USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 23 MET CE :methyl 168:sc= -0.298 (180deg=-0.601) USER MOD Set 1.2: A 30 SER OG : rot 180:sc= -0.954 USER MOD Set 1.3: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0544 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 0.705 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 45:sc= 0.0725 USER MOD Single : A 21 ASN : amide:sc=-0.00187 X(o=-0.0019,f=-0.017) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.721 K(o=-0.72,f=-4.6!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.325 USER MOD Single : A 59 ASN : amide:sc= -4.15! C(o=-4.2!,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 68 HIS : no HE2:sc= -2.53 X(o=-2.5,f=-2.1) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 50:sc= 0.0469 USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0145) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.907 2.134 -25.520 1.00 0.00 N ATOM 2 CA GLY A 1 -2.049 0.859 -24.843 1.00 0.00 C ATOM 3 C GLY A 1 -2.341 1.017 -23.364 1.00 0.00 C ATOM 4 O GLY A 1 -2.869 2.043 -22.935 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.529 2.156 -26.353 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.170 2.903 -24.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.920 2.258 -25.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.853 0.291 -25.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.134 0.280 -24.970 1.00 0.00 H new ATOM 8 N SER A 2 -1.999 -0.002 -22.582 1.00 0.00 N ATOM 9 CA SER A 2 -2.233 0.026 -21.143 1.00 0.00 C ATOM 10 C SER A 2 -3.727 0.079 -20.837 1.00 0.00 C ATOM 11 O SER A 2 -4.165 0.817 -19.954 1.00 0.00 O ATOM 12 CB SER A 2 -1.529 1.229 -20.514 1.00 0.00 C ATOM 13 OG SER A 2 -1.666 1.220 -19.104 1.00 0.00 O ATOM 0 H SER A 2 -1.559 -0.857 -22.921 1.00 0.00 H new ATOM 0 HA SER A 2 -1.824 -0.889 -20.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.472 1.216 -20.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.948 2.151 -20.917 1.00 0.00 H new ATOM 0 HG SER A 2 -2.614 1.139 -18.868 1.00 0.00 H new ATOM 19 N SER A 3 -4.504 -0.709 -21.572 1.00 0.00 N ATOM 20 CA SER A 3 -5.949 -0.750 -21.383 1.00 0.00 C ATOM 21 C SER A 3 -6.312 -1.560 -20.142 1.00 0.00 C ATOM 22 O SER A 3 -7.113 -1.125 -19.316 1.00 0.00 O ATOM 23 CB SER A 3 -6.630 -1.351 -22.615 1.00 0.00 C ATOM 24 OG SER A 3 -8.038 -1.213 -22.538 1.00 0.00 O ATOM 0 H SER A 3 -4.157 -1.328 -22.304 1.00 0.00 H new ATOM 0 HA SER A 3 -6.301 0.272 -21.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.262 -0.858 -23.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.369 -2.406 -22.700 1.00 0.00 H new ATOM 0 HG SER A 3 -8.449 -1.603 -23.337 1.00 0.00 H new ATOM 30 N GLY A 4 -5.715 -2.741 -20.018 1.00 0.00 N ATOM 31 CA GLY A 4 -5.987 -3.594 -18.876 1.00 0.00 C ATOM 32 C GLY A 4 -4.832 -3.634 -17.894 1.00 0.00 C ATOM 33 O GLY A 4 -3.790 -4.225 -18.175 1.00 0.00 O ATOM 0 H GLY A 4 -5.048 -3.123 -20.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.882 -3.238 -18.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.199 -4.605 -19.224 1.00 0.00 H new ATOM 37 N SER A 5 -5.017 -3.002 -16.739 1.00 0.00 N ATOM 38 CA SER A 5 -3.980 -2.963 -15.715 1.00 0.00 C ATOM 39 C SER A 5 -4.570 -3.237 -14.335 1.00 0.00 C ATOM 40 O SER A 5 -5.785 -3.180 -14.144 1.00 0.00 O ATOM 41 CB SER A 5 -3.278 -1.603 -15.721 1.00 0.00 C ATOM 42 OG SER A 5 -4.203 -0.551 -15.506 1.00 0.00 O ATOM 0 H SER A 5 -5.875 -2.510 -16.489 1.00 0.00 H new ATOM 0 HA SER A 5 -3.251 -3.741 -15.941 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.512 -1.582 -14.946 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.771 -1.456 -16.674 1.00 0.00 H new ATOM 0 HG SER A 5 -3.730 0.307 -15.513 1.00 0.00 H new ATOM 48 N SER A 6 -3.700 -3.535 -13.375 1.00 0.00 N ATOM 49 CA SER A 6 -4.133 -3.822 -12.013 1.00 0.00 C ATOM 50 C SER A 6 -4.747 -2.584 -11.366 1.00 0.00 C ATOM 51 O SER A 6 -4.707 -1.491 -11.928 1.00 0.00 O ATOM 52 CB SER A 6 -2.954 -4.318 -11.174 1.00 0.00 C ATOM 53 OG SER A 6 -2.276 -5.380 -11.823 1.00 0.00 O ATOM 0 H SER A 6 -2.691 -3.584 -13.516 1.00 0.00 H new ATOM 0 HA SER A 6 -4.892 -4.603 -12.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.261 -3.496 -10.994 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.312 -4.652 -10.200 1.00 0.00 H new ATOM 0 HG SER A 6 -1.526 -5.678 -11.267 1.00 0.00 H new ATOM 59 N GLY A 7 -5.316 -2.766 -10.178 1.00 0.00 N ATOM 60 CA GLY A 7 -5.932 -1.657 -9.472 1.00 0.00 C ATOM 61 C GLY A 7 -4.919 -0.811 -8.727 1.00 0.00 C ATOM 62 O GLY A 7 -5.054 -0.583 -7.524 1.00 0.00 O ATOM 0 H GLY A 7 -5.361 -3.662 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.470 -1.031 -10.184 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.668 -2.043 -8.766 1.00 0.00 H new ATOM 66 N VAL A 8 -3.899 -0.344 -9.441 1.00 0.00 N ATOM 67 CA VAL A 8 -2.859 0.481 -8.839 1.00 0.00 C ATOM 68 C VAL A 8 -3.442 1.764 -8.258 1.00 0.00 C ATOM 69 O VAL A 8 -4.239 2.445 -8.904 1.00 0.00 O ATOM 70 CB VAL A 8 -1.768 0.845 -9.864 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.384 1.501 -11.090 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.724 1.753 -9.231 1.00 0.00 C ATOM 0 H VAL A 8 -3.771 -0.523 -10.437 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.413 -0.108 -8.037 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.273 -0.072 -10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.598 1.751 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.090 0.813 -11.555 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.906 2.410 -10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.039 2.000 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.202 2.669 -8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.260 1.242 -8.387 1.00 0.00 H new ATOM 82 N VAL A 9 -3.040 2.090 -7.034 1.00 0.00 N ATOM 83 CA VAL A 9 -3.521 3.293 -6.365 1.00 0.00 C ATOM 84 C VAL A 9 -2.405 4.319 -6.210 1.00 0.00 C ATOM 85 O VAL A 9 -1.366 4.035 -5.616 1.00 0.00 O ATOM 86 CB VAL A 9 -4.102 2.968 -4.976 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.584 4.237 -4.289 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.231 1.955 -5.095 1.00 0.00 C ATOM 0 H VAL A 9 -2.382 1.537 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.309 3.710 -6.992 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.313 2.529 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.991 3.988 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.748 4.926 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.359 4.707 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.630 1.737 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.022 2.364 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.851 1.037 -5.543 1.00 0.00 H new ATOM 98 N GLU A 10 -2.628 5.514 -6.748 1.00 0.00 N ATOM 99 CA GLU A 10 -1.640 6.583 -6.668 1.00 0.00 C ATOM 100 C GLU A 10 -2.094 7.674 -5.702 1.00 0.00 C ATOM 101 O GLU A 10 -3.118 8.324 -5.918 1.00 0.00 O ATOM 102 CB GLU A 10 -1.394 7.185 -8.054 1.00 0.00 C ATOM 103 CG GLU A 10 -0.047 7.876 -8.187 1.00 0.00 C ATOM 104 CD GLU A 10 0.010 9.191 -7.436 1.00 0.00 C ATOM 105 OE1 GLU A 10 0.142 9.159 -6.194 1.00 0.00 O ATOM 106 OE2 GLU A 10 -0.076 10.252 -8.088 1.00 0.00 O ATOM 0 H GLU A 10 -3.483 5.766 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.710 6.155 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.463 6.395 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.184 7.902 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.735 7.215 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.163 8.055 -9.242 1.00 0.00 H new ATOM 113 N LEU A 11 -1.326 7.868 -4.635 1.00 0.00 N ATOM 114 CA LEU A 11 -1.649 8.879 -3.634 1.00 0.00 C ATOM 115 C LEU A 11 -0.599 9.985 -3.620 1.00 0.00 C ATOM 116 O LEU A 11 0.589 9.751 -3.843 1.00 0.00 O ATOM 117 CB LEU A 11 -1.751 8.239 -2.249 1.00 0.00 C ATOM 118 CG LEU A 11 -2.770 7.108 -2.105 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.511 6.314 -0.834 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.186 7.663 -2.110 1.00 0.00 C ATOM 0 H LEU A 11 -0.476 7.339 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.611 9.320 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.769 7.853 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.999 9.018 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.661 6.436 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.246 5.514 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.510 5.885 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.591 6.974 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.898 6.844 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.308 8.357 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.368 8.186 -3.049 1.00 0.00 H new ATOM 132 N PRO A 12 -1.045 11.221 -3.350 1.00 0.00 N ATOM 133 CA PRO A 12 -0.160 12.388 -3.297 1.00 0.00 C ATOM 134 C PRO A 12 0.772 12.355 -2.090 1.00 0.00 C ATOM 135 O PRO A 12 0.335 12.134 -0.961 1.00 0.00 O ATOM 136 CB PRO A 12 -1.131 13.566 -3.190 1.00 0.00 C ATOM 137 CG PRO A 12 -2.359 12.989 -2.574 1.00 0.00 C ATOM 138 CD PRO A 12 -2.448 11.574 -3.075 1.00 0.00 C ATOM 0 HA PRO A 12 0.499 12.439 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.718 14.365 -2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.343 13.995 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.299 13.015 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.243 13.560 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.891 10.911 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.063 11.503 -3.972 1.00 0.00 H new ATOM 146 N LYS A 13 2.059 12.576 -2.336 1.00 0.00 N ATOM 147 CA LYS A 13 3.054 12.573 -1.270 1.00 0.00 C ATOM 148 C LYS A 13 2.890 13.794 -0.370 1.00 0.00 C ATOM 149 O LYS A 13 3.221 14.914 -0.760 1.00 0.00 O ATOM 150 CB LYS A 13 4.465 12.547 -1.862 1.00 0.00 C ATOM 151 CG LYS A 13 5.564 12.525 -0.813 1.00 0.00 C ATOM 152 CD LYS A 13 5.903 11.105 -0.391 1.00 0.00 C ATOM 153 CE LYS A 13 5.053 10.656 0.787 1.00 0.00 C ATOM 154 NZ LYS A 13 5.745 9.625 1.610 1.00 0.00 N ATOM 0 H LYS A 