USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1025 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 16 GLN : amide:sc= -0.0839 X(o=0.58,f=0.64) USER MOD Set 1.2: A 20 SER OG : rot -40:sc= 0.664 USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.594 K(o=-1.4,f=-0.65) USER MOD Set 2.2: A 10 ASN : amide:sc= -0.775 K(o=-1.4,f=-0.4) USER MOD Single : A 2 SER OG : rot 24:sc= 0.743 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -5.45 K(o=-5.5,f=-4.7) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 32 HIS : no HD1:sc= 0.00309 K(o=0.0031,f=-0.62) USER MOD Single : A 37 THR OG1 : rot 163:sc= 0.0993 USER MOD Single : A 38 CYS SG : rot 160:sc= 0.83 USER MOD Single : A 39 MET CE :methyl 158:sc= -0.26 (180deg=-1.09) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -139:sc= -2.39 (180deg=-2.89) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -43:sc= 1.13 USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= -0.0162 (180deg=-0.403) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.0329 (180deg=-0.249) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.778 USER MOD Single : A 64 THR OG1 : rot -17:sc= -0.0398 USER MOD Single : A 70 ASN : amide:sc= -8.94! C(o=-8.9!,f=-14!) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.083) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 50:sc= -3.35 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -3.99! C(o=-4!,f=-1.6!) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -0.427 (180deg=-1.54!) USER MOD Single : A 89 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.44) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 98 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.054) USER MOD Single : A 99 ASN : amide:sc=-4.37e-05 X(o=-4.4e-05,f=0.4) USER MOD Single : A 100 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.288 K(o=-0.29,f=-3!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -155:sc= 0.394 (180deg=0.177) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl -170:sc= -5.65! (180deg=-6.08!) USER MOD Single : A 118 THR OG1 : rot 78:sc= 0.597 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 125 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0639) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -14.667 7.990 -14.407 1.00 0.00 N ATOM 2 CA SER A 2 -13.215 7.676 -14.473 1.00 0.00 C ATOM 3 C SER A 2 -12.459 8.317 -13.314 1.00 0.00 C ATOM 4 O SER A 2 -12.517 9.530 -13.116 1.00 0.00 O ATOM 5 CB SER A 2 -12.667 8.187 -15.808 1.00 0.00 C ATOM 6 OG SER A 2 -13.680 8.217 -16.797 1.00 0.00 O ATOM 0 HA SER A 2 -13.078 6.597 -14.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.254 9.187 -15.676 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.850 7.545 -16.139 1.00 0.00 H new ATOM 0 HG SER A 2 -14.558 8.272 -16.365 1.00 0.00 H new ATOM 14 N TYR A 3 -11.749 7.492 -12.551 1.00 0.00 N ATOM 15 CA TYR A 3 -10.980 7.978 -11.410 1.00 0.00 C ATOM 16 C TYR A 3 -9.553 7.444 -11.449 1.00 0.00 C ATOM 17 O TYR A 3 -9.321 6.286 -11.798 1.00 0.00 O ATOM 18 CB TYR A 3 -11.656 7.568 -10.100 1.00 0.00 C ATOM 19 CG TYR A 3 -11.570 8.620 -9.018 1.00 0.00 C ATOM 20 CD1 TYR A 3 -10.341 9.030 -8.517 1.00 0.00 C ATOM 21 CD2 TYR A 3 -12.718 9.202 -8.496 1.00 0.00 C ATOM 22 CE1 TYR A 3 -10.258 9.991 -7.528 1.00 0.00 C ATOM 23 CE2 TYR A 3 -12.644 10.165 -7.507 1.00 0.00 C ATOM 24 CZ TYR A 3 -11.412 10.555 -7.027 1.00 0.00 C ATOM 25 OH TYR A 3 -11.333 11.512 -6.041 1.00 0.00 O ATOM 0 H TYR A 3 -11.690 6.485 -12.702 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.943 9.066 -11.466 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -12.705 7.346 -10.296 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -11.198 6.648 -9.737 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.435 8.590 -8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.685 8.897 -8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.294 10.299 -7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.546 10.609 -7.113 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.235 11.808 -5.799 1.00 0.00 H new ATOM 35 N MET A 4 -8.597 8.295 -11.088 1.00 0.00 N ATOM 36 CA MET A 4 -7.191 7.907 -11.082 1.00 0.00 C ATOM 37 C MET A 4 -6.741 7.517 -9.678 1.00 0.00 C ATOM 38 O MET A 4 -7.561 7.365 -8.772 1.00 0.00 O ATOM 39 CB MET A 4 -6.324 9.052 -11.609 1.00 0.00 C ATOM 40 CG MET A 4 -6.864 9.691 -12.877 1.00 0.00 C ATOM 41 SD MET A 4 -7.789 11.204 -12.551 1.00 0.00 S ATOM 42 CE MET A 4 -8.819 11.293 -14.015 1.00 0.00 C ATOM 0 H MET A 4 -8.771 9.257 -10.796 1.00 0.00 H new ATOM 0 HA MET A 4 -7.074 7.042 -11.734 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.237 9.816 -10.836 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.319 8.677 -11.801 1.00 0.00 H new ATOM 0 HG2 MET A 4 -6.035 9.914 -13.549 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.509 8.979 -13.392 1.00 0.00 H new ATOM 0 HE1 MET A 4 -9.451 12.179 -13.962 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.187 11.351 -14.901 1.00 0.00 H new ATOM 0 HE3 MET A 4 -9.446 10.403 -14.074 1.00 0.00 H new ATOM 52 N LEU A 5 -5.432 7.353 -9.505 1.00 0.00 N ATOM 53 CA LEU A 5 -4.866 6.976 -8.217 1.00 0.00 C ATOM 54 C LEU A 5 -5.395 7.872 -7.096 1.00 0.00 C ATOM 55 O LEU A 5 -5.004 9.034 -6.984 1.00 0.00 O ATOM 56 CB LEU A 5 -3.339 7.059 -8.268 1.00 0.00 C ATOM 57 CG LEU A 5 -2.780 8.335 -8.902 1.00 0.00 C ATOM 58 CD1 LEU A 5 -2.332 9.315 -7.827 1.00 0.00 C ATOM 59 CD2 LEU A 5 -1.628 8.006 -9.840 1.00 0.00 C ATOM 0 H LEU A 5 -4.742 7.477 -10.246 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.167 5.950 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.952 6.976 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.962 6.200 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.573 8.804 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.938 10.216 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.182 9.577 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.555 8.855 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.244 8.926 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.833 7.512 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.981 7.344 -10.631 1.00 0.00 H new ATOM 71 N PRO A 6 -6.298 7.345 -6.246 1.00 0.00 N ATOM 72 CA PRO A 6 -6.874 8.111 -5.136 1.00 0.00 C ATOM 73 C PRO A 6 -5.861 8.373 -4.027 1.00 0.00 C ATOM 74 O PRO A 6 -5.083 7.491 -3.661 1.00 0.00 O ATOM 75 CB PRO A 6 -8.000 7.209 -4.629 1.00 0.00 C ATOM 76 CG PRO A 6 -7.578 5.831 -5.006 1.00 0.00 C ATOM 77 CD PRO A 6 -6.825 5.968 -6.301 1.00 0.00 C ATOM 0 HA PRO A 6 -7.211 9.098 -5.453 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.128 7.303 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.954 7.471 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.948 5.391 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.442 5.177 -5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.023 5.234 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.477 5.821 -7.162 1.00 0.00 H new ATOM 85 N HIS A 7 -5.876 9.591 -3.495 1.00 0.00 N ATOM 86 CA HIS A 7 -4.958 9.971 -2.427 1.00 0.00 C ATOM 87 C HIS A 7 -5.701 10.153 -1.107 1.00 0.00 C ATOM 88 O HIS A 7 -6.851 10.592 -1.084 1.00 0.00 O ATOM 89 CB HIS A 7 -4.226 11.263 -2.795 1.00 0.00 C ATOM 90 CG HIS A 7 -2.882 11.396 -2.150 1.00 0.00 C ATOM 91 ND1 HIS A 7 -1.718 11.583 -2.866 1.00 0.00 N ATOM 92 CD2 HIS A 7 -2.518 11.372 -0.845 1.00 0.00 C ATOM 93 CE1 HIS A 7 -0.697 11.667 -2.031 1.00 0.00 C ATOM 94 NE2 HIS A 7 -1.156 11.543 -0.799 1.00 0.00 N ATOM 0 H HIS A 7 -6.514 10.332 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.230 9.169 -2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.106 11.307 -3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.843 12.114 -2.508 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -1.655 11.647 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.176 11.243 0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.336 11.812 -2.309 1.00 0.00 H new ATOM 103 N LEU A 8 -5.035 9.813 -0.008 1.00 0.00 N ATOM 104 CA LEU A 8 -5.629 9.940 1.317 1.00 0.00 C ATOM 105 C LEU A 8 -5.402 11.340 1.881 1.00 0.00 C ATOM 106 O LEU A 8 -4.822 12.199 1.217 1.00 0.00 O ATOM 107 CB LEU A 8 -5.041 8.894 2.266 1.00 0.00 C ATOM 108 CG LEU A 8 -5.652 7.496 2.148 1.00 0.00 C ATOM 109 CD1 LEU A 8 -4.613 6.432 2.462 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.854 7.361 3.072 1.00 0.00 C ATOM 0 H LEU A 8 -4.083 9.447 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.702 9.773 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.969 8.822 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.167 9.244 3.291 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.990 7.352 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.065 5.444 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.783 6.516 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.244 6.572 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.277 6.361 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.541 7.525 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.607 8.101 2.800 1.00 0.00 H new ATOM 122 N HIS A 9 -5.864 11.564 3.106 1.00 0.00 N ATOM 123 CA HIS A 9 -5.709 12.861 3.755 1.00 0.00 C ATOM 124 C HIS A 9 -5.035 12.716 5.115 1.00 0.00 C ATOM 125 O HIS A 9 -3.898 13.149 5.304 1.00 0.00 O ATOM 126 CB HIS A 9 -7.072 13.538 3.916 1.00 0.00 C ATOM 127 CG HIS A 9 -7.033 15.019 3.699 1.00 0.00 C ATOM 128 ND1 HIS A 9 -6.291 15.615 2.700 1.00 0.00 N ATOM 129 CD2 HIS A 9 -7.650 16.028 4.359 1.00 0.00 C ATOM 130 CE1 HIS A 9 -6.453 16.925 2.756 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.274 17.201 3.752 1.00 0.00 N ATOM 0 H HIS A 9 -6.348 10.865 3.669 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.074 13.481 3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.775 13.094 3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.453 13.335 4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.314 15.929 5.205 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.992 17.647 2.099 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -7.580 18.135 4.026 1.00 0.00 H new ATOM 140 N ASN A 10 -5.743 12.106 6.060 1.00 0.00 N ATOM 141 CA ASN A 10 -5.210 11.907 7.404 1.00 0.00 C ATOM 142 C ASN A 10 -5.577 10.527 7.938 1.00 0.00 C ATOM 143 O ASN A 10 -6.137 9.701 7.218 1.00 0.00 O ATOM 144 CB ASN A 10 -5.737 12.989 8.348 1.00 0.00 C ATOM 145 CG ASN A 10 -5.552 14.386 7.789 1.00 0.00 C ATOM 146 OD1 ASN A 10 -4.555 15.051 8.069 1.00 0.00 O ATOM 147 ND2 ASN A 10 -6.515 14.838 6.994 1.00 0.00 N ATOM 0 H ASN A 10 -6.685 11.741 5.921 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.124 11.977 7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.796 12.815 8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.223 12.913 9.306 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.445 15.771 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.324 14.252 6.789 1.00 0.00 H new ATOM 154 N GLY A 11 -5.256 10.286 9.205 1.00 0.00 N ATOM 155 CA GLY A 11 -5.559 9.004 9.816 1.00 0.00 C ATOM 156 C GLY A 11 -7.040 8.684 9.795 1.00 0.00 C ATOM 157 O GLY A 11 -7.430 7.516 9.841 1.00 0.00 O ATOM 0 H GLY A 11 -4.792 10.955 9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.014 8.218 9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.206 9.005 10.847 1.00 0.00 H new ATOM 161 N TRP A 12 -7.870 9.720 9.726 1.00 0.00 N ATOM 162 CA TRP A 12 -9.317 9.542 9.699 1.00 0.00 C ATOM 163 C TRP A 12 -9.737 8.678 8.514 1.00 0.00 C ATOM 164 O TRP A 12 -10.504 7.727 8.666 1.00 0.00 O ATOM 165 CB TRP A 12 -10.019 10.898 9.630 1.00 0.00 C ATOM 166 CG TRP A 12 -9.964 11.662 10.918 1.00 0.00 C ATOM 167 CD1 TRP A 12 -8.994 11.585 11.875 1.00 0.00 C ATOM 168 CD2 TRP A 12 -10.921 12.617 11.391 1.00 0.00 C ATOM 169 NE1 TRP A 12 -9.288 12.435 12.914 1.00 0.00 N ATOM 170 CE2 TRP A 12 -10.467 13.079 12.640 1.00 0.00 C ATOM 171 CE3 TRP A 12 -12.118 13.126 10.878 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -11.167 14.026 13.383 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -12.812 14.066 11.617 1.00 0.00 C ATOM 174 CH2 TRP A 12 -12.335 14.507 12.857 1.00 0.00 C ATOM 0 H TRP A 12 -7.565 10.692 9.688 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.612 9.035 10.618 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.562 11.496 8.842 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.062 10.745 9.351 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.123 10.949 11.823 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -8.722 12.566 13.752 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -12.493 12.791 9.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -10.801 14.368 14.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -13.738 14.467 11.231 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -12.901 15.242 13.410 1.00 0.00 H new ATOM 185 N GLN A 13 -9.229 9.015 7.333 1.00 0.00 N ATOM 186 CA GLN A 13 -9.552 8.270 6.121 1.00 0.00 C ATOM 187 C GLN A 13 -8.660 7.041 5.984 1.00 0.00 C ATOM 188 O GLN A 13 -9.108 5.982 5.543 1.00 0.00 O ATOM 189 CB GLN A 13 -9.398 9.165 4.890 1.00 0.00 C ATOM 190 CG GLN A 13 -10.358 10.344 4.871 1.00 0.00 C ATOM 191 CD GLN A 13 -10.291 11.129 3.576 1.00 0.00 C ATOM 192 OE1 GLN A 13 -9.726 10.667 2.585 1.00 0.00 O ATOM 193 NE2 GLN A 13 -10.868 12.325 3.578 1.00 0.00 N ATOM 0 H GLN A 13 -8.592 9.799 7.189 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.588 7.939 6.194 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.375 9.539 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.554 8.565 3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.375 9.982 5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.130 11.007 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.326 12.669 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.854 12.900 2.735 1.00 0.00 H new ATOM 202 N VAL A 14 -7.395 7.188 6.366 1.00 0.00 N ATOM 203 CA VAL A 14 -6.440 6.090 6.286 1.00 0.00 C ATOM 204 C VAL A 14 -6.846 4.942 7.205 1.00 0.00 C ATOM 205 O VAL A 14 -7.079 3.822 6.750 1.00 0.00 O ATOM 206 CB VAL A 14 -5.018 6.552 6.657 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.012 5.436 6.416 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.639 7.799 5.873 1.00 0.00 C ATOM 0 H VAL A 14 -7.008 8.057 6.734 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.442 5.744 5.252 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.003 6.800 7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.014 5.782 6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.273 4.572 7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.028 5.153 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.631 8.110 6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.672 7.582 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.341 8.600 6.102 1.00 0.00 H new ATOM 218 N ASP A 15 -6.926 5.229 8.500 1.00 0.00 N ATOM 219 CA ASP A 15 -7.304 4.221 9.485 1.00 0.00 C ATOM 220 C ASP A 15 -8.691 3.661 9.186 1.00 0.00 C ATOM 221 O ASP A 15 -8.897 2.447 9.203 1.00 0.00 O ATOM 222 CB ASP A 15 -7.274 4.818 10.893 1.00 0.00 C ATOM 223 CG ASP A 15 -5.902 5.337 11.272 1.00 0.00 C ATOM 224 OD1 ASP A 15 -4.964 4.518 11.373 1.00 0.00 O ATOM 225 OD2 ASP A 15 -5.765 6.563 11.470 1.00 0.00 O ATOM 0 H ASP A 15 -6.734 6.151 8.892 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.583 3.405 9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.997 5.631 10.955 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.584 4.060 11.613 1.00 0.00 H new ATOM 230 N GLN A 16 -9.637 4.552 8.912 1.00 0.00 N ATOM 231 CA GLN A 16 -11.005 4.145 8.609 1.00 0.00 C ATOM 232 C GLN A 16 -11.045 3.246 7.377 1.00 0.00 C ATOM 233 O GLN A 16 -11.796 2.273 7.331 1.00 0.00 O ATOM 234 CB GLN A 16 -11.888 5.374 8.387 1.00 0.00 C ATOM 235 CG GLN A 16 -13.341 5.035 8.100 1.00 0.00 C ATOM 236 CD GLN A 16 -13.948 5.926 7.034 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.644 5.452 