 24.656 0.896 1.00 0.00 C ATOM 764 CG ASP A 54 -1.727 25.994 0.831 1.00 0.00 C ATOM 765 OD1 ASP A 54 -0.506 25.973 0.829 1.00 0.00 O ATOM 766 OD2 ASP A 54 -2.391 27.015 0.779 1.00 0.00 O ATOM 0 H ASP A 54 -3.551 22.299 0.110 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.018 24.955 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.419 24.780 1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.885 23.933 1.466 1.00 0.00 H new ATOM 771 N SER A 55 -0.964 23.952 -2.207 1.00 0.00 N ATOM 772 CA SER A 55 0.302 23.415 -2.800 1.00 0.00 C ATOM 773 C SER A 55 0.001 22.090 -3.548 1.00 0.00 C ATOM 774 O SER A 55 -1.139 21.679 -3.633 1.00 0.00 O ATOM 775 CB SER A 55 1.365 23.222 -1.693 1.00 0.00 C ATOM 776 OG SER A 55 2.633 23.657 -2.164 1.00 0.00 O ATOM 0 H SER A 55 -1.422 24.672 -2.765 1.00 0.00 H new ATOM 0 HA SER A 55 0.706 24.126 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.084 23.786 -0.804 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.415 22.173 -1.403 1.00 0.00 H new ATOM 0 HG SER A 55 3.303 23.535 -1.460 1.00 0.00 H new ATOM 782 N PRO A 56 1.004 21.435 -4.108 1.00 0.00 N ATOM 783 CA PRO A 56 0.816 20.152 -4.880 1.00 0.00 C ATOM 784 C PRO A 56 0.105 19.036 -4.100 1.00 0.00 C ATOM 785 O PRO A 56 0.070 17.905 -4.541 1.00 0.00 O ATOM 786 CB PRO A 56 2.249 19.716 -5.223 1.00 0.00 C ATOM 787 CG PRO A 56 3.040 20.972 -5.200 1.00 0.00 C ATOM 788 CD PRO A 56 2.430 21.824 -4.091 1.00 0.00 C ATOM 0 HA PRO A 56 0.172 20.325 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.628 18.996 -4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.294 19.237 -6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.093 20.768 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.989 21.485 -6.161 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.892 21.618 -3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.559 22.889 -4.285 1.00 0.00 H new ATOM 796 N GLU A 57 -0.451 19.328 -2.955 1.00 0.00 N ATOM 797 CA GLU A 57 -1.151 18.255 -2.168 1.00 0.00 C ATOM 798 C GLU A 57 -2.013 17.403 -3.116 1.00 0.00 C ATOM 799 O GLU A 57 -1.922 16.192 -3.138 1.00 0.00 O ATOM 800 CB GLU A 57 -2.047 18.893 -1.089 1.00 0.00 C ATOM 801 CG GLU A 57 -2.910 17.818 -0.412 1.00 0.00 C ATOM 802 CD GLU A 57 -3.674 18.444 0.757 1.00 0.00 C ATOM 803 OE1 GLU A 57 -3.027 18.890 1.691 1.00 0.00 O ATOM 804 OE2 GLU A 57 -4.892 18.473 0.694 1.00 0.00 O ATOM 0 H GLU A 57 -0.455 20.254 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.406 17.623 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.430 19.396 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.686 19.652 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.609 17.391 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.281 17.002 -0.055 1.00 0.00 H new ATOM 811 N MET A 58 -2.844 18.034 -3.900 1.00 0.00 N ATOM 812 CA MET A 58 -3.716 17.281 -4.851 1.00 0.00 C ATOM 813 C MET A 58 -2.858 16.524 -5.872 1.00 0.00 C ATOM 814 O MET A 58 -3.162 15.409 -6.253 1.00 0.00 O ATOM 815 CB MET A 58 -4.614 18.273 -5.593 1.00 0.00 C ATOM 816 CG MET A 58 -5.734 17.523 -6.313 1.00 0.00 C ATOM 817 SD MET A 58 -6.867 18.722 -7.063 1.00 0.00 S ATOM 818 CE MET A 58 -8.368 17.718 -6.963 1.00 0.00 C ATOM 0 H MET A 58 -2.958 19.047 -3.924 1.00 0.00 H new ATOM 0 HA MET A 58 -4.320 16.566 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.038 18.990 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.025 18.843 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.317 16.870 -7.080 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.272 16.886 -5.611 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.100 18.085 -7.683 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.127 16.679 -7.188 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.784 17.784 -5.958 1.00 0.00 H new ATOM 828 N LYS A 59 -1.803 17.134 -6.340 1.00 0.00 N ATOM 829 CA LYS A 59 -0.941 16.473 -7.360 1.00 0.00 C ATOM 830 C LYS A 59 -0.309 15.199 -6.789 1.00 0.00 C ATOM 831 O LYS A 59 -0.517 14.118 -7.305 1.00 0.00 O ATOM 832 CB LYS A 59 0.164 17.445 -7.797 1.00 0.00 C ATOM 833 CG LYS A 59 -0.455 18.776 -8.276 1.00 0.00 C ATOM 834 CD LYS A 59 -0.858 18.678 -9.767 1.00 0.00 C ATOM 835 CE LYS A 59 0.261 19.231 -10.664 1.00 0.00 C ATOM 836 NZ LYS A 59 -0.201 19.256 -12.081 1.00 0.00 N ATOM 0 H LYS A 59 -1.500 18.066 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.556 16.200 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.845 17.630 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.753 17.000 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.330 19.016 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.260 19.587 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.061 17.639 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.779 19.236 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.536 20.236 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.154 18.612 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.557 19.630 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.442 18.291 -12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.041 19.864 -12.162 1.00 0.00 H new ATOM 850 N ASP A 60 0.458 15.295 -5.735 1.00 0.00 N ATOM 851 CA ASP A 60 1.079 14.061 -5.175 1.00 0.00 C ATOM 852 C ASP A 60 -0.017 13.036 -4.911 1.00 0.00 C ATOM 853 O ASP A 60 0.213 11.849 -4.935 1.00 0.00 O ATOM 854 CB ASP A 60 1.807 14.380 -3.863 1.00 0.00 C ATOM 855 CG ASP A 60 1.013 15.420 -3.072 1.00 0.00 C ATOM 856 OD1 ASP A 60 0.034 15.041 -2.450 1.00 0.00 O ATOM 857 OD2 ASP A 60 1.397 16.578 -3.099 1.00 0.00 O ATOM 0 H ASP A 60 0.679 16.162 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 60 1.802 13.664 -5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.925 13.472 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.808 14.756 -4.074 1.00 0.00 H new ATOM 862 N PHE A 61 -1.213 13.483 -4.670 1.00 0.00 N ATOM 863 CA PHE A 61 -2.311 12.533 -4.421 1.00 0.00 C ATOM 864 C PHE A 61 -2.677 11.886 -5.751 1.00 0.00 C ATOM 865 O PHE A 61 -2.688 10.680 -5.879 1.00 0.00 O ATOM 866 CB PHE A 61 -3.495 13.300 -3.799 1.00 0.00 C ATOM 867 CG PHE A 61 -4.817 12.600 -4.040 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.885 11.204 -4.070 1.00 0.00 C ATOM 869 CD2 PHE A 61 -5.981 13.358 -4.218 1.00 0.00 C ATOM 870 CE1 PHE A 61 -6.110 10.564 -4.285 1.00 0.00 C ATOM 871 CE2 PHE A 61 -7.207 12.718 -4.434 1.00 0.00 C ATOM 872 CZ PHE A 61 -7.271 11.322 -4.467 1.00 0.00 C ATOM 0 H PHE A 61 -1.473 14.469 -4.636 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.023 11.747 -3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.333 13.408 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.536 14.305 -4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.989 10.618 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.933 14.437 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.159 9.485 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.104 13.303 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.217 10.829 -4.633 1.00 0.00 H new ATOM 882 N ARG A 62 -2.971 12.672 -6.745 1.00 0.00 N ATOM 883 CA ARG A 62 -3.341 12.080 -8.052 1.00 0.00 C ATOM 884 C ARG A 62 -2.169 11.278 -8.630 1.00 0.00 C ATOM 885 O ARG A 62 -2.285 10.098 -8.895 1.00 0.00 O ATOM 886 CB ARG A 62 -3.747 13.186 -9.037 1.00 0.00 C ATOM 887 CG ARG A 62 -5.090 13.837 -8.600 1.00 0.00 C ATOM 888 CD ARG A 62 -5.948 14.168 -9.827 1.00 0.00 C ATOM 889 NE ARG A 62 -6.899 15.263 -9.486 1.00 0.00 N ATOM 890 CZ ARG A 62 -7.884 15.551 -10.293 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.028 14.892 -11.411 1.00 0.00 N ATOM 892 NH2 ARG A 62 -8.729 16.498 -9.986 1.00 0.00 N ATOM 0 H ARG A 62 -2.971 13.691 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.185 11.408 -7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.966 13.945 -9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.847 12.770 -10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.633 13.159 -7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.893 14.745 -8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.311 14.470 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.496 13.283 -10.150 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.780 15.789 -8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.371 14.151 -11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.798 15.118 -12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.621 17.015 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.497 16.721 -10.619 1.00 0.00 H new ATOM 906 N HIS A 63 -1.051 11.911 -8.850 1.00 0.00 N ATOM 907 CA HIS A 63 0.118 11.190 -9.436 1.00 0.00 C ATOM 908 C HIS A 63 0.635 10.105 -8.471 1.00 0.00 C ATOM 909 O HIS A 63 1.007 9.027 -8.884 1.00 0.00 O ATOM 910 CB HIS A 63 1.237 12.210 -9.722 1.00 0.00 C ATOM 911 CG HIS A 63 2.127 11.745 -10.854 1.00 0.00 C ATOM 912 ND1 HIS A 63 3.116 12.559 -11.383 1.00 0.00 N ATOM 913 CD2 HIS A 63 2.192 10.569 -11.570 1.00 0.00 C ATOM 914 CE1 HIS A 63 3.724 11.877 -12.368 1.00 0.00 C ATOM 915 NE2 HIS A 63 3.200 10.659 -12.524 1.00 0.00 N ATOM 0 H HIS A 63 -0.894 12.899 -8.650 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.191 10.701 -10.360 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.797 13.175 -9.975 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.835 12.358 -8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.557 9.709 -11.414 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.538 12.267 -12.962 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.479 9.947 -13.199 1.00 0.00 H new ATOM 923 N GLY A 64 0.692 10.396 -7.200 1.00 0.00 N ATOM 924 CA GLY A 64 1.228 9.402 -6.214 1.00 0.00 C ATOM 925 C GLY A 64 0.320 8.166 -6.082 1.00 0.00 C ATOM 926 O GLY A 64 0.768 7.048 -6.247 1.00 0.00 O ATOM 0 H GLY A 64 0.390 11.283 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.225 9.087 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.333 9.879 -5.240 1.00 0.00 H new ATOM 930 N PHE A 65 -0.934 8.341 -5.760 1.00 0.00 N ATOM 931 CA PHE A 65 -1.826 7.150 -5.591 1.00 0.00 C ATOM 932 C PHE A 65 -1.892 6.368 -6.911 1.00 0.00 C ATOM 933 O PHE A 65 -2.125 5.176 -6.920 1.00 0.00 O ATOM 934 CB PHE A 65 -3.239 7.606 -5.103 1.00 0.00 C ATOM 935 CG PHE A 65 -4.314 7.422 -6.165 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.738 6.135 -6.519 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.893 8.540 -6.782 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.734 5.970 -7.489 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.888 8.373 -7.750 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.309 7.088 -8.104 1.00 0.00 C ATOM 0 H PHE A 65 -1.379 9.246 -5.607 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.421 6.484 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.512 7.039 -4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.197 8.656 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.297 5.271 -6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.569 9.533 -6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.059 4.977 -7.763 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.331 9.236 -8.224 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.077 6.958 -8.852 1.00 0.00 H new ATOM 950 N ASP A 66 -1.661 7.011 -8.018 1.00 0.00 N ATOM 951 CA ASP A 66 -1.691 6.270 -9.308 1.00 0.00 C ATOM 952 C ASP A 66 -0.462 5.370 -9.381 1.00 0.00 C ATOM 953 O ASP A 66 -0.537 4.226 -9.782 1.00 0.00 O ATOM 954 CB ASP A 66 -1.682 7.254 -10.479 1.00 0.00 C ATOM 955 CG ASP A 66 -1.527 6.480 -11.791 1.00 0.00 C ATOM 956 OD1 ASP A 66 -2.539 6.089 -12.348 1.00 0.00 O ATOM 957 OD2 ASP A 66 -0.397 6.288 -12.215 1.00 0.00 O ATOM 0 H ASP A 66 -1.455 8.007 -8.087 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.598 5.669 -9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.607 7.831 -10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.864 7.965 -10.365 1.00 0.00 H new ATOM 