USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 927 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 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.891 X(o=-0.89,f=-1.3) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.16) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc=-0.000922 (180deg=-0.0553) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -143:sc= 0.259 USER MOD Single : A 25 ASN : amide:sc= 0.344 X(o=0.34,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.12) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 141:sc= 1.39 USER MOD Single : A 38 ASN : amide:sc= 0.127 K(o=0.13,f=-1.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -147:sc= 0 (180deg=-0.767) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00497 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 61:sc= 0.303 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 67 ASN : amide:sc= -7.22! C(o=-7.2!,f=-10!) USER MOD Single : A 68 ASN : amide:sc= -0.0228 K(o=-0.023,f=-0.7) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.713 K(o=-0.71,f=-0.024) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc=-0.00424 X(o=-0.0042,f=-0.0018) USER MOD Single : A 84 HIS : no HD1:sc= 0.485 K(o=0.49,f=-2.3!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -159:sc= -0.0555 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00789 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 146:sc= -0.386 (180deg=-1.86!) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -6.110 -12.551 -9.648 1.00 0.00 N ATOM 41 CA ASN A 4 -5.373 -11.383 -9.178 1.00 0.00 C ATOM 42 C ASN A 4 -4.569 -11.717 -7.922 1.00 0.00 C ATOM 43 O ASN A 4 -5.025 -12.484 -7.075 1.00 0.00 O ATOM 44 CB ASN A 4 -6.338 -10.231 -8.889 1.00 0.00 C ATOM 45 CG ASN A 4 -5.702 -8.873 -9.112 1.00 0.00 C ATOM 46 OD1 ASN A 4 -5.353 -8.174 -8.161 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.547 -8.492 -10.375 1.00 0.00 N ATOM 0 HA ASN A 4 -4.679 -11.080 -9.962 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.216 -10.327 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.685 -10.302 -7.858 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.124 -7.588 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.851 -9.103 -11.133 1.00 0.00 H new ATOM 54 N PRO A 5 -3.355 -11.146 -7.786 1.00 0.00 N ATOM 55 CA PRO A 5 -2.494 -11.392 -6.621 1.00 0.00 C ATOM 56 C PRO A 5 -3.189 -11.053 -5.307 1.00 0.00 C ATOM 57 O PRO A 5 -2.949 -11.695 -4.283 1.00 0.00 O ATOM 58 CB PRO A 5 -1.301 -10.459 -6.850 1.00 0.00 C ATOM 59 CG PRO A 5 -1.288 -10.205 -8.316 1.00 0.00 C ATOM 60 CD PRO A 5 -2.726 -10.225 -8.749 1.00 0.00 C ATOM 0 HA PRO A 5 -2.217 -12.443 -6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.412 -9.531 -6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.370 -10.920 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.825 -9.244 -8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.712 -10.968 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.173 -9.232 -8.707 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.833 -10.580 -9.774 1.00 0.00 H new ATOM 68 N ALA A 6 -4.049 -10.041 -5.342 1.00 0.00 N ATOM 69 CA ALA A 6 -4.780 -9.616 -4.153 1.00 0.00 C ATOM 70 C ALA A 6 -5.877 -10.612 -3.798 1.00 0.00 C ATOM 71 O ALA A 6 -6.297 -10.704 -2.643 1.00 0.00 O ATOM 72 CB ALA A 6 -5.369 -8.229 -4.366 1.00 0.00 C ATOM 0 H ALA A 6 -4.257 -9.499 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.080 -9.577 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.912 -7.923 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.566 -7.519 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.052 -8.250 -5.216 1.00 0.00 H new ATOM 78 N GLU A 7 -6.340 -11.355 -4.798 1.00 0.00 N ATOM 79 CA GLU A 7 -7.390 -12.347 -4.592 1.00 0.00 C ATOM 80 C GLU A 7 -6.827 -13.618 -3.966 1.00 0.00 C ATOM 81 O GLU A 7 -7.373 -14.133 -2.990 1.00 0.00 O ATOM 82 CB GLU A 7 -8.072 -12.679 -5.920 1.00 0.00 C ATOM 83 CG GLU A 7 -9.091 -11.640 -6.358 1.00 0.00 C ATOM 84 CD GLU A 7 -9.850 -12.055 -7.604 1.00 0.00 C ATOM 85 OE1 GLU A 7 -10.901 -12.715 -7.465 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.392 -11.722 -8.716 1.00 0.00 O ATOM 0 H GLU A 7 -6.005 -11.289 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.125 -11.923 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.311 -12.779 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.567 -13.646 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.799 -11.466 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.582 -10.694 -6.545 1.00 0.00 H new ATOM 93 N ASN A 8 -5.732 -14.117 -4.533 1.00 0.00 N ATOM 94 CA ASN A 8 -5.094 -15.331 -4.032 1.00 0.00 C ATOM 95 C ASN A 8 -4.631 -15.149 -2.590 1.00 0.00 C ATOM 96 O ASN A 8 -4.541 -16.114 -1.829 1.00 0.00 O ATOM 97 CB ASN A 8 -3.904 -15.708 -4.917 1.00 0.00 C ATOM 98 CG ASN A 8 -3.723 -17.208 -5.034 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.146 -17.822 -6.013 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.089 -17.807 -4.032 1.00 0.00 N ATOM 0 H ASN A 8 -5.268 -13.700 -5.340 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.829 -16.135 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.045 -15.283 -5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.996 -15.266 -4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.936 -18.815 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.755 -17.259 -3.239 1.00 0.00 H new ATOM 107 N PHE A 9 -4.339 -13.907 -2.221 1.00 0.00 N ATOM 108 CA PHE A 9 -3.885 -13.596 -0.870 1.00 0.00 C ATOM 109 C PHE A 9 -5.071 -13.483 0.085 1.00 0.00 C ATOM 110 O PHE A 9 -5.056 -14.044 1.182 1.00 0.00 O ATOM 111 CB PHE A 9 -3.072 -12.295 -0.877 1.00 0.00 C ATOM 112 CG PHE A 9 -3.295 -11.419 0.327 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.677 -11.706 1.533 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.121 -10.309 0.249 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.879 -10.902 2.639 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.327 -9.502 1.351 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.706 -9.799 2.548 1.00 0.00 C ATOM 0 H PHE A 9 -4.409 -13.098 -2.839 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.246 -14.407 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.012 -12.543 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.321 -11.729 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.030 -12.567 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.610 -10.072 -0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.391 -11.136 3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.973 -8.640 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.866 -9.170 3.411 1.00 0.00 H new ATOM 127 N ARG A 10 -6.098 -12.754 -0.342 1.00 0.00 N ATOM 128 CA ARG A 10 -7.293 -12.558 0.471 1.00 0.00 C ATOM 129 C ARG A 10 -7.988 -13.884 0.764 1.00 0.00 C ATOM 130 O ARG A 10 -8.581 -14.059 1.828 1.00 0.00 O ATOM 131 CB ARG A 10 -8.262 -11.607 -0.232 1.00 0.00 C ATOM 132 CG ARG A 10 -8.041 -10.144 0.116 1.00 0.00 C ATOM 133 CD ARG A 10 -9.023 -9.243 -0.613 1.00 0.00 C ATOM 134 NE ARG A 10 -10.223 -8.988 0.180 1.00 0.00 N ATOM 135 CZ ARG A 10 -11.459 -9.201 -0.261 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.659 -9.671 -1.484 1.00 0.00 N ATOM 137 NH2 ARG A 10 -12.497 -8.943 0.522 1.00 0.00 N ATOM 0 H ARG A 10 -6.126 -12.288 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.983 -12.119 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.164 -11.734 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.283 -11.884 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.148 -10.005 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.022 -9.857 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.538 -8.296 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.305 -9.704 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.106 -8.626 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.863 -9.871 -2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.609 -9.833 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.348 -8.581 1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.445 -9.107 0.183 1.00 0.00 H new ATOM 151 N VAL A 11 -7.910 -14.818 -0.180 1.00 0.00 N ATOM 152 CA VAL A 11 -8.544 -16.121 -0.010 1.00 0.00 C ATOM 153 C VAL A 11 -7.715 -17.030 0.893 1.00 0.00 C ATOM 154 O VAL A 11 -8.255 -17.718 1.757 1.00 0.00 O ATOM 155 CB VAL A 11 -8.775 -16.824 -1.363 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.756 -16.034 -2.215 1.00 0.00 C ATOM 157 CG2 VAL A 11 -7.460 -17.026 -2.101 1.00 0.00 C ATOM 0 H VAL A 11 -7.417 -14.698 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.510 -15.936 0.459 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.205 -17.806 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.906 -16.546 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.709 -15.953 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.357 -15.036 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.649 -17.524 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.993 -16.058 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.794 -17.641 -1.496 1.00 0.00 H new ATOM 167 N LEU A 12 -6.400 -17.024 0.691 1.00 0.00 N ATOM 168 CA LEU A 12 -5.501 -17.852 1.488 1.00 0.00 C ATOM 169 C LEU A 12 -5.543 -17.443 2.957 1.00 0.00 C ATOM 170 O LEU A 12 -5.290 -18.256 3.847 1.00 0.00 O ATOM 171 CB LEU A 12 -4.070 -17.746 0.958 1.00 0.00 C ATOM 172 CG LEU A 12 -3.270 -19.050 0.993 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.509 -19.244 -0.309 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.314 -19.056 2.177 1.00 0.00 C ATOM 0 H LEU A 12 -5.934 -16.456 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.835 -18.887 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.105 -17.386 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.537 -16.995 1.541 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.967 -19.880 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.946 -20.176 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.214 -19.284 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.821 -18.411 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.753 -19.990 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.622 -18.218 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.881 -18.964 3.103 1.00 0.00 H new ATOM 186 N VAL A 13 -5.867 -16.177 3.204 1.00 0.00 N ATOM 187 CA VAL A 13 -5.939 -15.661 4.567 1.00 0.00 C ATOM 188 C VAL A 13 -7.367 -15.718 5.101 1.00 0.00 C ATOM 189 O VAL A 13 -7.625 -15.358 6.250 1.00 0.00 O ATOM 190 CB VAL A 13 -5.417 -14.214 4.659 1.00 0.00 C ATOM 191 CG1 VAL A 13 -3.981 -14.133 4.163 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.311 -13.264 3.878 1.00 0.00 C ATOM 0 H VAL A 13 -6.083 -15.491 2.480 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.301 -16.299 5.178 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.437 -13.910 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.629 -13.104 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.348 -14.777 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.936 -14.460 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.922 -12.249 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.332 -13.563 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.322 -13.298 4.285 1.00 0.00 H new ATOM 202 N LYS A 14 -8.291 -16.173 4.260 1.00 0.00 N ATOM 203 CA LYS A 14 -9.693 -16.278 4.647 1.00 0.00 C ATOM 204 C LYS A 14 -10.208 -17.706 4.472 1.00 0.00 C ATOM 205 O LYS A 14 -11.320 -17.920 3.989 1.00 0.00 O ATOM 206 CB LYS A 14 -10.546 -15.314 3.823 1.00 0.00 C ATOM 207 CG LYS A 14 -11.657 -14.654 4.620 1.00 0.00 C ATOM 208 CD LYS A 14 -12.810 -14.231 3.726 1.00 0.00 C ATOM 209 CE LYS A 14 -14.090 -14.035 4.522 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.161 -13.402 3.704 1.00 0.00 N ATOM 0 H LYS A 14 -8.093 -16.475 3.306 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.769 -16.012 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.903 -14.541 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.984 -15.855 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.020 -15.345 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.263 -13.783 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.553 -13.304 3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.971 -14.986 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.438 -14.999 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.884 -13.414 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.017 -13.286 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.839 -12.471 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.376 -14.007 2.886 1.00 0.00 H new ATOM 224 N GLN A 15 -9.394 -18.679 4.870 1.00 0.00 N ATOM 225 CA GLN A 15 -9.773 -20.084 4.760 1.00 0.00 C ATOM 226 C GLN A 15 -9.880 -20.728 6.138 1.00 0.00 C ATOM 227 O GLN A 15 -10.862 -21.407 6.441 1.00 0.00 O ATOM 228 CB GLN A 15 -8.752 -20.845 3.909 1.00 0.00 C ATOM 229 CG GLN A 15 -8.945 -20.655 2.413 1.00 0.00 C ATOM 230 CD GLN A 15 -10.125 -21.440 1.873 1.00 0.00 C ATOM 231 OE1 GLN A 15 -11.256 -20.954 1.863 1.00 0.00 O ATOM 232 NE2 GLN A 15 -9.865 -22.660 1.420 1.00 0.00 N ATOM 0 H GLN A 15 -8.469 -18.521 5.271 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.749 -20.134 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.749 -20.518 4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.816 -21.908 4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.090 -19.596 2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.039 -20.963 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.912 -23.022 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.618 -23.236 1.044 1.00 0.00 H new ATOM 241 N LYS A 16 -8.867 -20.500 6.969 1.00 0.00 N ATOM 242 CA LYS A 16 -8.834 -21.051 8.320 1.00 0.00 C ATOM 243 C LYS A 16 -7.561 -20.622 9.038 1.00 0.00 C ATOM 244 O LYS A 16 -7.586 -20.281 10.221 1.00 0.00 O ATOM 245 CB LYS A 16 -8.918 -22.581 8.282 1.00 0.00 C ATOM 246 CG LYS A 16 -7.819 -23.231 7.458 1.00 0.00 C ATOM 247 CD LYS A 16 -7.366 -24.546 8.073 1.00 0.00 C ATOM 248 CE LYS A 16 -7.010 -25.567 7.005 1.00 0.00 C ATOM 249 NZ LYS A 16 -8.221 -26.108 6.327 1.00 0.00 N ATOM 0 H LYS A 16 -8.053 -19.934 6.728 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.696 -20.666 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.871 -22.964 