USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 875 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 134 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot 77:sc= 0.581 USER MOD Set 2.2: A 112 ASN : amide:sc= -4.85! K(o=-4.3!,f=-0.83) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 70 TYR OH : rot -104:sc= 0.609 USER MOD Set 3.3: A 115 HIS : no HE2:sc= -5.13! C(o=-4.5!,f=-8.5!) USER MOD Set 4.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 44 THR OG1 : rot -149:sc= 0.954 USER MOD Set 5.2: A 61 GLN : amide:sc= -0.988 X(o=-0.034,f=-0.17) USER MOD Set 6.1: A 9 ASN : amide:sc= -0.0999 X(o=-0.11,f=-0.5) USER MOD Set 6.2: A 47 HIS : no HD1:sc=-0.00769 K(o=-0.11,f=-0.67) USER MOD Single : A 8 CYS SG : rot 180:sc= -1.82 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 159:sc= -0.316 (180deg=-1.23) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 25 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.18) USER MOD Single : A 28 SER OG : rot -24:sc= 0.754 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 86:sc= 0.824 USER MOD Single : A 40 THR OG1 : rot 69:sc= 0.407 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc=-0.00923 X(o=-0.0092,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0262 K(o=-0.026,f=-0.79) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -31:sc= -0.45 USER MOD Single : A 78 CYS SG : rot 61:sc= -1.47 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 CYS SG : rot 45:sc= -2.93! USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 131 ASN : amide:sc=-0.00106 X(o=-0.0011,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -5.538 -5.116 -15.521 1.00 0.00 N ATOM 55 CA GLY A 5 -7.016 -5.068 -15.580 1.00 0.00 C ATOM 56 C GLY A 5 -7.630 -4.009 -14.653 1.00 0.00 C ATOM 57 O GLY A 5 -8.541 -3.283 -15.041 1.00 0.00 O ATOM 0 HA2 GLY A 5 -7.325 -4.865 -16.606 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.415 -6.047 -15.315 1.00 0.00 H new ATOM 61 N ALA A 6 -7.072 -3.918 -13.450 1.00 0.00 N ATOM 62 CA ALA A 6 -7.442 -2.885 -12.460 1.00 0.00 C ATOM 63 C ALA A 6 -6.408 -1.752 -12.486 1.00 0.00 C ATOM 64 O ALA A 6 -5.313 -1.943 -12.998 1.00 0.00 O ATOM 65 CB ALA A 6 -7.499 -3.505 -11.063 1.00 0.00 C ATOM 0 H ALA A 6 -6.347 -4.556 -13.123 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.423 -2.481 -12.710 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.772 -2.740 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.243 -4.301 -11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.522 -3.916 -10.807 1.00 0.00 H new ATOM 71 N ALA A 7 -6.788 -0.583 -11.976 1.00 0.00 N ATOM 72 CA ALA A 7 -5.944 0.633 -11.928 1.00 0.00 C ATOM 73 C ALA A 7 -6.712 1.760 -11.234 1.00 0.00 C ATOM 74 O ALA A 7 -7.765 2.192 -11.700 1.00 0.00 O ATOM 75 CB ALA A 7 -5.510 1.127 -13.317 1.00 0.00 C ATOM 0 H ALA A 7 -7.713 -0.440 -11.571 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.043 0.363 -11.377 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.895 2.020 -13.210 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.934 0.348 -13.817 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.393 1.364 -13.911 1.00 0.00 H new ATOM 81 N CYS A 8 -6.308 2.012 -9.997 1.00 0.00 N ATOM 82 CA CYS A 8 -6.878 3.124 -9.213 1.00 0.00 C ATOM 83 C CYS A 8 -5.804 4.201 -8.958 1.00 0.00 C ATOM 84 O CYS A 8 -4.750 4.182 -9.588 1.00 0.00 O ATOM 85 CB CYS A 8 -7.506 2.562 -7.926 1.00 0.00 C ATOM 86 SG CYS A 8 -6.283 2.062 -6.661 1.00 0.00 S ATOM 0 H CYS A 8 -5.594 1.472 -9.508 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.674 3.620 -9.768 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.169 3.314 -7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.123 1.701 -8.181 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.904 1.604 -5.614 1.00 0.00 H new ATOM 92 N ASN A 9 -6.025 5.002 -7.925 1.00 0.00 N ATOM 93 CA ASN A 9 -5.177 6.121 -7.490 1.00 0.00 C ATOM 94 C ASN A 9 -5.017 6.139 -5.974 1.00 0.00 C ATOM 95 O ASN A 9 -5.979 6.115 -5.206 1.00 0.00 O ATOM 96 CB ASN A 9 -5.802 7.446 -7.911 1.00 0.00 C ATOM 97 CG ASN A 9 -5.290 7.862 -9.278 1.00 0.00 C ATOM 98 OD1 ASN A 9 -4.108 7.796 -9.564 1.00 0.00 O ATOM 99 ND2 ASN A 9 -6.171 8.410 -10.081 1.00 0.00 N ATOM 0 H ASN A 9 -6.845 4.888 -7.330 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.201 5.988 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.888 7.352 -7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.565 8.216 -7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.873 8.798 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.154 8.448 -9.810 1.00 0.00 H new ATOM 106 N VAL A 10 -3.764 6.032 -5.582 1.00 0.00 N ATOM 107 CA VAL A 10 -3.398 6.054 -4.159 1.00 0.00 C ATOM 108 C VAL A 10 -2.229 7.033 -3.990 1.00 0.00 C ATOM 109 O VAL A 10 -1.420 7.246 -4.890 1.00 0.00 O ATOM 110 CB VAL A 10 -3.124 4.650 -3.561 1.00 0.00 C ATOM 111 CG1 VAL A 10 -4.065 3.555 -4.078 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.669 4.196 -3.649 1.00 0.00 C ATOM 0 H VAL A 10 -2.974 5.929 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.250 6.403 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.345 4.793 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.807 2.604 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.095 3.813 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.963 3.468 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.570 3.204 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.362 4.160 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.035 4.899 -3.109 1.00 0.00 H new ATOM 122 N LEU A 11 -2.096 7.510 -2.773 1.00 0.00 N ATOM 123 CA LEU A 11 -0.995 8.392 -2.402 1.00 0.00 C ATOM 124 C LEU A 11 0.131 7.525 -1.833 1.00 0.00 C ATOM 125 O LEU A 11 0.016 6.926 -0.764 1.00 0.00 O ATOM 126 CB LEU A 11 -1.573 9.422 -1.424 1.00 0.00 C ATOM 127 CG LEU A 11 -0.714 10.641 -1.085 1.00 0.00 C ATOM 128 CD1 LEU A 11 0.455 10.196 -0.236 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.225 11.396 -2.322 1.00 0.00 C ATOM 0 H LEU A 11 -2.741 7.303 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.558 8.943 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.517 9.781 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.806 8.906 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.339 11.344 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.074 11.058 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.085 9.740 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.050 9.469 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.378 12.249 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.378 10.730 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.082 11.747 -2.896 1.00 0.00 H new ATOM 141 N PHE A 12 1.187 7.464 -2.622 1.00 0.00 N ATOM 142 CA PHE A 12 2.435 6.762 -2.300 1.00 0.00 C ATOM 143 C PHE A 12 3.159 7.572 -1.231 1.00 0.00 C ATOM 144 O PHE A 12 3.379 8.776 -1.378 1.00 0.00 O ATOM 145 CB PHE A 12 3.319 6.735 -3.546 1.00 0.00 C ATOM 146 CG PHE A 12 4.551 5.847 -3.435 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.637 6.258 -2.668 1.00 0.00 C ATOM 148 CD2 PHE A 12 4.604 4.633 -4.116 1.00 0.00 C ATOM 149 CE1 PHE A 12 6.746 5.448 -2.546 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.716 3.821 -3.999 1.00 0.00 C ATOM 151 CZ PHE A 12 6.791 4.221 -3.207 1.00 0.00 C ATOM 0 H PHE A 12 1.210 7.914 -3.537 1.00 0.00 H new ATOM 0 HA PHE A 12 2.227 5.748 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.720 6.398 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.640 7.752 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.611 7.214 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.775 4.326 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.581 5.764 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.752 2.876 -4.521 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.656 3.583 -3.106 1.00 0.00 H new ATOM 161 N ILE A 13 3.646 6.815 -0.268 1.00 0.00 N ATOM 162 CA ILE A 13 4.443 7.394 0.815 1.00 0.00 C ATOM 163 C ILE A 13 5.888 6.889 0.666 1.00 0.00 C ATOM 164 O ILE A 13 6.717 7.571 0.069 1.00 0.00 O ATOM 165 CB ILE A 13 3.793 7.060 2.168 1.00 0.00 C ATOM 166 CG1 ILE A 13 2.337 7.537 2.312 1.00 0.00 C ATOM 167 CG2 ILE A 13 4.661 7.634 3.278 1.00 0.00 C ATOM 168 CD1 ILE A 13 2.162 9.058 2.319 1.00 0.00 C ATOM 0 H ILE A 13 3.510 5.806 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 13 4.475 8.482 0.765 1.00 0.00 H new ATOM 0 HB ILE A 13 3.736 5.974 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.750 7.121 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.926 7.133 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.213 7.405 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.657 7.193 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.736 8.715 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.105 9.302 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.718 9.484 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.539 9.472 1.384 1.00 0.00 H new ATOM 180 N ASN A 14 6.147 5.705 1.222 1.00 0.00 N ATOM 181 CA ASN A 14 7.464 5.046 1.221 1.00 0.00 C ATOM 182 C ASN A 14 7.388 3.699 1.950 1.00 0.00 C ATOM 183 O ASN A 14 6.413 3.395 2.644 1.00 0.00 O ATOM 184 CB ASN A 14 8.496 5.934 1.927 1.00 0.00 C ATOM 185 CG ASN A 14 9.834 5.913 1.193 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.989 6.373 0.071 1.00 0.00 O ATOM 187 ND2 ASN A 14 10.806 5.267 1.788 1.00 0.00 N ATOM 0 H ASN A 14 5.430 5.159 1.700 1.00 0.00 H new ATOM 0 HA ASN A 14 7.764 4.882 0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.124 6.957 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.635 5.591 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.701 5.144 1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.667 4.887 2.724 1.00 0.00 H new ATOM 194 N SER A 15 8.441 2.926 1.731 1.00 0.00 N ATOM 195 CA SER A 15 8.641 1.584 2.308 1.00 0.00 C ATOM 196 C SER A 15 9.556 1.740 3.523 1.00 0.00 C ATOM 197 O SER A 15 10.605 2.383 3.460 1.00 0.00 O ATOM 198 CB SER A 15 9.394 0.667 1.336 1.00 0.00 C ATOM 199 OG SER A 15 9.225 1.074 -0.024 1.00 0.00 O ATOM 0 H SER A 15 9.211 3.215 1.128 1.00 0.00 H new ATOM 0 HA SER A 15 7.665 1.160 2.544 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.455 0.668 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.039 -0.357 1.455 1.00 0.00 H new ATOM 0 HG SER A 15 9.721 0.466 -0.611 1.00 0.00 H new ATOM 205 N VAL A 16 9.109 1.160 4.622 1.00 0.00 N ATOM 206 CA VAL A 16 9.840 1.170 5.903 1.00 0.00 C ATOM 207 C VAL A 16 10.036 -0.265 6.399 1.00 0.00 C ATOM 208 O VAL A 16 9.075 -1.013 6.577 1.00 0.00 O ATOM 209 CB VAL A 16 9.192 2.077 6.967 1.00 0.00 C ATOM 210 CG1 VAL A 16 9.415 3.554 6.635 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.692 1.835 7.116 1.00 0.00 C ATOM 0 H VAL A 16 8.221 0.660 4.664 1.00 0.00 H new ATOM 0 HA VAL A 16 10.820 1.612 5.722 1.00 0.00 H new ATOM 0 HB VAL A 16 9.677 1.823 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.948 4.174 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.484 3.762 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.971 3.780 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.290 2.502 7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.196 2.030 6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.518 0.800 7.410 1.00 0.00 H new ATOM 221 N GLU A 17 11.282 -0.709 6.270 1.00 0.00 N ATOM 222 CA GLU A 17 11.669 -2.083 6.641 1.00 0.00 C ATOM 223 C GLU A 17 11.347 -2.341 8.117 1.00 0.00 C ATOM 224 O GLU A 17 11.564 -1.483 8.970 1.00 0.00 O ATOM 225 CB GLU A 17 13.158 -2.284 6.349 1.00 0.00 C ATOM 226 CG GLU A 17 13.562 -3.757 6.430 1.00 0.00 C ATOM 227 CD GLU A 17 14.559 -4.001 7.562 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.771 -3.872 7.291 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.074 -4.340 8.665 1.00 0.00 O ATOM 0 H GLU A 17 12.050 -0.142 5.911 1.00 0.00 H new ATOM 0 HA GLU A 17 11.101 -2.801 6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.388 -1.899 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.748 -1.706 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.675 -4.371 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.002 -4.068 5.482 1.00 0.00 H new ATOM 236 N MET A 18 10.762 -3.510 8.350 1.00 0.00 N ATOM 237 CA MET A 18 10.358 -3.922 9.706 1.00 0.00 C ATOM 238 C MET A 18 10.742 -5.367 10.049 1.00 0.00 C ATOM 239 O MET A 18 10.196 -5.957 10.981 1.00 0.00 O ATOM 240 CB MET A 18 8.844 -3.723 9.825 1.00 0.00 C ATOM 241 CG MET A 18 8.416 -3.463 11.271 1.00 0.00 C ATOM 242 SD MET A 18 9.366 -2.125 12.084 1.00 0.00 S ATOM 243 CE MET A 18 8.980 -0.740 11.035 1.00 0.00 C ATOM 0 H MET A 18 10.553 -4.195 7.624 1.00 0.00 H new ATOM 0 HA MET A 18 10.897 -3.304 10.424 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.537 -2.885 9.199 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.331 -4.607 9.448 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.357 -3.207 11.288 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.532 -4.381 11.847 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.158 0.188 11.578 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.612 -0.769 10.147 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.933 -0.790 10.736 1.00 0.00 H new ATOM 253 N GLU A 19 11.715 -5.901 9.309 1.00 0.00 N ATOM 254 CA GLU A 19 12.149 -7.315 9.350 1.00 0.00 C ATOM 255 C GLU A 19 10.952 -8.267 9.122 1.00 0.00 C ATOM 256 O GLU A 19 9.845 -7.825 8.807 1.00 0.00 O ATOM 257 CB GLU A 19 12.935 -7.597 10.652 1.00 0.00 C ATOM 258 CG GLU A 19 12.070 -8.063 11.837 1.00 