USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 846 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 7 ASN : amide:sc= -0.377 K(o=-0.34,f=-3!) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0.0339 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -147:sc= 1.17 (180deg=-0.217) USER MOD Set 2.2: A 23 CYS SG : rot -160:sc= 0.835 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.985 K(o=2.2,f=-10!) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -165:sc= 1.26 (180deg=-0.29) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -109:sc= 1.25 (180deg=-0.0185) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 110:sc= -0.201 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 70:sc= 1.22 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0098 USER MOD Single : A 52 ASN : amide:sc= 0.142 K(o=0.14,f=-4.1!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 58 GLN : amide:sc= -0.411! C(o=-0.41!,f=-1.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.154 K(o=-0.15,f=-1) USER MOD Single : A 65 THR OG1 : rot -65:sc= 1.62 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 17:sc= 0.806 USER MOD Single : A 83 CYS SG : rot 101:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 19:sc= 0.616 USER MOD Single : A 90 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.69) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0142) USER MOD Single : A 101 GLN : amide:sc= -0.231 K(o=-0.23,f=-1) USER MOD Single : A 106 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -3.760 10.769 -7.087 1.00 0.00 N ATOM 2 CA ALA A 2 -2.958 11.956 -7.417 1.00 0.00 C ATOM 3 C ALA A 2 -3.098 12.248 -8.904 1.00 0.00 C ATOM 4 O ALA A 2 -3.920 11.605 -9.546 1.00 0.00 O ATOM 5 CB ALA A 2 -1.502 11.764 -6.995 1.00 0.00 C ATOM 0 HA ALA A 2 -3.325 12.819 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.929 12.655 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.454 11.597 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.083 10.902 -7.515 1.00 0.00 H new ATOM 13 N GLN A 3 -2.278 13.144 -9.464 1.00 0.00 N ATOM 14 CA GLN A 3 -2.203 13.406 -10.903 1.00 0.00 C ATOM 15 C GLN A 3 -2.288 12.125 -11.740 1.00 0.00 C ATOM 16 O GLN A 3 -3.180 11.961 -12.567 1.00 0.00 O ATOM 17 CB GLN A 3 -0.849 14.049 -11.218 1.00 0.00 C ATOM 18 CG GLN A 3 -0.708 15.524 -10.848 1.00 0.00 C ATOM 19 CD GLN A 3 0.651 16.065 -11.301 1.00 0.00 C ATOM 20 OE1 GLN A 3 1.707 15.576 -10.891 1.00 0.00 O ATOM 21 NE2 GLN A 3 0.670 17.035 -12.195 1.00 0.00 N ATOM 0 H GLN A 3 -1.636 13.718 -8.918 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.045 14.051 -11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.073 13.488 -10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.658 13.942 -12.286 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.508 16.099 -11.313 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.813 15.646 -9.770 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.206 17.436 -12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.560 17.384 -12.550 1.00 0.00 H new ATOM 30 N GLU A 4 -1.307 11.243 -11.541 1.00 0.00 N ATOM 31 CA GLU A 4 -1.020 10.125 -12.420 1.00 0.00 C ATOM 32 C GLU A 4 -0.132 9.147 -11.674 1.00 0.00 C ATOM 33 O GLU A 4 -0.521 8.000 -11.562 1.00 0.00 O ATOM 34 CB GLU A 4 -0.347 10.618 -13.699 1.00 0.00 C ATOM 35 CG GLU A 4 -0.009 9.455 -14.645 1.00 0.00 C ATOM 36 CD GLU A 4 -1.225 8.699 -15.184 1.00 0.00 C ATOM 37 OE1 GLU A 4 -2.208 9.345 -15.623 1.00 0.00 O ATOM 38 OE2 GLU A 4 -1.176 7.452 -15.253 1.00 0.00 O ATOM 0 H GLU A 4 -0.677 11.294 -10.740 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.944 9.624 -12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.004 11.323 -14.208 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.565 11.159 -13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.564 9.844 -15.487 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.636 8.751 -14.119 1.00 0.00 H new ATOM 45 N PHE A 5 1.011 9.564 -11.124 1.00 0.00 N ATOM 46 CA PHE A 5 2.043 8.642 -10.640 1.00 0.00 C ATOM 47 C PHE A 5 1.522 7.616 -9.618 1.00 0.00 C ATOM 48 O PHE A 5 1.925 6.456 -9.648 1.00 0.00 O ATOM 49 CB PHE A 5 3.212 9.460 -10.082 1.00 0.00 C ATOM 50 CG PHE A 5 4.387 8.613 -9.646 1.00 0.00 C ATOM 51 CD1 PHE A 5 5.332 8.166 -10.588 1.00 0.00 C ATOM 52 CD2 PHE A 5 4.537 8.269 -8.292 1.00 0.00 C ATOM 53 CE1 PHE A 5 6.420 7.377 -10.176 1.00 0.00 C ATOM 54 CE2 PHE A 5 5.635 7.499 -7.880 1.00 0.00 C ATOM 55 CZ PHE A 5 6.577 7.047 -8.818 1.00 0.00 C ATOM 0 H PHE A 5 1.248 10.549 -11.001 1.00 0.00 H new ATOM 0 HA PHE A 5 2.381 8.042 -11.485 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.546 10.167 -10.842 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.862 10.047 -9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.221 8.430 -11.629 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.806 8.598 -7.568 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.136 7.024 -10.903 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.756 7.253 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.418 6.449 -8.498 1.00 0.00 H new ATOM 65 N VAL A 6 0.581 8.018 -8.760 1.00 0.00 N ATOM 66 CA VAL A 6 -0.158 7.119 -7.869 1.00 0.00 C ATOM 67 C VAL A 6 -0.996 6.150 -8.713 1.00 0.00 C ATOM 68 O VAL A 6 -0.849 4.933 -8.640 1.00 0.00 O ATOM 69 CB VAL A 6 -1.000 7.981 -6.891 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.253 7.344 -6.262 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.104 8.498 -5.756 1.00 0.00 C ATOM 0 H VAL A 6 0.306 8.995 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 6 0.510 6.505 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.389 8.769 -7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.736 8.065 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.947 7.051 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.964 6.464 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.698 9.103 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.324 7.653 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.699 9.106 -6.174 1.00 0.00 H new ATOM 81 N ASN A 7 -1.891 6.716 -9.513 1.00 0.00 N ATOM 82 CA ASN A 7 -2.990 6.079 -10.224 1.00 0.00 C ATOM 83 C ASN A 7 -2.461 5.078 -11.264 1.00 0.00 C ATOM 84 O ASN A 7 -3.065 4.030 -11.482 1.00 0.00 O ATOM 85 CB ASN A 7 -3.843 7.173 -10.903 1.00 0.00 C ATOM 86 CG ASN A 7 -4.249 8.371 -10.028 1.00 0.00 C ATOM 87 OD1 ASN A 7 -3.794 8.583 -8.900 1.00 0.00 O ATOM 88 ND2 ASN A 7 -5.056 9.262 -10.551 1.00 0.00 N ATOM 0 H ASN A 7 -1.863 7.719 -9.696 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.605 5.522 -9.517 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.290 7.551 -11.763 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.751 6.708 -11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.293 10.105 -10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.447 9.113 -11.481 1.00 0.00 H new ATOM 95 N CYS A 8 -1.311 5.397 -11.853 1.00 0.00 N ATOM 96 CA CYS A 8 -0.468 4.623 -12.747 1.00 0.00 C ATOM 97 C CYS A 8 -0.111 3.280 -12.114 1.00 0.00 C ATOM 98 O CYS A 8 -0.262 2.235 -12.744 1.00 0.00 O ATOM 99 CB CYS A 8 0.783 5.488 -13.009 1.00 0.00 C ATOM 100 SG CYS A 8 2.220 4.564 -13.613 1.00 0.00 S ATOM 0 H CYS A 8 -0.903 6.318 -11.691 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.973 4.390 -13.684 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.530 6.259 -13.737 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.057 5.998 -12.086 1.00 0.00 H new ATOM 0 HG CYS A 8 3.213 5.381 -13.803 1.00 0.00 H new ATOM 106 N LYS A 9 0.388 3.303 -10.876 1.00 0.00 N ATOM 107 CA LYS A 9 0.912 2.112 -10.214 1.00 0.00 C ATOM 108 C LYS A 9 -0.198 1.123 -9.861 1.00 0.00 C ATOM 109 O LYS A 9 0.100 -0.025 -9.548 1.00 0.00 O ATOM 110 CB LYS A 9 1.683 2.537 -8.953 1.00 0.00 C ATOM 111 CG LYS A 9 2.940 3.372 -9.258 1.00 0.00 C ATOM 112 CD LYS A 9 4.118 2.513 -9.723 1.00 0.00 C ATOM 113 CE LYS A 9 5.437 3.296 -9.669 1.00 0.00 C ATOM 114 NZ LYS A 9 5.535 4.358 -10.691 1.00 0.00 N ATOM 0 H LYS A 9 0.439 4.148 -10.307 1.00 0.00 H new ATOM 0 HA LYS A 9 1.585 1.600 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.020 3.114 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.974 1.646 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.705 4.108 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.229 3.926 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.194 1.626 -9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.939 2.168 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.545 3.743 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.268 2.602 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.230 4.082 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.607 4.495 -11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.837 5.246 -10.241 1.00 0.00 H new ATOM 128 N ILE A 10 -1.460 1.544 -9.844 1.00 0.00 N ATOM 129 CA ILE A 10 -2.572 0.673 -9.522 1.00 0.00 C ATOM 130 C ILE A 10 -2.824 -0.266 -10.714 1.00 0.00 C ATOM 131 O ILE A 10 -3.072 0.213 -11.822 1.00 0.00 O ATOM 132 CB ILE A 10 -3.836 1.521 -9.240 1.00 0.00 C ATOM 133 CG1 ILE A 10 -3.705 2.834 -8.487 1.00 0.00 C ATOM 134 CG2 ILE A 10 -4.965 0.640 -8.706 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.211 2.568 -7.116 1.00 0.00 C ATOM 0 H ILE A 10 -1.734 2.503 -10.055 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.340 0.086 -8.633 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.081 1.909 -10.229 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.018 3.499 -9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.669 3.340 -8.446 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.845 1.253 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.210 -0.125 -9.443 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.646 0.162 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.116 3.509 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.915 1.919 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.238 2.080 -7.168 1.00 0.00 H new ATOM 147 N GLN A 11 -2.925 -1.577 -10.480 1.00 0.00 N ATOM 148 CA GLN A 11 -3.568 -2.519 -11.400 1.00 0.00 C ATOM 149 C GLN A 11 -4.548 -3.385 -10.598 1.00 0.00 C ATOM 150 O GLN A 11 -4.375 -3.526 -9.380 1.00 0.00 O ATOM 151 CB GLN A 11 -2.535 -3.432 -12.092 1.00 0.00 C ATOM 152 CG GLN A 11 -1.873 -2.811 -13.333 1.00 0.00 C ATOM 153 CD GLN A 11 -0.614 -2.001 -13.044 1.00 0.00 C ATOM 154 OE1 GLN A 11 -0.173 -1.883 -11.910 1.00 0.00 O ATOM 155 NE2 GLN A 11 0.043 -1.491 -14.066 1.00 0.00 N ATOM 0 H GLN A 11 -2.559 -2.019 -9.637 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.086 -1.953 -12.174 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.759 -3.693 -11.373 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.026 -4.361 -12.383 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.623 -3.609 -14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.597 -2.166 -13.830 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.327 -1.591 -15.011 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.922 -0.996 -13.912 1.00 0.00 H new ATOM 164 N PRO A 12 -5.545 -4.016 -11.246 1.00 0.00 N ATOM 165 CA PRO A 12 -6.397 -5.033 -10.636 1.00 0.00 C ATOM 166 C PRO A 12 -5.630 -6.357 -10.529 1.00 0.00 C ATOM 167 O PRO A 12 -5.891 -7.328 -11.246 1.00 0.00 O ATOM 168 CB PRO A 12 -7.629 -5.111 -11.537 1.00 0.00 C ATOM 169 CG PRO A 12 -7.058 -4.793 -12.919 1.00 0.00 C ATOM 170 CD PRO A 12 -5.970 -3.764 -12.619 1.00 0.00 C ATOM 0 HA PRO A 12 -6.699 -4.796 -9.616 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.090 -6.098 -11.507 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.393 -4.393 -11.240 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.650 -5.682 -13.400 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.820 -4.390 -13.587 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.134 -3.867 -13.311 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.352 -2.749 -12.729 1.00 0.00 H new ATOM 178 N GLY A 13 -4.645 -6.365 -9.637 1.00 0.00 N ATOM 179 CA GLY A 13 -3.665 -7.401 -9.447 1.00 0.00 C ATOM 180 C GLY A 13 -2.287 -6.756 -9.386 1.00 0.00 C ATOM 181 O GLY A 13 -1.456 -6.945 -10.271 1.00 0.00 O ATOM 0 H GLY A 13 -4.511 -5.589 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.867 -7.950 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.711 -8.121 -10.265 1.00 0.00 H new ATOM 185 N LYS A 14 -2.074 -5.947 -8.350 1.00 0.00 N ATOM 186 CA LYS A 14 -0.798 -5.437 -7.868 1.00 0.00 C ATOM 187 C LYS A 14 -0.983 -5.218 -6.375 1.00 0.00 C ATOM 188 O LYS A 14 -2.121 -5.082 -5.920 1.00 0.00 O ATOM 189 CB LYS A 14 -0.440 -4.117 -8.586 1.00 0.00 C ATOM 190 CG LYS A 14 0.724 -4.292 -9.579 1.00 0.00 C ATOM 191 CD LYS A 14 2.047 -3.640 -9.131 1.00 0.00 C ATOM 192 CE LYS A 14 2.341 -2.249 -9.704 1.00 0.00 C ATOM 193 NZ LYS A 14 2.431 -2.260 -11.178 1.00 0.00 N ATOM 0 H LYS A 14 -2.851 -5.606 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 