USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 101 GLN : amide:sc= 0.837 K(o=1.8,f=0.74) USER MOD Set 1.2: A 103 ASN : amide:sc= 0.959 K(o=1.8,f=0.74) USER MOD Set 2.1: A 92 TYR OH : rot 166:sc= 1.15 USER MOD Set 2.2: A 105 HIS : no HE2:sc= 0.457 K(o=4.5,f=-5!) USER MOD Set 2.3: A 107 HIS : no HE2:sc= 1.76 K(o=4.5,f=-9.3!) USER MOD Set 2.4: A 112 SER OG : rot -149:sc= 1.16 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -170:sc= 2.17 (180deg=0.61) USER MOD Set 3.2: A 37 GLN : amide:sc= 1.06 K(o=3.2,f=-8.2!) USER MOD Set 4.1: A 27 THR OG1 : rot -154:sc= 1.25 USER MOD Set 4.2: A 31 THR OG1 : rot 170:sc= 2 USER MOD Set 5.1: A 2 SER OG : rot 72:sc= 2.02 USER MOD Set 5.2: A 7 LYS NZ :NH3+ -156:sc= 3.46 (180deg=1.08) USER MOD Set 5.3: A 68 ASN : amide:sc= 2.12 K(o=7.6,f=-7.3!) USER MOD Single : A 1 ILE N :NH3+ -140:sc= 2.48 (180deg=-0.685!) USER MOD Single : A 5 GLN : amide:sc= 0.97 K(o=0.97,f=-5.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 10 THR OG1 : rot -33:sc= 1.02 USER MOD Single : A 11 TYR OH : rot -130:sc= 0.0216 USER MOD Single : A 15 SER OG : rot 13:sc= 1.02 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 1.36 (180deg=1.31) USER MOD Single : A 23 THR OG1 : rot 31:sc= 0.0878 USER MOD Single : A 29 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.8!) USER MOD Single : A 38 TYR OH : rot 34:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= 1.96 (180deg=0.385) USER MOD Single : A 50 SER OG : rot -157:sc= 0.817 USER MOD Single : A 51 SER OG : rot -170:sc= 1.11 USER MOD Single : A 54 SER OG : rot -9:sc= 0.937 USER MOD Single : A 56 ASN : amide:sc= 0.482 K(o=0.48,f=-5.2!) USER MOD Single : A 59 THR OG1 : rot -11:sc= 1.15 USER MOD Single : A 66 THR OG1 : rot -150:sc= 1.06 USER MOD Single : A 72 SER OG : rot -25:sc= 0.899 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 77 ASN : amide:sc= 0.905 K(o=0.91,f=-3.1!) USER MOD Single : A 79 LYS NZ :NH3+ -120:sc= 1.26 (180deg=-2.31!) USER MOD Single : A 91 SER OG : rot 100:sc= -0.213 USER MOD Single : A 100 GLN : amide:sc= 0.989 K(o=0.99,f=-1.4) USER MOD Single : A 104 HIS : no HE2:sc= 0.933 K(o=0.93,f=-3.7!) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= 2.29 (180deg=2.09) USER MOD Single : A 109 SER OG : rot -78:sc= 1.21 USER MOD Single : A 111 SER OG : rot -122:sc= 0.785 USER MOD Single : A 115 LYS NZ :NH3+ 148:sc= 1.11 (180deg=0.519) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -1.419 5.138 14.372 1.00 0.00 N ATOM 2 CA ILE A 1 -2.833 4.731 14.262 1.00 0.00 C ATOM 3 C ILE A 1 -3.125 4.460 12.788 1.00 0.00 C ATOM 4 O ILE A 1 -2.744 5.262 11.943 1.00 0.00 O ATOM 5 CB ILE A 1 -3.764 5.785 14.899 1.00 0.00 C ATOM 6 CG1 ILE A 1 -3.425 5.982 16.401 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.234 5.353 14.748 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.951 7.301 16.978 1.00 0.00 C ATOM 0 H1 ILE A 1 -0.998 4.705 15.219 1.00 0.00 H new ATOM 0 H2 ILE A 1 -0.900 4.823 13.527 1.00 0.00 H new ATOM 0 H3 ILE A 1 -1.361 6.174 14.448 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.025 3.816 14.822 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.613 6.732 14.382 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.843 5.153 16.972 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -2.343 5.944 16.529 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -5.882 6.103 15.201 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -5.477 5.254 13.690 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.385 4.395 15.246 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.678 7.372 18.031 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.513 8.137 16.432 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -5.036 7.333 16.882 1.00 0.00 H new ATOM 22 N SER A 2 -3.693 3.287 12.480 1.00 0.00 N ATOM 23 CA SER A 2 -3.773 2.731 11.123 1.00 0.00 C ATOM 24 C SER A 2 -5.063 1.911 10.920 1.00 0.00 C ATOM 25 O SER A 2 -5.836 1.663 11.841 1.00 0.00 O ATOM 26 CB SER A 2 -2.476 1.932 10.867 1.00 0.00 C ATOM 27 OG SER A 2 -2.463 1.101 9.715 1.00 0.00 O ATOM 0 H SER A 2 -4.120 2.684 13.184 1.00 0.00 H new ATOM 0 HA SER A 2 -3.841 3.526 10.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.650 2.638 10.788 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.281 1.309 11.740 1.00 0.00 H new ATOM 0 HG SER A 2 -2.414 1.658 8.910 1.00 0.00 H new ATOM 33 N GLU A 3 -5.276 1.525 9.665 1.00 0.00 N ATOM 34 CA GLU A 3 -6.445 0.994 8.977 1.00 0.00 C ATOM 35 C GLU A 3 -6.841 -0.381 9.536 1.00 0.00 C ATOM 36 O GLU A 3 -6.152 -1.372 9.287 1.00 0.00 O ATOM 37 CB GLU A 3 -6.101 0.912 7.469 1.00 0.00 C ATOM 38 CG GLU A 3 -5.645 2.231 6.795 1.00 0.00 C ATOM 39 CD GLU A 3 -4.314 2.817 7.317 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.399 2.028 7.686 1.00 0.00 O ATOM 41 OE2 GLU A 3 -4.249 4.053 7.501 1.00 0.00 O ATOM 0 H GLU A 3 -4.502 1.591 9.004 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.304 1.647 9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.313 0.171 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.978 0.542 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.550 2.057 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.428 2.977 6.929 1.00 0.00 H new ATOM 48 N PHE A 4 -7.911 -0.447 10.335 1.00 0.00 N ATOM 49 CA PHE A 4 -8.267 -1.625 11.136 1.00 0.00 C ATOM 50 C PHE A 4 -8.415 -2.915 10.311 1.00 0.00 C ATOM 51 O PHE A 4 -7.743 -3.909 10.580 1.00 0.00 O ATOM 52 CB PHE A 4 -9.547 -1.325 11.933 1.00 0.00 C ATOM 53 CG PHE A 4 -9.905 -2.416 12.924 1.00 0.00 C ATOM 54 CD1 PHE A 4 -9.401 -2.363 14.238 1.00 0.00 C ATOM 55 CD2 PHE A 4 -10.708 -3.505 12.530 1.00 0.00 C ATOM 56 CE1 PHE A 4 -9.696 -3.393 15.151 1.00 0.00 C ATOM 57 CE2 PHE A 4 -10.996 -4.538 13.439 1.00 0.00 C ATOM 58 CZ PHE A 4 -10.489 -4.482 14.749 1.00 0.00 C ATOM 0 H PHE A 4 -8.565 0.328 10.446 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.438 -1.817 11.817 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.421 -0.384 12.469 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.376 -1.188 11.238 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.787 -1.530 14.546 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.104 -3.546 11.526 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.313 -3.347 16.160 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.606 -5.374 13.131 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.709 -5.276 15.447 1.00 0.00 H new ATOM 68 N GLN A 5 -9.300 -2.910 9.310 1.00 0.00 N ATOM 69 CA GLN A 5 -9.660 -4.090 8.521 1.00 0.00 C ATOM 70 C GLN A 5 -8.558 -4.546 7.553 1.00 0.00 C ATOM 71 O GLN A 5 -8.551 -5.699 7.128 1.00 0.00 O ATOM 72 CB GLN A 5 -10.991 -3.834 7.782 1.00 0.00 C ATOM 73 CG GLN A 5 -10.945 -2.966 6.502 1.00 0.00 C ATOM 74 CD GLN A 5 -10.598 -1.486 6.690 1.00 0.00 C ATOM 75 OE1 GLN A 5 -10.437 -0.964 7.785 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.463 -0.748 5.606 1.00 0.00 N ATOM 0 H GLN A 5 -9.796 -2.067 9.020 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.784 -4.917 9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.419 -4.801 7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.679 -3.362 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.216 -3.403 5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.917 -3.029 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.593 -1.166 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.228 0.241 5.688 1.00 0.00 H new ATOM 85 N LEU A 6 -7.622 -3.654 7.202 1.00 0.00 N ATOM 86 CA LEU A 6 -6.624 -3.885 6.156 1.00 0.00 C ATOM 87 C LEU A 6 -5.426 -4.732 6.638 1.00 0.00 C ATOM 88 O LEU A 6 -4.573 -5.118 5.842 1.00 0.00 O ATOM 89 CB LEU A 6 -6.221 -2.511 5.579 1.00 0.00 C ATOM 90 CG LEU A 6 -5.698 -2.529 4.127 1.00 0.00 C ATOM 91 CD1 LEU A 6 -6.749 -3.022 3.123 1.00 0.00 C ATOM 92 CD2 LEU A 6 -5.313 -1.104 3.715 1.00 0.00 C ATOM 0 H LEU A 6 -7.538 -2.739 7.645 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.056 -4.493 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.085 -1.848 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.452 -2.079 6.219 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.848 -3.211 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.325 -3.013 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.050 -4.037 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.619 -2.366 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.942 -1.109 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.188 -0.457 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.534 -0.731 4.380 1.00 0.00 H new ATOM 104 N LYS A 7 -5.394 -5.087 7.930 1.00 0.00 N ATOM 105 CA LYS A 7 -4.390 -5.896 8.646 1.00 0.00 C ATOM 106 C LYS A 7 -4.319 -7.384 8.226 1.00 0.00 C ATOM 107 O LYS A 7 -3.853 -8.211 9.012 1.00 0.00 O ATOM 108 CB LYS A 7 -4.662 -5.754 10.164 1.00 0.00 C ATOM 109 CG LYS A 7 -4.564 -4.314 10.707 1.00 0.00 C ATOM 110 CD LYS A 7 -3.120 -3.800 10.744 1.00 0.00 C ATOM 111 CE LYS A 7 -3.013 -2.325 11.152 1.00 0.00 C ATOM 112 NZ LYS A 7 -3.556 -1.429 10.108 1.00 0.00 N ATOM 0 H LYS A 7 -6.138 -4.789 8.561 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.408 -5.507 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.658 -6.141 10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.954 -6.381 10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.166 -3.652 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.985 -4.278 11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.543 -4.406 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.669 -3.932 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.553 -2.165 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.969 -2.074 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.125 -0.487 10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.338 -1.818 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.587 -1.351 10.220 1.00 0.00 H new ATOM 126 N GLY A 8 -4.780 -7.741 7.019 1.00 0.00 N ATOM 127 CA GLY A 8 -4.747 -9.086 6.422 1.00 0.00 C ATOM 128 C GLY A 8 -5.121 -10.211 7.386 1.00 0.00 C ATOM 129 O GLY A 8 -4.260 -10.995 7.788 1.00 0.00 O ATOM 0 H GLY A 8 -5.212 -7.059 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.429 -9.110 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.746 -9.274 6.034 1.00 0.00 H new ATOM 133 N THR A 9 -6.398 -10.253 7.777 1.00 0.00 N ATOM 134 CA THR A 9 -6.954 -11.055 8.881 1.00 0.00 C ATOM 135 C THR A 9 -6.385 -12.474 8.965 1.00 0.00 C ATOM 136 O THR A 9 -5.778 -12.807 9.980 1.00 0.00 O ATOM 137 CB THR A 9 -8.491 -11.098 8.816 1.00 0.00 C ATOM 138 OG1 THR A 9 -8.915 -11.592 7.564 1.00 0.00 O ATOM 139 CG2 THR A 9 -9.123 -9.717 9.010 1.00 0.00 C ATOM 0 H THR A 9 -7.115 -9.699 7.308 1.00 0.00 H new ATOM 0 HA THR A 9 -6.644 -10.546 9.794 1.00 0.00 H new ATOM 0 HB THR A 9 -8.813 -11.752 9.626 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.894 -11.616 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.208 -9.803 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.839 -9.321 9.985 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.772 -9.043 8.228 1.00 0.00 H new ATOM 147 N THR A 10 -6.554 -13.271 7.901 1.00 0.00 N ATOM 148 CA THR A 10 -6.315 -14.724 7.817 1.00 0.00 C ATOM 149 C THR A 10 -4.895 -15.237 8.120 1.00 0.00 C ATOM 150 O THR A 10 -4.705 -16.454 8.111 1.00 0.00 O ATOM 151 CB THR A 10 -6.762 -15.252 6.439 1.00 0.00 C ATOM 152 OG1 THR A 10 -6.812 -16.657 6.484 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.830 -14.846 5.290 1.00 0.00 C ATOM 0 H THR A 10 -6.884 -12.894 7.013 1.00 0.00 H new ATOM 0 HA THR A 10 -6.916 -15.120 8.635 1.00 0.00 H new ATOM 0 HB THR A 10 -7.737 -14.809 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.114 -16.990 7.086 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.209 -15.254 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.788 -13.759 5.222 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.830 -15.237 5.477 1.00 0.00 H new ATOM 161 N TYR A 11 -3.910 -14.367 8.369 1.00 0.00 N ATOM 162 CA TYR A 11 -2.537 -14.757 8.700 1.00 0.00 C ATOM 163 C TYR A 11 -2.125 -14.233 10.082 1.00 0.00 C ATOM 164 O TYR A 11 -2.443 -13.098 10.435 1.00 0.00 O ATOM 165 CB TYR A 11 -1.576 -14.221 7.632 1.00 0.00 C ATOM 166 CG TYR A 11 -1.723 -14.793 6.230 1.00 0.00 C ATOM 167 CD1 TYR A 11 -1.460 -16.156 5.992 1.00 0.00 C ATOM 168 CD2 TYR A 11 -2.053 -13.948 5.150 1.00 0.00 C ATOM 169 CE1 TYR A 11 -1.513 -16.671 4.683 1.00 0.00 C ATOM 170 CE2 TYR A 11 -2.099 -14.456 3.835 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.812 -15.819 3.598 1.00 0.00 C ATOM 172 OH TYR A 11 -1.793 -16.316 2.330 1.00 0.00 O ATOM 0 H TYR A 11 -4.048 -13.357 8.346 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.489 -15.846 8.725 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.702 -13.140 7.573 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.556 -14.405 7.969 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.217 -16.809 6.817 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.272 -12.906 5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.325 -17.720 4.509 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.353 -13.805 3.012 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.252 -15.732 1.758 1.00 0.00 H new ATOM 182 N GLY A 12 -1.366 -15.034 10.845 1.00 0.00 N ATOM 183 CA GLY A 12 -0.807 -14.644 12.146 1.00 0.00 C ATOM 184 C GLY A 12 0.432 -13.745 12.032 1.00 0.00 C ATOM 185 O GLY A 12 0.954 -13.527 10.941 1.00 0.00 O ATOM 0 H GLY A 12 -1.120 -15.985 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.573 -14.123 12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.545 -15.543 12.705 1.00 0.00 H new ATOM 189 N VAL A 13 0.903 -13.208 13.167 1.00 0.00 N ATOM 190 CA VAL A 13 2.016 -12.242 13.235 1.00 0.00 C ATOM 191 C VAL A 13 3.397 -12.906 13.133 1.00 0.00 C ATOM 192 O VAL A 13 3.949 -13.413 14.118 1.00 0.00 O ATOM 193 CB VAL A 13 1.848 -11.268 14.422 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.819 -11.914 15.815 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.918 -10.171 14.379 1.00 0.00 C ATOM 0 H VAL A 13 0.515 -13.436 14.083 1.00 0.00 H new ATOM 0 HA VAL A 13 1.967 -11.620 12.341 1.00 0.00 H new ATOM 0 HB VAL A 13 0.853 -10.844 14.282 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.697 -11.140 16.573 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.985 -12.614 15.874 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.754 -12.448 15.988 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.781 -9.496 15.224 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.907 -10.625 14.