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.886 -22.873 7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.178 -23.407 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.970 -22.552 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.501 -24.371 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.157 -24.943 8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.356 -25.105 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.451 -26.386 7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.965 -26.957 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.937 -26.356 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.608 -25.389 5.683 1.00 0.00 H new ATOM 263 N LYS A 17 -6.452 -20.635 8.306 1.00 0.00 N ATOM 264 CA LYS A 17 -5.162 -20.251 8.847 1.00 0.00 C ATOM 265 C LYS A 17 -4.243 -19.801 7.723 1.00 0.00 C ATOM 266 O LYS A 17 -4.382 -20.235 6.578 1.00 0.00 O ATOM 267 CB LYS A 17 -4.520 -21.416 9.604 1.00 0.00 C ATOM 268 CG LYS A 17 -5.065 -21.612 11.009 1.00 0.00 C ATOM 269 CD LYS A 17 -5.956 -22.841 11.094 1.00 0.00 C ATOM 270 CE LYS A 17 -6.081 -23.340 12.525 1.00 0.00 C ATOM 271 NZ LYS A 17 -6.912 -24.572 12.613 1.00 0.00 N ATOM 0 H LYS A 17 -6.426 -20.912 7.325 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.314 -19.427 9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.671 -22.333 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.444 -21.250 9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.237 -21.712 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.631 -20.730 11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.945 -22.603 10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.547 -23.632 10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.088 -23.542 12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.523 -22.559 13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.973 -24.880 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.867 -24.373 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.477 -25.325 12.043 1.00 0.00 H new ATOM 285 N ALA A 18 -3.304 -18.939 8.064 1.00 0.00 N ATOM 286 CA ALA A 18 -2.346 -18.409 7.100 1.00 0.00 C ATOM 287 C ALA A 18 -1.391 -17.433 7.772 1.00 0.00 C ATOM 288 O ALA A 18 -0.242 -17.285 7.355 1.00 0.00 O ATOM 289 CB ALA A 18 -3.069 -17.726 5.947 1.00 0.00 C ATOM 0 H ALA A 18 -3.180 -18.585 9.012 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.767 -19.243 6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.338 -17.337 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.714 -18.447 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.673 -16.905 6.332 1.00 0.00 H new ATOM 295 N SER A 19 -1.882 -16.774 8.821 1.00 0.00 N ATOM 296 CA SER A 19 -1.087 -15.800 9.567 1.00 0.00 C ATOM 297 C SER A 19 -0.712 -14.610 8.687 1.00 0.00 C ATOM 298 O SER A 19 -0.229 -14.779 7.568 1.00 0.00 O ATOM 299 CB SER A 19 0.177 -16.455 10.129 1.00 0.00 C ATOM 300 OG SER A 19 -0.091 -17.769 10.589 1.00 0.00 O ATOM 0 H SER A 19 -2.831 -16.898 9.174 1.00 0.00 H new ATOM 0 HA SER A 19 -1.695 -15.437 10.396 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.948 -16.486 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.569 -15.852 10.948 1.00 0.00 H new ATOM 0 HG SER A 19 0.732 -18.166 10.942 1.00 0.00 H new ATOM 306 N PHE A 20 -0.948 -13.405 9.199 1.00 0.00 N ATOM 307 CA PHE A 20 -0.632 -12.183 8.464 1.00 0.00 C ATOM 308 C PHE A 20 0.867 -11.891 8.507 1.00 0.00 C ATOM 309 O PHE A 20 1.293 -10.833 8.972 1.00 0.00 O ATOM 310 CB PHE A 20 -1.414 -11.004 9.047 1.00 0.00 C ATOM 311 CG PHE A 20 -1.948 -10.060 8.007 1.00 0.00 C ATOM 312 CD1 PHE A 20 -2.873 -10.489 7.069 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.524 -8.741 7.969 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.366 -9.622 6.113 1.00 0.00 C ATOM 315 CE2 PHE A 20 -2.013 -7.869 7.016 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.935 -8.310 6.086 1.00 0.00 C ATOM 0 H PHE A 20 -1.357 -13.248 10.120 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.922 -12.326 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.246 -11.388 9.638 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.767 -10.452 9.728 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.213 -11.514 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.803 -8.391 8.693 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.087 -9.969 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.675 -6.843 6.998 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.318 -7.630 5.339 1.00 0.00 H new ATOM 326 N GLU A 21 1.664 -12.836 8.013 1.00 0.00 N ATOM 327 CA GLU A 21 3.114 -12.685 7.995 1.00 0.00 C ATOM 328 C GLU A 21 3.681 -13.082 6.637 1.00 0.00 C ATOM 329 O GLU A 21 4.282 -12.263 5.941 1.00 0.00 O ATOM 330 CB GLU A 21 3.750 -13.536 9.096 1.00 0.00 C ATOM 331 CG GLU A 21 4.639 -12.742 10.039 1.00 0.00 C ATOM 332 CD GLU A 21 5.178 -13.584 11.178 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.946 -14.532 10.905 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.834 -13.298 12.343 1.00 0.00 O ATOM 0 H GLU A 21 1.328 -13.715 7.620 1.00 0.00 H new ATOM 0 HA GLU A 21 3.350 -11.636 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.961 -14.018 9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.339 -14.330 8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.473 -12.320 9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.073 -11.905 10.447 1.00 0.00 H new ATOM 341 N GLU A 22 3.491 -14.346 6.268 1.00 0.00 N ATOM 342 CA GLU A 22 3.979 -14.850 4.991 1.00 0.00 C ATOM 343 C GLU A 22 3.203 -14.228 3.836 1.00 0.00 C ATOM 344 O GLU A 22 3.784 -13.826 2.828 1.00 0.00 O ATOM 345 CB GLU A 22 3.855 -16.374 4.944 1.00 0.00 C ATOM 346 CG GLU A 22 4.216 -17.057 6.253 1.00 0.00 C ATOM 347 CD GLU A 22 4.388 -18.556 6.101 1.00 0.00 C ATOM 348 OE1 GLU A 22 5.337 -18.976 5.406 1.00 0.00 O ATOM 349 OE2 GLU A 22 3.575 -19.308 6.678 1.00 0.00 O ATOM 0 H GLU A 22 3.003 -15.038 6.836 1.00 0.00 H new ATOM 0 HA GLU A 22 5.029 -14.575 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.832 -16.638 4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.500 -16.758 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.139 -16.627 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.438 -16.857 6.989 1.00 0.00 H new ATOM 356 N ALA A 23 1.884 -14.152 3.993 1.00 0.00 N ATOM 357 CA ALA A 23 1.023 -13.577 2.968 1.00 0.00 C ATOM 358 C ALA A 23 1.282 -12.082 2.817 1.00 0.00 C ATOM 359 O ALA A 23 1.143 -11.523 1.727 1.00 0.00 O ATOM 360 CB ALA A 23 -0.438 -13.832 3.303 1.00 0.00 C ATOM 0 H ALA A 23 1.389 -14.482 4.822 1.00 0.00 H new ATOM 0 HA ALA A 23 1.253 -14.059 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.070 -13.397 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.617 -14.906 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.676 -13.376 4.264 1.00 0.00 H new ATOM 366 N SER A 24 1.660 -11.439 3.917 1.00 0.00 N ATOM 367 CA SER A 24 1.944 -10.010 3.907 1.00 0.00 C ATOM 368 C SER A 24 3.278 -9.736 3.227 1.00 0.00 C ATOM 369 O SER A 24 3.346 -8.989 2.249 1.00 0.00 O ATOM 370 CB SER A 24 1.965 -9.465 5.337 1.00 0.00 C ATOM 371 OG SER A 24 0.724 -9.685 5.984 1.00 0.00 O ATOM 0 H SER A 24 1.777 -11.886 4.827 1.00 0.00 H new ATOM 0 HA SER A 24 1.156 -9.506 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.764 -9.947 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.186 -8.398 5.320 1.00 0.00 H new ATOM 0 HG SER A 24 0.515 -8.920 6.559 1.00 0.00 H new ATOM 377 N ASN A 25 4.339 -10.342 3.756 1.00 0.00 N ATOM 378 CA ASN A 25 5.676 -10.173 3.199 1.00 0.00 C ATOM 379 C ASN A 25 5.676 -10.450 1.699 1.00 0.00 C ATOM 380 O ASN A 25 6.295 -9.720 0.922 1.00 0.00 O ATOM 381 CB ASN A 25 6.667 -11.105 3.900 1.00 0.00 C ATOM 382 CG ASN A 25 7.361 -10.436 5.071 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.474 -9.929 4.938 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.704 -10.433 6.224 1.00 0.00 N ATOM 0 H ASN A 25 4.297 -10.955 4.570 1.00 0.00 H new ATOM 0 HA ASN A 25 5.983 -9.140 3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.141 -11.992 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.415 -11.442 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.120 -9.998 7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.783 -10.866 6.287 1.00 0.00 H new ATOM 391 N GLN A 26 4.974 -11.506 1.299 1.00 0.00 N ATOM 392 CA GLN A 26 4.883 -11.875 -0.108 1.00 0.00 C ATOM 393 C GLN A 26 4.190 -10.775 -0.901 1.00 0.00 C ATOM 394 O GLN A 26 4.640 -10.399 -1.984 1.00 0.00 O ATOM 395 CB GLN A 26 4.124 -13.195 -0.267 1.00 0.00 C ATOM 396 CG GLN A 26 4.468 -13.942 -1.545 1.00 0.00 C ATOM 397 CD GLN A 26 4.331 -15.445 -1.395 1.00 0.00 C ATOM 398 OE1 GLN A 26 4.906 -16.045 -0.487 1.00 0.00 O ATOM 399 NE2 GLN A 26 3.566 -16.062 -2.289 1.00 0.00 N ATOM 0 H GLN A 26 4.460 -12.121 1.930 1.00 0.00 H new ATOM 0 HA GLN A 26 5.894 -12.004 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.341 -13.835 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.053 -12.993 -0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.816 -13.600 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.490 -13.701 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.108 -15.525 -3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.437 -17.073 -2.239 1.00 0.00 H new ATOM 408 N LEU A 27 3.087 -10.270 -0.357 1.00 0.00 N ATOM 409 CA LEU A 27 2.334 -9.204 -1.005 1.00 0.00 C ATOM 410 C LEU A 27 3.235 -8.004 -1.276 1.00 0.00 C ATOM 411 O LEU A 27 3.221 -7.439 -2.371 1.00 0.00 O ATOM 412 CB LEU A 27 1.146 -8.783 -0.134 1.00 0.00 C ATOM 413 CG LEU A 27 -0.129 -8.410 -0.899 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.102 -7.182 -1.766 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.609 -9.580 -1.746 1.00 0.00 C ATOM 0 H LEU A 27 2.695 -10.583 0.531 1.00 0.00 H new ATOM 0 HA LEU A 27 1.956 -9.580 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.913 -9.598 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.447 -7.930 0.475 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.905 -8.173 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.816 -6.936 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.392 -6.341 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.895 -7.388 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.515 -9.295 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.165 -9.852 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.822 -10.433 -1.101 1.00 0.00 H new ATOM 427 N ILE A 28 4.018 -7.616 -0.271 1.00 0.00 N ATOM 428 CA ILE A 28 4.930 -6.486 -0.412 1.00 0.00 C ATOM 429 C ILE A 28 5.976 -6.769 -1.485 1.00 0.00 C ATOM 430 O ILE A 28 6.307 -5.898 -2.290 1.00 0.00 O ATOM 431 CB ILE A 28 5.636 -6.160 0.922 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.667 -5.455 1.873 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.868 -5.298 0.685 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.338 -6.264 3.108 1.00 0.00 C ATOM 0 H ILE A 28 4.038 -8.065 0.644 1.00 0.00 H new ATOM 0 HA ILE A 28 4.333 -5.623 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 28 5.959 -7.096 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.098 -4.501 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.744 -5.231 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.349 -5.081 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.566 -5.831 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.572 -4.364 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.646 -5.703 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.877 -7.207 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.253 -6.466 3.665 1.00 0.00 H new ATOM 446 N ASN A 29 6.494 -7.995 -1.488 1.00 0.00 N ATOM 447 CA ASN A 29 7.496 -8.398 -2.467 1.00 0.00 C ATOM 448 C ASN A 29 6.938 -8.262 -3.877 1.00 0.00 C ATOM 449 O ASN A 29 7.614 -7.765 -4.781 1.00 0.00 O ATOM 450 CB ASN A 29 7.939 -9.840 -2.215 1.00 0.00 C ATOM 451 CG ASN A 29 9.404 -10.060 -2.539 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.749 -10.522 -3.625 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.274 -9.730 -1.592 1.00 0.00 N ATOM 0 H ASN A 29 6.236 -8.725 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 29 8.362 -7.744 -2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.758 -10.095 -1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.331 -10.515 -2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.274 -9.857 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.943 -9.350 -0.705 1.00 0.00 H new ATOM 460 N HIS A 30 5.697 -8.706 -4.057 1.00 0.00 N ATOM 461 CA HIS A 30 5.038 -8.623 -5.352 1.00 0.00 C ATOM 462 C HIS A 30 4.948 -7.170 -5.796 1.00 0.00 C ATOM 463 O HIS A 30 5.289 -6.834 -6.931 1.00 0.00 O ATOM 464 CB HIS A 30 3.639 -9.238 -5.281 1.00 0.00 C ATOM 465 CG HIS A 30 3.583 -10.654 -5.766 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.193 -11.700 -5.105 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.985 -11.196 -6.853 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.972 -12.823 -5.766 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.242 -12.544 -6.829 1.00 0.00 N ATOM 0 H HIS A 30 5.130 -9.126 -3.321 1.00 0.00 H new ATOM 0 HA HIS A 30 5.626 -9.183 -6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.287 -9.201 -4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.954 -8.632 -5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.412 -10.666 -7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.328 -13.803 -5.484 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.921 -13.221 -7.521 1.00 0.00 H new ATOM 478 N ILE A 31 4.483 -6.313 -4.890 1.00 0.00 N ATOM 479 CA ILE A 31 4.364 -4.890 -5.180 1.00 0.00 C ATOM 480 C ILE A 31 5.707 -4.332 -5.635 1.00 0.00 C ATOM 481 O ILE A 31 5.795 -3.647 -6.654 1.00 0.00 O ATOM 482 CB ILE A 31 3.874 -4.096 -3.952 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.463 -4.544 -3.556 1.00 0.00 C ATOM 484 CG2 ILE A 31 3.899 -2.601 -4.239 1.00 0.00 C ATOM 485 CD1 ILE A 31 1.987 -3.960 -2.242 1.00 0.00 C ATOM 0 H ILE A 31 4.184 -6.580 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 31 3.627 -4.781 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 31 4.547 -4.297 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.766 -4.259 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.442 -5.632 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.550 -2.056 