962 N ILE A 67 0.668 5.874 -8.987 1.00 0.00 N ATOM 963 CA ILE A 67 1.898 5.043 -9.024 1.00 0.00 C ATOM 964 C ILE A 67 1.708 3.832 -8.111 1.00 0.00 C ATOM 965 O ILE A 67 1.830 2.710 -8.537 1.00 0.00 O ATOM 966 CB ILE A 67 3.095 5.886 -8.583 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.322 6.996 -9.621 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.343 5.004 -8.500 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.224 8.084 -9.031 1.00 0.00 C ATOM 0 H ILE A 67 0.794 6.825 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 67 2.087 4.688 -10.037 1.00 0.00 H new ATOM 0 HB ILE A 67 2.901 6.322 -7.603 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.779 6.579 -10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.367 7.426 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.195 5.607 -8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.177 4.206 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.548 4.570 -9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.381 8.868 -9.772 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.750 8.510 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.184 7.649 -8.754 1.00 0.00 H new ATOM 981 N LEU A 68 1.386 4.048 -6.864 1.00 0.00 N ATOM 982 CA LEU A 68 1.183 2.894 -5.940 1.00 0.00 C ATOM 983 C LEU A 68 0.140 1.957 -6.562 1.00 0.00 C ATOM 984 O LEU A 68 0.368 0.779 -6.713 1.00 0.00 O ATOM 985 CB LEU A 68 0.686 3.419 -4.565 1.00 0.00 C ATOM 986 CG LEU A 68 1.820 3.373 -3.529 1.00 0.00 C ATOM 987 CD1 LEU A 68 2.940 4.339 -3.924 1.00 0.00 C ATOM 988 CD2 LEU A 68 1.270 3.785 -2.170 1.00 0.00 C ATOM 0 H LEU A 68 1.255 4.969 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 68 2.117 2.353 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.322 4.441 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.154 2.815 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 68 2.220 2.360 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.736 4.296 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.337 4.056 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.545 5.354 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.069 3.755 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.870 4.797 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.476 3.098 -1.875 1.00 0.00 H new ATOM 1000 N VAL A 69 -0.988 2.460 -6.949 1.00 0.00 N ATOM 1001 CA VAL A 69 -2.005 1.569 -7.572 1.00 0.00 C ATOM 1002 C VAL A 69 -1.406 0.938 -8.843 1.00 0.00 C ATOM 1003 O VAL A 69 -1.717 -0.183 -9.196 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.264 2.405 -7.895 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -4.092 1.750 -9.015 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -4.119 2.526 -6.627 1.00 0.00 C ATOM 0 H VAL A 69 -1.254 3.441 -6.865 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.289 0.765 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.952 3.392 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.972 2.360 -9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.485 1.671 -9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.406 0.755 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.010 3.114 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.413 1.532 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.541 3.018 -5.844 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.556 1.652 -9.529 1.00 0.00 N ATOM 1017 CA GLY A 70 0.061 1.108 -10.779 1.00 0.00 C ATOM 1018 C GLY A 70 1.003 -0.075 -10.486 1.00 0.00 C ATOM 1019 O GLY A 70 0.858 -1.143 -11.048 1.00 0.00 O ATOM 0 H GLY A 70 -0.259 2.595 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.725 0.786 -11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.617 1.898 -11.283 1.00 0.00 H new ATOM 1023 N GLN A 71 1.990 0.115 -9.646 1.00 0.00 N ATOM 1024 CA GLN A 71 2.970 -0.985 -9.359 1.00 0.00 C ATOM 1025 C GLN A 71 2.288 -2.122 -8.596 1.00 0.00 C ATOM 1026 O GLN A 71 2.563 -3.281 -8.832 1.00 0.00 O ATOM 1027 CB GLN A 71 4.170 -0.430 -8.542 1.00 0.00 C ATOM 1028 CG GLN A 71 3.794 0.921 -7.932 1.00 0.00 C ATOM 1029 CD GLN A 71 4.777 1.307 -6.829 1.00 0.00 C ATOM 1030 OE1 GLN A 71 5.720 0.591 -6.559 1.00 0.00 O ATOM 1031 NE2 GLN A 71 4.590 2.424 -6.175 1.00 0.00 N ATOM 0 H GLN A 71 2.162 0.986 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 71 3.341 -1.379 -10.305 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.443 -1.133 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.042 -0.319 -9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.790 1.687 -8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.784 0.874 -7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.797 3.023 -6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.237 2.696 -5.435 1.00 0.00 H new ATOM 1040 N ILE A 72 1.409 -1.816 -7.694 1.00 0.00 N ATOM 1041 CA ILE A 72 0.737 -2.909 -6.949 1.00 0.00 C ATOM 1042 C ILE A 72 -0.028 -3.755 -7.960 1.00 0.00 C ATOM 1043 O ILE A 72 -0.028 -4.967 -7.900 1.00 0.00 O ATOM 1044 CB ILE A 72 -0.218 -2.298 -5.916 1.00 0.00 C ATOM 1045 CG1 ILE A 72 0.606 -1.430 -4.945 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -0.954 -3.407 -5.122 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -0.309 -0.473 -4.174 1.00 0.00 C ATOM 0 H ILE A 72 1.128 -0.869 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 72 1.459 -3.532 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.966 -1.694 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.146 -2.068 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.352 -0.861 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.626 -2.950 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.530 -4.025 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.224 -4.027 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.289 0.132 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.829 0.178 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.038 -1.048 -3.603 