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.827 -9.611 13.449 1.00 0.00 H new ATOM 205 N CYS A 14 3.953 -12.912 11.915 1.00 0.00 N ATOM 206 CA CYS A 14 5.300 -13.385 11.596 1.00 0.00 C ATOM 207 C CYS A 14 5.800 -12.860 10.237 1.00 0.00 C ATOM 208 O CYS A 14 5.126 -12.077 9.567 1.00 0.00 O ATOM 209 CB CYS A 14 5.355 -14.925 11.678 1.00 0.00 C ATOM 210 SG CYS A 14 4.940 -15.899 10.200 1.00 0.00 S ATOM 0 H CYS A 14 3.453 -12.573 11.093 1.00 0.00 H new ATOM 0 HA CYS A 14 5.984 -12.978 12.341 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.364 -15.203 11.983 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.683 -15.237 12.477 1.00 0.00 H new ATOM 215 N SER A 15 7.002 -13.289 9.834 1.00 0.00 N ATOM 216 CA SER A 15 7.535 -13.232 8.458 1.00 0.00 C ATOM 217 C SER A 15 8.846 -14.013 8.323 1.00 0.00 C ATOM 218 O SER A 15 9.115 -14.557 7.256 1.00 0.00 O ATOM 219 CB SER A 15 7.800 -11.797 7.997 1.00 0.00 C ATOM 220 OG SER A 15 6.584 -11.142 7.731 1.00 0.00 O ATOM 0 H SER A 15 7.665 -13.706 10.487 1.00 0.00 H new ATOM 0 HA SER A 15 6.764 -13.681 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.353 -11.256 8.765 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.422 -11.803 7.102 1.00 0.00 H new ATOM 0 HG SER A 15 5.842 -11.667 8.098 1.00 0.00 H new ATOM 226 N LYS A 16 9.634 -14.105 9.411 1.00 0.00 N ATOM 227 CA LYS A 16 10.884 -14.871 9.547 1.00 0.00 C ATOM 228 C LYS A 16 12.012 -14.362 8.637 1.00 0.00 C ATOM 229 O LYS A 16 13.007 -13.830 9.118 1.00 0.00 O ATOM 230 CB LYS A 16 10.580 -16.375 9.364 1.00 0.00 C ATOM 231 CG LYS A 16 11.771 -17.304 9.663 1.00 0.00 C ATOM 232 CD LYS A 16 11.617 -18.659 8.952 1.00 0.00 C ATOM 233 CE LYS A 16 11.934 -18.519 7.455 1.00 0.00 C ATOM 234 NZ LYS A 16 11.631 -19.751 6.698 1.00 0.00 N ATOM 0 H LYS A 16 9.398 -13.614 10.273 1.00 0.00 H new ATOM 0 HA LYS A 16 11.274 -14.719 10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.749 -16.648 10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.250 -16.545 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.697 -16.826 9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.850 -17.462 10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.285 -19.392 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.601 -19.031 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.360 -17.691 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.988 -18.270 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.970 -19.650 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.106 -20.560 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.603 -19.912 6.693 1.00 0.00 H new ATOM 248 N ALA A 17 11.882 -14.555 7.326 1.00 0.00 N ATOM 249 CA ALA A 17 12.964 -14.390 6.366 1.00 0.00 C ATOM 250 C ALA A 17 13.082 -12.948 5.840 1.00 0.00 C ATOM 251 O ALA A 17 12.777 -12.664 4.684 1.00 0.00 O ATOM 252 CB ALA A 17 12.788 -15.431 5.261 1.00 0.00 C ATOM 0 H ALA A 17 11.001 -14.836 6.895 1.00 0.00 H new ATOM 0 HA ALA A 17 13.919 -14.564 6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.590 -15.325 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.822 -16.431 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.827 -15.281 4.770 1.00 0.00 H new ATOM 258 N PHE A 18 13.582 -12.042 6.685 1.00 0.00 N ATOM 259 CA PHE A 18 13.953 -10.675 6.306 1.00 0.00 C ATOM 260 C PHE A 18 15.369 -10.316 6.781 1.00 0.00 C ATOM 261 O PHE A 18 15.885 -10.881 7.745 1.00 0.00 O ATOM 262 CB PHE A 18 12.939 -9.672 6.883 1.00 0.00 C ATOM 263 CG PHE A 18 11.735 -9.364 6.011 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.866 -8.467 4.932 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.468 -9.885 6.331 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.732 -8.059 4.206 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.333 -9.480 5.603 1.00 0.00 C ATOM 268 CZ PHE A 18 9.462 -8.553 4.554 1.00 0.00 C ATOM 0 H PHE A 18 13.744 -12.242 7.672 1.00 0.00 H new ATOM 0 HA PHE A 18 13.942 -10.621 5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.582 -10.056 7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.461 -8.738 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.842 -8.091 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.366 -10.597 7.137 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.837 -7.368 3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.362 -9.882 5.851 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.587 -8.220 4.016 1.00 0.00 H new ATOM 278 N LYS A 19 15.962 -9.310 6.129 1.00 0.00 N ATOM 279 CA LYS A 19 17.174 -8.591 6.535 1.00 0.00 C ATOM 280 C LYS A 19 17.025 -7.108 6.154 1.00 0.00 C ATOM 281 O LYS A 19 16.541 -6.806 5.068 1.00 0.00 O ATOM 282 CB LYS A 19 18.379 -9.264 5.845 1.00 0.00 C ATOM 283 CG LYS A 19 19.629 -8.380 5.838 1.00 0.00 C ATOM 284 CD LYS A 19 20.835 -9.000 5.124 1.00 0.00 C ATOM 285 CE LYS A 19 21.973 -7.974 4.977 1.00 0.00 C ATOM 286 NZ LYS A 19 21.545 -6.756 4.240 1.00 0.00 N ATOM 0 H LYS A 19 15.585 -8.955 5.250 1.00 0.00 H new ATOM 0 HA LYS A 19 17.332 -8.633 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.606 -10.201 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.111 -9.514 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.386 -7.431 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.907 -8.156 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.190 -9.865 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.535 -9.360 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.332 -7.690 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.810 -8.436 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.378 -6.174 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.071 -7.033 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.886 -6.208 4.829 1.00 0.00 H new ATOM 300 N PHE A 20 17.487 -6.182 7.002 1.00 0.00 N ATOM 301 CA PHE A 20 17.570 -4.750 6.671 1.00 0.00 C ATOM 302 C PHE A 20 18.673 -4.473 5.624 1.00 0.00 C ATOM 303 O PHE A 20 19.717 -5.134 5.618 1.00 0.00 O ATOM 304 CB PHE A 20 17.820 -3.938 7.961 1.00 0.00 C ATOM 305 CG PHE A 20 16.823 -2.819 8.227 1.00 0.00 C ATOM 306 CD1 PHE A 20 16.746 -1.708 7.365 1.00 0.00 C ATOM 307 CD2 PHE A 20 15.995 -2.866 9.368 1.00 0.00 C ATOM 308 CE1 PHE A 20 15.842 -0.665 7.631 1.00 0.00 C ATOM 309 CE2 PHE A 20 15.102 -1.814 9.642 1.00 0.00 C ATOM 310 CZ PHE A 20 15.019 -0.715 8.769 1.00 0.00 C ATOM 0 H PHE A 20 17.816 -6.403 7.942 1.00 0.00 H new ATOM 0 HA PHE A 20 16.623 -4.440 6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.809 -4.622 8.810 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.820 -3.508 7.912 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.385 -1.657 6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.047 -3.714 10.035 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.780 0.178 6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.480 -1.851 10.524 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.325 0.088 8.972 1.00 0.00 H new ATOM 320 N LEU A 21 18.472 -3.467 4.763 1.00 0.00 N ATOM 321 CA LEU A 21 19.471 -3.036 3.775 1.00 0.00 C ATOM 322 C LEU A 21 19.638 -1.509 3.745 1.00 0.00 C ATOM 323 O LEU A 21 20.756 -1.018 3.878 1.00 0.00 O ATOM 324 CB LEU A 21 19.111 -3.613 2.388 1.00 0.00 C ATOM 325 CG LEU A 21 20.324 -4.133 1.592 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.844 -4.699 0.255 1.00 0.00 C ATOM 327 CD2 LEU A 21 21.381 -3.065 1.306 1.00 0.00 C ATOM 0 H LEU A 21 17.608 -2.926 4.732 1.00 0.00 H new ATOM 0 HA LEU A 21 20.443 -3.431 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.399 -4.428 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 21 18.610 -2.841 1.804 1.00 0.00 H new ATOM 0 HG LEU A 21 20.793 -4.894 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.699 -5.068 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.147 -5.518 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 21 19.343 -3.915 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.202 -3.508 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.935 -2.258 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 21 21.760 -2.667 2.247 1.00 0.00 H new ATOM 339 N GLY A 22 18.540 -0.762 3.591 1.00 0.00 N ATOM 340 CA GLY A 22 18.541 0.694 3.464 1.00 0.00 C ATOM 341 C GLY A 22 17.945 1.357 4.699 1.00 0.00 C ATOM 342 O GLY A 22 16.737 1.273 4.918 1.00 0.00 O ATOM 0 H GLY A 22 17.604 -1.166 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.561 1.048 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.971 0.985 2.582 1.00 0.00 H new ATOM 346 N THR A 23 18.795 2.016 5.493 1.00 0.00 N ATOM 347 CA THR A 23 18.412 2.825 6.659 1.00 0.00 C ATOM 348 C THR A 23 17.345 3.867 6.294 1.00 0.00 C ATOM 349 O THR A 23 17.474 4.477 5.229 1.00 0.00 O ATOM 350 CB THR A 23 19.630 3.594 7.195 1.00 0.00 C ATOM 351 OG1 THR A 23 20.186 4.366 6.151 1.00 0.00 O ATOM 352 CG2 THR A 23 20.723 2.676 7.743 1.00 0.00 C ATOM 0 H THR A 23 19.803 2.002 5.338 1.00 0.00 H new ATOM 0 HA THR A 23 18.019 2.136 7.407 1.00 0.00 H new ATOM 0 HB THR A 23 19.275 4.217 8.015 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.477 4.637 5.531 1.00 0.00 H new ATOM 0 HG21 THR A 23 21.556 3.278 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.321 2.081 8.563 1.00 0.00 H new ATOM 0 HG23 THR A 23 21.073 2.014 6.951 1.00 0.00 H new ATOM 360 N PRO A 24 16.360 4.149 7.169 1.00 0.00 N ATOM 361 CA PRO A 24 15.295 5.104 6.883 1.00 0.00 C ATOM 362 C PRO A 24 15.794 6.512 6.541 1.00 0.00 C ATOM 363 O PRO A 24 16.761 7.008 7.124 1.00 0.00 O ATOM 364 CB PRO A 24 14.370 5.109 8.111 1.00 0.00 C ATOM 365 CG PRO A 24 15.205 4.464 9.214 1.00 0.00 C ATOM 366 CD PRO A 24 16.138 3.524 8.460 1.00 0.00 C ATOM 0 HA PRO A 24 14.765 4.792 5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.071 6.122 8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.456 4.546 7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.762 5.209 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.580 3.923 9.924 1.00 0.00 H new ATOM 0 HD2 PRO A 24 17.077 3.389 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.691 2.536 8.346 1.00 0.00 H new ATOM 374 N ALA A 25 15.059 7.177 5.646 1.00 0.00 N ATOM 375 CA ALA A 25 15.187 8.594 5.321 1.00 0.00 C ATOM 376 C ALA A 25 13.790 9.209 5.143 1.00 0.00 C ATOM 377 O ALA A 25 12.963 8.637 4.429 1.00 0.00 O ATOM 378 CB ALA A 25 16.036 8.737 4.053 1.00 0.00 C ATOM 0 H ALA A 25 14.326 6.718 5.105 1.00 0.00 H new ATOM 0 HA ALA A 25 15.684 9.130 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.138 9.792 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.023 8.308 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.551 8.212 3.230 1.00 0.00 H new ATOM 384 N ASP A 26 13.500 10.343 5.800 1.00 0.00 N ATOM 385 CA ASP A 26 12.222 11.031 5.587 1.00 0.00 C ATOM 386 C ASP A 26 12.164 11.639 4.174 1.00 0.00 C ATOM 387 O ASP A 26 13.122 12.253 3.704 1.00 0.00 O ATOM 388 CB ASP A 26 11.922 12.066 6.685 1.00 0.00 C ATOM 389 CG ASP A 26 10.450 12.523 6.682 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.069 13.265 5.747 1.00 0.00 O ATOM 391 OD2 ASP A 26 9.717 12.150 7.633 1.00 0.00 O ATOM 0 H ASP A 26 14.122 10.794 6.471 1.00 0.00 H new ATOM 0 HA ASP A 26 11.429 10.287 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.164 11.639 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.568 12.933 6.548 1.00 0.00 H new ATOM 396 N THR A 27 11.027 11.467 3.497 1.00 0.00 N ATOM 397 CA THR A 27 10.723 11.961 2.150 1.00 0.00 C ATOM 398 C THR A 27 10.597 13.485 2.059 1.00 0.00 C ATOM 399 O THR A 27 10.354 14.009 0.971 1.00 0.00 O ATOM 400 CB THR A 27 9.404 11.336 1.655 1.00 0.00 C ATOM 401 OG1 THR A 27 8.361 11.602 2.574 1.00 0.00 O ATOM 402 CG2 THR A 27 9.535 9.828 1.456 1.00 0.00 C ATOM 0 H THR A 27 10.246 10.948 3.898 1.00 0.00 H new ATOM 0 HA THR A 27 11.569 