0.00 C ATOM 259 CD GLU A 19 12.664 -7.913 13.236 1.00 0.00 C ATOM 260 OE1 GLU A 19 13.376 -6.913 13.469 1.00 0.00 O ATOM 261 OE2 GLU A 19 12.300 -8.764 14.076 1.00 0.00 O ATOM 0 H GLU A 19 12.247 -5.348 8.637 1.00 0.00 H new ATOM 0 HA GLU A 19 12.838 -7.509 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.688 -8.358 10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.467 -6.691 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.131 -7.510 11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.826 -9.114 11.684 1.00 0.00 H new ATOM 268 N SER A 20 11.205 -9.570 9.220 1.00 0.00 N ATOM 269 CA SER A 20 10.137 -10.595 9.250 1.00 0.00 C ATOM 270 C SER A 20 9.375 -10.569 10.584 1.00 0.00 C ATOM 271 O SER A 20 9.458 -11.477 11.409 1.00 0.00 O ATOM 272 CB SER A 20 10.686 -12.007 9.015 1.00 0.00 C ATOM 273 OG SER A 20 10.762 -12.294 7.621 1.00 0.00 O ATOM 0 H SER A 20 12.148 -9.955 9.281 1.00 0.00 H new ATOM 0 HA SER A 20 9.454 -10.347 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.675 -12.097 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.045 -12.738 9.507 1.00 0.00 H new ATOM 0 HG SER A 20 11.537 -11.835 7.234 1.00 0.00 H new ATOM 279 N LEU A 21 8.726 -9.434 10.828 1.00 0.00 N ATOM 280 CA LEU A 21 7.911 -9.235 12.035 1.00 0.00 C ATOM 281 C LEU A 21 6.745 -10.240 12.045 1.00 0.00 C ATOM 282 O LEU A 21 6.805 -11.251 12.738 1.00 0.00 O ATOM 283 CB LEU A 21 7.453 -7.772 12.103 1.00 0.00 C ATOM 284 CG LEU A 21 7.611 -7.173 13.504 1.00 0.00 C ATOM 285 CD1 LEU A 21 9.081 -6.942 13.868 1.00 0.00 C ATOM 286 CD2 LEU A 21 6.855 -5.850 13.576 1.00 0.00 C ATOM 0 H LEU A 21 8.746 -8.628 10.203 1.00 0.00 H new ATOM 0 HA LEU A 21 8.496 -9.428 12.934 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.029 -7.181 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.408 -7.707 11.799 1.00 0.00 H new ATOM 0 HG LEU A 21 7.201 -7.886 14.220 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.145 -6.516 14.869 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.616 -7.891 13.842 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.529 -6.254 13.152 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.966 -5.421 14.572 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.260 -5.159 12.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.799 -6.023 13.371 1.00 0.00 H new ATOM 298 N THR A 22 5.739 -9.981 11.207 1.00 0.00 N ATOM 299 CA THR A 22 4.492 -10.781 11.122 1.00 0.00 C ATOM 300 C THR A 22 3.547 -10.245 10.027 1.00 0.00 C ATOM 301 O THR A 22 3.726 -10.505 8.838 1.00 0.00 O ATOM 302 CB THR A 22 3.810 -10.984 12.509 1.00 0.00 C ATOM 303 OG1 THR A 22 2.461 -11.436 12.369 1.00 0.00 O ATOM 304 CG2 THR A 22 3.826 -9.768 13.449 1.00 0.00 C ATOM 0 H THR A 22 5.758 -9.199 10.553 1.00 0.00 H new ATOM 0 HA THR A 22 4.771 -11.786 10.807 1.00 0.00 H new ATOM 0 HB THR A 22 4.433 -11.744 12.981 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.062 -11.555 13.256 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.325 -10.023 14.383 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.857 -9.482 13.657 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.307 -8.935 12.975 1.00 0.00 H new ATOM 312 N GLY A 23 2.662 -9.346 10.466 1.00 0.00 N ATOM 313 CA GLY A 23 1.615 -8.725 9.640 1.00 0.00 C ATOM 314 C GLY A 23 0.875 -7.678 10.486 1.00 0.00 C ATOM 315 O GLY A 23 1.246 -6.505 10.371 1.00 0.00 O ATOM 0 H GLY A 23 2.651 -9.019 11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.056 -8.256 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.918 -9.482 9.282 1.00 0.00 H new ATOM 319 N PRO A 24 0.031 -8.094 11.452 1.00 0.00 N ATOM 320 CA PRO A 24 -0.717 -7.174 12.341 1.00 0.00 C ATOM 321 C PRO A 24 0.149 -6.495 13.427 1.00 0.00 C ATOM 322 O PRO A 24 -0.139 -6.532 14.618 1.00 0.00 O ATOM 323 CB PRO A 24 -1.837 -8.050 12.913 1.00 0.00 C ATOM 324 CG PRO A 24 -1.183 -9.425 13.028 1.00 0.00 C ATOM 325 CD PRO A 24 -0.315 -9.497 11.771 1.00 0.00 C ATOM 0 HA PRO A 24 -1.100 -6.311 11.796 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.179 -7.685 13.881 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.706 -8.072 12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.587 -9.514 13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.924 -10.224 13.054 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.581 -10.093 11.946 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.854 -9.966 10.948 1.00 0.00 H new ATOM 333 N GLN A 25 1.220 -5.862 12.954 1.00 0.00 N ATOM 334 CA GLN A 25 2.234 -5.135 13.748 1.00 0.00 C ATOM 335 C GLN A 25 3.172 -4.314 12.845 1.00 0.00 C ATOM 336 O GLN A 25 3.371 -3.127 13.081 1.00 0.00 O ATOM 337 CB GLN A 25 3.066 -6.126 14.574 1.00 0.00 C ATOM 338 CG GLN A 25 3.989 -5.453 15.598 1.00 0.00 C ATOM 339 CD GLN A 25 3.264 -4.744 16.742 1.00 0.00 C ATOM 340 OE1 GLN A 25 2.182 -5.103 17.184 1.00 0.00 O ATOM 341 NE2 GLN A 25 3.871 -3.700 17.257 1.00 0.00 N ATOM 0 H GLN A 25 1.424 -5.835 11.955 1.00 0.00 H new ATOM 0 HA GLN A 25 1.706 -4.450 14.412 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.392 -6.805 15.097 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.669 -6.732 13.898 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.653 -6.208 16.019 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.617 -4.729 15.080 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.774 -3.401 16.888 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.440 -3.188 18.027 1.00 0.00 H new ATOM 350 N ALA A 26 3.590 -4.894 11.720 1.00 0.00 N ATOM 351 CA ALA A 26 4.438 -4.193 10.736 1.00 0.00 C ATOM 352 C ALA A 26 3.693 -3.020 10.083 1.00 0.00 C ATOM 353 O ALA A 26 4.297 -1.987 9.835 1.00 0.00 O ATOM 354 CB ALA A 26 4.956 -5.171 9.682 1.00 0.00 C ATOM 0 H ALA A 26 3.357 -5.852 11.460 1.00 0.00 H new ATOM 0 HA ALA A 26 5.293 -3.777 11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.579 -4.637 8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.546 -5.949 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.113 -5.626 9.162 1.00 0.00 H new ATOM 360 N ILE A 27 2.364 -3.131 10.010 1.00 0.00 N ATOM 361 CA ILE A 27 1.474 -2.036 9.584 1.00 0.00 C ATOM 362 C ILE A 27 1.523 -0.862 10.585 1.00 0.00 C ATOM 363 O ILE A 27 1.828 0.248 10.174 1.00 0.00 O ATOM 364 CB ILE A 27 0.053 -2.571 9.288 1.00 0.00 C ATOM 365 CG1 ILE A 27 0.006 -3.297 7.941 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.026 -1.490 9.228 1.00 0.00 C ATOM 367 CD1 ILE A 27 0.272 -4.797 8.025 1.00 0.00 C ATOM 0 H ILE A 27 1.866 -3.989 10.246 1.00 0.00 H new ATOM 0 HA ILE A 27 1.832 -1.621 8.641 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.156 -3.237 10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.974 -3.139 7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.740 -2.847 7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.991 -1.950 9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.074 -0.970 10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.783 -0.777 8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.220 -5.232 7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.264 -4.968 8.444 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.477 -5.264 8.664 1.00 0.00 H new ATOM 379 N SER A 28 1.481 -1.140 11.889 1.00 0.00 N ATOM 380 CA SER A 28 1.503 -0.064 12.905 1.00 0.00 C ATOM 381 C SER A 28 2.918 0.491 13.100 1.00 0.00 C ATOM 382 O SER A 28 3.116 1.688 12.954 1.00 0.00 O ATOM 383 CB SER A 28 0.940 -0.511 14.258 1.00 0.00 C ATOM 384 OG SER A 28 1.717 -1.590 14.779 1.00 0.00 O ATOM 0 H SER A 28 1.432 -2.084 12.272 1.00 0.00 H new ATOM 0 HA SER A 28 0.855 0.722 12.517 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.948 0.324 14.958 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.098 -0.822 14.144 1.00 0.00 H new ATOM 0 HG SER A 28 2.162 -2.058 14.042 1.00 0.00 H new ATOM 390 N LYS A 29 3.902 -0.403 13.148 1.00 0.00 N ATOM 391 CA LYS A 29 5.329 -0.045 13.213 1.00 0.00 C ATOM 392 C LYS A 29 5.835 0.685 11.954 1.00 0.00 C ATOM 393 O LYS A 29 6.871 1.333 11.985 1.00 0.00 O ATOM 394 CB LYS A 29 6.112 -1.319 13.522 1.00 0.00 C ATOM 395 CG LYS A 29 6.973 -1.111 14.767 1.00 0.00 C ATOM 396 CD LYS A 29 7.691 -2.404 15.155 1.00 0.00 C ATOM 397 CE LYS A 29 9.000 -2.126 15.900 1.00 0.00 C ATOM 398 NZ LYS A 29 8.787 -1.507 17.217 1.00 0.00 N ATOM 0 H LYS A 29 3.736 -1.409 13.143 1.00 0.00 H new ATOM 0 HA LYS A 29 5.483 0.684 14.009 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.424 -2.150 13.679 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.743 -1.584 12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.705 -0.325 14.581 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.348 -0.775 15.594 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.037 -3.009 15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.900 -2.987 14.258 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.546 -3.061 16.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.626 -1.472 15.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.706 -1.342 17.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.291 -0.601 17.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.213 -2.141 17.810 1.00 0.00 H new ATOM 412 N ALA A 30 5.029 0.649 10.893 1.00 0.00 N ATOM 413 CA ALA A 30 5.230 1.414 9.653 1.00 0.00 C ATOM 414 C ALA A 30 4.444 2.731 9.661 1.00 0.00 C ATOM 415 O ALA A 30 5.039 3.796 9.648 1.00 0.00 O ATOM 416 CB ALA A 30 4.757 0.572 8.473 1.00 0.00 C ATOM 0 H ALA A 30 4.190 0.069 10.868 1.00 0.00 H new ATOM 0 HA ALA A 30 6.291 1.650 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.901 1.129 7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.332 -0.353 8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.699 0.337 8.594 1.00 0.00 H new ATOM 422 N VAL A 31 3.162 2.664 10.012 1.00 0.00 N ATOM 423 CA VAL A 31 2.274 3.849 10.053 1.00 0.00 C ATOM 424 C VAL A 31 2.716 4.840 11.149 1.00 0.00 C ATOM 425 O VAL A 31 2.801 6.044 10.908 1.00 0.00 O ATOM 426 CB VAL A 31 0.807 3.422 10.229 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.135 4.629 10.305 1.00 0.00 C ATOM 428 CG2 VAL A 31 0.363 2.541 9.062 1.00 0.00 C ATOM 0 H VAL A 31 2.700 1.794 10.277 1.00 0.00 H new ATOM 0 HA VAL A 31 2.355 4.370 9.099 1.00 0.00 H new ATOM 0 HB VAL A 31 0.752 2.869 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.161 4.283 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.142 5.254 11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.057 5.210 9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.677 2.248 9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.461 3.096 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.989 1.649 9.021 1.00 0.00 H new ATOM 438 N ALA A 32 3.162 4.277 12.265 1.00 0.00 N ATOM 439 CA ALA A 32 3.682 5.022 13.424 1.00 0.00 C ATOM 440 C ALA A 32 5.143 5.459 13.230 1.00 0.00 C ATOM 441 O ALA A 32 5.646 6.273 13.992 1.00 0.00 O ATOM 442 CB ALA A 32 3.534 4.189 14.701 1.00 0.00 C ATOM 0 H ALA A 32 3.176 3.266 12.401 1.00 0.00 H new ATOM 0 HA ALA A 32 3.088 5.931 13.518 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.922 4.752 15.550 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.481 3.962 14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.093 3.259 14.596 1.00 0.00 H new ATOM 448 N GLU A 33 5.813 4.906 12.217 1.00 0.00 N ATOM 449 CA GLU A 33 7.181 5.322 11.841 1.00 0.00 C ATOM 450 C GLU A 33 7.244 5.930 10.428 1.00 0.00 C ATOM 451 O GLU A 33 8.235 5.836 9.703 1.00 0.00 O ATOM 452 CB GLU A 33 8.129 4.127 11.948 1.00 0.00 C ATOM 453 CG GLU A 33 8.249 3.627 13.388 1.00 0.00 C ATOM 454 CD GLU A 33 9.712 3.555 13.811 1.00 0.00 C ATOM 455 OE1 GLU A 33 10.429 2.686 13.270 1.00 0.00 O ATOM 456 OE2 GLU A 33 10.084 4.398 14.655 1.00 0.00 O ATOM 0 H GLU A 33 5.433 4.161 11.633 1.00 0.00 H new ATOM 0 HA GLU A 33 7.490 6.103 12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.769 3.319 11.311 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.114 4.410 11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.704 4.293 14.057 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.790 2.642 13.476 1.00 0.00 H new ATOM 463 N THR A 34 6.098 6.445 9.999 1.00 0.00 N ATOM 464 CA THR A 34 5.977 7.073 8.674 1.00 0.00 C ATOM 465 C THR A 34 5.138 8.353 8.701 1.00 0.00 C ATOM 466 O THR A 34 5.598 9.371 8.206 1.00 0.00 O ATOM 467 CB THR A 34 5.504 6.042 7.644 1.00 0.00 C ATOM 468 OG1 THR A 34 6.446 4.973 7.585 1.00 0.00 O ATOM 469 CG2 THR A 34 5.514 6.627 6.251 1.00 0.00 C ATOM 0 H THR A 34 5.236 6.444 10.544 1.00 0.00 H new ATOM 0 HA THR A 34 6.965 7.409 8.360 1.00 0.00 H new ATOM 0 HB THR A 34 4.505 5.724 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.230 4.309 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.174 5.875 5.538 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.849 7.489 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.527 6.939 5.995 1.00 0.00 H new ATOM 477 N LEU A 35 4.040 8.351 9.452 1.00 0.00 N ATOM 478 CA LEU A 35 3.250 9.583 9.671 1.00 0.00 C ATOM 479 C LEU A 35 3.987 10.628 10.524 1.00 0.00 C ATOM 480 O LEU A 35 3.813 11.830 10.342 1.00 0.00 O ATOM 481 CB LEU A 35 1.884 9.254 10.274 1.00 0.00 C ATOM 482 CG LEU A 35 0.846 8.928 9.197 1.00 0.00 C ATOM 483 CD1 LEU A 35 1.077 7.572 8.526 1.00 0.00 C ATOM 484 CD2 LEU A 35 -0.545 8.982 9.813 1.00 0.00 C ATOM 0 H LEU A 35 3.671 7.523 9.920 1.00 0.00 H new ATOM 0 HA LEU A 35 3.103 10.034 8.689 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.982 8.406 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.537 10.099 10.868 1.00 0.00 H new ATOM 0 HG LEU A 35 0.946 9.676 