6.136 1.00 0.00 O ATOM 238 NE2 GLN A 16 -13.686 7.224 7.127 1.00 0.00 N ATOM 0 H GLN A 16 -9.483 5.560 8.893 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.387 3.581 9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.840 6.010 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.488 5.953 7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.412 3.995 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.920 5.128 9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.104 7.574 7.888 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.067 7.872 6.437 1.00 0.00 H new ATOM 247 N ALA A 17 -10.230 3.579 6.382 1.00 0.00 N ATOM 248 CA ALA A 17 -10.171 2.803 5.149 1.00 0.00 C ATOM 249 C ALA A 17 -9.805 1.350 5.431 1.00 0.00 C ATOM 250 O ALA A 17 -10.263 0.439 4.741 1.00 0.00 O ATOM 251 CB ALA A 17 -9.170 3.421 4.185 1.00 0.00 C ATOM 0 H ALA A 17 -9.601 4.382 6.405 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.160 2.820 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.136 2.832 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.474 4.441 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.182 3.434 4.645 1.00 0.00 H new ATOM 257 N ILE A 18 -8.979 1.140 6.451 1.00 0.00 N ATOM 258 CA ILE A 18 -8.552 -0.203 6.824 1.00 0.00 C ATOM 259 C ILE A 18 -9.748 -1.082 7.174 1.00 0.00 C ATOM 260 O ILE A 18 -10.013 -2.081 6.507 1.00 0.00 O ATOM 261 CB ILE A 18 -7.583 -0.173 8.024 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.452 0.829 7.776 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.020 -1.562 8.285 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.730 0.618 6.462 1.00 0.00 C ATOM 0 H ILE A 18 -8.592 1.883 7.034 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.036 -0.622 5.960 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.136 0.147 8.907 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.862 1.839 7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.732 0.760 8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.338 -1.524 9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.836 -2.250 8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.482 -1.908 7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.943 1.364 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.290 -0.379 6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.437 0.717 5.638 1.00 0.00 H new ATOM 276 N LEU A 19 -10.467 -0.703 8.225 1.00 0.00 N ATOM 277 CA LEU A 19 -11.636 -1.457 8.664 1.00 0.00 C ATOM 278 C LEU A 19 -12.809 -1.250 7.711 1.00 0.00 C ATOM 279 O LEU A 19 -13.661 -2.125 7.562 1.00 0.00 O ATOM 280 CB LEU A 19 -12.036 -1.038 10.081 1.00 0.00 C ATOM 281 CG LEU A 19 -13.284 -1.729 10.632 1.00 0.00 C ATOM 282 CD1 LEU A 19 -13.163 -1.929 12.135 1.00 0.00 C ATOM 283 CD2 LEU A 19 -14.530 -0.924 10.297 1.00 0.00 C ATOM 0 H LEU A 19 -10.261 0.122 8.789 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.375 -2.515 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.201 -1.240 10.752 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.201 0.039 10.092 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.372 -2.709 10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.060 -2.422 12.510 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.292 -2.548 12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.050 -0.961 12.623 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.409 -1.430 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.451 0.069 10.739 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.624 -0.833 9.215 1.00 0.00 H new ATOM 295 N SER A 20 -12.847 -0.086 7.068 1.00 0.00 N ATOM 296 CA SER A 20 -13.918 0.235 6.130 1.00 0.00 C ATOM 297 C SER A 20 -13.563 -0.195 4.707 1.00 0.00 C ATOM 298 O SER A 20 -14.058 0.378 3.737 1.00 0.00 O ATOM 299 CB SER A 20 -14.213 1.736 6.158 1.00 0.00 C ATOM 300 OG SER A 20 -15.377 2.042 5.411 1.00 0.00 O ATOM 0 H SER A 20 -12.149 0.650 7.179 1.00 0.00 H new ATOM 0 HA SER A 20 -14.806 -0.316 6.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.342 2.065 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.363 2.284 5.753 1.00 0.00 H new ATOM 0 HG SER A 20 -15.392 1.502 4.593 1.00 0.00 H new ATOM 306 N GLU A 21 -12.705 -1.206 4.584 1.00 0.00 N ATOM 307 CA GLU A 21 -12.295 -1.705 3.276 1.00 0.00 C ATOM 308 C GLU A 21 -13.506 -2.107 2.441 1.00 0.00 C ATOM 309 O GLU A 21 -13.629 -1.717 1.279 1.00 0.00 O ATOM 310 CB GLU A 21 -11.351 -2.900 3.435 1.00 0.00 C ATOM 311 CG GLU A 21 -11.931 -4.026 4.276 1.00 0.00 C ATOM 312 CD GLU A 21 -10.911 -5.104 4.586 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.881 -4.784 5.215 1.00 0.00 O ATOM 314 OE2 GLU A 21 -11.144 -6.269 4.201 1.00 0.00 O ATOM 0 H GLU A 21 -12.282 -1.694 5.373 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.770 -0.902 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.099 -3.288 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.421 -2.560 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.317 -3.616 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.776 -4.470 3.750 1.00 0.00 H new ATOM 321 N GLU A 22 -14.402 -2.887 3.041 1.00 0.00 N ATOM 322 CA GLU A 22 -15.607 -3.341 2.355 1.00 0.00 C ATOM 323 C GLU A 22 -15.265 -4.010 1.027 1.00 0.00 C ATOM 324 O GLU A 22 -16.053 -3.976 0.082 1.00 0.00 O ATOM 325 CB GLU A 22 -16.555 -2.164 2.115 1.00 0.00 C ATOM 326 CG GLU A 22 -18.025 -2.548 2.162 1.00 0.00 C ATOM 327 CD GLU A 22 -18.877 -1.508 2.862 1.00 0.00 C ATOM 328 OE1 GLU A 22 -18.497 -1.077 3.972 1.00 0.00 O ATOM 329 OE2 GLU A 22 -19.925 -1.124 2.301 1.00 0.00 O ATOM 0 H GLU A 22 -14.315 -3.218 4.002 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.100 -4.075 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.364 -1.396 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.334 -1.723 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.393 -2.689 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.131 -3.504 2.675 1.00 0.00 H new ATOM 336 N ASP A 23 -14.084 -4.618 0.963 1.00 0.00 N ATOM 337 CA ASP A 23 -13.640 -5.295 -0.250 1.00 0.00 C ATOM 338 C ASP A 23 -12.853 -6.554 0.085 1.00 0.00 C ATOM 339 O ASP A 23 -13.333 -7.672 -0.108 1.00 0.00 O ATOM 340 CB ASP A 23 -12.785 -4.353 -1.100 1.00 0.00 C ATOM 341 CG ASP A 23 -13.546 -3.114 -1.531 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.723 -3.246 -1.927 1.00 0.00 O ATOM 343 OD2 ASP A 23 -12.964 -2.010 -1.472 1.00 0.00 O ATOM 0 H ASP A 23 -13.419 -4.655 1.735 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.524 -5.585 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.903 -4.056 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.431 -4.885 -1.983 1.00 0.00 H new ATOM 348 N ARG A 24 -11.643 -6.363 0.586 1.00 0.00 N ATOM 349 CA ARG A 24 -10.778 -7.480 0.951 1.00 0.00 C ATOM 350 C ARG A 24 -9.485 -6.985 1.584 1.00 0.00 C ATOM 351 O ARG A 24 -9.258 -7.159 2.782 1.00 0.00 O ATOM 352 CB ARG A 24 -10.468 -8.336 -0.279 1.00 0.00 C ATOM 353 CG ARG A 24 -9.938 -9.720 0.057 1.00 0.00 C ATOM 354 CD ARG A 24 -9.494 -10.467 -1.192 1.00 0.00 C ATOM 355 NE ARG A 24 -9.965 -11.851 -1.198 1.00 0.00 N ATOM 356 CZ ARG A 24 -11.249 -12.199 -1.252 1.00 0.00 C ATOM 357 NH1 ARG A 24 -12.194 -11.268 -1.303 1.00 0.00 N ATOM 358 NH2 ARG A 24 -11.589 -13.480 -1.255 1.00 0.00 N ATOM 0 H ARG A 24 -11.234 -5.443 0.751 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.305 -8.090 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.374 -8.439 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.736 -7.816 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.099 -9.631 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.712 -10.292 0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.871 -9.952 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.406 -10.454 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.268 -12.595 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.938 -10.281 -1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.176 -11.540 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.867 -14.199 -1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.573 -13.746 -1.296 1.00 0.00 H new ATOM 372 N VAL A 25 -8.641 -6.371 0.770 1.00 0.00 N ATOM 373 CA VAL A 25 -7.363 -5.846 1.236 1.00 0.00 C ATOM 374 C VAL A 25 -7.266 -4.343 0.992 1.00 0.00 C ATOM 375 O VAL A 25 -8.228 -3.712 0.551 1.00 0.00 O ATOM 376 CB VAL A 25 -6.167 -6.547 0.547 1.00 0.00 C ATOM 377 CG1 VAL A 25 -5.496 -7.522 1.503 1.00 0.00 C ATOM 378 CG2 VAL A 25 -6.609 -7.260 -0.724 1.00 0.00 C ATOM 0 H VAL A 25 -8.818 -6.222 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.316 -6.045 2.307 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.442 -5.782 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.658 -8.005 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.133 -6.982 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.216 -8.278 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.749 -7.744 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.359 -8.012 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.036 -6.536 -1.418 1.00 0.00 H new ATOM 388 N VAL A 26 -6.098 -3.775 1.274 1.00 0.00 N ATOM 389 CA VAL A 26 -5.874 -2.362 1.082 1.00 0.00 C ATOM 390 C VAL A 26 -4.385 -2.039 1.012 1.00 0.00 C ATOM 391 O VAL A 26 -3.580 -2.613 1.743 1.00 0.00 O ATOM 392 CB VAL A 26 -6.532 -1.526 2.199 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.992 -1.936 3.561 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.321 -0.039 1.957 1.00 0.00 C ATOM 0 H VAL A 26 -5.292 -4.283 1.638 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.336 -2.098 0.131 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.605 -1.720 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.467 -1.336 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.207 -2.990 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.914 -1.776 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.794 0.531 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.253 0.179 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.765 0.241 1.002 1.00 0.00 H new ATOM 404 N VAL A 27 -4.029 -1.118 0.123 1.00 0.00 N ATOM 405 CA VAL A 27 -2.638 -0.715 -0.049 1.00 0.00 C ATOM 406 C VAL A 27 -2.436 0.745 0.347 1.00 0.00 C ATOM 407 O VAL A 27 -3.352 1.561 0.237 1.00 0.00 O ATOM 408 CB VAL A 27 -2.174 -0.912 -1.506 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.707 -0.541 -1.662 1.00 0.00 C ATOM 410 CG2 VAL A 27 -2.418 -2.345 -1.952 1.00 0.00 C ATOM 0 H VAL A 27 -4.686 -0.636 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.039 -1.350 0.604 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.758 -0.249 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.403 -0.688 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.565 0.504 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.101 -1.173 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.085 -2.467 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.862 -3.026 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.482 -2.571 -1.886 1.00 0.00 H new ATOM 420 N ILE A 28 -1.231 1.066 0.809 1.00 0.00 N ATOM 421 CA ILE A 28 -0.908 2.426 1.222 1.00 0.00 C ATOM 422 C ILE A 28 0.492 2.819 0.762 1.00 0.00 C ATOM 423 O ILE A 28 1.398 1.988 0.720 1.00 0.00 O ATOM 424 CB ILE A 28 -1.000 2.584 2.752 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.346 2.063 3.261 1.00 0.00 C ATOM 426 CG2 ILE A 28 -0.806 4.040 3.149 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.348 0.578 3.554 1.00 0.00 C ATOM 0 H ILE A 28 -0.463 0.402 0.906 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.640 3.084 0.753 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.206 1.994 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.617 2.604 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.114 2.280 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.874 4.134 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.175 4.380 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.579 4.650 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.334 0.279 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.109 0.027 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.603 0.357 4.318 1.00 0.00 H new ATOM 439 N ARG A 29 0.659 4.090 0.416 1.00 0.00 N ATOM 440 CA ARG A 29 1.949 4.594 -0.043 1.00 0.00 C ATOM 441 C ARG A 29 2.384 5.804 0.777 1.00 0.00 C ATOM 442 O ARG A 29 1.557 6.614 1.193 1.00 0.00 O ATOM 443 CB ARG A 29 1.872 4.966 -1.526 1.00 0.00 C ATOM 444 CG ARG A 29 2.500 3.931 -2.447 1.00 0.00 C ATOM 445 CD ARG A 29 3.843 4.402 -2.981 1.00 0.00 C ATOM 446 NE ARG A 29 4.800 3.305 -3.101 1.00 0.00 N ATOM 447 CZ ARG A 29 6.119 3.475 -3.158 1.00 0.00 C ATOM 448 NH1 ARG A 29 6.641 4.694 -3.110 1.00 0.00 N ATOM 449 NH2 ARG A 29 6.918 2.422 -3.264 1.00 0.00 N ATOM 0 H ARG A 29 -0.082 4.791 0.444 1.00 0.00 H new ATOM 0 HA ARG A 29 2.690 3.806 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.827 5.101 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.369 5.924 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.631 2.993 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.827 3.728 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.702 4.868 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.249 5.166 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 29 4.436 2.353 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.031 5.507 -3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.653 4.818 -3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.522 1.483 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.929 2.551 -3.308 1.00 0.00 H new ATOM 463 N PHE A 30 3.688 5.920 1.005 1.00 0.00 N ATOM 464 CA PHE A 30 4.233 7.034 1.773 1.00 0.00 C ATOM 465 C PHE A 30 5.248 7.816 0.946 1.00 0.00 C ATOM 466 O PHE A 30 6.084 7.231 0.259 1.00 0.00 O ATOM 467 CB PHE A 30 4.891 6.521 3.057 1.00 0.00 C ATOM 468 CG PHE A 30 3.955 6.466 4.230 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.793 5.714 4.172 1.00 0.00 C ATOM 470 CD2 PHE A 30 4.237 7.168 5.392 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.929 5.662 5.249 1.00 0.00 C ATOM 472 CE2 PHE A 30 3.378 7.120 6.473 1.00 0.00 C ATOM 473 CZ PHE A 30 2.223 6.366 6.402 1.00 0.00 C ATOM 0 H PHE A 30 4.387 5.257 0.669 1.00 0.00 H new ATOM 0 HA PHE A 30 3.412 7.701 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.293 5.524 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.735 7.165 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.560 5.162 3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.139 7.759 5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.026 5.073 5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.609 7.671 7.372 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.550 6.326 7.246 1.00 0.00 H new ATOM 483 N GLY A 31 5.168 9.142 1.013 1.00 0.00 N ATOM 484 CA GLY A 31 6.088 9.976 0.262 1.00 0.00 C ATOM 485 C GLY A 31 5.371 10.943 -0.658 1.00 0.00 C ATOM 486 O GLY A 31 4.337 10.608 -1.239 1.00 0.00 O ATOM 0 H GLY A 31 4.484 9.652 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.715 10.536 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.751 9.342 -0.327 1.00 0.00 H new ATOM 490 N HIS A 32 5.919 12.146 -0.795 1.00 0.00 N ATOM 491 CA HIS A 32 5.324 13.164 -1.653 1.00 0.00 C ATOM 492 C HIS A 32 5.272 12.689 -3.102 1.00 0.00 C ATOM 493 O HIS A 32 6.071 11.852 -3.520 1.00 0.00 O ATOM 494 CB HIS A 32 6.118 14.468 -1.559 1.00 0.00 C ATOM 495 CG HIS A 32 5.260 15.694 -1.606 1.00 0.00 C ATOM 496 ND1 HIS A 32 4.611 16.117 -2.746 1.00 0.00 N ATOM 497 CD2 HIS A 32 4.945 16.592 -0.641 1.00 0.00 C ATOM 498 CE1 HIS A 32 3.936 17.222 -2.483 1.00 0.00 C ATOM 499 NE2 HIS A 32 4.121 17.530 -1.213 1.00 0.00 N ATOM 0 H HIS A 32 6.774 12.440 -0.323 1.00 0.00 H new ATOM 0 HA HIS A 32 4.305 13.343 -1.311 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.690 14.470 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.837 14.506 -2.377 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.279 16.573 0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.335 17.778 -3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.717 18.335 -0.734 1.00 0.00 H new ATOM 508 N ASP A 33 4.325 13.228 -3.863 1.00 0.00 N ATOM 509 CA ASP A 33 4.168 12.859 -5.265 1.00 0.00 C ATOM 510 C ASP A 33 5.440 13.155 -6.053 1.00 0.00 C ATOM 511 O ASP A 33 5.745 12.480 -7.036 1.00 0.00 O ATOM 512 CB ASP A 33 2.986 13.609 -5.883 1.00 0.00 C ATOM 513 CG ASP A 33 2.231 12.767 -6.893 1.00 0.00 C ATOM 514 OD1 ASP A 33 2.069 11.553 -6.651 1.00 0.00 O ATOM 515 OD2 ASP A 33 1.801 13.323 -7.925 1.00 0.00 O ATOM 0 H ASP A 33 3.655 13.922 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 33 3.975 11.787 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.304 13.921 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.348 14.516 -6.368 1.00 0.00 H new ATOM 520 N TRP A 34 6.179 14.170 -5.616 1.00 0.00 N ATOM 521 CA TRP A 34 7.418 14.557 -6.281 1.00 0.00 C ATOM 522 C TRP A 34 8.420 13.405 -6.283 1.00 0.00 C ATOM 523 O TRP A 34 9.242 13.287 -7.191 1.00 0.00 O ATOM 524 CB TRP A 34 8.030 15.779 -5.594 1.00 0.00 C ATOM 525 CG TRP A 34 8.678 16.735 -6.548 1.00 0.00 C ATOM 526 CD1 TRP A 34 10.009 16.830 -6.836 1.00 0.00 C ATOM 527 CD2 TRP A 34 8.023 17.732 -7.340 1.00 0.00 C ATOM 528 NE1 TRP A 34 10.222 17.826 -7.758 1.00 0.00 N ATOM 529 CE2 TRP A 34 9.018 18.395 -8.083 1.00 0.00 C ATOM 530 CE3 TRP A 34 6.691 18.130 -7.492 1.00 0.00 C ATOM 531 CZ2 TRP A 34 8.723 19.431 -8.965 1.00 0.00 C ATOM 532 CZ3 TRP A 34 6.400 19.159 -8.367 1.00 0.00 C ATOM 533 CH2 TRP A 34 7.411 19.799 -9.094 1.00 0.00 C ATOM 0 H TRP A 34 5.941 14.739 -4.804 1.00 0.00 H new ATOM 0 HA TRP A 34 7.181 14.810 -7.315 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.251 16.303 -5.039 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.770 15.445 -4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 34 10.782 16.212 -6.402 1.00 0.00 H new ATOM 0 HE1 TRP A 34 11.128 18.098 -8.139 1.00 0.00 H new ATOM 0 HE3 TRP A 34 5.904 17.642 -6.