11.669 1.528 1.00 0.00 H new ATOM 0 HB THR A 27 9.169 11.788 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.674 10.907 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.585 9.423 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.310 9.624 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.804 9.358 2.402 1.00 0.00 H new ATOM 410 N GLY A 28 10.651 14.207 3.186 1.00 0.00 N ATOM 411 CA GLY A 28 10.319 15.631 3.279 1.00 0.00 C ATOM 412 C GLY A 28 8.810 15.893 3.203 1.00 0.00 C ATOM 413 O GLY A 28 8.363 16.997 3.498 1.00 0.00 O ATOM 0 H GLY A 28 10.934 13.805 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.706 16.030 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.818 16.170 2.474 1.00 0.00 H new ATOM 417 N HIS A 29 8.029 14.866 2.849 1.00 0.00 N ATOM 418 CA HIS A 29 6.573 14.848 2.839 1.00 0.00 C ATOM 419 C HIS A 29 6.021 14.256 4.154 1.00 0.00 C ATOM 420 O HIS A 29 4.810 14.251 4.356 1.00 0.00 O ATOM 421 CB HIS A 29 6.094 14.060 1.603 1.00 0.00 C ATOM 422 CG HIS A 29 6.574 14.594 0.266 1.00 0.00 C ATOM 423 ND1 HIS A 29 7.875 14.634 -0.203 1.00 0.00 N ATOM 424 CD2 HIS A 29 5.771 15.077 -0.734 1.00 0.00 C ATOM 425 CE1 HIS A 29 7.846 15.141 -1.447 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.587 15.426 -1.813 1.00 0.00 N ATOM 0 H HIS A 29 8.425 13.977 2.545 1.00 0.00 H new ATOM 0 HA HIS A 29 6.190 15.866 2.773 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.424 13.026 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.004 14.048 1.600 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.707 14.333 0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.696 15.171 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.716 15.298 -2.067 1.00 0.00 H new ATOM 434 N GLY A 30 6.897 13.785 5.061 1.00 0.00 N ATOM 435 CA GLY A 30 6.559 13.308 6.405 1.00 0.00 C ATOM 436 C GLY A 30 6.567 11.784 6.568 1.00 0.00 C ATOM 437 O GLY A 30 6.378 11.299 7.684 1.00 0.00 O ATOM 0 H GLY A 30 7.896 13.726 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.264 13.739 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.570 13.682 6.670 1.00 0.00 H new ATOM 441 N THR A 31 6.789 11.030 5.487 1.00 0.00 N ATOM 442 CA THR A 31 6.966 9.571 5.490 1.00 0.00 C ATOM 443 C THR A 31 8.454 9.214 5.504 1.00 0.00 C ATOM 444 O THR A 31 9.269 10.000 5.036 1.00 0.00 O ATOM 445 CB THR A 31 6.307 8.946 4.247 1.00 0.00 C ATOM 446 OG1 THR A 31 6.834 9.498 3.056 1.00 0.00 O ATOM 447 CG2 THR A 31 4.793 9.161 4.237 1.00 0.00 C ATOM 0 H THR A 31 6.853 11.431 4.551 1.00 0.00 H new ATOM 0 HA THR A 31 6.491 9.175 6.387 1.00 0.00 H new ATOM 0 HB THR A 31 6.523 7.879 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.519 8.979 2.287 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.367 8.705 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.354 8.702 5.123 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.577 10.229 4.237 1.00 0.00 H new ATOM 455 N VAL A 32 8.826 8.017 5.972 1.00 0.00 N ATOM 456 CA VAL A 32 10.189 7.469 5.850 1.00 0.00 C ATOM 457 C VAL A 32 10.223 6.361 4.809 1.00 0.00 C ATOM 458 O VAL A 32 9.526 5.356 4.955 1.00 0.00 O ATOM 459 CB VAL A 32 10.798 6.950 7.172 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.444 8.089 7.969 1.00 0.00 C ATOM 461 CG2 VAL A 32 9.806 6.215 8.074 1.00 0.00 C ATOM 0 H VAL A 32 8.182 7.390 6.454 1.00 0.00 H new ATOM 0 HA VAL A 32 10.807 8.312 5.541 1.00 0.00 H new ATOM 0 HB VAL A 32 11.551 6.225 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.864 7.693 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.237 8.544 7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.691 8.841 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.314 5.884 8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.990 6.887 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.406 5.350 7.546 1.00 0.00 H new ATOM 471 N VAL A 33 11.073 6.535 3.792 1.00 0.00 N ATOM 472 CA VAL A 33 11.512 5.454 2.908 1.00 0.00 C ATOM 473 C VAL A 33 12.623 4.652 3.599 1.00 0.00 C ATOM 474 O VAL A 33 13.609 5.236 4.047 1.00 0.00 O ATOM 475 CB VAL A 33 11.979 5.969 1.528 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.775 6.357 0.664 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.955 7.153 1.547 1.00 0.00 C ATOM 0 H VAL A 33 11.479 7.441 3.558 1.00 0.00 H new ATOM 0 HA VAL A 33 10.656 4.807 2.718 1.00 0.00 H new ATOM 0 HB VAL A 33 12.530 5.126 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.123 6.717 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.136 5.486 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.208 7.144 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.213 7.428 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.487 8.003 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.859 6.870 2.086 1.00 0.00 H new ATOM 487 N LEU A 34 12.465 3.326 3.702 1.00 0.00 N ATOM 488 CA LEU A 34 13.478 2.386 4.206 1.00 0.00 C ATOM 489 C LEU A 34 13.448 1.069 3.419 1.00 0.00 C ATOM 490 O LEU A 34 12.419 0.732 2.842 1.00 0.00 O ATOM 491 CB LEU A 34 13.333 2.209 5.736 1.00 0.00 C ATOM 492 CG LEU A 34 12.164 1.432 6.384 1.00 0.00 C ATOM 493 CD1 LEU A 34 10.772 1.946 6.016 1.00 0.00 C ATOM 494 CD2 LEU A 34 12.218 -0.078 6.156 1.00 0.00 C ATOM 0 H LEU A 34 11.600 2.861 3.428 1.00 0.00 H new ATOM 0 HA LEU A 34 14.473 2.800 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.251 1.733 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.314 3.211 6.164 1.00 0.00 H new ATOM 0 HG LEU A 34 12.320 1.628 7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.016 1.340 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.672 2.985 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.633 1.880 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.364 -0.550 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.188 -0.286 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.141 -0.477 6.577 1.00 0.00 H new ATOM 506 N GLU A 35 14.549 0.310 3.375 1.00 0.00 N ATOM 507 CA GLU A 35 14.640 -0.916 2.565 1.00 0.00 C ATOM 508 C GLU A 35 15.066 -2.133 3.384 1.00 0.00 C ATOM 509 O GLU A 35 16.059 -2.105 4.118 1.00 0.00 O ATOM 510 CB GLU A 35 15.555 -0.709 1.341 1.00 0.00 C ATOM 511 CG GLU A 35 15.772 -2.012 0.555 1.00 0.00 C ATOM 512 CD GLU A 35 16.320 -1.782 -0.851 1.00 0.00 C ATOM 513 OE1 GLU A 35 15.517 -1.515 -1.776 1.00 0.00 O ATOM 514 OE2 GLU A 35 17.544 -1.950 -1.064 1.00 0.00 O ATOM 0 H GLU A 35 15.399 0.524 3.896 1.00 0.00 H new ATOM 0 HA GLU A 35 13.634 -1.127 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.116 0.042 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.518 -0.320 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 35 16.462 -2.651 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.826 -2.549 0.486 1.00 0.00 H new ATOM 521 N LEU A 36 14.350 -3.239 3.150 1.00 0.00 N ATOM 522 CA LEU A 36 14.733 -4.581 3.564 1.00 0.00 C ATOM 523 C LEU A 36 14.844 -5.496 2.334 1.00 0.00 C ATOM 524 O LEU A 36 14.388 -5.170 1.236 1.00 0.00 O ATOM 525 CB LEU A 36 13.719 -5.140 4.585 1.00 0.00 C ATOM 526 CG LEU A 36 13.587 -4.318 5.884 1.00 0.00 C ATOM 527 CD1 LEU A 36 12.312 -3.472 5.874 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.531 -5.234 7.112 1.00 0.00 C ATOM 0 H LEU A 36 13.461 -3.217 2.651 1.00 0.00 H new ATOM 0 HA LEU A 36 15.708 -4.540 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.740 -5.199 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.010 -6.158 4.844 1.00 0.00 H new ATOM 0 HG LEU A 36 14.464 -3.672 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.245 -2.903 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.338 -2.785 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.443 -4.124 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.438 -4.629 8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.671 -5.899 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.444 -5.827 7.166 1.00 0.00 H new ATOM 540 N GLN A 37 15.419 -6.677 2.540 1.00 0.00 N ATOM 541 CA GLN A 37 15.425 -7.771 1.580 1.00 0.00 C ATOM 542 C GLN A 37 14.889 -9.047 2.236 1.00 0.00 C ATOM 543 O GLN A 37 15.118 -9.295 3.423 1.00 0.00 O ATOM 544 CB GLN A 37 16.824 -7.931 0.964 1.00 0.00 C ATOM 545 CG GLN A 37 17.891 -8.415 1.961 1.00 0.00 C ATOM 546 CD GLN A 37 19.311 -8.256 1.427 1.00 0.00 C ATOM 547 OE1 GLN A 37 20.166 -7.649 2.059 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.621 -8.797 0.263 1.00 0.00 N ATOM 0 H GLN A 37 15.908 -6.904 3.406 1.00 0.00 H new ATOM 0 HA GLN A 37 14.754 -7.547 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.767 -8.637 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.138 -6.975 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.793 -7.856 2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.712 -9.464 2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.913 -9.304 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.568 -8.708 -0.105 1.00 0.00 H new ATOM 557 N TYR A 38 14.150 -9.834 1.458 1.00 0.00 N ATOM 558 CA TYR A 38 13.412 -11.004 1.921 1.00 0.00 C ATOM 559 C TYR A 38 14.244 -12.272 1.680 1.00 0.00 C ATOM 560 O TYR A 38 14.326 -12.786 0.566 1.00 0.00 O ATOM 561 CB TYR A 38 12.052 -11.005 1.224 1.00 0.00 C ATOM 562 CG TYR A 38 11.021 -11.929 1.836 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.111 -13.324 1.664 1.00 0.00 C ATOM 564 CD2 TYR A 38 9.963 -11.385 2.585 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.162 -14.172 2.262 1.00 0.00 C ATOM 566 CE2 TYR A 38 9.014 -12.224 3.193 1.00 0.00 C ATOM 567 CZ TYR A 38 9.116 -13.621 3.036 1.00 0.00 C ATOM 568 OH TYR A 38 8.195 -14.422 3.628 1.00 0.00 O ATOM 0 H TYR A 38 14.046 -9.669 0.457 1.00 0.00 H new ATOM 0 HA TYR A 38 13.230 -10.976 2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.657 -9.989 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.195 -11.285 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.911 -13.743 1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.879 -10.314 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.232 -15.242 2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.211 -11.801 3.778 1.00 0.00 H new ATOM 0 HH TYR A 38 8.620 -15.261 3.902 1.00 0.00 H new ATOM 578 N THR A 39 14.928 -12.741 2.725 1.00 0.00 N ATOM 579 CA THR A 39 16.054 -13.691 2.693 1.00 0.00 C ATOM 580 C THR A 39 15.677 -15.168 2.504 1.00 0.00 C ATOM 581 O THR A 39 16.544 -16.030 2.642 1.00 0.00 O ATOM 582 CB THR A 39 16.900 -13.525 3.972 1.00 0.00 C ATOM 583 OG1 THR A 39 16.079 -13.492 5.121 1.00 0.00 O ATOM 584 CG2 THR A 39 17.697 -12.222 3.944 1.00 0.00 C ATOM 0 H THR A 39 14.701 -12.453 3.677 1.00 0.00 H new ATOM 0 HA THR A 39 16.621 -13.434 1.798 1.00 0.00 H new ATOM 0 HB THR A 39 17.576 -14.379 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.638 -13.388 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.283 -12.134 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.366 -12.223 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.012 -11.378 3.870 1.00 0.00 H new ATOM 592 N GLY A 40 14.416 -15.490 2.195 1.00 0.00 N ATOM 593 CA GLY A 40 13.923 -16.868 2.118 1.00 0.00 C ATOM 594 C GLY A 40 12.823 -17.072 1.080 1.00 0.00 C ATOM 595 O GLY A 40 12.328 -16.122 0.475 1.00 0.00 O ATOM 0 H GLY A 40 13.701 -14.792 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.757 -17.530 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.545 -17.164 3.097 1.00 0.00 H new ATOM 599 N THR A 41 12.445 -18.337 0.884 1.00 0.00 N ATOM 600 CA THR A 41 11.505 -18.817 -0.143 1.00 0.00 C ATOM 601 C THR A 41 10.062 -18.970 0.354 1.00 0.00 C ATOM 602 O THR A 41 9.199 -19.378 -0.417 1.00 0.00 O ATOM 603 CB THR A 41 11.994 -20.172 -0.686 1.00 0.00 C ATOM 604 OG1 THR A 41 12.274 -21.054 0.384 1.00 0.00 O ATOM 605 CG2 THR A 41 13.272 -20.023 -1.514 1.00 0.00 C ATOM 0 H THR A 41 12.802 -19.096 1.464 1.00 0.00 H new ATOM 0 HA THR A 41 11.487 -18.055 -0.922 1.00 0.00 H new ATOM 0 HB THR A 41 11.198 -20.566 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.583 -21.913 0.028 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.585 -21.001 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.082 -19.363 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.061 -19.598 -0.893 1.00 0.00 H new ATOM 613 N ASP A 42 9.798 -18.693 1.634 1.00 0.00 N ATOM 614 CA ASP A 42 8.551 -19.003 2.336 1.00 0.00 C ATOM 615 C ASP A 42 8.060 -17.839 3.217 1.00 0.00 C ATOM 616 O ASP A 42 8.771 -16.853 3.410 1.00 0.00 O ATOM 617 CB ASP A 42 8.792 -20.262 3.185 1.00 0.00 C ATOM 618 CG ASP A 42 9.749 -20.003 4.356 1.00 0.00 C ATOM 619 OD1 ASP A 42 10.944 -19.691 4.124 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.307 -20.112 5.523 1.00 0.00 O ATOM 0 H ASP A 42 10.478 -18.226 2.235 1.00 0.00 H new ATOM 0 HA ASP A 42 7.764 -19.173 1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.839 -20.624 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.200 -21.051 2.553 1.00 0.00 H new ATOM 625 N GLY A 43 6.857 -17.975 3.790 1.00 0.00 N ATOM 626 CA GLY A 43 6.345 -17.113 4.864 1.00 0.00 C ATOM 627 C GLY A 43 5.149 -16.186 4.563 1.00 0.00 C ATOM 628 O GLY A 43 5.192 -15.057 5.049 1.00 0.00 O ATOM 0 H GLY A 43 6.198 -18.703 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.063 -17.756 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.169 -16.488 5.208 1.00 0.00 H new ATOM 632 N PRO A 44 4.067 -16.604 3.862 1.00 0.00 N ATOM 633 CA PRO A 44 2.778 -15.896 3.890 1.00 0.00 C ATOM 634 C PRO A 44 2.316 -15.577 5.327 1.00 0.00 C ATOM 635 O PRO A 44 1.953 -16.490 6.070 1.00 0.00 O ATOM 636 CB PRO A 44 1.771 -16.794 3.157 1.00 0.00 C ATOM 637 CG PRO A 44 2.647 -17.654 2.255 1.00 0.00 C ATOM 638 CD PRO A 44 3.940 -17.809 3.054 1.00 0.00 C ATOM 0 HA PRO A 44 2.867 -14.927 3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.195 -17.402 3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.056 -16.207 2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.185 -18.619 2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.825 -17.174 1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.904 -18.698 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.796 -17.924 2.390 1.00 0.00 H new ATOM 646 N CYS A 45 2.410 -14.312 5.762 1.00 0.00 N ATOM 647 CA CYS A 45 2.267 -13.948 7.177 1.00 0.00 C ATOM 648 C CYS A 45 1.999 -12.442 7.412 1.00 0.00 C ATOM 649 O CYS A 45 2.236 -11.606 6.535 1.00 0.00 O ATOM 650 CB CYS A 45 3.515 -14.438 7.930 1.00 0.00 C ATOM 651 SG CYS A 45 3.151 -15.193 9.536 1.00 0.00 S ATOM 0 H CYS A 45 2.586 -13.518 5.146 1.00 0.00 H new ATOM 0 HA CYS A 45 1.376 -14.440 7.567 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.041 -15.163 7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.191 -13.596 8.080 1.00 0.00 H new ATOM 656 N LYS A 46 1.511 -12.070 8.607 1.00 0.00 N ATOM 657 CA LYS A 46 1.215 -10.681 9.003 1.00 0.00 C ATOM 658 C LYS A 46 2.503 -9.975 9.467 1.00 0.00 C ATOM 659 O LYS A 46 2.913 -10.135 10.617 1.00 0.00 O ATOM 660 CB LYS A 46 0.091 -10.674 10.060 1.00 0.00 C ATOM 661 CG LYS A 46 -0.590 -9.308 10.204 1.00 0.00 C ATOM 662 CD LYS A 46 -1.506 -9.171 11.431 1.00 0.00 C ATOM 663 CE LYS A 46 -2.569 -10.264 11.635 1.00 0.00 C ATOM 664 NZ LYS A 46 -3.384 -10.524 10.427 1.00 0.00 N ATOM 0 H LYS A 46 1.306 -12.744 9.345 1.00 0.00 H new ATOM 0 HA LYS A 46 0.848 -10.111 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.657 -11.420 9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.505 -10.971 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.179 -8.538 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.177 -9.114 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.877 -9.140 12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.016 -8.210 11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.076 -11.188 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.228 -9.972 12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.384 -10.621 10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.281 -9.732 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.061 -11.402 9.973 1.00 0.00 H new ATOM 678 N VAL A 47 3.164 -9.258 8.548 1.00 0.00 N ATOM 679 CA VAL A 47 4.511 -8.678 8.710 1.00 0.00 C ATOM 680 C VAL A 47 4.623 -7.688 9.886 1.00 0.00 C ATOM 681 O VAL A 47 4.011 -6.620 9.853 1.00 0.00 O ATOM 682 CB VAL A 47 5.064 -8.089 7.391 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.136 -7.089 6.693 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.442 -7.435 7.582 1.00 0.00 C ATOM 0 H VAL A 47 2.761 -9.056 7.633 1.00 0.00 H new ATOM 0 HA VAL A 47 5.154 -9.517 8.976 1.00 0.00 H new ATOM 0 HB VAL A 47 5.147 -8.959 6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.609 -6.731 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.193 -7.578 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.945 -6.246 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.790 -7.036 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.363 -6.626 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.151 -8.179 7.944 1.00 0.00 H new ATOM 694 N PRO A 48 5.420 -7.999 10.927 1.00 0.00 N ATOM 695 CA PRO A 48 5.578 -7.139 12.090 1.00 0.00 C ATOM 696 C PRO A 48 6.573 -5.992 11.833 1.00 0.00 C ATOM 697 O PRO A 48 7.740 -6.067 12.219 1.00 0.00 O ATOM 698 CB PRO A 48 6.037 -8.087 13.194 1.00 0.00 C ATOM 699 CG PRO A 48 6.911 -9.091 12.445 1.00 0.00 C ATOM 700 CD PRO A 48 6.167 -9.239 11.122 1.00 0.00 C ATOM 0 HA PRO A 48 4.655 -6.624 12.357 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.597 -7.563 13.968 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.194 -8.573 13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.926 -8.721 12.302 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.989 -10.039 12.977 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.864 -9.405 10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.495 -10.097 11.148 1.00 0.00 H new ATOM 708 N ILE A 49 6.098 -4.906 11.217 1.00 0.00 N ATOM 709 CA ILE A 49 6.797 -3.613 11.169 1.00 0.00 C ATOM 710 C ILE A 49 5.863 -2.496 11.653 1.00 0.00 C ATOM 711 O ILE A 49 4.666 -2.518 11.364 1.00 0.00 O ATOM 712 CB ILE A 49 7.429 -3.353 9.780 1.00 0.00 C ATOM 713 CG1 ILE A 49 8.324 -2.091 9.824 1.00 0.00 C ATOM 714 CG2 ILE A 49 6.376 -3.221 8.670 1.00 0.00 C ATOM 715 CD1 ILE A 49 9.184 -1.877 8.572 1.00 0.00 C ATOM 0 H ILE A 49 5.202 -4.897 10.729 1.00 0.00 H new ATOM 0 HA ILE A 49 7.643 -3.634 11.856 1.00 0.00 H new ATOM 0 HB ILE A 49 8.041 -4.223 9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.690 -1.216 9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.979 -2.156 10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.873 -3.040 7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.796 -4.142 8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.711 -2.388 8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.778 -0.971 8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.847 -2.731 8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.538 -1.777 7.700 1.00 0.00 H new ATOM 727 N SER A 50 6.403 -1.544 12.422 1.00 0.00 N ATOM 728 CA SER A 50 5.623 -0.562 13.186 1.00 0.00 C ATOM 729 C SER A 50 6.240 0.846 13.180 1.00 0.00 C ATOM 730 O SER A 50 7.392 1.036 12.789 1.00 0.00 O ATOM 731 CB SER A 50 5.481 -1.105 14.608 1.00 0.00 C ATOM 732 OG SER A 50 4.732 -0.234 15.426 1.00 0.00 O ATOM 0 H SER A 50 7.411 -1.432 12.533 1.00 0.00 H new ATOM 0 HA SER A 50 4.648 -0.437 12.715 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.998 -2.082 14.578 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.470 -1.252 15.042 1.00 0.00 H new ATOM 0 HG SER A 50 4.958 -0.393 16.366 1.00 0.00 H new ATOM 738 N SER A 51 5.447 1.832 13.620 1.00 0.00 N ATOM 739 CA SER A 51 5.706 3.274 13.582 1.00 0.00 C ATOM 740 C SER A 51 5.255 3.935 14.894 1.00 0.00 C ATOM 741 O SER A 51 4.053 4.108 15.130 1.00 0.00 O ATOM 742 CB SER A 51 4.975 3.898 12.381 1.00 0.00 C ATOM 743 OG SER A 51 5.281 5.274 12.297 1.00 0.00 O ATOM 0 H SER A 51 4.542 1.625 14.042 1.00 0.00 H new ATOM 0 HA SER A 51 6.777 3.442 13.470 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.271 3.393 11.461 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.899 3.761 12.487 1.00 0.00 H new ATOM 0 HG SER A 51 4.692 5.701 11.641 1.00 0.00 H new ATOM 749 N VAL A 52 6.210 4.296 15.763 1.00 0.00 N ATOM 750 CA VAL A 52 5.945 4.971 17.047 1.00 0.00 C ATOM 751 C VAL A 52 6.851 6.190 17.267 1.00 0.00 C ATOM 752 O VAL A 52 7.809 6.409 16.531 1.00 0.00 O ATOM 753 CB VAL A 52 6.008 3.985 18.236 1.00 0.00 C ATOM 754 CG1 VAL A 52 4.836 3.007 18.211 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.314 3.191 18.323 1.00 0.00 C ATOM 0 H VAL A 52 7.202 4.126 15.594 1.00 0.00 H new ATOM 0 HA VAL A 52 4.924 5.350 16.994 1.00 0.00 H new ATOM 0 HB VAL A 52 5.954 4.619 19.121 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.911 2.328 19.060 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.899 3.561 18.270 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.861 2.433 17.285 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.277 2.523 19.184 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.444 2.604 17.414 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.152 3.880 18.434 1.00 0.00 H new ATOM 765 N ALA A 53 6.540 6.998 18.289 1.00 0.00 N ATOM 766 CA ALA A 53 7.197 8.281 18.566 1.00 0.00 C ATOM 767 C ALA A 53 8.056 8.275 19.847 1.00 0.00 C ATOM 768 O ALA A 53 8.654 9.291 20.201 1.00 0.00 O ATOM 769 CB ALA A 53 6.123 9.375 18.589 1.00 0.00 C ATOM 0 H ALA A 53 5.807 6.772 18.962 1.00 0.00 H new ATOM 0 HA ALA A 53 7.914 8.480 17.769 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.590 10.339 18.794 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.621 9.413 17.622 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.394 9.152 19.368 1.00 0.00 H new ATOM 775 N SER A 54 8.145 7.153 20.572 1.00 0.00 N ATOM 776 CA SER A 54 9.024 7.002 21.746 1.00 0.00 C ATOM 777 C SER A 54 9.472 5.547 21.974 1.00 0.00 C ATOM 778 O SER A 54 9.705 5.143 23.109 1.00 0.00 O ATOM 779 CB SER A 54 8.324 7.588 22.982 1.00 0.00 C ATOM 780 OG SER A 54 8.140 8.980 22.802 1.00 0.00 O ATOM 0 H SER A 54 7.605 6.314 20.361 1.00 0.00 H new ATOM 0 HA SER A 54 9.942 7.559 21.558 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.362 7.099 23.134 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.921 7.401 23.875 1.00 0.00 H new ATOM 0 HG SER A 54 8.626 9.274 22.003 1.00 0.00 H new ATOM 786 N LEU A 55 9.548 4.740 20.901 1.00 0.00 N ATOM 787 CA LEU A 55 9.827 3.287 20.912 1.00 0.00 C ATOM 788 C LEU A 55 8.807 2.461 21.742 1.00 0.00 C ATOM 789 O LEU A 55 8.970 1.263 21.958 1.00 0.00 O ATOM 790 CB LEU A 55 11.313 3.045 21.276 1.00 0.00 C ATOM 791 CG LEU A 55 12.058 2.064 20.342 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.568 2.157 20.583 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.637 0.605 20.514 1.00 0.00 C ATOM 0 H LEU A 55 9.410 5.097 19.956 1.00 0.00 H new ATOM 0 HA LEU A 55 9.676 2.899 19.905 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.835 4.002 21.266 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.365 2.664 22.296 1.00 0.00 H new ATOM 0 HG LEU A 55 11.793 2.365 19.328 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.086 1.463 19.921 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.907 3.173 20.380 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.787 1.902 21.620 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.204 -0.021 19.825 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.834 0.288 21.538 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.572 0.506 20.302 1.00 0.00 H new ATOM 805 N ASN A 56 7.706 3.091 22.159 1.00 0.00 N ATOM 806 CA ASN A 56 6.561 2.557 22.891 1.00 0.00 C ATOM 807 C ASN A 56 5.670 1.650 22.014 1.00 0.00 C ATOM 808 O ASN A 56 4.459 1.846 21.917 1.00 0.00 O ATOM 809 CB ASN A 56 5.806 3.766 23.481 1.00 0.00 C ATOM 810 CG ASN A 56 5.296 4.749 22.424 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.057 5.327 21.652 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.000 4.981 22.376 1.00 0.00 N ATOM 0 H ASN A 56 7.585 4.086 21.972 1.00 0.00 H new ATOM 0 HA ASN A 56 6.891 1.899 23.695 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.960 3.405 24.066 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.466 4.295 24.168 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.625 5.643 21.696 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.371 4.499 23.019 1.00 0.00 H new ATOM 819 N ASP A 57 6.276 0.651 21.362 1.00 0.00 N ATOM 820 CA ASP A 57 5.685 -0.118 20.258 1.00 0.00 C ATOM 821 C ASP A 57 4.447 -0.963 20.613 1.00 0.00 C ATOM 822 O ASP A 57 3.752 -1.459 19.732 1.00 0.00 O ATOM 823 CB ASP A 57 6.783 -0.956 19.592 1.00 0.00 C ATOM 824 CG ASP A 57 6.427 -1.287 18.143 1.00 0.00 C ATOM 825 OD1 ASP A 57 5.949 -0.362 17.440 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.671 -2.437 17.724 1.00 0.00 O ATOM 0 H ASP A 57 7.221 0.345 21.595 1.00 0.00 H new ATOM 0 HA ASP A 57 5.283 0.614 19.557 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.727 -0.412 19.622 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.929 -1.879 20.153 1.00 0.00 H new ATOM 831 N LEU A 58 4.109 -1.047 21.903 1.00 0.00 N ATOM 832 CA LEU A 58 2.832 -1.545 22.418 1.00 0.00 C ATOM 833 C LEU A 58 1.594 -0.746 21.950 1.00 0.00 C ATOM 834 O LEU A 58 0.466 -1.142 22.248 1.00 0.00 O ATOM 835 CB LEU A 58 2.913 -1.678 23.954 1.00 0.00 C ATOM 836 CG LEU A 58 3.414 -0.455 24.756 1.00 0.00 C ATOM 837 CD1 LEU A 58 2.499 0.770 24.667 1.00 0.00 C ATOM 838 CD2 LEU A 58 3.538 -0.845 26.232 1.00 0.00 C ATOM 0 H LEU A 58 4.744 -0.758 22.647 1.00 0.00 H new ATOM 0 HA LEU A 58 2.674 -2.531 21.982 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.920 -1.936 24.321 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.566 -2.520 24.184 1.00 0.00 H new ATOM 0 HG LEU A 58 4.371 -0.175 24.316 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.922 1.583 25.257 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.411 1.084 23.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.512 0.516 25.054 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.891 0.012 26.806 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.564 -1.158 26.