14 0.020 -6.129 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.316 -3.745 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.173 -3.363 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.893 -5.357 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.432 -3.869 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.044 -3.569 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.867 -4.304 -9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.557 -1.558 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.277 -1.877 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.874 -1.378 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.006 -3.071 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.477 -2.339 -11.583 1.00 0.00 H new ATOM 207 N VAL A 15 0.104 -5.167 -5.619 1.00 0.00 N ATOM 208 CA VAL A 15 0.092 -4.807 -4.221 1.00 0.00 C ATOM 209 C VAL A 15 0.911 -3.529 -4.095 1.00 0.00 C ATOM 210 O VAL A 15 2.115 -3.575 -3.877 1.00 0.00 O ATOM 211 CB VAL A 15 0.647 -5.967 -3.386 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.611 -5.546 -1.916 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.125 -7.276 -3.576 1.00 0.00 C ATOM 0 H VAL A 15 1.036 -5.381 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.914 -4.622 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 15 1.664 -6.170 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.001 -6.354 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.223 -4.655 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.417 -5.329 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.321 -8.054 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.165 -7.131 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.081 -7.576 -4.623 1.00 0.00 H new ATOM 223 N VAL A 16 0.296 -2.371 -4.270 1.00 0.00 N ATOM 224 CA VAL A 16 1.008 -1.125 -4.053 1.00 0.00 C ATOM 225 C VAL A 16 0.928 -0.781 -2.567 1.00 0.00 C ATOM 226 O VAL A 16 -0.049 -1.114 -1.895 1.00 0.00 O ATOM 227 CB VAL A 16 0.440 -0.060 -5.001 1.00 0.00 C ATOM 228 CG1 VAL A 16 0.970 1.347 -4.714 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.823 -0.452 -6.433 1.00 0.00 C ATOM 0 H VAL A 16 -0.678 -2.268 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 16 2.069 -1.195 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.640 -0.026 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.530 2.052 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.703 1.636 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.055 1.356 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.432 0.289 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.909 -0.495 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.401 -1.429 -6.668 1.00 0.00 H new ATOM 239 N VAL A 17 1.924 -0.068 -2.052 1.00 0.00 N ATOM 240 CA VAL A 17 1.805 0.680 -0.814 1.00 0.00 C ATOM 241 C VAL A 17 2.346 2.068 -1.103 1.00 0.00 C ATOM 242 O VAL A 17 3.524 2.200 -1.434 1.00 0.00 O ATOM 243 CB VAL A 17 2.545 0.018 0.361 1.00 0.00 C ATOM 244 CG1 VAL A 17 1.917 0.495 1.679 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.547 -1.514 0.296 1.00 0.00 C ATOM 0 H VAL A 17 2.843 0.005 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 17 0.763 0.715 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 17 3.590 0.322 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.435 0.031 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.005 1.579 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.864 0.214 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.086 -1.914 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.520 -1.880 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.036 -1.839 -0.622 1.00 0.00 H new ATOM 255 N PHE A 18 1.501 3.093 -1.018 1.00 0.00 N ATOM 256 CA PHE A 18 1.995 4.463 -1.059 1.00 0.00 C ATOM 257 C PHE A 18 2.581 4.753 0.330 1.00 0.00 C ATOM 258 O PHE A 18 1.900 4.509 1.334 1.00 0.00 O ATOM 259 CB PHE A 18 0.871 5.432 -1.456 1.00 0.00 C ATOM 260 CG PHE A 18 0.315 5.103 -2.825 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.120 5.307 -3.961 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.947 4.496 -2.962 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.678 4.876 -5.221 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.398 4.095 -4.232 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.582 4.280 -5.358 1.00 0.00 C ATOM 0 H PHE A 18 0.490 3.003 -0.922 1.00 0.00 H new ATOM 0 HA PHE A 18 2.768 4.598 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.071 5.387 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.251 6.454 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.078 5.795 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.568 4.338 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.311 5.004 -6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.373 3.644 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.926 3.963 -6.331 1.00 0.00 H new ATOM 275 N ILE A 19 3.841 5.188 0.397 1.00 0.00 N ATOM 276 CA ILE A 19 4.658 5.324 1.608 1.00 0.00 C ATOM 277 C ILE A 19 5.610 6.523 1.505 1.00 0.00 C ATOM 278 O ILE A 19 5.670 7.171 0.469 1.00 0.00 O ATOM 279 CB ILE A 19 5.458 4.018 1.838 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.303 3.561 0.626 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.510 2.889 2.242 1.00 0.00 C ATOM 282 CD1 ILE A 19 7.757 4.020 0.690 1.00 0.00 C ATOM 0 H ILE A 19 4.349 5.472 -0.441 1.00 0.00 H new ATOM 0 HA ILE A 19 3.997 5.500 2.456 1.00 0.00 H new ATOM 0 HB ILE A 19 6.164 4.246 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.276 2.473 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.849 3.944 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.081 1.974 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.993 3.160 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.779 2.727 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.290 3.664 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.794 5.109 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.227 3.615 1.586 1.00 0.00 H new ATOM 294 N LYS A 20 6.374 6.811 2.563 1.00 0.00 N ATOM 295 CA LYS A 20 7.470 7.792 2.607 1.00 0.00 C ATOM 296 C LYS A 20 8.765 7.073 2.983 1.00 0.00 C ATOM 297 O LYS A 20 8.698 6.035 3.651 1.00 0.00 O ATOM 298 CB LYS A 20 7.172 8.941 3.598 1.00 0.00 C ATOM 299 CG LYS A 20 6.463 8.529 4.890 1.00 0.00 C ATOM 300 CD LYS A 20 4.990 8.950 4.875 1.00 0.00 C ATOM 301 CE LYS A 20 4.796 10.458 5.104 1.00 0.00 C ATOM 302 NZ LYS A 20 5.246 10.887 6.442 1.00 0.00 N ATOM 0 H LYS A 20 6.240 6.344 3.460 1.00 0.00 H new ATOM 0 HA LYS A 20 7.574 8.245 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.113 9.426 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.560 9.686 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.533 7.449 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.965 8.984 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.548 8.673 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.452 8.398 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.347 11.012 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.742 10.709 4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.647 11.669 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.174 10.089 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.235 11.206 6.390 1.00 0.00 H new ATOM 316 N PRO A 21 9.941 7.661 2.704 1.00 0.00 N ATOM 317 CA PRO A 21 11.235 7.060 2.965 1.00 0.00 C ATOM 318 C PRO A 21 11.640 7.268 4.430 1.00 0.00 C ATOM 319 O PRO A 21 12.832 7.366 4.733 1.00 0.00 O ATOM 320 CB PRO A 21 12.174 7.743 1.964 1.00 0.00 C ATOM 321 CG PRO A 21 11.621 9.159 1.849 1.00 0.00 C ATOM 322 CD PRO A 21 10.132 8.972 2.099 1.00 0.00 C ATOM 0 HA PRO A 21 11.252 5.978 2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.204 7.744 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.170 7.233 1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.072 9.828 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.813 9.588 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.754 9.755 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.576 9.046 1.164 1.00 0.00 H new ATOM 330 N THR A 22 10.684 7.425 5.349 1.00 0.00 N ATOM 331 CA THR A 22 10.957 7.469 6.774 1.00 0.00 C ATOM 332 C THR A 22 9.887 6.656 7.505 1.00 0.00 C ATOM 333 O THR A 22 9.953 5.431 7.375 1.00 0.00 O ATOM 334 CB THR A 22 11.335 8.858 7.272 1.00 0.00 C ATOM 335 OG1 THR A 22 11.427 8.938 8.678 1.00 0.00 O ATOM 336 CG2 THR A 22 10.368 9.861 6.744 1.00 0.00 C ATOM 0 H THR A 22 9.696 7.525 5.117 1.00 0.00 H new ATOM 0 HA THR A 22 11.886 6.960 7.031 1.00 0.00 H new ATOM 0 HB THR A 22 12.334 9.076 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.674 9.850 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.641 10.854 7.102 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.391 9.850 5.654 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.364 9.615 7.089 1.00 0.00 H new ATOM 344 N CYS A 23 8.937 7.293 8.206 1.00 0.00 N ATOM 345 CA CYS A 23 7.756 6.765 8.872 1.00 0.00 C ATOM 346 C CYS A 23 7.939 5.353 9.438 1.00 0.00 C ATOM 347 O CYS A 23 7.773 4.398 8.680 1.00 0.00 O ATOM 348 CB CYS A 23 6.475 6.912 8.046 1.00 0.00 C ATOM 349 SG CYS A 23 5.698 8.528 8.251 1.00 0.00 S ATOM 0 H CYS A 23 8.993 8.304 8.328 1.00 0.00 H new ATOM 0 HA CYS A 23 7.625 7.407 9.743 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.707 6.755 6.992 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.769 6.134 8.336 1.00 0.00 H new ATOM 0 HG CYS A 23 4.451 8.458 7.892 1.00 0.00 H new ATOM 354 N PRO A 24 8.106 5.166 10.756 1.00 0.00 N ATOM 355 CA PRO A 24 8.130 3.824 11.333 1.00 0.00 C ATOM 356 C PRO A 24 6.826 3.049 11.060 1.00 0.00 C ATOM 357 O PRO A 24 6.815 1.821 11.146 1.00 0.00 O ATOM 358 CB PRO A 24 8.423 4.022 12.820 1.00 0.00 C ATOM 359 CG PRO A 24 7.969 5.453 13.112 1.00 0.00 C ATOM 360 CD PRO A 24 8.126 6.191 11.786 1.00 0.00 C ATOM 0 HA PRO A 24 8.897 3.200 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.880 3.301 13.431 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.483 3.890 13.037 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.936 5.477 13.458 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.577 5.909 13.893 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.318 6.908 11.640 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.059 6.753 11.760 1.00 0.00 H new ATOM 368 N TYR A 25 5.748 3.739 10.676 1.00 0.00 N ATOM 369 CA TYR A 25 4.479 3.152 10.277 1.00 0.00 C ATOM 370 C TYR A 25 4.633 2.542 8.873 1.00 0.00 C ATOM 371 O TYR A 25 4.254 1.396 8.657 1.00 0.00 O ATOM 372 CB TYR A 25 3.441 4.278 10.230 1.00 0.00 C ATOM 373 CG TYR A 25 3.192 4.929 11.576 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.558 4.242 12.631 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.660 6.241 11.777 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.414 4.866 13.887 1.00 0.00 C ATOM 377 CE2 TYR A 25 3.511 6.868 13.021 1.00 0.00 C ATOM 378 CZ TYR A 25 2.908 6.176 14.092 1.00 0.00 C ATOM 379 OH TYR A 25 2.848 6.774 15.309 1.00 0.00 O ATOM 0 H TYR A 25 5.742 4.758 10.635 1.00 0.00 H new ATOM 0 HA TYR A 25 4.170 2.376 10.977 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.774 5.039 9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.501 3.879 9.849 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.184 3.241 12.478 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.138 6.769 10.965 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.925 4.342 14.695 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.858 7.881 13.160 1.00 0.00 H new ATOM 0 HH TYR A 25 3.238 7.671 15.252 1.00 0.00 H new ATOM 389 N CYS A 26 5.213 3.282 7.917 1.00 0.00 N ATOM 390 CA CYS A 26 5.513 2.772 6.582 1.00 0.00 C ATOM 391 C CYS A 26 6.541 1.647 6.690 1.00 0.00 C ATOM 392 O CYS A 26 6.361 0.595 6.087 1.00 0.00 O ATOM 393 CB CYS A 26 6.048 3.895 5.684 1.00 0.00 C ATOM 394 SG CYS A 26 4.707 5.021 5.195 1.00 0.00 S ATOM 0 H CYS A 26 5.486 4.255 8.054 1.00 0.00 H new ATOM 0 HA CYS A 26 4.598 2.385 6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.823 4.452 6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.512 3.467 4.796 1.00 0.00 H new ATOM 0 HG CYS A 26 4.863 6.166 5.791 1.00 0.00 H new ATOM 400 N ARG A 27 7.585 1.839 7.502 1.00 0.00 N ATOM 401 CA ARG A 27 8.602 0.833 7.787 1.00 0.00 C ATOM 402 C ARG A 27 7.950 -0.460 8.260 1.00 0.00 C ATOM 403 O ARG A 27 8.312 -1.525 7.762 1.00 0.00 O ATOM 404 CB ARG A 27 9.588 1.377 8.828 1.00 0.00 C ATOM 405 CG ARG A 27 10.970 0.726 8.713 1.00 0.00 C ATOM 406 CD ARG A 27 11.848 1.214 9.872 1.00 0.00 C ATOM 407 NE ARG A 27 13.261 1.342 9.488 1.00 0.00 N ATOM 408 CZ ARG A 27 14.294 0.612 9.919 1.00 0.00 C ATOM 409 NH1 ARG A 27 14.106 -0.519 10.587 1.00 0.00 N ATOM 410 NH2 ARG A 27 15.525 1.050 9.677 1.00 0.00 N ATOM 0 H ARG A 27 7.746 2.721 7.989 1.00 0.00 H new ATOM 0 HA ARG A 27 