13 2.438 12.760 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 13 2.903 11.677 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.566 11.669 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.599 13.422 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.456 13.011 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.248 13.099 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.749 10.428 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.958 11.046 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.813 11.517 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.108 10.254 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.133 9.345 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.952 8.793 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.634 10.016 1.981 1.00 0.00 H new ATOM 168 N THR A 14 2.380 13.570 0.837 1.00 0.00 N ATOM 169 CA THR A 14 2.173 14.651 1.792 1.00 0.00 C ATOM 170 C THR A 14 2.716 14.280 3.167 1.00 0.00 C ATOM 171 O THR A 14 2.242 13.335 3.798 1.00 0.00 O ATOM 172 CB THR A 14 0.681 15.009 1.920 1.00 0.00 C ATOM 173 OG1 THR A 14 -0.104 13.815 2.006 1.00 0.00 O ATOM 174 CG2 THR A 14 0.220 15.841 0.733 1.00 0.00 C ATOM 0 H THR A 14 2.103 12.649 1.176 1.00 0.00 H new ATOM 0 HA THR A 14 2.715 15.517 1.412 1.00 0.00 H new ATOM 0 HB THR A 14 0.548 15.597 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.315 13.193 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.837 16.082 0.846 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.799 16.763 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.367 15.275 -0.187 1.00 0.00 H new ATOM 182 N ASP A 15 3.711 15.031 3.628 1.00 0.00 N ATOM 183 CA ASP A 15 4.316 14.782 4.931 1.00 0.00 C ATOM 184 C ASP A 15 3.247 14.518 5.986 1.00 0.00 C ATOM 185 O ASP A 15 3.457 13.740 6.915 1.00 0.00 O ATOM 186 CB ASP A 15 5.182 15.971 5.350 1.00 0.00 C ATOM 187 CG ASP A 15 6.450 16.083 4.526 1.00 0.00 C ATOM 188 OD1 ASP A 15 6.374 15.899 3.293 1.00 0.00 O ATOM 189 OD2 ASP A 15 7.518 16.355 5.114 1.00 0.00 O ATOM 0 H ASP A 15 4.115 15.817 3.119 1.00 0.00 H new ATOM 0 HA ASP A 15 4.945 13.895 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.605 16.890 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.444 15.872 6.403 1.00 0.00 H new ATOM 194 N GLU A 16 2.100 15.173 5.835 1.00 0.00 N ATOM 195 CA GLU A 16 0.998 15.011 6.777 1.00 0.00 C ATOM 196 C GLU A 16 0.730 13.534 7.050 1.00 0.00 C ATOM 197 O GLU A 16 0.488 13.135 8.188 1.00 0.00 O ATOM 198 CB GLU A 16 -0.267 15.679 6.236 1.00 0.00 C ATOM 199 CG GLU A 16 -1.538 15.238 6.943 1.00 0.00 C ATOM 200 CD GLU A 16 -1.374 15.170 8.449 1.00 0.00 C ATOM 201 OE1 GLU A 16 -0.641 16.015 9.004 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.979 14.272 9.072 1.00 0.00 O ATOM 0 H GLU A 16 1.910 15.820 5.070 1.00 0.00 H new ATOM 0 HA GLU A 16 1.280 15.491 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.165 16.760 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.358 15.459 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.344 15.931 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.836 14.259 6.569 1.00 0.00 H new ATOM 209 N GLY A 17 0.774 12.725 5.995 1.00 0.00 N ATOM 210 CA GLY A 17 0.533 11.302 6.141 1.00 0.00 C ATOM 211 C GLY A 17 -0.320 10.740 5.020 1.00 0.00 C ATOM 212 O GLY A 17 -0.828 11.486 4.182 1.00 0.00 O ATOM 0 H GLY A 17 0.972 13.030 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.487 10.776 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.041 11.116 7.096 1.00 0.00 H new ATOM 216 N LEU A 18 -0.476 9.421 5.002 1.00 0.00 N ATOM 217 CA LEU A 18 -1.272 8.759 3.974 1.00 0.00 C ATOM 218 C LEU A 18 -2.594 8.260 4.547 1.00 0.00 C ATOM 219 O LEU A 18 -3.631 8.321 3.887 1.00 0.00 O ATOM 220 CB LEU A 18 -0.491 7.590 3.371 1.00 0.00 C ATOM 221 CG LEU A 18 0.630 7.962 2.399 1.00 0.00 C ATOM 222 CD1 LEU A 18 0.059 8.611 1.148 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.633 8.888 3.072 1.00 0.00 C ATOM 0 H LEU A 18 -0.062 8.789 5.687 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.488 9.486 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.060 7.008 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.194 6.939 2.851 1.00 0.00 H new ATOM 0 HG LEU A 18 1.148 7.049 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.871 8.869 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.620 7.915 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.485 9.515 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.424 9.143 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.128 9.798 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.067 8.387 3.938 1.00 0.00 H new ATOM 235 N GLY A 19 -2.551 7.767 5.781 1.00 0.00 N ATOM 236 CA GLY A 19 -3.752 7.266 6.423 1.00 0.00 C ATOM 237 C GLY A 19 -3.932 5.773 6.232 1.00 0.00 C ATOM 238 O GLY A 19 -5.053 5.291 6.069 1.00 0.00 O ATOM 0 H GLY A 19 -1.705 7.706 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.711 7.490 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.620 7.788 6.020 1.00 0.00 H new ATOM 242 N PHE A 20 -2.825 5.038 6.252 1.00 0.00 N ATOM 243 CA PHE A 20 -2.865 3.591 6.077 1.00 0.00 C ATOM 244 C PHE A 20 -1.762 2.915 6.886 1.00 0.00 C ATOM 245 O PHE A 20 -0.734 3.522 7.182 1.00 0.00 O ATOM 246 CB PHE A 20 -2.723 3.230 4.597 1.00 0.00 C ATOM 247 CG PHE A 20 -1.304 3.262 4.106 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.657 4.469 3.894 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.616 2.085 3.857 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.649 4.502 3.443 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.690 2.112 3.406 1.00 0.00 C ATOM 252 CZ PHE A 20 1.323 3.322 3.197 1.00 0.00 C ATOM 0 H PHE A 20 -1.889 5.421 6.388 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.829 3.233 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.133 2.234 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.320 3.922 4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.180 5.395 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.106 1.136 4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.142 5.450 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.216 1.188 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.343 3.345 2.842 1.00 0.00 H new ATOM 262 N ASN A 21 -1.984 1.653 7.239 1.00 0.00 N ATOM 263 CA ASN A 21 -1.009 0.893 8.014 1.00 0.00 C ATOM 264 C ASN A 21 -0.726 -0.455 7.360 1.00 0.00 C ATOM 265 O ASN A 21 -1.584 -1.019 6.679 1.00 0.00 O ATOM 266 CB ASN A 21 -1.515 0.684 9.443 1.00 0.00 C ATOM 267 CG ASN A 21 -1.412 1.942 10.283 1.00 0.00 C ATOM 268 OD1 ASN A 21 -0.325 2.490 10.469 1.00 0.00 O ATOM 269 ND2 ASN A 21 -2.546 2.405 10.795 1.00 0.00 N ATOM 0 H ASN A 21 -2.830 1.135 7.001 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.081 1.463 8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.554 0.355 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.941 -0.113 9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.540 3.248 11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.424 1.918 10.614 1.00 0.00 H new ATOM 276 N ILE A 22 0.482 -0.967 7.571 1.00 0.00 N ATOM 277 CA ILE A 22 0.878 -2.250 7.003 1.00 0.00 C ATOM 278 C ILE A 22 1.661 -3.081 8.015 1.00 0.00 C ATOM 279 O ILE A 22 2.358 -2.538 8.871 1.00 0.00 O ATOM 280 CB ILE A 22 1.733 -2.065 5.736 1.00 0.00 C ATOM 281 CG1 ILE A 22 2.980 -1.237 6.052 1.00 0.00 C ATOM 282 CG2 ILE A 22 0.915 -1.404 4.637 1.00 0.00 C ATOM 283 CD1 ILE A 22 4.024 -1.275 4.958 1.00 0.00 C ATOM 0 H ILE A 22 1.203 -0.513 8.131 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.040 -2.775 6.738 1.00 0.00 H new ATOM 0 HB ILE A 22 2.052 -3.046 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.685 -0.202 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.423 -1.602 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.533 -1.280 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.055 -2.030 4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.569 -0.428 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.880 -0.666 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.348 -2.304 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.598 -0.882 4.035 1.00 0.00 H new ATOM 295 N MET A 23 1.541 -4.400 7.908 1.00 0.00 N ATOM 296 CA MET A 23 2.240 -5.306 8.812 1.00 0.00 C ATOM 297 C MET A 23 2.676 -6.573 8.082 1.00 0.00 C ATOM 298 O MET A 23 2.286 -6.807 6.939 1.00 0.00 O ATOM 299 CB MET A 23 1.344 -5.669 9.998 1.00 0.00 C ATOM 300 CG MET A 23 0.200 -6.600 9.633 1.00 0.00 C ATOM 301 SD MET A 23 -0.981 -6.810 10.979 1.00 0.00 S ATOM 302 CE MET A 23 -2.177 -7.902 10.213 1.00 0.00 C ATOM 0 H MET A 23 0.967 -4.865 7.205 1.00 0.00 H new ATOM 0 HA MET A 23 3.130 -4.796 9.181 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.952 -6.139 10.771 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.934 -4.754 10.427 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.318 -6.207 8.758 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.604 -7.573 9.354 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.851 -8.294 10.974 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.751 -7.349 9.470 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.657 -8.728 9.728 1.00 0.00 H new ATOM 312 N GLY A 24 3.487 -7.387 8.751 1.00 0.00 N ATOM 313 CA GLY A 24 3.962 -8.619 8.150 1.00 0.00 C ATOM 314 C GLY A 24 5.105 -8.389 7.181 1.00 0.00 C ATOM 315 O GLY A 24 5.381 -7.254 6.796 1.00 0.00 O ATOM 0 H GLY A 24 3.823 -7.215 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.288 -9.301 8.936 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.139 -9.105 7.627 1.00 0.00 H new ATOM 319 N GLY A 25 5.772 -9.469 6.788 1.00 0.00 N ATOM 320 CA GLY A 25 6.886 -9.358 5.864 1.00 0.00 C ATOM 321 C GLY A 25 7.746 -10.605 5.840 1.00 0.00 C ATOM 322 O GLY A 25 7.566 -11.510 6.656 1.00 0.00 O ATOM 0 H GLY A 25 5.561 -10.419 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.504 -9.164 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.501 -8.502 6.142 1.00 0.00 H new ATOM 326 N