USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ -104:sc= 0.0581 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.204 USER MOD Single : A 9 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.4!) USER MOD Single : A 10 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.592 USER MOD Single : A 25 HIS : no HE2:sc= -6.58! C(o=-6.6!,f=-3.3!) USER MOD Single : A 27 THR OG1 : rot 130:sc= -2.11! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.16 K(o=-4.2,f=-7.6!) USER MOD Single : A 33 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.081 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.416 -13.683 18.164 1.00 0.00 N ATOM 2 CA GLU A 1 5.659 -14.157 17.581 1.00 0.00 C ATOM 3 C GLU A 1 6.082 -13.250 16.423 1.00 0.00 C ATOM 4 O GLU A 1 5.409 -12.265 16.124 1.00 0.00 O ATOM 5 CB GLU A 1 5.530 -15.610 17.120 1.00 0.00 C ATOM 6 CG GLU A 1 6.258 -16.556 18.078 1.00 0.00 C ATOM 7 CD GLU A 1 5.374 -17.749 18.447 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.192 -18.615 17.564 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.900 -17.768 19.604 1.00 0.00 O ATOM 0 H1 GLU A 1 4.616 -13.204 19.065 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.959 -13.015 17.511 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.782 -14.490 18.334 1.00 0.00 H new ATOM 0 HA GLU A 1 6.434 -14.121 18.347 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.477 -15.885 17.062 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.942 -15.715 16.116 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.179 -16.911 17.615 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.543 -16.016 18.981 1.00 0.00 H new ATOM 16 N GLU A 2 7.194 -13.616 15.803 1.00 0.00 N ATOM 17 CA GLU A 2 7.714 -12.848 14.685 1.00 0.00 C ATOM 18 C GLU A 2 6.590 -12.508 13.705 1.00 0.00 C ATOM 19 O GLU A 2 6.151 -13.364 12.937 1.00 0.00 O ATOM 20 CB GLU A 2 8.846 -13.600 13.982 1.00 0.00 C ATOM 21 CG GLU A 2 10.137 -13.539 14.801 1.00 0.00 C ATOM 22 CD GLU A 2 11.149 -14.575 14.306 1.00 0.00 C ATOM 23 OE1 GLU A 2 11.091 -15.714 14.816 1.00 0.00 O ATOM 24 OE2 GLU A 2 11.958 -14.203 13.429 1.00 0.00 O ATOM 0 H GLU A 2 7.749 -14.434 16.054 1.00 0.00 H new ATOM 0 HA GLU A 2 8.126 -11.916 15.071 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.557 -14.640 13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.016 -13.169 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.569 -12.541 14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.914 -13.717 15.853 1.00 0.00 H new ATOM 31 N TYR A 3 6.155 -11.258 13.762 1.00 0.00 N ATOM 32 CA TYR A 3 5.089 -10.796 12.889 1.00 0.00 C ATOM 33 C TYR A 3 4.834 -9.299 13.081 1.00 0.00 C ATOM 34 O TYR A 3 5.489 -8.654 13.898 1.00 0.00 O ATOM 35 CB TYR A 3 3.837 -11.571 13.304 1.00 0.00 C ATOM 36 CG TYR A 3 2.704 -11.518 12.278 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.883 -12.064 11.023 1.00 0.00 C ATOM 38 CD2 TYR A 3 1.502 -10.924 12.607 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.816 -12.014 10.057 1.00 0.00 C ATOM 40 CE2 TYR A 3 0.436 -10.874 11.641 1.00 0.00 C ATOM 41 CZ TYR A 3 0.645 -11.422 10.414 1.00 0.00 C ATOM 42 OH TYR A 3 -0.363 -11.374 9.501 1.00 0.00 O ATOM 0 H TYR A 3 6.521 -10.551 14.399 1.00 0.00 H new ATOM 0 HA TYR A 3 5.353 -10.957 11.844 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.108 -12.612 13.478 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.474 -11.174 14.252 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.823 -12.529 10.765 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.362 -10.497 13.589 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.943 -12.437 9.071 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.509 -10.412 11.885 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.139 -10.924 9.894 1.00 0.00 H new ATOM 52 N VAL A 4 3.881 -8.791 12.314 1.00 0.00 N ATOM 53 CA VAL A 4 3.531 -7.383 12.389 1.00 0.00 C ATOM 54 C VAL A 4 2.056 -7.207 12.022 1.00 0.00 C ATOM 55 O VAL A 4 1.261 -8.134 12.171 1.00 0.00 O ATOM 56 CB VAL A 4 4.470 -6.562 11.502 1.00 0.00 C ATOM 57 CG1 VAL A 4 3.972 -6.535 10.055 1.00 0.00 C ATOM 58 CG2 VAL A 4 4.642 -5.144 12.050 1.00 0.00 C ATOM 0 H VAL A 4 3.340 -9.329 11.637 1.00 0.00 H new ATOM 0 HA VAL A 4 3.659 -7.012 13.406 1.00 0.00 H new ATOM 0 HB VAL A 4 5.447 -7.045 11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.657 -5.945 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.926 -7.553 9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.979 -6.088 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.314 -4.582 11.401 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.672 -4.648 12.085 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.063 -5.191 13.054 1.00 0.00 H new ATOM 68 N GLY A 5 1.735 -6.012 11.548 1.00 0.00 N ATOM 69 CA GLY A 5 0.370 -5.704 11.158 1.00 0.00 C ATOM 70 C GLY A 5 -0.176 -4.522 11.962 1.00 0.00 C ATOM 71 O GLY A 5 -1.315 -4.103 11.761 1.00 0.00 O ATOM 0 H GLY A 5 2.397 -5.246 11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.336 -5.471 