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.501 19.926 -9.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 5.375 19.475 -8.492 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.150 20.599 -9.770 1.00 0.00 H new ATOM 544 N ASP A 35 8.346 12.559 -5.260 1.00 0.00 N ATOM 545 CA ASP A 35 9.248 11.419 -5.145 1.00 0.00 C ATOM 546 C ASP A 35 9.117 10.494 -6.355 1.00 0.00 C ATOM 547 O ASP A 35 8.014 10.266 -6.854 1.00 0.00 O ATOM 548 CB ASP A 35 8.958 10.640 -3.860 1.00 0.00 C ATOM 549 CG ASP A 35 10.222 10.147 -3.185 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.784 10.896 -2.359 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.650 9.012 -3.483 1.00 0.00 O ATOM 0 H ASP A 35 7.671 12.642 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 35 10.269 11.799 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.405 11.277 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.317 9.789 -4.091 1.00 0.00 H new ATOM 556 N PRO A 36 10.244 9.948 -6.847 1.00 0.00 N ATOM 557 CA PRO A 36 10.243 9.048 -8.003 1.00 0.00 C ATOM 558 C PRO A 36 9.592 7.705 -7.692 1.00 0.00 C ATOM 559 O PRO A 36 8.729 7.235 -8.435 1.00 0.00 O ATOM 560 CB PRO A 36 11.730 8.864 -8.317 1.00 0.00 C ATOM 561 CG PRO A 36 12.429 9.132 -7.030 1.00 0.00 C ATOM 562 CD PRO A 36 11.603 10.166 -6.314 1.00 0.00 C ATOM 0 HA PRO A 36 9.668 9.456 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.936 7.856 -8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.058 9.553 -9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.515 8.222 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.442 9.495 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.637 10.029 -5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.958 11.176 -6.519 1.00 0.00 H new ATOM 570 N THR A 37 10.012 7.088 -6.591 1.00 0.00 N ATOM 571 CA THR A 37 9.475 5.802 -6.181 1.00 0.00 C ATOM 572 C THR A 37 7.958 5.867 -6.043 1.00 0.00 C ATOM 573 O THR A 37 7.256 4.894 -6.316 1.00 0.00 O ATOM 574 CB THR A 37 10.102 5.360 -4.859 1.00 0.00 C ATOM 575 OG1 THR A 37 11.514 5.307 -4.968 1.00 0.00 O ATOM 576 CG2 THR A 37 9.626 4.001 -4.396 1.00 0.00 C ATOM 0 H THR A 37 10.726 7.463 -5.967 1.00 0.00 H new ATOM 0 HA THR A 37 9.721 5.071 -6.951 1.00 0.00 H new ATOM 0 HB THR A 37 9.789 6.105 -4.127 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.911 5.292 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.110 3.748 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.545 4.022 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.880 3.252 -5.146 1.00 0.00 H new ATOM 584 N CYS A 38 7.463 7.023 -5.619 1.00 0.00 N ATOM 585 CA CYS A 38 6.030 7.224 -5.445 1.00 0.00 C ATOM 586 C CYS A 38 5.325 7.269 -6.795 1.00 0.00 C ATOM 587 O CYS A 38 4.187 6.816 -6.930 1.00 0.00 O ATOM 588 CB CYS A 38 5.763 8.516 -4.672 1.00 0.00 C ATOM 589 SG CYS A 38 4.338 8.430 -3.562 1.00 0.00 S ATOM 0 H CYS A 38 8.034 7.837 -5.389 1.00 0.00 H new ATOM 0 HA CYS A 38 5.635 6.383 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.649 8.768 -4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.608 9.327 -5.383 1.00 0.00 H new ATOM 0 HG CYS A 38 4.427 9.369 -2.668 1.00 0.00 H new ATOM 595 N MET A 39 6.008 7.817 -7.794 1.00 0.00 N ATOM 596 CA MET A 39 5.450 7.922 -9.137 1.00 0.00 C ATOM 597 C MET A 39 5.563 6.593 -9.876 1.00 0.00 C ATOM 598 O MET A 39 4.686 6.232 -10.660 1.00 0.00 O ATOM 599 CB MET A 39 6.167 9.018 -9.926 1.00 0.00 C ATOM 600 CG MET A 39 5.952 10.413 -9.361 1.00 0.00 C ATOM 601 SD MET A 39 6.747 11.694 -10.351 1.00 0.00 S ATOM 602 CE MET A 39 5.984 11.411 -11.946 1.00 0.00 C ATOM 0 H MET A 39 6.950 8.196 -7.699 1.00 0.00 H new ATOM 0 HA MET A 39 4.395 8.180 -9.046 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.235 8.802 -9.943 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.821 8.996 -10.959 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.883 10.616 -9.302 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.340 10.452 -8.343 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.053 12.317 -12.548 1.00 0.00 H new ATOM 0 HE2 MET A 39 6.498 10.597 -12.456 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.936 11.147 -11.806 1.00 0.00 H new ATOM 612 N LYS A 40 6.647 5.867 -9.618 1.00 0.00 N ATOM 613 CA LYS A 40 6.874 4.577 -10.258 1.00 0.00 C ATOM 614 C LYS A 40 5.810 3.570 -9.839 1.00 0.00 C ATOM 615 O LYS A 40 5.220 2.887 -10.678 1.00 0.00 O ATOM 616 CB LYS A 40 8.264 4.044 -9.903 1.00 0.00 C ATOM 617 CG LYS A 40 9.393 4.989 -10.284 1.00 0.00 C ATOM 618 CD LYS A 40 9.957 4.656 -11.656 1.00 0.00 C ATOM 619 CE LYS A 40 11.460 4.876 -11.708 1.00 0.00 C ATOM 620 NZ LYS A 40 12.130 3.920 -12.631 1.00 0.00 N ATOM 0 H LYS A 40 7.382 6.151 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 40 6.812 4.719 -11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.308 3.852 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.417 3.088 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.027 6.016 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.186 4.930 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.731 3.618 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.471 5.275 -12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.666 5.897 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.878 4.767 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.154 4.103 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.955 2.947 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.750 4.041 -13.592 1.00 0.00 H new ATOM 634 N MET A 41 5.567 3.482 -8.536 1.00 0.00 N ATOM 635 CA MET A 41 4.572 2.560 -8.003 1.00 0.00 C ATOM 636 C MET A 41 3.177 2.916 -8.507 1.00 0.00 C ATOM 637 O MET A 41 2.500 2.094 -9.125 1.00 0.00 O ATOM 638 CB MET A 41 4.595 2.580 -6.473 1.00 0.00 C ATOM 639 CG MET A 41 3.577 1.649 -5.835 1.00 0.00 C ATOM 640 SD MET A 41 1.968 2.430 -5.606 1.00 0.00 S ATOM 641 CE MET A 41 1.250 1.365 -4.358 1.00 0.00 C ATOM 0 H MET A 41 6.046 4.039 -7.829 1.00 0.00 H new ATOM 0 HA MET A 41 4.819 1.557 -8.350 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.592 2.304 -6.130 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.410 3.597 -6.129 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.461 0.762 -6.458 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.954 1.312 -4.869 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.200 1.187 -4.591 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.784 0.415 -4.340 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.329 1.844 -3.382 1.00 0.00 H new ATOM 651 N ASP A 42 2.754 4.146 -8.238 1.00 0.00 N ATOM 652 CA ASP A 42 1.439 4.616 -8.661 1.00 0.00 C ATOM 653 C ASP A 42 1.272 4.494 -10.174 1.00 0.00 C ATOM 654 O ASP A 42 0.184 4.192 -10.665 1.00 0.00 O ATOM 655 CB ASP A 42 1.232 6.068 -8.231 1.00 0.00 C ATOM 656 CG ASP A 42 0.546 6.180 -6.883 1.00 0.00 C ATOM 657 OD1 ASP A 42 0.544 5.182 -6.132 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.010 7.267 -6.579 1.00 0.00 O ATOM 0 H ASP A 42 3.304 4.837 -7.728 1.00 0.00 H new ATOM 0 HA ASP A 42 0.688 3.989 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.197 6.572 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.636 6.585 -8.983 1.00 0.00 H new ATOM 663 N GLU A 43 2.357 4.727 -10.907 1.00 0.00 N ATOM 664 CA GLU A 43 2.328 4.641 -12.364 1.00 0.00 C ATOM 665 C GLU A 43 1.873 3.258 -12.813 1.00 0.00 C ATOM 666 O GLU A 43 1.141 3.121 -13.794 1.00 0.00 O ATOM 667 CB GLU A 43 3.709 4.949 -12.944 1.00 0.00 C ATOM 668 CG GLU A 43 3.915 6.418 -13.280 1.00 0.00 C ATOM 669 CD GLU A 43 5.367 6.756 -13.554 1.00 0.00 C ATOM 670 OE1 GLU A 43 5.841 6.472 -14.675 1.00 0.00 O ATOM 671 OE2 GLU A 43 6.030 7.302 -12.649 1.00 0.00 O ATOM 0 H GLU A 43 3.266 4.976 -10.517 1.00 0.00 H new ATOM 0 HA GLU A 43 1.616 5.379 -12.734 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.471 4.638 -12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.856 4.355 -13.846 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.315 6.675 -14.153 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.553 7.030 -12.454 1.00 0.00 H new ATOM 678 N VAL A 44 2.306 2.236 -12.085 1.00 0.00 N ATOM 679 CA VAL A 44 1.941 0.862 -12.401 1.00 0.00 C ATOM 680 C VAL A 44 0.648 0.469 -11.696 1.00 0.00 C ATOM 681 O VAL A 44 -0.145 -0.310 -12.220 1.00 0.00 O ATOM 682 CB VAL A 44 3.053 -0.125 -11.998 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.760 -1.514 -12.543 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.409 0.370 -12.480 1.00 0.00 C ATOM 0 H VAL A 44 2.912 2.334 -11.270 1.00 0.00 H new ATOM 0 HA VAL A 44 1.799 0.810 -13.480 1.00 0.00 H new ATOM 0 HB VAL A 44 3.080 -0.186 -10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.557 -2.196 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.811 -1.869 -12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.702 -1.473 -13.631 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.181 -0.341 -12.186 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.397 0.464 -13.566 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.621 1.342 -12.034 1.00 0.00 H new ATOM 694 N LEU A 45 0.446 1.018 -10.502 1.00 0.00 N ATOM 695 CA LEU A 45 -0.749 0.735 -9.711 1.00 0.00 C ATOM 696 C LEU A 45 -2.017 0.860 -10.552 1.00 0.00 C ATOM 697 O LEU A 45 -2.938 0.053 -10.428 1.00 0.00 O ATOM 698 CB LEU A 45 -0.825 1.687 -8.516 1.00 0.00 C ATOM 699 CG LEU A 45 -1.566 1.138 -7.296 1.00 0.00 C ATOM 700 CD1 LEU A 45 -3.034 0.910 -7.621 1.00 0.00 C ATOM 701 CD2 LEU A 45 -0.918 -0.152 -6.815 1.00 0.00 C ATOM 0 H LEU A 45 1.098 1.665 -10.058 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.678 -0.293 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.189 1.952 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.314 2.608 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.503 1.874 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.545 0.519 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.492 1.854 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.119 0.193 -8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.458 -0.529 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.950 -0.895 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.119 0.042 -6.541 1.00 0.00 H new ATOM 713 N TYR A 46 -2.059 1.880 -11.402 1.00 0.00 N ATOM 714 CA TYR A 46 -3.217 2.116 -12.258 1.00 0.00 C ATOM 715 C TYR A 46 -3.401 0.986 -13.268 1.00 0.00 C ATOM 716 O TYR A 46 -4.522 0.685 -13.679 1.00 0.00 O ATOM 717 CB TYR A 46 -3.068 3.449 -12.994 1.00 0.00 C ATOM 718 CG TYR A 46 -4.285 3.833 -13.805 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.539 3.922 -13.213 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.180 4.105 -15.164 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.653 4.272 -13.952 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.289 4.456 -15.909 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.524 4.538 -15.299 1.00 0.00 C ATOM 724 OH TYR A 46 -7.631 4.887 -16.037 1.00 0.00 O ATOM 0 H TYR A 46 -1.305 2.557 -11.517 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.100 2.151 -11.620 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.864 4.235 -12.267 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.203 3.394 -13.656 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.645 3.714 -12.158 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.215 4.041 -15.645 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.621 4.337 -13.477 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.190 4.665 -16.964 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.368 5.042 -16.968 1.00 0.00 H new ATOM 734 N SER A 47 -2.297 0.366 -13.670 1.00 0.00 N ATOM 735 CA SER A 47 -2.342 -0.726 -14.638 1.00 0.00 C ATOM 736 C SER A 47 -2.498 -2.078 -13.943 1.00 0.00 C ATOM 737 O SER A 47 -3.021 -3.027 -14.525 1.00 0.00 O ATOM 738 CB SER A 47 -1.076 -0.726 -15.496 1.00 0.00 C ATOM 739 OG SER A 47 0.009 -1.323 -14.806 1.00 0.00 O ATOM 0 H SER A 47 -1.360 0.600 -13.341 1.00 0.00 H new ATOM 0 HA SER A 47 -3.211 -0.569 -15.277 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.262 -1.266 -16.424 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.818 0.297 -15.769 1.00 0.00 H new ATOM 0 HG SER A 47 0.019 -1.008 -13.878 1.00 0.00 H new ATOM 745 N ILE A 48 -2.036 -2.158 -12.700 1.00 0.00 N ATOM 746 CA ILE A 48 -2.122 -3.394 -11.932 1.00 0.00 C ATOM 747 C ILE A 48 -3.147 -3.277 -10.808 1.00 0.00 C ATOM 748 O ILE A 48 -3.010 -3.912 -9.762 1.00 0.00 O ATOM 749 CB ILE A 48 -0.756 -3.775 -11.327 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.111 -2.559 -10.654 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.162 -4.340 -12.402 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.505 -2.870 -9.309 1.00 0.00 C ATOM 0 H ILE A 48 -1.598 -1.382 -12.203 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.436 -4.174 -12.625 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.914 -4.543 -10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.658 -2.155 -11.312 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.864 -1.781 -10.529 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.122 -4.604 -11.959 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.293 -5.229 -12.838 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.315 -3.592 -13.180 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.943 -1.964 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.264 -3.246 -8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.281 -3.625 -9.430 1.00 0.00 H new ATOM 764 N ALA A 49 -4.173 -2.463 -11.032 1.00 0.00 N ATOM 765 CA ALA A 49 -5.221 -2.264 -10.038 1.00 0.00 C ATOM 766 C ALA A 49 -6.509 -2.970 -10.450 1.00 0.00 C ATOM 767 O ALA A 49 -7.049 -3.784 -9.701 1.00 0.00 O ATOM 768 CB ALA A 49 -5.476 -0.778 -9.829 1.00 0.00 C ATOM 0 H ALA A 49 -4.301 -1.931 -11.893 