LYS A 26 8.685 -10.657 4.900 1.00 0.00 N ATOM 327 CA LYS A 26 9.577 -11.802 4.772 1.00 0.00 C ATOM 328 C LYS A 26 10.017 -12.306 6.143 1.00 0.00 C ATOM 329 O LYS A 26 10.096 -13.512 6.374 1.00 0.00 O ATOM 330 CB LYS A 26 10.804 -11.428 3.936 1.00 0.00 C ATOM 331 CG LYS A 26 11.479 -12.620 3.279 1.00 0.00 C ATOM 332 CD LYS A 26 12.356 -12.192 2.115 1.00 0.00 C ATOM 333 CE LYS A 26 13.740 -11.773 2.584 1.00 0.00 C ATOM 334 NZ LYS A 26 14.675 -11.571 1.442 1.00 0.00 N ATOM 0 H LYS A 26 8.847 -9.918 4.216 1.00 0.00 H new ATOM 0 HA LYS A 26 9.032 -12.601 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.505 -10.719 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.526 -10.918 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.083 -13.149 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.721 -13.320 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.445 -13.013 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.883 -11.364 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.665 -10.850 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.143 -12.534 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.608 -11.286 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.767 -12.458 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.304 -10.827 0.817 1.00 0.00 H new ATOM 348 N GLU A 27 10.301 -11.375 7.047 1.00 0.00 N ATOM 349 CA GLU A 27 10.732 -11.726 8.395 1.00 0.00 C ATOM 350 C GLU A 27 9.900 -12.879 8.950 1.00 0.00 C ATOM 351 O GLU A 27 10.438 -13.915 9.337 1.00 0.00 O ATOM 352 CB GLU A 27 10.625 -10.513 9.322 1.00 0.00 C ATOM 353 CG GLU A 27 11.868 -9.639 9.327 1.00 0.00 C ATOM 354 CD GLU A 27 12.160 -9.032 7.969 1.00 0.00 C ATOM 355 OE1 GLU A 27 11.458 -8.075 7.582 1.00 0.00 O ATOM 356 OE2 GLU A 27 13.092 -9.516 7.292 1.00 0.00 O ATOM 0 H GLU A 27 10.241 -10.372 6.871 1.00 0.00 H new ATOM 0 HA GLU A 27 11.773 -12.044 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.768 -9.910 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.430 -10.858 10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.743 -8.841 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.724 -10.233 9.647 1.00 0.00 H new ATOM 363 N GLN A 28 8.585 -12.688 8.984 1.00 0.00 N ATOM 364 CA GLN A 28 7.678 -13.710 9.492 1.00 0.00 C ATOM 365 C GLN A 28 7.128 -14.564 8.355 1.00 0.00 C ATOM 366 O GLN A 28 6.187 -15.334 8.543 1.00 0.00 O ATOM 367 CB GLN A 28 6.526 -13.063 10.263 1.00 0.00 C ATOM 368 CG GLN A 28 6.977 -12.272 11.480 1.00 0.00 C ATOM 369 CD GLN A 28 7.433 -13.162 12.619 1.00 0.00 C ATOM 370 OE1 GLN A 28 7.808 -14.316 12.409 1.00 0.00 O ATOM 371 NE2 GLN A 28 7.404 -12.630 13.835 1.00 0.00 N ATOM 0 H GLN A 28 8.124 -11.835 8.666 1.00 0.00 H new ATOM 0 HA GLN A 28 8.240 -14.355 10.167 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.978 -12.401 9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.832 -13.840 10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.792 -11.607 11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.157 -11.641 11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.086 -11.669 13.964 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.700 -13.182 14.640 1.00 0.00 H new ATOM 380 N ASN A 29 7.721 -14.421 7.174 1.00 0.00 N ATOM 381 CA ASN A 29 7.289 -15.178 6.005 1.00 0.00 C ATOM 382 C ASN A 29 5.845 -14.845 5.644 1.00 0.00 C ATOM 383 O ASN A 29 5.068 -15.725 5.273 1.00 0.00 O ATOM 384 CB ASN A 29 7.429 -16.680 6.264 1.00 0.00 C ATOM 385 CG ASN A 29 8.871 -17.099 6.471 1.00 0.00 C ATOM 386 OD1 ASN A 29 9.580 -17.417 5.516 1.00 0.00 O ATOM 387 ND2 ASN A 29 9.312 -17.103 7.724 1.00 0.00 N ATOM 0 H ASN A 29 8.502 -13.788 7.001 1.00 0.00 H new ATOM 0 HA ASN A 29 7.927 -14.900 5.167 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.845 -16.950 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.011 -17.232 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.274 -17.377 7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.689 -16.832 8.485 1.00 0.00 H new ATOM 394 N SER A 30 5.493 -13.568 5.754 1.00 0.00 N ATOM 395 CA SER A 30 4.141 -13.119 5.442 1.00 0.00 C ATOM 396 C SER A 30 4.169 -11.970 4.439 1.00 0.00 C ATOM 397 O SER A 30 5.049 -11.109 4.466 1.00 0.00 O ATOM 398 CB SER A 30 3.420 -12.679 6.718 1.00 0.00 C ATOM 399 OG SER A 30 2.020 -12.862 6.601 1.00 0.00 O ATOM 0 H SER A 30 6.125 -12.827 6.057 1.00 0.00 H new ATOM 0 HA SER A 30 3.600 -13.954 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.795 -13.251 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.637 -11.630 6.919 1.00 0.00 H new ATOM 0 HG SER A 30 1.582 -12.575 7.430 1.00 0.00 H new ATOM 405 N PRO A 31 3.182 -11.955 3.531 1.00 0.00 N ATOM 406 CA PRO A 31 3.069 -10.917 2.501 1.00 0.00 C ATOM 407 C PRO A 31 2.687 -9.561 3.083 1.00 0.00 C ATOM 408 O PRO A 31 2.105 -9.482 4.166 1.00 0.00 O ATOM 409 CB PRO A 31 1.956 -11.441 1.590 1.00 0.00 C ATOM 410 CG PRO A 31 1.138 -12.329 2.463 1.00 0.00 C ATOM 411 CD PRO A 31 2.099 -12.949 3.439 1.00 0.00 C ATOM 0 HA PRO A 31 4.015 -10.748 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.358 -10.624 1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.365 -11.988 0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.366 -11.762 2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.631 -13.094 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.631 -13.124 4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.467 -13.912 3.084 1.00 0.00 H new ATOM 419 N ILE A 32 3.016 -8.497 2.359 1.00 0.00 N ATOM 420 CA ILE A 32 2.704 -7.144 2.804 1.00 0.00 C ATOM 421 C ILE A 32 1.286 -6.748 2.409 1.00 0.00 C ATOM 422 O ILE A 32 0.877 -6.929 1.262 1.00 0.00 O ATOM 423 CB ILE A 32 3.693 -6.118 2.221 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.133 -6.527 2.539 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.399 -4.729 2.767 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.158 -5.892 1.625 1.00 0.00 C ATOM 0 H ILE A 32 3.499 -8.545 1.462 1.00 0.00 H new ATOM 0 HA ILE A 32 2.789 -7.142 3.891 1.00 0.00 H new ATOM 0 HB ILE A 32 3.572 -6.095 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.360 -6.256 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.218 -7.611 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.107 -4.015 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.384 -4.438 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.495 -4.737 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.156 -6.227 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.957 -6.184 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.101 -4.807 1.713 1.00 0.00 H new ATOM 438 N TYR A 33 0.541 -6.205 3.365 1.00 0.00 N ATOM 439 CA TYR A 33 -0.833 -5.784 3.117 1.00 0.00 C ATOM 440 C TYR A 33 -1.243 -4.672 4.078 1.00 0.00 C ATOM 441 O TYR A 33 -0.482 -4.296 4.971 1.00 0.00 O ATOM 442 CB TYR A 33 -1.786 -6.971 3.257 1.00 0.00 C ATOM 443 CG TYR A 33 -1.461 -7.875 4.425 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.015 -7.649 5.679 1.00 0.00 C ATOM 445 CD2 TYR A 33 -0.600 -8.955 4.274 1.00 0.00 C ATOM 446 CE1 TYR A 33 -1.720 -8.472 6.748 1.00 0.00 C ATOM 447 CE2 TYR A 33 -0.301 -9.784 5.338 1.00 0.00 C ATOM 448 CZ TYR A 33 -0.863 -9.538 6.573 1.00 0.00 C ATOM 449 OH TYR A 33 -0.567 -10.361 7.636 1.00 0.00 O ATOM 0 H TYR A 33 0.865 -6.046 4.319 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.890 -5.400 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.804 -6.597 3.370 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.761 -7.556 2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.688 -6.816 5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.157 -9.150 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.158 -8.282 7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.369 -10.620 5.203 1.00 0.00 H new ATOM 0 HH TYR A 33 0.050 -11.064 7.344 1.00 0.00 H new ATOM 459 N ILE A 34 -2.450 -4.151 3.889 1.00 0.00 N ATOM 460 CA ILE A 34 -2.963 -3.084 4.739 1.00 0.00 C ATOM 461 C ILE A 34 -3.580 -3.646 6.015 1.00 0.00 C ATOM 462 O ILE A 34 -4.686 -4.185 5.997 1.00 0.00 O ATOM 463 CB ILE A 34 -4.018 -2.235 4.003 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.462 -1.738 2.668 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.454 -1.064 4.871 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.373 -0.699 2.816 1.00 0.00 C ATOM 0 H ILE A 34 -3.091 -4.450 3.155 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.114 -2.451 4.997 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.890 -2.858 3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.069 -2.587 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.277 -1.317 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.199 -0.474 4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.885 -1.440 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.591 -0.439 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.026 -0.393 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.767 0.167 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.540 -1.122 3.378 1.00 0.00 H new ATOM 478 N SER A 35 -2.857 -3.515 7.123 1.00 0.00 N ATOM 479 CA SER A 35 -3.331 -4.012 8.409 1.00 0.00 C ATOM 480 C SER A 35 -4.564 -3.239 8.868 1.00 0.00 C ATOM 481 O SER A 35 -5.553 -3.829 9.305 1.00 0.00 O ATOM 482 CB SER A 35 -2.226 -3.903 9.461 1.00 0.00 C ATOM 483 OG SER A 35 -1.841 -2.554 9.658 1.00 0.00 O ATOM 0 H SER A 35 -1.940 -3.069 7.156 1.00 0.00 H new ATOM 0 HA SER A 35 -3.604 -5.060 8.288 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.574 -4.327 10.403 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.362 -4.489 9.148 1.00 0.00 H new ATOM 0 HG SER A 35 -1.135 -2.511 10.336 1.00 0.00 H new ATOM 489 N ARG A 36 -4.497 -1.916 8.767 1.00 0.00 N ATOM 490 CA ARG A 36 -5.606 -1.061 9.173 1.00 0.00 C ATOM 491 C ARG A 36 -5.692 0.177 8.285 1.00 0.00 C ATOM 492 O ARG A 36 -4.710 0.571 7.655 1.00 0.00 O ATOM 493 CB ARG A 36 -5.447 -0.643 10.635 1.00 0.00 C ATOM 494 CG ARG A 36 -6.768 -0.425 11.354 1.00 0.00 C ATOM 495 CD ARG A 36 -6.610 0.515 12.539 1.00 0.00 C