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.247 -1.667 26.333 1.00 0.00 H new ATOM 850 N THR A 59 1.745 0.377 21.234 1.00 0.00 N ATOM 851 CA THR A 59 0.636 1.062 20.546 1.00 0.00 C ATOM 852 C THR A 59 1.164 1.884 19.354 1.00 0.00 C ATOM 853 O THR A 59 1.894 2.849 19.582 1.00 0.00 O ATOM 854 CB THR A 59 -0.149 1.960 21.519 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.675 1.184 22.573 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.354 2.627 20.849 1.00 0.00 C ATOM 0 H THR A 59 2.646 0.841 21.114 1.00 0.00 H new ATOM 0 HA THR A 59 -0.046 0.302 20.166 1.00 0.00 H new ATOM 0 HB THR A 59 0.555 2.716 21.868 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.583 0.233 22.356 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.876 3.250 21.576 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.013 3.246 20.019 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.033 1.861 20.475 1.00 0.00 H new ATOM 864 N PRO A 60 0.813 1.548 18.092 1.00 0.00 N ATOM 865 CA PRO A 60 1.321 2.229 16.899 1.00 0.00 C ATOM 866 C PRO A 60 0.798 3.670 16.800 1.00 0.00 C ATOM 867 O PRO A 60 -0.389 3.901 16.561 1.00 0.00 O ATOM 868 CB PRO A 60 0.891 1.365 15.709 1.00 0.00 C ATOM 869 CG PRO A 60 -0.376 0.675 16.211 1.00 0.00 C ATOM 870 CD PRO A 60 -0.092 0.473 17.700 1.00 0.00 C ATOM 0 HA PRO A 60 2.406 2.331 16.929 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.695 1.970 14.824 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.661 0.643 15.438 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.261 1.290 16.049 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.548 -0.273 15.701 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.014 0.509 18.280 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.360 -0.502 17.881 1.00 0.00 H new ATOM 878 N VAL A 61 1.687 4.653 16.973 1.00 0.00 N ATOM 879 CA VAL A 61 1.366 6.087 16.903 1.00 0.00 C ATOM 880 C VAL A 61 1.183 6.527 15.443 1.00 0.00 C ATOM 881 O VAL A 61 0.228 7.241 15.139 1.00 0.00 O ATOM 882 CB VAL A 61 2.434 6.944 17.620 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.962 8.397 17.762 1.00 0.00 C ATOM 884 CG2 VAL A 61 2.749 6.440 19.040 1.00 0.00 C ATOM 0 H VAL A 61 2.671 4.473 17.170 1.00 0.00 H new ATOM 0 HA VAL A 61 0.424 6.247 17.427 1.00 0.00 H new ATOM 0 HB VAL A 61 3.327 6.871 17.000 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.730 8.981 18.269 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.780 8.819 16.774 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.041 8.425 18.344 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.505 7.080 19.494 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.842 6.465 19.644 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.123 5.417 18.989 1.00 0.00 H new ATOM 894 N GLY A 62 2.013 6.020 14.523 1.00 0.00 N ATOM 895 CA GLY A 62 1.951 6.265 13.077 1.00 0.00 C ATOM 896 C GLY A 62 1.344 5.097 12.280 1.00 0.00 C ATOM 897 O GLY A 62 0.646 4.254 12.853 1.00 0.00 O ATOM 0 H GLY A 62 2.781 5.399 14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.362 7.164 12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.957 6.463 12.707 1.00 0.00 H new ATOM 901 N ARG A 63 1.573 5.052 10.958 1.00 0.00 N ATOM 902 CA ARG A 63 1.084 3.978 10.066 1.00 0.00 C ATOM 903 C ARG A 63 2.175 3.405 9.153 1.00 0.00 C ATOM 904 O ARG A 63 3.301 3.897 9.097 1.00 0.00 O ATOM 905 CB ARG A 63 -0.142 4.440 9.240 1.00 0.00 C ATOM 906 CG ARG A 63 0.211 5.490 8.172 1.00 0.00 C ATOM 907 CD ARG A 63 -0.741 5.577 6.976 1.00 0.00 C ATOM 908 NE ARG A 63 -2.137 5.728 7.384 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.753 6.796 7.859 1.00 0.00 C ATOM 910 NH1 ARG A 63 -2.182 7.968 8.025 1.00 0.00 N ATOM 911 NH2 ARG A 63 -4.013 6.638 8.173 1.00 0.00 N ATOM 0 H ARG A 63 2.110 5.768 10.468 1.00 0.00 H new ATOM 0 HA ARG A 63 0.771 3.166 10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.593 3.574 8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.892 4.854 9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.250 6.468 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.213 5.277 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.455 6.421 6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.638 4.679 6.367 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.715 4.893 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.200 8.096 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.721 8.750 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.460 5.730 8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.548 7.423 8.545 1.00 0.00 H new ATOM 925 N LEU A 64 1.778 2.388 8.386 1.00 0.00 N ATOM 926 CA LEU A 64 2.484 1.833 7.239 1.00 0.00 C ATOM 927 C LEU A 64 1.859 2.411 5.960 1.00 0.00 C ATOM 928 O LEU A 64 0.635 2.542 5.894 1.00 0.00 O ATOM 929 CB LEU A 64 2.354 0.301 7.257 1.00 0.00 C ATOM 930 CG LEU A 64 3.000 -0.416 8.463 1.00 0.00 C ATOM 931 CD1 LEU A 64 2.157 -0.395 9.749 1.00 0.00 C ATOM 932 CD2 LEU A 64 3.200 -1.878 8.070 1.00 0.00 C ATOM 0 H LEU A 64 0.899 1.902 8.564 1.00 0.00 H new ATOM 0 HA LEU A 64 3.542 2.092 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.295 0.045 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.799 -0.093 6.343 1.00 0.00 H new ATOM 0 HG LEU A 64 3.925 0.115 8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.689 -0.921 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.982 0.637 10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.201 -0.886 9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.656 -2.419 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.235 -2.326 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.852 -1.935 7.198 1.00 0.00 H new ATOM 944 N VAL A 65 2.678 2.759 4.959 1.00 0.00 N ATOM 945 CA VAL A 65 2.223 3.496 3.765 1.00 0.00 C ATOM 946 C VAL A 65 2.224 2.600 2.528 1.00 0.00 C ATOM 947 O VAL A 65 1.189 2.481 1.881 1.00 0.00 O ATOM 948 CB VAL A 65 3.069 4.767 3.553 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.714 5.529 2.269 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.930 5.732 4.733 1.00 0.00 C ATOM 0 H VAL A 65 3.674 2.540 4.951 1.00 0.00 H new ATOM 0 HA VAL A 65 1.193 3.810 3.931 1.00 0.00 H new ATOM 0 HB VAL A 65 4.096 4.411 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.347 6.412 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.874 4.882 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.668 5.835 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.539 6.618 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.886 6.025 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.266 5.241 5.646 1.00 0.00 H new ATOM 960 N THR A 66 3.362 1.970 2.196 1.00 0.00 N ATOM 961 CA THR A 66 3.527 1.179 0.961 1.00 0.00 C ATOM 962 C THR A 66 2.482 0.069 0.812 1.00 0.00 C ATOM 963 O THR A 66 1.801 0.017 -0.209 1.00 0.00 O ATOM 964 CB THR A 66 4.964 0.640 0.872 1.00 0.00 C ATOM 965 OG1 THR A 66 5.798 1.697 0.478 1.00 0.00 O ATOM 966 CG2 THR A 66 5.214 -0.487 -0.127 1.00 0.00 C ATOM 0 H THR A 66 4.199 1.994 2.778 1.00 0.00 H new ATOM 0 HA THR A 66 3.353 1.847 0.117 1.00 0.00 H new ATOM 0 HB THR A 66 5.163 0.228 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.557 1.343 -0.031 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.264 -0.777 -0.093 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.592 -1.345 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.964 -0.145 -1.131 1.00 0.00 H new ATOM 974 N VAL A 67 2.345 -0.805 1.817 1.00 0.00 N ATOM 975 CA VAL A 67 1.240 -1.763 1.966 1.00 0.00 C ATOM 976 C VAL A 67 0.961 -1.888 3.472 1.00 0.00 C ATOM 977 O VAL A 67 1.877 -1.753 4.285 1.00 0.00 O ATOM 978 CB VAL A 67 1.569 -3.148 1.341 1.00 0.00 C ATOM 979 CG1 VAL A 67 0.335 -4.063 1.283 1.00 0.00 C ATOM 980 CG2 VAL A 67 2.065 -3.081 -0.113 1.00 0.00 C ATOM 0 H VAL A 67 3.024 -0.867 2.576 1.00 0.00 H new ATOM 0 HA VAL A 67 0.362 -1.403 1.430 1.00 0.00 H new ATOM 0 HB VAL A 67 2.350 -3.531 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.612 -5.019 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.044 -4.227 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.439 -3.592 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.272 -4.089 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.299 -2.622 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.976 -2.485 -0.159 1.00 0.00 H new ATOM 990 N ASN A 68 -0.293 -2.143 3.857 1.00 0.00 N ATOM 991 CA ASN A 68 -0.631 -2.522 5.233 1.00 0.00 C ATOM 992 C ASN A 68 -0.057 -3.929 5.568 1.00 0.00 C ATOM 993 O ASN A 68 0.263 -4.697 4.659 1.00 0.00 O ATOM 994 CB ASN A 68 -2.158 -2.403 5.410 1.00 0.00 C ATOM 995 CG ASN A 68 -2.559 -1.331 6.417 1.00 0.00 C ATOM 996 OD1 ASN A 68 -3.042 -1.650 7.492 1.00 0.00 O ATOM 997 ND2 ASN A 68 -2.374 -0.058 6.115 1.00 0.00 N ATOM 0 H ASN A 68 -1.096 -2.093 3.230 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.168 -1.848 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.613 -2.177 4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.557 -3.365 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.635 0.668 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.970 0.199 5.214 1.00 0.00 H new ATOM 1004 N PRO A 69 0.120 -4.290 6.854 1.00 0.00 N ATOM 1005 CA PRO A 69 1.064 -5.337 7.261 1.00 0.00 C ATOM 1006 C PRO A 69 0.590 -6.785 7.020 1.00 0.00 C ATOM 1007 O PRO A 69 0.384 -7.539 7.965 1.00 0.00 O ATOM 1008 CB PRO A 69 1.374 -5.041 8.738 1.00 0.00 C ATOM 1009 CG PRO A 69 0.106 -4.359 9.236 1.00 0.00 C ATOM 1010 CD PRO A 69 -0.362 -3.565 8.018 1.00 0.00 C ATOM 0 HA PRO A 69 1.955 -5.298 6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.584 -5.954 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.246 -4.395 8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.642 -5.084 9.556 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.306 -3.709 10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.449 -3.481 8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.036 -2.551 8.038 1.00 0.00 H new ATOM 1018 N PHE A 70 0.497 -7.234 5.763 1.00 0.00 N ATOM 1019 CA PHE A 70 0.421 -8.665 5.442 1.00 0.00 C ATOM 1020 C PHE A 70 1.167 -9.038 4.155 1.00 0.00 C ATOM 1021 O PHE A 70 0.864 -8.557 3.065 1.00 0.00 O ATOM 1022 CB PHE A 70 -1.027 -9.177 5.474 1.00 0.00 C ATOM 1023 CG PHE A 70 -1.938 -8.748 4.337 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -2.486 -7.450 4.311 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -2.310 -9.681 3.349 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -3.396 -7.089 3.302 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -3.219 -9.319 2.339 1.00 0.00 C ATOM 1028 CZ PHE A 70 -3.762 -8.021 2.315 1.00 0.00 C ATOM 0 H PHE A 70 0.472 -6.623 4.947 1.00 0.00 H new ATOM 0 HA PHE A 70 0.955 -9.190 6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.000 -10.267 5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.480 -8.853 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.207 -6.731 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.895 -10.678 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.815 -6.094 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.500 -10.037 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.459 -7.741 1.539 1.00 0.00 H new ATOM 1038 N VAL A 71 2.155 -9.929 4.292 1.00 0.00 N ATOM 1039 CA VAL A 71 2.837 -10.595 3.183 1.00 0.00 C ATOM 1040 C VAL A 71 1.949 -11.760 2.749 1.00 0.00 C ATOM 1041 O VAL A 71 1.964 -12.823 3.361 1.00 0.00 O ATOM 1042 CB VAL A 71 4.251 -11.054 3.608 1.00 0.00 C ATOM 1043 CG1 VAL A 71 4.922 -11.916 2.534 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.146 -9.828 3.841 1.00 0.00 C ATOM 0 H VAL A 71 2.511 -10.213 5.205 1.00 0.00 H new ATOM 0 HA VAL A 71 2.986 -9.917 2.342 1.00 0.00 H new ATOM 0 HB VAL A 71 4.134 -11.642 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.913 -12.216 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.317 -12.804 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.014 -11.342 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.141 -10.156 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.216 -9.249 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.716 -9.208 4.628 1.00 0.00 H new ATOM 1054 N SER A 72 1.120 -11.544 1.724 1.00 0.00 N ATOM 1055 CA SER A 72 0.123 -12.529 1.280 1.00 0.00 C ATOM 1056 C SER A 72 0.680 -13.716 0.473 1.00 0.00 C ATOM 1057 O SER A 72 -0.107 -14.590 0.098 1.00 0.00 O ATOM 1058 CB SER A 72 -0.956 -11.822 0.454 1.00 0.00 C ATOM 1059 OG SER A 72 -2.024 -12.718 0.229 1.00 0.00 O ATOM 0 H SER A 72 1.119 -10.683 1.177 1.00 0.00 H new ATOM 0 HA SER A 72 -0.280 -12.962 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.312 -10.936 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.542 -11.484 -0.496 1.00 0.00 H new ATOM 0 HG SER A 72 -1.693 -13.639 0.276 1.00 0.00 H new ATOM 1065 N VAL A 73 1.985 -13.735 0.166 1.00 0.00 N ATOM 1066 CA VAL A 73 2.631 -14.637 -0.802 1.00 0.00 C ATOM 1067 C VAL A 73 4.041 -15.033 -0.361 1.00 0.00 C ATOM 1068 O VAL A 73 4.802 -14.206 0.134 1.00 0.00 O ATOM 1069 CB VAL A 73 2.741 -13.990 -2.208 1.00 0.00 C ATOM 1070 CG1 VAL A 73 1.549 -14.375 -3.087 1.00 0.00 C ATOM 1071 CG2 VAL A 73 2.901 -12.460 -2.200 1.00 0.00 C ATOM 0 H VAL A 73 2.648 -13.096 0.603 1.00 0.00 H new ATOM 0 HA VAL A 73 1.995 -15.521 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 73 3.664 -14.393 