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.883 -2.699 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.261 -0.645 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.561 -0.297 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.789 -0.327 -10.771 1.00 0.00 H new ATOM 774 N GLU A 50 -6.997 -2.649 -11.645 1.00 0.00 N ATOM 775 CA GLU A 50 -8.222 -3.245 -12.162 1.00 0.00 C ATOM 776 C GLU A 50 -8.209 -4.765 -12.013 1.00 0.00 C ATOM 777 O GLU A 50 -9.260 -5.397 -11.900 1.00 0.00 O ATOM 778 CB GLU A 50 -8.413 -2.869 -13.633 1.00 0.00 C ATOM 779 CG GLU A 50 -9.866 -2.638 -14.019 1.00 0.00 C ATOM 780 CD GLU A 50 -10.008 -1.890 -15.329 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.067 -1.159 -15.701 1.00 0.00 O ATOM 782 OE2 GLU A 50 -11.063 -2.035 -15.984 1.00 0.00 O ATOM 0 H GLU A 50 -6.560 -1.976 -12.275 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.054 -2.854 -11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.841 -1.966 -13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.001 -3.661 -14.258 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.375 -3.599 -14.096 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.363 -2.076 -13.228 1.00 0.00 H new ATOM 789 N LYS A 51 -7.013 -5.346 -12.018 1.00 0.00 N ATOM 790 CA LYS A 51 -6.862 -6.792 -11.886 1.00 0.00 C ATOM 791 C LYS A 51 -7.563 -7.307 -10.631 1.00 0.00 C ATOM 792 O LYS A 51 -8.034 -8.444 -10.594 1.00 0.00 O ATOM 793 CB LYS A 51 -5.379 -7.168 -11.851 1.00 0.00 C ATOM 794 CG LYS A 51 -5.002 -8.245 -12.855 1.00 0.00 C ATOM 795 CD LYS A 51 -3.574 -8.724 -12.648 1.00 0.00 C ATOM 796 CE LYS A 51 -2.920 -9.110 -13.964 1.00 0.00 C ATOM 797 NZ LYS A 51 -1.444 -8.917 -13.929 1.00 0.00 N ATOM 0 H LYS A 51 -6.134 -4.838 -12.112 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.329 -7.260 -12.753 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.782 -6.277 -12.045 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.123 -7.511 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.687 -9.088 -12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.113 -7.856 -13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.991 -7.938 -12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.570 -9.580 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.144 -10.153 -14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.345 -8.512 -14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.167 -8.224 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.162 -8.569 -12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.971 -9.824 -14.118 1.00 0.00 H new ATOM 811 N VAL A 52 -7.627 -6.466 -9.604 1.00 0.00 N ATOM 812 CA VAL A 52 -8.269 -6.843 -8.348 1.00 0.00 C ATOM 813 C VAL A 52 -8.981 -5.653 -7.709 1.00 0.00 C ATOM 814 O VAL A 52 -9.252 -5.653 -6.509 1.00 0.00 O ATOM 815 CB VAL A 52 -7.251 -7.413 -7.340 1.00 0.00 C ATOM 816 CG1 VAL A 52 -7.961 -8.206 -6.256 1.00 0.00 C ATOM 817 CG2 VAL A 52 -6.215 -8.277 -8.046 1.00 0.00 C ATOM 0 H VAL A 52 -7.243 -5.521 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.000 -7.614 -8.593 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.732 -6.577 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.227 -8.601 -5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.657 -7.556 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.510 -9.032 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.508 -8.668 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.714 -9.106 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.681 -7.676 -8.782 1.00 0.00 H new ATOM 827 N LYS A 53 -9.277 -4.637 -8.516 1.00 0.00 N ATOM 828 CA LYS A 53 -9.952 -3.441 -8.032 1.00 0.00 C ATOM 829 C LYS A 53 -11.226 -3.791 -7.265 1.00 0.00 C ATOM 830 O LYS A 53 -11.677 -3.025 -6.413 1.00 0.00 O ATOM 831 CB LYS A 53 -10.286 -2.512 -9.200 1.00 0.00 C ATOM 832 CG LYS A 53 -10.961 -1.219 -8.774 1.00 0.00 C ATOM 833 CD LYS A 53 -10.542 -0.055 -9.659 1.00 0.00 C ATOM 834 CE LYS A 53 -9.255 0.585 -9.164 1.00 0.00 C ATOM 835 NZ LYS A 53 -9.462 1.343 -7.900 1.00 0.00 N ATOM 0 H LYS A 53 -9.058 -4.621 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.274 -2.931 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.368 -2.273 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.936 -3.039 -9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.043 -1.340 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.707 -0.999 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.406 -0.405 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.336 0.691 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.503 -0.188 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.865 1.256 -9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.679 2.014 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.360 1.865 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.492 0.680 -7.099 1.00 0.00 H new ATOM 849 N ASN A 54 -11.804 -4.948 -7.575 1.00 0.00 N ATOM 850 CA ASN A 54 -13.028 -5.391 -6.916 1.00 0.00 C ATOM 851 C ASN A 54 -12.719 -6.291 -5.722 1.00 0.00 C ATOM 852 O ASN A 54 -13.389 -7.299 -5.503 1.00 0.00 O ATOM 853 CB ASN A 54 -13.925 -6.132 -7.909 1.00 0.00 C ATOM 854 CG ASN A 54 -15.400 -5.907 -7.637 1.00 0.00 C ATOM 855 OD1 ASN A 54 -15.847 -5.968 -6.492 1.00 0.00 O ATOM 856 ND2 ASN A 54 -16.162 -5.644 -8.692 1.00 0.00 N ATOM 0 H ASN A 54 -11.445 -5.595 -8.277 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.550 -4.507 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.691 -5.803 -8.921 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.709 -7.199 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.162 -5.483 -8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.747 -5.603 -9.623 1.00 0.00 H new ATOM 863 N PHE A 55 -11.703 -5.918 -4.949 1.00 0.00 N ATOM 864 CA PHE A 55 -11.313 -6.692 -3.776 1.00 0.00 C ATOM 865 C PHE A 55 -10.355 -5.899 -2.896 1.00 0.00 C ATOM 866 O PHE A 55 -10.487 -5.881 -1.673 1.00 0.00 O ATOM 867 CB PHE A 55 -10.665 -8.010 -4.201 1.00 0.00 C ATOM 868 CG PHE A 55 -11.651 -9.124 -4.414 1.00 0.00 C ATOM 869 CD1 PHE A 55 -12.663 -9.357 -3.495 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.568 -9.936 -5.533 1.00 0.00 C ATOM 871 CE1 PHE A 55 -13.571 -10.380 -3.689 1.00 0.00 C ATOM 872 CE2 PHE A 55 -12.474 -10.960 -5.732 1.00 0.00 C ATOM 873 CZ PHE A 55 -13.477 -11.183 -4.809 1.00 0.00 C ATOM 0 H PHE A 55 -11.136 -5.086 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 55 -12.212 -6.909 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.106 -7.850 -5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.945 -8.313 -3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.742 -8.732 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.786 -9.767 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -14.354 -10.552 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.398 -11.586 -6.609 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.186 -11.983 -4.963 1.00 0.00 H new ATOM 883 N ALA A 56 -9.392 -5.245 -3.530 1.00 0.00 N ATOM 884 CA ALA A 56 -8.407 -4.445 -2.812 1.00 0.00 C ATOM 885 C ALA A 56 -8.524 -2.971 -3.183 1.00 0.00 C ATOM 886 O ALA A 56 -9.082 -2.626 -4.224 1.00 0.00 O ATOM 887 CB ALA A 56 -7.004 -4.953 -3.100 1.00 0.00 C ATOM 0 H ALA A 56 -9.271 -5.252 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.604 -4.542 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.279 -4.346 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.920 -5.992 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.805 -4.886 -4.170 1.00 0.00 H new ATOM 893 N VAL A 57 -7.997 -2.107 -2.324 1.00 0.00 N ATOM 894 CA VAL A 57 -8.045 -0.671 -2.562 1.00 0.00 C ATOM 895 C VAL A 57 -6.734 -0.003 -2.156 1.00 0.00 C ATOM 896 O VAL A 57 -6.272 -0.156 -1.026 1.00 0.00 O ATOM 897 CB VAL A 57 -9.212 -0.019 -1.795 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.089 -0.291 -0.304 1.00 0.00 C ATOM 899 CG2 VAL A 57 -9.274 1.477 -2.071 1.00 0.00 C ATOM 0 H VAL A 57 -7.532 -2.376 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.200 -0.526 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.143 -0.463 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.922 0.177 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.107 -1.366 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.150 0.121 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.106 1.915 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.342 1.944 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.419 1.644 -3.138 1.00 0.00 H new ATOM 909 N ILE A 58 -6.140 0.735 -3.088 1.00 0.00 N ATOM 910 CA ILE A 58 -4.881 1.424 -2.833 1.00 0.00 C ATOM 911 C ILE A 58 -5.106 2.918 -2.618 1.00 0.00 C ATOM 912 O ILE A 58 -6.138 3.461 -3.008 1.00 0.00 O ATOM 913 CB ILE A 58 -3.892 1.228 -3.999 1.00 0.00 C ATOM 914 CG1 ILE A 58 -3.819 -0.248 -4.394 1.00 0.00 C ATOM 915 CG2 ILE A 58 -2.513 1.749 -3.624 1.00 0.00 C ATOM 916 CD1 ILE A 58 -4.777 -0.625 -5.502 1.00 0.00 C ATOM 0 H ILE A 58 -6.511 0.871 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.458 0.990 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.252 1.798 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.802 -0.482 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.030 -0.861 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.829 1.602 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.577 2.812 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.144 1.207 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.670 -1.686 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.800 -0.423 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.552 -0.038 -6.393 1.00 0.00 H new ATOM 928 N TYR A 59 -4.125 3.578 -2.008 1.00 0.00 N ATOM 929 CA TYR A 59 -4.201 4.999 -1.750 1.00 0.00 C ATOM 930 C TYR A 59 -2.813 5.582 -1.507 1.00 0.00 C ATOM 931 O TYR A 59 -1.847 4.846 -1.300 1.00 0.00 O ATOM 932 CB TYR A 59 -5.107 5.292 -0.551 1.00 0.00 C ATOM 933 CG TYR A 59 -6.565 4.972 -0.789 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.287 5.622 -1.782 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.221 4.020 -0.017 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.621 5.333 -1.998 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.554 3.725 -0.229 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.249 4.384 -1.220 1.00 0.00 C ATOM 939 OH TYR A 59 -10.578 4.095 -1.433 1.00 0.00 O ATOM 0 H TYR A 59 -3.263 3.139 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.630 5.472 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.755 4.718 0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.015 6.346 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.798 6.365 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.680 3.503 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.169 5.848 -2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.049 2.982 0.379 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.797 4.238 -2.377 1.00 0.00 H new ATOM 949 N LEU A 60 -2.722 6.907 -1.534 1.00 0.00 N ATOM 950 CA LEU A 60 -1.451 7.591 -1.315 1.00 0.00 C ATOM 951 C LEU A 60 -1.480 8.383 -0.013 1.00 0.00 C ATOM 952 O LEU A 60 -2.519 8.914 0.379 1.00 0.00 O ATOM 953 CB LEU A 60 -1.143 8.525 -2.488 1.00 0.00 C ATOM 954 CG LEU A 60 -0.700 7.826 -3.774 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.669 7.188 -3.590 1.00 0.00 C ATOM 956 CD2 LEU A 60 -1.725 6.783 -4.194 1.00 0.00 C ATOM 0 H LEU A 60 -3.512 7.529 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.667 6.838 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.032 9.118 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.361 9.221 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.627 8.573 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.968 6.695 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.398 7.958 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.623 6.453 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.393 6.296 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.831 6.038 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.686 7.267 -4.367 1.00 0.00 H new ATOM 968 N VAL A 61 -0.333 8.458 0.654 1.00 0.00 N ATOM 969 CA VAL A 61 -0.227 9.185 1.914 1.00 0.00 C ATOM 970 C VAL A 61 0.849 10.262 1.839 1.00 0.00 C ATOM 971 O VAL A 61 2.015 9.975 1.560 1.00 0.00 O ATOM 972 CB VAL A 61 0.091 8.237 3.085 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.015 8.972 4.412 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.834 7.030 3.061 1.00 0.00 C ATOM 0 H VAL A 61 0.536 8.024 0.343 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.195 9.655 2.090 1.00 0.00 H new ATOM 0 HB VAL A 61 1.116 7.883 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.213 8.286 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.693 9.801 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.027 9.357 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.594 6.371 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.868 7.363 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.703 6.490 2.123 1.00 0.00 H new ATOM 984 N ASP A 62 0.450 11.505 2.091 1.00 0.00 N ATOM 985 CA ASP A 62 1.377 12.629 2.054 1.00 0.00 C ATOM 986 C ASP A 62 2.224 12.681 3.320 1.00 0.00 C ATOM 987 O ASP A 62 1.703 12.863 4.422 1.00 0.00 O ATOM 988 CB ASP A 62 0.612 13.942 1.884 1.00 0.00 C ATOM 989 CG ASP A 62 0.338 14.269 0.429 1.00 0.00 C ATOM 990 OD1 ASP A 62 1.216 13.993 -0.416 1.00 0.00 O ATOM 991 OD2 ASP A 62 -0.754 14.800 0.135 1.00 0.00 O ATOM 0 H ASP A 62 -0.510 11.759 2.323 1.00 0.00 H new ATOM 0 HA ASP A 62 2.042 12.490 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.333 13.881 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.184 14.753 2.334 1.00 0.00 H new ATOM 996 N ILE A 63 3.534 12.526 3.154 1.00 0.00 N ATOM 997 CA ILE A 63 4.460 12.559 4.280 1.00 0.00 C ATOM 998 C ILE A 63 4.803 13.999 4.655 1.00 0.00 C ATOM 999 O ILE A 63 5.969 14.395 4.664 1.00 0.00 O ATOM 1000 CB ILE A 63 5.755 11.780 3.961 1.00 0.00 C ATOM 1001 CG1 ILE A 63 6.736 11.852 5.134 1.00 0.00 C ATOM 1002 CG2 ILE A 63 6.395 12.316 2.690 1.00 0.00 C ATOM 1003 CD1 ILE A 63 7.397 10.528 5.451 1.00 0.00 C ATOM 0 H ILE A 63 3.979 12.376 2.248 1.00 0.00 H new ATOM 0 HA ILE A 63 3.966 12.079 5.125 1.00 0.00 H new ATOM 0 HB ILE A 63 5.496 10.733 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.507 12.589 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.207 12.206 6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.307 11.757 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.700 12.205 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.638 13.370 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.079 10.654 6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.634 9.793 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.955 10.182 4.581 1.00 0.00 H new ATOM 1015 N THR A 64 3.773 14.777 4.964 1.00 0.00 N ATOM 1016 CA THR A 64 3.950 16.174 5.342 1.00 0.00 C ATOM 1017 C THR A 64 2.700 16.703 6.036 1.00 0.00 C ATOM 1018 O THR A 64 2.782 17.353 7.079 1.00 0.00 O ATOM 1019 CB THR A 64 4.262 17.023 4.107 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.419 16.543 3.448 1.00 0.00 O ATOM 1021 CG2 THR A 64 4.489 18.484 4.427 1.00 0.00 C ATOM 0 H THR A 64 2.803 14.463 4.960 1.00 0.00 H new ATOM 0 HA THR A 64 4.788 16.238 6.036 1.00 0.00 H new ATOM 0 HB THR A 64 3.382 16.940 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.921 15.957 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.705 19.028 3.508 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.594 18.898 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.331 18.580 5.112 1.00 0.00 H new ATOM 1029 N GLU A 65 1.542 16.415 5.451 1.00 0.00 N ATOM 1030 CA GLU A 65 0.270 16.856 6.011 1.00 0.00 C ATOM 1031 C GLU A 65 -0.291 15.815 6.974 1.00 0.00 C ATOM 1032 O GLU A 65 -0.993 16.152 7.927 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.736 17.129 4.891 1.00 