ATOM 496 NE ARG A 36 -6.823 1.910 12.163 1.00 0.00 N ATOM 497 CZ ARG A 36 -7.243 2.843 13.010 1.00 0.00 C ATOM 498 NH1 ARG A 36 -7.493 2.532 14.274 1.00 0.00 N ATOM 499 NH2 ARG A 36 -7.412 4.092 12.593 1.00 0.00 N ATOM 0 H ARG A 36 -3.686 -1.412 8.407 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.529 -1.630 9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.878 -1.408 11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.863 0.276 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.499 -0.014 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.159 -1.383 11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.319 0.237 13.319 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.611 0.402 12.961 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.639 2.183 11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.363 1.574 14.599 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.815 3.251 14.922 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.219 4.336 11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.735 4.808 13.244 1.00 0.00 H new ATOM 513 N VAL A 37 -6.872 0.786 8.239 1.00 0.00 N ATOM 514 CA VAL A 37 -7.087 1.979 7.430 1.00 0.00 C ATOM 515 C VAL A 37 -7.713 3.098 8.254 1.00 0.00 C ATOM 516 O VAL A 37 -8.724 2.895 8.927 1.00 0.00 O ATOM 517 CB VAL A 37 -7.991 1.681 6.219 1.00 0.00 C ATOM 518 CG1 VAL A 37 -8.251 2.950 5.421 1.00 0.00 C ATOM 519 CG2 VAL A 37 -7.367 0.607 5.340 1.00 0.00 C ATOM 0 H VAL A 37 -7.695 0.472 8.753 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.108 2.299 7.074 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.948 1.308 6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.891 2.720 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.744 3.685 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.304 3.356 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.019 0.409 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.396 0.949 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.238 -0.307 5.919 1.00 0.00 H new ATOM 529 N ILE A 38 -7.106 4.279 8.197 1.00 0.00 N ATOM 530 CA ILE A 38 -7.605 5.430 8.938 1.00 0.00 C ATOM 531 C ILE A 38 -8.967 5.872 8.414 1.00 0.00 C ATOM 532 O ILE A 38 -9.158 6.095 7.218 1.00 0.00 O ATOM 533 CB ILE A 38 -6.627 6.618 8.858 1.00 0.00 C ATOM 534 CG1 ILE A 38 -5.205 6.157 9.183 1.00 0.00 C ATOM 535 CG2 ILE A 38 -7.061 7.725 9.807 1.00 0.00 C ATOM 536 CD1 ILE A 38 -5.104 5.370 10.471 1.00 0.00 C ATOM 0 H ILE A 38 -6.268 4.463 7.645 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.702 5.118 9.978 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.638 7.012 7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.834 5.544 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.555 7.029 9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.361 8.557 9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.059 8.068 9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.075 7.344 10.828 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.068 5.076 10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.444 5.988 11.302 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.727 4.479 10.403 1.00 0.00 H new ATOM 548 N PRO A 39 -9.939 6.005 9.329 1.00 0.00 N ATOM 549 CA PRO A 39 -11.300 6.424 8.984 1.00 0.00 C ATOM 550 C PRO A 39 -11.366 7.887 8.559 1.00 0.00 C ATOM 551 O PRO A 39 -12.448 8.434 8.347 1.00 0.00 O ATOM 552 CB PRO A 39 -12.078 6.209 10.285 1.00 0.00 C ATOM 553 CG PRO A 39 -11.052 6.306 11.360 1.00 0.00 C ATOM 554 CD PRO A 39 -9.782 5.756 10.772 1.00 0.00 C ATOM 0 HA PRO A 39 -11.696 5.864 8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.855 6.963 10.411 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.572 5.237 10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.918 7.339 11.680 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.353 5.737 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.902 6.259 11.173 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.667 4.693 10.986 1.00 0.00 H new ATOM 562 N GLY A 40 -10.201 8.516 8.436 1.00 0.00 N ATOM 563 CA GLY A 40 -10.150 9.910 8.037 1.00 0.00 C ATOM 564 C GLY A 40 -8.793 10.307 7.491 1.00 0.00 C ATOM 565 O GLY A 40 -8.234 11.331 7.882 1.00 0.00 O ATOM 0 H GLY A 40 -9.292 8.085 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.912 10.096 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.392 10.539 8.894 1.00 0.00 H new ATOM 569 N GLY A 41 -8.259 9.493 6.585 1.00 0.00 N ATOM 570 CA GLY A 41 -6.962 9.781 6.002 1.00 0.00 C ATOM 571 C GLY A 41 -7.032 9.974 4.500 1.00 0.00 C ATOM 572 O GLY A 41 -8.081 9.772 3.889 1.00 0.00 O ATOM 0 H GLY A 41 -8.702 8.639 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.552 10.680 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.276 8.965 6.229 1.00 0.00 H new ATOM 576 N VAL A 42 -5.912 10.368 3.902 1.00 0.00 N ATOM 577 CA VAL A 42 -5.850 10.589 2.463 1.00 0.00 C ATOM 578 C VAL A 42 -6.250 9.333 1.696 1.00 0.00 C ATOM 579 O VAL A 42 -7.009 9.399 0.730 1.00 0.00 O ATOM 580 CB VAL A 42 -4.439 11.019 2.021 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.387 11.211 0.513 1.00 0.00 C ATOM 582 CG2 VAL A 42 -4.019 12.291 2.743 1.00 0.00 C ATOM 0 H VAL A 42 -5.035 10.541 4.393 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.554 11.390 2.236 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.737 10.228 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.382 11.515 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.642 10.274 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.099 11.982 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.019 12.580 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.722 13.091 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.014 12.114 3.819 1.00 0.00 H new ATOM 592 N ALA A 43 -5.734 8.190 2.134 1.00 0.00 N ATOM 593 CA ALA A 43 -6.040 6.918 1.491 1.00 0.00 C ATOM 594 C ALA A 43 -7.536 6.626 1.536 1.00 0.00 C ATOM 595 O ALA A 43 -8.195 6.552 0.498 1.00 0.00 O ATOM 596 CB ALA A 43 -5.260 5.791 2.153 1.00 0.00 C ATOM 0 H ALA A 43 -5.102 8.118 2.931 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.741 6.987 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.498 4.847 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.191 5.987 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.531 5.731 3.207 1.00 0.00 H new ATOM 602 N ASP A 44 -8.066 6.459 2.742 1.00 0.00 N ATOM 603 CA ASP A 44 -9.485 6.175 2.922 1.00 0.00 C ATOM 604 C ASP A 44 -10.331 7.011 1.968 1.00 0.00 C ATOM 605 O ASP A 44 -11.142 6.477 1.210 1.00 0.00 O ATOM 606 CB ASP A 44 -9.903 6.448 4.367 1.00 0.00 C ATOM 607 CG ASP A 44 -11.340 6.050 4.639 1.00 0.00 C ATOM 608 OD1 ASP A 44 -11.667 4.856 4.474 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.139 6.933 5.016 1.00 0.00 O ATOM 0 H ASP A 44 -7.534 6.515 3.611 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.651 5.121 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.244 5.902 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.775 7.508 4.585 1.00 0.00 H new ATOM 614 N ARG A 45 -10.138 8.326 2.011 1.00 0.00 N ATOM 615 CA ARG A 45 -10.886 9.236 1.152 1.00 0.00 C ATOM 616 C ARG A 45 -10.902 8.734 -0.289 1.00 0.00 C ATOM 617 O ARG A 45 -11.913 8.844 -0.984 1.00 0.00 O ATOM 618 CB ARG A 45 -10.277 10.639 1.207 1.00 0.00 C ATOM 619 CG ARG A 45 -10.251 11.237 2.604 1.00 0.00 C ATOM 620 CD ARG A 45 -11.537 11.988 2.912 1.00 0.00 C ATOM 621 NE ARG A 45 -12.545 11.123 3.520 1.00 0.00 N ATOM 622 CZ ARG A 45 -13.560 11.575 4.247 1.00 0.00 C ATOM 623 NH1 ARG A 45 -13.702 12.877 4.455 1.00 0.00 N ATOM 624 NH2 ARG A 45 -14.436 10.725 4.766 1.00 0.00 N ATOM 0 H ARG A 45 -9.470 8.784 2.631 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.913 9.278 1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.259 10.600 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.844 11.298 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.107 10.444 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.402 11.914 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.320 12.819 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.935 12.417 1.993 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.465 10.116 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.031 13.533 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.482 13.222 5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.330 9.723 4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.215 11.073 5.324 1.00 0.00 H new ATOM 638 N HIS A 46 -9.776 8.183 -0.731 1.00 0.00 N ATOM 639 CA HIS A 46 -9.662 7.664 -2.090 1.00 0.00 C ATOM 640 C HIS A 46 -10.501 6.401 -2.261 1.00 0.00 C ATOM 641 O HIS A 46 -11.255 6.271 -3.224 1.00 0.00 O ATOM 642 CB HIS A 46 -8.199 7.368 -2.423 1.00 0.00 C ATOM 643 CG HIS A 46 -7.899 7.410 -3.890 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.220 6.384 -4.753 1.00 0.00 N ATOM 645 CD2 HIS A 46 -7.305 8.363 -4.645 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.835 6.704 -5.976 1.00 0.00 C ATOM 647 NE2 HIS A 46 -7.277 7.900 -5.938 1.00 0.00 N ATOM 0 H HIS A 46 -8.931 8.084 -0.169 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.037 8.423 -2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.565 8.091 -1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.939 6.383 -2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.924 9.311 -4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.956 6.091 -6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.888 8.399 -6.738 1.00 0.00 H new ATOM 655 N GLY A 47 -10.362 5.472 -1.320 1.00 0.00 N ATOM 656 CA GLY A 47 -11.112 4.231 -1.387 1.00 0.00 C ATOM 657 C GLY A 47 -10.333 3.118 -2.059 1.00 0.00 C ATOM 658 O GLY A 47 -10.430 1.957 -1.664 1.00 0.00 O ATOM 0 H GLY A 47 -9.744 5.556 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.386 3.921 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.041 4.400 -1.932 1.00 0.00 H new ATOM 662 N GLY A 48 -9.560 3.472 -3.081 1.00 0.00 N ATOM 663 CA GLY A 48 -8.774 2.483 -3.795 1.00 0.00 C