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.263 -6.578 11.314 1.00 0.00 H new ATOM 75 N LEU A 6 0.662 -4.017 12.855 1.00 0.00 N ATOM 76 CA LEU A 6 0.278 -2.892 13.690 1.00 0.00 C ATOM 77 C LEU A 6 0.995 -1.632 13.201 1.00 0.00 C ATOM 78 O LEU A 6 0.502 -0.520 13.387 1.00 0.00 O ATOM 79 CB LEU A 6 0.528 -3.209 15.165 1.00 0.00 C ATOM 80 CG LEU A 6 1.693 -4.157 15.459 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.210 -3.964 16.886 1.00 0.00 C ATOM 82 CD2 LEU A 6 1.300 -5.609 15.183 1.00 0.00 C ATOM 0 H LEU A 6 1.606 -4.367 13.019 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.792 -2.703 13.606 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.706 -2.272 15.692 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.381 -3.642 15.582 1.00 0.00 H new ATOM 0 HG LEU A 6 2.513 -3.911 14.784 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.037 -4.650 17.069 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.554 -2.938 17.013 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.407 -4.167 17.595 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.145 -6.262 15.400 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.457 -5.884 15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.017 -5.717 14.136 1.00 0.00 H new ATOM 94 N SER A 7 2.149 -1.847 12.586 1.00 0.00 N ATOM 95 CA SER A 7 2.939 -0.742 12.069 1.00 0.00 C ATOM 96 C SER A 7 2.874 -0.722 10.541 1.00 0.00 C ATOM 97 O SER A 7 2.157 -1.518 9.936 1.00 0.00 O ATOM 98 CB SER A 7 4.392 -0.838 12.538 1.00 0.00 C ATOM 99 OG SER A 7 5.174 -1.673 11.687 1.00 0.00 O ATOM 0 H SER A 7 2.556 -2.770 12.434 1.00 0.00 H new ATOM 0 HA SER A 7 2.521 0.188 12.456 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.830 0.160 12.569 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.420 -1.229 13.555 1.00 0.00 H new ATOM 0 HG SER A 7 6.095 -1.707 12.019 1.00 0.00 H new ATOM 105 N ALA A 8 3.633 0.195 9.960 1.00 0.00 N ATOM 106 CA ALA A 8 3.671 0.329 8.514 1.00 0.00 C ATOM 107 C ALA A 8 4.900 -0.402 7.970 1.00 0.00 C ATOM 108 O ALA A 8 5.380 -0.091 6.881 1.00 0.00 O ATOM 109 CB ALA A 8 3.661 1.812 8.138 1.00 0.00 C ATOM 0 H ALA A 8 4.227 0.853 10.465 1.00 0.00 H new ATOM 0 HA ALA A 8 2.790 -0.128 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.690 1.912 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.754 2.279 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.533 2.303 8.571 1.00 0.00 H new ATOM 115 N ASN A 9 5.375 -1.358 8.754 1.00 0.00 N ATOM 116 CA ASN A 9 6.539 -2.136 8.365 1.00 0.00 C ATOM 117 C ASN A 9 6.395 -2.567 6.904 1.00 0.00 C ATOM 118 O ASN A 9 7.327 -2.423 6.115 1.00 0.00 O ATOM 119 CB ASN A 9 6.670 -3.398 9.220 1.00 0.00 C ATOM 120 CG ASN A 9 8.074 -3.995 9.106 1.00 0.00 C ATOM 121 OD1 ASN A 9 9.042 -3.316 8.806 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.130 -5.299 9.362 1.00 0.00 N ATOM 0 H ASN A 9 4.975 -1.612 9.657 1.00 0.00 H new ATOM 0 HA ASN A 9 7.422 -1.513 8.505 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.456 -3.159 10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.931 -4.134 8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.022 -5.791 9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.281 -5.807 9.608 1.00 0.00 H new ATOM 129 N GLN A 10 5.218 -3.087 6.588 1.00 0.00 N ATOM 130 CA GLN A 10 4.939 -3.540 5.236 1.00 0.00 C ATOM 131 C GLN A 10 4.840 -2.345 4.285 1.00 0.00 C ATOM 132 O GLN A 10 5.161 -2.459 3.104 1.00 0.00 O ATOM 133 CB GLN A 10 3.662 -4.382 5.192 1.00 0.00 C ATOM 134 CG GLN A 10 2.511 -3.670 5.906 1.00 0.00 C ATOM 135 CD GLN A 10 1.983 -4.512 7.070 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.295 -5.503 6.891 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.343 -4.063 8.269 1.00 0.00 N ATOM 0 H GLN A 10 4.447 -3.205 7.245 1.00 0.00 H new ATOM 0 HA GLN A 10 5.764 -4.173 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.386 -4.577 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.843 -5.349 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.851 -2.703 6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.705 -3.475 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.921 -3.226 8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.041 -4.555 9.110 1.00 0.00 H new ATOM 146 N CYS A 11 4.395 -1.226 4.837 1.00 0.00 N ATOM 147 CA CYS A 11 4.250 -0.011 4.054 1.00 0.00 C ATOM 148 C CYS A 11 5.283 1.005 4.546 1.00 0.00 C ATOM 149 O CYS A 11 4.963 2.176 4.741 1.00 0.00 O ATOM 150 CB CYS A 11 2.826 0.543 4.126 1.00 0.00 C ATOM 151 SG CYS A 11 1.529 -0.713 4.426 1.00 0.00 S ATOM 0 H CYS A 11 4.130 -1.135 5.818 1.00 0.00 H new ATOM 0 HA CYS A 11 4.431 -0.231 3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.781 1.289 4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.604 1.058 3.192 1.00 0.00 H new ATOM 156 N ALA A 12 6.501 0.519 4.733 1.00 0.00 N ATOM 157 CA ALA A 12 7.583 1.369 5.200 1.00 0.00 C ATOM 158 C ALA A 12 8.562 1.617 4.051 1.00 0.00 C ATOM 159 O ALA A 12 9.776 1.610 4.252 1.00 0.00 O ATOM 160 CB ALA A 12 8.257 0.721 6.411 1.00 0.00 C ATOM 0 H ALA A 12 6.763 -0.453 4.570 