0.00 C ATOM 1034 CG GLU A 65 -2.078 17.638 5.392 1.00 0.00 C ATOM 1035 CD GLU A 65 -2.219 19.141 5.254 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -2.351 19.623 4.110 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.198 19.837 6.292 1.00 0.00 O ATOM 0 H GLU A 65 1.458 15.877 4.588 1.00 0.00 H new ATOM 0 HA GLU A 65 0.445 17.778 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.312 17.861 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.893 16.212 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.878 17.149 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.200 17.360 6.439 1.00 0.00 H new ATOM 1044 N VAL A 66 0.018 14.546 6.718 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.462 13.459 7.564 1.00 0.00 C ATOM 1046 C VAL A 66 0.415 13.281 8.804 1.00 0.00 C ATOM 1047 O VAL A 66 -0.099 13.151 9.916 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.521 12.124 6.795 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.247 11.070 7.617 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.191 12.315 5.441 1.00 0.00 C ATOM 0 H VAL A 66 0.597 14.247 5.933 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.469 13.735 7.876 1.00 0.00 H new ATOM 0 HB VAL A 66 0.498 11.778 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.280 10.134 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.719 10.914 8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.263 11.406 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.223 11.362 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.206 12.684 5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.624 13.036 4.853 1.00 0.00 H new ATOM 1060 N PRO A 67 1.751 13.271 8.638 1.00 0.00 N ATOM 1061 CA PRO A 67 2.680 13.106 9.762 1.00 0.00 C ATOM 1062 C PRO A 67 2.376 14.058 10.913 1.00 0.00 C ATOM 1063 O PRO A 67 1.970 15.201 10.698 1.00 0.00 O ATOM 1064 CB PRO A 67 4.041 13.433 9.149 1.00 0.00 C ATOM 1065 CG PRO A 67 3.892 13.110 7.703 1.00 0.00 C ATOM 1066 CD PRO A 67 2.463 13.420 7.352 1.00 0.00 C ATOM 0 HA PRO A 67 2.619 12.107 10.195 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.300 14.482 9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.834 12.842 9.607 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.579 13.702 7.099 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.122 12.062 7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.358 14.428 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.077 12.734 6.598 1.00 0.00 H new ATOM 1074 N ASP A 68 2.576 13.579 12.136 1.00 0.00 N ATOM 1075 CA ASP A 68 2.325 14.388 13.324 1.00 0.00 C ATOM 1076 C ASP A 68 3.510 15.303 13.620 1.00 0.00 C ATOM 1077 O ASP A 68 3.343 16.394 14.165 1.00 0.00 O ATOM 1078 CB ASP A 68 2.047 13.488 14.530 1.00 0.00 C ATOM 1079 CG ASP A 68 1.085 14.121 15.515 1.00 0.00 C ATOM 1080 OD1 ASP A 68 1.101 15.363 15.645 1.00 0.00 O ATOM 1081 OD2 ASP A 68 0.315 13.375 16.155 1.00 0.00 O ATOM 0 H ASP A 68 2.911 12.635 12.331 1.00 0.00 H new ATOM 0 HA ASP A 68 1.449 15.008 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.637 12.539 14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.986 13.264 15.036 1.00 0.00 H new ATOM 1086 N PHE A 69 4.707 14.852 13.259 1.00 0.00 N ATOM 1087 CA PHE A 69 5.919 15.630 13.487 1.00 0.00 C ATOM 1088 C PHE A 69 6.673 15.861 12.180 1.00 0.00 C ATOM 1089 O PHE A 69 7.717 15.255 11.938 1.00 0.00 O ATOM 1090 CB PHE A 69 6.826 14.919 14.494 1.00 0.00 C ATOM 1091 CG PHE A 69 6.559 15.309 15.920 1.00 0.00 C ATOM 1092 CD1 PHE A 69 5.314 15.093 16.490 1.00 0.00 C ATOM 1093 CD2 PHE A 69 7.554 15.888 16.690 1.00 0.00 C ATOM 1094 CE1 PHE A 69 5.067 15.451 17.802 1.00 0.00 C ATOM 1095 CE2 PHE A 69 7.313 16.248 18.003 1.00 0.00 C ATOM 1096 CZ PHE A 69 6.067 16.029 18.560 1.00 0.00 C ATOM 0 H PHE A 69 4.863 13.951 12.807 1.00 0.00 H new ATOM 0 HA PHE A 69 5.627 16.599 13.893 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.697 13.842 14.390 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.866 15.140 14.254 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.529 14.640 15.903 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.530 16.060 16.260 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.092 15.279 18.234 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.097 16.700 18.593 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.876 16.309 19.585 1.00 0.00 H new ATOM 1106 N ASN A 70 6.136 16.743 11.342 1.00 0.00 N ATOM 1107 CA ASN A 70 6.756 17.056 10.058 1.00 0.00 C ATOM 1108 C ASN A 70 7.012 18.558 9.917 1.00 0.00 C ATOM 1109 O ASN A 70 7.501 19.016 8.885 1.00 0.00 O ATOM 1110 CB ASN A 70 5.867 16.566 8.912 1.00 0.00 C ATOM 1111 CG ASN A 70 6.374 15.277 8.296 1.00 0.00 C ATOM 1112 OD1 ASN A 70 6.435 15.140 7.075 1.00 0.00 O ATOM 1113 ND2 ASN A 70 6.743 14.321 9.142 1.00 0.00 N ATOM 0 H ASN A 70 5.273 17.254 11.529 1.00 0.00 H new ATOM 0 HA ASN A 70 7.717 16.543 10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.853 16.414 9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.813 17.336 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.093 13.432 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.676 14.476 10.148 1.00 0.00 H new ATOM 1120 N LYS A 71 6.682 19.322 10.956 1.00 0.00 N ATOM 1121 CA LYS A 71 6.884 20.766 10.934 1.00 0.00 C ATOM 1122 C LYS A 71 8.364 21.112 11.048 1.00 0.00 C ATOM 1123 O LYS A 71 8.851 22.031 10.390 1.00 0.00 O ATOM 1124 CB LYS A 71 6.104 21.429 12.071 1.00 0.00 C ATOM 1125 CG LYS A 71 5.519 22.782 11.702 1.00 0.00 C ATOM 1126 CD LYS A 71 6.596 23.740 11.217 1.00 0.00 C ATOM 1127 CE LYS A 71 6.027 25.121 10.935 1.00 0.00 C ATOM 1128 NZ LYS A 71 5.633 25.826 12.186 1.00 0.00 N ATOM 0 H LYS A 71 6.275 18.965 11.820 1.00 0.00 H new ATOM 0 HA LYS A 71 6.515 21.144 9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.296 20.766 12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.764 21.550 12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.766 22.654 10.924 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.013 23.209 12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.382 23.816 11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.057 23.343 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.767 25.716 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.160 25.030 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.427 26.823 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.786 25.375 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.411 25.773 12.874 1.00 0.00 H new ATOM 1142 N MET A 72 9.076 20.366 11.888 1.00 0.00 N ATOM 1143 CA MET A 72 10.503 20.591 12.090 1.00 0.00 C ATOM 1144 C MET A 72 11.338 19.611 11.269 1.00 0.00 C ATOM 1145 O MET A 72 12.521 19.843 11.024 1.00 0.00 O ATOM 1146 CB MET A 72 10.855 20.459 13.573 1.00 0.00 C ATOM 1147 CG MET A 72 10.689 21.751 14.355 1.00 0.00 C ATOM 1148 SD MET A 72 9.034 21.938 15.044 1.00 0.00 S ATOM 1149 CE MET A 72 9.411 22.129 16.784 1.00 0.00 C ATOM 0 H MET A 72 8.688 19.601 12.439 1.00 0.00 H new ATOM 0 HA MET A 72 10.734 21.602 11.754 1.00 0.00 H new ATOM 0 HB2 MET A 72 10.225 19.690 14.020 1.00 0.00 H new ATOM 0 HB3 MET A 72 11.887 20.119 13.664 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.420 21.778 15.163 1.00 0.00 H new ATOM 0 HG3 MET A 72 10.904 22.597 13.702 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.485 22.255 17.345 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.934 21.243 17.142 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.043 23.006 16.925 1.00 0.00 H new ATOM 1159 N TYR A 73 10.715 18.514 10.843 1.00 0.00 N ATOM 1160 CA TYR A 73 11.403 17.503 10.051 1.00 0.00 C ATOM 1161 C TYR A 73 10.466 16.906 9.005 1.00 0.00 C ATOM 1162 O TYR A 73 10.341 15.686 8.892 1.00 0.00 O ATOM 1163 CB TYR A 73 11.949 16.398 10.959 1.00 0.00 C ATOM 1164 CG TYR A 73 13.251 15.802 10.472 1.00 0.00 C ATOM 1165 CD1 TYR A 73 14.334 16.613 10.157 1.00 0.00 C ATOM 1166 CD2 TYR A 73 13.396 14.428 10.326 1.00 0.00 C ATOM 1167 CE1 TYR A 73 15.524 16.071 9.711 1.00 0.00 C ATOM 1168 CE2 TYR A 73 14.583 13.879 9.882 1.00 0.00 C ATOM 1169 CZ TYR A 73 15.644 14.704 9.576 1.00 0.00 C ATOM 1170 OH TYR A 73 16.828 14.162 9.132 1.00 0.00 O ATOM 0 H TYR A 73 9.735 18.305 11.034 1.00 0.00 H new ATOM 0 HA TYR A 73 12.236 17.981 9.536 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.096 16.802 11.961 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.205 15.606 11.041 1.00 0.00 H new ATOM 0 HD1 TYR A 73 14.244 17.684 10.262 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.567 13.778 10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.356 16.715 9.469 1.00 0.00 H new ATOM 0 HE2 TYR A 73 14.679 12.809 9.775 1.00 0.00 H new ATOM 0 HH TYR A 73 16.747 13.186 9.094 1.00 0.00 H new ATOM 1180 N GLU A 74 9.806 17.779 8.247 1.00 0.00 N ATOM 1181 CA GLU A 74 8.872 17.354 7.207 1.00 0.00 C ATOM 1182 C GLU A 74 9.424 16.179 6.406 1.00 0.00 C ATOM 1183 O GLU A 74 8.685 15.276 6.013 1.00 0.00 O ATOM 1184 CB GLU A 74 8.563 18.521 6.267 1.00 0.00 C ATOM 1185 CG GLU A 74 7.361 18.278 5.369 1.00 0.00 C ATOM 1186 CD GLU A 74 7.732 18.220 3.899 1.00 0.00 C ATOM 1187 OE1 GLU A 74 8.160 17.142 3.437 1.00 0.00 O ATOM 1188 OE2 GLU A 74 7.594 19.254 3.211 1.00 0.00 O ATOM 0 H GLU A 74 9.902 18.791 8.335 1.00 0.00 H new ATOM 0 HA GLU A 74 7.955 17.029 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.387 19.418 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.437 18.717 5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.881 17.342 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.630 19.072 5.524 1.00 0.00 H new ATOM 1195 N LEU A 75 10.730 16.201 6.170 1.00 0.00 N ATOM 1196 CA LEU A 75 11.389 15.139 5.418 1.00 0.00 C ATOM 1197 C LEU A 75 11.873 14.032 6.349 1.00 0.00 C ATOM 1198 O LEU A 75 11.999 14.233 7.558 1.00 0.00 O ATOM 1199 CB LEU A 75 12.567 15.705 4.623 1.00 0.00 C ATOM 1200 CG LEU A 75 12.189 16.404 3.316 1.00 0.00 C ATOM 1201 CD1 LEU A 75 11.676 17.809 3.592 1.00 0.00 C ATOM 1202 CD2 LEU A 75 13.382 16.446 2.372 1.00 0.00 C ATOM 0 H LEU A 75 11.354 16.942 6.488 1.00 0.00 H new ATOM 0 HA LEU A 75 10.663 14.714 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.105 16.413 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.257 14.892 4.396 1.00 0.00 H new ATOM 0 HG LEU A 75 11.391 15.835 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.412 18.291 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.795 17.756 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.453 18.388 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.096 16.946 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.199 16.992 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.706 15.429 2.149 1.00 0.00 H new ATOM 1214 N TYR A 76 12.148 12.864 5.778 1.00 0.00 N ATOM 1215 CA TYR A 76 12.623 11.724 6.554 1.00 0.00 C ATOM 1216 C TYR A 76 12.885 10.523 5.646 1.00 0.00 C ATOM 1217 O TYR A 76 14.021 10.276 5.243 1.00 0.00 O ATOM 1218 CB TYR A 76 11.609 11.361 7.645 1.00 0.00 C ATOM 1219 CG TYR A 76 11.979 10.124 8.434 1.00 0.00 C ATOM 1220 CD1 TYR A 76 13.026 10.147 9.346 1.00 0.00 C ATOM 1221 CD2 TYR A 76 11.280 8.936 8.267 1.00 0.00 C ATOM 1222 CE1 TYR A 76 13.366 9.019 10.070 1.00 0.00 C ATOM 1223 CE2 TYR A 76 11.615 7.804 8.986 1.00 0.00 C ATOM 1224 CZ TYR A 76 12.659 7.851 9.886 1.00 0.00 C ATOM 1225 OH TYR A 76 12.994 6.727 10.604 1.00 0.00 O ATOM 0 H TYR A 76 12.050 12.682 4.779 1.00 0.00 H new ATOM 0 HA TYR A 76 13.563 12.002 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.510 12.202 8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.633 11.209 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.584 11.060 9.492 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.461 8.896 7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 76 14.182 9.053 10.777 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.062 6.887 8.844 1.00 0.00 H new ATOM 0 HH TYR A 76 12.397 5.991 10.356 1.00 0.00 H new ATOM 1235 N ASP A 77 11.829 9.779 5.326 1.00 0.00 N ATOM 1236 CA ASP A 77 11.953 8.610 4.465 1.00 0.00 C ATOM 1237 C ASP A 77 11.764 8.992 2.999 1.00 0.00 C ATOM 1238 O ASP A 77 10.924 9.831 2.673 1.00 0.00 O ATOM 1239 CB ASP A 77 10.927 7.547 4.864 1.00 0.00 C ATOM 1240 CG ASP A 77 11.502 6.144 4.827 1.00 0.00 C ATOM 1241 OD1 ASP A 77 12.124 5.731 5.828 1.00 0.00 O ATOM 1242 OD2 ASP A 77 11.331 5.460 3.796 1.00 0.00 O ATOM 0 H ASP A 77 10.880 9.966 5.650 1.00 0.00 H new ATOM 0 HA ASP A 77 12.956 8.202 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.560 7.760 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.070 7.603 4.193 1.00 0.00 H new ATOM 1247 N PRO A 78 12.541 8.379 2.088 1.00 0.00 N ATOM 1248 CA PRO A 78 12.446 8.664 0.653 1.00 0.00 C ATOM 1249 C PRO A 78 11.128 8.182 0.058 1.00 0.00 C ATOM 1250 O PRO A 78 10.453 8.918 -0.661 1.00 0.00 O ATOM 1251 CB PRO A 78 13.621 7.887 0.052 1.00 0.00 C ATOM 1252 CG PRO A 78 13.900 6.799 1.030 1.00 0.00 C ATOM 1253 CD PRO A 78 13.568 7.362 2.384 1.00 0.00 C ATOM 0 HA PRO A 78 12.480 9.734 0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.367 7.482 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.491 8.529 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.296 5.917 0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.944 6.489 0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.190 6.593 3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.443 7.802 2.862 1.00 0.00 H new ATOM 1261 N CYS A 79 10.768 6.939 0.366 1.00 0.00 N ATOM 1262 CA CYS A 79 9.529 6.350 -0.133 1.00 0.00 C ATOM 1263 C CYS A 79 9.428 4.885 0.279 1.00 0.00 C ATOM 1264 O CYS A 79 10.437 4.241 0.566 1.00 0.00 O ATOM 1265 CB CYS A 79 9.454 6.472 -1.657 1.00 0.00 C ATOM 1266 SG CYS A 79 8.294 7.731 -2.240 1.00 0.00 S ATOM 0 H CYS A 79 11.318 6.319 0.960 1.00 0.00 H new ATOM 0 HA CYS A 79 8.692 6.895 0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 79 10.447 6.702 -2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.166 5.507 -2.074 1.00 0.00 H new ATOM 0 HG CYS A 79 8.510 8.846 -1.608 1.00 0.00 H new ATOM 1272 N THR A 80 8.205 4.363 0.305 1.00 0.00 N ATOM 1273 CA THR A 80 7.977 2.972 0.681 1.00 0.00 C ATOM 1274 C THR A 80 6.498 2.616 0.590 1.00 0.00 C ATOM 1275 O THR A 80 5.632 3.433 0.905 1.00 0.00 O ATOM 1276 CB THR A 80 8.478 2.712 2.101 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.374 1.336 2.422 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.712 3.486 3.153 1.00 0.00 C ATOM 0 H THR A 80 7.358 4.881 0.071 1.00 0.00 H new ATOM 0 HA THR A 80 8.532 2.345 -0.017 1.00 0.00 H new ATOM 0 HB THR A 80 9.516 3.044 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.701 1.187 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.116 3.258 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.808 4.555 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.660 3.204 3.118 1.00 0.00 H new ATOM 1286 N VAL A 81 6.214 1.391 0.163 1.00 0.00 N ATOM 1287 CA VAL A 81 4.843 0.927 0.037 1.00 0.00 C ATOM 1288 C VAL A 81 4.476 -0.030 1.170 1.00 0.00 C ATOM 1289 O VAL A 81 5.330 -0.753 1.686 1.00 0.00 O ATOM 1290 CB VAL A 81 4.625 0.231 -1.320 1.00 0.00 C ATOM 1291 CG1 VAL A 81 5.283 -1.144 -1.343 1.00 0.00 C ATOM 1292 CG2 VAL A 81 3.141 0.129 -1.639 1.00 0.00 C ATOM 0 H VAL A 81 6.918 0.702 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 81 4.195 1.802 0.098 1.00 0.00 H new ATOM 0 HB VAL A 81 5.098 0.839 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.113 -1.612 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.355 -1.037 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.852 -1.767 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.009 -0.366 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.641 -0.449 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.709 1.129 -1.682 1.00 0.00 H new ATOM 1302 N MET A 82 3.203 -0.028 1.552 1.00 0.00 N ATOM 1303 CA MET A 82 2.726 -0.895 2.622 1.00 0.00 C ATOM 1304 C MET