ATOM 664 C GLY A 48 -8.044 1.538 -2.861 1.00 0.00 C ATOM 665 O GLY A 48 -7.945 0.340 -3.130 1.00 0.00 O ATOM 0 H GLY A 48 -9.464 4.427 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.428 1.908 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.050 2.990 -4.433 1.00 0.00 H new ATOM 669 N LEU A 49 -7.530 2.077 -1.760 1.00 0.00 N ATOM 670 CA LEU A 49 -6.803 1.273 -0.783 1.00 0.00 C ATOM 671 C LEU A 49 -7.691 0.931 0.409 1.00 0.00 C ATOM 672 O LEU A 49 -8.367 1.799 0.964 1.00 0.00 O ATOM 673 CB LEU A 49 -5.556 2.020 -0.307 1.00 0.00 C ATOM 674 CG LEU A 49 -4.280 1.778 -1.114 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.242 2.845 -0.803 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.723 0.391 -0.828 1.00 0.00 C ATOM 0 H LEU A 49 -7.603 3.066 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.501 0.344 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.771 3.089 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.364 1.743 0.730 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.527 1.837 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.341 2.657 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.641 3.826 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.999 2.818 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.815 0.236 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.492 0.303 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.463 -0.362 -1.102 1.00 0.00 H new ATOM 688 N LYS A 50 -7.685 -0.339 0.800 1.00 0.00 N ATOM 689 CA LYS A 50 -8.486 -0.797 1.928 1.00 0.00 C ATOM 690 C LYS A 50 -7.731 -1.841 2.744 1.00 0.00 C ATOM 691 O LYS A 50 -6.690 -2.341 2.317 1.00 0.00 O ATOM 692 CB LYS A 50 -9.812 -1.380 1.435 1.00 0.00 C ATOM 693 CG LYS A 50 -10.927 -0.354 1.332 1.00 0.00 C ATOM 694 CD LYS A 50 -12.218 -0.981 0.831 1.00 0.00 C ATOM 695 CE LYS A 50 -12.154 -1.271 -0.661 1.00 0.00 C ATOM 696 NZ LYS A 50 -13.360 -2.004 -1.136 1.00 0.00 N ATOM 0 H LYS A 50 -7.133 -1.070 0.351 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.689 0.061 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.658 -1.836 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.123 -2.176 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.097 0.099 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.625 0.447 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.409 -1.906 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.053 -0.311 1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.059 -0.334 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.262 -1.859 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.278 -2.183 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.437 -2.910 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.209 -1.432 -0.952 1.00 0.00 H new ATOM 710 N ARG A 51 -8.263 -2.168 3.917 1.00 0.00 N ATOM 711 CA ARG A 51 -7.639 -3.153 4.792 1.00 0.00 C ATOM 712 C ARG A 51 -7.705 -4.547 4.174 1.00 0.00 C ATOM 713 O ARG A 51 -8.786 -5.105 3.991 1.00 0.00 O ATOM 714 CB ARG A 51 -8.322 -3.157 6.160 1.00 0.00 C ATOM 715 CG ARG A 51 -7.817 -4.249 7.090 1.00 0.00 C ATOM 716 CD ARG A 51 -8.764 -4.466 8.260 1.00 0.00 C ATOM 717 NE ARG A 51 -8.956 -3.248 9.042 1.00 0.00 N ATOM 718 CZ ARG A 51 -9.930 -3.092 9.931 1.00 0.00 C ATOM 719 NH1 ARG A 51 -10.795 -4.072 10.151 1.00 0.00 N ATOM 720 NH2 ARG A 51 -10.040 -1.953 10.604 1.00 0.00 N ATOM 0 H ARG A 51 -9.125 -1.765 4.284 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.592 -2.879 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.170 -2.188 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.396 -3.279 6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.705 -5.180 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.829 -3.981 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.728 -4.813 7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.370 -5.252 8.904 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.307 -2.475 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.714 -4.949 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.542 -3.949 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.376 -1.197 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.789 -1.834 11.287 1.00 0.00 H new ATOM 734 N GLY A 52 -6.540 -5.103 3.855 1.00 0.00 N ATOM 735 CA GLY A 52 -6.488 -6.426 3.261 1.00 0.00 C ATOM 736 C GLY A 52 -5.745 -6.440 1.939 1.00 0.00 C ATOM 737 O GLY A 52 -5.081 -7.420 1.603 1.00 0.00 O ATOM 0 H GLY A 52 -5.632 -4.661 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.003 -7.113 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.503 -6.792 3.108 1.00 0.00 H new ATOM 741 N ASP A 53 -5.858 -5.350 1.188 1.00 0.00 N ATOM 742 CA ASP A 53 -5.192 -5.240 -0.105 1.00 0.00 C ATOM 743 C ASP A 53 -3.703 -5.550 0.023 1.00 0.00 C ATOM 744 O ASP A 53 -2.957 -4.802 0.653 1.00 0.00 O ATOM 745 CB ASP A 53 -5.386 -3.838 -0.685 1.00 0.00 C ATOM 746 CG ASP A 53 -6.849 -3.474 -0.842 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.516 -3.242 0.188 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.328 -3.422 -1.994 1.00 0.00 O ATOM 0 H ASP A 53 -6.404 -4.530 1.452 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.640 -5.969 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.901 -3.109 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.893 -3.778 -1.656 1.00 0.00 H new ATOM 753 N GLN A 54 -3.281 -6.657 -0.578 1.00 0.00 N ATOM 754 CA GLN A 54 -1.882 -7.066 -0.530 1.00 0.00 C ATOM 755 C GLN A 54 -1.037 -6.230 -1.486 1.00 0.00 C ATOM 756 O GLN A 54 -1.239 -6.263 -2.701 1.00 0.00 O ATOM 757 CB GLN A 54 -1.750 -8.550 -0.878 1.00 0.00 C ATOM 758 CG GLN A 54 -0.357 -9.109 -0.638 1.00 0.00 C ATOM 759 CD GLN A 54 -0.336 -10.625 -0.596 1.00 0.00 C ATOM 760 OE1 GLN A 54 -1.228 -11.254 -0.025 1.00 0.00 O ATOM 761 NE2 GLN A 54 0.684 -11.220 -1.201 1.00 0.00 N ATOM 0 H GLN A 54 -3.887 -7.287 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.517 -6.904 0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.468 -9.119 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.015 -8.694 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.311 -8.762 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.030 -8.718 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.401 -10.660 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.751 -12.238 -1.205 1.00 0.00 H new ATOM 770 N LEU A 55 -0.091 -5.482 -0.931 1.00 0.00 N ATOM 771 CA LEU A 55 0.785 -4.636 -1.734 1.00 0.00 C ATOM 772 C LEU A 55 1.653 -5.479 -2.664 1.00 0.00 C ATOM 773 O LEU A 55 2.515 -6.234 -2.212 1.00 0.00 O ATOM 774 CB LEU A 55 1.672 -3.780 -0.828 1.00 0.00 C ATOM 775 CG LEU A 55 2.536 -2.732 -1.531 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.711 -1.500 -1.868 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.729 -2.357 -0.664 1.00 0.00 C ATOM 0 H LEU A 55 0.090 -5.444 0.072 1.00 0.00 H new ATOM 0 HA LEU A 55 0.160 -3.983 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.035 -3.271 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.328 -4.443 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 55 2.909 -3.160 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.342 -0.765 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.890 -1.781 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.309 -1.069 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.333 -1.610 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.376 -1.948 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.333 -3.244 -0.473 1.00 0.00 H new ATOM 789 N LEU A 56 1.420 -5.344 -3.965 1.00 0.00 N ATOM 790 CA LEU A 56 2.182 -6.092 -4.960 1.00 0.00 C ATOM 791 C LEU A 56 3.505 -5.397 -5.267 1.00 0.00 C ATOM 792 O LEU A 56 4.551 -6.041 -5.347 1.00 0.00 O ATOM 793 CB LEU A 56 1.365 -6.249 -6.243 1.00 0.00 C ATOM 794 CG LEU A 56 0.181 -7.213 -6.172 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.703 -7.065 -7.400 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.668 -8.648 -6.033 1.00 0.00 C ATOM 0 H LEU A 56 0.710 -4.724 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 56 2.398 -7.079 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.991 -5.267 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.033 -6.584 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.411 -6.965 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.540 -7.759 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.082 -6.044 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.122 -7.285 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.189 -9.320 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.284 -8.908 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.258 -8.745 -5.122 1.00 0.00 H new ATOM 808 N SER A 57 3.451 -4.080 -5.436 1.00 0.00 N ATOM 809 CA SER A 57 4.645 -3.298 -5.735 1.00 0.00 C ATOM 810 C SER A 57 4.430 -1.827 -5.395 1.00 0.00 C ATOM 811 O SER A 57 3.297 -1.350 -5.337 1.00 0.00 O ATOM 812 CB SER A 57 5.017 -3.443 -7.212 1.00 0.00 C ATOM 813 OG SER A 57 4.024 -2.872 -8.046 1.00 0.00 O ATOM 0 H SER A 57 2.593 -3.532 -5.371 1.00 0.00 H new ATOM 0 HA SER A 57 5.462 -3.678 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.975 -2.958 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.140 -4.498 -7.457 1.00 0.00 H new ATOM 0 HG SER A 57 4.286 -2.976 -8.985 1.00 0.00 H new ATOM 819 N VAL A 58 5.528 -1.112 -5.169 1.00 0.00 N ATOM 820 CA VAL A 58 5.462 0.306 -4.834 1.00 0.00 C ATOM 821 C VAL A 58 6.454 1.113 -5.664 1.00 0.00 C ATOM 822 O VAL A 58 7.600 0.707 -5.848 1.00 0.00 O ATOM 823 CB VAL A 58 5.747 0.544 -3.340 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.811 2.034 -3.039 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.691 -0.137 -2.482 1.00 0.00 C ATOM 0 H VAL A 58 6.474 -1.492 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 58 4.449 0.638 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 58 6.716 0.107 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.013 2.183 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.607 2.490 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.859 