1.00 0.00 H new ATOM 0 HA ALA A 12 7.199 2.337 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.068 1.359 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.526 0.594 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.657 -0.252 6.127 1.00 0.00 H new ATOM 166 N VAL A 13 7.999 1.830 2.871 1.00 0.00 N ATOM 167 CA VAL A 13 8.807 2.080 1.689 1.00 0.00 C ATOM 168 C VAL A 13 9.210 3.556 1.655 1.00 0.00 C ATOM 169 O VAL A 13 8.450 4.420 2.088 1.00 0.00 O ATOM 170 CB VAL A 13 8.052 1.637 0.435 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.008 1.038 -0.598 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.936 0.650 0.787 1.00 0.00 C ATOM 0 H VAL A 13 6.992 1.835 2.708 1.00 0.00 H new ATOM 0 HA VAL A 13 9.725 1.493 1.723 1.00 0.00 H new ATOM 0 HB VAL A 13 7.591 2.520 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.445 0.731 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.750 1.784 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.511 0.171 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.415 0.351 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.366 -0.230 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.231 1.126 1.469 1.00 0.00 H new ATOM 182 N PRO A 14 10.436 3.805 1.122 1.00 0.00 N ATOM 183 CA PRO A 14 10.949 5.161 1.025 1.00 0.00 C ATOM 184 C PRO A 14 10.263 5.927 -0.108 1.00 0.00 C ATOM 185 O PRO A 14 10.565 7.095 -0.344 1.00 0.00 O ATOM 186 CB PRO A 14 12.446 5.001 0.813 1.00 0.00 C ATOM 187 CG PRO A 14 12.649 3.573 0.336 1.00 0.00 C ATOM 188 CD PRO A 14 11.364 2.805 0.600 1.00 0.00 C ATOM 0 HA PRO A 14 10.748 5.752 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.815 5.715 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.993 5.186 1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.892 3.557 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.485 3.110 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.981 2.348 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.524 2.000 1.317 1.00 0.00 H new ATOM 196 N ALA A 15 9.352 5.237 -0.779 1.00 0.00 N ATOM 197 CA ALA A 15 8.621 5.838 -1.881 1.00 0.00 C ATOM 198 C ALA A 15 9.393 5.613 -3.182 1.00 0.00 C ATOM 199 O ALA A 15 8.843 5.773 -4.271 1.00 0.00 O ATOM 200 CB ALA A 15 8.387 7.321 -1.590 1.00 0.00 C ATOM 0 H ALA A 15 9.104 4.268 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 15 7.643 5.370 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.838 7.772 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.809 7.425 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.347 7.825 -1.474 1.00 0.00 H new ATOM 206 N LYS A 16 10.657 5.246 -3.027 1.00 0.00 N ATOM 207 CA LYS A 16 11.511 4.998 -4.176 1.00 0.00 C ATOM 208 C LYS A 16 11.540 3.497 -4.471 1.00 0.00 C ATOM 209 O LYS A 16 12.305 3.042 -5.319 1.00 0.00 O ATOM 210 CB LYS A 16 12.897 5.608 -3.956 1.00 0.00 C ATOM 211 CG LYS A 16 13.572 5.005 -2.723 1.00 0.00 C ATOM 212 CD LYS A 16 13.829 3.509 -2.916 1.00 0.00 C ATOM 213 CE LYS A 16 15.022 3.045 -2.077 1.00 0.00 C ATOM 214 NZ LYS A 16 15.883 2.132 -2.861 1.00 0.00 N ATOM 0 H LYS A 16 11.110 5.114 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 16 11.109 5.490 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.518 5.436 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.808 6.688 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.515 5.518 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.942 5.160 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.940 2.944 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.018 3.302 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.601 3.908 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.668 2.539 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.688 1.827 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.332 1.300 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.236 2.627 -3.705 1.00 0.00 H new ATOM 228 N ASP A 17 10.696 2.770 -3.753 1.00 0.00 N ATOM 229 CA ASP A 17 10.616 1.329 -3.926 1.00 0.00 C ATOM 230 C ASP A 17 9.146 0.907 -3.972 1.00 0.00 C ATOM 231 O ASP A 17 8.820 -0.251 -3.713 1.00 0.00 O ATOM 232 CB ASP A 17 11.282 0.596 -2.760 1.00 0.00 C ATOM 233 CG ASP A 17 10.972 -0.900 -2.675 1.00 0.00 C ATOM 234 OD1 ASP A 17 10.988 -1.545 -3.746 1.00 0.00 O ATOM 235 OD2 ASP A 17 10.725 -1.365 -1.541 1.00 0.00 O ATOM 0 H ASP A 17 10.062 3.151 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 17 11.128 1.071 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.362 0.724 -2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.972 1.069 -1.828 1.00 0.00 H new ATOM 240 N ARG A 18 8.297 1.869 -4.303 1.00 0.00 N ATOM 241 CA ARG A 18 6.869 1.611 -4.386 1.00 0.00 C ATOM 242 C ARG A 18 6.546 0.820 -5.655 1.00 0.00 C ATOM 243 O ARG A 18 6.738 1.314 -6.765 1.00 0.00 O ATOM 244 CB ARG A 18 6.073 2.918 -4.391 1.00 0.00 C ATOM 245 CG ARG A 18 6.547 3.853 -3.276 1.00 0.00 C ATOM 246 CD ARG A 18 6.292 3.238 -1.899 1.00 0.00 C ATOM 247 NE ARG A 18 6.347 4.288 -0.858 1.00 0.00 N ATOM 248 CZ ARG A 18 5.491 5.316 -0.782 