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.655 -3.123 -8.906 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.388 -3.893 -9.935 1.00 0.00 C ATOM 1061 C ASP A 73 -0.367 -4.699 -10.740 1.00 0.00 C ATOM 1062 O ASP A 73 -0.547 -5.874 -10.997 1.00 0.00 O ATOM 1063 CB ASP A 73 -2.133 -2.919 -10.857 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.878 -3.700 -11.939 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -3.107 -4.879 -11.740 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -3.210 -3.100 -12.950 1.00 0.00 O ATOM 0 H ASP A 73 -0.691 -2.109 -9.010 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.112 -4.565 -9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.836 -2.321 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.428 -2.226 -11.316 1.00 0.00 H new ATOM 1071 N ASP A 74 0.709 -4.070 -11.135 1.00 0.00 N ATOM 1072 CA ASP A 74 1.758 -4.784 -11.920 1.00 0.00 C ATOM 1073 C ASP A 74 2.450 -5.862 -11.071 1.00 0.00 C ATOM 1074 O ASP A 74 2.814 -6.911 -11.563 1.00 0.00 O ATOM 1075 CB ASP A 74 2.810 -3.782 -12.383 1.00 0.00 C ATOM 1076 CG ASP A 74 2.122 -2.575 -13.021 1.00 0.00 C ATOM 1077 OD1 ASP A 74 0.972 -2.710 -13.406 1.00 0.00 O ATOM 1078 OD2 ASP A 74 2.757 -1.538 -13.120 1.00 0.00 O ATOM 0 H ASP A 74 0.907 -3.087 -10.946 1.00 0.00 H new ATOM 0 HA ASP A 74 1.277 -5.262 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.419 -3.462 -11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.483 -4.251 -13.101 1.00 0.00 H new ATOM 1083 N ALA A 75 2.674 -5.595 -9.812 1.00 0.00 N ATOM 1084 CA ALA A 75 3.383 -6.588 -8.956 1.00 0.00 C ATOM 1085 C ALA A 75 2.486 -7.788 -8.663 1.00 0.00 C ATOM 1086 O ALA A 75 2.954 -8.899 -8.510 1.00 0.00 O ATOM 1087 CB ALA A 75 3.793 -5.927 -7.641 1.00 0.00 C ATOM 0 H ALA A 75 2.397 -4.734 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 75 4.268 -6.936 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.311 -6.653 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.456 -5.087 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.904 -5.569 -7.121 1.00 0.00 H new ATOM 1093 N LEU A 76 1.205 -7.582 -8.565 1.00 0.00 N ATOM 1094 CA LEU A 76 0.304 -8.725 -8.262 1.00 0.00 C ATOM 1095 C LEU A 76 0.282 -9.685 -9.454 1.00 0.00 C ATOM 1096 O LEU A 76 0.420 -10.881 -9.295 1.00 0.00 O ATOM 1097 CB LEU A 76 -1.110 -8.195 -7.970 1.00 0.00 C ATOM 1098 CG LEU A 76 -2.051 -9.354 -7.528 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -2.964 -8.890 -6.384 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.924 -9.806 -8.711 1.00 0.00 C ATOM 0 H LEU A 76 0.745 -6.679 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 76 0.666 -9.263 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.066 -7.437 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.513 -7.711 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.434 -10.186 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.617 -9.710 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.355 -8.582 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.569 -8.048 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.578 -10.617 -8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.528 -8.968 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.285 -10.154 -9.523 1.00 0.00 H new ATOM 1112 N LYS A 77 0.128 -9.182 -10.650 1.00 0.00 N ATOM 1113 CA LYS A 77 0.123 -10.099 -11.827 1.00 0.00 C ATOM 1114 C LYS A 77 1.458 -10.847 -11.864 1.00 0.00 C ATOM 1115 O LYS A 77 1.509 -12.027 -12.144 1.00 0.00 O ATOM 1116 CB LYS A 77 -0.075 -9.320 -13.141 1.00 0.00 C ATOM 1117 CG LYS A 77 0.972 -8.208 -13.270 1.00 0.00 C ATOM 1118 CD LYS A 77 0.933 -7.590 -14.668 1.00 0.00 C ATOM 1119 CE LYS A 77 1.335 -8.627 -15.737 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.115 -9.312 -16.252 1.00 0.00 N ATOM 0 H LYS A 77 0.007 -8.192 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.706 -10.800 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.002 -10.000 -13.989 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.076 -8.890 -13.168 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.786 -7.438 -12.521 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.965 -8.612 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.069 -7.215 -14.877 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.608 -6.736 -14.712 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.861 -8.136 -16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.022 -9.358 -15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.251 -10.342 -16.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.705 -9.046 -15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.053 -9.027 -17.238 1.00 0.00 H new ATOM 1134 N LEU A 78 2.537 -10.172 -11.572 1.00 0.00 N ATOM 1135 CA LEU A 78 3.855 -10.850 -11.579 1.00 0.00 C ATOM 1136 C LEU A 78 3.788 -11.997 -10.574 1.00 0.00 C ATOM 1137 O LEU A 78 4.148 -13.115 -10.869 1.00 0.00 O ATOM 1138 CB LEU A 78 4.953 -9.838 -11.185 1.00 0.00 C ATOM 1139 CG LEU A 78 6.284 -10.165 -11.889 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.714 -11.598 -11.546 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.146 -9.999 -13.424 1.00 0.00 C ATOM 0 H LEU A 78 2.558 -9.181 -11.330 1.00 0.00 H new ATOM 0 HA LEU A 78 4.094 -11.239 -12.569 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.635 -8.830 -11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.096 -9.853 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 78 7.046 -9.469 -11.538 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.656 -11.825 -12.