2.498 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.908 0.041 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.709 0.268 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.699 -1.209 -2.678 1.00 0.00 H new ATOM 835 N ASN A 59 6.004 2.260 -6.164 1.00 0.00 N ATOM 836 CA ASN A 59 6.852 3.125 -6.975 1.00 0.00 C ATOM 837 C ASN A 59 7.490 2.344 -8.120 1.00 0.00 C ATOM 838 O ASN A 59 8.605 2.642 -8.544 1.00 0.00 O ATOM 839 CB ASN A 59 7.941 3.763 -6.110 1.00 0.00 C ATOM 840 CG ASN A 59 7.429 4.953 -5.321 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.022 5.963 -5.894 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.448 4.837 -3.998 1.00 0.00 N ATOM 0 H ASN A 59 5.057 2.611 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 59 6.226 3.911 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.338 3.017 -5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.767 4.081 -6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.116 5.605 -3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.794 3.980 -3.566 1.00 0.00 H new ATOM 849 N GLY A 60 6.772 1.341 -8.617 1.00 0.00 N ATOM 850 CA GLY A 60 7.283 0.532 -9.708 1.00 0.00 C ATOM 851 C GLY A 60 8.355 -0.439 -9.257 1.00 0.00 C ATOM 852 O GLY A 60 9.242 -0.800 -10.031 1.00 0.00 O ATOM 0 H GLY A 60 5.846 1.075 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.461 -0.023 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.690 1.185 -10.480 1.00 0.00 H new ATOM 856 N VAL A 61 8.277 -0.864 -8.000 1.00 0.00 N ATOM 857 CA VAL A 61 9.249 -1.799 -7.446 1.00 0.00 C ATOM 858 C VAL A 61 8.555 -2.978 -6.772 1.00 0.00 C ATOM 859 O VAL A 61 7.717 -2.796 -5.890 1.00 0.00 O ATOM 860 CB VAL A 61 10.173 -1.109 -6.425 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.155 -2.108 -5.834 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.908 0.054 -7.073 1.00 0.00 C ATOM 0 H VAL A 61 7.550 -0.575 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 61 9.849 -2.163 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 61 9.560 -0.715 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.800 -1.603 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.606 -2.905 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.765 -2.534 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.556 0.530 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.510 -0.314 -7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.185 0.781 -7.443 1.00 0.00 H new ATOM 872 N SER A 62 8.911 -4.187 -7.195 1.00 0.00 N ATOM 873 CA SER A 62 8.320 -5.397 -6.635 1.00 0.00 C ATOM 874 C SER A 62 8.646 -5.523 -5.149 1.00 0.00 C ATOM 875 O SER A 62 9.790 -5.775 -4.772 1.00 0.00 O ATOM 876 CB SER A 62 8.824 -6.630 -7.386 1.00 0.00 C ATOM 877 OG SER A 62 8.452 -7.822 -6.715 1.00 0.00 O ATOM 0 H SER A 62 9.605 -4.355 -7.923 1.00 0.00 H new ATOM 0 HA SER A 62 7.238 -5.329 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.417 -6.636 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.909 -6.585 -7.479 1.00 0.00 H new ATOM 0 HG SER A 62 8.784 -8.596 -7.215 1.00 0.00 H new ATOM 883 N VAL A 63 7.631 -5.345 -4.310 1.00 0.00 N ATOM 884 CA VAL A 63 7.807 -5.440 -2.866 1.00 0.00 C ATOM 885 C VAL A 63 7.499 -6.846 -2.366 1.00 0.00 C ATOM 886 O VAL A 63 7.845 -7.205 -1.240 1.00 0.00 O ATOM 887 CB VAL A 63 6.907 -4.434 -2.123 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.234 -3.010 -2.547 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.440 -4.750 -2.371 1.00 0.00 C ATOM 0 H VAL A 63 6.678 -5.134 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 63 8.851 -5.204 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 63 7.099 -4.521 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.588 -2.314 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.276 -2.791 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.072 -2.904 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.818 -4.030 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.231 -4.691 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.219 -5.755 -2.013 1.00 0.00 H new ATOM 899 N GLU A 64 6.847 -7.639 -3.210 1.00 0.00 N ATOM 900 CA GLU A 64 6.493 -9.008 -2.853 1.00 0.00 C ATOM 901 C GLU A 64 7.737 -9.820 -2.506 1.00 0.00 C ATOM 902 O GLU A 64 7.718 -10.649 -1.598 1.00 0.00 O ATOM 903 CB GLU A 64 5.736 -9.679 -4.001 1.00 0.00 C ATOM 904 CG GLU A 64 4.251 -9.358 -4.021 1.00 0.00 C ATOM 905 CD GLU A 64 3.539 -9.812 -2.762 1.00 0.00 C ATOM 906 OE1 GLU A 64 3.418 -11.038 -2.558 1.00 0.00 O ATOM 907 OE2 GLU A 64 3.102 -8.941 -1.980 1.00 0.00 O ATOM 0 H GLU A 64 6.553 -7.357 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 64 5.848 -8.971 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.179 -9.369 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.865 -10.759 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.117 -8.283 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.791 -9.836 -4.886 1.00 0.00 H new ATOM 914 N GLY A 65 8.820 -9.574 -3.239 1.00 0.00 N ATOM 915 CA GLY A 65 10.058 -10.290 -2.995 1.00 0.00 C ATOM 916 C GLY A 65 11.102 -9.428 -2.313 1.00 0.00 C ATOM 917 O GLY A 65 12.271 -9.438 -2.697 1.00 0.00 O ATOM 0 H GLY A 65 8.861 -8.892 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.853 -11.164 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.455 -10.656 -3.942 1.00 0.00 H new ATOM 921 N GLU A 66 10.678 -8.679 -1.300 1.00 0.00 N ATOM 922 CA GLU A 66 11.585 -7.806 -0.565 1.00 0.00 C ATOM 923 C GLU A 66 11.166 -7.693 0.898 1.00 0.00 C ATOM 924 O GLU A 66 10.058 -8.081 1.268 1.00 0.00 O ATOM 925 CB GLU A 66 11.621 -6.416 -1.205 1.00 0.00 C ATOM 926 CG GLU A 66 12.042 -6.430 -2.665 1.00 0.00 C ATOM 927 CD GLU A 66 13.529 -6.667 -2.842 1.00 0.00 C ATOM 928 OE1 GLU A 66 14.049 -7.639 -2.256 1.00 0.00 O ATOM 929 OE2 GLU A 66 14.173 -5.879 -3.566 1.00 0.00 O ATOM 0 H GLU A 66 9.713 -8.659 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 66 12.582 -8.244 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.633 -5.962 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.309 -5.784 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.489 -7.208 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.772 -5.480 -3.126 1.00 0.00 H new ATOM 936 N GLN A 67 12.060 -7.158 1.724 1.00 0.00 N ATOM 937 CA GLN A 67 11.783 -6.995 3.146 1.00 0.00 C ATOM 938 C GLN A 67 10.918 -5.764 3.395 1.00 0.00 C ATOM 939 O GLN A 67 11.014 -4.770 2.675 1.00 0.00 O ATOM 940 CB GLN A 67 13.091 -6.882 3.932 1.00 0.00 C ATOM 941 CG GLN A 67 13.630 -8.220 4.411 1.00 0.00 C ATOM 942 CD GLN A 67 14.942 -8.086 5.159 1.00 0.00 C ATOM 943 OE1 GLN A 67 15.259 -7.024 5.695 1.00 0.00 O ATOM 944 NE2 GLN A 67 15.714 -9.166 5.199 1.00 0.00 N ATOM 0 H GLN A 67 12.981 -6.831 1.433 1.00 0.00 H new ATOM 0 HA GLN A 67 11.237 -7.874 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.842 -6.401 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.932 -6.234 4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.893 -8.693 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.770 -8.879 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.412 -10.026 4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.609 -9.136 5.688 1.00 0.00 H new ATOM 953 N HIS A 68 10.074 -5.837 4.419 1.00 0.00 N ATOM 954 CA HIS A 68 9.191 -4.728 4.763 1.00 0.00 C ATOM 955 C HIS A 68 9.888 -3.389 4.538 1.00 0.00 C ATOM 956 O HIS A 68 9.426 -2.563 3.752 1.00 0.00 O ATOM 957 CB HIS A 68 8.739 -4.841 6.219 1.00 0.00 C ATOM 958 CG HIS A 68 7.697 -3.836 6.602 1.00 0.00 C ATOM 959 ND1 HIS A 68 6.733 -4.078 7.558 1.00 0.00 N ATOM 960 CD2 HIS A 68 7.472 -2.579 6.154 1.00 0.00 C ATOM 961 CE1 HIS A 68 5.959 -3.014 7.680 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.387 -2.090 6.839 1.00 0.00 N ATOM 0 H HIS A 68 9.983 -6.652 5.025 1.00 0.00 H new ATOM 0 HA HIS A 68 8.317 -4.777 4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.347 -5.843 6.392 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.605 -4.721 6.870 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.633 -4.944 8.088 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.040 -2.057 5.398 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.120 -2.917 8.353 1.00 0.00 H new ATOM 970 N GLU A 69 11.002 -3.183 5.233 1.00 0.00 N ATOM 971 CA GLU A 69 11.761 -1.944 5.109 1.00 0.00 C ATOM 972 C GLU A 69 11.719 -1.422 3.676 1.00 0.00 C ATOM 973 O GLU A 69 11.323 -0.282 3.429 1.00 0.00 O ATOM 974 CB GLU A 69 13.213 -2.163 5.541 1.00 0.00 C ATOM 975 CG GLU A 69 14.113 -0.968 5.277 1.00 0.00 C ATOM 976 CD GLU A 69 15.571 -1.359 5.125 1.00 0.00 C ATOM 977 OE1 GLU A 69 16.268 -1.463 6.155 1.00 0.00 O ATOM 978 OE2 GLU A 69 16.013 -1.560 3.974 1.00 0.00 O ATOM 0 H GLU A 69 11.399 -3.857 5.887 1.00 0.00 H new ATOM 0 HA GLU A 69 11.303 -1.201 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.235 -2.396 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.612 -3.031 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.780 -0.460 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.015 -0.256 6.096 1.00 0.00 H new ATOM 985 N LYS A 70 12.131 -2.263 2.733 1.00 0.00 N ATOM 986 CA LYS A 70 12.141 -1.889 1.324 1.00 0.00 C ATOM 987 C LYS A 70 10.908 -1.063 0.972 1.00 0.00 C ATOM 988 O LYS A 70 11.014 -0.001 0.360 1.00 0.00 O ATOM 989 CB LYS A 70 12.200 -3.139 0.444 1.00 0.00 C ATOM 990 CG LYS A 70 12.760 -2.880 -0.944 1.00 0.00 C ATOM 991 CD LYS A 70 14.245 -2.558 -0.895 1.00 0.00 C ATOM 992 CE LYS A 70 14.840 -2.460 -2.291 1.00 0.00 C ATOM 993 NZ LYS A 70 14.287 -1.304 -3.049 1.00 0.00 N ATOM 0 H LYS A 70 12.463 -3.209 2.920 1.00 0.00 H new ATOM 0 HA LYS A 70 13.027 -1.282 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.812 -3.893 0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.197 -3.555 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.597 -3.756 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.222 -2.052 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.397 -1.617 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.767 -3.329 