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.917 -2.293 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.247 -2.382 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.981 -4.321 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.661 -4.266 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.975 -2.872 -2.310 1.00 0.00 H new ATOM 497 N GLU A 32 6.751 -4.631 -4.865 1.00 0.00 N ATOM 498 CA GLU A 32 8.097 -4.172 -5.189 1.00 0.00 C ATOM 499 C GLU A 32 8.484 -4.595 -6.601 1.00 0.00 C ATOM 500 O GLU A 32 9.030 -3.803 -7.370 1.00 0.00 O ATOM 501 CB GLU A 32 9.106 -4.730 -4.181 1.00 0.00 C ATOM 502 CG GLU A 32 9.085 -4.014 -2.841 1.00 0.00 C ATOM 503 CD GLU A 32 10.101 -4.575 -1.865 1.00 0.00 C ATOM 504 OE1 GLU A 32 9.793 -5.589 -1.203 1.00 0.00 O ATOM 505 OE2 GLU A 32 11.206 -4.000 -1.763 1.00 0.00 O ATOM 0 H GLU A 32 6.689 -5.189 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 32 8.108 -3.083 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.900 -5.788 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.108 -4.660 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.283 -2.953 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.088 -4.092 -2.407 1.00 0.00 H new ATOM 512 N GLN A 33 8.200 -5.851 -6.934 1.00 0.00 N ATOM 513 CA GLN A 33 8.509 -6.378 -8.257 1.00 0.00 C ATOM 514 C GLN A 33 7.810 -5.552 -9.329 1.00 0.00 C ATOM 515 O GLN A 33 8.409 -5.194 -10.343 1.00 0.00 O ATOM 516 CB GLN A 33 8.081 -7.843 -8.363 1.00 0.00 C ATOM 517 CG GLN A 33 9.122 -8.819 -7.842 1.00 0.00 C ATOM 518 CD GLN A 33 8.656 -10.260 -7.908 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.751 -10.910 -8.949 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.145 -10.769 -6.793 1.00 0.00 N ATOM 0 H GLN A 33 7.757 -6.521 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 33 9.587 -6.317 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.154 -7.983 -7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.866 -8.076 -9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.038 -8.711 -8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.366 -8.567 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.085 -10.196 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.813 -11.733 -6.778 1.00 0.00 H new ATOM 529 N PHE A 34 6.531 -5.266 -9.104 1.00 0.00 N ATOM 530 CA PHE A 34 5.750 -4.468 -10.040 1.00 0.00 C ATOM 531 C PHE A 34 6.409 -3.112 -10.277 1.00 0.00 C ATOM 532 O PHE A 34 6.298 -2.540 -11.362 1.00 0.00 O ATOM 533 CB PHE A 34 4.325 -4.273 -9.518 1.00 0.00 C ATOM 534 CG PHE A 34 3.441 -5.473 -9.713 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.205 -5.979 -10.982 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.846 -6.097 -8.628 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.393 -7.082 -11.165 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.034 -7.199 -8.803 1.00 0.00 C ATOM 539 CZ PHE A 34 1.807 -7.693 -10.074 1.00 0.00 C ATOM 0 H PHE A 34 6.014 -5.576 -8.281 1.00 0.00 H new ATOM 0 HA PHE A 34 5.708 -5.004 -10.988 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.366 -4.032 -8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.877 -3.417 -10.022 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.662 -5.505 -11.838 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.020 -5.716 -7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.217 -7.465 -12.159 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.577 -7.675 -7.948 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.172 -8.556 -10.214 1.00 0.00 H new ATOM 549 N LEU A 35 7.095 -2.602 -9.257 1.00 0.00 N ATOM 550 CA LEU A 35 7.775 -1.314 -9.355 1.00 0.00 C ATOM 551 C LEU A 35 9.076 -1.442 -10.143 1.00 0.00 C ATOM 552 O LEU A 35 9.627 -0.449 -10.618 1.00 0.00 O ATOM 553 CB LEU A 35 8.065 -0.758 -7.959 1.00 0.00 C ATOM 554 CG LEU A 35 6.899 -0.018 -7.302 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.137 0.133 -5.808 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.697 1.343 -7.952 1.00 0.00 C ATOM 0 H LEU A 35 7.194 -3.062 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 35 7.117 -0.625 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.364 -1.582 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.916 -0.079 -8.024 1.00 0.00 H new ATOM 0 HG LEU A 35 5.993 -0.606 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.297 0.662 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.231 -0.853 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.054 0.699 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.863 1.855 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.603 1.939 -7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.480 1.211 -9.012 1.00 0.00 H new ATOM 568 N ASP A 36 9.559 -2.673 -10.276 1.00 0.00 N ATOM 569 CA ASP A 36 10.797 -2.937 -11.004 1.00 0.00 C ATOM 570 C ASP A 36 10.632 -2.614 -12.486 1.00 0.00 C ATOM 571 O ASP A 36 11.588 -2.683 -13.259 1.00 0.00 O ATOM 572 CB ASP A 36 11.221 -4.396 -10.830 1.00 0.00 C ATOM 573 CG ASP A 36 12.677 -4.622 -11.185 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.542 -4.402 -10.311 1.00 0.00 O ATOM 575 OD2 ASP A 36 12.954 -5.018 -12.337 1.00 0.00 O ATOM 0 H ASP A 36 9.112 -3.505 -9.889 1.00 0.00 H new ATOM 0 HA ASP A 36 11.575 -2.294 -10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.050 -4.700 -9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.595 -5.031 -11.457 1.00 0.00 H new ATOM 580 N THR A 37 9.409 -2.262 -12.873 1.00 0.00 N ATOM 581 CA THR A 37 9.103 -1.923 -14.254 1.00 0.00 C ATOM 582 C THR A 37 8.364 -0.594 -14.323 1.00 0.00 C ATOM 583 O THR A 37 7.257 -0.460 -13.802 1.00 0.00 O ATOM 584 CB THR A 37 8.249 -3.013 -14.927 1.00 0.00 C ATOM 585 OG1 THR A 37 8.040 -4.102 -14.021 1.00 0.00 O ATOM 586 CG2 THR A 37 8.921 -3.521 -16.194 1.00 0.00 C ATOM 0 H THR A 37 8.610 -2.205 -12.242 1.00 0.00 H new ATOM 0 HA THR A 37 10.051 -1.845 -14.787 1.00 0.00 H new ATOM 0 HB THR A 37 7.287 -2.576 -15.195 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.121 -4.430 -14.110 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.299 -4.290 -16.652 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.051 -2.695 -16.893 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.895 -3.942 -15.945 1.00 0.00 H new ATOM 594 N ASN A 38 8.991 0.386 -14.959 1.00 0.00 N ATOM 595 CA ASN A 38 8.403 1.715 -15.098 1.00 0.00 C ATOM 596 C ASN A 38 7.326 1.737 -16.182 1.00 0.00 C ATOM 597 O ASN A 38 7.423 2.490 -17.152 1.00 0.00 O ATOM 598 CB ASN A 38 9.489 2.743 -15.421 1.00 0.00 C ATOM 599 CG ASN A 38 10.426 2.271 -16.516 1.00 0.00 C ATOM 600 OD1 ASN A 38 11.339 1.482 -16.271 1.00 0.00 O ATOM 601 ND2 ASN A 38 10.203 2.752 -17.734 1.00 0.00 N ATOM 0 H ASN A 38 9.911 0.287 -15.389 1.00 0.00 H new ATOM 0 HA ASN A 38 7.934 1.973 -14.149 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.020 3.679 -15.726 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.065 2.954 -14.520 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.800 2.469 -18.511 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.435 3.404 -17.892 1.00 0.00 H new ATOM 608 N GLU A 39 6.303 0.906 -16.012 1.00 0.00 N ATOM 609 CA GLU A 39 5.206 0.833 -16.970 1.00 0.00 C ATOM 610 C GLU A 39 3.881 1.170 -16.295 1.00 0.00 C ATOM 611 O GLU A 39 3.607 0.713 -15.185 1.00 0.00 O ATOM 612 CB GLU A 39 5.136 -0.561 -17.595 1.00 0.00 C ATOM 613 CG GLU A 39 6.123 -0.768 -18.733 1.00 0.00 C ATOM 614 CD GLU A 39 5.643 -0.166 -20.038 1.00 0.00 C ATOM 615 OE1 GLU A 39 5.866 1.044 -20.251 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.043 -0.905 -20.848 1.00 0.00 O ATOM 0 H GLU A 39 6.211 0.272 -15.218 1.00 0.00 H new ATOM 0 HA GLU A 39 5.391 1.563 -17.758 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.324 -1.306 -16.822 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.126 -0.734 -17.966 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.081 -0.324 -18.463 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.294 -1.836 -18.871 1.00 0.00 H new ATOM 623 N THR A 40 3.062 1.970 -16.971 1.00 0.00 N ATOM 624 CA THR A 40 1.765 2.372 -16.435 1.00 0.00 C ATOM 625 C THR A 40 0.920 1.161 -16.022 1.00 0.00 C ATOM 626 O THR A 40 0.391 1.128 -14.910 1.00 0.00 O ATOM 627 CB THR A 40 0.973 3.223 -17.446 1.00 0.00 C ATOM 628 OG1 THR A 40 1.860 4.105 -18.144 1.00 0.00 O ATOM 629 CG2 THR A 40 -0.105 4.034 -16.743 1.00 0.00 C ATOM 0 H THR A 40 3.274 2.353 -17.892 1.00 0.00 H new ATOM 0 HA THR A 40 1.972 2.974 -15.550 1.00 0.00 H new ATOM 0 HB THR A 40 0.494 2.550 -18.158 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.350 4.641 -18.786 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.651 4.627 -17.477 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.795 3.360 -16.236 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.357 4.697 -16.012 1.00 0.00 H new ATOM 637 N PRO A 41 0.776 0.148 -16.904 1.00 0.00 N ATOM 638 CA PRO A 41 -0.015 -1.051 -16.596 1.00 0.00 C ATOM 639 C PRO A 41 0.500 -1.789 -15.364 1.00 0.00 C ATOM 640 O PRO A 41 -0.231 -2.558 -14.740 1.00 0.00 O ATOM 641 CB PRO A 41 0.146 -1.926 -17.844 1.00 0.00 C ATOM 642 CG PRO A 41 0.546 -0.985 -18.927 1.00 0.00 C ATOM 643 CD PRO A 41 1.358 0.085 -18.258 1.00 0.00 C ATOM 0 HA PRO A 41 -1.051 -0.799 -16.368 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.902 -2.696 -17.691 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.785 -2.438 -18.090 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.128 -1.496 -19.694 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.329 -0.561 -19.420 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.417 -0.171 -18.230 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.274 1.039 -18.778 1.00 0.00 H new ATOM 651 N TYR A 42 1.761 -1.550 -15.019 1.00 0.00 N ATOM 652 CA TYR A 42 2.374 -2.195 -13.862 1.00 0.00 C ATOM 653 C TYR A 42 2.066 -1.431 -12.579 1.00 0.00 C ATOM 654 O TYR A 42 1.869 -2.031 -11.522 1.00 0.00 O ATOM 655 CB TYR A 42 3.887 -2.306 -14.056 1.00 0.00 C ATOM 656 CG TYR A 42 4.313 -3.552 -14.798 1.00 0.00 C ATOM 657 CD1 TYR A 42 4.106 -3.675 -16.166 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.924 -4.606 -14.131 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.494 -4.813 -16.848 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.316 -5.748 -14.806 1.00 0.00 C ATOM 661 CZ TYR A 42 5.098 -5.846 -16.163 1.00 0.00 C ATOM 662 OH TYR A 42 5.486 -6.980 -16.838 1.00 0.00 O ATOM 0 H TYR A 42 2.379 -0.914 -15.524 1.00 0.00 H new ATOM 0 HA TYR A 42 1.952 -3.196 -13.772 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.240 -1.430 -14.601 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.372 -2.291 -13.080 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.634 -2.868 -16.706 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.096 -4.533 -13.067 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.325 -4.893 -17.912 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.790 -6.558 -14.272 1.00 0.00 H new ATOM 0 HH TYR A 42 5.896 -7.610 -16.210 1.00 0.00 H new ATOM 672 N PHE A 43 2.029 -0.106 -12.674 1.00 0.00 N ATOM 673 CA PHE A 43 1.746 0.736 -11.517 1.00 0.00 C ATOM 674 C PHE A 43 0.289 0.598 -11.088 1.00 0.00 C ATOM 675 O PHE A 43 -0.055 0.833 -9.928 1.00 0.00 O ATOM 676 CB PHE A 43 2.069 2.198 -11.829 1.00 0.00 C ATOM 677 CG PHE A 43 3.493 2.570 -11.531 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.512 2.218 -12.403 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.814 3.271 -10.379 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.824 2.556 -12.130 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.124 3.612 -10.102 1.00 0.00 C ATOM 682 CZ PHE A 43 6.131 3.255 -10.979 1.00 0.00 C ATOM 0 H PHE A 43 2.191 0.408 -13.540 1.00 0.00 H new ATOM 0 HA PHE A 43 2.379 0.405 -10.694 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.863 2.391 -12.882 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.405 2.841 -11.251 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.278 1.674 -13.306 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.032 3.554 -9.690 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.609 2.274 -12.816 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.361 4.157 -9.200 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.155 3.522 -10.765 1.00 0.00 H new ATOM 692 N MET A 44 -0.566 0.214 -12.031 1.00 0.00 N ATOM 693 CA MET A 44 -1.985 0.036 -11.748 1.00 0.00 C ATOM 694 C MET A 44 -2.196 -1.162 -10.828 1.00 0.00 C ATOM 695 O MET A 44 -3.117 -1.179 -10.010 1.00 0.00 O ATOM 696 CB MET A 44 -2.769 -0.157 -13.047 1.00 0.00 C ATOM 697 CG MET A 44 -2.851 1.099 -13.899 1.00 0.00 C ATOM 698 SD MET A 44 -3.791 0.848 -15.417 1.00 0.00 S ATOM 699 CE MET A 44 -3.782 2.505 -16.099 1.00 0.00 C ATOM 0 H MET A 44 -0.301 0.020 -12.997 1.00 0.00 H new ATOM 0 HA MET A 44 -2.351 0.933 -11.248 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.302 -0.951 -13.629 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.779 -0.490 -12.806 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.312 1.898 -13.318 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.843 1.429 -14.151 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.712 2.681 -16.639 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.688 3.231 -15.291 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.940 2.612 -16.783 1.00 0.00 H new ATOM 709 N LYS A 45 -1.330 -2.161 -10.972 1.00 0.00 N ATOM 710 CA LYS A 45 -1.407 -3.365 -10.154 1.00 0.00 C ATOM 711 C LYS A 45 -0.922 -3.081 -8.737 1.00 0.00 C ATOM 712 O LYS A 45 -1.386 -3.696 -7.775 1.00 0.00 O ATOM 713 CB LYS A 45 -0.575 -4.486 -10.779 1.00 0.00 C ATOM 714 CG LYS A 45 -1.190 -5.865 -10.612 1.00 0.00 C ATOM 715 CD LYS A 45 -1.228 -6.621 -11.931 1.00 0.00 C ATOM 716 CE LYS A 45 -2.268 -7.730 -11.908 1.00 0.00 C ATOM 717 NZ LYS A 45 -1.983 -8.779 -12.926 1.00 0.00 N ATOM 0 H LYS A 45 -0.567 -2.159 -11.648 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.449 -3.683 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.445 -4.282 -11.842 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.418 -4.483 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.616 -6.435 -9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.201 -5.768 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.451 -5.928 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.246 -7.046 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.294 -8.183 -10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.255 -7.306 -12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.714 -9.517 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.983 -8.352 -13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.052 -9.202 -12.737 1.00 0.00 H new ATOM 731 N SER A 46 0.011 -2.139 -8.613 1.00 0.00 N ATOM 732 CA SER A 46 0.552 -1.769 -7.313 1.00 0.00 C ATOM 733 C SER A 46 -0.541 -1.158 -6.446 1.00 0.00 C ATOM 734 O SER A 46 -0.738 -1.563 -5.299 1.00 0.00 O ATOM 735 CB SER A 46 1.710 -0.783 -7.477 1.00 0.00 C ATOM 736 OG SER A 46 2.545 -1.151 -8.560 1.00 0.00 O ATOM 0 H SER A 46 0.406 -1.620 -9.398 1.00 0.00 H new ATOM 0 HA SER A 46 0.929 -2.667 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.317 0.220 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.295 -0.749 -6.558 1.00 0.00 H new ATOM 0 HG SER A 46 3.276 -0.504 -8.644 1.00 0.00 H new ATOM 742 N ILE A 47 -1.244 -0.175 -7.002 1.00 0.00 N ATOM 743 CA ILE A 47 -2.333 0.475 -6.289 1.00 0.00 C ATOM 744 C ILE A 47 -3.398 -0.548 -5.922 1.00 0.00 C ATOM 745 O ILE A 47 -3.958 -0.514 -4.826 1.00 0.00 O ATOM 746 CB ILE A 47 -2.983 1.593 -7.126 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.912 2.447 -7.804 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.880 2.457 -6.252 1.00 0.00 C ATOM 749 CD1 ILE A 47 -2.394 3.120 -9.070 1.00 0.00 C ATOM 0 H ILE A 47 -1.078 0.186 -7.941 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.909 0.922 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.596 1.132 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.568 3.209 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.052 1.819 -8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.332 3.242 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.665 1.840 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.287 2.909 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.584 3.710 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.711 2.362 -9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.235 3.773 -8.837 1.00 0.00 H new ATOM 761 N ASP A 48 -3.674 -1.457 -6.855 1.00 0.00 N ATOM 762 CA ASP A 48 -4.663 -2.503 -6.630 1.00 0.00 C ATOM 763 C ASP A 48 -4.243 -3.378 -5.456 1.00 0.00 C ATOM 764 O ASP A 48 -5.079 -3.974 -4.778 1.00 0.00 O ATOM 765 CB ASP A 48 -4.833 -3.356 -7.888 1.00 0.00 C ATOM 766 CG ASP A 48 -6.003 -2.905 -8.739 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.159 -3.172 -8.349 1.00 0.00 O ATOM 768 OD2 ASP A 48 -5.763 -2.284 -9.796 1.00 0.00 O ATOM 0 H ASP A 48 -3.227 -1.488 -7.771 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.619 -2.034 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.919 -3.312 -8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.977 -4.398 -7.601 1.00 0.00 H new ATOM 773 N CYS A 49 -2.935 -3.443 -5.224 1.00 0.00 N ATOM 774 CA CYS A 49 -2.390 -4.234 -4.130 1.00 0.00 C ATOM 775 C CYS A 49 -2.487 -3.463 -2.819 1.00 0.00 C ATOM 776 O CYS A 49 -2.801 -4.033 -1.774 1.00 0.00 O ATOM 777 CB CYS A 49 -0.934 -4.609 -4.413 1.00 0.00 C ATOM 778 SG CYS A 49 -0.733 -6.172 -5.298 1.00 0.00 S ATOM 0 H CYS A 49 -2.233 -2.956 -5.781 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.975 -5.150 -4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.471 -3.812 -4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.395 -4.667 -3.468 1.00 0.00 H new ATOM 0 HG CYS A 49 0.532 -6.401 -5.492 1.00 0.00 H new ATOM 784 N ILE A 50 -2.210 -2.161 -2.880 1.00 0.00 N ATOM 785 CA ILE A 50 -2.278 -1.311 -1.698 1.00 0.00 C ATOM 786 C ILE A 50 -3.725 -1.121 -1.251 1.00 0.00 C ATOM 787 O ILE A 50 -3.995 -0.895 -0.072 1.00 0.00 O ATOM 788 CB ILE A 50 -1.629 0.071 -1.963 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.805 0.518 -0.753 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.682 1.118 -2.308 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.272 1.523 -1.099 1.00 0.00 C ATOM 0 H ILE A 50 -1.937 -1.675 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.722 -1.810 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.963 -0.030 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.472 0.953 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.343 -0.356 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.196 2.077 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.221 0.810 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.382 1.217 -1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.818 1.797 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.961 1.084 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.186 2.413 -1.530 1.00 0.00 H new ATOM 803 N ARG A 51 -4.648 -1.219 -2.204 1.00 0.00 N ATOM 804 CA ARG A 51 -6.070 -1.058 -1.915 1.00 0.00 C ATOM 805 C ARG A 51 -6.635 -2.314 -1.262 1.00 0.00 C ATOM 806 O ARG A 51 -7.554 -2.243 -0.445 1.00 0.00 O ATOM 807 CB ARG A 51 -6.841 -0.745 -3.199 1.00 0.00 C ATOM 808 CG ARG A 51 -6.636 0.677 -3.698 1.00 0.00 C ATOM 809 CD ARG A 51 -7.941 1.291 -4.178 1.00 0.00 C ATOM 810 NE ARG A 51 -8.266 0.887 -5.544 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.453 1.744 -6.543 1.00 0.00 C ATOM 812 NH1 ARG A 51 -8.350 3.049 -6.331 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.744 1.296 -7.757 1.00 0.00 N ATOM 0 H ARG A 51 -4.436 -1.409 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.183 -0.226 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.533 -1.443 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.904 -0.911 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.217 1.288 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.911 0.677 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.749 0.993 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.870 2.378 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.354 -0.110 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.127 3.398 -5.399 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.494 3.704 -7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.825 0.293 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.887 1.954 -8.523 1.00 0.00 H new ATOM 827 N ALA A 52 -6.072 -3.463 -1.622 1.00 0.00 N ATOM 828 CA ALA A 52 -6.517 -4.735 -1.070 1.00 0.00 C ATOM 829 C ALA A 52 -5.886 -4.969 0.295 1.00 0.00 C ATOM 830 O ALA A 52 -6.521 -5.508 1.204 1.00 0.00 O ATOM 831 CB ALA A 52 -6.172 -5.874 -2.017 1.00 0.00 C ATOM 0 H ALA A 52 -5.307 -3.538 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.600 -4.702 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.511 -6.818 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.664 -5.712 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.093 -5.910 -2.165 1.00 0.00 H new ATOM 837 N PHE A 53 -4.631 -4.556 0.430 1.00 0.00 N ATOM 838 CA PHE A 53 -3.905 -4.708 1.684 1.00 0.00 C ATOM 839 C PHE A 53 -4.426 -3.724 2.725 1.00 0.00 C ATOM 840 O PHE A 53 -4.693 -4.099 3.867 1.00 0.00 O ATOM 841 CB PHE A 53 -2.407 -4.489 1.460 1.00 0.00 C ATOM 842 CG PHE A 53 -1.535 -5.268 2.405 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.542 -4.991 3.763 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.708 -6.274 1.934 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.741 -5.704 4.633 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.095 -6.991 2.800 1.00 0.00 C ATOM 847 CZ PHE A 53 0.079 -6.705 4.151 1.00 0.00 C ATOM 0 H PHE A 53 -4.095 -4.112 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.062 -5.722 2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.157 -4.767 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.184 -3.427 1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.181 -4.209 4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.691 -6.501 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.756 -5.479 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.735 -7.774 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.707 -7.263 4.829 1.00 0.00 H new ATOM 857 N ARG A 54 -4.553 -2.459 2.328 1.00 0.00 N ATOM 858 CA ARG A 54 -5.049 -1.421 3.225 1.00 0.00 C ATOM 859 C ARG A 54 -6.363 -1.835 3.877 1.00 0.00 C ATOM 860 O ARG A 54 -6.528 -1.711 5.084 1.00 0.00 O ATOM 861 CB ARG A 54 -5.245 -0.105 2.470 1.00 0.00 C ATOM 862 CG ARG A 54 -4.024 0.798 2.489 1.00 0.00 C ATOM 863 CD ARG A 54 -4.352 2.187 1.965 1.00 0.00 C ATOM 864 NE ARG A 54 -4.584 3.140 3.047 1.00 0.00 N ATOM 865 CZ ARG A 54 -5.691 3.867 3.167 1.00 0.00 C ATOM 866 NH1 ARG A 54 -6.667 3.748 2.276 1.00 0.00 N ATOM 867 NH2 ARG A 54 -5.824 4.713 4.180 1.00 0.00 N ATOM 0 H ARG A 54 -4.319 -2.130 1.391 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.302 -1.280 4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.507 -0.326 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.089 0.431 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.641 0.873 3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.233 0.356 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.533 2.541 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.237 2.136 1.331 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.855 3.255 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.569 3.098 1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.515 4.307 2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.077 4.806 4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.674 5.270 4.271 1.00 0.00 H new ATOM 881 N GLU A 55 -7.291 -2.329 3.071 1.00 0.00 N ATOM 882 CA GLU A 55 -8.592 -2.749 3.579 1.00 0.00 C ATOM 883 C GLU A 55 -8.458 -3.902 4.571 1.00 0.00 C ATOM 884 O GLU A 55 -9.065 -3.885 5.642 1.00 0.00 O ATOM 885 CB GLU A 55 -9.503 -3.163 2.422 1.00 0.00 C ATOM 886 CG GLU A 55 -10.936 -2.677 2.571 1.00 0.00 C ATOM 887 CD GLU A 55 -11.773 -2.944 1.336 1.00 0.00 C ATOM 888 OE1 GLU A 55 -12.320 -4.061 1.219 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.885 -2.035 0.487 1.00 0.00 O ATOM 0 H GLU A 55 -7.170 -2.449 2.065 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.034 -1.901 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.092 -2.775 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.503 -4.250 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.395 -3.168 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.933 -1.607 2.779 1.00 0.00 H new ATOM 896 N GLU A 56 -7.648 -4.893 4.216 1.00 0.00 N ATOM 897 CA GLU A 56 -7.451 -6.067 5.062 1.00 0.00 C ATOM 898 C GLU A 56 -6.764 -5.722 6.383 1.00 0.00 C ATOM 899 O GLU A 56 -7.083 -6.301 7.423 1.00 0.00 O ATOM 900 CB GLU A 56 -6.630 -7.120 4.316 1.00 0.00 C ATOM 901 CG GLU A 56 -7.441 -7.923 3.312 1.00 0.00 C ATOM 902 CD GLU A 56 -7.824 -9.293 3.835 1.00 0.00 C ATOM 903 OE1 GLU A 56 -6.973 -10.206 3.791 1.00 0.00 O ATOM 904 OE2 GLU A 56 -8.976 -9.454 4.291 1.00 0.00 O ATOM 0 H GLU A 56 -7.115 -4.908 3.346 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.439 -6.463 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.808 -6.627 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.185 -7.802 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.345 -7.370 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.865 -8.037 2.393 1.00 0.00 H new ATOM 911 N ALA A 57 -5.829 -4.778 6.346 1.00 0.00 N ATOM 912 CA ALA A 57 -5.093 -4.389 7.545 1.00 0.00 C ATOM 913 C ALA A 57 -5.828 -3.313 8.338 1.00 0.00 C ATOM 914 O ALA A 57 -6.080 -3.472 9.534 1.00 0.00 O ATOM 915 CB ALA A 57 -3.700 -3.906 7.171 1.00 0.00 C ATOM 0 H ALA A 57 -5.563 -4.270 5.503 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.011 -5.270 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.160 -3.618 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.161 -4.707 6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.779 -3.046 6.506 1.00 0.00 H new ATOM 921 N ILE A 58 -6.167 -2.218 7.664 1.00 0.00 N ATOM 922 CA ILE A 58 -6.863 -1.107 8.305 1.00 0.00 C ATOM 923 C ILE A 58 -8.108 -1.586 9.040 1.00 0.00 C ATOM 924 O ILE A 58 -8.353 -1.196 10.181 1.00 0.00 O ATOM 925 CB ILE A 58 -7.262 -0.021 7.284 1.00 0.00 C ATOM 926 CG1 ILE A 58 -6.016 0.686 6.748 1.00 0.00 C ATOM 927 CG2 ILE A 58 -8.212 0.985 7.916 1.00 0.00 C ATOM 928 CD1 ILE A 58 -6.255 1.421 5.445 1.00 0.00 C ATOM 0 H ILE A 58 -5.971 -2.076 6.673 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.167 -0.675 9.024 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.776 -0.502 6.452 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.659 1.394 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.225 -0.049 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.482 1.743 7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.112 0.472 8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.724 1.462 8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.330 1.899 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.583 0.714 4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.024 2.180 5.591 1.00 0.00 H new ATOM 940 N LYS A 59 -8.896 -2.430 8.378 1.00 0.00 N ATOM 941 CA LYS A 59 -10.112 -2.961 8.977 1.00 0.00 C ATOM 942 C LYS A 59 -9.824 -3.540 10.358 1.00 0.00 C ATOM 943 O LYS A 59 -10.539 -3.252 11.318 1.00 0.00 O ATOM 944 CB LYS A 59 -10.736 -4.028 8.076 1.00 0.00 C ATOM 945 CG LYS A 59 -11.725 -3.468 7.065 1.00 0.00 C ATOM 946 CD LYS A 59 -12.945 -4.364 6.927 1.00 0.00 C ATOM 947 CE LYS A 59 -14.028 -3.705 6.088 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.238 -4.412 4.795 1.00 0.00 N ATOM 0 H LYS A 59 -8.713 -2.758 7.430 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.821 -2.141 9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.942 -4.552 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.243 -4.766 8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.038 -2.470 7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.237 -3.364 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.654 -5.309 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.340 -4.597 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.962 -3.690 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.756 -2.668 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.984 -3.931 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.354 -4.405 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.523 -5.395 4.979 1.00 0.00 H new ATOM 962 N PHE A 60 -8.766 -4.350 10.456 1.00 0.00 N ATOM 963 CA PHE A 60 -8.386 -4.957 11.731 1.00 0.00 C ATOM 964 C PHE A 60 -7.151 -5.840 11.572 1.00 0.00 C ATOM 965 O PHE A 60 -7.247 -7.005 11.186 1.00 0.00 O ATOM 966 CB PHE A 60 -9.549 -5.763 12.340 1.00 