A 82 1.302 -1.368 2.345 1.00 0.00 C ATOM 1305 O MET A 82 0.597 -0.788 1.520 1.00 0.00 O ATOM 1306 CB MET A 82 2.780 -0.162 3.963 1.00 0.00 C ATOM 1307 CG MET A 82 4.190 0.020 4.501 1.00 0.00 C ATOM 1308 SD MET A 82 4.225 0.280 6.284 1.00 0.00 S ATOM 1309 CE MET A 82 5.833 -0.391 6.695 1.00 0.00 C ATOM 0 H MET A 82 2.484 0.564 1.136 1.00 0.00 H new ATOM 0 HA MET A 82 3.378 -1.768 2.666 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.314 0.817 3.852 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.190 -0.715 4.694 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.785 -0.859 4.254 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.657 0.871 4.005 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.001 -0.302 7.768 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.873 -1.442 6.408 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.605 0.161 6.160 1.00 0.00 H new ATOM 1319 N PHE A 83 0.886 -2.424 3.037 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.453 -2.971 2.863 1.00 0.00 C ATOM 1321 C PHE A 83 -1.180 -3.066 4.200 1.00 0.00 C ATOM 1322 O PHE A 83 -0.556 -3.030 5.260 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.383 -4.351 2.208 1.00 0.00 C ATOM 1324 CG PHE A 83 -0.003 -4.307 0.754 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.227 -3.806 0.362 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.877 -4.767 -0.218 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.580 -3.764 -0.973 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.530 -4.727 -1.555 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.701 -4.225 -1.933 1.00 0.00 C ATOM 0 H PHE A 83 1.457 -2.917 3.723 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.011 -2.297 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.341 -4.963 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.352 -4.841 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.918 -3.444 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.840 -5.161 0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.542 -3.371 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.220 -5.088 -2.304 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.975 -4.193 -2.977 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.502 -3.186 4.141 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.315 -3.286 5.346 1.00 0.00 C ATOM 1341 C PHE A 84 -4.452 -4.283 5.154 1.00 0.00 C ATOM 1342 O PHE A 84 -4.795 -4.643 4.026 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.878 -1.914 5.724 1.00 0.00 C ATOM 1344 CG PHE A 84 -3.039 -1.181 6.732 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.790 -0.691 6.389 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.502 -0.982 8.023 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.017 -0.016 7.315 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.733 -0.307 8.953 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.490 0.176 8.598 1.00 0.00 C ATOM 0 H PHE A 84 -3.033 -3.216 3.271 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.678 -3.643 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.966 -1.305 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.884 -2.040 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.416 -0.838 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.474 -1.358 8.306 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.044 0.361 7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.105 -0.158 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.888 0.704 9.323 1.00 0.00 H new ATOM 1359 N PHE A 85 -5.032 -4.725 6.264 1.00 0.00 N ATOM 1360 CA PHE A 85 -6.130 -5.682 6.233 1.00 0.00 C ATOM 1361 C PHE A 85 -7.115 -5.387 7.358 1.00 0.00 C ATOM 1362 O PHE A 85 -6.965 -4.395 8.069 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.582 -7.104 6.366 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.447 -8.155 5.730 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.784 -8.078 4.388 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.923 -9.221 6.477 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.579 -9.044 3.803 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -7.718 -10.191 5.896 1.00 0.00 C ATOM 1369 CZ PHE A 85 -8.047 -10.103 4.558 1.00 0.00 C ATOM 0 H PHE A 85 -4.757 -4.433 7.202 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.654 -5.593 5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.590 -7.144 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.462 -7.338 7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.421 -7.253 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.670 -9.295 7.524 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.835 -8.972 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.082 -11.017 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.668 -10.860 4.102 1.00 0.00 H new ATOM 1379 N ARG A 86 -8.121 -6.246 7.517 1.00 0.00 N ATOM 1380 CA ARG A 86 -9.124 -6.070 8.556 1.00 0.00 C ATOM 1381 C ARG A 86 -8.468 -5.910 9.926 1.00 0.00 C ATOM 1382 O ARG A 86 -8.350 -6.873 10.685 1.00 0.00 O ATOM 1383 CB ARG A 86 -10.086 -7.258 8.573 1.00 0.00 C ATOM 1384 CG ARG A 86 -11.007 -7.313 7.365 1.00 0.00 C ATOM 1385 CD ARG A 86 -12.371 -7.877 7.729 1.00 0.00 C ATOM 1386 NE ARG A 86 -12.912 -8.724 6.669 1.00 0.00 N ATOM 1387 CZ ARG A 86 -12.526 -9.979 6.451 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -11.596 -10.536 7.217 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -13.071 -10.679 5.466 1.00 0.00 N ATOM 0 H ARG A 86 -8.260 -7.072 6.935 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.685 -5.162 8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.509 -8.181 8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.691 -7.212 9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.125 -6.312 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.553 -7.928 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.291 -8.455 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.062 -7.057 7.926 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.629 -8.330 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.174 -10.002 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.304 -11.498 7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.786 -10.256 4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.775 -11.641 5.299 1.00 0.00 H new ATOM 1403 N ASN A 87 -8.036 -4.691 10.231 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.384 -4.401 11.502 1.00 0.00 C ATOM 1405 C ASN A 87 -6.191 -5.328 11.728 1.00 0.00 C ATOM 1406 O ASN A 87 -5.941 -5.774 12.848 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.380 -4.536 12.656 1.00 0.00 C ATOM 1408 CG ASN A 87 -9.097 -3.233 12.954 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -8.656 -2.446 13.791 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -10.212 -3.002 12.270 1.00 0.00 N ATOM 0 H ASN A 87 -8.126 -3.885 9.612 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.020 -3.374 11.467 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.114 -5.304 12.412 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.854 -4.871 13.550 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.740 -2.144 12.429 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.541 -3.683 11.585 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.461 -5.613 10.655 1.00 0.00 N ATOM 1418 CA LYS A 88 -4.295 -6.485 10.733 1.00 0.00 C ATOM 1419 C LYS A 88 -3.110 -5.872 9.992 1.00 0.00 C ATOM 1420 O LYS A 88 -3.079 -5.850 8.762 1.00 0.00 O ATOM 1421 CB LYS A 88 -4.621 -7.861 10.149 1.00 0.00 C ATOM 1422 CG LYS A 88 -3.811 -8.990 10.765 1.00 0.00 C ATOM 1423 CD LYS A 88 -4.627 -10.270 10.866 1.00 0.00 C ATOM 1424 CE LYS A 88 -5.206 -10.453 12.258 1.00 0.00 C ATOM 1425 NZ LYS A 88 -4.164 -10.332 13.315 1.00 0.00 N ATOM 0 H LYS A 88 -5.656 -5.253 9.721 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.026 -6.599 11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.682 -8.066 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.443 -7.842 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.921 -9.171 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.470 -8.695 11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.435 -10.246 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.998 -11.124 10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.983 -9.708 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.681 -11.432 12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.433 -10.911 14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.251 -10.663 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.078 -9.337 13.606 1.00 0.00 H new ATOM 1439 N HIS A 89 -2.138 -5.376 10.750 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.951 -4.761 10.165 1.00 0.00 C ATOM 1441 C HIS A 89 -0.199 -5.754 9.284 1.00 0.00 C ATOM 1442 O HIS A 89 0.187 -6.832 9.735 1.00 0.00 O ATOM 1443 CB HIS A 89 -0.027 -4.240 11.267 1.00 0.00 C ATOM 1444 CG HIS A 89 0.193 -5.219 12.378 1.00 0.00 C ATOM 1445 ND1 HIS A 89 1.223 -6.136 12.380 1.00 0.00 N ATOM 1446 CD2 HIS A 89 -0.491 -5.421 13.530 1.00 0.00 C ATOM 1447 CE1 HIS A 89 1.162 -6.861 13.482 1.00 0.00 C ATOM 1448 NE2 HIS A 89 0.132 -6.447 14.197 1.00 0.00 N ATOM 0 H HIS A 89 -2.148 -5.388 11.770 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.275 -3.926 9.544 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.936 -3.979 10.828 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -0.449 -3.324 11.680 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.363 -4.877 13.862 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.840 -7.657 13.753 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -0.155 -6.828 15.099 1.00 0.00 H new ATOM 1457 N ILE A 90 0.007 -5.379 8.025 1.00 0.00 N ATOM 1458 CA ILE A 90 0.716 -6.234 7.080 1.00 0.00 C ATOM 1459 C ILE A 90 1.758 -5.437 6.300 1.00 0.00 C ATOM 1460 O ILE A 90 1.419 -4.605 5.458 1.00 0.00 O ATOM 1461 CB ILE A 90 -0.258 -6.906 6.090 1.00 0.00 C ATOM 1462 CG1 ILE A 90 0.497 -7.853 5.155 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -1.017 -5.856 5.292 1.00 0.00 C ATOM 1464 CD1 ILE A 90 1.051 -9.076 5.852 1.00 0.00 C ATOM 0 H ILE A 90 -0.307 -4.490 7.636 1.00 0.00 H new ATOM 0 HA ILE A 90 1.216 -7.009 7.661 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.980 -7.491 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.173 -8.172 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.317 -7.310 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.699 -6.348 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.586 -5.223 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.310 -5.244 4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.573 -9.702 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.746 -8.766 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.233 -9.642 6.298 1.00 0.00 H new ATOM 1476 N MET A 91 3.030 -5.696 6.589 1.00 0.00 N ATOM 1477 CA MET A 91 4.123 -5.002 5.920 1.00 0.00 C ATOM 1478 C MET A 91 4.625 -5.800 4.720 1.00 0.00 C ATOM 1479 O MET A 91 5.488 -6.668 4.856 1.00 0.00 O ATOM 1480 CB MET A 91 5.272 -4.752 6.899 1.00 0.00 C ATOM 1481 CG MET A 91 5.863 -6.025 7.485 1.00 0.00 C ATOM 1482 SD MET A 91 6.210 -5.883 9.249 1.00 0.00 S ATOM 1483 CE MET A 91 7.982 -5.625 9.227 1.00 0.00 C ATOM 0 H MET A 91 3.328 -6.382 7.283 1.00 0.00 H new ATOM 0 HA MET A 91 3.745 -4.044 5.562 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.059 -4.198 6.388 1.00 0.00 H new ATOM 0 HB3 MET A 91 4.914 -4.120 7.712 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.171 -6.851 7.320 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.784 -6.270 6.956 1.00 0.00 H new ATOM 0 HE1 MET A 91 8.347 -5.519 10.249 1.00 0.00 H new ATOM 0 HE2 MET A 91 8.468 -6.479 8.755 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.211 -4.720 8.664 1.00 0.00 H new ATOM 1493 N ILE A 92 4.082 -5.496 3.546 1.00 0.00 N ATOM 1494 CA ILE A 92 4.476 -6.180 2.321 1.00 0.00 C ATOM 1495 C ILE A 92 4.759 -5.178 1.206 1.00 0.00 C ATOM 1496 O ILE A 92 3.843 -4.564 0.661 1.00 0.00 O ATOM 1497 CB ILE A 92 3.390 -7.171 1.853 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.861 -7.939 0.613 1.00 0.00 C ATOM 1499 CG2 ILE A 92 2.085 -6.439 1.571 1.00 0.00 C ATOM 1500 CD1 ILE A 92 3.863 -9.441 0.798 1.00 0.00 C ATOM 0 H ILE A 92 3.367 -4.780 3.417 1.00 0.00 H new ATOM 0 HA ILE A 92 5.385 -6.738 2.544 1.00 0.00 H new ATOM 0 HB ILE A 92 3.212 -7.890 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.216 -7.685 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.868 -7.612 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.331 -7.154 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.743 -5.942 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.246 -5.696 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.207 -9.920 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.530 -9.706 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.853 -9.781 1.028 1.00 0.00 H new ATOM 1512 N ASP A 93 6.036 -5.014 0.875 1.00 0.00 N ATOM 1513 CA ASP A 93 6.440 -4.083 -0.170 1.00 0.00 C ATOM 1514 C ASP A 93 6.109 -4.634 -1.553 1.00 0.00 C ATOM 1515 O ASP A 93 5.431 -5.653 -1.681 1.00 0.00 O ATOM 1516 CB ASP A 93 7.938 -3.791 -0.069 1.00 0.00 C ATOM 1517 CG ASP A 93 8.367 -3.456 1.345 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.487 -4.389 2.167 1.00 0.00 O ATOM 1519 OD2 ASP A 93 8.585 -2.260 1.632 1.00 0.00 O ATOM 0 H ASP A 93 6.808 -5.514 1.316 1.00 0.00 H new ATOM 0 HA ASP A 93 5.885 -3.156 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.499 -4.657 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.189 -2.960 -0.728 1.00 0.00 H new ATOM 1524 N LEU A 94 6.592 -3.951 -2.587 1.00 0.00 N ATOM 1525 CA LEU A 94 6.349 -4.369 -3.964 1.00 0.00 C ATOM 1526 C LEU A 94 7.516 -5.194 -4.500 1.00 0.00 C ATOM 1527 O LEU A 94 7.709 -5.297 -5.712 1.00 0.00 O ATOM 1528 CB LEU A 94 6.123 -3.147 -4.857 1.00 0.00 C ATOM 1529 CG LEU A 94 4.927 -2.276 -4.471 1.00 0.00 C ATOM 1530 CD1 LEU A 94 5.231 -0.807 -4.721 1.00 0.00 C ATOM 1531 CD2 LEU A 94 3.687 -2.704 -5.243 1.00 0.00 C ATOM 0 H LEU A 94 7.154 -3.105 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 94 5.454 -4.991 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.022 -2.531 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.990 -3.486 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 94 4.734 -2.409 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.368 -0.204 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.093 -0.507 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.451 -0.656 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.845 -2.074 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.870 -2.600 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.457 -3.744 -5.013 1.00 0.00 H new ATOM 1543 N GLY A 95 8.290 -5.783 -3.593 1.00 0.00 N ATOM 1544 CA GLY A 95 9.425 -6.591 -4.001 1.00 0.00 C ATOM 1545 C GLY A 95 10.473 -6.709 -2.912 1.00 0.00 C ATOM 1546 O GLY A 95 10.145 -6.742 -1.726 1.00 0.00 O ATOM 0 H GLY A 95 8.152 -5.715 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.078 -7.587 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.878 -6.154 -4.891 1.00 0.00 H new ATOM 1550 N THR A 96 11.737 -6.773 -3.316 1.00 0.00 N ATOM 1551 CA THR A 96 12.838 -6.889 -2.366 1.00 0.00 C ATOM 1552 C THR A 96 14.117 -6.287 -2.940 1.00 0.00 C ATOM 1553 O THR A 96 14.943 -6.994 -3.517 1.00 0.00 O ATOM 1554 CB THR A 96 13.071 -8.356 -1.999 1.00 0.00 C ATOM 1555 OG1 THR A 96 11.885 -8.940 -1.491 1.00 0.00 O ATOM 1556 CG2 THR A 96 14.158 -8.549 -0.964 1.00 0.00 C ATOM 0 H THR A 96 12.025 -6.747 -4.294 1.00 0.00 H new ATOM 0 HA THR A 96 12.569 -6.335 -1.467 1.00 0.00 H new ATOM 0 HB THR A 96 13.384 -8.839 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.054 -9.878 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.272 -9.612 -0.750 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.099 -8.153 -1.346 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.887 -8.021 -0.049 1.00 0.00 H new ATOM 1564 N GLY A 97 14.274 -4.978 -2.777 1.00 0.00 N ATOM 1565 CA GLY A 97 15.454 -4.303 -3.284 1.00 0.00 C ATOM 1566 C GLY A 97 16.709 -4.677 -2.522 1.00 0.00 C ATOM 1567 O GLY A 97 16.760 -5.722 -1.872 1.00 0.00 O ATOM 0 H GLY A 97 13.605 -4.372 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.585 -4.550 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.305 -3.225 -3.226 1.00 0.00 H new ATOM 1571 N ASN A 98 17.724 -3.825 -2.601 1.00 0.00 N ATOM 1572 CA ASN A 98 18.987 -4.071 -1.913 1.00 0.00 C ATOM 1573 C ASN A 98 18.797 -4.036 -0.400 1.00 0.00 C ATOM 1574 O ASN A 98 19.476 -4.750 0.337 1.00 0.00 O ATOM 1575 CB ASN A 98 20.031 -3.036 -2.334 1.00 0.00 C ATOM 1576 CG ASN A 98 20.116 -2.876 -3.839 1.00 0.00 C ATOM 1577 OD1 ASN A 98 20.139 -1.760 -4.355 1.00 0.00 O ATOM 1578 ND2 ASN A 98 20.159 -3.996 -4.550 1.00 0.00 N ATOM 0 H ASN A 98 17.698 -2.956 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 98 19.339 -5.064 -2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 98 19.787 -2.074 -1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.007 -3.331 -1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 98 20.214 -3.952 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 98 20.138 -4.900 -4.079 1.00 0.00 H new ATOM 1585 N ASN A 99 17.870 -3.199 0.055 1.00 0.00 N ATOM 1586 CA ASN A 99 17.591 -3.070 1.481 1.00 0.00 C ATOM 1587 C ASN A 99 16.232 -3.671 1.825 1.00 0.00 C ATOM 1588 O ASN A 99 15.548 -3.199 2.735 1.00 0.00 O ATOM 1589 CB ASN A 99 17.633 -1.600 1.899 1.00 0.00 C ATOM 1590 CG ASN A 99 18.212 -1.409 3.286 1.00 0.00 C ATOM 1591 OD1 ASN A 99 17.717 -1.972 4.262 1.00 0.00 O ATOM 1592 ND2 ASN A 99 19.269 -0.609 3.381 1.00 0.00 N ATOM 0 H ASN A 99 17.300 -2.600 -0.542 1.00 0.00 H new ATOM 0 HA ASN A 99 18.359 -3.617 2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 99 18.228 -1.038 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.624 -1.188 1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.702 -0.442 4.289 1.00 0.00 H new ATOM 0 HD22 ASN A 99 19.647 -0.162 2.546 1.00 0.00 H new ATOM 1599 N ASN A 100 15.848 -4.713 1.093 1.00 0.00 N ATOM 1600 CA ASN A 100 14.572 -5.382 1.317 1.00 0.00 C ATOM 1601 C ASN A 100 13.403 -4.434 1.058 1.00 0.00 C ATOM 1602 O ASN A 100 12.780 -4.478 -0.003 1.00 0.00 O ATOM 1603 CB ASN A 100 14.499 -5.930 2.745 1.00 0.00 C ATOM 1604 CG ASN A 100 15.457 -7.083 2.971 1.00 0.00 C ATOM 1605 OD1 ASN A 100 15.044 -8.239 3.066 1.00 0.00 O ATOM 1606 ND2 ASN A 100 16.745 -6.774 3.057 1.00 0.00 N ATOM 0 H ASN A 100 16.405 -5.113 0.338 1.00 0.00 H new ATOM 0 HA ASN A 100 14.501 -6.213 0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.725 -5.130 3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.481 -6.261 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.437 -7.508 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.043 -5.802 2.972 1.00 0.00 H new ATOM 1613 N LYS A 101 13.107 -3.580 2.035 1.00 0.00 N ATOM 1614 CA LYS A 101 12.014 -2.624 1.917 1.00 0.00 C ATOM 1615 C LYS A 101 12.095 -1.851 0.603 1.00 0.00 C ATOM 1616 O LYS A 101 13.078 -1.160 0.337 1.00 0.00 O ATOM 1617 CB LYS A 101 12.033 -1.650 3.096 1.00 0.00 C ATOM 1618 CG LYS A 101 11.923 -2.331 4.450 1.00 0.00 C ATOM 1619 CD LYS A 101 12.732 -1.600 5.509 1.00 0.00 C ATOM 1620 CE LYS A 101 12.059 -0.301 5.926 1.00 0.00 C ATOM 1621 NZ LYS A 101 13.041 0.691 6.444 1.00 0.00 N ATOM 0 H LYS A 101 13.612 -3.532 2.920 1.00 0.00 H new ATOM 0 HA LYS A 101 11.078 -3.183 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.956 -1.072 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.210 -0.944 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.877 -2.372 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.272 -3.360 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.857 -2.242 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.729 -1.387 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.529 0.124 5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.313 -0.508 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.543 1.562 6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.529 0.296 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.738 0.909 5.704 1.00 0.00 H new ATOM 1635 N ILE A 102 11.054 -1.973 -0.214 1.00 0.00 N ATOM 1636 CA ILE A 102 11.006 -1.287 -1.499 1.00 0.00 C ATOM 1637 C ILE A 102 10.888 0.222 -1.312 1.00 0.00 C ATOM 1638 O ILE A 102 9.794 0.749 -1.108 1.00 0.00 O ATOM 1639 CB ILE A 102 9.826 -1.781 -2.358 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.878 -3.303 -2.503 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.842 -1.112 -3.725 1.00 0.00 C ATOM 1642 CD1 ILE A 102 11.056 -3.796 -3.315 1.00 0.00 C ATOM 0 H ILE A 102 10.232 -2.541 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 102 11.939 -1.515 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 102 8.896 -1.511 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.918 -3.753 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.956 -3.646 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.001 -1.474 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.762 -0.032 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.775 -1.351 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.027 -4.884 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.007 -3.376 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.984 -3.484 -2.836 1.00 0.00 H new ATOM 1654 N ASN A 103 12.021 0.911 -1.387 1.00 0.00 N ATOM 1655 CA ASN A 103 12.045 2.360 -1.231 1.00 0.00 C ATOM 1656 C ASN A 103 12.313 3.043 -2.568 1.00 0.00 C ATOM 1657 O ASN A 103 11.875 4.171 -2.797 1.00 0.00 O ATOM 1658 CB ASN A 103 13.110 2.768 -0.212 1.00 0.00 C ATOM 1659 CG ASN A 103 12.654 2.558 1.219 1.00 0.00 C ATOM 1660 OD1 ASN A 103 12.430 3.517 1.958 1.00 0.00 O ATOM 1661 ND2 ASN A 103 12.514 1.298 1.616 1.00 0.00 N ATOM 0 H ASN A 103 12.935 0.489 -1.555 1.00 0.00 H new ATOM 0 HA ASN A 103 11.068 2.679 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.018 2.191 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.365 3.817 -0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.210 1.094 2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.711 0.535 0.969 1.00 0.00 H new ATOM 1668 N TRP A 104 13.033 2.352 -3.446 1.00 0.00 N ATOM 1669 CA TRP A 104 13.358 2.890 -4.762 1.00 0.00 C ATOM 1670 C TRP A 104 12.369 2.392 -5.814 1.00 0.00 C ATOM 1671 O TRP A 104 12.153 3.047 -6.834 1.00 0.00 O ATOM 1672 CB TRP A 104 14.782 2.497 -5.159 1.00 0.00 C ATOM 1673 CG TRP A 104 15.806 3.528 -4.794 1.00 0.00 C ATOM 1674 CD1 TRP A 104 16.314 4.503 -5.605 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.449 3.688 -3.524 1.00 0.00 C ATOM 1676 NE1 TRP A 104 17.232 5.258 -4.918 1.00 0.00 N ATOM 1677 CE2 TRP A 104 17.333 4.778 -3.637 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.362 3.015 -2.302 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 18.124 5.209 -2.576 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.149 3.445 -1.248 1.00 0.00 C ATOM 1681 CH2 TRP A 104 18.018 4.533 -1.391 1.00 0.00 C ATOM 0 H TRP A 104 13.403 1.418 -3.270 1.00 0.00 H new ATOM 0 HA TRP A 104 13.289 3.977 -4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.039 1.554 -4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.817 2.325 -6.235 1.00 0.00 H new ATOM 0 HD1 TRP A 104 16.034 4.657 -6.637 1.00 0.00 H new ATOM 0 HE1 TRP A 104 17.754 6.047 -5.298 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.693 2.175 -2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 18.797 6.047 -2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.092 2.932 -0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 104 18.617 4.845 -0.549 1.00 0.00 H new ATOM 1692 N ALA A 105 11.770 1.232 -5.557 1.00 0.00 N ATOM 1693 CA ALA A 105 10.802 0.648 -6.481 1.00 0.00 C ATOM 1694 C ALA A 105 11.456 0.285 -7.809 1.00 0.00 C ATOM 1695 O ALA A 105 12.302 1.020 -8.318 1.00 0.00 O ATOM 1696 CB ALA A 105 9.641 1.605 -6.705 1.00 0.00 C ATOM 0 H ALA A 105 11.938 0.678 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 105 10.420 -0.270 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.928 1.156 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.148 1.807 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.015 2.539 -7.125 1.00 0.00 H new ATOM 1702 N MET A 106 11.056 -0.853 -8.369 1.00 0.00 N ATOM 1703 CA MET A 106 11.602 -1.312 -9.641 1.00 0.00 C ATOM 1704 C MET A 106 10.716 -2.390 -10.260 1.00 0.00 C ATOM 1705 O MET A 106 9.838 -2.944 -9.598 1.00 0.00 O ATOM 1706 CB MET A 106 13.021 -1.848 -9.452 1.00 0.00 C ATOM 1707 CG MET A 106 13.880 -1.741 -10.702 1.00 0.00 C ATOM 1708 SD MET A 106 15.373 -0.763 -10.444 1.00 0.00 S ATOM 1709 CE MET A 106 16.580 -2.056 -10.163 1.00 0.00 C ATOM 0 H MET A 106 10.356 -1.473 -7.962 1.00 0.00 H new ATOM 0 HA MET A 106 11.632 -0.459 -10.319 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.503 -1.301 -8.642 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.969 -2.892 -9.145 1.00 0.00 H new ATOM 0 HG2 MET A 106 14.159 -2.742 -11.032 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.292 -1.294 -11.504 1.00 0.00 H new ATOM 0 HE1 MET A 106 17.558 -1.609 -9.987 1.00 0.00 H new ATOM 0 HE2 MET A 106 16.288 -2.643 -9.293 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.629 -2.704 -11.038 1.00 0.00 H new ATOM 1719 N GLU A 107 10.949 -2.673 -11.538 1.00 0.00 N ATOM 1720 CA GLU A 107 10.175 -3.674 -12.260 1.00 0.00 C ATOM 1721 C GLU A 107 8.695 -3.328 -12.248 1.00 0.00 C ATOM 1722 O GLU A 107 7.992 -3.562 -11.262 1.00 0.00 O ATOM 1723 CB GLU A 107 10.376 -5.061 -11.668 1.00 0.00 C ATOM 1724 CG GLU A 107 11.722 -5.683 -12.001 1.00 0.00 C ATOM 1725 CD GLU A 107 12.887 -4.778 -11.653 1.00 0.00 C ATOM 1726 OE1 GLU A 107 13.242 -4.698 -10.459 1.00 0.00 O ATOM 1727 OE2 GLU A 107 13.445 -4.149 -12.577 1.00 0.00 O ATOM 0 H GLU A 107 11.672 -2.220 -12.096 1.00 0.00 H new ATOM 0 HA GLU A 107 10.533 -3.678 -13.290 1.00 0.00 H new ATOM 0 HB2 GLU A 107 10.272 -5.002 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.584 -5.718 -12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.826 -6.625 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.755 -5.919 -13.065 1.00 0.00 H new ATOM 1734 N ASP A 108 8.239 -2.775 -13.355 1.00 0.00 N ATOM 1735 CA ASP A 108 6.842 -2.383 -13.507 1.00 0.00 C ATOM 1736 C ASP A 108 6.005 -3.540 -14.038 1.00 0.00 C ATOM 1737 O ASP A 108 6.293 -4.088 -15.102 1.00 0.00 O ATOM 1738 CB ASP A 108 6.729 -1.182 -14.448 1.00 0.00 C ATOM 1739 CG ASP A 108 7.455 -1.404 -15.760 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.658 -1.739 -15.723 1.00 0.00 O ATOM 1741 OD2 ASP A 108 6.821 -1.245 -16.823 1.00 0.00 O ATOM 0 H ASP A 108 8.818 -2.584 -14.172 1.00 0.00 H new ATOM 0 HA ASP A 108 6.460 -2.105 -12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.677 -0.979 -14.648 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.136 -0.299 -13.956 1.00 0.00 H new ATOM 1746 N LYS A 109 4.968 -3.906 -13.284 1.00 0.00 N ATOM 1747 CA LYS A 109 4.070 -5.002 -13.659 1.00 0.00 C ATOM 1748 C LYS A 109 4.648 -6.360 -13.258 1.00 0.00 C ATOM 1749 O LYS A 109 3.908 -7.325 -13.080 1.00 0.00 O ATOM 1750 CB LYS A 109 3.776 -4.984 -15.164 1.00 0.00 C ATOM 1751 CG LYS A 109 3.519 -3.593 -15.720 1.00 0.00 C ATOM 1752 CD LYS A 109 4.341 -3.330 -16.973 1.00 0.00 C ATOM 1753 CE LYS A 109 3.611 -2.407 -17.935 1.00 0.00 C ATOM 1754 NZ LYS A 109 4.553 -1.685 -18.833 1.00 0.00 N ATOM 0 H LYS A 109 4.727 -3.455 -12.401 1.00 0.00 H new ATOM 0 HA LYS A 109 3.136 -4.852 -13.117 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.618 -5.428 -15.695 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.907 -5.611 -15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.459 -3.482 -15.950 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.761 -2.847 -14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.297 -2.886 -16.696 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.561 -4.275 -17.470 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.911 -2.988 -18.535 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.023 -1.684 -17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.114 -0.800 -19.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.428 -1.468 -18.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.776 -2.282 -19.655 1.00 0.00 H new ATOM 1768 N GLN A 110 5.968 -6.433 -13.120 1.00 0.00 N ATOM 1769 CA GLN A 110 6.624 -7.677 -12.741 1.00 0.00 C ATOM 1770 C GLN A 110 6.757 -7.788 -11.226 1.00 0.00 C ATOM 1771 O GLN A 110 6.405 -8.809 -10.635 1.00 0.00 O ATOM 1772 CB GLN A 110 8.004 -7.771 -13.395 1.00 0.00 C ATOM 1773 CG GLN A 110 7.981 -8.403 -14.776 1.00 0.00 C ATOM 1774 CD GLN A 110 8.448 -9.845 -14.766 1.00 0.00 C ATOM 1775 OE1 GLN A 110 7.933 -10.671 -14.010 1.00 0.00 O ATOM 1776 NE2 GLN A 110 9.429 -10.156 -15.604 1.00 0.00 N ATOM 0 H GLN A 110 6.602 -5.647 -13.265 1.00 0.00 H new ATOM 0 HA GLN A 110 6.006 -8.503 -13.092 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.430 -6.771 -13.470 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.664 -8.351 -12.750 1.00 0.00 H new ATOM 0 HG2 GLN A 110 6.968 -8.356 -15.176 1.00 0.00 H new ATOM 0 HG3 GLN A 110 8.616 -7.824 -15.447 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.826 -9.440 -16.212 1.00 0.00 H new ATOM 0 HE22 GLN A 110 9.786 -11.111 -15.640 1.00 0.00 H new ATOM 1785 N GLU A 111 7.279 -6.735 -10.602 1.00 0.00 N ATOM 1786 CA GLU A 111 7.469 -6.722 -9.155 1.00 0.00 C ATOM 1787 C GLU A 111 6.154 -6.489 -8.420 1.00 0.00 C ATOM 1788 O GLU A 111 5.854 -7.164 -7.435 1.00 0.00 O ATOM 1789 CB GLU A 111 8.485 -5.645 -8.766 1.00 0.00 C ATOM 1790 CG GLU A 111 9.865 -6.196 -8.448 1.00 0.00 C ATOM 1791 CD GLU A 111 9.873 -7.067 -7.208 1.00 0.00 C ATOM 1792 OE1 GLU A 111 8.792 -7.557 -6.818 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.961 -7.261 -6.625 1.00 0.00 O ATOM 0 H GLU A 111 7.577 -5.882 -11.075 1.00 0.00 H new ATOM 0 HA GLU A 111 7.849 -7.700 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.569 -4.926 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.111 -5.101 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.225 -6.776 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.560 -5.368 -8.310 1.00 0.00 H new ATOM 1800 N MET A 112 5.374 -5.526 -8.898 1.00 0.00 N ATOM 1801 CA MET A 112 4.096 -5.201 -8.277 1.00 0.00 C ATOM 1802 C MET A 112 3.119 -6.370 -8.371 1.00 0.00 C ATOM 1803 O MET A 112 2.624 -6.859 -7.357 1.00 0.00 O ATOM 1804 CB MET A 112 3.488 -3.959 -8.932 1.00 0.00 C ATOM 1805 CG MET A 112 4.486 -2.833 -9.151 1.00 0.00 C ATOM 1806 SD MET A 112 4.149 -1.390 -8.122 1.00 0.00 S ATOM 1807 CE MET A 112 5.794 -0.700 -7.959 1.00 0.00 C ATOM 0 H MET A 112 5.604 -4.957 -9.713 1.00 0.00 H new ATOM 0 HA MET A 112 4.281 -4.997 -7.222 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.055 -4.240 -9.892 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.672 -3.593 -8.309 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.491 -3.198 -8.939 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.469 -2.537 -10.200 1.00 0.00 H new ATOM 0 HE1 MET A 112 5.784 0.091 -7.209 1.00 0.00 H new ATOM 0 HE2 MET A 112 6.488 -1.482 -7.652 1.00 0.00 H new ATOM 0 HE3 MET A 112 6.112 -0.288 -8.917 1.00 0.00 H new ATOM 1817 N VAL A 113 2.841 -6.810 -9.595 1.00 0.00 N ATOM 1818 CA VAL A 113 1.916 -7.918 -9.818 1.00 0.00 C ATOM 1819 C VAL A 113 2.313 -9.147 -9.005 1.00 0.00 C ATOM 1820 O VAL A 113 1.469 -9.779 -8.369 1.00 0.00 O ATOM 1821 CB VAL A 113 1.839 -8.296 -11.311 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.895 -9.471 -11.525 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.400 -7.098 -12.139 1.00 0.00 C ATOM 0 H VAL A 113 3.242 -6.417 -10.447 1.00 0.00 H new ATOM 0 HA VAL A 113 0.934 -7.578 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 