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.307 7.403 7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.058 7.564 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.031 6.782 9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.290 8.751 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.614 8.253 10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.729 9.981 10.209 1.00 0.00 H new ATOM 496 N VAL A 36 4.902 10.118 11.344 1.00 0.00 N ATOM 497 CA VAL A 36 5.781 10.932 12.199 1.00 0.00 C ATOM 498 C VAL A 36 7.253 10.857 11.748 1.00 0.00 C ATOM 499 O VAL A 36 8.093 11.519 12.351 1.00 0.00 O ATOM 500 CB VAL A 36 5.580 10.530 13.676 1.00 0.00 C ATOM 501 CG1 VAL A 36 6.327 9.259 14.101 1.00 0.00 C ATOM 502 CG2 VAL A 36 5.887 11.703 14.610 1.00 0.00 C ATOM 0 H VAL A 36 5.061 9.115 11.439 1.00 0.00 H new ATOM 0 HA VAL A 36 5.504 11.981 12.098 1.00 0.00 H new ATOM 0 HB VAL A 36 4.524 10.274 13.766 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.127 9.054 15.153 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.987 8.418 13.497 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.398 9.401 13.956 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.738 11.393 15.644 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.921 12.018 14.471 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.221 12.535 14.381 1.00 0.00 H new ATOM 512 N ALA A 37 7.548 10.038 10.726 1.00 0.00 N ATOM 513 CA ALA A 37 8.917 9.859 10.206 1.00 0.00 C ATOM 514 C ALA A 37 9.616 11.219 10.078 1.00 0.00 C ATOM 515 O ALA A 37 9.006 12.246 9.799 1.00 0.00 O ATOM 516 CB ALA A 37 8.895 9.153 8.850 1.00 0.00 C ATOM 0 H ALA A 37 6.847 9.481 10.236 1.00 0.00 H new ATOM 0 HA ALA A 37 9.471 9.238 10.909 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.915 9.032 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.429 8.173 8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.324 9.750 8.138 1.00 0.00 H new ATOM 522 N ASP A 38 10.763 11.247 10.734 1.00 0.00 N ATOM 523 CA ASP A 38 11.549 12.481 10.869 1.00 0.00 C ATOM 524 C ASP A 38 12.977 12.289 10.343 1.00 0.00 C ATOM 525 O ASP A 38 13.764 11.607 11.000 1.00 0.00 O ATOM 526 CB ASP A 38 11.448 13.077 12.284 1.00 0.00 C ATOM 527 CG ASP A 38 11.464 12.043 13.416 1.00 0.00 C ATOM 528 OD1 ASP A 38 12.581 11.673 13.831 1.00 0.00 O ATOM 529 OD2 ASP A 38 10.364 11.641 13.849 1.00 0.00 O ATOM 0 H ASP A 38 11.179 10.433 11.186 1.00 0.00 H new ATOM 0 HA ASP A 38 11.112 13.246 10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.276 13.770 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.529 13.659 12.354 1.00 0.00 H new ATOM 534 N PRO A 39 13.212 12.759 9.108 1.00 0.00 N ATOM 535 CA PRO A 39 12.235 13.444 8.230 1.00 0.00 C ATOM 536 C PRO A 39 11.207 12.497 7.584 1.00 0.00 C ATOM 537 O PRO A 39 11.420 11.287 7.518 1.00 0.00 O ATOM 538 CB PRO A 39 13.097 14.167 7.195 1.00 0.00 C ATOM 539 CG PRO A 39 14.319 13.258 7.054 1.00 0.00 C ATOM 540 CD PRO A 39 14.541 12.711 8.467 1.00 0.00 C ATOM 0 HA PRO A 39 11.606 14.128 8.800 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.572 14.285 6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.376 15.166 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 39 14.138 12.455 6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.189 13.811 6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.930 11.693 8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.265 13.314 9.014 1.00 0.00 H new ATOM 548 N THR A 40 10.037 13.062 7.296 1.00 0.00 N ATOM 549 CA THR A 40 8.913 12.313 6.695 1.00 0.00 C ATOM 550 C THR A 40 9.067 12.163 5.174 1.00 0.00 C ATOM 551 O THR A 40 9.582 13.078 4.524 1.00 0.00 O ATOM 552 CB THR A 40 7.546 12.861 7.174 1.00 0.00 C ATOM 553 OG1 THR A 40 6.922 11.794 7.883 1.00 0.00 O ATOM 554 CG2 THR A 40 6.566 13.404 6.125 1.00 0.00 C ATOM 0 H THR A 40 9.832 14.046 7.468 1.00 0.00 H new ATOM 0 HA THR A 40 8.943 11.288 7.064 1.00 0.00 H new ATOM 0 HB THR A 40 7.776 13.750 7.762 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.403 11.633 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.658 13.749 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.027 14.235 5.592 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.316 12.614 5.417 1.00 0.00 H new ATOM 562 N PRO A 41 8.662 11.013 4.628 1.00 0.00 N ATOM 563 CA PRO A 41 8.658 10.807 3.176 1.00 0.00 C ATOM 564 C PRO A 41 7.555 11.629 2.510 1.00 0.00 C ATOM 565 O PRO A 41 6.556 12.020 3.119 1.00 0.00 O ATOM 566 CB PRO A 41 8.481 9.304 2.983 1.00 0.00 C ATOM 567 CG PRO A 41 7.723 8.864 4.233 1.00 0.00 C ATOM 568 CD PRO A 41 8.212 9.798 5.335 1.00 0.00 C ATOM 0 HA PRO A 41 9.580 11.146 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.920 9.080 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.441 8.796 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.645 8.949 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.932 7.822 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.415 10.025 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.025 9.347 5.904 1.00 0.00 H new ATOM 576 N THR A 42 7.849 11.957 1.265 1.00 0.00 N ATOM 577 CA THR A 42 6.971 12.772 0.412 1.00 0.00 C ATOM 578 C THR A 42 5.748 11.954 -0.023 1.00 0.00 C ATOM 579 O THR A 42 5.751 10.725 -0.057 1.00 0.00 O ATOM 580 CB THR A 42 7.744 13.290 -0.809 1.00 0.00 C ATOM 581 OG1 THR A 42 8.320 12.184 -1.508 1.00 0.00 O ATOM 582 CG2 THR A 42 8.825 14.299 -0.405 1.00 0.00 C ATOM 0 H THR A 42 8.711 11.667 0.803 1.00 0.00 H new ATOM 0 HA THR A 42 6.623 13.632 0.984 1.00 0.00 H new ATOM 0 HB THR A 42 7.048 13.812 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.813 12.512 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.352 14.644 -1.295 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.361 15.149 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.533 13.822 0.273 1.00 0.00 H new ATOM 590 N ALA A 43 4.684 12.700 -0.270 1.00 0.00 N ATOM 591 CA ALA A 43 3.373 12.157 -0.639 1.00 0.00 C ATOM 592 C ALA A 43 3.119 12.339 -2.147 1.00 0.00 C ATOM 593 O ALA A 43 2.888 13.456 -2.610 1.00 0.00 O ATOM 594 CB ALA A 43 2.374 12.934 0.227 1.00 0.00 C ATOM 0 H ALA A 43 4.700 13.719 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 43 3.289 11.084 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.362 12.589 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.599 12.768 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.449 13.998 0.003 1.00 0.00 H new ATOM 600 N THR A 44 3.288 11.265 -2.920 1.00 0.00 N ATOM 601 CA THR A 44 3.074 11.328 -4.387 1.00 0.00 C ATOM 602 C THR A 44 1.910 10.447 -4.874 1.00 0.00 C ATOM 603 O THR A 44 1.723 9.334 -4.398 1.00 0.00 O ATOM 604 CB THR A 44 4.379 11.040 -5.156 1.00 0.00 C ATOM 605 OG1 THR A 44 4.224 11.441 -6.520 1.00 0.00 O ATOM 606 CG2 THR A 44 4.865 9.587 -5.076 1.00 0.00 C ATOM 0 H THR A 44 3.568 10.348 -2.572 1.00 0.00 H new ATOM 0 HA THR A 44 2.775 12.352 -4.609 1.00 0.00 H new ATOM 0 HB THR A 44 5.157 11.625 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.775 10.868 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.788 9.480 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.049 9.322 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.104 8.925 -5.490 1.00 0.00 H new ATOM 614 N ILE A 45 1.134 10.943 -5.830 1.00 0.00 N ATOM 615 CA ILE A 45 -0.015 10.190 -6.384 1.00 0.00 C ATOM 616 C ILE A 45 0.512 9.127 -7.361 1.00 0.00 C ATOM 617 O ILE A 45 1.310 9.398 -8.262 1.00 0.00 O ATOM 618 CB ILE A 45 -1.055 11.110 -7.056 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.509 12.202 -6.074 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.258 10.293 -7.561 1.00 0.00 C ATOM 621 CD1 ILE A 45 -2.235 13.388 -6.724 1.00 0.00 C ATOM 0 H ILE A 45 1.269 11.864 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.539 9.703 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.591 11.591 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.169 11.753 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.636 12.577 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.980 10.961 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.918 9.556 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.730 9.783 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.518 14.107 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.574 13.868 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.130 13.032 -7.234 1.00 0.00 H new ATOM 633 N VAL A 46 0.131 7.901 -7.040 1.00 0.00 N ATOM 634 CA VAL A 46 0.467 6.701 -7.826 1.00 0.00 C ATOM 635 C VAL A 46 -0.790 5.889 -8.171 1.00 0.00 C ATOM 636 O VAL A 46 -1.793 5.924 -7.458 1.00 0.00 O ATOM 637 CB VAL A 46 1.522 5.826 -7.121 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.862 6.561 -7.010 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.059 5.317 -5.754 1.00 0.00 C ATOM 0 H VAL A 46 -0.431 7.697 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 46 0.909 7.045 -8.761 1.00 0.00 H new ATOM 0 HB VAL A 46 1.661 4.945 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.588 5.921 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.225 6.809 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.728 7.477 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.845 4.707 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.844 6.165 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.158 4.716 -5.876 1.00 0.00 H new ATOM 649 N HIS A 47 -0.626 5.028 -9.162 1.00 0.00 N ATOM 650 CA HIS A 47 -1.701 4.132 -9.615 1.00 0.00 C ATOM 651 C HIS A 47 -1.470 2.710 -9.095 1.00 0.00 C ATOM 652 O HIS A 47 -0.359 2.186 -9.155 1.00 0.00 O ATOM 653 CB HIS A 47 -1.793 4.157 -11.142 1.00 0.00 C ATOM 654 CG HIS A 47 -2.637 5.335 -11.666 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.857 5.221 -12.170 1.00 0.00 N ATOM 656 CD2 HIS A 47 -2.259 6.601 -11.788 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.237 6.422 -12.608 1.00 0.00 C ATOM 658 NE2 HIS A 47 -3.244 7.273 -12.388 1.00 0.00 N ATOM 0 H HIS A 47 0.247 4.923 -9.679 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.650 4.482 -9.210 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.789 4.219 -11.562 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.227 3.220 -11.491 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.318 7.016 -11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.187 6.660 -13.062 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.235 8.263 -12.633 1.00 0.00 H new ATOM 666 N PHE A 48 -2.528 2.172 -8.498 1.00 0.00 N ATOM 667 CA PHE A 48 -2.513 0.823 -7.902 1.00 0.00 C ATOM 668 C PHE A 48 -3.209 -0.175 -8.839 1.00 0.00 C ATOM 669 O PHE A 48 -4.439 -0.226 -8.938 1.00 0.00 O ATOM 670 CB PHE A 48 -3.227 0.875 -6.551 1.00 0.00 C ATOM 671 CG PHE A 48 -2.516 0.104 -5.447 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.624 -1.272 -5.348 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.806 0.795 -4.482 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.027 -1.945 -4.296 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.203 0.140 -3.426 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.308 -1.245 -3.331 1.00 0.00 C ATOM 0 H PHE A 48 -3.424 2.651 -8.409 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.484 0.493 -7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.330 1.916 -6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.235 0.476 -6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.176 -1.823 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.721 1.869 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.119 -3.019 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.655 0.697 -2.681 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.836 -1.772 -2.515 1.00 0.00 H new ATOM 686 N LYS A 49 -2.373 -0.866 -9.604 1.00 0.00 N ATOM 687 CA LYS A 49 -2.826 -1.875 -10.580 1.00 0.00 C ATOM 688 C LYS A 49 -2.721 -3.265 -9.947 1.00 0.00 C ATOM 689 O LYS A 49 -1.640 -3.694 -9.556 1.00 0.00 O ATOM 690 CB LYS A 49 -2.017 -1.774 -11.881 1.00 0.00 C ATOM 691 CG LYS A 49 -2.423 -2.844 -12.905 1.00 0.00 C ATOM 692 CD LYS A 49 -2.661 -2.293 -14.314 1.00 0.00 C ATOM 693 CE LYS A 49 -1.381 -1.881 -15.034 1.00 0.00 C ATOM 694 NZ LYS A 49 -1.711 -1.434 -16.392 1.00 0.00 N ATOM 0 H LYS A 49 -1.360 -0.750 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.868 -1.692 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.157 -0.785 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.956 -1.875 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.644 -3.605 -12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.331 -3.338 -12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.175 -3.049 -14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.325 -1.431 -14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.883 -1.081 -14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.686 -2.720 -15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.840 -1.152 -16.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.168 -2.210 -16.