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.923 -2.362 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.639 -3.382 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.778 -1.221 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.271 -1.451 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.426 -0.431 -2.501 1.00 0.00 H new ATOM 1007 N ALA A 71 9.738 -1.559 1.363 1.00 0.00 N ATOM 1008 CA ALA A 71 8.485 -0.865 1.091 1.00 0.00 C ATOM 1009 C ALA A 71 8.493 0.537 1.691 1.00 0.00 C ATOM 1010 O ALA A 71 8.192 1.517 1.009 1.00 0.00 O ATOM 1011 CB ALA A 71 7.310 -1.667 1.631 1.00 0.00 C ATOM 0 H ALA A 71 9.632 -2.438 1.869 1.00 0.00 H new ATOM 0 HA ALA A 71 8.378 -0.768 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.381 -1.137 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.286 -2.645 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.420 -1.794 2.708 1.00 0.00 H new ATOM 1017 N VAL A 72 8.837 0.625 2.972 1.00 0.00 N ATOM 1018 CA VAL A 72 8.883 1.907 3.665 1.00 0.00 C ATOM 1019 C VAL A 72 9.863 2.861 2.990 1.00 0.00 C ATOM 1020 O VAL A 72 9.469 3.902 2.467 1.00 0.00 O ATOM 1021 CB VAL A 72 9.287 1.733 5.141 1.00 0.00 C ATOM 1022 CG1 VAL A 72 9.389 3.086 5.830 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.295 0.832 5.861 1.00 0.00 C ATOM 0 H VAL A 72 9.088 -0.176 3.551 1.00 0.00 H new ATOM 0 HA VAL A 72 7.879 2.329 3.618 1.00 0.00 H new ATOM 0 HB VAL A 72 10.268 1.259 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.675 2.943 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.141 3.695 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.424 3.591 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.595 0.720 6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.301 1.276 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.277 -0.146 5.381 1.00 0.00 H new ATOM 1033 N GLU A 73 11.142 2.496 3.006 1.00 0.00 N ATOM 1034 CA GLU A 73 12.178 3.320 2.396 1.00 0.00 C ATOM 1035 C GLU A 73 11.755 3.785 1.005 1.00 0.00 C ATOM 1036 O GLU A 73 12.005 4.927 0.617 1.00 0.00 O ATOM 1037 CB GLU A 73 13.493 2.543 2.308 1.00 0.00 C ATOM 1038 CG GLU A 73 13.393 1.270 1.484 1.00 0.00 C ATOM 1039 CD GLU A 73 14.750 0.662 1.184 1.00 0.00 C ATOM 1040 OE1 GLU A 73 15.271 -0.080 2.042 1.00 0.00 O ATOM 1041 OE2 GLU A 73 15.289 0.929 0.089 1.00 0.00 O ATOM 0 H GLU A 73 11.484 1.636 3.434 1.00 0.00 H new ATOM 0 HA GLU A 73 12.325 4.198 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.258 3.187 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.823 2.289 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.783 0.542 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.881 1.487 0.547 1.00 0.00 H new ATOM 1048 N LEU A 74 11.114 2.892 0.260 1.00 0.00 N ATOM 1049 CA LEU A 74 10.656 3.209 -1.089 1.00 0.00 C ATOM 1050 C LEU A 74 9.708 4.404 -1.075 1.00 0.00 C ATOM 1051 O LEU A 74 9.908 5.377 -1.803 1.00 0.00 O ATOM 1052 CB LEU A 74 9.958 1.997 -1.710 1.00 0.00 C ATOM 1053 CG LEU A 74 10.866 0.987 -2.412 1.00 0.00 C ATOM 1054 CD1 LEU A 74 10.143 -0.337 -2.603 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.339 1.536 -3.750 1.00 0.00 C ATOM 0 H LEU A 74 10.899 1.943 0.566 1.00 0.00 H new ATOM 0 HA LEU A 74 11.527 3.467 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.409 1.477 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.222 2.356 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 74 11.740 0.813 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.804 -1.044 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.854 -0.737 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.252 -0.181 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.984 0.804 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.477 1.738 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.895 2.459 -3.588 1.00 0.00 H new ATOM 1067 N LEU A 75 8.677 4.325 -0.241 1.00 0.00 N ATOM 1068 CA LEU A 75 7.698 5.402 -0.131 1.00 0.00 C ATOM 1069 C LEU A 75 8.390 6.750 0.042 1.00 0.00 C ATOM 1070 O LEU A 75 7.965 7.755 -0.529 1.00 0.00 O ATOM 1071 CB LEU A 75 6.758 5.143 1.048 1.00 0.00 C ATOM 1072 CG LEU A 75 5.695 4.065 0.835 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.313 3.423 2.159 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.469 4.653 0.151 1.00 0.00 C ATOM 0 H LEU A 75 8.497 3.527 0.369 1.00 0.00 H new ATOM 0 HA LEU A 75 7.117 5.429 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.360 4.865 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.255 6.077 1.297 1.00 0.00 H new ATOM 0 HG LEU A 75 6.112 3.293 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.555 2.658 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.194 2.966 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.915 4.184 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.723 3.872 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.050 5.445 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.755 5.064 -0.817 1.00 0.00 H new ATOM 1086 N LYS A 76 9.459 6.765 0.831 1.00 0.00 N ATOM 1087 CA LYS A 76 10.213 7.988 1.076 1.00 0.00 C ATOM 1088 C LYS A 76 10.947 8.437 -0.183 1.00 0.00 C ATOM 1089 O LYS A 76 10.926 9.615 -0.539 1.00 0.00 O ATOM 1090 CB LYS A 76 11.214 7.775 2.214 1.00 0.00 C ATOM 1091 CG LYS A 76 10.563 7.649 3.581 1.00 0.00 C ATOM 1092 CD LYS A 76 11.565 7.215 4.638 1.00 0.00 C ATOM 1093 CE LYS A 76 10.869 6.688 5.883 1.00 0.00 C ATOM 1094 NZ LYS A 76 11.677 6.922 7.111 1.00 0.00 N ATOM 0 H LYS A 76 9.823 5.943 1.312 1.00 0.00 H new ATOM 0 HA LYS A 76 9.508 8.768 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.794 6.874 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.916 8.609 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.124 8.605 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.749 6.926 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.215 6.442 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.202 8.058 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.898 7.173 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.681 5.620 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.168 6.549 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.593 6.439 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.835 7.943 7.234 1.00 0.00 H new ATOM 1108 N ALA A 77 11.594 7.490 -0.855 1.00 0.00 N ATOM 1109 CA ALA A 77 12.331 7.788 -2.076 1.00 0.00 C ATOM 1110 C ALA A 77 11.482 8.603 -3.045 1.00 0.00 C ATOM 1111 O ALA A 77 11.957 9.569 -3.641 1.00 0.00 O ATOM 1112 CB ALA A 77 12.800 6.500 -2.737 1.00 0.00 C ATOM 0 H ALA A 77 11.622 6.510 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 77 13.203 8.385 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.349 6.738 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.451 5.956 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.936 5.883 -2.985 1.00 0.00 H new ATOM 1118 N ALA A 78 10.222 8.207 -3.198 1.00 0.00 N ATOM 1119 CA ALA A 78 9.306 8.901 -4.094 1.00 0.00 C ATOM 1120 C ALA A 78 9.256 10.393 -3.780 1.00 0.00 C ATOM 1121 O ALA A 78 9.788 10.839 -2.764 1.00 0.00 O ATOM 1122 CB ALA A 78 7.915 8.293 -4.002 1.00 0.00 C ATOM 0 H ALA A 78 9.813 7.409 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 78 9.675 8.783 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.242 8.822 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.958 7.241 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.547 8.380 -2.980 1.00 0.00 H new ATOM 1128 N GLN A 79 8.613 11.156 -4.657 1.00 0.00 N ATOM 1129 CA GLN A 79 8.495 12.598 -4.472 1.00 0.00 C ATOM 1130 C GLN A 79 7.269 13.142 -5.199 1.00 0.00 C ATOM 1131 O GLN A 79 7.141 12.997 -6.414 1.00 0.00 O ATOM 1132 CB GLN A 79 9.756 13.303 -4.976 1.00 0.00 C ATOM 1133 CG GLN A 79 10.822 13.480 -3.907 1.00 0.00 C ATOM 1134 CD GLN A 79 11.673 14.715 -4.130 1.00 0.00 C ATOM 1135 OE1 GLN A 79 11.549 15.707 -3.411 1.00 0.00 O ATOM 1136 NE2 GLN A 79 12.543 14.661 -5.132 1.00 0.00 N ATOM 0 H GLN A 79 8.166 10.801 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 79 8.379 12.794 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.175 12.732 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.482 14.282 -5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.344 13.545 -2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.464 12.599 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.612 13.818 -5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.142 15.462 -5.331 1.00 0.00 H new ATOM 1145 N GLY A 80 6.370 13.768 -4.445 1.00 0.00 N ATOM 1146 CA GLY A 80 5.166 14.323 -5.035 1.00 0.00 C ATOM 1147 C GLY A 80 4.005 13.348 -5.011 1.00 0.00 C ATOM 1148 O GLY A 80 2.859 13.742 -4.797 1.00 0.00 O ATOM 0 H GLY A 80 6.454 13.900 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.886 15.229 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.371 14.614 -6.065 1.00 0.00 H new ATOM 1152 N SER A 81 4.302 12.071 -5.232 1.00 0.00 N ATOM 1153 CA SER A 81 3.274 11.038 -5.240 1.00 0.00 C ATOM 1154 C SER A 81 3.901 9.647 -5.199 1.00 0.00 C ATOM 1155 O SER A 81 5.051 9.460 -5.598 1.00 0.00 O ATOM 1156 CB SER A 81 2.392 11.175 -6.482 1.00 0.00 C ATOM 1157 OG SER A 81 1.283 12.021 -6.229 1.00 0.00 O ATOM 0 H SER A 81 5.246 11.728 -5.408 1.00 0.00 H new ATOM 0 HA SER A 81 2.658 11.167 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.980 11.578 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.040 10.191 -6.792 1.00 0.00 H new ATOM 0 HG SER A 81 1.594 12.853 -5.816 1.00 0.00 H new ATOM 1163 N VAL A 82 3.136 8.674 -4.714 1.00 0.00 N ATOM 1164 CA VAL A 82 3.615 7.300 -4.621 1.00 0.00 C ATOM 1165 C VAL A 82 2.634 6.332 -5.273 1.00 0.00 C ATOM 1166 O VAL A 82 1.420 6.455 -5.108 1.00 0.00 O ATOM 1167 CB VAL A 82 3.836 6.880 -3.156 1.00 0.00 C ATOM 1168 CG1 VAL A 82 5.200 7.345 -2.668 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.728 7.431 -2.271 1.00 0.00 C ATOM 0 H VAL A 82 2.182 8.812 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 82 4.567 7.260 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 82 3.807 5.792 