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.509 5.438 -1.685 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.616 6.221 0.198 1.00 0.00 N ATOM 0 H ARG A 18 8.570 2.828 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 18 6.585 1.029 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.184 3.412 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.012 2.702 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.611 4.057 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.028 4.809 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.317 2.750 -1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.036 2.469 -1.691 1.00 0.00 H new ATOM 0 HE ARG A 18 7.083 4.225 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.413 4.748 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.857 6.221 -1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.363 6.127 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.964 7.004 0.256 1.00 0.00 H new ATOM 264 N VAL A 19 6.059 -0.395 -5.448 1.00 0.00 N ATOM 265 CA VAL A 19 5.707 -1.259 -6.562 1.00 0.00 C ATOM 266 C VAL A 19 4.447 -0.720 -7.242 1.00 0.00 C ATOM 267 O VAL A 19 4.083 -1.168 -8.328 1.00 0.00 O ATOM 268 CB VAL A 19 5.553 -2.702 -6.076 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.522 -3.677 -7.255 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.663 -3.069 -5.090 1.00 0.00 C ATOM 0 H VAL A 19 5.900 -0.801 -4.526 1.00 0.00 H new ATOM 0 HA VAL A 19 6.502 -1.264 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 19 4.600 -2.780 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.412 -4.695 -6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.681 -3.436 -7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.451 -3.596 -7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.530 -4.099 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.632 -2.966 -5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.619 -2.403 -4.228 1.00 0.00 H new ATOM 280 N ASP A 20 3.815 0.234 -6.574 1.00 0.00 N ATOM 281 CA ASP A 20 2.603 0.839 -7.100 1.00 0.00 C ATOM 282 C ASP A 20 1.572 -0.255 -7.380 1.00 0.00 C ATOM 283 O ASP A 20 1.735 -1.044 -8.309 1.00 0.00 O ATOM 284 CB ASP A 20 2.880 1.574 -8.413 1.00 0.00 C ATOM 285 CG ASP A 20 1.703 2.382 -8.963 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.614 2.282 -8.357 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.919 3.083 -9.975 1.00 0.00 O ATOM 0 H ASP A 20 4.120 0.603 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 20 2.232 1.548 -6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.725 2.247 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.182 0.844 -9.164 1.00 0.00 H new ATOM 292 N CYS A 21 0.532 -0.268 -6.558 1.00 0.00 N ATOM 293 CA CYS A 21 -0.526 -1.253 -6.705 1.00 0.00 C ATOM 294 C CYS A 21 -1.393 -0.852 -7.900 1.00 0.00 C ATOM 295 O CYS A 21 -2.243 -1.624 -8.342 1.00 0.00 O ATOM 296 CB CYS A 21 -1.350 -1.393 -5.423 1.00 0.00 C ATOM 297 SG CYS A 21 -1.590 -3.115 -4.850 1.00 0.00 S ATOM 0 H CYS A 21 0.400 0.388 -5.788 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.090 -2.235 -6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.862 -0.826 -4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.328 -0.939 -5.585 1.00 0.00 H new ATOM 302 N GLY A 22 -1.149 0.355 -8.389 1.00 0.00 N ATOM 303 CA GLY A 22 -1.897 0.869 -9.524 1.00 0.00 C ATOM 304 C GLY A 22 -3.403 0.785 -9.270 1.00 0.00 C ATOM 305 O GLY A 22 -4.089 -0.054 -9.853 1.00 0.00 O ATOM 0 H GLY A 22 -0.443 0.992 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.613 1.904 -9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.643 0.301 -10.419 1.00 0.00 H new ATOM 309 N TYR A 23 -3.875 1.666 -8.401 1.00 0.00 N ATOM 310 CA TYR A 23 -5.288 1.703 -8.064 1.00 0.00 C ATOM 311 C TYR A 23 -5.789 3.144 -7.958 1.00 0.00 C ATOM 312 O TYR A 23 -5.055 4.031 -7.523 1.00 0.00 O ATOM 313 CB TYR A 23 -5.412 1.031 -6.695 1.00 0.00 C ATOM 314 CG TYR A 23 -6.699 0.224 -6.512 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.127 -0.627 -7.510 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.431 0.348 -5.348 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.339 -1.386 -7.337 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.643 -0.411 -5.176 1.00 0.00 C ATOM 319 CZ TYR A 23 -9.037 -1.241 -6.179 1.00 0.00 C ATOM 320 OH TYR A 23 -10.181 -1.958 -6.017 1.00 0.00 O ATOM 0 H TYR A 23 -3.304 2.360 -7.920 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.879 1.203 -8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.557 0.371 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.362 1.796 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.554 -0.724 -8.420 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.095 1.014 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.686 -2.056 -8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.226 -0.323 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.112 -2.800 -6.513 1.00 0.00 H new ATOM 330 N PRO A 24 -7.069 3.340 -8.375 1.00 0.00 N ATOM 331 CA PRO A 24 -7.677 4.658 -8.332 1.00 0.00 C ATOM 332 C PRO