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.359 -0.622 -16.342 1.00 0.00 H new ATOM 708 N VAL A 50 -3.894 -3.787 -9.613 1.00 0.00 N ATOM 709 CA VAL A 50 -4.014 -5.115 -8.984 1.00 0.00 C ATOM 710 C VAL A 50 -4.707 -6.069 -9.952 1.00 0.00 C ATOM 711 O VAL A 50 -5.906 -5.980 -10.211 1.00 0.00 O ATOM 712 CB VAL A 50 -4.831 -5.089 -7.687 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.749 -6.445 -6.967 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.445 -3.928 -6.770 1.00 0.00 C ATOM 0 H VAL A 50 -4.786 -3.315 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.002 -5.442 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.871 -4.916 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.335 -6.406 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.144 -7.226 -7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.710 -6.666 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.055 -3.959 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.392 -4.012 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.612 -2.984 -7.288 1.00 0.00 H new ATOM 724 N SER A 51 -3.922 -7.019 -10.415 1.00 0.00 N ATOM 725 CA SER A 51 -4.437 -8.061 -11.311 1.00 0.00 C ATOM 726 C SER A 51 -3.846 -9.403 -10.922 1.00 0.00 C ATOM 727 O SER A 51 -2.628 -9.514 -10.869 1.00 0.00 O ATOM 728 CB SER A 51 -4.046 -7.705 -12.736 1.00 0.00 C ATOM 729 OG SER A 51 -4.298 -8.785 -13.643 1.00 0.00 O ATOM 0 H SER A 51 -2.930 -7.101 -10.194 1.00 0.00 H new ATOM 0 HA SER A 51 -5.522 -8.126 -11.234 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.603 -6.824 -13.056 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.988 -7.443 -12.768 1.00 0.00 H new ATOM 0 HG SER A 51 -4.036 -8.519 -14.549 1.00 0.00 H new ATOM 735 N ALA A 52 -4.750 -10.339 -10.627 1.00 0.00 N ATOM 736 CA ALA A 52 -4.467 -11.738 -10.231 1.00 0.00 C ATOM 737 C ALA A 52 -2.980 -12.003 -9.931 1.00 0.00 C ATOM 738 O ALA A 52 -2.183 -12.275 -10.830 1.00 0.00 O ATOM 739 CB ALA A 52 -4.988 -12.670 -11.332 1.00 0.00 C ATOM 0 H ALA A 52 -5.750 -10.142 -10.656 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.984 -11.934 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.788 -13.706 -11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.062 -12.527 -11.451 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.485 -12.440 -12.271 1.00 0.00 H new ATOM 745 N GLN A 53 -2.620 -11.617 -8.705 1.00 0.00 N ATOM 746 CA GLN A 53 -1.221 -11.572 -8.226 1.00 0.00 C ATOM 747 C GLN A 53 -0.319 -10.712 -9.143 1.00 0.00 C ATOM 748 O GLN A 53 0.555 -11.211 -9.847 1.00 0.00 O ATOM 749 CB GLN A 53 -0.736 -13.024 -8.072 1.00 0.00 C ATOM 750 CG GLN A 53 0.691 -13.176 -7.536 1.00 0.00 C ATOM 751 CD GLN A 53 1.531 -14.115 -8.403 1.00 0.00 C ATOM 752 OE1 GLN A 53 1.061 -14.940 -9.173 1.00 0.00 O ATOM 753 NE2 GLN A 53 2.832 -14.005 -8.283 1.00 0.00 N ATOM 0 H GLN A 53 -3.296 -11.321 -8.001 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.165 -11.076 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.417 -13.550 -7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.798 -13.517 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.169 -12.197 -7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.656 -13.558 -6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.229 -13.318 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.447 -14.606 -8.831 1.00 0.00 H new ATOM 762 N GLY A 54 -0.466 -9.391 -8.996 1.00 0.00 N ATOM 763 CA GLY A 54 0.296 -8.433 -9.823 1.00 0.00 C ATOM 764 C GLY A 54 -0.086 -6.998 -9.478 1.00 0.00 C ATOM 765 O GLY A 54 -1.045 -6.446 -10.015 1.00 0.00 O ATOM 0 H GLY A 54 -1.097 -8.959 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.365 -8.578 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.102 -8.622 -10.879 1.00 0.00 H new ATOM 769 N ILE A 55 0.565 -6.559 -8.408 1.00 0.00 N ATOM 770 CA ILE A 55 0.417 -5.201 -7.852 1.00 0.00 C ATOM 771 C ILE A 55 1.528 -4.386 -8.515 1.00 0.00 C ATOM 772 O ILE A 55 2.694 -4.700 -8.313 1.00 0.00 O ATOM 773 CB ILE A 55 0.663 -5.186 -6.327 1.00 0.00 C ATOM 774 CG1 ILE A 55 -0.236 -6.156 -5.550 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.637 -3.767 -5.731 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.722 -5.801 -5.496 1.00 0.00 C ATOM 0 H ILE A 55 1.223 -7.138 -7.887 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.587 -4.816 -8.032 1.00 0.00 H new ATOM 0 HB ILE A 55 1.680 -5.559 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.136 -7.146 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.137 -6.226 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.816 -3.820 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.414 -3.162 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.337 -3.313 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.256 -6.558 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.847 -4.828 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.124 -5.764 -6.508 1.00 0.00 H new ATOM 788 N THR A 56 1.122 -3.295 -9.141 1.00 0.00 N ATOM 789 CA THR A 56 2.035 -2.366 -9.831 1.00 0.00 C ATOM 790 C THR A 56 1.687 -0.934 -9.406 1.00 0.00 C ATOM 791 O THR A 56 0.516 -0.600 -9.209 1.00 0.00 O ATOM 792 CB THR A 56 1.933 -2.567 -11.354 1.00 0.00 C ATOM 793 OG1 THR A 56 2.084 -3.960 -11.651 1.00 0.00 O ATOM 794 CG2 THR A 56 3.025 -1.800 -12.109 1.00 0.00 C ATOM 0 H THR A 56 0.142 -3.016 -9.192 1.00 0.00 H new ATOM 0 HA THR A 56 3.071 -2.562 -9.554 1.00 0.00 H new ATOM 0 HB THR A 56 0.961 -2.191 -11.672 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.019 -4.097 -12.619 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.915 -1.970 -13.180 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.932 -0.734 -11.900 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.005 -2.149 -11.785 1.00 0.00 H new ATOM 802 N LEU A 57 2.751 -0.208 -9.086 1.00 0.00 N ATOM 803 CA LEU A 57 2.730 1.188 -8.614 1.00 0.00 C ATOM 804 C LEU A 57 3.697 2.047 -9.422 1.00 0.00 C ATOM 805 O LEU A 57 4.878 1.738 -9.562 1.00 0.00 O ATOM 806 CB LEU A 57 3.117 1.237 -7.134 1.00 0.00 C ATOM 807 CG LEU A 57 1.988 0.679 -6.272 1.00 0.00 C ATOM 808 CD1 LEU A 57 2.532 0.203 -4.928 1.00 0.00 C ATOM 809 CD2 LEU A 57 0.933 1.763 -6.060 1.00 0.00 C ATOM 0 H LEU A 57 3.697 -0.584 -9.148 1.00 0.00 H new ATOM 0 HA LEU A 57 1.722 1.582 -8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.028 0.661 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.333 2.265 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 57 1.535 -0.173 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.715 -0.192 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.273 -0.579 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.997 1.040 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.124 1.368 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.386 2.619 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.535 2.077 -7.025 1.00 0.00 H new ATOM 821 N THR A 58 3.122 3.089 -9.995 1.00 0.00 N ATOM 822 CA THR A 58 3.822 3.974 -10.947 1.00 0.00 C ATOM 823 C THR A 58 3.550 5.427 -10.531 1.00 0.00 C ATOM 824 O THR A 58 2.459 5.728 -10.040 1.00 0.00 O ATOM 825 CB THR A 58 3.349 3.736 -12.402 1.00 0.00 C ATOM 826 OG1 THR A 58 2.113 4.395 -12.663 1.00 0.00 O ATOM 827 CG2 THR A 58 3.115 2.259 -12.759 1.00 0.00 C ATOM 0 H THR A 58 2.153 3.358 -9.822 1.00 0.00 H new ATOM 0 HA THR A 58 4.890 3.759 -10.920 1.00 0.00 H new ATOM 0 HB THR A 58 4.168 4.131 -13.003 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.842 4.227 -13.590 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.786 2.183 -13.795 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.043 1.702 -12.631 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.350 1.843 -12.104 1.00 0.00 H new ATOM 835 N ASP A 59 4.558 6.288 -10.650 1.00 0.00 N ATOM 836 CA ASP A 59 4.367 7.726 -10.377 1.00 0.00 C ATOM 837 C ASP A 59 3.762 8.398 -11.613 1.00 0.00 C ATOM 838 O ASP A 59 4.293 8.292 -12.715 1.00 0.00 O ATOM 839 CB ASP A 59 5.696 8.399 -10.052 1.00 0.00 C ATOM 840 CG ASP A 59 5.549 9.726 -9.296 1.00 0.00 C ATOM 841 OD1 ASP A 59 5.137 10.746 -9.896 1.00 0.00 O ATOM 842 OD2 ASP A 59 5.849 9.724 -8.085 1.00 0.00 O ATOM 0 H ASP A 59 5.504 6.029 -10.929 1.00 0.00 H new ATOM 0 HA ASP A 59 3.701 7.829 -9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.302 7.717 -9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.238 8.578 -10.980 1.00 0.00 H new ATOM 847 N ASN A 60 2.592 8.973 -11.376 1.00 0.00 N ATOM 848 CA ASN A 60 1.880 9.786 -12.380 1.00 0.00 C ATOM 849 C ASN A 60 1.446 11.169 -11.871 1.00 0.00 C ATOM 850 O ASN A 60 0.738 11.901 -12.559 1.00 0.00 O ATOM 851 CB ASN A 60 0.670 8.991 -12.870 1.00 0.00 C ATOM 852 CG ASN A 60 0.969 8.268 -14.183 1.00 0.00 C ATOM 853 OD1 ASN A 60 1.770 7.346 -14.290 1.00 0.00 O ATOM 854 ND2 ASN A 60 0.277 8.683 -15.218 1.00 0.00 N ATOM 0 H ASN A 60 2.100 8.896 -10.486 1.00 0.00 H new ATOM 0 HA ASN A 60 2.576 9.987 -13.194 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.379 8.264 -12.111 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.177 9.663 -13.008 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.402 8.237 -16.127 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.386 9.451 -15.113 1.00 0.00 H new ATOM 861 N GLN A 61 1.957 11.539 -10.700 1.00 0.00 N ATOM 862 CA GLN A 61 1.630 12.829 -10.069 1.00 0.00 C ATOM 863 C GLN A 61 2.473 13.953 -10.692 1.00 0.00 C ATOM 864 O GLN A 61 1.941 14.969 -11.127 1.00 0.00 O ATOM 865 CB GLN A 61 1.853 12.705 -8.559 1.00 0.00 C ATOM 866 CG GLN A 61 1.294 13.880 -7.747 1.00 0.00 C ATOM 867 CD GLN A 61 2.145 15.141 -7.865 1.00 0.00 C ATOM 868 OE1 GLN A 61 1.807 16.125 -8.504 1.00 0.00 O ATOM 869 NE2 GLN A 61 3.265 15.135 -7.183 1.00 0.00 N ATOM 0 H GLN A 61 2.604 10.964 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 61 0.585 13.086 -10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.391 11.782 -8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.922 12.619 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.281 14.099 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.226 13.591 -6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.535 14.306 -6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.866 15.959 -7.182 1.00 0.00 H new ATOM 983 N ARG A 67 9.058 1.810 -11.906 1.00 0.00 N ATOM 984 CA ARG A 67 7.798 1.488 -11.216 1.00 0.00 C ATOM 985 C ARG A 67 8.049 0.387 -10.184 1.00 0.00 C ATOM 986 O ARG A 67 8.967 -0.423 -10.321 1.00 0.00 O ATOM 987 CB ARG A 67 6.723 1.071 -12.228 1.00 0.00 C ATOM 988 CG ARG A 67 6.504 2.164 -13.280 1.00 0.00 C ATOM 989 CD ARG A 67 7.213 1.852 -14.597 1.00 0.00 C ATOM 990 NE ARG A 67 6.374 0.967 -15.425 1.00 0.00 N ATOM 991 CZ ARG A 67 6.788 0.279 -16.491 1.00 0.00 C ATOM 992 NH1 ARG A 67 8.071 0.223 -16.824 1.00 0.00 N ATOM 993 NH2 ARG A 67 5.923 -0.414 -17.216 1.00 0.00 N ATOM 0 HA ARG A 67 7.432 2.373 -10.696 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.020 0.144 -12.718 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.787 0.870 -11.707 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.436 2.280 -13.464 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.866 3.116 -12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.421 2.777 -15.135 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.173 1.375 -14.399 1.00 0.00 H new ATOM 0 HE ARG A 67 5.393 0.872 -15.161 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.766 0.713 -16.260 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.362 -0.310 -17.644 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.936 -0.423 -16.961 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.244 -0.938 -18.030 1.00 0.00 H new ATOM 1007 N ARG A 68 7.225 0.397 -9.149 1.00 0.00 N ATOM 1008 CA ARG A 68 7.306 -0.578 -8.054 1.00 0.00 C ATOM 1009 C ARG A 68 6.150 -1.572 -8.095 1.00 0.00 C ATOM 1010 O ARG A 68 4.988 -1.204 -7.966 1.00 0.00 O ATOM 1011 CB ARG A 68 7.323 0.166 -6.727 1.00 0.00 C ATOM 1012 CG ARG A 68 8.714 0.031 -6.122 1.00 0.00 C ATOM 1013 CD ARG A 68 8.894 1.095 -5.048 1.00 0.00 C ATOM 1014 NE ARG A 68 10.049 0.740 -4.211 1.00 0.00 N ATOM 1015 CZ ARG A 68 10.634 1.548 -3.326 1.00 0.00 C ATOM 1016 NH1 ARG A 68 10.240 2.805 -3.178 1.00 0.00 N ATOM 1017 NH2 ARG A 68 11.653 1.117 -2.602 1.00 0.00 N ATOM 0 H ARG A 68 6.476 1.080 -9.037 1.00 0.00 H new ATOM 0 HA ARG A 68 8.225 -1.153 -8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.074 1.217 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.573 -0.245 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.843 -0.963 -5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.473 0.145 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.048 2.071 -5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.995 1.169 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 68 10.434 -0.199 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.476 3.170 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.701 3.407 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.995 0.163 -2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.097 1.738 -1.926 1.00 0.00 H new ATOM 1031 N HIS A 69 6.502 -2.820 -8.359 1.00 0.00 N ATOM 1032 CA HIS A 69 5.498 -3.892 -8.413 1.00 0.00 C ATOM 1033 C HIS A 69 5.858 -5.010 -7.431 1.00 0.00 C ATOM 1034 O HIS A 69 7.016 -5.402 -7.311 1.00 0.00 O ATOM 1035 CB HIS A 69 5.269 -4.415 -9.840 1.00 0.00 C ATOM 1036 CG HIS A 69 6.485 -5.067 -10.505 1.00 0.00 C ATOM 1037 ND1 HIS A 69 7.318 -4.457 -11.333 1.00 0.00 N ATOM 1038 CD2 HIS A 69 6.888 -6.322 -10.341 1.00 0.00 C ATOM 1039 CE1 HIS A 69 8.260 -5.339 -11.674 1.00 0.00 C ATOM 1040 NE2 HIS A 69 7.993 -6.488 -11.064 1.00 0.00 N ATOM 0 H HIS A 69 7.460 -3.122 -8.538 1.00 0.00 H new ATOM 0 HA HIS A 69 4.543 -3.468 -8.102 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.456 -5.141 -9.816 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.937 -3.585 -10.464 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.406 -7.072 -9.731 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.095 -5.151 -12.332 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.539 -7.347 -11.137 1.00 0.00 