9.156 0.608 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.685 2.456 8.705 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.189 1.205 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.879 -0.360 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.429 0.983 7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.480 2.179 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.763 0.519 10.707 1.00 0.00 H new ATOM 0 HE ARG A 27 13.479 2.075 8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.159 -0.846 10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.908 -1.062 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.665 1.925 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.330 0.511 9.996 1.00 0.00 H new ATOM 424 N ARG A 28 6.974 -0.375 9.172 1.00 0.00 N ATOM 425 CA ARG A 28 6.209 -1.535 9.601 1.00 0.00 C ATOM 426 C ARG A 28 5.566 -2.191 8.399 1.00 0.00 C ATOM 427 O ARG A 28 5.805 -3.369 8.172 1.00 0.00 O ATOM 428 CB ARG A 28 5.127 -1.158 10.617 1.00 0.00 C ATOM 429 CG ARG A 28 4.430 -2.417 11.160 1.00 0.00 C ATOM 430 CD ARG A 28 4.820 -2.691 12.613 1.00 0.00 C ATOM 431 NE ARG A 28 6.162 -3.293 12.728 1.00 0.00 N ATOM 432 CZ ARG A 28 6.568 -4.002 13.784 1.00 0.00 C ATOM 433 NH1 ARG A 28 5.899 -3.938 14.927 1.00 0.00 N ATOM 434 NH2 ARG A 28 7.624 -4.787 13.676 1.00 0.00 N ATOM 0 H ARG A 28 6.700 0.496 9.626 1.00 0.00 H new ATOM 0 HA ARG A 28 6.897 -2.228 10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.573 -0.599 11.440 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.393 -0.503 10.148 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.349 -2.295 11.089 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.695 -3.276 10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.793 -1.758 13.176 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.085 -3.357 13.065 1.00 0.00 H new ATOM 0 HE ARG A 28 6.817 -3.160 11.957 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.072 -3.346 15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.212 -4.481 15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.125 -4.849 12.790 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.939 -5.331 14.479 1.00 0.00 H new ATOM 448 N ALA A 29 4.717 -1.461 7.680 1.00 0.00 N ATOM 449 CA ALA A 29 3.976 -2.048 6.570 1.00 0.00 C ATOM 450 C ALA A 29 4.920 -2.718 5.567 1.00 0.00 C ATOM 451 O ALA A 29 4.586 -3.793 5.079 1.00 0.00 O ATOM 452 CB ALA A 29 3.086 -1.010 5.885 1.00 0.00 C ATOM 0 H ALA A 29 4.527 -0.472 7.844 1.00 0.00 H new ATOM 0 HA ALA A 29 3.325 -2.820 6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.547 -1.479 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.372 -0.611 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.704 -0.199 5.499 1.00 0.00 H new ATOM 458 N GLN A 30 6.104 -2.154 5.310 1.00 0.00 N ATOM 459 CA GLN A 30 7.098 -2.731 4.435 1.00 0.00 C ATOM 460 C GLN A 30 7.545 -4.102 4.893 1.00 0.00 C ATOM 461 O GLN A 30 7.544 -5.018 4.078 1.00 0.00 O ATOM 462 CB GLN A 30 8.314 -1.784 4.299 1.00 0.00 C ATOM 463 CG GLN A 30 8.489 -1.311 2.860 1.00 0.00 C ATOM 464 CD GLN A 30 8.555 0.212 2.733 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.546 0.894 2.893 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.724 0.768 2.448 1.00 0.00 N ATOM 0 H GLN A 30 6.393 -1.265 5.719 1.00 0.00 H new ATOM 0 HA GLN A 30 6.630 -2.856 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.182 -0.923 4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.217 -2.299 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.402 -1.744 2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.661 -1.684 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.549 0.183 2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.798 1.781 2.358 1.00 0.00 H new ATOM 475 N GLU A 31 7.964 -4.247 6.149 1.00 0.00 N ATOM 476 CA GLU A 31 8.475 -5.530 6.629 1.00 0.00 C ATOM 477 C GLU A 31 7.325 -6.518 6.781 1.00 0.00 C ATOM 478 O GLU A 31 7.449 -7.662 6.366 1.00 0.00 O ATOM 479 CB GLU A 31 9.314 -5.369 7.912 1.00 0.00 C ATOM 480 CG GLU A 31 8.559 -4.778 9.109 1.00 0.00 C ATOM 481 CD GLU A 31 9.414 -4.361 10.307 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.668 -4.304 10.242 1.00 0.00 O ATOM 483 OE2 GLU A 31 8.793 -4.000 11.334 1.00 0.00 O ATOM 0 H GLU A 31 7.960 -3.502 6.846 1.00 0.00 H new ATOM 0 HA GLU A 31 9.162 -5.939 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.708 -6.345 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.170 -4.732 7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.001 -3.907 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.827 -5.511 9.449 1.00 0.00 H new ATOM 490 N ILE A 32 6.184 -6.054 7.286 1.00 0.00 N ATOM 491 CA ILE A 32 4.960 -6.831 7.427 1.00 0.00 C ATOM 492 C ILE A 32 4.586 -7.444 6.082 1.00 0.00 C ATOM 493 O ILE A 32 4.335 -8.650 6.005 1.00 0.00 O ATOM 494 CB ILE A 32 3.847 -5.912 7.982 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.972 -5.853 9.517 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.433 -6.334 7.567 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.836 -5.104 10.221 1.00 0.00 C ATOM 0 H ILE A 32 6.085 -5.095 7.619 1.00 0.00 H new ATOM 0 HA ILE A 32 5.101 -7.653 8.129 1.00 0.00 H new ATOM 0 HB ILE A 32 3.992 -4.923 7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.013 -6.871 9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.918 -5.376 9.773 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.707 -5.642 7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.353 -6.319 6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.232 -7.341 7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.007 -5.113 11.298 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.805 -4.074 9.867 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.887 -5.592 10.000 1.00 0.00 H new ATOM 509 N LEU A 33 4.497 -6.611 5.039 1.00 0.00 N ATOM 510 CA LEU A 33 4.039 -7.094 3.754 1.00 0.00 C ATOM 511 C LEU A 33 5.146 -7.930 3.128 1.00 0.00 C ATOM 512 O LEU A 33 4.846 -9.015 2.640 1.00 0.00 O ATOM 513 CB LEU A 33 3.598 -5.973 2.796 1.00 0.00 C ATOM 514 CG LEU A 33 2.091 -5.647 2.861 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.795 -4.448 1.965 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.216 -6.817 2.385 1.00 0.00 C ATOM 0 H LEU A 33 4.734 -5.619 5.068 1.00 0.00 H new ATOM 0 HA LEU A 33 3.148 -7.698 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.165 -5.070 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.853 -6.260 1.776 1.00 0.00 H new ATOM 0 HG LEU A 33 1.854 -5.439 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.731 -4.215 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.369 -3.587 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.073 -4.684 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.165 -6.536 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.463 -7.059 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.399 -7.688 3.015 1.00 0.00 H new ATOM 528 N SER A 34 6.407 -7.470 3.170 1.00 0.00 N ATOM 529 CA SER A 34 7.526 -8.274 2.666 1.00 0.00 C ATOM 530 C SER A 34 7.626 -9.662 3.320 1.00 0.00 C ATOM 531 O SER A 34 8.109 -10.598 2.684 1.00 0.00 O ATOM 532 CB SER A 34 8.847 -7.534 2.879 1.00 0.00 C ATOM 533 OG SER A 34 8.847 -6.311 2.170 1.00 0.00 O ATOM 0 H SER A 34 6.672 -6.558 3.543 1.00 0.00 H new ATOM 0 HA SER A 34 7.332 -8.425 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.998 -7.345 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.677 -8.156 2.544 1.00 0.00 H new ATOM 0 HG SER A 34 8.221 -5.687 2.594 1.00 0.00 H new ATOM 539 N GLN A 35 7.163 -9.828 4.562 1.00 0.00 N ATOM 540 CA GLN A 35 7.255 -11.093 5.278 1.00 0.00 C ATOM 541 C GLN A 35 6.257 -12.110 4.722 1.00 0.00 C ATOM 542 O GLN A 35 6.445 -13.305 4.955 1.00 0.00 O ATOM 543 CB GLN A 35 6.966 -10.855 6.774 1.00 0.00 C ATOM 544 CG GLN A 35 8.178 -10.350 7.565 1.00 0.00 C ATOM 545 CD GLN A 35 8.978 -11.514 8.133 1.00 0.00 C ATOM 546 OE1 GLN A 35 9.850 -12.072 7.470 1.00 0.00 O ATOM 547 NE2 GLN A 35 8.726 -11.898 9.371 1.00 0.00 N ATOM 0 H GLN A 35 6.714 -9.084 5.096 1.00 0.00 H new ATOM 0 HA GLN A 35 8.261 -11.492 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.156 -10.132 6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.615 -11.786 7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.815 -9.747 6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.844 -9.703 8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.000 -11.429 9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.257 -12.664 9.785 1.00 0.00 H new ATOM 556 N LEU A 36 5.210 -11.688 4.010 1.00 0.00 N ATOM 557 CA LEU A 36 4.313 -12.602 3.334 1.00 0.00 C ATOM 558 C LEU A 36 4.889 -12.886 1.943 1.00 0.00 C ATOM 559 O LEU A 36 5.289 -11.949 1.252 1.00 0.00 O ATOM 560 CB LEU A 36 2.921 -11.978 3.225 1.00 0.00 C ATOM 561 CG LEU A 36 2.224 -11.718 4.573 1.00 0.00 C ATOM 562 CD1 LEU A 36 0.836 -11.120 4.337 1.00 0.00 C ATOM 563 CD2 LEU A 36 2.071 -12.986 5.418 1.00 0.00 C ATOM 0 H LEU A 36 4.968 -10.704 3.891 1.00 0.00 H new ATOM 0 HA LEU A 36 4.220 -13.533 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.002 -11.034 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.290 -12.634 2.626 1.00 0.00 H new ATOM 0 HG LEU A 36 2.860 -11.023 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.350 -10.939 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.933 -10.179 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.235 -11.815 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.573 -12.740 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.475 -13.718 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.055 -13.404 5.628 1.00 0.00 H new ATOM 575 N PRO A 37 4.941 -14.153 1.507 1.00 0.00 N ATOM 576 CA PRO A 37 5.458 -14.499 0.197 1.00 0.00 C ATOM 577 C PRO A 37 4.422 -14.116 -0.859 1.00 0.00 C ATOM 578 O PRO A 37 3.313 -14.652 -0.861 1.00 0.00 O ATOM 579 CB PRO A 37 5.729 -16.000 0.264 1.00 0.00 C ATOM 580 CG PRO A 37 4.689 -16.518 1.260 1.00 0.00 C ATOM 581 CD PRO A 37 4.485 -15.340 2.214 1.00 0.00 C ATOM 0 HA PRO A 37 6.372 -13.972 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.616 -16.470 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.744 -16.208 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.760 -16.795 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.045 -17.403 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.436 -15.245 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.050 -15.484 3.135 1.00 0.00 H new ATOM 589 N ILE A 38 4.740 -13.154 -1.722 1.00 0.00 N ATOM 590 CA ILE A 38 3.777 -12.531 -2.624 1.00 0.00 C ATOM 591 C ILE A 38 4.426 -12.549 -4.005 1.00 0.00 C ATOM 592 O ILE A 38 5.655 -12.499 -4.120 1.00 0.00 O ATOM 593 CB ILE A 38 3.511 -11.097 -2.101 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.454 -11.211 -0.983 1.00 0.00 C ATOM 595 CG2 ILE A 38 2.983 -10.111 -3.178 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.499 -10.015 -0.034 1.00 0.00 C ATOM 0 H ILE A 38 5.685 -12.781 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 38 2.816 -13.043 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 38 4.463 -10.691 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.462 -11.285 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.620 -12.129 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.824 -9.131 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.713 -10.026 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.041 -10.483 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.739 -10.135 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.483 -9.956 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.307 -9.099 -0.593 1.00 0.00 H new ATOM 608 N LYS A 39 3.618 -12.583 -5.065 1.00 0.00 N ATOM 609 CA LYS A 39 4.106 -12.619 -6.430 1.00 0.00 C ATOM 610 C LYS A 39 5.059 -11.445 -6.626 1.00 0.00 C ATOM 611 O LYS A 39 4.663 -10.301 -6.376 1.00 0.00 O ATOM 612 CB LYS A 39 2.957 -12.615 -7.437 1.00 0.00 C ATOM 613 CG LYS A 39 2.448 -14.021 -7.788 1.00 0.00 C ATOM 614 CD LYS A 39 3.081 -14.593 -9.057 1.00 0.00 C ATOM 615 CE LYS A 39 2.498 -13.874 -10.284 1.00 0.00 C ATOM 616 NZ LYS A 39 2.852 -14.526 -11.556 1.00 0.00 N ATOM 0 H LYS A 39 2.601 -12.586 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 39 4.646 -13.549 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.132 -12.028 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.285 -12.117 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.652 -14.693 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.366 -13.988 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.163 -14.466 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.888 -15.664 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.413 -13.834 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.855 -12.844 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.431 -13.997 -12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.886 -14.542 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.489 -15.500 -11.560 1.00 0.00 H new ATOM 630 N GLN A 40 6.303 -11.691 -7.041 1.00 0.00 N ATOM 631 CA GLN A 40 7.200 -10.573 -7.314 1.00 0.00 C ATOM 632 C GLN A 40 6.632 -9.815 -8.516 1.00 0.00 C ATOM 633 O GLN A 40 5.940 -10.401 -9.354 1.00 0.00 O ATOM 634 CB GLN A 40 8.674 -10.997 -7.474 1.00 0.00 C ATOM 635 CG GLN A 40 9.612 -9.819 -7.142 1.00 0.00 C ATOM 636 CD GLN A 40 11.096 -10.167 -7.238 1.00 0.00 C ATOM 637 OE1 GLN A 40 11.617 -10.929 -6.434 1.00 0.00 O ATOM 638 NE2 GLN A 40 11.848 -9.560 -8.146 1.00 0.00 N ATOM 0 H GLN A 40 6.699 -12.619 -7.190 1.00 0.00 H new ATOM 0 HA GLN A 40 7.237 -9.904 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.890 -11.839 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.853 -11.336 -8.494 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.397 -8.993 -7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.395 -9.467 -6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.421 -8.924 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.854 -9.729 -8.171 1.00 0.00 H new ATOM 647 N GLY A 41 6.880 -8.512 -8.585 1.00 0.00 N ATOM 648 CA GLY A 41 6.207 -7.639 -9.531 1.00 0.00 C ATOM 649 C GLY A 41 4.937 -7.056 -8.925 1.00 0.00 C ATOM 650 O GLY A 41 4.603 -5.925 -9.266 1.00 0.00 O ATOM 0 H GLY A 41 7.553 -8.034 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.877 -6.832 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.961 -8.197 -10.435 1.00 0.00 H new ATOM 654 N LEU A 42 4.244 -7.746 -8.003 1.00 0.00 N ATOM 655 CA LEU A 42 3.078 -7.169 -7.368 1.00 0.00 C ATOM 656 C LEU A 42 3.467 -6.147 -6.308 1.00 0.00 C ATOM 657 O LEU A 42 2.818 -5.110 -6.265 1.00 0.00 O ATOM 658 CB LEU A 42 2.181 -8.218 -6.722 1.00 0.00 C ATOM 659 CG LEU A 42 1.613 -9.311 -7.636 1.00 0.00 C ATOM 660 CD1 LEU A 42 0.446 -9.962 -6.891 1.00 0.00 C ATOM 661 CD2 LEU A 42 1.101 -8.856 -9.001 1.00 0.00 C ATOM 0 H LEU A 42 4.477 -8.689 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 42 2.523 -6.680 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.747 -8.703 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.344 -7.703 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 42 2.446 -9.980 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.013 -10.748 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.806 -10.393 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.313 -9.210 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.725 -9.717 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.297 -8.133 -8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.915 -8.393 -9.559 1.00 0.00 H new ATOM 673 N LEU A 43 4.419 -6.445 -5.412 1.00 0.00 N ATOM 674 CA LEU A 43 4.588 -5.658 -4.188 1.00 0.00 C ATOM 675 C LEU A 43 5.438 -4.434 -4.515 1.00 0.00 C ATOM 676 O LEU A 43 6.632 -4.583 -4.783 1.00 0.00 O ATOM 677 CB LEU A 43 5.193 -6.475 -3.025 1.00 0.00 C ATOM 678 CG LEU A 43 4.685 -6.095 -1.607 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.296 -4.626 -1.383 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.497 -6.977 -1.218 1.00 0.00 C ATOM 0 H LEU A 43 5.077 -7.218 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 43 3.604 -5.347 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.982 -7.530 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.277 -6.359 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 43 5.555 -6.262 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.959 -4.492 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.161 -3.988 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.492 -4.354 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.150 -6.701 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.689 -6.836 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.805 -8.023 -1.218 1.00 0.00 H new ATOM 692 N GLU A 44 4.847 -3.240 -4.560 1.00 0.00 N ATOM 693 CA GLU A 44 5.556 -2.041 -4.969 1.00 0.00 C ATOM 694 C GLU A 44 5.342 -0.923 -3.953 1.00 0.00 C ATOM 695 O GLU A 44 4.238 -0.406 -3.782 1.00 0.00 O ATOM 696 CB GLU A 44 5.157 -1.679 -6.401 1.00 0.00 C ATOM 697 CG GLU A 44 6.257 -0.811 -7.022 1.00 0.00 C ATOM 698 CD GLU A 44 6.060 -0.581 -8.518 1.00 0.00 C ATOM 699 OE1 GLU A 44 5.527 -1.466 -9.225 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.490 0.490 -9.004 1.00 0.00 O ATOM 0 H GLU A 44 3.869 -3.083 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 44 6.632 -2.215 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.013 -2.584 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.208 -1.143 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.284 0.152 -6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.224 -1.286 -6.857 1.00 0.00 H new ATOM 707 N PHE A 45 6.414 -0.573 -3.245 1.00 0.00 N ATOM 708 CA PHE A 45 6.438 0.503 -2.268 1.00 0.00 C ATOM 709 C PHE A 45 6.681 1.804 -3.040 1.00 0.00 C ATOM 710 O PHE A 45 7.794 2.041 -3.520 1.00 0.00 O ATOM 711 CB PHE A 45 7.518 0.189 -1.217 1.00 0.00 C ATOM 712 CG PHE A 45 7.383 -1.186 -0.577 1.00 0.00 C ATOM 713 CD1 PHE A 45 6.187 -1.540 0.075 1.00 0.00 C ATOM 714 CD2 PHE A 45 8.432 -2.124 -0.655 1.00 0.00 C ATOM 715 CE1 PHE A 45 6.040 -2.811 0.660 1.00 0.00 C ATOM 716 CE2 PHE A 45 8.281 -3.402 -0.085 1.00 0.00 C ATOM 717 CZ PHE A 45 7.086 -3.746 0.572 1.00 0.00 C ATOM 0 H PHE A 45 7.313 -1.046 -3.341 1.00 0.00 H new ATOM 0 HA PHE A 45 5.501 0.609 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.499 0.265 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.480 0.947 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.375 -0.830 0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.354 -1.862 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.126 -3.068 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.085 -4.120 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.972 -4.727 1.008 1.00 0.00 H new ATOM 727 N VAL A 46 5.634 2.597 -3.255 1.00 0.00 N ATOM 728 CA VAL A 46 5.625 3.787 -4.096 1.00 0.00 C ATOM 729 C VAL A 46 5.767 4.996 -3.185 1.00 0.00 C ATOM 730 O VAL A 46 4.950 5.191 -2.285 1.00 0.00 O ATOM 731 CB VAL A 46 4.322 3.850 -4.908 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.320 5.088 -5.813 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.146 2.612 -5.791 1.00 0.00 C ATOM 0 H VAL A 46 4.726 2.417 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 46 6.449 3.765 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 46 3.502 3.898 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.391 5.121 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.402 5.986 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.165 5.038 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.214 2.693 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.981 2.540 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.118 1.720 -5.165 1.00 0.00 H new ATOM 743 N ASP A 47 6.804 5.800 -3.391 1.00 0.00 N ATOM 744 CA ASP A 47 7.128 6.848 -2.441 1.00 0.00 C ATOM 745 C ASP A 47 6.425 8.165 -2.792 1.00 0.00 C ATOM 746 O ASP A 47 6.435 8.571 -3.957 1.00 0.00 O ATOM 747 CB ASP A 47 8.636 7.025 -2.368 1.00 0.00 C ATOM 748 CG ASP A 47 8.938 7.729 -1.061 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.631 8.936 -0.958 1.00 0.00 O ATOM 750 OD2 ASP A 47 9.416 7.033 -0.142 1.00 0.00 O ATOM 0 H ASP A 47 7.426 5.745 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 47 6.763 6.550 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.140 6.059 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.997 7.611 -3.214 1.00 0.00 H new ATOM 755 N ILE A 48 5.814 8.831 -1.811 1.00 0.00 N ATOM 756 CA ILE A 48 5.043 10.068 -1.964 1.00 0.00 C ATOM 757 C ILE A 48 5.889 11.343 -1.858 1.00 0.00 C ATOM 758 O ILE A 48 5.372 12.429 -2.101 1.00 0.00 O ATOM 759 CB ILE A 48 3.900 10.110 -0.923 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.414 10.252 0.531 1.00 0.00 C ATOM 761 CG2 ILE A 48 2.997 8.875 -1.114 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.304 10.420 1.563 1.00 0.00 C ATOM 0 H ILE A 48 5.844 8.509 -0.844 1.00 0.00 H new ATOM 0 HA ILE A 48 4.638 10.051 -2.976 1.00 0.00 H new ATOM 0 HB ILE A 48 3.308 11.009 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.004 9.371 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.083 11.111 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.189 8.899 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.577 8.884 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.586 7.969 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.742 10.513 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.728 11.317 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.647 9.550 1.536 1.00 0.00 H new ATOM 774 N THR A 49 7.139 11.255 -1.409 1.00 0.00 N ATOM 775 CA THR A 49 7.942 12.407 -0.998 1.00 0.00 C ATOM 776 C THR A 49 9.408 12.241 -1.435 1.00 0.00 C ATOM 777 O THR A 49 10.239 13.125 -1.206 1.00 0.00 O ATOM 778 CB THR A 49 7.707 12.624 0.511 1.00 0.00 C ATOM 779 OG1 THR A 49 8.102 13.894 0.972 1.00 0.00 O ATOM 780 CG2 THR A 49 8.356 11.560 1.384 1.00 0.00 C ATOM 0 H THR A 49 7.632 10.367 -1.319 1.00 0.00 H new ATOM 0 HA THR A 49 7.636 13.325 -1.501 1.00 0.00 H new ATOM 0 HB THR A 49 6.624 12.546 0.608 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.924 13.963 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.151 11.775 2.433 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.950 10.582 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.433 11.560 1.218 1.00 0.00 H new ATOM 788 N ALA A 50 9.733 11.156 -2.150 1.00 0.00 N ATOM 789 CA ALA A 50 11.016 10.947 -2.802 1.00 0.00 C ATOM 790 C ALA A 50 11.372 12.092 -3.756 1.00 0.00 C ATOM 791 O ALA A 50 12.557 12.301 -4.029 1.00 0.00 O ATOM 792 CB ALA A 50 11.029 9.610 -3.542 1.00 0.00 C ATOM 0 H ALA A 50 9.085 10.381 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 50 11.776 10.928 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.997 9.470 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.856 8.800 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.243 9.605 -4.297 1.00 0.00 H new ATOM 798 N THR A 51 10.377 12.860 -4.210 1.00 0.00 N ATOM 799 CA THR A 51 10.591 14.180 -4.772 1.00 0.00 C ATOM 800 C THR A 51 9.769 15.200 -3.977 1.00 0.00 C ATOM 801 O THR A 51 10.333 15.920 -3.149 1.00 0.00 O ATOM 802 CB THR A 51 10.361 14.183 -6.294 1.00 0.00 C ATOM 803 OG1 THR A 51 9.033 13.885 -6.677 1.00 0.00 O ATOM 804 CG2 THR A 51 11.275 13.186 -7.015 1.00 0.00 C ATOM 0 H THR A 51 9.398 12.574 -4.194 1.00 0.00 H new ATOM 0 HA THR A 51 11.633 14.483 -4.669 1.00 0.00 H new ATOM 0 HB THR A 51 10.591 15.207 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.962 13.907 -7.654 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.079 13.222 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.317 13.447 -6.828 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.080 12.180 -6.644 1.00 0.00 H new ATOM 812 N ASN A 52 8.456 15.288 -4.208 1.00 0.00 N ATOM 813 CA ASN A 52 7.573 16.329 -3.674 1.00 0.00 C ATOM 814 C ASN A 52 6.111 15.860 -3.794 1.00 0.00 C ATOM 815 O ASN A 52 5.882 14.672 -3.996 1.00 0.00 O ATOM 816 CB ASN A 52 7.828 17.634 -4.452 1.00 0.00 C ATOM 817 CG ASN A 52 7.407 18.888 -3.699 1.00 0.00 C ATOM 818 OD1 ASN A 52 6.714 18.830 -2.687 1.00 0.00 O ATOM 819 ND2 ASN A 52 7.820 20.038 -4.190 1.00 0.00 N ATOM 0 H ASN A 52 7.962 14.613 -4.792 1.00 0.00 H new ATOM 0 HA ASN A 52 7.775 16.516 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.889 17.703 -4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.291 17.592 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.565 20.911 -3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.395 20.056 -5.032 1.00 0.00 H new ATOM 826 N HIS A 53 5.125 16.758 -3.692 1.00 0.00 N ATOM 827 CA HIS A 53 3.690 16.519 -3.862 1.00 0.00 C ATOM 828 C HIS A 53 3.046 15.602 -2.822 1.00 0.00 C ATOM 829 O HIS A 53 1.873 15.299 -2.994 1.00 0.00 O ATOM 830 CB HIS A 53 3.336 16.138 -5.314 1.00 0.00 C ATOM 831 CG HIS A 53 3.338 17.301 -6.273 1.00 0.00 C ATOM 832 ND1 HIS A 53 4.127 17.422 -7.391 1.00 0.00 N ATOM 833 CD2 HIS A 53 2.467 18.359 -6.267 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.735 18.519 -8.055 1.00 0.00 C ATOM 835 NE2 HIS A 53 2.730 19.132 -7.405 1.00 0.00 N ATOM 0 H HIS A 53 5.323 17.735 -3.474 1.00 0.00 H new ATOM 0 HA HIS A 53 3.226 17.484 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.046 15.390 -5.666 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.351 15.672 -5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.714 18.560 -5.520 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.167 18.863 -8.983 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.254 19.989 -7.685 1.00 0.00 H new ATOM 843 N THR A 54 3.717 15.201 -1.737 1.00 0.00 N ATOM 844 CA THR A 54 3.172 14.244 -0.764 1.00 0.00 C ATOM 845 C THR A 54 1.780 