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.653 -13.907 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.518 -15.458 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.626 -14.034 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.970 -12.096 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.039 -12.007 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.808 -12.192 -1.658 1.00 0.00 H new ATOM 1081 N ALA A 74 4.421 -16.284 -0.646 1.00 0.00 N ATOM 1082 CA ALA A 74 5.790 -16.786 -0.499 1.00 0.00 C ATOM 1083 C ALA A 74 6.773 -16.137 -1.495 1.00 0.00 C ATOM 1084 O ALA A 74 7.976 -16.103 -1.248 1.00 0.00 O ATOM 1085 CB ALA A 74 5.748 -18.307 -0.688 1.00 0.00 C ATOM 0 H ALA A 74 3.771 -16.989 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 74 6.160 -16.525 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.754 -18.714 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.098 -18.750 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.362 -18.540 -1.681 1.00 0.00 H new ATOM 1091 N THR A 75 6.255 -15.576 -2.597 1.00 0.00 N ATOM 1092 CA THR A 75 6.958 -14.895 -3.697 1.00 0.00 C ATOM 1093 C THR A 75 7.577 -13.537 -3.313 1.00 0.00 C ATOM 1094 O THR A 75 8.100 -12.828 -4.168 1.00 0.00 O ATOM 1095 CB THR A 75 5.996 -14.690 -4.888 1.00 0.00 C ATOM 1096 OG1 THR A 75 4.930 -15.622 -4.871 1.00 0.00 O ATOM 1097 CG2 THR A 75 6.706 -14.868 -6.233 1.00 0.00 C ATOM 0 H THR A 75 5.248 -15.587 -2.756 1.00 0.00 H new ATOM 0 HA THR A 75 7.787 -15.550 -3.964 1.00 0.00 H new ATOM 0 HB THR A 75 5.622 -13.672 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.342 -15.460 -5.638 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.993 -14.715 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.513 -14.140 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.118 -15.875 -6.297 1.00 0.00 H new ATOM 1105 N ALA A 76 7.518 -13.139 -2.039 1.00 0.00 N ATOM 1106 CA ALA A 76 7.976 -11.850 -1.512 1.00 0.00 C ATOM 1107 C ALA A 76 9.507 -11.618 -1.548 1.00 0.00 C ATOM 1108 O ALA A 76 9.976 -10.626 -0.999 1.00 0.00 O ATOM 1109 CB ALA A 76 7.433 -11.744 -0.083 1.00 0.00 C ATOM 0 H ALA A 76 7.130 -13.738 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 76 7.594 -11.066 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.747 -10.797 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.344 -11.791 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.821 -12.568 0.516 1.00 0.00 H new ATOM 1115 N ASN A 77 10.276 -12.508 -2.193 1.00 0.00 N ATOM 1116 CA ASN A 77 11.729 -12.767 -2.114 1.00 0.00 C ATOM 1117 C ASN A 77 12.657 -11.612 -2.585 1.00 0.00 C ATOM 1118 O ASN A 77 13.811 -11.843 -2.941 1.00 0.00 O ATOM 1119 CB ASN A 77 12.034 -14.079 -2.879 1.00 0.00 C ATOM 1120 CG ASN A 77 10.907 -15.099 -2.798 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.147 -15.260 -3.736 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.681 -15.718 -1.661 1.00 0.00 N ATOM 0 H ASN A 77 9.845 -13.142 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 77 11.965 -12.856 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.228 -13.844 -3.926 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.945 -14.522 -2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.871 -16.331 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.315 -15.586 -0.873 1.00 0.00 H new ATOM 1129 N ALA A 78 12.149 -10.379 -2.652 1.00 0.00 N ATOM 1130 CA ALA A 78 12.780 -9.216 -3.264 1.00 0.00 C ATOM 1131 C ALA A 78 13.715 -8.427 -2.322 1.00 0.00 C ATOM 1132 O ALA A 78 13.783 -8.658 -1.113 1.00 0.00 O ATOM 1133 CB ALA A 78 11.649 -8.319 -3.792 1.00 0.00 C ATOM 0 H ALA A 78 11.235 -10.157 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 78 13.436 -9.562 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.076 -7.432 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.061 -8.869 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.007 -8.018 -2.964 1.00 0.00 H new ATOM 1139 N LYS A 79 14.395 -7.438 -2.917 1.00 0.00 N ATOM 1140 CA LYS A 79 15.152 -6.337 -2.307 1.00 0.00 C ATOM 1141 C LYS A 79 14.310 -5.064 -2.474 1.00 0.00 C ATOM 1142 O LYS A 79 14.219 -4.556 -3.592 1.00 0.00 O ATOM 1143 CB LYS A 79 16.497 -6.244 -3.051 1.00 0.00 C ATOM 1144 CG LYS A 79 17.435 -5.132 -2.548 1.00 0.00 C ATOM 1145 CD LYS A 79 18.151 -4.416 -3.707 1.00 0.00 C ATOM 1146 CE LYS A 79 17.243 -3.393 -4.409 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.218 -2.103 -3.684 1.00 0.00 N ATOM 0 H LYS A 79 14.432 -7.384 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 79 15.353 -6.484 -1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 79 17.011 -7.201 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.300 -6.083 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.861 -4.406 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.176 -5.560 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.038 -3.910 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.492 -5.155 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.594 -3.232 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.231 -3.791 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.244 -1.889 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.828 -2.165 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.565 -1.347 -4.308 1.00 0.00 H new ATOM 1161 N VAL A 80 13.617 -4.616 -1.419 1.00 0.00 N ATOM 1162 CA VAL A 80 12.432 -3.752 -1.549 1.00 0.00 C ATOM 1163 C VAL A 80 12.386 -2.578 -0.556 1.00 0.00 C ATOM 1164 O VAL A 80 12.253 -2.738 0.659 1.00 0.00 O ATOM 1165 CB VAL A 80 11.141 -4.601 -1.560 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.963 -5.518 -0.342 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.897 -3.720 -1.738 1.00 0.00 C ATOM 0 H VAL A 80 13.859 -4.840 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 80 12.513 -3.255 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 80 11.255 -5.261 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.030 -6.074 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.798 -6.217 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.935 -4.916 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.005 -4.346 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.836 -3.006 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.965 -3.181 -2.683 1.00 0.00 H new ATOM 1177 N LEU A 81 12.477 -1.377 -1.131 1.00 0.00 N ATOM 1178 CA LEU A 81 12.198 -0.071 -0.542 1.00 0.00 C ATOM 1179 C LEU A 81 10.695 0.067 -0.216 1.00 0.00 C ATOM 1180 O LEU A 81 9.836 -0.188 -1.060 1.00 0.00 O ATOM 1181 CB LEU A 81 12.707 0.962 -1.570 1.00 0.00 C ATOM 1182 CG LEU A 81 12.818 2.443 -1.165 1.00 0.00 C ATOM 1183 CD1 LEU A 81 11.467 3.118 -0.932 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.736 2.656 0.041 1.00 0.00 C ATOM 0 H LEU A 81 12.773 -1.289 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 81 12.701 0.081 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.695 0.638 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.051 0.909 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 81 13.272 2.929 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.624 4.159 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.876 3.075 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.935 2.602 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.778 3.718 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.347 2.104 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.738 2.298 -0.197 1.00 0.00 H new ATOM 1196 N ILE A 82 10.391 0.469 1.020 1.00 0.00 N ATOM 1197 CA ILE A 82 9.072 0.585 1.657 1.00 0.00 C ATOM 1198 C ILE A 82 8.931 1.996 2.253 1.00 0.00 C ATOM 1199 O ILE A 82 9.913 2.561 2.729 1.00 0.00 O ATOM 1200 CB ILE A 82 8.997 -0.502 2.765 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.892 -1.923 2.162 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.851 -0.299 3.776 1.00 0.00 C ATOM 1203 CD1 ILE A 82 9.649 -2.965 2.996 1.00 0.00 C ATOM 0 H ILE A 82 11.131 0.749 1.664 1.00 0.00 H new ATOM 0 HA ILE A 82 8.261 0.436 0.944 1.00 0.00 H new ATOM 0 HB ILE A 82 9.933 -0.395 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.843 -2.209 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.289 -1.915 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.871 -1.101 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.975 0.660 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.896 -0.313 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.546 -3.946 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.704 -2.696 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.235 -2.994 4.004 1.00 0.00 H new ATOM 1215 N GLU A 83 7.712 2.544 2.294 1.00 0.00 N ATOM 1216 CA GLU A 83 7.347 3.727 3.077 1.00 0.00 C ATOM 1217 C GLU A 83 6.544 3.368 4.337 1.00 0.00 C ATOM 1218 O GLU A 83 5.565 2.612 4.281 1.00 0.00 O ATOM 1219 CB GLU A 83 6.524 4.730 2.255 1.00 0.00 C ATOM 1220 CG GLU A 83 7.350 5.553 1.270 1.00 0.00 C ATOM 1221 CD GLU A 83 6.523 6.734 0.752 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.552 7.794 1.425 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.851 6.560 -0.286 1.00 0.00 O ATOM 0 H GLU A 83 6.927 2.163 1.765 1.00 0.00 H new ATOM 0 HA GLU A 83 8.294 4.181 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.755 4.188 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.010 5.407 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.255 5.917 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.667 4.927 0.436 1.00 0.00 H new ATOM 1230 N LEU A 84 6.907 4.024 5.447 1.00 0.00 N ATOM 1231 CA LEU A 84 6.133 4.139 6.690 1.00 0.00 C ATOM 1232 C LEU A 84 5.864 5.622 7.011 1.00 0.00 C ATOM 1233 O LEU A 84 6.551 6.512 6.510 1.00 0.00 O ATOM 1234 CB LEU A 84 6.894 3.443 7.845 1.00 0.00 C ATOM 1235 CG LEU A 84 6.309 2.082 8.266 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.463 0.997 7.196 1.00 0.00 C ATOM 1237 CD2 LEU A 84 6.995 1.585 9.534 1.00 0.00 C ATOM 0 H LEU A 84 7.799 4.516 5.505 1.00 0.00 H new ATOM 0 HA LEU A 84 5.170 3.643 6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.932 3.301 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.900 4.105 8.711 1.00 0.00 H new ATOM 0 HG LEU A 84 5.245 2.254 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.030 0.065 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.948 1.307 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.521 0.846 6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.573 0.622 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.063 1.473 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.839 2.305 10.338 1.00 0.00 H new ATOM 1249 N GLU A 85 4.896 5.896 7.890 1.00 0.00 N ATOM 1250 CA GLU A 85 4.515 7.243 8.333 1.00 0.00 C ATOM 1251 C GLU A 85 4.683 7.340 9.854 1.00 0.00 C ATOM 1252 O GLU A 85 3.912 6.722 10.599 1.00 0.00 O ATOM 1253 CB GLU A 85 3.060 7.530 7.947 1.00 0.00 C ATOM 1254 CG GLU A 85 2.567 8.951 8.257 1.00 0.00 C ATOM 1255 CD GLU A 85 1.039 8.956 8.407 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.330 8.668 7.413 1.00 0.00 O ATOM 1257 OE2 GLU A 85 0.560 9.147 9.544 1.00 0.00 O ATOM 0 H GLU A 85 4.337 5.164 8.328 1.00 0.00 H new ATOM 0 HA GLU A 85 5.156 7.980 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.942 7.347 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.417 6.819 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.032 9.314 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.864 9.630 7.458 1.00 0.00 H new ATOM 1264 N PRO A 86 5.705 8.060 10.340 1.00 0.00 N ATOM 1265 CA PRO A 86 5.812 8.497 11.722 1.00 0.00 C ATOM 1266 C PRO A 86 5.550 10.018 11.840 1.00 0.00 C ATOM 1267 O PRO A 86 6.022 10.787 10.993 1.00 0.00 O ATOM 1268 CB PRO A 86 7.247 8.143 12.089 1.00 0.00 C ATOM 1269 CG PRO A 86 8.019 8.438 10.798 1.00 0.00 C ATOM 1270 CD PRO A 86 6.998 8.156 9.687 1.00 0.00 C ATOM 0 HA PRO A 86 5.083 8.028 12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.610 8.745 12.922 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.341 7.098 12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.368 9.470 10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.899 7.801 10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.001 8.954 8.944 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.239 7.231 9.163 1.00 0.00 H new ATOM 1278 N PRO A 87 4.839 10.478 12.891 1.00 0.00 N ATOM 1279 CA PRO A 87 4.693 11.900 13.219 1.00 0.00 C ATOM 1280 C PRO A 87 6.018 12.678 13.306 1.00 0.00 C ATOM 1281 O PRO A 87 7.095 12.102 13.451 1.00 0.00 O ATOM 1282 CB PRO A 87 3.960 11.929 14.564 1.00 0.00 C ATOM 1283 CG PRO A 87 3.130 10.650 14.534 1.00 0.00 C ATOM 1284 CD PRO A 87 4.045 9.669 13.806 1.00 0.00 C ATOM 0 HA PRO A 87 4.150 12.402 12.418 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.656 11.938 15.402 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.332 12.815 14.662 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.884 10.304 15.538 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.187 10.792 14.006 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.683 9.133 14.509 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.466 8.920 13.265 1.00 0.00 H new ATOM 1292 N PHE