A 24 -8.048 5.044 -6.898 1.00 0.00 C ATOM 333 O PRO A 24 -7.305 5.765 -6.233 1.00 0.00 O ATOM 334 CB PRO A 24 -8.883 4.566 -9.253 1.00 0.00 C ATOM 335 CG PRO A 24 -9.173 3.082 -9.412 1.00 0.00 C ATOM 336 CD PRO A 24 -7.968 2.314 -8.896 1.00 0.00 C ATOM 0 HA PRO A 24 -6.999 5.445 -8.663 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.740 5.088 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.674 5.029 -10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.069 2.806 -8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.361 2.840 -10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.253 1.606 -8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.494 1.740 -9.692 1.00 0.00 H new ATOM 344 N HIS A 25 -9.198 4.548 -6.464 1.00 0.00 N ATOM 345 CA HIS A 25 -9.676 4.832 -5.122 1.00 0.00 C ATOM 346 C HIS A 25 -8.710 4.237 -4.096 1.00 0.00 C ATOM 347 O HIS A 25 -8.781 3.049 -3.788 1.00 0.00 O ATOM 348 CB HIS A 25 -11.112 4.337 -4.941 1.00 0.00 C ATOM 349 CG HIS A 25 -11.223 3.040 -4.176 1.00 0.00 C ATOM 350 ND1 HIS A 25 -11.874 2.941 -2.959 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.759 1.791 -4.467 1.00 0.00 C ATOM 352 CE1 HIS A 25 -11.799 1.684 -2.545 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.107 0.973 -3.481 1.00 0.00 N ATOM 0 H HIS A 25 -9.812 3.951 -7.018 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.702 5.910 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.687 5.104 -4.421 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.567 4.208 -5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.334 3.706 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.203 1.514 -5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.213 1.292 -1.628 1.00 0.00 H new ATOM 362 N VAL A 26 -7.829 5.091 -3.596 1.00 0.00 N ATOM 363 CA VAL A 26 -6.850 4.664 -2.611 1.00 0.00 C ATOM 364 C VAL A 26 -6.927 5.583 -1.390 1.00 0.00 C ATOM 365 O VAL A 26 -6.942 6.806 -1.529 1.00 0.00 O ATOM 366 CB VAL A 26 -5.456 4.624 -3.242 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.355 3.503 -4.277 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.096 5.976 -3.861 1.00 0.00 C ATOM 0 H VAL A 26 -7.773 6.076 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.067 3.652 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.736 4.415 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.355 3.497 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.548 2.544 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.090 3.668 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.101 5.921 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.822 6.227 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.108 6.745 -3.088 1.00 0.00 H new ATOM 378 N THR A 27 -6.974 4.960 -0.222 1.00 0.00 N ATOM 379 CA THR A 27 -7.049 5.706 1.022 1.00 0.00 C ATOM 380 C THR A 27 -6.185 5.042 2.096 1.00 0.00 C ATOM 381 O THR A 27 -5.691 3.932 1.902 1.00 0.00 O ATOM 382 CB THR A 27 -8.523 5.824 1.415 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.822 4.568 2.019 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.450 5.882 0.199 1.00 0.00 C ATOM 0 H THR A 27 -6.962 3.946 -0.111 1.00 0.00 H new ATOM 0 HA THR A 27 -6.648 6.713 0.904 1.00 0.00 H new ATOM 0 HB THR A 27 -8.666 6.717 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.259 4.717 2.884 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.484 5.965 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.195 6.748 -0.412 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.332 4.974 -0.392 1.00 0.00 H new ATOM 392 N PRO A 28 -6.025 5.768 3.235 1.00 0.00 N ATOM 393 CA PRO A 28 -5.229 5.260 4.340 1.00 0.00 C ATOM 394 C PRO A 28 -5.982 4.167 5.101 1.00 0.00 C ATOM 395 O PRO A 28 -5.914 4.100 6.327 1.00 0.00 O ATOM 396 CB PRO A 28 -4.924 6.478 5.197 1.00 0.00 C ATOM 397 CG PRO A 28 -5.941 7.535 4.797 1.00 0.00 C ATOM 398 CD PRO A 28 -6.595 7.085 3.500 1.00 0.00 C ATOM 0 HA PRO A 28 -4.307 4.781 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.005 6.240 6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.907 6.831 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.690 7.660 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.455 8.502 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.679 7.034 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.382 7.779 2.687 1.00 0.00 H new ATOM 406 N LYS A 29 -6.683 3.338 4.342 1.00 0.00 N ATOM 407 CA LYS A 29 -7.447 2.251 4.930 1.00 0.00 C ATOM 408 C LYS A 29 -8.103 1.434 3.815 1.00 0.00 C ATOM 409 O LYS A 29 -7.979 0.210 3.782 1.00 0.00 O ATOM 410 CB LYS A 29 -8.439 2.791 5.962 1.00 0.00 C ATOM 411 CG LYS A 29 -8.743 1.741 7.033 1.00 0.00 C ATOM 412 CD LYS A 29 -10.215 1.325 6.992 1.00 0.00 C ATOM 413 CE LYS A 29 -10.784 1.183 8.405 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.257 1.321 8.386 1.00 0.00 N ATOM 0 H LYS A 29 -6.738 3.397 3.325 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.790 1.575 5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.030 3.686 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.363 