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.844 -11.691 -10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.948 -12.298 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.097 -10.235 -13.902 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.376 -10.675 -13.795 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.868 -8.971 -13.655 1.00 0.00 H new ATOM 1153 N ALA A 79 3.290 -11.733 -9.399 1.00 0.00 N ATOM 1154 CA ALA A 79 3.166 -12.822 -8.397 1.00 0.00 C ATOM 1155 C ALA A 79 2.301 -13.924 -9.005 1.00 0.00 C ATOM 1156 O ALA A 79 2.622 -15.089 -8.936 1.00 0.00 O ATOM 1157 CB ALA A 79 2.500 -12.281 -7.133 1.00 0.00 C ATOM 0 H ALA A 79 2.966 -10.816 -9.092 1.00 0.00 H new ATOM 0 HA ALA A 79 4.149 -13.213 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.410 -13.081 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.106 -11.475 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.509 -11.900 -7.379 1.00 0.00 H new ATOM 1163 N ASN A 80 1.211 -13.562 -9.620 1.00 0.00 N ATOM 1164 CA ASN A 80 0.344 -14.591 -10.261 1.00 0.00 C ATOM 1165 C ASN A 80 1.150 -15.327 -11.335 1.00 0.00 C ATOM 1166 O ASN A 80 1.509 -16.478 -11.192 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.852 -13.909 -10.913 1.00 0.00 C ATOM 1168 CG ASN A 80 -1.732 -13.300 -9.826 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -1.336 -13.207 -8.681 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -2.920 -12.884 -10.142 1.00 0.00 N ATOM 0 H ASN A 80 0.882 -12.600 -9.707 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.004 -15.299 -9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.514 -13.134 -11.601 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.422 -14.629 -11.499 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.525 -12.477 -9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.249 -12.964 -11.104 1.00 0.00 H new ATOM 1177 N GLU A 81 1.421 -14.651 -12.419 1.00 0.00 N ATOM 1178 CA GLU A 81 2.193 -15.256 -13.545 1.00 0.00 C ATOM 1179 C GLU A 81 3.662 -15.477 -13.137 1.00 0.00 C ATOM 1180 O GLU A 81 4.494 -15.805 -13.958 1.00 0.00 O ATOM 1181 CB GLU A 81 2.098 -14.283 -14.736 1.00 0.00 C ATOM 1182 CG GLU A 81 3.023 -14.694 -15.894 1.00 0.00 C ATOM 1183 CD GLU A 81 2.952 -16.207 -16.127 1.00 0.00 C ATOM 1184 OE1 GLU A 81 1.872 -16.687 -16.430 1.00 0.00 O ATOM 1185 OE2 GLU A 81 3.977 -16.857 -16.004 1.00 0.00 O ATOM 0 H GLU A 81 1.134 -13.685 -12.575 1.00 0.00 H new ATOM 0 HA GLU A 81 1.784 -16.230 -13.813 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.068 -14.245 -15.091 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.358 -13.278 -14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.734 -14.166 -16.803 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.049 -14.403 -15.669 1.00 0.00 H new ATOM 1192 N GLY A 82 3.996 -15.310 -11.877 1.00 0.00 N ATOM 1193 CA GLY A 82 5.419 -15.510 -11.441 1.00 0.00 C ATOM 1194 C GLY A 82 5.473 -16.214 -10.086 1.00 0.00 C ATOM 1195 O GLY A 82 4.484 -16.351 -9.401 1.00 0.00 O ATOM 0 H GLY A 82 3.349 -15.045 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.953 -16.101 -12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.924 -14.546 -11.376 1.00 0.00 H new ATOM 1199 N LYS A 83 6.635 -16.652 -9.690 1.00 0.00 N ATOM 1200 CA LYS A 83 6.765 -17.329 -8.372 1.00 0.00 C ATOM 1201 C LYS A 83 6.782 -16.252 -7.287 1.00 0.00 C ATOM 1202 O LYS A 83 6.405 -15.121 -7.518 1.00 0.00 O ATOM 1203 CB LYS A 83 8.082 -18.115 -8.317 1.00 0.00 C ATOM 1204 CG LYS A 83 8.001 -19.386 -9.180 1.00 0.00 C ATOM 1205 CD LYS A 83 9.056 -20.397 -8.704 1.00 0.00 C ATOM 1206 CE LYS A 83 8.863 -21.727 -9.434 1.00 0.00 C ATOM 1207 NZ LYS A 83 9.651 -22.792 -8.746 1.00 0.00 N ATOM 0 H LYS A 83 7.501 -16.570 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 83 5.933 -18.018 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.900 -17.485 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.306 -18.385 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.005 -19.823 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.167 -19.138 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.057 -20.009 -8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.971 -20.546 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.807 -21.995 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.185 -21.635 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.520 -23.696 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.659 -22.537 -8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.324 -22.886 -7.763 1.00 0.00 H new ATOM 1221 N VAL A 84 7.240 -16.583 -6.111 1.00 0.00 N ATOM 1222 CA VAL A 84 7.301 -15.572 -5.026 1.00 0.00 C ATOM 1223 C VAL A 84 8.635 -14.846 -5.143 1.00 0.00 C ATOM 1224 O VAL A 84 8.743 -13.657 -4.909 1.00 0.00 O ATOM 1225 CB VAL A 84 7.196 -16.271 -3.667 1.00 0.00 C ATOM 1226 CG1 VAL A 84 7.444 -15.256 -2.539 1.00 0.00 C ATOM 1227 CG2 VAL A 84 5.795 -16.893 -3.522 1.00 0.00 C ATOM 0 H VAL A 84 7.575 -17.513 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 84 6.478 -14.862 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 84 7.947 -17.058 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.368 -15.758 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.440 -14.827 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.700 -14.462 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.716 -17.392 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.040 -16.109 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.635 -17.619 -4.319 1.00 0.00 H new ATOM 1237 N LYS A 85 9.649 -15.567 -5.526 1.00 0.00 N ATOM 1238 CA LYS A 85 10.990 -14.962 -5.693 1.00 0.00 C ATOM 1239 C LYS A 85 10.912 -13.903 -6.800 1.00 0.00 C ATOM 1240 O LYS A 85 11.369 -12.792 -6.642 1.00 0.00 O ATOM 1241 CB LYS A 85 11.967 -16.083 -6.072 1.00 0.00 C ATOM 1242 CG LYS A 85 13.390 -15.543 -6.250 1.00 0.00 C ATOM 1243 CD LYS A 85 14.008 -15.195 -4.886 1.00 0.00 C ATOM 1244 CE LYS A 85 15.519 -14.979 -5.038 1.00 0.00 C ATOM 1245 NZ LYS A 85 16.140 -16.178 -5.670 1.00 0.00 N ATOM 0 H LYS A 85 9.601 -16.565 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 85 11.333 -14.481 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.961 -16.851 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.638 -16.559 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.006 -16.286 