0.00 C ATOM 967 CG PHE A 60 -10.066 -6.883 11.475 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.866 -6.618 10.378 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.756 -8.202 11.770 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.346 -7.645 9.586 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.233 -9.233 10.983 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.029 -8.954 9.890 1.00 0.00 C ATOM 0 H PHE A 60 -8.162 -4.598 9.672 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.143 -4.146 12.417 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.223 -6.180 13.293 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.371 -5.081 12.555 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.119 -5.596 10.137 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.135 -8.426 12.625 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.968 -7.424 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.983 -10.256 11.223 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.403 -9.758 9.274 1.00 0.00 H new ATOM 982 N SER A 61 -5.987 -5.272 11.866 1.00 0.00 N ATOM 983 CA SER A 61 -4.733 -6.007 11.765 1.00 0.00 C ATOM 984 C SER A 61 -3.549 -5.140 12.177 1.00 0.00 C ATOM 985 O SER A 61 -3.288 -4.961 13.367 1.00 0.00 O ATOM 986 CB SER A 61 -4.533 -6.541 10.344 1.00 0.00 C ATOM 987 OG SER A 61 -4.702 -7.947 10.300 1.00 0.00 O ATOM 0 H SER A 61 -5.886 -4.305 12.176 1.00 0.00 H new ATOM 0 HA SER A 61 -4.788 -6.852 12.451 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.244 -6.065 9.669 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.535 -6.280 9.991 1.00 0.00 H new ATOM 0 HG SER A 61 -5.613 -8.176 10.579 1.00 0.00 H new ATOM 993 N GLU A 62 -2.835 -4.605 11.195 1.00 0.00 N ATOM 994 CA GLU A 62 -1.673 -3.771 11.473 1.00 0.00 C ATOM 995 C GLU A 62 -1.715 -2.478 10.669 1.00 0.00 C ATOM 996 O GLU A 62 -0.857 -2.233 9.821 1.00 0.00 O ATOM 997 CB GLU A 62 -0.387 -4.539 11.162 1.00 0.00 C ATOM 998 CG GLU A 62 -0.213 -5.797 11.998 1.00 0.00 C ATOM 999 CD GLU A 62 0.196 -5.496 13.426 1.00 0.00 C ATOM 1000 OE1 GLU A 62 1.374 -5.142 13.645 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -0.661 -5.614 14.327 1.00 0.00 O ATOM 0 H GLU A 62 -3.039 -4.733 10.204 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.691 -3.512 12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.382 -4.811 10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.467 -3.882 11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.147 -6.358 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.540 -6.435 11.535 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.725 -1.658 10.933 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.867 -0.380 10.241 1.00 0.00 C ATOM 1010 C GLU A 63 -1.610 0.476 10.405 1.00 0.00 C ATOM 1011 O GLU A 63 -1.256 1.254 9.517 1.00 0.00 O ATOM 1012 CB GLU A 63 -4.088 0.377 10.769 1.00 0.00 C ATOM 1013 CG GLU A 63 -4.055 0.613 12.270 1.00 0.00 C ATOM 1014 CD GLU A 63 -5.273 1.366 12.769 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -6.362 0.757 12.834 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -5.139 2.564 13.093 1.00 0.00 O ATOM 0 H GLU A 63 -3.455 -1.853 11.618 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.006 -0.585 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.157 1.338 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.989 -0.183 10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.990 -0.346 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.156 1.173 12.526 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.937 0.321 11.544 1.00 0.00 N ATOM 1024 CA GLN A 64 0.281 1.079 11.825 1.00 0.00 C ATOM 1025 C GLN A 64 1.440 0.579 10.970 1.00 0.00 C ATOM 1026 O GLN A 64 2.418 1.296 10.746 1.00 0.00 O ATOM 1027 CB GLN A 64 0.640 0.977 13.308 1.00 0.00 C ATOM 1028 CG GLN A 64 -0.323 1.720 14.219 1.00 0.00 C ATOM 1029 CD GLN A 64 0.168 1.794 15.652 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.264 2.287 15.921 1.00 0.00 O ATOM 1031 NE2 GLN A 64 -0.644 1.304 16.582 1.00 0.00 N ATOM 0 H GLN A 64 -1.214 -0.322 12.286 1.00 0.00 H new ATOM 0 HA GLN A 64 0.096 2.124 11.577 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.662 -0.074 13.596 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.646 1.370 13.458 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.472 2.730 13.837 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.294 1.225 14.197 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.544 0.905 16.314 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.368 1.327 17.564 1.00 0.00 H new ATOM 1040 N ARG A 65 1.327 -0.657 10.497 1.00 0.00 N ATOM 1041 CA ARG A 65 2.358 -1.244 9.655 1.00 0.00 C ATOM 1042 C ARG A 65 2.309 -0.608 8.271 1.00 0.00 C ATOM 1043 O ARG A 65 3.279 -0.656 7.511 1.00 0.00 O ATOM 1044 CB ARG A 65 2.168 -2.761 9.550 1.00 0.00 C ATOM 1045 CG ARG A 65 3.083 -3.421 8.531 1.00 0.00 C ATOM 1046 CD ARG A 65 2.812 -4.913 8.421 1.00 0.00 C ATOM 1047 NE ARG A 65 4.027 -5.704 8.599 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.113 -7.000 8.317 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.059 -7.651 7.844 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.254 -7.647 8.505 1.00 0.00 N ATOM 0 H ARG A 65 0.533 -1.269 10.683 1.00 0.00 H new ATOM 0 HA ARG A 65 3.333 -1.053 10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.344 -3.209 10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.132 -2.971 9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.943 -2.952 7.557 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.123 -3.259 8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.077 -5.204 9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.377 -5.132 7.446 1.00 0.00 H new ATOM 0 HE ARG A 65 4.857 -5.235 8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.179 -7.157 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.128 -8.646 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.068 -7.150 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.318 -8.642 8.288 1.00 0.00 H new ATOM 1064 N PHE A 66 1.172 0.011 7.965 1.00 0.00 N ATOM 1065 CA PHE A 66 0.981 0.665 6.680 1.00 0.00 C ATOM 1066 C PHE A 66 1.494 2.095 6.734 1.00 0.00 C ATOM 1067 O PHE A 66 2.164 2.553 5.810 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.490 0.640 6.266 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.701 0.052 4.900 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.058 0.590 3.796 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -1.529 -1.044 4.722 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.240 0.047 2.540 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.712 -1.591 3.467 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.068 -1.045 2.375 1.00 0.00 C ATOM 0 H PHE A 66 0.370 0.072 8.592 1.00 0.00 H new ATOM 0 HA PHE A 66 1.552 0.116 5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.058 0.064 6.996 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.885 1.656 6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.592 1.443 3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.036 -1.475 5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.265 0.476 1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.359 -2.446 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.212 -1.471 1.393 1.00 0.00 H new ATOM 1084 N ASN A 67 1.183 2.802 7.820 1.00 0.00 N ATOM 1085 CA ASN A 67 1.654 4.169 7.974 1.00 0.00 C ATOM 1086 C ASN A 67 3.157 4.141 8.196 1.00 0.00 C ATOM 1087 O ASN A 67 3.851 5.146 8.020 1.00 0.00 O ATOM 1088 CB ASN A 67 0.951 4.903 9.123 1.00 0.00 C ATOM 1089 CG ASN A 67 0.517 4.001 10.248 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.336 3.582 11.065 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.780 3.720 10.314 1.00 0.00 N ATOM 0 H ASN A 67 0.616 2.454 8.593 1.00 0.00 H new ATOM 0 HA ASN A 67 1.416 4.722 7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.623 5.665 9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.077 5.422 8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.137 3.132 11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.419 4.092 9.611 1.00 0.00 H new ATOM 1098 N ASN A 68 3.650 2.967 8.584 1.00 0.00 N ATOM 1099 CA ASN A 68 5.076 2.778 8.808 1.00 0.00 C ATOM 1100 C ASN A 68 5.779 2.581 7.469 1.00 0.00 C ATOM 1101 O ASN A 68 6.687 3.335 7.112 1.00 0.00 O ATOM 1102 CB ASN A 68 5.323 1.572 9.717 1.00 0.00 C ATOM 1103 CG ASN A 68 6.765 1.475 10.171 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.658 1.171 9.381 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.001 1.733 11.453 1.00 0.00 N ATOM 0 H ASN A 68 3.082 2.136 8.749 1.00 0.00 H new ATOM 0 HA ASN A 68 5.478 3.664 9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.674 1.640 10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.050 0.659 9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.953 1.683 11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.230 1.981 12.073 1.00 0.00 H new ATOM 1112 N PHE A 69 5.350 1.555 6.736 1.00 0.00 N ATOM 1113 CA PHE A 69 5.909 1.267 5.417 1.00 0.00 C ATOM 1114 C PHE A 69 5.724 2.459 4.482 1.00 0.00 C ATOM 1115 O PHE A 69 6.528 2.684 3.576 1.00 0.00 O ATOM 1116 CB PHE A 69 5.243 0.026 4.820 1.00 0.00 C ATOM 1117 CG PHE A 69 6.131 -0.737 3.878 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.065 -1.638 4.362 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.030 -0.552 2.508 1.00 0.00 C ATOM 1120 CE1 PHE A 69 7.882 -2.342 3.498 1.00 0.00 C ATOM 1121 CE2 PHE A 69 6.844 -1.253 1.640 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.772 -2.150 2.135 1.00 0.00 C ATOM 0 H PHE A 69 4.618 0.910 7.033 1.00 0.00 H new ATOM 0 HA PHE A 69 6.976 1.077 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.933 -0.635 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.339 0.328 4.291 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.156 -1.792 5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.307 0.148 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.606 -3.042 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.756 -1.100 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.409 -2.699 1.458 1.00 0.00 H new ATOM 1132 N LEU A 70 4.659 3.219 4.718 1.00 0.00 N ATOM 1133 CA LEU A 70 4.370 4.395 3.904 1.00 0.00 C ATOM 1134 C LEU A 70 5.296 5.534 4.300 1.00 0.00 C ATOM 1135 O LEU A 70 5.809 6.259 3.446 1.00 0.00 O ATOM 1136 CB LEU A 70 2.906 4.823 4.054 1.00 0.00 C ATOM 1137 CG LEU A 70 1.912 4.115 3.124 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.543 4.771 3.211 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.409 4.126 1.685 1.00 0.00 C ATOM 0 H LEU A 70 3.985 3.043 5.463 1.00 0.00 H new ATOM 0 HA LEU A 70 4.539 4.141 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.599 4.649 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.840 5.897 3.878 1.00 0.00 H new ATOM 0 HG LEU A 70 1.827 3.078 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.150 4.257 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.175 4.710 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.621 5.817 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.686 3.618 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.529 5.156 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.368 3.612 1.627 1.00 0.00 H new ATOM 1151 N LYS A 71 5.501 5.691 5.607 1.00 0.00 N ATOM 1152 CA LYS A 71 6.388 6.725 6.120 1.00 0.00 C ATOM 1153 C LYS A 71 7.747 6.615 5.448 1.00 0.00 C ATOM 1154 O LYS A 71 8.333 7.617 5.030 1.00 0.00 O ATOM 1155 CB LYS A 71 6.539 6.597 7.636 1.00 0.00 C ATOM 1156 CG LYS A 71 5.731 7.622 8.416 1.00 0.00 C ATOM 1157 CD LYS A 71 6.084 7.600 9.894 1.00 0.00 C ATOM 1158 CE LYS A 71 5.068 8.375 10.721 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.435 8.408 12.163 1.00 0.00 N ATOM 0 H LYS A 71 5.064 5.115 6.326 1.00 0.00 H new ATOM 0 HA LYS A 71 5.956 7.701 5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.232 5.596 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.592 6.701 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.916 8.617 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.667 7.420 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.128 6.568 10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.076 8.029 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.993 9.394 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.084 7.920 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.718 8.945 12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.482 7.437 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.362 8.865 12.275 1.00 0.00 H new ATOM 1173 N ALA A 72 8.246 5.386 5.346 1.00 0.00 N ATOM 1174 CA ALA A 72 9.531 5.137 4.706 1.00 0.00 C ATOM 1175 C ALA A 72 9.410 5.291 3.196 1.00 0.00 C ATOM 1176 O ALA A 72 10.284 5.868 2.548 1.00 0.00 O ATOM 1177 CB ALA A 72 10.039 3.748 5.061 1.00 0.00 C ATOM 0 H ALA A 72 7.780 4.550 5.698 1.00 0.00 H new ATOM 0 HA ALA A 72 10.249 5.871 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.000 3.577 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.159 3.670 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.322 3.001 4.721 1.00 0.00 H new ATOM 1183 N LEU A 73 8.318 4.763 2.644 1.00 0.00 N ATOM 1184 CA LEU A 73 8.062 4.850 1.210 1.00 0.00 C ATOM 1185 C LEU A 73 8.223 6.287 0.734 1.00 0.00 C ATOM 1186 O LEU A 73 8.783 6.539 -0.330 1.00 0.00 O ATOM 1187 CB LEU A 73 6.651 4.343 0.892 1.00 0.00 C ATOM 1188 CG LEU A 73 6.122 4.710 -0.497 1.00 0.00 C ATOM 1189 CD1 LEU A 73 5.893 3.459 -1.330 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.838 5.517 -0.379 1.00 0.00 C ATOM 0 H LEU A 73 7.597 4.270 3.170 1.00 0.00 H new ATOM 0 HA LEU A 73 8.785 4.224 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.642 3.258 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.964 4.737 1.640 1.00 0.00 H new ATOM 0 HG LEU A 73 6.870 5.323 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.517 3.741 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.833 2.919 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.164 2.819 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.475 5.770 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.084 4.928 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.034 6.432 0.179 1.00 0.00 H new ATOM 1202 N GLN A 74 7.713 7.223 1.527 1.00 0.00 N ATOM 1203 CA GLN A 74 7.813 8.641 1.203 1.00 0.00 C ATOM 1204 C