A 88 5.930 14.012 13.232 1.00 0.00 N ATOM 1293 CA PHE A 88 7.075 14.919 13.368 1.00 0.00 C ATOM 1294 C PHE A 88 7.672 14.942 14.787 1.00 0.00 C ATOM 1295 O PHE A 88 7.066 14.470 15.749 1.00 0.00 O ATOM 1296 CB PHE A 88 6.671 16.325 12.893 1.00 0.00 C ATOM 1297 CG PHE A 88 7.001 16.564 11.432 1.00 0.00 C ATOM 1298 CD1 PHE A 88 6.116 16.142 10.421 1.00 0.00 C ATOM 1299 CD2 PHE A 88 8.214 17.188 11.083 1.00 0.00 C ATOM 1300 CE1 PHE A 88 6.441 16.350 9.068 1.00 0.00 C ATOM 1301 CE2 PHE A 88 8.538 17.396 9.732 1.00 0.00 C ATOM 1302 CZ PHE A 88 7.651 16.977 8.724 1.00 0.00 C ATOM 0 H PHE A 88 5.047 14.498 13.074 1.00 0.00 H new ATOM 0 HA PHE A 88 7.875 14.539 12.733 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.601 16.463 13.047 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.180 17.071 13.503 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.187 15.658 10.685 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.897 17.508 11.856 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.761 16.028 8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.468 17.877 9.467 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.900 17.137 7.685 1.00 0.00 H new ATOM 1312 N GLY A 89 8.877 15.514 14.907 1.00 0.00 N ATOM 1313 CA GLY A 89 9.668 15.517 16.133 1.00 0.00 C ATOM 1314 C GLY A 89 10.574 14.292 16.179 1.00 0.00 C ATOM 1315 O GLY A 89 11.678 14.319 15.641 1.00 0.00 O ATOM 0 H GLY A 89 9.335 15.997 14.134 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.269 16.425 16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.008 15.523 17.000 1.00 0.00 H new ATOM 1319 N ASP A 90 10.096 13.200 16.773 1.00 0.00 N ATOM 1320 CA ASP A 90 10.835 11.943 16.905 1.00 0.00 C ATOM 1321 C ASP A 90 10.098 10.794 16.205 1.00 0.00 C ATOM 1322 O ASP A 90 8.911 10.878 15.884 1.00 0.00 O ATOM 1323 CB ASP A 90 11.084 11.642 18.391 1.00 0.00 C ATOM 1324 CG ASP A 90 12.432 12.179 18.873 1.00 0.00 C ATOM 1325 OD1 ASP A 90 12.568 13.409 19.053 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.374 11.364 19.056 1.00 0.00 O ATOM 0 H ASP A 90 9.164 13.162 17.185 1.00 0.00 H new ATOM 0 HA ASP A 90 11.801 12.044 16.411 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.285 12.083 18.988 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.045 10.565 18.553 1.00 0.00 H new ATOM 1331 N SER A 91 10.818 9.718 15.884 1.00 0.00 N ATOM 1332 CA SER A 91 10.284 8.614 15.091 1.00 0.00 C ATOM 1333 C SER A 91 11.090 7.343 15.348 1.00 0.00 C ATOM 1334 O SER A 91 12.314 7.356 15.269 1.00 0.00 O ATOM 1335 CB SER A 91 10.365 8.987 13.607 1.00 0.00 C ATOM 1336 OG SER A 91 9.631 10.168 13.328 1.00 0.00 O ATOM 0 H SER A 91 11.789 9.589 16.168 1.00 0.00 H new ATOM 0 HA SER A 91 9.247 8.431 15.373 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.408 9.129 13.323 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.979 8.166 13.003 1.00 0.00 H new ATOM 0 HG SER A 91 10.245 10.930 13.277 1.00 0.00 H new ATOM 1342 N TYR A 92 10.419 6.234 15.649 1.00 0.00 N ATOM 1343 CA TYR A 92 11.061 4.956 15.939 1.00 0.00 C ATOM 1344 C TYR A 92 10.318 3.840 15.204 1.00 0.00 C ATOM 1345 O TYR A 92 9.103 3.675 15.347 1.00 0.00 O ATOM 1346 CB TYR A 92 11.153 4.739 17.454 1.00 0.00 C ATOM 1347 CG TYR A 92 11.907 5.840 18.184 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.310 5.796 18.290 1.00 0.00 C ATOM 1349 CD2 TYR A 92 11.204 6.948 18.697 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.009 6.878 18.864 1.00 0.00 C ATOM 1351 CE2 TYR A 92 11.896 8.019 19.291 1.00 0.00 C ATOM 1352 CZ TYR A 92 13.307 8.009 19.337 1.00 0.00 C ATOM 1353 OH TYR A 92 14.000 9.076 19.824 1.00 0.00 O ATOM 0 H TYR A 92 9.401 6.198 15.699 1.00 0.00 H new ATOM 0 HA TYR A 92 12.088 4.951 15.573 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.146 4.667 17.864 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.644 3.785 17.646 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.851 4.933 17.932 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.126 6.975 18.634 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.086 6.842 18.942 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.348 8.849 19.712 1.00 0.00 H new ATOM 0 HH TYR A 92 13.402 9.848 19.898 1.00 0.00 H new ATOM 1363 N ILE A 93 11.073 3.116 14.374 1.00 0.00 N ATOM 1364 CA ILE A 93 10.600 2.093 13.449 1.00 0.00 C ATOM 1365 C ILE A 93 11.069 0.739 13.974 1.00 0.00 C ATOM 1366 O ILE A 93 12.271 0.478 14.031 1.00 0.00 O ATOM 1367 CB ILE A 93 11.121 2.369 12.019 1.00 0.00 C ATOM 1368 CG1 ILE A 93 10.819 3.799 11.509 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.574 1.309 11.045 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.338 4.203 11.490 1.00 0.00 C ATOM 0 H ILE A 93 12.085 3.237 14.330 1.00 0.00 H new ATOM 0 HA ILE A 93 9.512 2.101 13.388 1.00 0.00 H new ATOM 0 HB ILE A 93 12.208 2.299 12.065 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.362 4.509 12.133 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.215 3.895 10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.946 1.511 10.041 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.904 0.319 11.362 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.485 1.345 11.042 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.244 5.222 11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.784 3.525 10.840 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.933 4.149 12.501 1.00 0.00 H new ATOM 1382 N VAL A 94 10.124 -0.109 14.387 1.00 0.00 N ATOM 1383 CA VAL A 94 10.405 -1.422 14.982 1.00 0.00 C ATOM 1384 C VAL A 94 10.008 -2.519 13.993 1.00 0.00 C ATOM 1385 O VAL A 94 8.999 -2.393 13.300 1.00 0.00 O ATOM 1386 CB VAL A 94 9.693 -1.575 16.342 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.073 -2.890 17.040 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.054 -0.420 17.291 1.00 0.00 C ATOM 0 H VAL A 94 9.128 0.098 14.317 1.00 0.00 H new ATOM 0 HA VAL A 94 11.473 -1.513 15.181 1.00 0.00 H new ATOM 0 HB VAL A 94 8.624 -1.569 16.127 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.551 -2.960 17.994 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.789 -3.732 16.409 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.149 -2.912 17.213 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.537 -0.555 18.241 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.131 -0.412 17.461 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.750 0.527 16.844 1.00 0.00 H new ATOM 1398 N VAL A 95 10.825 -3.574 13.919 1.00 0.00 N ATOM 1399 CA VAL A 95 10.759 -4.687 12.965 1.00 0.00 C ATOM 1400 C VAL A 95 10.903 -5.993 13.751 1.00 0.00 C ATOM 1401 O VAL A 95 12.019 -6.342 14.124 1.00 0.00 O ATOM 1402 CB VAL A 95 11.891 -4.555 11.914 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.974 -5.767 10.972 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.717 -3.315 11.029 1.00 0.00 C ATOM 0 H VAL A 95 11.604 -3.681 14.569 1.00 0.00 H new ATOM 0 HA VAL A 95 9.807 -4.677 12.433 1.00 0.00 H new ATOM 0 HB VAL A 95 12.803 -4.480 12.506 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.784 -5.618 10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.165 -6.668 11.555 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.032 -5.875 10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.533 -3.265 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.767 -3.378 10.498 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.726 -2.420 11.651 1.00 0.00 H new ATOM 1414 N GLY A 96 9.818 -6.728 14.018 1.00 0.00 N ATOM 1415 CA GLY A 96 9.943 -8.055 14.628 1.00 0.00 C ATOM 1416 C GLY A 96 8.813 -8.535 15.533 1.00 0.00 C ATOM 1417 O GLY A 96 7.914 -7.792 15.915 1.00 0.00 O ATOM 0 H GLY A 96 8.861 -6.433 13.826 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.060 -8.782 13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.865 -8.070 15.208 1.00 0.00 H new ATOM 1421 N ARG A 97 8.913 -9.815 15.906 1.00 0.00 N ATOM 1422 CA ARG A 97 7.932 -10.575 16.683 1.00 0.00 C ATOM 1423 C ARG A 97 8.635 -11.407 17.762 1.00 0.00 C ATOM 1424 O ARG A 97 9.569 -12.141 17.459 1.00 0.00 O ATOM 1425 CB ARG A 97 7.075 -11.450 15.743 1.00 0.00 C ATOM 1426 CG ARG A 97 7.879 -12.377 14.797 1.00 0.00 C ATOM 1427 CD ARG A 97 7.315 -13.796 14.673 1.00 0.00 C ATOM 1428 NE ARG A 97 7.336 -14.510 15.956 1.00 0.00 N ATOM 1429 CZ ARG A 97 6.321 -14.800 16.754 1.00 0.00 C ATOM 1430 NH1 ARG A 97 5.065 -14.554 16.438 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.567 -15.344 17.921 1.00 0.00 N ATOM 0 H ARG A 97 9.727 -10.379 15.659 1.00 0.00 H new ATOM 0 HA ARG A 97 7.261 -9.884 17.193 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.409 -12.064 16.350 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.445 -10.798 15.139 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.912 -11.924 13.806 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.907 -12.437 15.154 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.291 -13.748 14.301 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.895 -14.354 13.938 1.00 0.00 H new ATOM 0 HE ARG A 97 8.253 -14.824 16.274 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.840 -14.121 15.542 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.318 -14.797 17.089 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.529 -15.537 18.201 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.797 -15.574 18.549 1.00 0.00 H new ATOM 1445 N GLY A 98 8.171 -11.288 19.012 1.00 0.00 N ATOM 1446 CA GLY A 98 8.653 -12.000 20.203 1.00 0.00 C ATOM 1447 C GLY A 98 10.164 -12.261 20.243 1.00 0.00 C ATOM 1448 O GLY A 98 10.941 -11.390 20.621 1.00 0.00 O ATOM 0 H GLY A 98 7.403 -10.654 19.233 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.377 -11.425 21.087 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.134 -12.956 20.270 1.00 0.00 H new ATOM 1452 N GLU A 99 10.564 -13.475 19.859 1.00 0.00 N ATOM 1453 CA GLU A 99 11.936 -13.986 19.834 1.00 0.00 C ATOM 1454 C GLU A 99 12.886 -13.321 18.819 1.00 0.00 C ATOM 1455 O GLU A 99 14.097 -13.488 18.942 1.00 0.00 O ATOM 1456 CB GLU A 99 11.886 -15.510 19.601 1.00 0.00 C ATOM 1457 CG GLU A 99 11.453 -15.982 18.194 1.00 0.00 C ATOM 1458 CD GLU A 99 10.004 -15.664 17.790 1.00 0.00 C ATOM 1459 OE1 GLU A 99 9.125 -15.465 18.663 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.733 -15.600 16.571 1.00 0.00 O ATOM 0 H GLU A 99 9.894 -14.173 19.536 1.00 0.00 H new ATOM 0 HA GLU A 99 12.367 -13.732 20.802 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.875 -15.919 19.808 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.203 -15.944 20.331 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.121 -15.531 17.460 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.597 -17.061 18.135 1.00 0.00 H new ATOM 1467 N GLN A 100 12.371 -12.590 17.822 1.00 0.00 N ATOM 1468 CA GLN A 100 13.156 -12.033 16.715 1.00 0.00 C ATOM 1469 C GLN A 100 12.746 -10.582 16.422 1.00 0.00 C ATOM 1470 O GLN A 100 11.677 -10.341 15.856 1.00 0.00 O ATOM 1471 CB GLN A 100 13.079 -12.969 15.484 1.00 0.00 C ATOM 1472 CG GLN A 100 11.669 -13.222 14.916 1.00 0.00 C ATOM 1473 CD GLN A 100 11.635 -14.358 13.899 1.00 0.00 C ATOM 1474 OE1 GLN A 100 12.156 -14.259 12.799 1.00 0.00 O ATOM 1475 NE2 GLN A 100 10.984 -15.463 14.204 1.00 0.00 N ATOM 0 H GLN A 100 11.378 -12.365 17.762 1.00 0.00 H new ATOM 0 HA GLN A 100 14.207 -11.984 17.000 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.698 -12.547 14.692 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.518 -13.929 15.754 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.989 -13.454 15.735 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.303 -12.309 14.446 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.544 -15.560 15.119 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.920 -16.221 13.525 1.00 0.00 H new ATOM 1484 N GLN A 101 13.582 -9.603 16.809 1.00 0.00 N ATOM 1485 CA GLN A 101 13.361 -8.196 16.455 1.00 0.00 C ATOM 1486 C GLN A 101 14.629 -7.397 16.133 1.00 0.00 C ATOM 1487 O GLN A 101 15.746 -7.778 16.479 1.00 0.00 O ATOM 1488 CB GLN A 101 12.502 -7.483 17.524 1.00 0.00 C ATOM 1489 CG GLN A 101 13.250 -7.098 18.819 1.00 0.00 C ATOM 1490 CD GLN A 101 13.213 -5.591 19.094 1.00 0.00 C ATOM 1491 OE1 GLN A 101 13.858 -4.779 18.439 1.00 0.00 O ATOM 1492 NE2 GLN A 101 12.460 -5.159 20.088 1.00 0.00 N ATOM 0 H GLN A 101 14.419 -9.765 17.369 1.00 0.00 H new ATOM 0 HA GLN A 101 12.812 -8.227 15.514 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.080 -6.579 17.085 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.665 -8.130 17.786 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.807 -7.629 19.662 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.287 -7.425 18.746 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.918 -5.822 20.642 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.420 -4.162 20.302 1.00 0.00 H new ATOM 1501 N ILE A 102 14.395 -6.259 15.481 1.00 0.00 N ATOM 1502 CA ILE A 102 15.309 -5.186 15.104 1.00 0.00 C ATOM 1503 C ILE A 102 14.530 -3.863 15.209 1.00 0.00 C ATOM 1504 O ILE A 102 13.296 -3.850 15.221 1.00 0.00 O ATOM 1505 CB ILE A 102 15.861 -5.361 13.656 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.580 -6.733 12.988 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.370 -5.060 13.682 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.969 -6.808 11.506 1.00 0.00 C ATOM 0 H ILE A 102 13.448 -6.044 15.169 1.00 0.00 H new ATOM 0 HA ILE A 102 16.171 -5.199 15.771 1.00 0.00 H new ATOM 0 HB ILE A 102 15.317 -4.657 13.027 1.00 0.00 H new ATOM 0 HG12 ILE A 102 16.122 -7.506 13.533 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.518 -6.960 13.084 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.781 -5.176 12.679 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.531 -4.038 14.025 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.868 -5.753 14.360 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.739 -7.801 11.119 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.408 -6.061 10.944 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.037 -6.616 11.400 1.00 0.00 H new ATOM 1520 N ASN A 103 15.229 -2.727 15.232 1.00 0.00 N ATOM 1521 CA ASN A 103 14.602 -1.407 15.185 1.00 0.00 C ATOM 1522 C ASN A 103 15.583 -0.350 14.653 1.00 0.00 C ATOM 1523 O ASN A 103 16.791 -0.579 14.617 1.00 0.00 O ATOM 1524 CB ASN A 103 14.038 -1.059 16.581 1.00 0.00 C ATOM 1525 CG ASN A 103 15.058 -1.159 17.704 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.781 -0.217 17.984 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.141 -2.280 18.397 1.00 0.00 N ATOM 0 H ASN A 103 16.247 -2.697 15.284 1.00 0.00 H new ATOM 0 HA ASN A 103 13.767 -1.419 14.484 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.638 -0.045 16.557 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.204 -1.726 16.801 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.808 -2.357 19.164 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.538 -3.069 18.165 1.00 0.00 H new ATOM 1534 N HIS A 104 15.051 0.805 14.239 1.00 0.00 N ATOM 1535 CA HIS A 104 15.816 1.980 13.827 1.00 0.00 C ATOM 1536 C HIS A 104 15.113 3.259 14.303 1.00 0.00 C ATOM 1537 O HIS A 104 13.886 3.323 14.388 1.00 0.00 O ATOM 1538 CB HIS A 104 15.994 1.976 12.298 1.00 0.00 C ATOM 1539 CG HIS A 104 17.178 2.781 11.806 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.348 4.153 11.853 1.00 0.00 N ATOM 1541 CD2 HIS A 104 18.283 2.256 11.189 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.531 4.435 11.279 1.00 0.00 C ATOM 1543 NE2 HIS A 104 19.129 3.315 10.851 1.00 0.00 N ATOM 0 H HIS A 104 14.043 0.949 14.181 1.00 0.00 H new ATOM 0 HA HIS A 104 16.805 1.950 14.285 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.104 0.946 11.960 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.087 2.367 11.837 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.695 4.828 12.251 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.467 1.209 10.998 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.943 5.428 11.177 1.00 0.00 H new ATOM 1551 N HIS A 105 15.902 4.297 14.582 1.00 0.00 N ATOM 1552 CA HIS A 105 15.432 5.609 15.024 1.00 0.00 C ATOM 1553 C HIS A 105 15.467 6.637 13.883 1.00 0.00 C ATOM 1554 O HIS A 105 16.177 6.454 12.891 1.00 0.00 O ATOM 1555 CB HIS A 105 16.292 6.056 16.219 1.00 0.00 C ATOM 1556 CG HIS A 105 17.754 6.270 15.901 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.378 7.491 15.786 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.706 5.303 15.709 1.00 0.00 C ATOM 1559 CE1 HIS A 105 19.674 7.263 15.508 1.00 0.00 C ATOM 1560 NE2 HIS A 105 19.917 5.946 15.446 1.00 0.00 N ATOM 0 H HIS A 105 16.918 4.246 14.504 1.00 0.00 H new ATOM 0 HA HIS A 105 14.389 5.537 15.334 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.881 6.984 16.618 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.212 5.307 17.007 1.00 0.00 H new ATOM 0 HD1 HIS A 105 17.937 8.405 15.892 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.548 4.236 15.753 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.415 8.033 15.356 1.00 0.00 H new ATOM 1568 N TRP A 106 14.714 7.727 14.047 1.00 0.00 N ATOM 1569 CA TRP A 106 14.778 8.964 13.274 1.00 0.00 C ATOM 1570 C TRP A 106 14.303 10.147 14.126 1.00 0.00 C ATOM 1571 O TRP A 106 13.554 9.990 15.091 1.00 0.00 O ATOM 1572 CB TRP A 106 13.934 8.860 11.991 1.00 0.00 C ATOM 1573 CG TRP A 106 14.705 9.137 10.743 1.00 0.00 C ATOM 1574 CD1 TRP A 106 15.546 8.257 10.164 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.764 10.348 9.923 1.00 0.00 C ATOM 1576 NE1 TRP A 106 16.102 8.819 9.038 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.688 10.120 8.859 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.145 11.617 9.964 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.997 11.095 7.899 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.441 12.602 8.999 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.363 12.347 7.970 1.00 0.00 C ATOM 0 H TRP A 106 13.997 7.769 14.771 1.00 0.00 H new ATOM 0 HA TRP A 106 15.816 9.129 12.985 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.505 7.860 11.929 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.101 9.560 12.056 1.00 0.00 H new ATOM 0 HD1 TRP A 106 15.752 7.262 10.529 1.00 0.00 H new ATOM 0 HE1 TRP A 106 16.743 8.331 8.412 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.434 11.836 10.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.712 10.886 7.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 13.953 13.564 9.052 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.583 13.109 7.237 1.00 0.00 H new ATOM 1592 N HIS A 107 14.712 11.351 13.727 1.00 0.00 N ATOM 1593 CA HIS A 107 14.347 12.608 14.377 1.00 0.00 C ATOM 1594 C HIS A 107 14.215 13.664 13.277 1.00 0.00 C ATOM 1595 O HIS A 107 14.961 13.623 12.291 1.00 0.00 O ATOM 1596 CB HIS A 107 15.396 13.000 15.440 1.00 0.00 C ATOM 1597 CG HIS A 107 16.003 11.825 16.175 1.00 0.00 C ATOM 1598 ND1 HIS A 107 15.468 11.152 17.253 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.104 11.123 15.759 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.230 10.068 17.473 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.231 10.000 16.578 1.00 0.00 N ATOM 0 H HIS A 107 15.323 11.482 12.921 1.00 0.00 H new ATOM 0 HA HIS A 107 13.401 12.514 14.910 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.194 13.563 14.956 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.930 13.667 16.166 1.00 0.00 H new ATOM 0 HD1 HIS A 107 14.643 11.427 17.786 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.758 11.391 14.942 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.062 9.349 18.261 1.00 0.00 H new ATOM 1609 N LYS A 108 13.245 14.569 13.398 1.00 0.00 N ATOM 1610 CA LYS A 108 12.897 15.549 12.371 1.00 0.00 C ATOM 1611 C LYS A 108 12.340 16.839 12.965 1.00 0.00 C ATOM 1612 O LYS A 108 11.172 16.885 13.368 1.00 0.00 O ATOM 1613 CB LYS A 108 11.961 14.941 11.307 1.00 0.00 C ATOM 1614 CG LYS A 108 10.856 13.991 11.805 1.00 0.00 C ATOM 1615 CD LYS A 108 9.956 13.619 10.620 1.00 0.00 C ATOM 1616 CE LYS A 108 9.011 12.460 10.943 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.120 12.181 9.794 1.00 0.00 N ATOM 0 H LYS A 108 12.665 14.643 14.234 1.00 0.00 H new ATOM 0 HA LYS A 108 13.822 15.825 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.485 15.760 10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.574 14.399 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.297 13.094 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.270 14.471 12.589 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.370 14.490 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.578 13.349 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.589 11.569 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.415 12.704 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.368 11.526 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.695 13.070 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.671 11.751 9.024 1.00 0.00 H new ATOM 1631 N SER A 109 13.188 17.879 12.948 1.00 0.00 N ATOM 1632 CA SER A 109 12.956 19.345 13.031 1.00 0.00 C ATOM 1633 C SER A 109 13.785 20.064 14.105 1.00 0.00 C ATOM 1634 O SER A 109 13.750 21.291 14.163 1.00 0.00 O ATOM 1635 CB SER A 109 11.477 19.765 13.148 1.00 0.00 C ATOM 1636 OG SER A 109 10.874 19.208 14.293 1.00 0.00 O ATOM 0 H SER A 109 14.188 17.695 12.865 1.00 0.00 H new ATOM 0 HA SER A 109 13.313 19.678 12.056 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.408 20.852 13.191 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.935 19.446 12.258 1.00 0.00 H new ATOM 0 HG SER A 109 10.659 18.267 14.125 1.00 0.00 H new ATOM 1642 N GLY A 110 14.545 19.331 14.925 1.00 0.00 N ATOM 1643 CA GLY A 110 15.271 19.860 16.084 1.00 0.00 C ATOM 1644 C GLY A 110 14.865 19.165 17.386 1.00 0.00 C ATOM 1645 O GLY A 110 14.787 19.820 18.421 1.00 0.00 O ATOM 0 H GLY A 110 14.676 18.327 14.798 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.343 19.737 15.927 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.083 20.930 16.171 1.00 0.00 H new ATOM 1649 N SER A 111 14.542 17.866 17.318 1.00 0.00 N ATOM 1650 CA SER A 111 13.870 17.103 18.374 1.00 0.00 C ATOM 1651 C SER A 111 14.869 16.488 19.376 1.00 0.00 C ATOM 1652 O SER A 111 15.837 17.156 19.731 1.00 0.00 O ATOM 1653 CB SER A 111 12.942 16.101 17.694 1.00 0.00 C ATOM 1654 OG SER A 111 11.964 15.644 18.601 1.00 0.00 O ATOM 0 H SER A 111 14.750 17.299 16.496 1.00 0.00 H new ATOM 0 HA SER A 111 13.264 17.755 19.003 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.461 16.567 16.834 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.520 15.257 17.317 1.00 0.00 H new ATOM 0 HG SER A 111 12.020 14.669 18.679 1.00 0.00 H new ATOM 1660 N SER A 112 14.671 15.255 19.874 1.00 0.00 N ATOM 1661 CA SER A 112 15.443 14.676 20.991 1.00 0.00 C ATOM 1662 C SER A 112 16.972 14.724 20.823 1.00 0.00 C ATOM 1663 O SER A 112 17.689 14.962 21.791 1.00 0.00 O ATOM 1664 CB SER A 112 14.994 13.231 21.237 1.00 0.00 C ATOM 1665 OG SER A 112 15.320 12.416 20.129 1.00 0.00 O ATOM 0 H SER A 112 13.960 14.622 19.507 1.00 0.00 H new ATOM 0 HA SER A 112 15.226 15.309 21.851 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.474 12.843 22.135 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.919 13.203 21.413 1.00 0.00 H new ATOM 0 HG SER A 112 14.654 11.702 20.041 1.00 0.00 H new ATOM 1671 N ILE A 113 17.464 14.541 19.592 1.00 0.00 N ATOM 1672 CA ILE A 113 18.884 14.602 19.201 1.00 0.00 C ATOM 1673 C ILE A 113 19.304 16.010 18.709 1.00 0.00 C ATOM 1674 O ILE A 113 20.473 16.240 18.408 1.00 0.00 O ATOM 1675 CB ILE A 113 19.140 13.469 18.165 1.00 0.00 C ATOM 1676 CG1 ILE A 113 18.906 12.063 18.773 1.00 0.00 C ATOM 1677 CG2 ILE A 113 20.524 13.486 17.489 1.00 0.00 C ATOM 1678 CD1 ILE A 113 19.770 11.699 19.989 1.00 0.00 C ATOM 0 H ILE A 113 16.855 14.336 18.800 1.00 0.00 H new ATOM 0 HA ILE A 113 19.522 14.434 20.069 1.00 0.00 H new ATOM 0 HB ILE A 113 18.407 13.681 17.387 1.00 0.00 H new ATOM 0 HG12 ILE A 113 17.858 11.984 19.061 1.00 0.00 H new ATOM 0 HG13 ILE A 113 19.079 11.320 17.995 1.00 0.00 H new ATOM 0 HG21 ILE A 113 20.596 12.655 16.787 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.656 14.426 16.953 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.301 13.389 18.248 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.518 10.694 20.327 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.823 11.735 19.711 1.00 0.00 H new ATOM 0 HD13 ILE A 113 19.583 12.410 20.794 1.00 0.00 H new ATOM 1690 N GLY A 114 18.379 16.976 18.632 1.00 0.00 N ATOM 1691 CA GLY A 114 18.601 18.272 17.981 1.00 0.00 C ATOM 1692 C GLY A 114 18.499 18.187 16.453 1.00 0.00 C ATOM 1693 O GLY A 114 19.153 18.953 15.748 1.00 0.00 O ATOM 0 H GLY A 114 17.443 16.877 19.026 1.00 0.00 H new ATOM 0 HA2 GLY A 114 17.870 18.991 18.351 1.00 0.00 H new ATOM 0 HA3 GLY A 114 19.586 18.649 18.256 1.00 0.00 H new ATOM 1697 N LYS A 115 17.695 17.241 15.949 1.00 0.00 N ATOM 1698 CA LYS A 115 17.593 16.818 14.546 1.00 0.00 C ATOM 1699 C LYS A 115 16.127 16.725 14.081 1.00 0.00 C ATOM 1700 O LYS A 115 15.233 16.607 14.949 1.00 0.00 O ATOM 1701 CB LYS A 115 18.416 15.513 14.420 1.00 0.00 C ATOM 1702 CG LYS A 115 18.264 14.728 13.110 1.00 0.00 C ATOM 1703 CD LYS A 115 18.675 15.518 11.855 1.00 0.00 C ATOM 1704 CE LYS A 115 17.899 15.082 10.604 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.447 15.320 10.769 1.00 0.00 N ATOM 0 H LYS A 115 17.058 16.717 16.549 1.00 0.00 H new ATOM 0 HA LYS A 115 18.013 17.555 13.861 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.470 15.761 14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.141 14.856 15.245 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.867 13.822 13.170 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.225 14.414 13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.509 16.581 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.743 15.386 11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.264 15.630 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.078 14.024 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.025 15.548 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.997 14.465 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.298 16.115 11.423 1.00 0.00 H new