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.372 -14.657 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.542 -14.295 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.816 -15.998 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.710 -14.096 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.969 -14.797 -4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.161 -16.186 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.704 -17.039 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.989 -16.146 -6.698 1.00 0.00 H new ATOM 1259 N GLU A 86 10.323 -14.233 -7.917 1.00 0.00 N ATOM 1260 CA GLU A 86 10.207 -13.231 -9.014 1.00 0.00 C ATOM 1261 C GLU A 86 9.354 -12.054 -8.529 1.00 0.00 C ATOM 1262 O GLU A 86 9.588 -10.915 -8.886 1.00 0.00 O ATOM 1263 CB GLU A 86 9.537 -13.877 -10.231 1.00 0.00 C ATOM 1264 CG GLU A 86 10.219 -15.207 -10.550 1.00 0.00 C ATOM 1265 CD GLU A 86 11.689 -14.964 -10.890 1.00 0.00 C ATOM 1266 OE1 GLU A 86 11.997 -13.883 -11.364 1.00 0.00 O ATOM 1267 OE2 GLU A 86 12.483 -15.863 -10.670 1.00 0.00 O ATOM 0 H GLU A 86 9.919 -15.148 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 86 11.200 -12.878 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.478 -14.039 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.601 -13.209 -11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.140 -15.881 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.718 -15.692 -11.387 1.00 0.00 H new ATOM 1274 N ALA A 87 8.361 -12.323 -7.723 1.00 0.00 N ATOM 1275 CA ALA A 87 7.482 -11.224 -7.220 1.00 0.00 C ATOM 1276 C ALA A 87 8.292 -10.252 -6.354 1.00 0.00 C ATOM 1277 O ALA A 87 8.369 -9.071 -6.633 1.00 0.00 O ATOM 1278 CB ALA A 87 6.344 -11.827 -6.387 1.00 0.00 C ATOM 0 H ALA A 87 8.120 -13.257 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 87 7.070 -10.679 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.700 -11.028 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.760 -12.507 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.762 -12.375 -5.543 1.00 0.00 H new ATOM 1284 N GLN A 88 8.884 -10.736 -5.296 1.00 0.00 N ATOM 1285 CA GLN A 88 9.669 -9.832 -4.407 1.00 0.00 C ATOM 1286 C GLN A 88 10.794 -9.169 -5.210 1.00 0.00 C ATOM 1287 O GLN A 88 11.254 -8.095 -4.879 1.00 0.00 O ATOM 1288 CB GLN A 88 10.232 -10.643 -3.224 1.00 0.00 C ATOM 1289 CG GLN A 88 11.529 -11.374 -3.614 1.00 0.00 C ATOM 1290 CD GLN A 88 12.743 -10.478 -3.352 1.00 0.00 C ATOM 1291 OE1 GLN A 88 12.568 -9.198 -3.186 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 13.860 -10.952 -3.296 1.00 0.00 N flip ATOM 0 H GLN A 88 8.858 -11.715 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 88 9.026 -9.046 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.426 -9.977 -2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.489 -11.368 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.620 -12.298 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.495 -11.653 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.996 -11.955 -3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.662 -10.348 -3.119 1.00 0.00 H new ATOM 1301 N ALA A 89 11.229 -9.794 -6.271 1.00 0.00 N ATOM 1302 CA ALA A 89 12.311 -9.193 -7.099 1.00 0.00 C ATOM 1303 C ALA A 89 11.853 -7.829 -7.624 1.00 0.00 C ATOM 1304 O ALA A 89 12.543 -6.834 -7.495 1.00 0.00 O ATOM 1305 CB ALA A 89 12.617 -10.117 -8.280 1.00 0.00 C ATOM 0 H ALA A 89 10.881 -10.695 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 89 13.208 -9.066 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.409 -9.680 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.940 -11.089 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.720 -10.241 -8.887 1.00 0.00 H new ATOM 1311 N ALA A 90 10.692 -7.777 -8.218 1.00 0.00 N ATOM 1312 CA ALA A 90 10.179 -6.490 -8.759 1.00 0.00 C ATOM 1313 C ALA A 90 10.082 -5.464 -7.627 1.00 0.00 C ATOM 1314 O ALA A 90 10.263 -4.281 -7.832 1.00 0.00 O ATOM 1315 CB ALA A 90 8.792 -6.711 -9.366 1.00 0.00 C ATOM 0 H ALA A 90 10.074 -8.577 -8.352 1.00 0.00 H new ATOM 0 HA ALA A 90 10.859 -6.121 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.414 -5.769 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.859 -7.443 -10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.113 -7.079 -8.597 1.00 0.00 H new ATOM 1321 N ALA A 91 9.796 -5.908 -6.434 1.00 0.00 N ATOM 1322 CA ALA A 91 9.692 -4.955 -5.293 1.00 0.00 C ATOM 1323 C ALA A 91 11.060 -4.324 -5.027 1.00 0.00 C ATOM 1324 O ALA A 91 11.165 -3.170 -4.663 1.00 0.00 O ATOM 1325 CB ALA A 91 9.223 -5.705 -4.043 1.00 0.00 C ATOM 0 H ALA A 91 9.630 -6.887 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 91 8.974 -4.172 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.147 -5.009 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.247 -6.153 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.941 -6.488 -3.798 1.00 0.00 H new ATOM 1331 N GLU A 92 12.111 -5.079 -5.197 1.00 0.00 N ATOM 1332 CA GLU A 92 13.477 -4.542 -4.950 1.00 0.00 C ATOM 1333 C GLU A 92 13.760 -3.365 -5.880 1.00 0.00 C ATOM 1334 O GLU A 92 14.187 -2.314 -5.449 1.00 0.00 O ATOM 1335 CB GLU A 92 14.495 -5.654 -5.197 1.00 0.00 C ATOM 1336 CG GLU A 92 14.197 -6.847 -4.265 1.00 0.00 C ATOM 1337 CD GLU A 92 15.048 -6.755 -2.991 1.00 0.00 C ATOM 1338 OE1 GLU A 92 14.667 -6.010 -2.102 1.00 0.00 O ATOM 1339 OE2 GLU A 92 16.061 -7.430 -2.928 1.00 0.00 O ATOM 0 H GLU A 92 12.080 -6.053 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 92 13.550 -4.193 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.453 -5.974 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.504 -5.283 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.139 -6.857 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.406 -7.783 -4.783 1.00 0.00 H new ATOM 1346 N GLN A 93 13.536 -3.515 -7.152 1.00 0.00 N ATOM 1347 CA GLN A 93 13.812 -2.366 -8.060 1.00 0.00 C ATOM 1348 C GLN A 93 12.876 -1.214 -7.689 1.00 0.00 C