14.671 -0.330 1.00 0.00 C ATOM 846 O THR A 54 0.834 13.913 -0.477 1.00 0.00 O ATOM 847 CB THR A 54 4.078 13.981 0.449 1.00 0.00 C ATOM 848 OG1 THR A 54 3.389 13.718 1.659 1.00 0.00 O ATOM 849 CG2 THR A 54 5.005 15.128 0.779 1.00 0.00 C ATOM 0 H THR A 54 4.655 15.530 -1.507 1.00 0.00 H new ATOM 0 HA THR A 54 3.116 13.287 -1.283 1.00 0.00 H new ATOM 0 HB THR A 54 4.625 13.100 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.037 13.561 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.612 14.867 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.655 15.327 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.417 16.018 1.002 1.00 0.00 H new ATOM 857 N ASN A 55 1.682 15.831 0.315 1.00 0.00 N ATOM 858 CA ASN A 55 0.412 16.288 0.871 1.00 0.00 C ATOM 859 C ASN A 55 -0.676 16.352 -0.202 1.00 0.00 C ATOM 860 O ASN A 55 -1.788 15.901 0.035 1.00 0.00 O ATOM 861 CB ASN A 55 0.536 17.620 1.622 1.00 0.00 C ATOM 862 CG ASN A 55 0.251 17.414 3.103 1.00 0.00 C ATOM 863 OD1 ASN A 55 -0.784 16.882 3.496 1.00 0.00 O ATOM 864 ND2 ASN A 55 1.177 17.763 3.973 1.00 0.00 N ATOM 0 H ASN A 55 2.464 16.469 0.465 1.00 0.00 H new ATOM 0 HA ASN A 55 0.114 15.544 1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.538 18.029 1.490 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.162 18.347 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.033 17.591 4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.038 18.205 3.651 1.00 0.00 H new ATOM 871 N GLU A 56 -0.345 16.834 -1.400 1.00 0.00 N ATOM 872 CA GLU A 56 -1.209 16.851 -2.571 1.00 0.00 C ATOM 873 C GLU A 56 -1.698 15.439 -2.936 1.00 0.00 C ATOM 874 O GLU A 56 -2.893 15.199 -3.128 1.00 0.00 O ATOM 875 CB GLU A 56 -0.386 17.503 -3.703 1.00 0.00 C ATOM 876 CG GLU A 56 -1.149 18.582 -4.470 1.00 0.00 C ATOM 877 CD GLU A 56 -1.501 18.132 -5.887 1.00 0.00 C ATOM 878 OE1 GLU A 56 -2.117 17.058 -6.062 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.144 18.835 -6.854 1.00 0.00 O ATOM 0 H GLU A 56 0.573 17.240 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.119 17.422 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.517 17.941 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.067 16.729 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.063 18.833 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.547 19.489 -4.516 1.00 0.00 H new ATOM 886 N ILE A 57 -0.772 14.483 -3.007 1.00 0.00 N ATOM 887 CA ILE A 57 -1.012 13.067 -3.241 1.00 0.00 C ATOM 888 C ILE A 57 -1.939 12.541 -2.137 1.00 0.00 C ATOM 889 O ILE A 57 -2.805 11.711 -2.417 1.00 0.00 O ATOM 890 CB ILE A 57 0.363 12.333 -3.289 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.998 12.435 -4.693 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.266 10.857 -2.863 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.526 12.311 -4.669 1.00 0.00 C ATOM 0 H ILE A 57 0.220 14.692 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.509 12.888 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 57 1.003 12.840 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.585 11.653 -5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.723 13.390 -5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.253 10.397 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.108 10.797 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.416 10.330 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.913 12.390 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.946 13.109 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.806 11.345 -4.248 1.00 0.00 H new ATOM 905 N GLN A 58 -1.741 12.986 -0.896 1.00 0.00 N ATOM 906 CA GLN A 58 -2.288 12.361 0.292 1.00 0.00 C ATOM 907 C GLN A 58 -3.746 12.811 0.429 1.00 0.00 C ATOM 908 O GLN A 58 -4.612 12.005 0.762 1.00 0.00 O ATOM 909 CB GLN A 58 -1.479 12.826 1.525 1.00 0.00 C ATOM 910 CG GLN A 58 -0.296 11.927 1.937 1.00 0.00 C ATOM 911 CD GLN A 58 -0.492 10.451 1.611 1.00 0.00 C ATOM 912 OE1 GLN A 58 0.235 9.874 0.820 1.00 0.00 O ATOM 913 NE2 GLN A 58 -1.506 9.806 2.148 1.00 0.00 N ATOM 0 H GLN A 58 -1.180 13.813 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.234 11.275 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.097 13.827 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.160 12.907 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.606 12.281 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.130 12.032 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.119 10.281 2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.679 8.831 1.902 1.00 0.00 H new ATOM 922 N ASP A 59 -4.013 14.087 0.145 1.00 0.00 N ATOM 923 CA ASP A 59 -5.331 14.716 0.134 1.00 0.00 C ATOM 924 C ASP A 59 -6.225 13.973 -0.854 1.00 0.00 C ATOM 925 O ASP A 59 -7.265 13.421 -0.491 1.00 0.00 O ATOM 926 CB ASP A 59 -5.164 16.194 -0.267 1.00 0.00 C ATOM 927 CG ASP A 59 -6.221 17.144 0.293 1.00 0.00 C ATOM 928 OD1 ASP A 59 -7.261 16.700 0.824 1.00 0.00 O ATOM 929 OD2 ASP A 59 -5.964 18.376 0.243 1.00 0.00 O ATOM 0 H ASP A 59 -3.272 14.745 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.796 14.670 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.182 16.534 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.177 16.262 -1.355 1.00 0.00 H new ATOM 934 N TYR A 60 -5.731 13.852 -2.090 1.00 0.00 N ATOM 935 CA TYR A 60 -6.327 13.049 -3.152 1.00 0.00 C ATOM 936 C TYR A 60 -6.550 11.624 -2.663 1.00 0.00 C ATOM 937 O TYR A 60 -7.633 11.079 -2.864 1.00 0.00 O ATOM 938 CB TYR A 60 -5.401 13.077 -4.379 1.00 0.00 C ATOM 939 CG TYR A 60 -5.936 12.537 -5.701 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.479 11.241 -5.844 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.778 13.328 -6.851 1.00 0.00 C ATOM 942 CE1 TYR A 60 -6.932 10.783 -7.098 1.00 0.00 C ATOM 943 CE2 TYR A 60 -6.189 12.862 -8.108 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.823 11.612 -8.235 1.00 0.00 C ATOM 945 OH TYR A 60 -7.238 11.186 -9.457 1.00 0.00 O ATOM 0 H TYR A 60 -4.878 14.327 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.296 13.460 -3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.095 14.111 -4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.502 12.514 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.548 10.593 -4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.334 14.309 -6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.363 9.797 -7.189 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.018 13.467 -8.986 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.085 11.892 -10.119 1.00 0.00 H new ATOM 955 N LEU A 61 -5.533 10.993 -2.063 1.00 0.00 N ATOM 956 CA LEU A 61 -5.603 9.617 -1.576 1.00 0.00 C ATOM 957 C LEU A 61 -6.737 9.438 -0.573 1.00 0.00 C ATOM 958 O LEU A 61 -7.290 8.340 -0.535 1.00 0.00 O ATOM 959 CB LEU A 61 -4.271 9.150 -0.955 1.00 0.00 C ATOM 960 CG LEU A 61 -3.308 8.452 -1.930 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.910 8.330 -1.317 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.803 7.037 -2.242 1.00 0.00 C ATOM 0 H LEU A 61 -4.627 11.433 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.804 8.993 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.765 10.015 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.490 8.468 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.268 9.053 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.245 7.833 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.523 9.324 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.965 7.746 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.112 6.554 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.857 6.459 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.793 7.090 -2.696 1.00 0.00 H new ATOM 974 N GLN A 62 -7.126 10.464 0.190 1.00 0.00 N ATOM 975 CA GLN A 62 -8.317 10.387 1.022 1.00 0.00 C ATOM 976 C GLN A 62 -9.525 10.128 0.139 1.00 0.00 C ATOM 977 O GLN A 62 -10.179 9.104 0.295 1.00 0.00 O ATOM 978 CB GLN A 62 -8.523 11.654 1.857 1.00 0.00 C ATOM 979 CG GLN A 62 -9.509 11.379 3.000 1.00 0.00 C ATOM 980 CD GLN A 62 -9.682 12.605 3.881 1.00 0.00 C ATOM 981 OE1 GLN A 62 -9.030 12.725 4.914 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.505 13.558 3.477 1.00 0.00 N ATOM 0 H GLN A 62 -6.630 11.354 0.245 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.188 9.565 1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.569 11.990 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.902 12.457 1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.474 11.084 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.150 10.543 3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.038 13.440 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.606 14.411 4.027 1.00 0.00 H new ATOM 991 N GLN A 63 -9.800 11.027 -0.799 1.00 0.00 N ATOM 992 CA GLN A 63 -10.979 10.956 -1.644 1.00 0.00 C ATOM 993 C GLN A 63 -10.972 9.685 -2.501 1.00 0.00 C ATOM 994 O GLN A 63 -12.016 9.079 -2.749 1.00 0.00 O ATOM 995 CB GLN A 63 -11.036 12.246 -2.487 1.00 0.00 C ATOM 996 CG GLN A 63 -12.454 12.838 -2.547 1.00 0.00 C ATOM 997 CD GLN A 63 -12.989 13.274 -1.180 1.00 0.00 C ATOM 998 OE1 GLN A 63 -12.273 13.322 -0.180 1.00 0.00 O ATOM 999 NE2 GLN A 63 -14.266 13.594 -1.107 1.00 0.00 N ATOM 0 H GLN A 63 -9.204 11.831 -0.994 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.882 10.891 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.353 12.984 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.690 12.033 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.453 13.696 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.131 12.098 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.851 13.551 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.669 13.885 -0.216 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.787 9.280 -2.959 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.575 8.112 -3.810 1.00 0.00 C ATOM 1010 C LEU A 64 -9.683 6.816 -2.981 1.00 0.00 C ATOM 1011 O LEU A 64 -9.956 5.772 -3.567 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.229 8.301 -4.554 1.00 0.00 C ATOM 1013 CG LEU A 64 -7.450 7.087 -5.103 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -8.137 6.524 -6.354 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.025 7.506 -5.523 1.00 0.00 C ATOM 0 H LEU A 64 -8.921 9.773 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.351 8.015 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.420 8.966 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.560 8.830 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.418 6.339 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.572 5.669 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.150 6.209 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.178 7.294 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.489 6.638 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.084 8.269 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.494 7.907 -4.659 1.00 0.00 H new ATOM 1027 N THR A 65 -9.539 6.841 -1.645 1.00 0.00 N ATOM 1028 CA THR A 65 -9.663 5.648 -0.806 1.00 0.00 C ATOM 1029 C THR A 65 -10.686 5.822 0.326 1.00 0.00 C ATOM 1030 O THR A 65 -11.805 5.320 0.208 1.00 0.00 O ATOM 1031 CB THR A 65 -8.275 5.183 -0.317 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.643 6.037 0.620 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.298 5.057 -1.474 1.00 0.00 C ATOM 0 H THR A 65 -9.333 7.692 -1.121 1.00 0.00 H new ATOM 0 HA THR A 65 -10.070 4.846 -1.421 1.00 0.00 H new ATOM 0 HB THR A 65 -8.495 4.231 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.437 6.895 0.194 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.329 4.728 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.676 4.328 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.187 6.024 -1.964 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.329 6.551 1.386 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.111 6.767 2.597 1.00 0.00 C ATOM 1043 C GLY A 66 -10.293 7.318 3.772 1.00 0.00 C ATOM 1044 O GLY A 66 -10.871 7.647 4.812 1.00 0.00 O ATOM 0 H GLY A 66 -9.431 7.034 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.923 7.460 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.569 5.824 2.896 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.963 7.421 3.660 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.114 8.088 4.643 1.00 0.00 C ATOM 1050 C ALA A 67 -6.892 8.671 3.934 1.00 0.00 C ATOM 1051 O ALA A 67 -6.457 8.134 2.915 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.671 7.096 5.725 1.00 0.00 C ATOM 0 H ALA A 67 -8.443 7.036 2.871 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.677 8.889 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.039 7.608 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.549 6.692 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.110 6.282 5.265 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.316 9.738 4.489 