GLN A 74 9.275 9.073 1.161 1.00 0.00 C ATOM 1205 O GLN A 74 9.720 9.733 0.219 1.00 0.00 O ATOM 1206 CB GLN A 74 7.050 9.478 2.231 1.00 0.00 C ATOM 1207 CG GLN A 74 6.560 10.810 1.687 1.00 0.00 C ATOM 1208 CD GLN A 74 7.492 11.956 2.028 1.00 0.00 C ATOM 1209 OE1 GLN A 74 7.637 12.328 3.192 1.00 0.00 O ATOM 1210 NE2 GLN A 74 8.129 12.524 1.010 1.00 0.00 N ATOM 0 H GLN A 74 7.225 7.024 2.401 1.00 0.00 H new ATOM 0 HA GLN A 74 7.370 8.802 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.195 8.905 2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.696 9.661 3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.457 10.740 0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.569 11.020 2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.979 12.183 0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.768 13.301 1.178 1.00 0.00 H new ATOM 1219 N GLU A 75 10.019 8.697 2.195 1.00 0.00 N ATOM 1220 CA GLU A 75 11.434 9.037 2.277 1.00 0.00 C ATOM 1221 C GLU A 75 12.227 8.334 1.179 1.00 0.00 C ATOM 1222 O GLU A 75 13.298 8.794 0.781 1.00 0.00 O ATOM 1223 CB GLU A 75 11.993 8.657 3.649 1.00 0.00 C ATOM 1224 CG GLU A 75 11.752 9.712 4.717 1.00 0.00 C ATOM 1225 CD GLU A 75 12.238 9.277 6.086 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.444 8.668 6.833 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.414 9.547 6.412 1.00 0.00 O ATOM 0 H GLU A 75 9.667 8.158 2.986 1.00 0.00 H new ATOM 0 HA GLU A 75 11.532 10.114 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.541 7.718 3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.065 8.481 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.258 10.634 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.686 9.936 4.768 1.00 0.00 H new ATOM 1234 N LYS A 76 11.680 7.225 0.683 1.00 0.00 N ATOM 1235 CA LYS A 76 12.331 6.444 -0.361 1.00 0.00 C ATOM 1236 C LYS A 76 12.070 7.061 -1.727 1.00 0.00 C ATOM 1237 O LYS A 76 12.997 7.314 -2.500 1.00 0.00 O ATOM 1238 CB LYS A 76 11.826 5.000 -0.334 1.00 0.00 C ATOM 1239 CG LYS A 76 12.619 4.058 -1.225 1.00 0.00 C ATOM 1240 CD LYS A 76 11.896 2.734 -1.414 1.00 0.00 C ATOM 1241 CE LYS A 76 12.842 1.644 -1.890 1.00 0.00 C ATOM 1242 NZ LYS A 76 12.500 1.171 -3.260 1.00 0.00 N ATOM 0 H LYS A 76 10.784 6.848 0.991 1.00 0.00 H new ATOM 0 HA LYS A 76 13.405 6.447 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.861 4.631 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.781 4.984 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.785 4.526 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.600 3.879 -0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.436 2.432 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.090 2.859 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.865 2.021 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.806 0.804 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.168 0.428 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.533 0.787 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.559 1.967 -3.927 1.00 0.00 H new ATOM 1256 N VAL A 77 10.795 7.303 -2.011 1.00 0.00 N ATOM 1257 CA VAL A 77 10.397 7.897 -3.273 1.00 0.00 C ATOM 1258 C VAL A 77 11.064 9.253 -3.444 1.00 0.00 C ATOM 1259 O VAL A 77 11.311 9.700 -4.564 1.00 0.00 O ATOM 1260 CB VAL A 77 8.867 8.054 -3.371 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.335 8.903 -2.229 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.478 8.652 -4.709 1.00 0.00 C ATOM 0 H VAL A 77 10.021 7.095 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 77 10.718 7.226 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 77 8.418 7.064 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.253 8.999 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.578 8.428 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.792 9.892 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.394 8.755 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.942 9.632 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.818 7.999 -5.512 1.00 0.00 H new ATOM 1272 N GLU A 78 11.355 9.906 -2.320 1.00 0.00 N ATOM 1273 CA GLU A 78 12.020 11.199 -2.346 1.00 0.00 C ATOM 1274 C GLU A 78 13.387 11.043 -2.989 1.00 0.00 C ATOM 1275 O GLU A 78 13.781 11.834 -3.847 1.00 0.00 O ATOM 1276 CB GLU A 78 12.160 11.761 -0.930 1.00 0.00 C ATOM 1277 CG GLU A 78 11.036 12.706 -0.537 1.00 0.00 C ATOM 1278 CD GLU A 78 11.241 13.317 0.835 1.00 0.00 C ATOM 1279 OE1 GLU A 78 11.064 12.596 1.839 1.00 0.00 O ATOM 1280 OE2 GLU A 78 11.580 14.518 0.905 1.00 0.00 O ATOM 0 H GLU A 78 11.140 9.559 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 78 11.421 11.899 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.192 10.934 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.111 12.287 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.960 13.502 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.090 12.165 -0.552 1.00 0.00 H new ATOM 1287 N ILE A 79 14.110 10.012 -2.557 1.00 0.00 N ATOM 1288 CA ILE A 79 15.432 9.722 -3.112 1.00 0.00 C ATOM 1289 C ILE A 79 15.345 9.524 -4.629 1.00 0.00 C ATOM 1290 O ILE A 79 16.363 9.448 -5.318 1.00 0.00 O ATOM 1291 CB ILE A 79 16.057 8.471 -2.456 1.00 0.00 C ATOM 1292 CG1 ILE A 79 16.297 8.722 -0.967 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.362 8.086 -3.140 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.775 7.616 -0.081 1.00 0.00 C ATOM 0 H ILE A 79 13.806 9.366 -1.828 1.00 0.00 H new ATOM 0 HA ILE A 79 16.073 10.577 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 79 15.358 7.643 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.366 8.842 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.821 9.660 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.779 7.202 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.172 7.869 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.071 8.910 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.979 7.859 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.700 7.511 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.269 6.679 -0.339 1.00 0.00 H new ATOM 1306 N LYS A 80 14.111 9.449 -5.131 1.00 0.00 N ATOM 1307 CA LYS A 80 13.840 9.272 -6.555 1.00 0.00 C ATOM 1308 C LYS A 80 14.018 7.812 -6.971 1.00 0.00 C ATOM 1309 O LYS A 80 15.108 7.248 -6.878 1.00 0.00 O ATOM 1310 CB LYS A 80 14.716 10.218 -7.390 1.00 0.00 C ATOM 1311 CG LYS A 80 15.669 9.525 -8.356 1.00 0.00 C ATOM 1312 CD LYS A 80 16.354 10.524 -9.274 1.00 0.00 C ATOM 1313 CE LYS A 80 15.540 10.772 -10.534 1.00 0.00 C ATOM 1314 NZ LYS A 80 15.784 12.129 -11.095 1.00 0.00 N ATOM 0 H LYS A 80 13.270 9.510 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 80 12.799 9.532 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.067 10.884 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.299 10.842 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.421 8.971 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.119 8.798 -8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.502 11.465 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.342 10.152 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.791 10.020 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.480 10.657 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.211 12.258 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.521 12.848 -10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.791 12.230 -11.333 1.00 0.00 H new ATOM 1328 N GLN A 81 12.913 7.212 -7.410 1.00 0.00 N ATOM 1329 CA GLN A 81 12.892 5.819 -7.847 1.00 0.00 C ATOM 1330 C GLN A 81 11.466 5.394 -8.183 1.00 0.00 C ATOM 1331 O GLN A 81 11.240 4.600 -9.096 1.00 0.00 O ATOM 1332 CB GLN A 81 13.462 4.901 -6.763 1.00 0.00 C ATOM 1333 CG GLN A 81 14.777 4.248 -7.156 1.00 0.00 C ATOM 1334 CD GLN A 81 15.350 3.378 -6.055 1.00 0.00 C ATOM 1335 OE1 GLN A 81 15.024 2.195 -5.949 1.00 0.00 O ATOM 1336 NE2 GLN A 81 16.209 3.961 -5.227 1.00 0.00 N ATOM 0 H GLN A 81 12.008 7.678 -7.472 1.00 0.00 H new ATOM 0 HA GLN A 81 13.513 5.733 -8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.610 5.477 -5.850 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.733 4.124 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.625 3.643 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.499 5.022 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.451 4.944 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.627 3.426 -4.466 1.00 0.00 H new ATOM 1345 N LEU A 82 10.509 5.934 -7.432 1.00 0.00 N ATOM 1346 CA LEU A 82 9.099 5.622 -7.640 1.00 0.00 C ATOM 1347 C LEU A 82 8.249 6.888 -7.566 1.00 0.00 C ATOM 1348 O LEU A 82 7.154 6.881 -7.001 1.00 0.00 O ATOM 1349 CB LEU A 82 8.619 4.609 -6.599 1.00 0.00 C ATOM 1350 CG LEU A 82 9.212 4.788 -5.200 1.00 0.00 C ATOM 1351 CD1 LEU A 82 8.175 4.467 -4.135 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.443 3.910 -5.030 1.00 0.00 C ATOM 0 H LEU A 82 10.686 6.591 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 82 8.990 5.188 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.533 4.671 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.858 3.606 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 82 9.512 5.829 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.615 4.600 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.321 5.136 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.844 3.435 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.853 4.049 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.166 2.865 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.193 4.187 -5.771 1.00 0.00 H new ATOM 1364 N ASN A 83 8.759 7.972 -8.142 1.00 0.00 N ATOM 1365 CA ASN A 83 8.050 9.247 -8.142 1.00 0.00 C ATOM 1366 C ASN A 83 6.745 9.145 -8.923 1.00 0.00 C ATOM 1367 O ASN A 83 5.877 10.013 -8.819 1.00 0.00 O ATOM 1368 CB ASN A 83 8.931 10.345 -8.740 1.00 0.00 C ATOM 1369 CG ASN A 83 8.543 11.727 -8.254 1.00 0.00 C ATOM 1370 OD1 ASN A 83 8.712 12.055 -7.079 1.00 0.00 O ATOM 1371 ND2 ASN A 83 8.018 12.547 -9.157 1.00 0.00 N ATOM 0 H ASN A 83 9.662 7.993 -8.616 1.00 0.00 H new ATOM 0 HA ASN A 83 7.815 9.502 -7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.972 10.152 -8.483 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.860 10.312 -9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.737 13.490 -8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.896 12.234 -10.120 1.00 0.00 H new ATOM 1378 N HIS A 84 6.613 8.079 -9.704 1.00 0.00 N ATOM 1379 CA HIS A 84 5.415 7.863 -10.506 1.00 0.00 C ATOM 1380 C HIS A 84 4.262 7.360 -9.643 1.00 0.00 C ATOM 1381 O HIS A 84 3.110 7.742 -9.848 1.00 0.00 O ATOM 1382 CB HIS A 84 5.696 6.864 -11.633 1.00 0.00 C ATOM 1383 CG HIS A 84 7.141 6.774 -12.014 1.00 0.00 C ATOM 1384 ND1 HIS A 84 8.071 6.069 -11.278 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.817 7.304 -13.061 1.00 0.00 C ATOM 1386 CE1 HIS A 84 9.256 6.170 -11.854 1.00 0.00 C ATOM 1387 NE2 HIS A 84 9.128 6.913 -12.938 1.00 0.00 N ATOM 0 H HIS A 84 7.321 7.351 -9.799 1.00 0.00 H new ATOM 0 HA HIS A 84 5.129 8.820 -10.942 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.349 5.877 -11.326 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.115 7.148 -12.511 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.403 7.919 -13.846 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.172 5.722 -11.499 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.881 7.157 -13.581 1.00 0.00 H new ATOM 1396 N PHE A 85 4.578 6.511 -8.669 1.00 0.00 N ATOM 1397 CA PHE A 85 3.561 5.957 -7.781 1.00 0.00 C ATOM 1398 C PHE A 85 2.944 7.045 -6.912 1.00 0.00 C ATOM 1399 O PHE A 85 1.805 6.923 -6.463 1.00 0.00 O ATOM 1400 CB PHE A 85 4.160 4.862 -6.893 1.00 0.00 C ATOM 1401 CG PHE A 85 3.125 4.029 -6.187 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.245 3.237 -6.907 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.032 4.038 -4.803 1.00 0.00 C ATOM 1404 CE1 PHE A 85 1.293 2.470 -6.263 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.080 3.273 -4.154 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.210 2.488 -4.885 1.00 0.00 C ATOM 0 H PHE A 85 5.527 6.193 -8.475 1.00 0.00 H new ATOM 0 HA PHE A 85 2.778 5.522 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.784 4.210 -7.504 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.812 5.323 -6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.304 3.219 -7.985 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.710 4.649 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.614 1.857 -6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.017 3.289 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.466 1.890 -4.380 1.00 0.00 H new ATOM 1416 N TRP A 86 3.700 8.114 -6.680 1.00 0.00 N ATOM 1417 CA TRP A 86 3.228 9.216 -5.863 1.00 0.00 C ATOM 1418 C TRP A 86 2.241 10.087 -6.633 1.00 0.00 C ATOM 1419 O TRP A 86 1.108 10.291 -6.198 1.00 0.00 O ATOM 1420 CB TRP A 86 4.415 10.051 -5.391 1.00 0.00 C ATOM 1421 CG TRP A 86 4.130 10.833 -4.153 1.00 0.00 C ATOM 1422 CD1 TRP A 86 4.283 12.174 -3.992 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.644 10.328 -2.905 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.922 12.542 -2.718 1.00 0.00 N ATOM 1425 CE2 TRP A 86 3.525 11.423 -2.030 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.297 9.055 -2.443 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 3.073 11.283 -0.721 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.850 8.917 -1.145 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.741 10.026 -0.297 1.00 0.00 C ATOM 0 H TRP A 86 4.643 8.236 -7.049 1.00 0.00 H new ATOM 0 HA TRP A 86 2.708 8.807 -4.997 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.264 9.393 -5.209 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.708 10.736 -6.186 1.00 0.00 H new ATOM 0 HD1 TRP A 86 4.637 12.852 -4.755 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.945 13.491 -2.345 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.377 8.195 -3.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.988 12.136 -0.