H new ATOM 1048 N TYR A 70 4.840 -5.451 -6.710 1.00 0.00 N ATOM 1049 CA TYR A 70 4.994 -6.486 -5.675 1.00 0.00 C ATOM 1050 C TYR A 70 4.036 -7.656 -5.950 1.00 0.00 C ATOM 1051 O TYR A 70 2.838 -7.431 -6.142 1.00 0.00 O ATOM 1052 CB TYR A 70 4.746 -5.887 -4.285 1.00 0.00 C ATOM 1053 CG TYR A 70 5.663 -4.701 -3.979 1.00 0.00 C ATOM 1054 CD1 TYR A 70 7.050 -4.829 -3.989 1.00 0.00 C ATOM 1055 CD2 TYR A 70 5.084 -3.462 -3.717 1.00 0.00 C ATOM 1056 CE1 TYR A 70 7.849 -3.730 -3.738 1.00 0.00 C ATOM 1057 CE2 TYR A 70 5.879 -2.361 -3.465 1.00 0.00 C ATOM 1058 CZ TYR A 70 7.263 -2.495 -3.492 1.00 0.00 C ATOM 1059 OH TYR A 70 8.061 -1.415 -3.363 1.00 0.00 O ATOM 0 H TYR A 70 3.885 -5.110 -6.817 1.00 0.00 H new ATOM 0 HA TYR A 70 6.015 -6.868 -5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.707 -5.565 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.894 -6.659 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.502 -5.789 -4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.009 -3.362 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.924 -3.831 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.429 -1.403 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 70 8.136 -1.175 -2.416 1.00 0.00 H new ATOM 1069 N PRO A 71 4.564 -8.879 -6.080 1.00 0.00 N ATOM 1070 CA PRO A 71 3.716 -10.072 -6.270 1.00 0.00 C ATOM 1071 C PRO A 71 2.890 -10.350 -5.007 1.00 0.00 C ATOM 1072 O PRO A 71 3.351 -10.126 -3.891 1.00 0.00 O ATOM 1073 CB PRO A 71 4.695 -11.197 -6.615 1.00 0.00 C ATOM 1074 CG PRO A 71 6.018 -10.761 -5.982 1.00 0.00 C ATOM 1075 CD PRO A 71 5.997 -9.234 -6.092 1.00 0.00 C ATOM 0 HA PRO A 71 2.978 -9.954 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.359 -12.153 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.793 -11.321 -7.693 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.090 -11.085 -4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.872 -11.187 -6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.527 -8.769 -5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.481 -8.896 -7.008 1.00 0.00 H new ATOM 1083 N LEU A 72 1.685 -10.886 -5.190 1.00 0.00 N ATOM 1084 CA LEU A 72 0.805 -11.264 -4.057 1.00 0.00 C ATOM 1085 C LEU A 72 1.428 -12.308 -3.121 1.00 0.00 C ATOM 1086 O LEU A 72 1.355 -12.148 -1.909 1.00 0.00 O ATOM 1087 CB LEU A 72 -0.556 -11.768 -4.548 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.728 -10.792 -4.378 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -1.454 -9.417 -4.979 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -2.949 -11.371 -5.092 1.00 0.00 C ATOM 0 H LEU A 72 1.284 -11.073 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 72 0.670 -10.348 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.469 -12.022 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.795 -12.690 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.887 -10.667 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.321 -8.774 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.584 -8.975 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.262 -9.519 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.792 -10.689 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.724 -11.501 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.203 -12.336 -4.654 1.00 0.00 H new ATOM 1102 N ASN A 73 2.286 -13.145 -3.707 1.00 0.00 N ATOM 1103 CA ASN A 73 3.096 -14.139 -2.969 1.00 0.00 C ATOM 1104 C ASN A 73 4.058 -13.462 -1.972 1.00 0.00 C ATOM 1105 O ASN A 73 4.610 -14.081 -1.067 1.00 0.00 O ATOM 1106 CB ASN A 73 3.892 -14.981 -3.970 1.00 0.00 C ATOM 1107 CG ASN A 73 4.229 -16.367 -3.411 1.00 0.00 C ATOM 1108 OD1 ASN A 73 3.941 -16.733 -2.282 1.00 0.00 O ATOM 1109 ND2 ASN A 73 4.768 -17.221 -4.247 1.00 0.00 N ATOM 0 H ASN A 73 2.446 -13.159 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 73 2.421 -14.774 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.318 -15.091 -4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.814 -14.461 -4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.943 -18.182 -3.952 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.012 -16.925 -5.192 1.00 0.00 H new ATOM 1116 N THR A 74 4.339 -12.194 -2.252 1.00 0.00 N ATOM 1117 CA THR A 74 5.132 -11.323 -1.384 1.00 0.00 C ATOM 1118 C THR A 74 4.305 -10.558 -0.351 1.00 0.00 C ATOM 1119 O THR A 74 4.754 -10.419 0.783 1.00 0.00 O ATOM 1120 CB THR A 74 6.008 -10.441 -2.273 1.00 0.00 C ATOM 1121 OG1 THR A 74 7.303 -10.788 -1.836 1.00 0.00 O ATOM 1122 CG2 THR A 74 5.793 -8.918 -2.292 1.00 0.00 C ATOM 0 H THR A 74 4.018 -11.732 -3.103 1.00 0.00 H new ATOM 0 HA THR A 74 5.777 -11.933 -0.752 1.00 0.00 H new ATOM 0 HB THR A 74 5.764 -10.639 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.967 -10.278 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.504 -8.459 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.777 -8.698 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.945 -8.517 -1.290 1.00 0.00 H new ATOM 1130 N VAL A 75 3.218 -9.947 -0.817 1.00 0.00 N ATOM 1131 CA VAL A 75 2.315 -9.142 0.023 1.00 0.00 C ATOM 1132 C VAL A 75 1.553 -10.106 0.952 1.00 0.00 C ATOM 1133 O VAL A 75 0.429 -10.526 0.688 1.00 0.00 O ATOM 1134 CB VAL A 75 1.402 -8.262 -0.859 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.427 -7.434 -0.020 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.215 -7.279 -1.709 1.00 0.00 C ATOM 0 H VAL A 75 2.931 -9.993 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 75 2.865 -8.440 0.650 1.00 0.00 H new ATOM 0 HB VAL A 75 0.855 -8.955 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.197 -6.829 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.205 -8.101 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.987 -6.781 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.539 -6.677 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.795 -6.626 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.891 -7.834 -2.360 1.00 0.00 H new ATOM 1146 N THR A 76 2.271 -10.474 2.005 1.00 0.00 N ATOM 1147 CA THR A 76 1.827 -11.369 3.091 1.00 0.00 C ATOM 1148 C THR A 76 0.557 -10.817 3.753 1.00 0.00 C ATOM 1149 O THR A 76 -0.470 -11.486 3.822 1.00 0.00 O ATOM 1150 CB THR A 76 2.945 -11.545 4.137 1.00 0.00 C ATOM 1151 OG1 THR A 76 3.425 -10.276 4.599 1.00 0.00 O ATOM 1152 CG2 THR A 76 4.113 -12.371 3.587 1.00 0.00 C ATOM 0 H THR A 76 3.227 -10.146 2.141 1.00 0.00 H new ATOM 0 HA THR A 76 1.599 -12.345 2.662 1.00 0.00 H new ATOM 0 HB THR A 76 2.509 -12.086 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.355 -9.617 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.880 -12.472 4.355 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.756 -13.359 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.535 -11.869 2.716 1.00 0.00 H new ATOM 1160 N PHE A 77 0.636 -9.548 4.133 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.490 -8.816 4.730 1.00 0.00 C ATOM 1162 C PHE A 77 -0.716 -7.506 3.974 1.00 0.00 C ATOM 1163 O PHE A 77 0.254 -6.853 3.610 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.133 -8.502 6.180 1.00 0.00 C ATOM 1165 CG PHE A 77 -1.340 -8.686 7.086 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -2.367 -7.746 7.104 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -1.424 -9.827 7.880 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -3.464 -7.946 7.920 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -2.519 -10.019 8.701 1.00 0.00 C ATOM 1170 CZ PHE A 77 -3.544 -9.077 8.728 1.00 0.00 C ATOM 0 H PHE A 77 1.484 -8.989 4.038 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.398 -9.417 4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.677 -9.153 6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.231 -7.477 6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.306 -6.865 6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.633 -10.562 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.264 -7.221 7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.580 -10.900 9.322 1.00 0.00 H new ATOM 0 HZ PHE A 77 -4.398 -9.223 9.373 1.00 0.00 H new ATOM 1180 N CYS A 78 -1.975 -7.091 3.872 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.368 -5.836 3.200 1.00 0.00 C ATOM 1182 C CYS A 78 -3.639 -5.228 3.807 1.00 0.00 C ATOM 1183 O CYS A 78 -4.765 -5.542 3.428 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.475 -6.057 1.684 1.00 0.00 C ATOM 1185 SG CYS A 78 -3.151 -7.683 1.173 1.00 0.00 S ATOM 0 H CYS A 78 -2.764 -7.613 4.253 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.585 -5.096 3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.104 -5.272 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.484 -5.941 1.246 1.00 0.00 H new ATOM 0 HG CYS A 78 -4.358 -7.816 1.637 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.398 -4.492 4.889 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.453 -3.849 5.695 1.00 0.00 C ATOM 1193 C ASP A 79 -4.090 -2.405 6.076 1.00 0.00 C ATOM 1194 O ASP A 79 -2.933 -2.006 6.152 1.00 0.00 O ATOM 1195 CB ASP A 79 -4.735 -4.705 6.940 1.00 0.00 C ATOM 1196 CG ASP A 79 -5.810 -4.173 7.902 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -6.823 -3.623 7.410 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -5.537 -4.231 9.117 1.00 0.00 O ATOM 0 H ASP A 79 -2.457 -4.318 5.242 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.359 -3.786 5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.033 -5.700 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.804 -4.818 7.496 1.00 0.00 H new ATOM 1203 N LEU A 80 -5.126 -1.649 6.408 1.00 0.00 N ATOM 1204 CA LEU A 80 -4.973 -0.296 6.965 1.00 0.00 C ATOM 1205 C LEU A 80 -4.346 -0.377 8.359 1.00 0.00 C ATOM 1206 O LEU A 80 -4.242 -1.447 8.960 1.00 0.00 O ATOM 1207 CB LEU A 80 -6.324 0.406 7.100 1.00 0.00 C ATOM 1208 CG LEU A 80 -7.118 0.440 5.799 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -8.225 -0.611 5.847 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -7.718 1.826 5.624 1.00 0.00 C ATOM 0 H LEU A 80 -6.096 -1.946 6.303 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.337 0.268 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.914 -0.100 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.162 1.427 7.446 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.463 0.220 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.792 -0.585 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.783 -1.599 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.891 -0.400 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.288 1.861 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.377 2.046 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.919 2.566 5.587 1.00 0.00 H new ATOM 1222 N ASP A 81 -3.915 0.779 8.841 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.368 0.865 10.201 1.00 0.00 C ATOM 1224 C ASP A 81 -4.439 0.692 11.294 1.00 0.00 C ATOM 1225 O ASP A 81 -5.451 1.394 11.242 1.00 0.00 O ATOM 1226 CB ASP A 81 -2.621 2.180 10.358 1.00 0.00 C ATOM 1227 CG ASP A 81 -3.452 3.418 10.663 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -4.182 3.892 9.775 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -3.416 3.783 11.849 1.00 0.00 O ATOM 0 H ASP A 81 -3.929 1.660 8.327 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.677 0.033 10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.888 2.060 11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.064 2.364 9.439 1.00 0.00 H new ATOM 1234 N PRO A 82 -4.109 -0.034 12.369 1.00 0.00 N ATOM 1235 CA PRO A 82 -4.992 -0.162 13.543 1.00 0.00 C ATOM 1236 C PRO A 82 -5.092 1.122 14.388 1.00 0.00 C ATOM 1237 O PRO A 82 -6.061 1.301 15.118 1.00 0.00 O ATOM 1238 CB PRO A 82 -4.438 -1.356 14.317 1.00 0.00 C ATOM 1239 CG PRO A 82 -2.943 -1.326 14.001 1.00 0.00 C ATOM 1240 CD PRO A 82 -2.883 -0.839 12.551 1.00 0.00 C ATOM 0 HA PRO A 82 -6.028 -0.322 13.243 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.624 -1.261 15.387 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.897 -2.291 13.995 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.406 -0.654 14.671 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.492 -2.312 14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.989 -0.243 12.371 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.853 -1.676 11.854 1.00 0.00 H new ATOM 1248 N GLN A 83 -4.141 2.041 14.216 1.00 0.00 N ATOM 1249 CA GLN A 83 -4.154 3.374 14.855 1.00 0.00 C ATOM 1250 C GLN A 83 -5.156 4.369 14.232 1.00 0.00 C ATOM 1251 O GLN A 83 -5.137 5.548 14.579 1.00 0.00 O ATOM 1252 CB GLN A 83 -2.735 3.950 14.779 1.00 0.00 C ATOM 1253 CG GLN A 83 -1.848 3.561 15.961 1.00 0.00 C ATOM 1254 CD GLN A 83 -1.730 4.741 16.927 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -1.008 5.701 16.694 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -2.467 4.714 18.012 1.00 0.00 N ATOM 0 H GLN A 83 -3.326 1.886 13.623 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.485 3.236 15.884 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.264 3.611 13.856 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.796 5.037 14.725 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.270 2.698 16.476 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.860 3.269 15.606 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.067 3.911 18.201 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.440 5.496 18.666 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.019 3.891 13.323 1.00 0.00 N ATOM 1266 CA GLU A 84 -7.013 4.708 12.592 1.00 0.00 C ATOM 1267 C GLU A 84 -6.514 6.106 12.177 1.00 0.00 C ATOM 1268 O