3.086 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.110 0.867 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.502 2.141 8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.791 2.066 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.315 0.379 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.509 0.213 8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.350 1.942 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.627 1.222 9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.513 2.257 8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.667 0.581 7.781 1.00 0.00 H new ATOM 428 N GLU A 30 -8.788 2.143 2.930 1.00 0.00 N ATOM 429 CA GLU A 30 -9.464 1.498 1.817 1.00 0.00 C ATOM 430 C GLU A 30 -8.443 0.854 0.877 1.00 0.00 C ATOM 431 O GLU A 30 -8.653 -0.258 0.394 1.00 0.00 O ATOM 432 CB GLU A 30 -10.351 2.492 1.064 1.00 0.00 C ATOM 433 CG GLU A 30 -11.686 1.851 0.677 1.00 0.00 C ATOM 434 CD GLU A 30 -12.579 1.660 1.904 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.006 1.473 2.999 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.815 1.706 1.719 1.00 0.00 O ATOM 0 H GLU A 30 -8.890 3.157 2.961 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.109 0.714 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.531 3.368 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.836 2.838 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.196 2.478 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.506 0.887 0.200 1.00 0.00 H new ATOM 443 N CYS A 31 -7.359 1.581 0.644 1.00 0.00 N ATOM 444 CA CYS A 31 -6.305 1.094 -0.229 1.00 0.00 C ATOM 445 C CYS A 31 -5.644 -0.111 0.441 1.00 0.00 C ATOM 446 O CYS A 31 -5.188 -1.031 -0.237 1.00 0.00 O ATOM 447 CB CYS A 31 -5.291 2.192 -0.558 1.00 0.00 C ATOM 448 SG CYS A 31 -3.619 1.588 -0.989 1.00 0.00 S ATOM 0 H CYS A 31 -7.189 2.503 1.045 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.733 0.788 -1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.674 2.783 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.211 2.861 0.299 1.00 0.00 H new ATOM 453 N ASN A 32 -5.612 -0.068 1.765 1.00 0.00 N ATOM 454 CA ASN A 32 -5.014 -1.145 2.535 1.00 0.00 C ATOM 455 C ASN A 32 -6.082 -2.193 2.855 1.00 0.00 C ATOM 456 O ASN A 32 -5.810 -3.171 3.549 1.00 0.00 O ATOM 457 CB ASN A 32 -4.447 -0.628 3.859 1.00 0.00 C ATOM 458 CG ASN A 32 -5.298 -1.099 5.040 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.335 -0.537 5.354 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.804 -2.157 5.675 1.00 0.00 N ATOM 0 H ASN A 32 -5.991 0.696 2.324 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.208 -1.575 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.422 -0.979 3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.411 0.461 3.843 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.298 -2.547 6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.931 -2.579 5.360 1.00 0.00 H new ATOM 467 N ASN A 33 -7.276 -1.951 2.334 1.00 0.00 N ATOM 468 CA ASN A 33 -8.387 -2.861 2.555 1.00 0.00 C ATOM 469 C ASN A 33 -8.585 -3.730 1.311 1.00 0.00 C ATOM 470 O ASN A 33 -8.935 -4.905 1.420 1.00 0.00 O ATOM 471 CB ASN A 33 -9.687 -2.093 2.806 1.00 0.00 C ATOM 472 CG ASN A 33 -10.801 -3.036 3.265 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.563 -4.095 3.821 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.027 -2.593 3.001 1.00 0.00 N ATOM 0 H ASN A 33 -7.498 -1.138 1.760 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.154 -3.471 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.520 -1.326 3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.993 -1.580 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.839 -3.150 3.267 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.155 -1.696 2.532 1.00 0.00 H new ATOM 481 N ARG A 34 -8.351 -3.120 0.159 1.00 0.00 N ATOM 482 CA ARG A 34 -8.499 -3.824 -1.104 1.00 0.00 C ATOM 483 C ARG A 34 -7.480 -4.961 -1.200 1.00 0.00 C ATOM 484 O ARG A 34 -7.729 -5.968 -1.861 1.00 0.00 O ATOM 485 CB ARG A 34 -8.307 -2.875 -2.289 1.00 0.00 C ATOM 486 CG ARG A 34 -9.027 -3.399 -3.533 1.00 0.00 C ATOM 487 CD ARG A 34 -8.372 -4.684 -4.045 1.00 0.00 C ATOM 488 NE ARG A 34 -8.392 -4.707 -5.525 1.00 0.00 N ATOM 489 CZ ARG A 34 -7.556 -4.001 -6.298 1.00 0.00 C ATOM 490 NH1 ARG A 34 -6.629 -3.212 -5.738 1.00 0.00 N ATOM 491 NH2 ARG A 34 -7.647 -4.085 -7.633 1.00 0.00 N ATOM 0 H ARG A 34 -8.060 -2.146 0.073 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.509 -4.232 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.688 -1.886 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.244 -2.762 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.074 -3.589 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.008 -2.640 -4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.345 -4.746 -3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.900 -5.553 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.085 -5.297 -5.985 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.559 -3.149 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.993 -2.675 -6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.352 -4.686 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.011 -3.548 -8.222 1.00 0.00 H new ATOM 505 N GLY A 35 -6.354 -4.763 -0.530 1.00 0.00 N ATOM 506 CA GLY A 35 -5.297 -5.760 -0.532 1.00 0.00 C ATOM 507 C GLY A 35 -3.981 -5.162 -1.034 1.00 0.00 C ATOM 508 O GLY A 35 -3.538 -5.468 -2.140 1.00 0.00 O ATOM 0 H GLY A 35 -6.151 -3.927 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.161 -6.153 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.585 -6.599 -1.166 1.00 0.00 H new ATOM 512 N CYS A 36 -3.393 -4.320 -0.197 1.00 0.00 N ATOM 513 CA CYS A 36 -2.137 -3.677 -0.542 1.00 0.00 C ATOM 514 C CYS A 36 -1.780 -2.690 0.572 1.00 0.00 C ATOM 515 O CYS A 36 -2.236 -2.836 1.705 1.00 0.00 O ATOM 516 CB CYS A 36 -2.208 -2.993 -1.909 1.00 0.00 C ATOM 517 SG CYS A 36 -0.874 -3.462 -3.071 1.00 0.00 S ATOM 0 H CYS A 36 -3.763 -4.068 0.719 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.352 -4.429 -0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.169 -3.227 -2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.179 -1.913 -1.762 1.00 0.00 H new ATOM 522 N CYS A 37 -0.970 -1.706 0.210 1.00 0.00 N ATOM 523 CA CYS A 37 -0.547 -0.695 1.164 1.00 0.00 C ATOM 524 C CYS A 37 -0.902 0.680 0.596 1.00 0.00 C ATOM 525 O CYS A 37 -0.990 0.850 -0.619 1.00 0.00 O ATOM 526 CB CYS A 37 0.944 -0.811 1.489 1.00 0.00 C ATOM 527 SG CYS A 37 1.343 -1.942 2.871 1.00 0.00 S ATOM 0 H CYS A 37 -0.595 -1.587 -0.731 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.070 -0.843 2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.470 -1.150 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.328 0.181 1.728 1.00 0.00 H new ATOM 532 N PHE A 38 -1.097 1.627 1.502 1.00 0.00 N ATOM 533 CA PHE A 38 -1.440 2.982 1.106 1.00 0.00 C ATOM 534 C PHE A 38 -0.407 3.984 1.625 1.00 0.00 C ATOM 535 O PHE A 38 0.510 3.612 2.356 1.00 0.00 O ATOM 536 CB PHE A 38 -2.800 3.300 1.732 1.00 0.00 C ATOM 537 CG PHE A 38 -3.233 4.759 1.571 1.00 0.00 C ATOM 538 CD1 PHE A 38 -2.889 5.678 2.513 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.962 5.136 0.487 1.00 0.00 C ATOM 540 CE1 PHE A 38 -3.291 7.032 2.364 1.00 0.00 C ATOM 541 CE2 PHE A 38 -4.364 6.490 0.338 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.020 7.409 1.280 1.00 0.00 C ATOM 0 H PHE A 38 -1.024 1.482 2.509 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.464 3.057 0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.555 2.656 1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.765 3.057 2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.310 5.378 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.235 4.406 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.018 7.762 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.943 6.790 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.326 8.439 1.167 1.00 0.00 H new ATOM 552 N ASP A 39 -0.589 5.234 1.227 1.00 0.00 N ATOM 553 CA ASP A 39 0.316 6.292 1.643 1.00 0.00 C ATOM 554 C ASP A 39 -0.175 7.628 1.081 1.00 0.00 C ATOM 555 O ASP A 39 -0.718 7.679 -0.022 1.00 0.00 O ATOM 556 CB ASP A 39 1.730 6.047 1.113 1.00 0.00 C ATOM 557 CG ASP A 39 2.671 7.250 1.200 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.052 7.592 2.340 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.988 7.801 0.124 1.00 0.00 O ATOM 0 H ASP A 39 -1.350 5.538 0.620 1.00 0.00 H new ATOM 0 HA ASP A 39 0.337 6.309 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.171 5.219 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.662 5.733 0.072 1.00 0.00 H new ATOM 564 N SER A 40 0.035 8.676 1.863 1.00 0.00 N ATOM 565 CA SER A 40 -0.379 10.008 1.457 1.00 0.00 C ATOM 566 C SER A 40 0.735 11.015 1.752 1.00 0.00 C ATOM 567 O SER A 40 0.509 12.224 1.715 1.00 0.00 O ATOM 568 CB SER A 40 -1.671 10.423 2.165 1.00 0.00 C ATOM 569 OG SER A 40 -1.500 10.515 3.577 1.00 0.00 O ATOM 0 H SER A 40 0.487 8.630 2.776 1.00 0.00 H new ATOM 0 HA SER A 40 -0.573 9.994 0.384 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.004 11.385 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.455 9.700 1.941 1.00 0.00 H new ATOM 0 HG SER A 40 -2.346 10.784 3.992 1.00 0.00 H new ATOM 575 N ARG A 41 1.912 10.479 2.038 1.00 0.00 N ATOM 576 CA ARG A 41 3.062 11.316 2.339 1.00 0.00 C ATOM 577 C ARG A 41 3.414 12.188 1.132 1.00 0.00 C ATOM 578 O ARG A 41 3.631 13.390 1.272 1.00 0.00 O ATOM 579 CB ARG A 41 4.277 10.467 2.718 1.00 0.00 C ATOM 580 CG ARG A 41 5.091 11.139 3.825 1.00 0.00 C ATOM 581 CD ARG A 41 6.322 11.843 3.251 1.00 0.00 C ATOM 582 NE ARG A 41 7.540 11.391 3.959 1.00 0.00 N ATOM 583 CZ ARG A 41 8.124 10.200 3.764 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.604 9.335 2.883 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.227 9.874 4.451 1.00 0.00 N ATOM 0 H ARG A 41 2.095 9.476 2.068 1.00 0.00 H new ATOM 0 HA ARG A 41 2.798 11.950 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.948 9.482 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.906 10.314 