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.580 7.938 -0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 86 2.387 9.886 0.714 1.00 0.00 H new ATOM 1440 N GLU A 87 2.677 10.599 -7.781 1.00 0.00 N ATOM 1441 CA GLU A 87 1.827 11.444 -8.612 1.00 0.00 C ATOM 1442 C GLU A 87 0.603 10.671 -9.091 1.00 0.00 C ATOM 1443 O GLU A 87 -0.392 11.263 -9.507 1.00 0.00 O ATOM 1444 CB GLU A 87 2.613 11.975 -9.812 1.00 0.00 C ATOM 1445 CG GLU A 87 3.765 12.891 -9.427 1.00 0.00 C ATOM 1446 CD GLU A 87 4.666 13.218 -10.601 1.00 0.00 C ATOM 1447 OE1 GLU A 87 5.622 12.452 -10.847 1.00 0.00 O ATOM 1448 OE2 GLU A 87 4.416 14.239 -11.276 1.00 0.00 O ATOM 0 H GLU A 87 3.613 10.443 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 87 1.492 12.287 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.005 11.132 -10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.934 12.516 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.366 13.816 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.355 12.417 -8.642 1.00 0.00 H new ATOM 1455 N ILE A 88 0.686 9.345 -9.021 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.417 8.487 -9.442 1.00 0.00 C ATOM 1457 C ILE A 88 -1.414 8.308 -8.301 1.00 0.00 C ATOM 1458 O ILE A 88 -2.592 8.656 -8.430 1.00 0.00 O ATOM 1459 CB ILE A 88 0.082 7.106 -9.921 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.643 7.212 -11.342 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.041 6.081 -9.872 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.461 6.009 -11.761 1.00 0.00 C ATOM 0 H ILE A 88 1.504 8.842 -8.677 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.909 8.977 -10.282 1.00 0.00 H new ATOM 0 HB ILE A 88 0.876 6.775 -9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.183 7.341 -12.041 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.263 8.106 -11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.668 5.116 -10.214 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.404 5.988 -8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.857 6.404 -10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.826 6.154 -12.778 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.308 5.891 -11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.839 5.115 -11.723 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.936 7.748 -7.191 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.773 7.538 -6.014 1.00 0.00 C ATOM 1476 C VAL A 89 -2.560 8.805 -5.683 1.00 0.00 C ATOM 1477 O VAL A 89 -3.684 8.741 -5.181 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.924 7.120 -4.793 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.709 7.276 -3.499 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.436 5.687 -4.952 1.00 0.00 C ATOM 0 H VAL A 89 0.028 7.432 -7.083 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.470 6.732 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.058 7.780 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.086 6.974 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.005 8.318 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.599 6.648 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.161 5.407 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.293 5.018 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.174 5.608 -5.852 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.965 9.956 -5.988 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.611 11.234 -5.735 1.00 0.00 C ATOM 1492 C VAL A 90 -3.482 11.619 -6.929 1.00 0.00 C ATOM 1493 O VAL A 90 -4.587 12.136 -6.762 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.589 12.354 -5.437 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -0.845 12.777 -6.693 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.279 13.547 -4.792 1.00 0.00 C ATOM 0 H VAL A 90 -1.039 10.026 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.234 11.120 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.854 11.957 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.135 13.566 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.309 11.921 -7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.557 13.147 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.544 14.326 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.042 13.935 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.746 13.236 -3.857 1.00 0.00 H new ATOM 1506 N GLN A 91 -2.963 11.370 -8.134 1.00 0.00 N ATOM 1507 CA GLN A 91 -3.702 11.653 -9.362 1.00 0.00 C ATOM 1508 C GLN A 91 -5.129 11.139 -9.253 1.00 0.00 C ATOM 1509 O GLN A 91 -6.043 11.681 -9.875 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.018 11.011 -10.570 1.00 0.00 C ATOM 1511 CG GLN A 91 -2.477 12.020 -11.571 1.00 0.00 C ATOM 1512 CD GLN A 91 -1.986 11.368 -12.849 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -2.781 10.932 -13.681 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -0.670 11.299 -13.010 1.00 0.00 N ATOM 0 H GLN A 91 -2.035 10.974 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.719 12.734 -9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.199 10.382 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.729 10.357 -11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.258 12.741 -11.812 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.659 12.577 -11.114 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.048 11.674 -12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.281 10.871 -13.850 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.316 10.088 -8.458 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.650 9.529 -8.263 1.00 0.00 C ATOM 1525 C ASP A 92 -7.318 10.204 -7.069 1.00 0.00 C ATOM 1526 O ASP A 92 -8.489 10.582 -7.124 1.00 0.00 O ATOM 1527 CB ASP A 92 -6.567 8.017 -8.038 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.691 7.233 -9.330 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.652 6.999 -9.983 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -7.825 6.853 -9.689 1.00 0.00 O ATOM 0 H ASP A 92 -4.573 9.613 -7.946 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.246 9.711 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.618 7.775 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.357 7.710 -7.353 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.552 10.347 -5.994 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.053 11.014 -4.806 1.00 0.00 C ATOM 1537 C GLY A 93 -7.032 10.133 -3.574 1.00 0.00 C ATOM 1538 O GLY A 93 -7.920 10.223 -2.727 1.00 0.00 O ATOM 0 H GLY A 93 -5.591 10.012 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.454 11.905 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.074 11.349 -4.988 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.021 9.280 -3.471 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.891 8.394 -2.322 1.00 0.00 C ATOM 1544 C ILE A 94 -5.092 9.073 -1.217 1.00 0.00 C ATOM 1545 O ILE A 94 -4.265 9.944 -1.486 1.00 0.00 O ATOM 1546 CB ILE A 94 -5.209 7.063 -2.695 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.672 6.590 -4.075 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -5.501 6.006 -1.640 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.899 5.398 -4.599 1.00 0.00 C ATOM 0 H ILE A 94 -5.281 9.183 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.900 8.175 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.132 7.224 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.730 6.333 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.577 7.414 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.013 5.071 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.122 6.341 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.577 5.847 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.282 5.119 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.843 5.657 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.014 4.559 -3.913 1.00 0.00 H new ATOM 1561 N THR A 95 -5.337 8.671 0.025 1.00 0.00 N ATOM 1562 CA THR A 95 -4.640 9.254 1.164 1.00 0.00 C ATOM 1563 C THR A 95 -4.194 8.180 2.143 1.00 0.00 C ATOM 1564 O THR A 95 -4.517 7.003 1.980 1.00 0.00 O ATOM 1565 CB THR A 95 -5.524 10.273 1.908 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.517 9.588 2.681 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.203 11.223 0.931 1.00 0.00 C ATOM 0 H THR A 95 -6.011 7.945 0.268 1.00 0.00 H new ATOM 0 HA THR A 95 -3.765 9.767 0.766 1.00 0.00 H new ATOM 0 HB THR A 95 -4.884 10.856 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.074 10.243 3.152 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.821 11.932 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.446 11.765 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.829 10.653 0.245 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.450 8.593 3.163 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.959 7.664 4.169 1.00 0.00 C ATOM 1577 C LEU A 96 -4.062 7.267 5.133 1.00 0.00 C ATOM 1578 O LEU A 96 -5.237 7.564 4.917 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.802 8.281 4.956 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.461 7.573 4.782 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.666 8.581 4.668 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.207 6.619 5.937 1.00 0.00 C ATOM 0 H LEU A 96 -3.175 9.564 3.313 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.608 6.774 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.689 9.322 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.061 8.283 6.015 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.498 6.994 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.613 8.056 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.493 9.224 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.703 9.189 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.754 6.124 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.193 7.177 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.999 5.871 5.972 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.664 6.593 6.199 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.594 6.153 7.222 1.00 0.00 C ATOM 1596 C ILE A 97 -5.077 7.352 8.035 1.00 0.00 C ATOM 1597 O ILE A 97 -4.279 8.036 8.675 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.927 5.105 8.144 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -4.244 3.691 7.649 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -4.359 5.285 9.594 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -3.497 3.308 6.385 1.00 0.00 C ATOM 0 H ILE A 97 -2.693 6.337 6.378 1.00 0.00 H new ATOM 0 HA ILE A 97 -5.453 5.686 6.741 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.848 5.255 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.000 2.977 8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.316 3.611 7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.872 4.533 10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.074 6.279 9.938 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.441 5.172 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.771 2.294 6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.759 3.999 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.424 3.355 6.568 1.00 0.00 H new ATOM 1613 N THR A 98 -6.381 7.617 7.991 1.00 0.00 N ATOM 1614 CA THR A 98 -6.951 8.748 8.716 1.00 0.00 C ATOM 1615 C THR A 98 -7.683 8.308 9.980 1.00 0.00 C ATOM 1616 O THR A 98 -8.181 7.187 10.063 1.00 0.00 O ATOM 1617 CB THR A 98 -7.923 9.548 7.829 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.749 9.182 6.455 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.698 11.044 7.992 1.00 0.00 C ATOM 0 H THR A 98 -7.059 7.067 7.464 1.00 0.00 H new ATOM 0 HA THR A 98 -6.111 9.382 9.001 1.00 0.00 H new ATOM 0 HB THR A 98 -8.941 9.313 8.141 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.101 9.893 5.880 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.396 11.588 7.356 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.860 11.325 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.676 11.292 7.705 1.00 0.00 H new ATOM 1627 N LYS A 99 -7.716 9.215 10.960 1.00 0.00 N ATOM 1628 CA LYS A 99 -8.373 8.996 12.254 1.00 0.00 C ATOM 1629 C LYS A 99 -9.397 7.858 12.235 1.00 0.00 C ATOM 1630 O LYS A 99 -9.038 6.687 12.360 1.00 0.00 O ATOM 1631 CB LYS A 99 -9.048 10.290 12.716 1.00 0.00 C ATOM 1632 CG LYS A 99 -8.069 11.355 13.182 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.766 12.686 13.415 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.774 13.778 13.780 1.00 0.00 C ATOM 1635 NZ LYS A 99 -7.695 13.989 15.252 1.00 0.00 N ATOM 0 H LYS A 99 -7.282 10.134 10.877 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.591 8.699 12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.645 10.691 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.736 10.060 13.529 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.586 11.029 14.103 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.283 11.480 12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.312 12.974 12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.500 12.578 14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.788 13.515 13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.065 14.710 13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.008 14.742 15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.630 14.265 15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.392 13.108 15.713 1.00 0.00 H new ATOM 1649 N GLU A 100 -10.673 8.211 12.095 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.748 7.221 12.089 1.00 0.00 C ATOM 1651 C GLU A 100 -11.738 6.386 10.812 1.00 0.00 C ATOM 1652 O GLU A 100 -12.532 5.456 10.661 1.00 0.00 O ATOM 1653 CB GLU A 100 -13.099 7.915 12.268 1.00 0.00 C ATOM 1654 CG GLU A 100 -14.271 6.955 12.402 1.00 0.00 C ATOM 1655 CD GLU A 100 -15.514 7.627 12.953 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -15.462 8.125 14.097 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -16.539 7.654 12.241 1.00 0.00 O ATOM 0 H GLU A 100 -10.988 9.175 11.984 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.583 6.540 12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -13.057 8.548 13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.275 8.571 11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.497 6.525 11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.988 6.130 13.056 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.833 6.711 9.896 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.723 5.967 8.647 1.00 0.00 C ATOM 1666 C GLU A 101 -9.956 4.672 8.887 1.00 0.00 C ATOM 1667 O GLU A 101 -9.685 3.910 7.959 1.00 0.00 O ATOM 1668 CB GLU A 101 -10.023 6.806 7.578 1.00 0.00 C ATOM 1669 CG GLU A 101 -10.914 7.870 6.958 1.00 0.00 C ATOM 1670 CD GLU A 101 -10.482 8.249 5.555 