GLU A 84 -7.103 7.150 12.459 1.00 0.00 O ATOM 1269 CB GLU A 84 -8.310 4.810 13.395 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.374 3.847 12.874 1.00 0.00 C ATOM 1271 CD GLU A 84 -10.772 4.391 13.184 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -11.031 5.560 12.819 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -11.586 3.594 13.695 1.00 0.00 O ATOM 0 H GLU A 84 -6.050 2.904 13.066 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.197 4.181 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.106 4.595 14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.688 5.831 13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.258 3.712 11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.246 2.867 13.334 1.00 0.00 H new ATOM 1280 N ARG A 85 -5.341 6.077 11.568 1.00 0.00 N ATOM 1281 CA ARG A 85 -4.633 7.278 11.111 1.00 0.00 C ATOM 1282 C ARG A 85 -4.990 7.557 9.647 1.00 0.00 C ATOM 1283 O ARG A 85 -5.610 6.742 8.956 1.00 0.00 O ATOM 1284 CB ARG A 85 -3.132 7.047 11.302 1.00 0.00 C ATOM 1285 CG ARG A 85 -2.637 7.216 12.741 1.00 0.00 C ATOM 1286 CD ARG A 85 -2.382 8.684 13.097 1.00 0.00 C ATOM 1287 NE ARG A 85 -3.546 9.325 13.734 1.00 0.00 N ATOM 1288 CZ ARG A 85 -3.613 10.607 14.112 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -2.643 11.473 13.845 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -4.681 11.056 14.753 1.00 0.00 N ATOM 0 H ARG A 85 -4.840 5.211 11.371 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.928 8.154 11.688 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.887 6.040 10.964 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.587 7.740 10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.374 6.800 13.428 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.718 6.646 12.876 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.525 8.747 13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.120 9.233 12.192 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.368 8.744 13.900 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.813 11.168 13.336 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.728 12.443 14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.455 10.424 14.960 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.730 12.034 15.040 1.00 0.00 H new ATOM 1304 N LYS A 86 -4.547 8.719 9.187 1.00 0.00 N ATOM 1305 CA LYS A 86 -4.863 9.252 7.851 1.00 0.00 C ATOM 1306 C LYS A 86 -3.686 10.130 7.398 1.00 0.00 C ATOM 1307 O LYS A 86 -2.916 10.613 8.228 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.147 10.097 7.935 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.381 9.291 8.376 1.00 0.00 C ATOM 1310 CD LYS A 86 -8.623 10.151 8.625 1.00 0.00 C ATOM 1311 CE LYS A 86 -8.790 10.630 10.073 1.00 0.00 C ATOM 1312 NZ LYS A 86 -9.312 9.580 10.965 1.00 0.00 N ATOM 0 H LYS A 86 -3.947 9.335 9.735 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.019 8.442 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.988 10.917 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.343 10.544 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.611 8.549 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.140 8.745 9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.583 11.022 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.507 9.580 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.827 10.975 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.465 11.486 10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.405 9.958 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.244 9.267 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.657 8.773 10.971 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.492 10.200 6.089 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.498 11.110 5.491 1.00 0.00 C ATOM 1328 C TRP A 87 -3.218 11.996 4.458 1.00 0.00 C ATOM 1329 O TRP A 87 -4.313 12.481 4.752 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.327 10.290 4.936 1.00 0.00 C ATOM 1331 CG TRP A 87 -0.018 11.088 4.822 1.00 0.00 C ATOM 1332 CD1 TRP A 87 0.211 12.335 4.390 1.00 0.00 C ATOM 1333 CD2 TRP A 87 1.209 10.551 5.138 1.00 0.00 C ATOM 1334 NE1 TRP A 87 1.520 12.581 4.410 1.00 0.00 N ATOM 1335 CE2 TRP A 87 2.169 11.513 4.846 1.00 0.00 C ATOM 1336 CE3 TRP A 87 1.581 9.320 5.649 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 3.513 11.233 5.053 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.918 9.050 5.876 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.886 10.008 5.587 1.00 0.00 C ATOM 0 H TRP A 87 -4.007 9.639 5.410 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.056 11.784 6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.162 9.426 5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.596 9.907 3.952 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.549 13.034 4.074 1.00 0.00 H new ATOM 0 HE1 TRP A 87 1.956 13.460 4.131 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.831 8.574 5.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 4.265 11.966 4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.212 8.092 6.279 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.928 9.797 5.779 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.343 14.836 5.050 1.00 0.00 N ATOM 1438 CA PRO A 95 -7.960 13.541 5.637 1.00 0.00 C ATOM 1439 C PRO A 95 -8.283 12.398 4.676 1.00 0.00 C ATOM 1440 O PRO A 95 -9.355 12.348 4.076 1.00 0.00 O ATOM 1441 CB PRO A 95 -8.751 13.453 6.943 1.00 0.00 C ATOM 1442 CG PRO A 95 -10.014 14.268 6.670 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.542 15.378 5.727 1.00 0.00 C ATOM 0 HA PRO A 95 -6.889 13.461 5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.990 12.420 7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.185 13.863 7.780 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.791 13.658 6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.432 14.677 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.317 15.636 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.304 16.287 6.279 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.301 11.526 4.506 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.479 10.326 3.676 1.00 0.00 C ATOM 1453 C ALA A 96 -6.815 9.125 4.326 1.00 0.00 C ATOM 1454 O ALA A 96 -5.626 9.121 4.647 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.961 10.502 2.252 1.00 0.00 C ATOM 0 H ALA A 96 -6.376 11.618 4.925 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.554 10.157 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.121 9.582 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.496 11.320 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.895 10.730 2.278 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.693 8.177 4.616 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.342 6.920 5.288 1.00 0.00 C ATOM 1463 C LYS A 97 -6.136 6.267 4.607 1.00 0.00 C ATOM 1464 O LYS A 97 -6.065 6.150 3.381 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.571 6.019 5.236 1.00 0.00 C ATOM 1466 CG LYS A 97 -8.733 5.245 6.544 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.197 4.842 6.718 1.00 0.00 C ATOM 1468 CE LYS A 97 -10.898 5.797 7.687 1.00 0.00 C ATOM 1469 NZ LYS A 97 -12.315 5.977 7.341 1.00 0.00 N ATOM 0 H LYS A 97 -8.685 8.253 4.391 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.057 7.098 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.461 6.621 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.481 5.321 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.099 4.358 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.411 5.859 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.703 4.856 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.258 3.821 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.818 5.409 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.394 6.764 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.758 6.630 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.391 6.370 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.801 5.058 7.378 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.168 5.947 5.451 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.910 5.366 4.976 1.00 0.00 C ATOM 1485 C LEU A 98 -3.822 3.901 5.412 1.00 0.00 C ATOM 1486 O LEU A 98 -4.345 3.480 6.448 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.706 6.251 5.367 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.929 6.035 6.675 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.821 5.972 7.902 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -1.038 4.802 6.608 1.00 0.00 C ATOM 0 H LEU A 98 -5.222 6.076 6.461 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.882 5.350 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.983 6.175 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.063 7.281 5.380 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.298 6.917 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.208 5.818 8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.372 6.907 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.524 5.145 7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.506 4.685 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.651 3.920 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.318 4.917 5.798 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.136 3.150 4.574 1.00 0.00 N ATOM 1503 CA PHE A 99 -2.940 1.707 4.752 1.00 0.00 C ATOM 1504 C PHE A 99 -1.519 1.290 4.360 1.00 0.00 C ATOM 1505 O PHE A 99 -0.814 2.013 3.653 1.00 0.00 O ATOM 1506 CB PHE A 99 -4.000 0.958 3.938 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.801 1.074 2.436 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.198 2.216 1.750 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.220 0.009 1.757 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -4.031 2.288 0.380 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -3.044 0.085 0.391 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.452 1.223 -0.305 1.00 0.00 C ATOM 0 H PHE A 99 -2.689 3.521 3.735 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.058 1.449 5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.986 -0.095 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.986 1.344 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.636 3.045 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.908 -0.873 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.349 3.169 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.590 -0.738 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.319 1.278 -1.375 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.147 0.134 4.915 1.00 0.00 N ATOM 1523 CA GLY A 100 0.165 -0.477 4.681 1.00 0.00 C ATOM 1524 C GLY A 100 0.068 -1.987 4.461 1.00 0.00 C ATOM 1525 O GLY A 100 -0.816 -2.678 4.961 1.00 0.00 O ATOM 0 H GLY A 100 -1.747 -0.405 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.630 -0.014 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.814 -0.277 5.533 1.00 0.00 H new ATOM 1529 N PHE A 101 1.021 -2.492 3.703 1.00 0.00 N ATOM 1530 CA PHE A 101 1.141 -3.939 3.495 1.00 0.00 C ATOM 1531 C PHE A 101 2.567 -4.419 3.763 1.00 0.00 C ATOM 1532 O PHE A 101 3.532 -3.677 3.571 1.00 0.00 O ATOM 1533 CB PHE A 101 0.658 -4.322 2.093 1.00 0.00 C ATOM 1534 CG PHE A 101 1.406 -3.612 0.986 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.651 -4.081 0.585 1.00 0.00 C ATOM 1536 CD2 PHE A 101 0.833 -2.498 0.386 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.323 -3.427 -0.422 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.518 -1.842 -0.612 1.00 0.00 C ATOM 1539 CZ PHE A 101 2.776 -2.290 -1.012 1.00 0.00 C ATOM 0 H PHE A 101 1.724 -1.934 3.219 1.00 0.00 H new ATOM 0 HA PHE A 101 0.497 -4.446 4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.765 -5.399 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.405 -4.094 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.086 -4.949 1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.140 -2.150 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.281 -3.798 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.079 -0.977 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.324 -1.758 -1.776 1.00 0.00 H new ATOM 1549 N VAL A 102 2.647 -5.698 4.096 1.00 0.00 N ATOM 1550 CA VAL A 102 3.909 -6.388 4.406 1.00 0.00 C ATOM 1551 C VAL A 102 4.308 -7.180 3.149 1.00 0.00 C ATOM 1552 O VAL A 102 3.600 -8.077 2.708 1.00 0.00 O ATOM 1553 CB VAL A 102 3.746 -7.314 5.627 1.00 0.00 C ATOM 1554 CG1 VAL A 102 5.095 -7.838 6.109 1.00 0.00 C ATOM 1555 CG2 VAL A 102 3.097 -6.617 6.823 1.00 0.00 C ATOM 0 H VAL A 102 1.829 -6.304 4.162 1.00 0.00 H new ATOM 0 HA VAL A 102 4.688 -5.672 4.667 1.00 0.00 H new ATOM 0 HB VAL A 102 3.104 -8.124 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.946 -8.488 6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.574 -8.402 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.731 -6.999 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.010 -7.321 7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.713 -5.771 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.105 -6.261 6.543 1.00 0.00 H new ATOM 1565 N ALA A 103 5.377 -6.718 2.519 1.00 0.00 N ATOM 1566 CA ALA A 103 5.920 -7.341 1.299 1.00 0.00 C ATOM 1567 C ALA A 103 7.215 -8.088 1.634 1.00 0.00 C ATOM 1568 O ALA A 103 8.124 -7.515 2.235 1.00 0.00 O ATOM 1569 CB ALA A 103 6.186 -6.264 0.245 1.00 0.00 C ATOM 0 H ALA A 103 5.901 -5.900 2.831 1.00 0.00 H new ATOM 0 HA ALA A 103 5.196 -8.052 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.588 -6.728 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.254 -5.752 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.906 -5.544 0.634 1.00 0.00 H new ATOM 1575 N ARG A 104 7.147 -9.404 1.457 1.00 0.00 N ATOM 1576 CA ARG A 104 8.281 -10.339 1.655 1.00 0.00 C ATOM 1577 C ARG A 104 9.301 -10.302 0.497 1.00 0.00 C ATOM 1578 O ARG A 104 10.260 -11.071 0.440 1.00 0.00 O ATOM 1579 CB ARG A 104 7.677 -11.735 1.860 1.00 0.00 C ATOM 1580 CG ARG A 104 8.608 -12.758 2.519 1.00 0.00 C ATOM 1581 CD ARG A 104 9.061 -13.802 1.497 1.00 0.00 C ATOM 1582 NE ARG A 104 9.431 -15.043 2.194 1.00 0.00 N ATOM 1583 CZ ARG A 104 9.479 -16.261 1.646 1.00 0.00 C ATOM 1584 NH1 ARG A 104 9.250 -16.468 0.358 1.00 0.00 N ATOM 1585 NH2 ARG A 104 9.763 -17.307 2.401 1.00 0.00 N ATOM 0 H ARG A 104 6.289 -9.873 1.166 1.00 0.00 H new ATOM 0 HA ARG A 104 8.861 -10.042 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.779 -11.639 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 104 7.364 -12.124 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.476 -12.251 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.093 -13.248 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 104 8.261 -13.998 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.911 -13.425 0.928 1.00 0.00 H new ATOM 0 HE ARG A 104 9.672 -14.968 3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 104 9.028 -15.682 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 104 9.296 -17.413 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.944 -17.183 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.801 -18.239 1.988 1.00 0.00 H new ATOM 1684 N ASP A 111 13.259 -10.789 6.505 1.00 0.00 N ATOM 1685 CA ASP A 111 13.136 -9.329 6.448 1.00 0.00 C ATOM 1686 C ASP A 111 12.047 -8.947 5.442 1.00 0.00 C ATOM 1687 O ASP A 111 12.057 -9.364 4.287 1.00 0.00 O ATOM 1688 CB ASP A 111 14.505 -8.750 6.086 1.00 0.00 C ATOM 1689 CG ASP A 111 14.628 -7.264 6.385 1.00 0.00 C ATOM 1690 OD1 ASP A 111 14.711 -6.941 7.588 1.00 0.00 O ATOM 1691 OD2 ASP A 111 14.607 -6.478 5.417 1.00 0.00 O ATOM 0 HA ASP A 111 12.835 -8.915 7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.277 -9.289 6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.693 -8.917 5.025 1.00 0.00 H new ATOM 1696 N ASN A 112 11.065 -8.254 5.997 1.00 0.00 N ATOM 1697 CA ASN A 112 9.919 -7.709 5.261 1.00 0.00 C ATOM 1698 C ASN A 112 9.894 -6.184 5.353 1.00 0.00 C ATOM 1699 O ASN A 112 10.448 -5.567 6.269 1.00 0.00 O ATOM 1700 CB ASN A 112 8.629 -8.283 5.847 1.00 0.00 C ATOM 1701 CG ASN A 112 8.247 -9.612 5.199 1.00 0.00 C ATOM 1702 OD1 ASN A 112 8.881 -10.644 5.348 1.00 0.00 O ATOM 1703 ND2 ASN A 112 7.178 -9.593 4.438 1.00 0.00 N ATOM 0 H ASN A 112 11.036 -8.046 6.995 1.00 0.00 H new ATOM 0 HA ASN A 112 10.007 -7.988 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.751 -8.425 6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.819 -7.567 5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 112 6.872 -10.444 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.653 -8.727 4.318 1.00 0.00 H new ATOM 1710 N VAL A 113 9.270 -5.614 4.334 1.00 0.00 N ATOM 1711 CA VAL A 113 9.085 -4.160 4.255 1.00 0.00 C ATOM 1712 C VAL A 113 7.587 -3.817 4.188 1.00 0.00 C ATOM 1713 O VAL A 113 6.766 -4.577 3.670 1.00 0.00 O ATOM 1714 CB VAL A 113 9.965 -3.641 3.102 1.00 0.00 C ATOM 1715 CG1 VAL A 113 9.366 -3.791 1.704 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.462 -2.222 3.362 1.00 0.00 C ATOM 0 H VAL A 113 8.880 -6.131 3.546 1.00 0.00 H new ATOM 0 HA VAL A 113 9.421 -3.637 5.151 1.00 0.00 H new ATOM 0 HB VAL A 113 10.826 -4.309 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.063 -3.396 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.179 -4.845 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.428 -3.239 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.079 -1.893 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.609 -1.552 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.054 -2.206 4.277 1.00 0.00 H new ATOM 1726 N CYS A 114 7.262 -2.716 4.844 1.00 0.00 N ATOM 1727 CA CYS A 114 5.884 -2.210 4.928 1.00 0.00 C ATOM 1728 C CYS A 114 5.789 -0.826 4.290 1.00 0.00 C ATOM 1729 O CYS A 114 6.585 0.066 4.566 1.00 0.00 O ATOM 1730 CB CYS A 114 5.369 -2.230 6.374 1.00 0.00 C ATOM 1731 SG CYS A 114 6.662 -2.353 7.666 1.00 0.00 S ATOM 0 H CYS A 114 7.942 -2.139 5.338 1.00 0.00 H new ATOM 0 HA CYS A 114 5.231 -2.875 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.790 -1.323 6.548 1.00 0.00 H new ATOM 0 HB3 CYS A 114 4.685 -3.071 6.487 1.00 0.00 H new ATOM 0 HG CYS A 114 7.628 -1.527 7.393 1.00 0.00 H new ATOM 1737 N HIS A 115 4.944 -0.776 3.273 1.00 0.00 N ATOM 1738 CA HIS A 115 4.782 0.427 2.437 1.00 0.00 C ATOM 1739 C HIS A 115 3.520 1.154 2.876 1.00 0.00 C ATOM 1740 O HIS A 115 2.507 0.523 3.173 1.00 0.00 O ATOM 1741 CB HIS A 115 4.593 0.065 0.968 1.00 0.00 C ATOM 1742 CG HIS A 115 5.647 -0.915 0.470 1.00 0.00 C ATOM 1743 ND1 HIS A 115 5.653 -2.214 0.724 1.00 0.00 N ATOM 1744 CD2 HIS A 115 6.651 -0.630 -0.339 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.674 -2.744 0.063 1.00 0.00 C ATOM 1746 NE2 HIS A 115 7.299 -1.764 -0.573 1.00 0.00 N ATOM 0 H HIS A 115 4.349 -1.557 2.996 1.00 0.00 H new ATOM 0 HA HIS A 115 5.677 1.038 2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.603 -0.369 0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 115 4.631 0.972 0.365 1.00 0.00 H new ATOM 0 HD1 HIS A 115 4.994 -2.716 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 115 6.898 0.344 -0.736 1.00 0.00 H new ATOM 0 HE1 HIS A 115 6.947 -3.789 0.046 1.00 0.00 H new ATOM 1754 N LEU A 116 3.631 2.471 2.866 1.00 0.00 N ATOM 1755 CA LEU A 116 2.529 3.346 3.280 1.00 0.00 C ATOM 1756 C LEU A 116 1.878 4.040 2.093 1.00 0.00 C ATOM 1757 O LEU A 116 2.544 4.419 1.129 1.00 0.00 O ATOM 1758 CB LEU A 116 3.022 4.372 4.309 1.00 0.00 C ATOM 1759 CG LEU A 116 3.248 3.826 5.724 1.00 0.00 C ATOM 1760 CD1 LEU A 116 1.990 3.136 6.222 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.436 2.872 5.820 1.00 0.00 C ATOM 0 H LEU A 116 4.474 2.967 2.576 1.00 0.00 H new ATOM 0 HA LEU A 116 1.766 2.721 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.957 4.802 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.298 5.185 4.363 1.00 0.00 H new ATOM 0 HG LEU A 116 3.482 4.684 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.160 2.751 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.167 3.850 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.739 2.311 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.540 2.523 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.272 2.019 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.346 3.392 5.520 1.00 0.00 H new ATOM 1773 N PHE A 117 0.554 4.056 2.170 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.304 4.637 1.129 1.00 0.00 C ATOM 1775 C PHE A 117 -1.545 5.296 1.727 1.00 0.00 C ATOM 1776 O PHE A 117 -2.234 4.695 2.546 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.737 3.535 0.156 1.00 0.00 C ATOM 1778 CG PHE A 117 0.439 3.005 -0.657 1.00 0.00 C ATOM 1779 CD1 PHE A 117 0.921 3.772 -1.708 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.059 1.798 -0.347 1.00 0.00 C ATOM 1781 CE1 PHE A 117 1.986 3.340 -2.466 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.142 1.379 -1.103 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.614 2.139 -2.162 1.00 0.00 C ATOM 0 H PHE A 117 0.036 3.666 2.957 1.00 0.00 H new ATOM 0 HA PHE A 117 0.269 5.403 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.192 2.716 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.499 3.924 -0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.455 4.720 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.700 1.195 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.333 3.935 -3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.627 0.444 -0.863 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.459 1.801 -2.743 1.00 0.00 H new ATOM 1793 N ALA A 118 -1.857 6.484 1.232 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.080 7.208 1.625 1.00 0.00 C ATOM 1795 C ALA A 118 -4.081 7.179 0.467 1.00 0.00 C ATOM 1796 O ALA A 118 -3.721 7.399 -0.684 1.00 0.00 O ATOM 1797 CB ALA A 118 -2.737 8.651 1.998 1.00 0.00 C ATOM 0 H ALA A 118 -1.282 6.980 0.551 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.526 6.724 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.646 9.178 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.035 8.654 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.285 9.151 1.141 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.296 6.725 0.748 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.380 6.669 -0.256 1.00 0.00 C ATOM 1805 C GLU A 119 -6.450 7.980 -1.063 1.00 0.00 C ATOM 1806 O GLU A 119 -6.570 9.059 -0.495 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.711 6.426 0.462 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.899 6.444 -0.503 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.969 7.428 -0.032 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -9.825 8.623 -0.361 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -10.916 6.939 0.620 1.00 0.00 O ATOM 0 H GLU A 119 -5.569 6.384 1.670 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.178 5.855 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.676 5.465 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.854 7.189 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.558 6.721 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -9.327 5.444 -0.579 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.362 7.839 -2.381 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.471 8.997 -3.284 1.00 0.00 C ATOM 1820 C LEU A 120 -7.428 8.718 -4.453 1.00 0.00 C ATOM 1821 O LEU A 120 -7.157 8.946 -5.628 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.063 9.412 -3.718 1.00 0.00 C ATOM 1823 CG LEU A 120 -5.023 10.927 -3.914 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -3.730 11.487 -3.338 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -5.143 11.300 -5.391 1.00 0.00 C ATOM 0 H LEU A 120 -6.217 6.946 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.920 9.841 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.334 9.111 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.791 8.906 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.874 11.361 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.706 12.567 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.678 11.260 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.879 11.035 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.111 12.384 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -4.316 10.857 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.087 10.925 -5.785 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.555 8.122 -4.092 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.607 7.792 -5.061 1.00 0.00 C ATOM 1839 C ASP A 121 -10.927 8.481 -4.696 1.00 0.00 C ATOM 1840 O ASP A 121 -11.414 8.253 -3.585 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.830 6.285 -5.079 1.00 0.00 C ATOM 1842 CG ASP A 121 -8.694 5.491 -5.715 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -8.493 5.697 -6.929 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -8.186 4.569 -5.042 1.00 0.00 O ATOM 0 H ASP A 121 -8.771 7.853 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.285 8.141 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.972 5.938 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.753 6.072 -5.618 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.589 9.099 -5.685 1.00 0.00 N ATOM 1850 CA PRO A 122 -12.927 9.694 -5.498 1.00 0.00 C ATOM 1851 C PRO A 122 -14.059 8.659 -5.345 1.00 0.00 C ATOM 1852 O PRO A 122 -15.192 9.021 -5.049 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.107 10.601 -6.717 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.307 9.900 -7.814 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.109 9.309 -7.068 1.00 0.00 C ATOM 0 HA PRO A 122 -12.989 10.243 -4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.158 10.701 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.730 11.606 -6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -12.895 9.125 -8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -11.991 10.599 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -10.785 8.372 -7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.255 9.986 -7.092 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.707 7.372 -5.428 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.622 6.212 -5.340 1.00 0.00 C ATOM 1865 C ASP A 123 -13.863 4.890 -5.093 1.00 0.00 C ATOM 1866 O ASP A 123 -14.000 3.925 -5.841 1.00 0.00 O ATOM 1867 CB ASP A 123 -15.482 6.082 -6.611 1.00 0.00 C ATOM 1868 CG ASP A 123 -16.580 7.139 -6.733 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -17.585 6.990 -6.005 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -16.381 8.055 -7.560 1.00 0.00 O ATOM 0 H ASP A 123 -12.736 7.090 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.272 6.397 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.833 6.146 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -15.941 5.093 -6.627 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.962 4.906 -4.108 1.00 0.00 N ATOM 1876 CA GLN A 124 -12.207 3.701 -3.694 1.00 0.00 C ATOM 1877 C GLN A 124 -11.432 3.984 -2.394 1.00 0.00 C ATOM 1878 O GLN A 124 -10.313 4.502 -2.437 1.00 0.00 O ATOM 