1.00 0.00 N ATOM 1059 CA ARG A 68 -5.073 10.341 4.010 1.00 0.00 C ATOM 1060 C ARG A 68 -3.869 9.864 4.805 1.00 0.00 C ATOM 1061 O ARG A 68 -2.759 10.292 4.503 1.00 0.00 O ATOM 1062 CB ARG A 68 -5.164 11.876 4.045 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.851 12.525 5.400 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.484 13.920 5.407 1.00 0.00 C ATOM 1065 NE ARG A 68 -5.328 14.631 6.683 1.00 0.00 N ATOM 1066 CZ ARG A 68 -5.916 14.321 7.844 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -6.667 13.235 7.981 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -5.732 15.111 8.887 1.00 0.00 N ATOM 0 H ARG A 68 -6.709 10.216 5.300 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.935 10.020 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.478 12.280 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.170 12.170 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.250 11.920 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.774 12.593 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.037 14.516 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.546 13.829 5.179 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.710 15.442 6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.809 12.610 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.102 13.026 8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.149 15.943 8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.173 14.889 9.779 1.00 0.00 H new ATOM 1082 N THR A 69 -4.041 9.048 5.841 1.00 0.00 N ATOM 1083 CA THR A 69 -2.893 8.570 6.586 1.00 0.00 C ATOM 1084 C THR A 69 -2.131 7.603 5.676 1.00 0.00 C ATOM 1085 O THR A 69 -2.755 6.826 4.949 1.00 0.00 O ATOM 1086 CB THR A 69 -3.354 7.917 7.894 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.282 6.868 7.681 1.00 0.00 O ATOM 1088 CG2 THR A 69 -4.064 8.934 8.791 1.00 0.00 C ATOM 0 H THR A 69 -4.945 8.713 6.174 1.00 0.00 H new ATOM 0 HA THR A 69 -2.227 9.385 6.871 1.00 0.00 H new ATOM 0 HB THR A 69 -2.447 7.529 8.357 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.544 6.483 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.382 8.447 9.713 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.381 9.749 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.936 9.331 8.271 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.804 7.632 5.723 1.00 0.00 N ATOM 1097 CA VAL A 70 0.087 6.629 5.156 1.00 0.00 C ATOM 1098 C VAL A 70 0.605 5.728 6.285 1.00 0.00 C ATOM 1099 O VAL A 70 0.558 6.153 7.446 1.00 0.00 O ATOM 1100 CB VAL A 70 1.224 7.307 4.358 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.795 7.292 2.897 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.523 8.766 4.766 1.00 0.00 C ATOM 0 H VAL A 70 -0.298 8.391 6.179 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.451 6.000 4.447 1.00 0.00 H new ATOM 0 HB VAL A 70 2.142 6.754 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.566 7.761 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.651 6.262 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.140 7.842 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.334 9.157 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.631 9.375 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.815 8.798 5.816 1.00 0.00 H new ATOM 1112 N PRO A 71 1.065 4.491 6.010 1.00 0.00 N ATOM 1113 CA PRO A 71 1.055 3.799 4.714 1.00 0.00 C ATOM 1114 C PRO A 71 -0.373 3.567 4.202 1.00 0.00 C ATOM 1115 O PRO A 71 -1.322 3.646 4.987 1.00 0.00 O ATOM 1116 CB PRO A 71 1.755 2.457 4.973 1.00 0.00 C ATOM 1117 CG PRO A 71 1.539 2.210 6.462 1.00 0.00 C ATOM 1118 CD PRO A 71 1.571 3.612 7.049 1.00 0.00 C ATOM 0 HA PRO A 71 1.555 4.391 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.324 1.659 4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.816 2.506 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.588 1.713 6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.320 1.578 6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.956 3.674 7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.584 3.891 7.338 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.532 3.295 2.900 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.819 2.974 2.268 1.00 0.00 C ATOM 1128 C ARG A 72 -1.632 1.741 1.406 1.00 0.00 C ATOM 1129 O ARG A 72 -1.117 1.870 0.296 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.358 4.150 1.423 1.00 0.00 C ATOM 1131 CG ARG A 72 -2.554 5.410 2.271 1.00 0.00 C ATOM 1132 CD ARG A 72 -3.762 6.287 1.919 1.00 0.00 C ATOM 1133 NE ARG A 72 -5.056 5.598 2.042 1.00 0.00 N ATOM 1134 CZ ARG A 72 -5.614 5.046 3.129 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -4.999 5.013 4.309 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -6.827 4.525 3.001 1.00 0.00 N ATOM 0 H ARG A 72 0.248 3.292 2.242 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.558 2.785 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.664 4.362 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.307 3.866 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.643 5.109 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.654 6.020 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.765 7.162 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.650 6.649 0.897 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.603 5.531 1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.068 5.417 4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.459 4.583 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.302 4.553 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.285 4.096 3.805 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.981 0.559 1.914 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.891 -0.667 1.132 1.00 0.00 C ATOM 1152 C VAL A 73 -3.040 -0.679 0.135 1.00 0.00 C ATOM 1153 O VAL A 73 -4.211 -0.662 0.519 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.891 -1.913 2.034 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -2.008 -3.207 1.205 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.604 -1.940 2.868 1.00 0.00 C ATOM 0 H VAL A 73 -2.328 0.428 2.864 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.945 -0.694 0.591 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.757 -1.859 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.005 -4.068 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.938 -3.192 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.164 -3.277 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.603 -2.823 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.259 -1.973 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.552 -1.044 3.486 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.690 -0.745 -1.142 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.575 -1.024 -2.247 1.00 0.00 C ATOM 1168 C PHE A 74 -3.327 -2.461 -2.674 1.00 0.00 C ATOM 1169 O PHE A 74 -2.403 -2.731 -3.443 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.331 -0.067 -3.419 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.088 1.239 -3.371 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -3.699 2.245 -2.470 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.130 1.479 -4.288 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -4.300 3.511 -2.543 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.716 2.752 -4.374 1.00 0.00 C ATOM 1176 CZ PHE A 74 -5.270 3.777 -3.526 1.00 0.00 C ATOM 0 H PHE A 74 -1.727 -0.596 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.610 -0.882 -1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.265 0.155 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.591 -0.582 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.942 2.045 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.479 0.681 -4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.017 4.283 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.504 2.941 -5.088 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.673 4.774 -3.628 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.146 -3.389 -2.189 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.252 -4.688 -2.827 1.00 0.00 C ATOM 1188 C ILE A 75 -5.263 -4.451 -3.957 1.00 0.00 C ATOM 1189 O ILE A 75 -6.418 -4.126 -3.701 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.634 -5.793 -1.810 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.429 -6.600 -1.272 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.580 -6.827 -2.447 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.358 -5.878 -0.471 1.00 0.00 C ATOM 0 H ILE A 75 -4.737 -3.265 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.314 -5.067 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.101 -5.248 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.822 -7.402 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.941 -7.071 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.832 -7.591 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.491 -6.330 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.088 -7.293 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.588 -6.588 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.911 -5.095 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.806 -5.432 0.417 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.795 -4.604 -5.195 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.588 -4.787 -6.407 1.00 0.00 C ATOM 1207 C GLY A 76 -6.770 -3.833 -6.566 1.00 0.00 C ATOM 1208 O GLY A 76 -7.896 -4.200 -6.250 1.00 0.00 O ATOM 0 H GLY A 76 -3.794 -4.603 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.932 -4.674 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.964 -5.810 -6.424 1.00 0.00 H new ATOM 1212 N LYS A 77 -6.537 -2.663 -7.166 1.00 0.00 N ATOM 1213 CA LYS A 77 -7.376 -1.475 -7.335 1.00 0.00 C ATOM 1214 C LYS A 77 -8.119 -0.956 -6.103 1.00 0.00 C ATOM 1215 O LYS A 77 -8.571 0.190 -6.151 1.00 0.00 O ATOM 1216 CB LYS A 77 -8.375 -1.724 -8.472 1.00 0.00 C ATOM 1217 CG LYS A 77 -7.804 -1.450 -9.867 1.00 0.00 C ATOM 1218 CD LYS A 77 -8.888 -1.547 -10.951 1.00 0.00 C ATOM 1219 CE LYS A 77 -9.530 -0.182 -11.217 1.00 0.00 C ATOM 1220 NZ LYS A 77 -8.705 0.640 -12.127 1.00 0.00 N ATOM 0 H LYS A 77 -5.629 -2.508 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.667 -0.678 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.714 -2.759 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.251 -1.094 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.355 -0.457 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.009 -2.164 -10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.451 -1.932 -11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.654 -2.258 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.520 -0.323 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.668 0.346 -10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.170 1.557 -12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.769 0.795 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.595 0.147 -13.036 1.00 0.00 H new ATOM 1234 N ASP A 78 -8.188 -1.708 -5.020 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.795 -1.270 -3.773 1.00 0.00 C ATOM 1236 C ASP A 78 -7.699 -0.811 -2.815 1.00 0.00 C ATOM 1237 O ASP A 78 -6.525 -1.088 -3.055 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.609 -2.424 -3.182 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.404 -1.990 -1.957 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.834 -0.817 -1.889 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -10.653 -2.846 -1.082 1.00 0.00 O ATOM 0 H ASP A 78 -7.818 -2.658 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.467 -0.430 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.291 -2.812 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.938 -3.239 -2.909 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.062 -0.144 -1.719 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.190 0.180 -0.604 1.00 0.00 C ATOM 1248 C CYS A 79 -7.777 -0.467 0.643 1.00 0.00 C ATOM 1249 O CYS A 79 -8.948 -0.251 0.960 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.042 1.698 -0.483 1.00 0.00 C ATOM 1251 SG CYS A 79 -5.669 2.133 0.623 1.00 0.00 S ATOM 0 H CYS A 79 -9.014 0.197 -1.584 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.183 -0.210 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.870 2.130 -1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -7.969 2.128 -0.104 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.893 1.102 0.777 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.983 -1.270 1.349 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.502 -2.190 2.354 1.00 0.00 C ATOM 1259 C ILE A 80 -7.711 -1.488 3.694 1.00 0.00 C ATOM 1260 O ILE A 80 -8.495 -1.946 4.525 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.574 -3.424 2.445 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -5.248 -3.150 3.177 