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.339 7.040 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.979 6.898 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.260 8.431 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.900 7.124 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.722 8.519 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.766 7.044 -2.609 1.00 0.00 H new ATOM 1179 N LYS A 83 3.169 5.367 -6.014 1.00 0.00 N ATOM 1180 CA LYS A 83 2.342 4.374 -6.690 1.00 0.00 C ATOM 1181 C LYS A 83 2.308 3.068 -5.904 1.00 0.00 C ATOM 1182 O LYS A 83 3.300 2.340 -5.845 1.00 0.00 O ATOM 1183 CB LYS A 83 2.871 4.118 -8.103 1.00 0.00 C ATOM 1184 CG LYS A 83 2.269 5.035 -9.154 1.00 0.00 C ATOM 1185 CD LYS A 83 3.130 5.090 -10.405 1.00 0.00 C ATOM 1186 CE LYS A 83 2.773 3.975 -11.376 1.00 0.00 C ATOM 1187 NZ LYS A 83 1.517 4.268 -12.120 1.00 0.00 N ATOM 0 H LYS A 83 4.172 5.252 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 83 1.327 4.765 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.954 4.240 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.667 3.083 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.270 4.685 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.159 6.038 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.001 6.055 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.181 5.010 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.590 3.835 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.661 3.039 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.362 3.536 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.715 4.276 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.595 5.197 -12.581 1.00 0.00 H new ATOM 1201 N LEU A 84 1.160 2.774 -5.303 1.00 0.00 N ATOM 1202 CA LEU A 84 0.996 1.554 -4.521 1.00 0.00 C ATOM 1203 C LEU A 84 0.095 0.559 -5.246 1.00 0.00 C ATOM 1204 O LEU A 84 -1.099 0.801 -5.423 1.00 0.00 O ATOM 1205 CB LEU A 84 0.410 1.880 -3.146 1.00 0.00 C ATOM 1206 CG LEU A 84 1.076 3.030 -2.389 1.00 0.00 C ATOM 1207 CD1 LEU A 84 0.089 3.683 -1.435 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.301 2.533 -1.634 1.00 0.00 C ATOM 0 H LEU A 84 0.329 3.364 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 84 1.979 1.100 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.647 2.117 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.465 0.984 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 84 1.399 3.778 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.581 4.499 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.758 4.075 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.265 2.944 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.762 3.365 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.002 1.766 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.017 2.112 -2.340 1.00 0.00 H new ATOM 1220 N VAL A 85 0.675 -0.562 -5.663 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.075 -1.595 -6.367 1.00 0.00 C ATOM 1222 C VAL A 85 -0.665 -2.607 -5.390 1.00 0.00 C ATOM 1223 O VAL A 85 -0.088 -2.878 -4.337 1.00 0.00 O ATOM 1224 CB VAL A 85 0.810 -2.337 -7.385 1.00 0.00 C ATOM 1225 CG1 VAL A 85 -0.001 -3.381 -8.138 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.453 -1.351 -8.350 1.00 0.00 C ATOM 0 H VAL A 85 1.662 -0.778 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.883 -1.093 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 85 1.604 -2.851 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.642 -3.895 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.409 -4.104 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.818 -2.893 -8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.075 -1.892 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.675 -0.808 -8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.070 -0.646 -7.793 1.00 0.00 H new ATOM 1236 N VAL A 86 -1.818 -3.163 -5.748 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.486 -4.147 -4.904 1.00 0.00 C ATOM 1238 C VAL A 86 -3.105 -5.260 -5.742 1.00 0.00 C ATOM 1239 O VAL A 86 -3.217 -5.143 -6.963 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.586 -3.495 -4.044 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.988 -2.446 -3.118 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.662 -2.885 -4.929 1.00 0.00 C ATOM 0 H VAL A 86 -2.309 -2.949 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.725 -4.570 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.048 -4.267 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.779 -1.996 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.257 -2.916 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.499 -1.673 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.431 -2.429 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.217 -2.125 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.110 -3.664 -5.546 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.507 -6.339 -5.079 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.115 -7.474 -5.763 1.00 0.00 C ATOM 1254 C ARG A 87 -5.574 -7.641 -5.348 1.00 0.00 C ATOM 1255 O ARG A 87 -5.867 -8.007 -4.210 1.00 0.00 O ATOM 1256 CB ARG A 87 -3.337 -8.755 -5.460 1.00 0.00 C ATOM 1257 CG ARG A 87 -3.867 -9.978 -6.191 1.00 0.00 C ATOM 1258 CD ARG A 87 -2.759 -10.979 -6.480 1.00 0.00 C ATOM 1259 NE ARG A 87 -3.256 -12.352 -6.509 1.00 0.00 N ATOM 1260 CZ ARG A 87 -2.644 -13.341 -7.150 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -1.519 -13.111 -7.812 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -3.158 -14.564 -7.130 1.00 0.00 N ATOM 0 H ARG A 87 -3.423 -6.451 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.080 -7.281 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.291 -8.607 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.367 -8.943 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.642 -10.455 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.334 -9.670 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.296 -10.741 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.983 -10.890 -5.720 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.120 -12.563 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.121 -12.172 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.051 -13.873 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.024 -14.745 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.687 -15.323 -7.623 1.00 0.00 H new ATOM 1276 N SER A 88 -6.483 -7.371 -6.279 1.00 0.00 N ATOM 1277 CA SER A 88 -7.911 -7.488 -6.009 1.00 0.00 C ATOM 1278 C SER A 88 -8.487 -8.740 -6.662 1.00 0.00 C ATOM 1279 O SER A 88 -8.116 -9.098 -7.779 1.00 0.00 O ATOM 1280 CB SER A 88 -8.651 -6.248 -6.516 1.00 0.00 C ATOM 1281 OG SER A 88 -8.715 -6.236 -7.931 1.00 0.00 O ATOM 0 H SER A 88 -6.256 -7.070 -7.227 1.00 0.00 H new ATOM 0 HA SER A 88 -8.046 -7.567 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.660 -6.228 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.145 -5.349 -6.164 1.00 0.00 H new ATOM 0 HG SER A 88 -9.194 -5.435 -8.230 1.00 0.00 H new ATOM 1287 N GLY A 89 -9.398 -9.403 -5.956 1.00 0.00 N ATOM 1288 CA GLY A 89 -10.012 -10.609 -6.482 1.00 0.00 C ATOM 1289 C GLY A 89 -10.975 -11.245 -5.500 1.00 0.00 C ATOM 1290 O GLY A 89 -11.541 -10.579 -4.633 1.00 0.00 O ATOM 0 H GLY A 89 -9.722 -9.127 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.543 -10.370 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.233 -11.327 -6.739 1.00 0.00 H new ATOM 1294 N PRO A 90 -11.174 -12.565 -5.631 1.00 0.00 N ATOM 1295 CA PRO A 90 -12.076 -13.320 -4.757 1.00 0.00 C ATOM 1296 C PRO A 90 -11.538 -13.443 -3.335 1.00 0.00 C ATOM 1297 O PRO A 90 -12.188 -14.021 -2.463 1.00 0.00 O ATOM 1298 CB PRO A 90 -12.146 -14.697 -5.423 1.00 0.00 C ATOM 1299 CG PRO A 90 -10.870 -14.814 -6.184 1.00 0.00 C ATOM 1300 CD PRO A 90 -10.532 -13.422 -6.642 1.00 0.00 C ATOM 0 HA PRO A 90 -13.045 -12.832 -4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.240 -15.491 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.010 -14.774 -6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.077 -15.222 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.983 -15.488 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.454 -13.262 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.918 -13.223 -7.642 1.00 0.00 H new ATOM 1308 N SER A 91 -10.348 -12.896 -3.108 1.00 0.00 N ATOM 1309 CA SER A 91 -9.722 -12.948 -1.792 1.00 0.00 C ATOM 1310 C SER A 91 -10.660 -12.398 -0.722 1.00 0.00 C ATOM 1311 O SER A 91 -11.080 -13.122 0.181 1.00 0.00 O ATOM 1312 CB SER A 91 -8.414 -12.154 -1.796 1.00 0.00 C ATOM 1313 OG SER A 91 -7.340 -12.944 -2.277 1.00 0.00 O ATOM 0 H SER A 91 -9.798 -12.412 -3.818 1.00 0.00 H new ATOM 0 HA SER A 91 -9.506 -13.991 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.525 -11.267 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.192 -11.808 -0.787 1.00 0.00 H new ATOM 0 HG SER A 91 -6.516 -12.414 -2.271 1.00 0.00 H new ATOM 1319 N SER A 92 -10.985 -11.114 -0.831 1.00 0.00 N ATOM 1320 CA SER A 92 -11.870 -10.465 0.129 1.00 0.00 C ATOM 1321 C SER A 92 -13.074 -9.846 -0.575 1.00 0.00 C ATOM 1322 O SER A 92 -13.042 -9.594 -1.778 1.00 0.00 O ATOM 1323 CB SER A 92 -11.112 -9.390 0.909 1.00 0.00 C ATOM 1324 OG SER A 92 -10.402 -9.954 1.998 1.00 0.00 O ATOM 0 H SER A 92 -10.649 -10.502 -1.575 1.00 0.00 H new ATOM 0 HA SER A 92 -12.228 -11.223 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.417 -8.877 0.245 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.813 -8.641 1.277 1.00 0.00 H new ATOM 0 HG SER A 92 -9.925 -9.246 2.479 1.00 0.00 H new ATOM 1330 N GLY A 93 -14.136 -9.603 0.187 1.00 0.00 N ATOM 1331 CA GLY A 93 -15.336 -9.015 -0.380 1.00 0.00 C ATOM 1332 C GLY A 93 -15.300 -7.500 -0.370 1.00 0.00 C ATOM 1333 O GLY A 93 -15.919 -6.862 0.481 1.00 0.00 O ATOM 0 H GLY A 93 -14.187 -9.803 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.459 -9.366 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.205 -9.358 0.181 1.00 0.00 H new TER 1337 GLY A 93