113 2.834 -8.598 -11.639 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.857 -9.719 -12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.254 -10.333 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.103 -9.203 -11.179 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.351 -7.381 -13.190 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.417 -6.766 -11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.118 -6.287 -12.015 1.00 0.00 H new ATOM 1833 N ASP A 114 3.599 -9.482 -9.026 1.00 0.00 N ATOM 1834 CA ASP A 114 4.097 -10.637 -8.287 1.00 0.00 C ATOM 1835 C ASP A 114 3.735 -10.528 -6.809 1.00 0.00 C ATOM 1836 O ASP A 114 3.326 -11.509 -6.185 1.00 0.00 O ATOM 1837 CB ASP A 114 5.613 -10.758 -8.447 1.00 0.00 C ATOM 1838 CG ASP A 114 6.003 -11.597 -9.649 1.00 0.00 C ATOM 1839 OD1 ASP A 114 5.307 -12.596 -9.926 1.00 0.00 O ATOM 1840 OD2 ASP A 114 7.004 -11.253 -10.313 1.00 0.00 O ATOM 0 H ASP A 114 4.314 -8.972 -9.545 1.00 0.00 H new ATOM 0 HA ASP A 114 3.626 -11.531 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.046 -9.762 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.036 -11.201 -7.546 1.00 0.00 H new ATOM 1845 N ILE A 115 3.883 -9.330 -6.261 1.00 0.00 N ATOM 1846 CA ILE A 115 3.567 -9.084 -4.860 1.00 0.00 C ATOM 1847 C ILE A 115 2.063 -9.140 -4.630 1.00 0.00 C ATOM 1848 O ILE A 115 1.578 -9.906 -3.797 1.00 0.00 O ATOM 1849 CB ILE A 115 4.108 -7.708 -4.401 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.573 -7.828 -3.983 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.273 -7.136 -3.258 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.809 -8.837 -2.880 1.00 0.00 C ATOM 0 H ILE A 115 4.221 -8.511 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 115 4.049 -9.865 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 115 4.036 -7.020 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.168 -8.107 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.929 -6.852 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.679 -6.170 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.242 -7.010 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.301 -7.820 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.871 -8.868 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.242 -8.548 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.485 -9.823 -3.213 1.00 0.00 H new ATOM 1864 N ILE A 116 1.333 -8.309 -5.363 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.115 -8.247 -5.232 1.00 0.00 C ATOM 1866 C ILE A 116 -0.750 -9.620 -5.431 1.00 0.00 C ATOM 1867 O ILE A 116 -1.757 -9.946 -4.803 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.728 -7.254 -6.239 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.024 -5.898 -6.147 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.222 -7.100 -5.995 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.369 -5.332 -7.492 1.00 0.00 C ATOM 0 H ILE A 116 1.722 -7.668 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.325 -7.901 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.585 -7.649 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.680 -5.190 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.869 -6.002 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.638 -6.395 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.711 -8.067 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.389 -6.727 -4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.863 -4.370 -7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.051 -6.021 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.523 -5.196 -8.104 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.156 -10.419 -6.309 1.00 0.00 N ATOM 1884 CA GLU A 117 -0.665 -11.755 -6.592 1.00 0.00 C ATOM 1885 C GLU A 117 -0.532 -12.660 -5.372 1.00 0.00 C ATOM 1886 O GLU A 117 -1.414 -13.472 -5.090 1.00 0.00 O ATOM 1887 CB GLU A 117 0.082 -12.368 -7.779 1.00 0.00 C ATOM 1888 CG GLU A 117 -0.459 -13.723 -8.203 1.00 0.00 C ATOM 1889 CD GLU A 117 0.639 -14.693 -8.593 1.00 0.00 C ATOM 1890 OE1 GLU A 117 1.637 -14.248 -9.197 1.00 0.00 O ATOM 1891 OE2 GLU A 117 0.502 -15.898 -8.294 1.00 0.00 O ATOM 0 H GLU A 117 0.679 -10.165 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.722 -11.667 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.027 -11.683 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.136 -12.471 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.042 -14.149 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.139 -13.592 -9.045 1.00 0.00 H new ATOM 1898 N THR A 118 0.577 -12.519 -4.653 1.00 0.00 N ATOM 1899 CA THR A 118 0.825 -13.329 -3.465 1.00 0.00 C ATOM 1900 C THR A 118 0.150 -12.729 -2.234 1.00 0.00 C ATOM 1901 O THR A 118 -0.165 -13.441 -1.280 1.00 0.00 O ATOM 1902 CB THR A 118 2.329 -13.463 -3.220 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.997 -13.845 -4.409 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.673 -14.479 -2.153 1.00 0.00 C ATOM 0 H THR A 118 1.317 -11.852 -4.872 1.00 0.00 H new ATOM 0 HA THR A 118 0.399 -14.317 -3.640 1.00 0.00 H new ATOM 0 HB THR A 118 2.656 -12.480 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.100 -13.064 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.755 -14.524 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.212 -14.186 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.300 -15.459 -2.450 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.065 -11.417 -2.256 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.697 -10.729 -1.136 1.00 0.00 C ATOM 1914 C VAL A 119 -2.218 -10.819 -1.213 1.00 0.00 C ATOM 1915 O VAL A 119 -2.873 -11.242 -0.261 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.287 -9.244 -1.084 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.827 -8.582 0.174 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.226 -9.104 -1.160 1.00 0.00 C ATOM 0 H VAL A 119 0.189 -10.810 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.353 -11.228 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.720 -8.738 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.527 -7.534 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.915 -8.648 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.427 -9.089 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.496 -8.049 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.682 -9.626 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.585 -9.537 -2.094 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.774 -10.414 -2.350 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.219 -10.443 -2.546 1.00 0.00 C ATOM 1930 C TYR A 120 -4.745 -11.873 -2.549 1.00 0.00 C ATOM 1931 O TYR A 120 -5.809 -12.157 -1.999 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.594 -9.747 -3.857 1.00 0.00 C ATOM 1933 CG TYR A 120 -4.433 -8.238 -3.828 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -3.747 -7.602 -2.798 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -4.969 -7.451 -4.840 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -3.602 -6.227 -2.778 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -4.827 -6.076 -4.827 1.00 0.00 C ATOM 1938 CZ TYR A 120 -4.144 -5.470 -3.795 1.00 0.00 C ATOM 1939 OH TYR A 120 -4.002 -4.101 -3.780 1.00 0.00 O ATOM 0 H TYR A 120 -2.247 -10.062 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.679 -9.910 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.977 -10.152 -4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -5.630 -9.986 -4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -3.320 -8.192 -2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.506 -7.922 -5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -3.067 -5.749 -1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -5.249 -5.479 -5.622 1.00 0.00 H new ATOM 0 HH TYR A 120 -4.440 -3.718 -4.568 1.00 0.00 H new ATOM 1949 N ARG A 121 -3.993 -12.771 -3.171 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.383 -14.174 -3.245 1.00 0.00 C ATOM 1951 C ARG A 121 -4.063 -14.895 -1.941 1.00 0.00 C ATOM 1952 O ARG A 121 -4.783 -15.807 -1.532 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.672 -14.863 -4.412 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.422 -16.068 -4.955 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.240 -15.708 -6.184 1.00 0.00 C ATOM 1956 NE ARG A 121 -6.377 -16.607 -6.368 1.00 0.00 N ATOM 1957 CZ ARG A 121 -7.514 -16.514 -5.683 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -7.672 -15.563 -4.770 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -8.499 -17.372 -5.914 1.00 0.00 N ATOM 0 H ARG A 121 -3.109 -12.554 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.460 -14.218 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.529 -14.142 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.681 -15.179 -4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.712 -16.856 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.080 -16.467 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.599 -14.683 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.602 -15.745 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.294 -17.350 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.919 -14.898 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.546 -15.497 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.385 -18.103 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -9.371 -17.301 -5.389 1.00 0.00 H new ATOM 1973 N GLY A 122 -2.981 -14.480 -1.291 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.587 -15.095 -0.038 1.00 0.00 C ATOM 1975 C GLY A 122 -3.422 -14.610 1.130 1.00 0.00 C ATOM 1976 O GLY A 122 -3.841 -15.401 1.974 1.00 0.00 O ATOM 0 H GLY A 122 -2.370 -13.728 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.680 -16.178 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.536 -14.879 0.155 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.664 -13.303 1.178 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.454 -12.709 2.249 1.00 0.00 C ATOM 1982 C ALA A 123 -5.936 -12.671 1.886 1.00 0.00 C ATOM 1983 O ALA A 123 -6.602 -11.650 2.063 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.947 -11.309 2.561 1.00 0.00 C ATOM 0 H ALA A 123 -3.323 -12.635 0.486 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.343 -13.331 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.545 -10.876 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.904 -11.361 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.028 -10.686 1.670 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.447 -13.787 1.376 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.849 -13.878 0.988 1.00 0.00 C ATOM 1992 C ARG A 124 -8.672 -14.570 2.070 1.00 0.00 C ATOM 1993 O ARG A 124 -9.667 -15.234 1.779 1.00 0.00 O ATOM 1994 CB ARG A 124 -7.982 -14.635 -0.335 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.599 -16.104 -0.240 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.064 -16.885 -1.459 1.00 0.00 C ATOM 1997 NE ARG A 124 -6.942 -17.385 -2.249 1.00 0.00 N ATOM 1998 CZ ARG A 124 -6.168 -18.402 -1.876 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -6.391 -19.028 -0.728 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -5.168 -18.793 -2.655 1.00 0.00 N ATOM 0 H ARG A 124 -5.911 -14.641 1.222 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.232 -12.866 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.011 -14.559 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.354 -14.153 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.517 -16.193 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.037 -16.537 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.683 -17.723 -1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.690 -16.246 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.740 -16.928 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.159 -18.731 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.795 -19.807 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.993 -18.315 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.574 -19.572 -2.370 1.00 0.00 H new ATOM 2014 N LYS A 125 -8.251 -14.412 3.321 1.00 0.00 N ATOM 2015 CA LYS A 125 -8.948 -15.022 4.446 1.00 0.00 C ATOM 2016 C LYS A 125 -9.185 -14.003 5.557 1.00 0.00 C ATOM 2017 O LYS A 125 -8.844 -12.829 5.418 1.00 0.00 O ATOM 2018 CB LYS A 125 -8.148 -16.208 4.987 1.00 0.00 C ATOM 2019 CG LYS A 125 -6.709 -15.864 5.334 1.00 0.00 C ATOM 2020 CD LYS A 125 -6.565 -15.486 6.800 1.00 0.00 C ATOM 2021 CE LYS A 125 -5.249 -14.773 7.064 1.00 0.00 C ATOM 2022 NZ LYS A 125 -4.079 -15.584 6.624 1.00 0.00 N ATOM 0 H LYS A 125 -7.430 -13.866 3.581 1.00 0.00 H new ATOM 0 HA LYS A 125 -9.916 -15.378 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -8.645 -16.595 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -8.153 -17.007 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -6.066 -16.716 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.370 -15.038 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -7.394 -14.843 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -6.624 -16.383 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.244 -13.816 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.161 -14.556 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.202 -15.145 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.160 -16.547 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.057 -15.626 5.585 1.00 0.00 H new ATOM 2036 N GLY A 126 -9.770 -14.462 6.659 1.00 0.00 N ATOM 2037 CA GLY A 126 -10.042 -13.579 7.777 1.00 0.00 C ATOM 2038 C GLY A 126 -9.670 -14.198 9.110 1.00 0.00 C ATOM 2039 O GLY A 126 -9.564 -15.419 9.226 1.00 0.00 O ATOM 0 H GLY A 126 -10.060 -15.430 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -9.488 -12.649 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -11.101 -13.321 7.783 1.00 0.00 H new ATOM 2043 N ARG A 127 -9.470 -13.355 10.117 1.00 0.00 N ATOM 2044 CA ARG A 127 -9.108 -13.826 11.449 1.00 0.00 C ATOM 2045 C ARG A 127 -9.465 -12.790 12.510 1.00 0.00 C ATOM 2046 O ARG A 127 -9.319 -11.588 12.291 1.00 0.00 O ATOM 2047 CB ARG A 127 -7.612 -14.142 11.511 1.00 0.00 C ATOM 2048 CG ARG A 127 -7.250 -15.170 12.571 1.00 0.00 C ATOM 2049 CD ARG A 127 -7.325 -16.586 12.022 1.00 0.00 C ATOM 2050 NE ARG A 127 -6.295 -16.838 11.016 1.00 0.00 N ATOM 2051 CZ ARG A 127 -6.058 -18.035 10.484 1.00 0.00 C ATOM 2052 NH1 ARG A 127 -6.772 -19.088 10.856 1.00 0.00 N ATOM 2053 NH2 ARG A 127 -5.103 -18.176 9.575 1.00 0.00 N ATOM 0 H ARG A 127 -9.552 -12.342 10.036 1.00 0.00 H new ATOM 0 HA ARG A 127 -9.674 -14.735 11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -7.286 -14.507 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.063 -13.221 11.707 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.243 -14.975 12.940 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.926 -15.072 13.421 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.215 -17.298 12.840 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -8.309 -16.753 11.584 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.725 -16.052 10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.508 -18.984 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -6.585 -20.002 10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.552 -17.368 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -4.920 -19.092 9.166 1.00 0.00 H new ATOM 2067 N GLY A 128 -9.934 -13.265 13.659 1.00 0.00 N ATOM 2068 CA GLY A 128 -10.305 -12.367 14.736 1.00 0.00 C ATOM 2069 C GLY A 128 -9.142 -12.054 15.657 1.00 0.00 C ATOM 2070 O GLY A 128 -9.049 -12.685 16.731 1.00 0.02 O ATOM 2071 OXT GLY A 128 -8.324 -11.179 15.303 1.00 0.02 O ATOM 0 H GLY A 128 -10.064 -14.256 13.863 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.690 -11.439 14.314 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.113 -12.814 15.315 1.00 0.00 H new TER 2075 GLY A 128