1879 CB GLN A 124 -11.233 3.216 -4.779 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.274 1.704 -4.977 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.888 1.374 -6.337 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -13.089 1.228 -6.501 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -11.056 1.242 -7.346 1.00 0.00 N ATOM 0 H GLN A 124 -12.730 5.743 -3.573 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.937 2.908 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.472 3.708 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.220 3.515 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.267 1.293 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.858 1.240 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.054 1.366 -7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -11.412 1.016 -8.275 1.00 0.00 H new ATOM 1892 N PRO A 125 -12.091 3.801 -1.243 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.438 3.963 0.065 1.00 0.00 C ATOM 1894 C PRO A 125 -10.394 2.870 0.280 1.00 0.00 C ATOM 1895 O PRO A 125 -10.524 1.754 -0.221 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.565 3.934 1.096 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.665 3.122 0.416 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.518 3.460 -1.071 1.00 0.00 C ATOM 0 HA PRO A 125 -10.886 4.900 0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.242 3.468 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.906 4.939 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.541 2.054 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.651 3.395 0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.801 2.615 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.160 4.294 -1.352 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.418 3.200 1.116 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.324 2.278 1.455 1.00 0.00 C ATOM 1908 C ALA A 126 -8.847 0.953 2.044 1.00 0.00 C ATOM 1909 O ALA A 126 -8.417 -0.104 1.606 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.372 3.011 2.395 1.00 0.00 C ATOM 0 H ALA A 126 -9.356 4.107 1.579 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.785 1.987 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.548 2.351 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.979 3.897 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.908 3.309 3.296 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.960 1.031 2.780 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.740 -0.138 3.242 1.00 0.00 C ATOM 1918 C ALA A 127 -11.274 -1.018 2.098 1.00 0.00 C ATOM 1919 O ALA A 127 -10.894 -2.178 2.027 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.890 0.324 4.140 1.00 0.00 C ATOM 0 H ALA A 127 -10.357 1.921 3.081 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.051 -0.765 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.460 -0.542 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.487 0.851 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.543 0.993 3.579 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.957 -0.432 1.111 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.407 -1.162 -0.098 1.00 0.00 C ATOM 1928 C ALA A 128 -11.238 -1.764 -0.902 1.00 0.00 C ATOM 1929 O ALA A 128 -11.330 -2.894 -1.375 1.00 0.00 O ATOM 1930 CB ALA A 128 -13.248 -0.261 -1.003 1.00 0.00 C ATOM 0 H ALA A 128 -12.217 0.554 1.118 1.00 0.00 H new ATOM 0 HA ALA A 128 -13.020 -1.990 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.565 -0.822 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -14.126 0.085 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.654 0.598 -1.315 1.00 0.00 H new ATOM 1936 N ILE A 129 -10.088 -1.093 -0.837 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.816 -1.571 -1.415 1.00 0.00 C ATOM 1938 C ILE A 129 -8.220 -2.729 -0.598 1.00 0.00 C ATOM 1939 O ILE A 129 -7.794 -3.709 -1.189 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.883 -0.363 -1.672 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -8.203 0.282 -3.033 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.375 -0.599 -1.479 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.986 -0.612 -4.268 1.00 0.00 C ATOM 0 H ILE A 129 -10.005 -0.187 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.983 -2.024 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 129 -8.113 0.336 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -9.243 0.609 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.589 1.176 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.833 0.323 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -6.183 -0.906 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -6.039 -1.381 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -8.242 -0.056 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.941 -0.919 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.621 -1.495 -4.194 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.314 -2.649 0.724 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.902 -3.681 1.698 1.00 0.00 C ATOM 1957 C VAL A 130 -8.830 -4.910 1.691 1.00 0.00 C ATOM 1958 O VAL A 130 -8.390 -6.035 1.915 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.721 -2.991 3.064 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.846 -3.904 4.291 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.334 -2.343 3.072 1.00 0.00 C ATOM 0 H VAL A 130 -8.699 -1.822 1.181 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.943 -4.118 1.419 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.538 -2.275 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.702 -3.317 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.837 -4.358 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.089 -4.686 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.171 -1.844 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.573 -3.110 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.269 -1.613 2.265 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.089 -4.667 1.361 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.119 -5.708 1.251 1.00 0.00 C ATOM 1973 C ASN A 131 -10.994 -6.461 -0.078 1.00 0.00 C ATOM 1974 O ASN A 131 -11.121 -7.678 -0.111 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.500 -5.071 1.391 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.429 -6.030 2.133 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.166 -6.468 3.245 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.551 -6.354 1.536 1.00 0.00 N ATOM 0 H ASN A 131 -10.437 -3.730 1.158 1.00 0.00 H new ATOM 0 HA ASN A 131 -10.980 -6.434 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.424 -4.128 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.908 -4.841 0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.214 -6.976 1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.761 -5.984 0.609 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.602 -5.730 -1.119 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.308 -6.280 -2.449 1.00 0.00 C ATOM 1987 C PHE A 132 -8.910 -6.920 -2.517 1.00 0.00 C ATOM 1988 O PHE A 132 -8.786 -8.041 -2.986 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.520 -5.146 -3.461 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.757 -5.315 -4.765 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -8.423 -4.928 -4.778 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -10.314 -5.915 -5.890 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -7.671 -5.148 -5.896 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -9.548 -6.114 -7.026 1.00 0.00 C ATOM 1995 CZ PHE A 132 -8.209 -5.737 -7.039 1.00 0.00 C ATOM 0 H PHE A 132 -10.476 -4.719 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.981 -7.104 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.584 -5.070 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.223 -4.204 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.984 -4.457 -3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.348 -6.227 -5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -6.631 -4.858 -5.895 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.991 -6.562 -7.903 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.599 -5.897 -7.916 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.888 -6.261 -1.975 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.494 -6.755 -2.022 1.00 0.00 C ATOM 2007 C VAL A 133 -6.348 -8.082 -1.254 1.00 0.00 C ATOM 2008 O VAL A 133 -5.579 -8.947 -1.660 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.509 -5.658 -1.565 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.499 -5.402 -0.054 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.101 -5.904 -2.110 1.00 0.00 C ATOM 0 H VAL A 133 -7.992 -5.370 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.233 -6.984 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.888 -4.734 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.779 -4.617 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.492 -5.090 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.219 -6.317 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.435 -5.112 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.735 -6.866 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.128 -5.909 -3.200 1.00 0.00 H new ATOM 2021 N SER A 134 -7.189 -8.222 -0.230 1.00 0.00 N ATOM 2022 CA SER A 134 -7.294 -9.439 0.591 1.00 0.00 C ATOM 2023 C SER A 134 -8.264 -10.465 -0.017 1.00 0.00 C ATOM 2024 O SER A 134 -7.897 -11.627 -0.110 1.00 0.00 O ATOM 2025 CB SER A 134 -7.697 -9.071 2.019 1.00 0.00 C ATOM 2026 OG SER A 134 -7.358 -10.142 2.897 1.00 0.00 O ATOM 0 H SER A 134 -7.829 -7.484 0.061 1.00 0.00 H new ATOM 0 HA SER A 134 -6.314 -9.915 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.189 -8.158 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 134 -8.768 -8.872 2.067 1.00 0.00 H new ATOM 0 HG SER A 134 -7.614 -9.907 3.813 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.347 -10.014 -0.659 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.277 -10.897 -1.405 1.00 0.00 C ATOM 2034 C ARG A 135 -9.684 -11.478 -2.705 1.00 0.00 C ATOM 2035 O ARG A 135 -10.059 -12.565 -3.144 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.577 -10.137 -1.690 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.611 -10.931 -2.496 1.00 0.00 C ATOM 2038 CD ARG A 135 -13.953 -10.210 -2.550 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.570 -10.275 -1.215 1.00 0.00 N ATOM 2040 CZ ARG A 135 -15.815 -9.912 -0.911 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -16.646 -9.460 -1.840 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -16.252 -10.032 0.333 1.00 0.00 N ATOM 0 H ARG A 135 -9.611 -9.029 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.474 -11.760 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -12.025 -9.839 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.337 -9.222 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.241 -11.089 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.744 -11.916 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.814 -9.172 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -14.603 -10.674 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.992 -10.630 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -16.336 -9.385 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -17.595 -9.187 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.636 -10.402 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.205 -9.755 0.568 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.842 -10.688 -3.361 1.00 0.00 N ATOM 2057 CA VAL A 136 -8.140 -11.061 -4.608 1.00 0.00 C ATOM 2058 C VAL A 136 -7.010 -12.074 -4.350 1.00 0.00 C ATOM 2059 O VAL A 136 -6.674 -12.866 -5.228 1.00 0.00 O ATOM 2060 CB VAL A 136 -7.706 -9.776 -5.347 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.701 -9.973 -6.489 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -8.960 -9.158 -5.965 1.00 0.00 C ATOM 0 H VAL A 136 -8.615 -9.746 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.817 -11.595 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.209 -9.157 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.466 -9.008 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.789 -10.423 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.133 -10.629 -7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.692 -8.245 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.409 -9.866 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.675 -8.922 -5.177 1.00 0.00 H new ATOM 2072 N MET A 137 -6.475 -12.036 -3.133 1.00 0.00 N ATOM 2073 CA MET A 137 -5.403 -12.951 -2.696 1.00 0.00 C ATOM 2074 C MET A 137 -5.911 -14.123 -1.832 1.00 0.00 C ATOM 2075 O MET A 137 -5.189 -15.093 -1.612 1.00 0.00 O ATOM 2076 CB MET A 137 -4.298 -12.146 -1.995 1.00 0.00 C ATOM 2077 CG MET A 137 -4.601 -11.664 -0.576 1.00 0.00 C ATOM 2078 SD MET A 137 -3.640 -12.615 0.652 1.00 0.00 S ATOM 2079 CE MET A 137 -4.585 -12.246 2.112 1.00 0.00 C ATOM 0 H MET A 137 -6.767 -11.373 -2.415 1.00 0.00 H new ATOM 0 HA MET A 137 -4.987 -13.425 -3.585 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.398 -12.760 -1.962 1.00 0.00 H new ATOM 0 HB3 MET A 137 -4.068 -11.275 -2.609 1.00 0.00 H new ATOM 0 HG2 MET A 137 -4.363 -10.604 -0.489 1.00 0.00 H new ATOM 0 HG3 MET A 137 -5.666 -11.769 -0.371 1.00 0.00 H new ATOM 0 HE1 MET A 137 -4.139 -12.748 2.971 1.00 0.00 H new ATOM 0 HE2 MET A 137 -4.586 -11.169 2.282 1.00 0.00 H new ATOM 0 HE3 MET A 137 -5.610 -12.594 1.980 1.00 0.00 H new