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -10.286 7.334 4.727 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -10.340 9.460 5.284 1.00 0.00 O ATOM 0 H GLU A 101 -10.169 7.479 9.993 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.725 5.730 8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.150 7.287 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.659 6.146 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.942 7.508 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.905 8.759 7.589 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.613 4.440 10.151 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.879 3.246 10.544 1.00 0.00 C ATOM 1681 C ALA A 102 -9.570 2.532 11.701 1.00 0.00 C ATOM 1682 O ALA A 102 -10.282 1.549 11.494 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.449 3.605 10.921 1.00 0.00 C ATOM 0 H ALA A 102 -9.834 5.069 10.923 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.859 2.566 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.912 2.702 11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.951 4.063 10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.458 4.307 11.755 1.00 0.00 H new ATOM 1689 N SER A 103 -9.366 3.050 12.915 1.00 0.00 N ATOM 1690 CA SER A 103 -9.954 2.473 14.125 1.00 0.00 C ATOM 1691 C SER A 103 -9.275 3.028 15.373 1.00 0.00 C ATOM 1692 O SER A 103 -9.906 3.185 16.419 1.00 0.00 O ATOM 1693 CB SER A 103 -9.831 0.946 14.120 1.00 0.00 C ATOM 1694 OG SER A 103 -9.933 0.421 15.432 1.00 0.00 O ATOM 0 H SER A 103 -8.792 3.876 13.086 1.00 0.00 H new ATOM 0 HA SER A 103 -11.009 2.745 14.138 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.612 0.517 13.492 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.875 0.657 13.683 1.00 0.00 H new ATOM 0 HG SER A 103 -9.853 -0.555 15.401 1.00 0.00 H new ATOM 1700 N GLY A 104 -7.983 3.321 15.252 1.00 0.00 N ATOM 1701 CA GLY A 104 -7.222 3.843 16.373 1.00 0.00 C ATOM 1702 C GLY A 104 -7.677 5.214 16.844 1.00 0.00 C ATOM 1703 O GLY A 104 -6.989 5.849 17.643 1.00 0.00 O ATOM 0 H GLY A 104 -7.447 3.205 14.392 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.293 3.142 17.205 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.170 3.897 16.091 1.00 0.00 H new ATOM 1707 N SER A 105 -8.825 5.682 16.353 1.00 0.00 N ATOM 1708 CA SER A 105 -9.352 6.983 16.753 1.00 0.00 C ATOM 1709 C SER A 105 -8.461 8.115 16.275 1.00 0.00 C ATOM 1710 O SER A 105 -8.515 8.493 15.107 1.00 0.00 O ATOM 1711 CB SER A 105 -9.537 7.052 18.272 1.00 0.00 C ATOM 1712 OG SER A 105 -10.189 5.891 18.759 1.00 0.00 O ATOM 0 H SER A 105 -9.405 5.180 15.680 1.00 0.00 H new ATOM 0 HA SER A 105 -10.326 7.101 16.279 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.566 7.158 18.756 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.120 7.936 18.531 1.00 0.00 H new ATOM 0 HG SER A 105 -10.294 5.958 19.731 1.00 0.00 H new ATOM 1718 N SER A 106 -7.642 8.662 17.163 1.00 0.00 N ATOM 1719 CA SER A 106 -6.772 9.762 16.797 1.00 0.00 C ATOM 1720 C SER A 106 -5.649 9.318 15.870 1.00 0.00 C ATOM 1721 O SER A 106 -4.959 8.331 16.125 1.00 0.00 O ATOM 1722 CB SER A 106 -6.181 10.405 18.054 1.00 0.00 C ATOM 1723 OG SER A 106 -5.625 9.426 18.914 1.00 0.00 O ATOM 0 H SER A 106 -7.565 8.362 18.135 1.00 0.00 H new ATOM 0 HA SER A 106 -7.378 10.491 16.259 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.412 11.124 17.771 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.957 10.959 18.582 1.00 0.00 H new ATOM 0 HG SER A 106 -5.253 9.862 19.709 1.00 0.00 H new ATOM 1729 N VAL A 107 -5.483 10.070 14.793 1.00 0.00 N ATOM 1730 CA VAL A 107 -4.428 9.818 13.816 1.00 0.00 C ATOM 1731 C VAL A 107 -3.705 11.117 13.516 1.00 0.00 C ATOM 1732 O VAL A 107 -4.332 12.162 13.337 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.961 9.196 12.506 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -4.025 9.479 11.335 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -5.145 7.700 12.678 1.00 0.00 C ATOM 0 H VAL A 107 -6.073 10.871 14.569 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.743 9.091 14.253 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.925 9.654 12.283 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.429 9.028 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.934 10.556 11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.043 9.056 11.544 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.521 7.271 11.749 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.188 7.242 12.928 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.858 7.511 13.480 1.00 0.00 H new ATOM 1745 N THR A 108 -2.386 11.045 13.469 1.00 0.00 N ATOM 1746 CA THR A 108 -1.569 12.218 13.221 1.00 0.00 C ATOM 1747 C THR A 108 -2.047 13.006 12.003 1.00 0.00 C ATOM 1748 O THR A 108 -2.547 12.437 11.032 1.00 0.00 O ATOM 1749 CB THR A 108 -0.104 11.811 13.009 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.139 10.534 13.611 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.831 12.844 13.609 1.00 0.00 C ATOM 0 H THR A 108 -1.857 10.183 13.600 1.00 0.00 H new ATOM 0 HA THR A 108 -1.659 12.858 14.099 1.00 0.00 H new ATOM 0 HB THR A 108 0.085 11.750 11.937 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.075 10.279 13.471 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.864 12.537 13.448 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.661 13.809 13.132 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.640 12.929 14.679 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.883 14.323 12.074 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.264 15.219 10.987 1.00 0.00 C ATOM 1761 C ALA A 109 -1.152 15.303 9.953 1.00 0.00 C ATOM 1762 O ALA A 109 -1.348 15.798 8.842 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.594 16.601 11.530 1.00 0.00 C ATOM 0 H ALA A 109 -1.484 14.798 12.883 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.154 14.817 10.503 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.876 17.257 10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.422 16.527 12.235 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.721 17.011 12.038 1.00 0.00 H new ATOM 1769 N GLU A 110 0.020 14.814 10.338 1.00 0.00 N ATOM 1770 CA GLU A 110 1.190 14.843 9.473 1.00 0.00 C ATOM 1771 C GLU A 110 1.202 13.638 8.542 1.00 0.00 C ATOM 1772 O GLU A 110 1.895 13.629 7.526 1.00 0.00 O ATOM 1773 CB GLU A 110 2.471 14.872 10.308 1.00 0.00 C ATOM 1774 CG GLU A 110 2.779 16.237 10.904 1.00 0.00 C ATOM 1775 CD GLU A 110 3.879 16.184 11.945 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.062 16.093 11.554 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.558 16.233 13.151 1.00 0.00 O ATOM 0 H GLU A 110 0.185 14.390 11.251 1.00 0.00 H new ATOM 0 HA GLU A 110 1.143 15.749 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.386 14.144 11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.309 14.560 9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.071 16.920 10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.875 16.644 11.357 1.00 0.00 H new ATOM 1784 N GLU A 111 0.431 12.620 8.902 1.00 0.00 N ATOM 1785 CA GLU A 111 0.361 11.400 8.117 1.00 0.00 C ATOM 1786 C GLU A 111 -0.611 11.547 6.951 1.00 0.00 C ATOM 1787 O GLU A 111 -0.286 11.212 5.814 1.00 0.00 O ATOM 1788 CB GLU A 111 -0.068 10.230 9.012 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.735 9.092 8.262 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.809 7.821 9.084 1.00 0.00 C ATOM 1791 OE1 GLU A 111 -0.024 7.689 10.046 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.651 6.958 8.764 1.00 0.00 O ATOM 0 H GLU A 111 -0.156 12.618 9.736 1.00 0.00 H new ATOM 0 HA GLU A 111 1.351 11.202 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.808 9.844 9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.754 10.601 9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.742 9.393 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.184 8.895 7.342 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.803 12.052 7.237 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.826 12.205 6.214 1.00 0.00 C ATOM 1801 C ALA A 112 -2.745 13.535 5.462 1.00 0.00 C ATOM 1802 O ALA A 112 -2.919 13.572 4.244 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.203 12.047 6.840 1.00 0.00 C ATOM 0 H ALA A 112 -2.084 12.362 8.167 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.649 11.423 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.967 12.162 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.287 11.058 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.343 12.808 7.608 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.484 14.622 6.182 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.444 15.949 5.566 1.00 0.00 C ATOM 1811 C LYS A 113 -1.075 16.320 4.995 1.00 0.00 C ATOM 1812 O LYS A 113 -0.985 16.807 3.868 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.875 17.008 6.583 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.729 18.114 5.985 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.340 18.990 7.067 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.707 18.479 7.491 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.310 19.325 8.559 1.00 0.00 N ATOM 0 H LYS A 113 -2.298 14.614 7.185 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.137 15.916 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.432 16.524 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.986 17.450 7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.120 18.726 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.522 17.676 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.677 19.018 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.430 20.013 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.371 18.458 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.616 17.453 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.241 18.943 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.689 19.325 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.421 20.298 8.210 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.015 16.093 5.761 1.00 0.00 N ATOM 1832 CA LYS A 114 1.329 16.459 5.320 1.00 0.00 C ATOM 1833 C LYS A 114 1.771 15.665 4.095 1.00 0.00 C ATOM 1834 O LYS A 114 2.394 16.214 3.184 1.00 0.00 O ATOM 1835 CB LYS A 114 2.328 16.264 6.457 1.00 0.00 C ATOM 1836 CG LYS A 114 3.294 17.423 6.620 1.00 0.00 C ATOM 1837 CD LYS A 114 4.685 17.065 6.124 1.00 0.00 C ATOM 1838 CE LYS A 114 5.762 17.562 7.074 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.449 17.229 8.492 1.00 0.00 N ATOM 0 H LYS A 114 -0.057 15.661 6.684 1.00 0.00 H new ATOM 0 HA LYS A 114 1.300 17.511 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.782 16.123 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.896 15.351 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.922 18.288 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.344 17.711 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.766 15.984 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.842 17.498 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.720 17.120 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.868 18.642 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.332 17.035 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.959 18.031 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.838 16.388 8.524 1.00 0.00 H new ATOM 1853 N PHE A 115 1.454 14.379 4.075 1.00 0.00 N ATOM 1854 CA PHE A 115 1.836 13.515 2.963 1.00 0.00 C ATOM 1855 C PHE A 115 1.258 14.008 1.638 1.00 0.00 C ATOM 1856 O PHE A 115 1.924 13.953 0.605 1.00 0.00 O ATOM 1857 CB PHE A 115 1.378 12.085 3.235 1.00 0.00 C ATOM 1858 CG PHE A 115 2.393 11.266 3.977 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.581 11.439 5.338 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.154 10.318 3.314 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.507 10.680 6.025 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.081 9.556 3.996 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.258 9.737 5.352 1.00 0.00 C ATOM 0 H PHE A 115 0.933 13.909 4.815 1.00 0.00 H new ATOM 0 HA PHE A 115 2.922 13.541 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.452 12.111 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.151 11.597 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.996 12.176 5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.021 10.173 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.644 10.824 7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.667 8.818 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.983 9.142 5.887 1.00 0.00 H new ATOM 1873 N LEU A 116 0.020 14.490 1.672 1.00 0.00 N ATOM 1874 CA LEU A 116 -0.639 14.981 0.465 1.00 0.00 C ATOM 1875 C LEU A 116 -0.489 16.493 0.324 1.00 0.00 C ATOM 1876 O LEU A 116 -1.197 17.124 -0.462 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.121 14.604 0.485 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.425 13.159 0.086 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.709 12.314 1.318 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.598 13.111 -0.880 1.00 0.00 C ATOM 0 H LEU A 116 -0.546 14.551 2.518 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.157 14.512 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.511 14.778 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.660 15.272 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.550 12.747 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.923 11.289 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.839 12.324 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.569 12.722 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.801 12.076 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.479 13.540 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.355 13.683 -1.776 1.00 0.00 H new ATOM 1892 N ALA A 117 0.434 17.073 1.088 1.00 0.00 N ATOM 1893 CA ALA A 117 0.671 18.511 1.036 1.00 0.00 C ATOM 1894 C ALA A 117 2.127 18.818 0.683 1.00 0.00 C ATOM 1895 O ALA A 117 3.035 18.096 1.096 1.00 0.00 O ATOM 1896 CB ALA A 117 0.301 19.155 2.363 1.00 0.00 C ATOM 0 H ALA A 117 1.027 16.570 1.748 1.00 0.00 H new ATOM 0 HA ALA A 117 0.039 18.929 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.483 20.228 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.753 18.976 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.908 18.723 3.159 1.00 0.00 H new