ATOM 1349 O GLN A 93 13.264 -0.061 -7.677 1.00 0.00 O ATOM 1350 CB GLN A 93 13.596 -2.774 -9.520 1.00 0.00 C ATOM 1351 CG GLN A 93 12.268 -3.510 -9.658 1.00 0.00 C ATOM 1352 CD GLN A 93 12.077 -3.939 -11.110 1.00 0.00 C ATOM 1353 OE1 GLN A 93 12.734 -4.847 -11.580 1.00 0.00 O ATOM 1354 NE2 GLN A 93 11.202 -3.317 -11.851 1.00 0.00 N ATOM 0 H GLN A 93 13.182 -4.362 -7.598 1.00 0.00 H new ATOM 0 HA GLN A 93 14.850 -2.051 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.601 -1.891 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.413 -3.413 -9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.253 -4.382 -9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.447 -2.864 -9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.650 -2.555 -11.457 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.070 -3.593 -12.824 1.00 0.00 H new ATOM 1363 N LEU A 94 11.643 -1.512 -7.366 1.00 0.00 N ATOM 1364 CA LEU A 94 10.699 -0.429 -6.983 1.00 0.00 C ATOM 1365 C LEU A 94 11.022 0.042 -5.564 1.00 0.00 C ATOM 1366 O LEU A 94 10.639 1.123 -5.161 1.00 0.00 O ATOM 1367 CB LEU A 94 9.257 -0.945 -7.035 1.00 0.00 C ATOM 1368 CG LEU A 94 8.791 -1.074 -8.499 1.00 0.00 C ATOM 1369 CD1 LEU A 94 7.618 -2.055 -8.580 1.00 0.00 C ATOM 1370 CD2 LEU A 94 8.332 0.289 -9.046 1.00 0.00 C ATOM 0 H LEU A 94 11.254 -2.455 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 94 10.803 0.402 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.191 -1.913 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.599 -0.264 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 94 9.629 -1.436 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.290 -2.145 -9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.934 -3.032 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.794 -1.688 -7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.007 0.175 -10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.503 0.662 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.160 0.997 -9.001 1.00 0.00 H new ATOM 1382 N LYS A 95 11.736 -0.746 -4.802 1.00 0.00 N ATOM 1383 CA LYS A 95 12.081 -0.303 -3.423 1.00 0.00 C ATOM 1384 C LYS A 95 13.030 0.884 -3.550 1.00 0.00 C ATOM 1385 O LYS A 95 13.004 1.809 -2.761 1.00 0.00 O ATOM 1386 CB LYS A 95 12.760 -1.457 -2.663 1.00 0.00 C ATOM 1387 CG LYS A 95 13.427 -0.944 -1.361 1.00 0.00 C ATOM 1388 CD LYS A 95 14.940 -0.747 -1.576 1.00 0.00 C ATOM 1389 CE LYS A 95 15.517 0.116 -0.450 1.00 0.00 C ATOM 1390 NZ LYS A 95 14.775 1.407 -0.379 1.00 0.00 N ATOM 0 H LYS A 95 12.090 -1.664 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 95 11.188 -0.014 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.023 -2.223 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.510 -1.926 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 95 12.970 -0.002 -1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.257 -1.656 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.442 -1.714 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.121 -0.271 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.442 -0.411 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.576 0.303 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.446 2.184 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.274 1.569 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.087 1.370 0.400 1.00 0.00 H new ATOM 1404 N THR A 96 13.849 0.870 -4.564 1.00 0.00 N ATOM 1405 CA THR A 96 14.789 1.988 -4.794 1.00 0.00 C ATOM 1406 C THR A 96 13.993 3.209 -5.265 1.00 0.00 C ATOM 1407 O THR A 96 14.290 4.332 -4.910 1.00 0.00 O ATOM 1408 CB THR A 96 15.783 1.565 -5.879 1.00 0.00 C ATOM 1409 OG1 THR A 96 16.356 0.315 -5.526 1.00 0.00 O ATOM 1410 CG2 THR A 96 16.887 2.607 -6.012 1.00 0.00 C ATOM 0 H THR A 96 13.903 0.117 -5.250 1.00 0.00 H new ATOM 0 HA THR A 96 15.327 2.238 -3.879 1.00 0.00 H new ATOM 0 HB THR A 96 15.259 1.478 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.992 0.039 -6.219 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.589 2.297 -6.786 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.450 3.568 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.413 2.703 -5.062 1.00 0.00 H new ATOM 1418 N THR A 97 12.982 2.994 -6.069 1.00 0.00 N ATOM 1419 CA THR A 97 12.161 4.123 -6.569 1.00 0.00 C ATOM 1420 C THR A 97 11.080 4.463 -5.535 1.00 0.00 C ATOM 1421 O THR A 97 11.174 5.443 -4.822 1.00 0.00 O ATOM 1422 CB THR A 97 11.512 3.708 -7.894 1.00 0.00 C ATOM 1423 OG1 THR A 97 12.464 3.005 -8.680 1.00 0.00 O ATOM 1424 CG2 THR A 97 11.047 4.948 -8.647 1.00 0.00 C ATOM 0 H THR A 97 12.693 2.073 -6.400 1.00 0.00 H new ATOM 0 HA THR A 97 12.784 5.003 -6.728 1.00 0.00 H new ATOM 0 HB THR A 97 10.654 3.066 -7.695 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.053 2.736 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.586 4.650 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.320 5.490 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.902 5.593 -8.850 1.00 0.00 H new ATOM 1432 N GLY A 98 10.058 3.658 -5.446 1.00 0.00 N ATOM 1433 CA GLY A 98 8.976 3.928 -4.459 1.00 0.00 C ATOM 1434 C GLY A 98 8.503 5.380 -4.591 1.00 0.00 C ATOM 1435 O GLY A 98 9.061 6.282 -3.998 1.00 0.00 O ATOM 0 H GLY A 98 9.925 2.823 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.141 3.247 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.340 3.745 -3.448 1.00 0.00 H new ATOM 1439 N ARG A 99 7.473 5.608 -5.362 1.00 0.00 N ATOM 1440 CA ARG A 99 6.949 6.995 -5.540 1.00 0.00 C ATOM 1441 C ARG A 99 8.079 7.944 -5.952 1.00 0.00 C ATOM 1442 O ARG A 99 8.273 8.208 -7.122 1.00 0.00 O ATOM 1443 CB ARG A 99 6.327 7.490 -4.230 1.00 0.00 C ATOM 1444 CG ARG A 99 5.879 8.957 -4.389 1.00 0.00 C ATOM 1445 CD ARG A 99 4.716 9.259 -3.434 1.00 0.00 C ATOM 1446 NE ARG A 99 4.876 8.470 -2.183 1.00 0.00 N ATOM 1447 CZ ARG A 99 3.846 8.261 -1.407 1.00 0.00 C ATOM 1448 NH1 ARG A 99 2.678 8.750 -1.726 1.00 0.00 N ATOM 1449 NH2 ARG A 99 3.985 7.566 -0.312 