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.241 -3.979 1.050 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -5.360 -3.339 4.691 1.00 0.00 C ATOM 0 H ILE A 80 -5.969 -1.300 1.240 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.489 -2.543 2.056 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.140 -4.152 3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.478 -3.816 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.924 -2.131 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.587 -4.845 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.162 -4.275 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.738 -3.210 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.396 -3.133 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.109 -2.654 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.655 -4.365 4.909 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.993 -0.393 3.915 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.720 0.153 5.222 1.00 0.00 C ATOM 1278 C GLY A 81 -5.273 0.627 5.225 1.00 0.00 C ATOM 1279 O GLY A 81 -4.549 0.481 4.231 1.00 0.00 O ATOM 0 H GLY A 81 -6.575 0.150 3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.395 0.980 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.879 -0.601 5.993 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.863 1.218 6.341 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.620 1.953 6.417 1.00 0.00 C ATOM 1285 C GLY A 82 -2.556 1.178 7.171 1.00 0.00 C ATOM 1286 O GLY A 82 -1.733 0.505 6.556 1.00 0.00 O ATOM 0 H GLY A 82 -5.388 1.197 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.265 2.173 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.792 2.909 6.911 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.572 1.279 8.502 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.550 0.726 9.377 1.00 0.00 C ATOM 1292 C CYS A 83 -2.190 -0.169 10.439 1.00 0.00 C ATOM 1293 O CYS A 83 -1.968 -1.372 10.397 1.00 0.00 O ATOM 1294 CB CYS A 83 -0.689 1.858 9.953 1.00 0.00 C ATOM 1295 SG CYS A 83 1.019 1.282 10.158 1.00 0.00 S ATOM 0 H CYS A 83 -3.316 1.760 9.008 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.875 0.084 8.812 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -0.715 2.722 9.289 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -1.092 2.182 10.913 1.00 0.00 H new ATOM 0 HG CYS A 83 1.745 1.718 9.172 1.00 0.00 H new ATOM 1301 N SER A 84 -3.024 0.363 11.341 1.00 0.00 N ATOM 1302 CA SER A 84 -3.734 -0.450 12.338 1.00 0.00 C ATOM 1303 C SER A 84 -4.495 -1.597 11.674 1.00 0.00 C ATOM 1304 O SER A 84 -4.395 -2.754 12.086 1.00 0.00 O ATOM 1305 CB SER A 84 -4.754 0.426 13.073 1.00 0.00 C ATOM 1306 OG SER A 84 -4.245 0.912 14.290 1.00 0.00 O ATOM 0 H SER A 84 -3.225 1.361 11.401 1.00 0.00 H new ATOM 0 HA SER A 84 -2.994 -0.857 13.027 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.038 1.265 12.437 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.659 -0.151 13.262 1.00 0.00 H new ATOM 0 HG SER A 84 -4.922 1.467 14.729 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.260 -1.238 10.648 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.184 -2.096 9.927 1.00 0.00 C ATOM 1314 C ASP A 85 -5.357 -3.119 9.142 1.00 0.00 C ATOM 1315 O ASP A 85 -5.738 -4.275 9.011 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.942 -1.204 8.921 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.809 -0.115 9.567 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -7.211 0.807 10.177 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -9.038 -0.079 9.367 1.00 0.00 O ATOM 0 H ASP A 85 -5.249 -0.287 10.280 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.875 -2.602 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.219 -0.730 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.577 -1.836 8.300 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.205 -2.696 8.616 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.289 -3.545 7.870 1.00 0.00 C ATOM 1326 C LEU A 86 -2.666 -4.587 8.798 1.00 0.00 C ATOM 1327 O LEU A 86 -2.542 -5.749 8.412 1.00 0.00 O ATOM 1328 CB LEU A 86 -2.254 -2.639 7.180 1.00 0.00 C ATOM 1329 CG LEU A 86 -1.223 -3.296 6.247 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -0.047 -3.945 6.977 1.00 0.00 C ATOM 1331 CD2 LEU A 86 -1.854 -4.293 5.267 1.00 0.00 C ATOM 0 H LEU A 86 -3.881 -1.733 8.702 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.808 -4.110 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.798 -1.892 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.707 -2.105 7.957 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.820 -2.462 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.635 -4.386 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.482 -3.190 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.418 -4.723 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.077 -4.724 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.350 -5.087 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.584 -3.777 4.643 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.302 -4.204 10.024 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.777 -5.096 11.022 1.00 0.00 C ATOM 1345 C VAL A 87 -2.837 -6.140 11.378 1.00 0.00 C ATOM 1346 O VAL A 87 -2.464 -7.307 11.397 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.277 -4.248 12.202 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -0.952 -5.122 13.404 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.016 -3.450 11.831 1.00 0.00 C ATOM 0 H VAL A 87 -2.372 -3.238 10.343 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.921 -5.668 10.664 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.083 -3.557 12.451 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.601 -4.496 14.224 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.847 -5.660 13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.175 -5.837 13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.308 -2.862 12.690 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.778 -4.138 11.541 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.239 -2.783 10.998 1.00 0.00 H new ATOM 1359 N SER A 88 -4.122 -5.806 11.593 1.00 0.00 N ATOM 1360 CA SER A 88 -5.126 -6.870 11.669 1.00 0.00 C ATOM 1361 C SER A 88 -5.150 -7.799 10.488 1.00 0.00 C ATOM 1362 O SER A 88 -5.159 -9.007 10.711 1.00 0.00 O ATOM 1363 CB SER A 88 -6.533 -6.452 12.062 1.00 0.00 C ATOM 1364 OG SER A 88 -7.002 -5.272 11.447 1.00 0.00 O ATOM 0 H SER A 88 -4.474 -4.856 11.711 1.00 0.00 H new ATOM 0 HA SER A 88 -4.748 -7.434 12.522 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.217 -7.265 11.821 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.566 -6.317 13.143 1.00 0.00 H new ATOM 0 HG SER A 88 -6.466 -5.084 10.648 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.138 -7.299 9.256 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.039 -8.207 8.144 1.00 0.00 C ATOM 1372 C LEU A 89 -3.815 -9.124 8.310 1.00 0.00 C ATOM 1373 O LEU A 89 -3.972 -10.321 8.106 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.131 -7.459 6.807 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.580 -7.175 6.364 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.186 -5.915 6.965 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -6.695 -7.120 4.835 1.00 0.00 C ATOM 0 H LEU A 89 -5.194 -6.309 9.018 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.897 -8.879 8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.592 -6.515 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.631 -8.045 6.036 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.157 -8.015 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.206 -5.792 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.197 -5.999 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.590 -5.050 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.729 -6.918 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.053 -6.327 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.384 -8.075 4.412 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.625 -8.661 8.706 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.505 -9.586 8.934 1.00 0.00 C ATOM 1391 C GLN A 90 -1.854 -10.603 10.044 1.00 0.00 C ATOM 1392 O GLN A 90 -1.717 -11.811 9.844 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.215 -8.818 9.283 1.00 0.00 C ATOM 1394 CG GLN A 90 1.004 -9.755 9.438 1.00 0.00 C ATOM 1395 CD GLN A 90 2.194 -9.097 10.140 1.00 0.00 C ATOM 1396 OE1 GLN A 90 2.033 -8.295 11.057 1.00 0.00 O ATOM 1397 NE2 GLN A 90 3.416 -9.425 9.756 1.00 0.00 N ATOM 0 H GLN A 90 -2.413 -7.677 8.873 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.329 -10.136 8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.010 -8.085 8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.364 -8.264 10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.704 -10.639 10.001 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.318 -10.096 8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.550 -10.091 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.225 -9.012 10.221 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.243 -10.117 11.227 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.346 -10.856 12.472 1.00 0.00 C ATOM 1408 C GLN A 91 -3.551 -11.797 12.544 1.00 0.00 C ATOM 1409 O GLN A 91 -3.425 -12.924 13.019 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.396 -9.809 13.601 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.382 -10.088 14.697 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.026 -10.843 15.853 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -2.581 -10.225 16.763 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -2.029 -12.161 15.835 1.00 0.00 N ATOM 0 H GLN A 91 -2.508 -9.138 11.339 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.484 -11.517 12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.212 -8.819 13.183 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.397 -9.792 14.032 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.554 -10.671 14.293 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.964 -9.149 15.059 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.566 -12.662 15.076 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.494 -12.680 16.580 1.00 0.00 H new ATOM 1423 N SER A 92 -4.730 -11.364 12.101 1.00 0.00 N ATOM 1424 CA SER A 92 -5.870 -12.243 11.907 1.00 0.00 C ATOM 1425 C SER A 92 -5.640 -13.109 10.661 1.00 0.00 C ATOM 1426 O SER A 92 -6.345 -14.099 10.474 1.00 0.00 O ATOM 1427 CB SER A 92 -7.127 -11.386 11.731 1.00 0.00 C ATOM 1428 OG SER A 92 -7.909 -11.380 12.903 1.00 0.00 O ATOM 0 H SER A 92 -4.917 -10.389 11.867 1.00 0.00 H new ATOM 0 HA SER A 92 -5.994 -12.897 12.770 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.841 -10.365 11.476 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.718 -11.769 10.899 1.00 0.00 H new ATOM 0 HG SER A 92 -8.704 -10.824 12.763 1.00 0.00 H new ATOM 1434 N GLY A 93 -4.670 -12.760 9.812 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.378 -13.466 8.583 1.00 0.00 C ATOM 1436 C GLY A 93 -5.255 -13.002 7.426 1.00 0.00 C ATOM 1437 O GLY A 93 -5.115 -13.545 6.327 1.00 0.00 O ATOM 0 H GLY A 93 -4.058 -11.960 9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.330 -13.319 8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.521 -14.535 8.738 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.134 -11.999 7.610 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.028 -11.606 6.531 1.00 0.00 C ATOM 1443 C GLU A 94 -6.264 -10.987 5.332 1.00 0.00 C ATOM 1444 O GLU A 94 -6.770 -10.978 4.209 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.127 -10.744 7.161 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.223 -10.266 6.207 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.407 -9.723 7.012 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.222 -8.771 7.800 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.529 -10.270 6.870 1.00 0.00 O ATOM 0 H GLU A 94 -6.236 -11.466 8.474 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.511 -12.463 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.594 -11.313 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.661 -9.870 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.832 -9.490 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.550 -11.089 5.571 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.007 -10.551 5.518 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.116 -10.047 4.465 1.00 0.00 C ATOM 1458 C LEU A 95 -3.833 -11.155 3.468 1.00 0.00 C ATOM 1459 O LEU A 95 -3.846 -10.911 2.271 1.00 0.00 O ATOM 1460 CB LEU A 95 -2.764 -9.552 5.040 1.00 0.00 C ATOM 1461 CG LEU A 95 -2.308 -8.183 4.503 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -0.993 -7.791 5.187 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -2.173 -8.069 2.988 1.00 0.00 C ATOM 0 H LEU A 95 -4.570 -10.540 6.439 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.619 -9.207 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.844 -9.495 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.995 -10.291 4.816 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.113 -7.491 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.663 -6.822 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.147 -7.730 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.233 -8.542 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.847 -7.062 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.439 -8.792 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.137 -8.271 2.521 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.565 -12.366 3.955 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.247 -13.516 3.115 1.00 0.00 C ATOM 1477 C LEU A 96 -4.425 -13.815 2.201 1.00 0.00 C ATOM 1478 O LEU A 96 -4.234 -14.004 1.001 1.00 0.00 O ATOM 1479 CB LEU A 96 -2.880 -14.740 3.951 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.461 -14.602 4.532 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -1.452 -13.883 5.889 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -0.836 -15.984 4.651 1.00 0.00 C ATOM 0 H LEU A 96 -3.563 -12.576 4.953 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.374 -13.272 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.599 -14.861 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.940 -15.637 3.335 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.873 -13.985 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.428 -13.811 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.867 -12.882 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.055 -14.445 6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.170 -15.894 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.444 -16.603 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.785 -16.446 3.665 1.00 0.00 H new ATOM 1494 N THR A 97 -5.639 -13.796 2.750 1.00 0.00 N ATOM 1495 CA THR A 97 -6.860 -13.939 1.978 1.00 0.00 C ATOM 1496 C THR A 97 -6.949 -12.819 0.935 1.00 0.00 C ATOM 1497 O THR A 97 -7.067 -13.102 -0.254 1.00 0.00 O ATOM 1498 CB THR A 97 -8.064 -13.915 2.936 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.803 -14.608 4.145 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.299 -14.526 2.284 1.00 0.00 C ATOM 0 H THR A 97 -5.798 -13.680 3.751 1.00 0.00 H new ATOM 0 HA THR A 97 -6.861 -14.890 1.445 1.00 0.00 H new ATOM 0 HB THR A 97 -8.245 -12.865 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.593 -14.566 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.133 -14.495 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.556 -13.960 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.092 -15.561 2.012 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.844 -11.551 1.356 1.00 0.00 N ATOM 1509 CA ARG A 98 -6.893 -10.384 0.475 1.00 0.00 C ATOM 1510 C ARG A 98 -5.895 -10.508 -0.678 1.00 0.00 C ATOM 1511 O ARG A 98 -6.208 -10.204 -1.822 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.626 -9.126 1.307 1.00 0.00 C ATOM 1513 CG ARG A 98 -6.943 -7.879 0.473 1.00 0.00 C ATOM 1514 CD ARG A 98 -7.958 -6.961 1.122 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.232 -7.643 1.408 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.007 -7.374 2.464 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -9.887 -6.211 3.085 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -10.885 -8.274 2.880 1.00 0.00 N ATOM 0 H ARG A 98 -6.720 -11.307 2.339 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.883 -10.318 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.238 -9.138 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.585 -9.105 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.021 -7.324 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.317 -8.189 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.545 -6.566 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.144 -6.109 0.467 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.543 -8.366 0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.206 -5.526 2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.475 -6.000 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.968 -9.168 2.395 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.478 -8.073 3.685 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.676 -10.933 -0.377 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.608 -11.112 -1.338 1.00 0.00 C ATOM 1534 C LEU A 99 -3.958 -12.217 -2.311 1.00 0.00 C ATOM 1535 O LEU A 99 -3.830 -12.031 -3.518 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.323 -11.456 -0.568 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.644 -10.255 0.093 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.639 -10.793 1.111 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.944 -9.376 -0.943 1.00 0.00 C ATOM 0 H LEU A 99 -4.399 -11.169 0.576 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.462 -10.197 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.560 -12.193 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.617 -11.926 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.390 -9.631 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.136 -9.959 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.162 -11.391 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.099 -11.413 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.471 -8.531 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.186 -9.961 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.676 -9.009 -1.662 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.362 -13.389 -1.835 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.636 -14.485 -2.751 1.00 0.00 C ATOM 1553 C LYS A 100 -5.909 -14.293 -3.554 1.00 0.00 C ATOM 1554 O LYS A 100 -5.997 -14.808 -4.669 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.575 -15.826 -2.036 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.503 -16.629 -2.794 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.431 -18.079 -2.302 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.771 -19.009 -3.324 1.00 0.00 C ATOM 1559 NZ LYS A 100 -3.665 -19.313 -4.462 1.00 0.00 N ATOM 0 H LYS A 100 -4.504 -13.601 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.840 -14.483 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.308 -15.703 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.540 -16.332 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.725 -16.617 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.531 -16.152 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.872 -18.115 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.438 -18.437 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.857 -18.547 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.482 -19.938 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.232 -20.048 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.580 -19.652 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.812 -18.453 -5.027 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.837 -13.490 -3.049 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.930 -12.936 -3.842 1.00 0.00 C ATOM 1575 C GLN A 101 -7.404 -12.278 -5.131 1.00 0.00 C ATOM 1576 O GLN A 101 -8.111 -12.314 -6.138 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.758 -11.950 -2.994 1.00 0.00 C ATOM 1578 CG GLN A 101 -10.125 -11.560 -3.573 1.00 0.00 C ATOM 1579 CD GLN A 101 -11.107 -12.727 -3.586 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.996 -13.634 -4.406 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -12.099 -12.733 -2.712 1.00 0.00 N ATOM 0 H GLN A 101 -6.854 -13.202 -2.071 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.586 -13.751 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.913 -12.389 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.172 -11.042 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.545 -10.742 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.993 -11.189 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.185 -11.976 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.778 -13.494 -2.716 1.00 0.00 H new ATOM 1590 N ILE A 102 -6.170 -11.747 -5.146 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.517 -11.197 -6.343 1.00 0.00 C ATOM 1592 C ILE A 102 -4.313 -12.055 -6.789 1.00 0.00 C ATOM 1593 O ILE A 102 -3.382 -11.550 -7.418 1.00 0.00 O ATOM 1594 CB ILE A 102 -5.226 -9.686 -6.169 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -4.156 -9.315 -5.147 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -6.456 -8.944 -5.688 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -3.317 -8.103 -5.555 1.00 0.00 C ATOM 0 H ILE A 102 -5.589 -11.687 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.208 -11.258 -7.184 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.886 -9.409 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.635 -9.110 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.496 -10.170 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.221 -7.886 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.260 -9.062 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.773 -9.350 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.577 -7.896 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.810 -8.312 -6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.966 -7.236 -5.677 1.00 0.00 H new ATOM 1609 N GLY A 103 -4.317 -13.356 -6.473 1.00 0.00 N ATOM 1610 CA GLY A 103 -3.401 -14.364 -7.015 1.00 0.00 C ATOM 1611 C GLY A 103 -1.951 -14.225 -6.552 1.00 0.00 C ATOM 1612 O GLY A 103 -1.044 -14.743 -7.200 1.00 0.00 O ATOM 0 H GLY A 103 -4.983 -13.749 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.764 -15.353 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.427 -14.311 -8.103 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.729 -13.506 -5.455 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.443 -13.035 -4.990 1.00 0.00 C ATOM 1618 C ALA A 104 0.385 -14.143 -4.395 1.00 0.00 C ATOM 1619 O ALA A 104 1.530 -14.271 -4.800 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.752 -12.050 -3.877 1.00 0.00 C ATOM 0 H ALA A 104 -2.490 -13.225 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 104 0.117 -12.609 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.179 -11.651 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.357 -11.233 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.301 -12.558 -3.084 1.00 0.00 H new ATOM 1626 N LEU A 105 -0.097 -14.859 -3.374 1.00 0.00 N ATOM 1627 CA LEU A 105 0.763 -15.836 -2.763 1.00 0.00 C ATOM 1628 C LEU A 105 1.001 -16.885 -3.842 1.00 0.00 C ATOM 1629 O LEU A 105 0.061 -17.297 -4.531 1.00 0.00 O ATOM 1630 CB LEU A 105 0.129 -16.438 -1.519 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.650 -15.531 -0.541 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -1.155 -16.358 0.644 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.185 -14.370 0.006 1.00 0.00 C ATOM 0 H LEU A 105 -1.034 -14.777 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 105 1.699 -15.395 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.552 -17.223 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.923 -16.923 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.476 -15.107 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.704 -15.713 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.814 -17.147 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.307 -16.804 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.423 -13.773 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.049 -14.764 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.525 -13.745 -0.820 1.00 0.00 H new ATOM 1645 N GLN A 106 2.260 -17.260 -4.004 1.00 0.00 N ATOM 1646 CA GLN A 106 2.794 -17.768 -5.256 1.00 0.00 C ATOM 1647 C GLN A 106 2.875 -19.273 -5.155 1.00 0.00 C ATOM 1648 O GLN A 106 3.682 -19.777 -4.342 1.00 0.00 O ATOM 1649 CB GLN A 106 4.123 -17.053 -5.568 1.00 0.00 C ATOM 1650 CG GLN A 106 4.646 -17.357 -6.984 1.00 0.00 C ATOM 1651 CD GLN A 106 5.752 -16.403 -7.465 1.00 0.00 C ATOM 1652 OE1 GLN A 106 6.039 -15.363 -6.878 1.00 0.00 O ATOM 1653 NE2 GLN A 106 6.376 -16.697 -8.590 1.00 0.00 N ATOM 1654 OXT GLN A 106 2.029 -19.949 -5.776 1.00 0.00 O ATOM 0 H GLN A 106 2.951 -17.219 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 106 2.150 -17.553 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.986 -15.977 -5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.873 -17.354 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.027 -18.378 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.812 -17.312 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.149 -17.557 -9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.085 -16.064 -8.960 1.00 0.00 H new TER 1663 GLN A 106