1.00 0.00 N ATOM 0 H ARG A 99 6.969 4.888 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 99 6.191 6.980 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.474 6.866 -3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.050 7.406 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.714 9.625 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.572 9.142 -5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.690 10.324 -3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.768 9.013 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 99 5.789 8.092 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.570 9.295 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.874 8.587 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.898 7.186 -0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.181 7.403 0.294 1.00 0.00 H new ATOM 1463 N ALA A 100 8.809 8.468 -4.995 1.00 0.00 N ATOM 1464 CA ALA A 100 9.925 9.420 -5.295 1.00 0.00 C ATOM 1465 C ALA A 100 9.357 10.832 -5.433 1.00 0.00 C ATOM 1466 O ALA A 100 9.671 11.562 -6.353 1.00 0.00 O ATOM 1467 CB ALA A 100 10.658 9.016 -6.583 1.00 0.00 C ATOM 0 H ALA A 100 8.675 8.272 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 100 10.644 9.392 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.464 9.723 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.073 8.015 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.957 9.023 -7.418 1.00 0.00 H new ATOM 1473 N GLY A 101 8.522 11.213 -4.513 1.00 0.00 N ATOM 1474 CA GLY A 101 7.916 12.575 -4.554 1.00 0.00 C ATOM 1475 C GLY A 101 7.361 12.928 -3.168 1.00 0.00 C ATOM 1476 O GLY A 101 6.573 13.840 -3.019 1.00 0.00 O ATOM 0 H GLY A 101 8.228 10.636 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.663 13.309 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.119 12.608 -5.296 1.00 0.00 H new ATOM 1480 N ASN A 102 7.760 12.201 -2.154 1.00 0.00 N ATOM 1481 CA ASN A 102 7.250 12.475 -0.774 1.00 0.00 C ATOM 1482 C ASN A 102 8.128 13.519 -0.073 1.00 0.00 C ATOM 1483 O ASN A 102 8.303 13.480 1.128 1.00 0.00 O ATOM 1484 CB ASN A 102 7.281 11.171 0.031 1.00 0.00 C ATOM 1485 CG ASN A 102 6.324 11.270 1.224 1.00 0.00 C ATOM 1486 OD1 ASN A 102 5.461 10.433 1.394 1.00 0.00 O ATOM 1487 ND2 ASN A 102 6.442 12.263 2.060 1.00 0.00 N ATOM 0 H ASN A 102 8.420 11.426 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 102 6.232 12.860 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.996 10.334 -0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 102 8.294 10.974 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.809 12.337 2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.167 12.966 1.917 1.00 0.00 H new ATOM 1494 N GLN A 103 8.683 14.446 -0.808 1.00 0.00 N ATOM 1495 CA GLN A 103 9.555 15.491 -0.193 1.00 0.00 C ATOM 1496 C GLN A 103 9.064 16.859 -0.632 1.00 0.00 C ATOM 1497 O GLN A 103 9.245 17.848 0.048 1.00 0.00 O ATOM 1498 CB GLN A 103 10.976 15.298 -0.697 1.00 0.00 C ATOM 1499 CG GLN A 103 11.928 16.194 0.094 1.00 0.00 C ATOM 1500 CD GLN A 103 13.278 16.252 -0.619 1.00 0.00 C ATOM 1501 OE1 GLN A 103 14.268 15.761 -0.112 1.00 0.00 O ATOM 1502 NE2 GLN A 103 13.358 16.835 -1.785 1.00 0.00 N ATOM 0 H GLN A 103 8.568 14.525 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 103 9.526 15.413 0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.271 14.254 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.032 15.539 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.510 17.196 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.054 15.807 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 103 12.526 17.246 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.253 16.879 -2.273 1.00 0.00 H new ATOM 1511 N LYS A 104 8.451 16.922 -1.777 1.00 0.00 N ATOM 1512 CA LYS A 104 7.955 18.224 -2.284 1.00 0.00 C ATOM 1513 C LYS A 104 6.523 18.428 -1.784 1.00 0.00 C ATOM 1514 O LYS A 104 5.968 19.507 -1.858 1.00 0.00 O ATOM 1515 CB LYS A 104 7.993 18.193 -3.830 1.00 0.00 C ATOM 1516 CG LYS A 104 6.632 17.743 -4.416 1.00 0.00 C ATOM 1517 CD LYS A 104 6.816 17.287 -5.868 1.00 0.00 C ATOM 1518 CE LYS A 104 5.446 17.142 -6.542 1.00 0.00 C ATOM 1519 NZ LYS A 104 5.632 16.812 -7.984 1.00 0.00 N ATOM 0 H LYS A 104 8.272 16.123 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 104 8.575 19.047 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.246 19.183 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.778 17.514 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.220 16.929 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.917 18.565 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.425 18.009 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.348 16.336 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.869 16.359 -6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.879 18.068 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.703 16.714 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.167 17.574 -8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.156 15.918 -8.071 1.00 0.00 H new ATOM 1533 N GLY A 105 5.918 17.376 -1.304 1.00 0.00 N ATOM 1534 CA GLY A 105 4.516 17.465 -0.827 1.00 0.00 C ATOM 1535 C GLY A 105 4.300 16.474 0.318 1.00 0.00 C ATOM 1536 O GLY A 105 3.250 15.876 0.447 1.00 0.00 O ATOM 0 H GLY A 105 6.342 16.452 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 105 4.300 18.479 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.829 17.247 -1.644 1.00 0.00 H new ATOM 1540 N GLY A 106 5.291 16.295 1.156 1.00 0.00 N ATOM 1541 CA GLY A 106 5.157 15.347 2.302 1.00 0.00 C ATOM 1542 C GLY A 106 4.807 16.128 3.570 1.00 0.00 C ATOM 1543 O GLY A 106 5.360 17.200 3.755 1.00 0.00 O ATOM 1544 OXT GLY A 106 3.989 15.641 4.334 1.00 0.00 O ATOM 0 H GLY A 106 6.192 16.769 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.382 14.610 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.088 14.798 2.445 1.00 0.00 H new TER 1548 GLY A 106