1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.468 11.861 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.402 10.393 4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.410 11.629 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.213 12.923 3.351 1.00 0.00 H new ATOM 0 HE ARG A 41 7.962 12.025 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.764 9.582 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.048 8.429 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.623 10.532 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.671 8.968 4.303 1.00 0.00 H new ATOM 599 N ILE A 42 3.460 11.547 -0.027 1.00 0.00 N ATOM 600 CA ILE A 42 3.783 12.249 -1.258 1.00 0.00 C ATOM 601 C ILE A 42 2.979 11.644 -2.411 1.00 0.00 C ATOM 602 O ILE A 42 2.905 10.424 -2.548 1.00 0.00 O ATOM 603 CB ILE A 42 5.294 12.248 -1.495 1.00 0.00 C ATOM 604 CG1 ILE A 42 5.967 11.100 -0.740 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.906 13.604 -1.140 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.437 9.746 -1.215 1.00 0.00 C ATOM 0 H ILE A 42 3.279 10.550 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 42 3.496 13.298 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 42 5.472 12.083 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.046 11.145 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.788 11.209 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.981 13.576 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.456 14.380 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.718 13.824 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.932 8.947 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.362 9.695 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.639 9.629 -2.280 1.00 0.00 H new ATOM 618 N PRO A 43 2.381 12.549 -3.232 1.00 0.00 N ATOM 619 CA PRO A 43 1.586 12.118 -4.368 1.00 0.00 C ATOM 620 C PRO A 43 2.479 11.623 -5.507 1.00 0.00 C ATOM 621 O PRO A 43 2.135 10.668 -6.201 1.00 0.00 O ATOM 622 CB PRO A 43 0.754 13.331 -4.750 1.00 0.00 C ATOM 623 CG PRO A 43 1.447 14.527 -4.117 1.00 0.00 C ATOM 624 CD PRO A 43 2.447 14.002 -3.100 1.00 0.00 C ATOM 0 HA PRO A 43 0.944 11.269 -4.133 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.697 13.440 -5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.269 13.234 -4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.953 15.122 -4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.719 15.179 -3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.451 14.373 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.189 14.320 -2.090 1.00 0.00 H new ATOM 632 N GLY A 44 3.610 12.295 -5.663 1.00 0.00 N ATOM 633 CA GLY A 44 4.556 11.935 -6.706 1.00 0.00 C ATOM 634 C GLY A 44 4.649 10.416 -6.863 1.00 0.00 C ATOM 635 O GLY A 44 4.638 9.902 -7.980 1.00 0.00 O ATOM 0 H GLY A 44 3.893 13.086 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.249 12.383 -7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.539 12.340 -6.466 1.00 0.00 H new ATOM 639 N VAL A 45 4.738 9.741 -5.726 1.00 0.00 N ATOM 640 CA VAL A 45 4.833 8.291 -5.723 1.00 0.00 C ATOM 641 C VAL A 45 3.425 7.692 -5.726 1.00 0.00 C ATOM 642 O VAL A 45 2.442 8.408 -5.538 1.00 0.00 O ATOM 643 CB VAL A 45 5.679 7.824 -4.536 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.759 8.853 -4.195 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.800 7.528 -3.320 1.00 0.00 C ATOM 0 H VAL A 45 4.746 10.171 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 45 5.338 7.940 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 45 6.177 6.898 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.346 8.497 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.412 8.994 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.289 9.802 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.426 7.198 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.262 8.431 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.085 6.744 -3.570 1.00 0.00 H new ATOM 655 N PRO A 46 3.371 6.351 -5.946 1.00 0.00 N ATOM 656 CA PRO A 46 2.099 5.649 -5.975 1.00 0.00 C ATOM 657 C PRO A 46 1.536 5.474 -4.563 1.00 0.00 C ATOM 658 O PRO A 46 1.815 4.477 -3.899 1.00 0.00 O ATOM 659 CB PRO A 46 2.397 4.326 -6.664 1.00 0.00 C ATOM 660 CG PRO A 46 3.903 4.141 -6.577 1.00 0.00 C ATOM 661 CD PRO A 46 4.514 5.472 -6.172 1.00 0.00 C ATOM 0 HA PRO A 46 1.327 6.199 -6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.874 3.504 -6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.065 4.343 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.151 3.370 -5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.303 3.814 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.120 5.372 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.166 5.863 -6.954 1.00 0.00 H new ATOM 669 N TRP A 47 0.754 6.459 -4.147 1.00 0.00 N ATOM 670 CA TRP A 47 0.150 6.427 -2.826 1.00 0.00 C ATOM 671 C TRP A 47 -0.066 4.962 -2.440 1.00 0.00 C ATOM 672 O TRP A 47 0.423 4.511 -1.406 1.00 0.00 O ATOM 673 CB TRP A 47 -1.140 7.250 -2.793 1.00 0.00 C ATOM 674 CG TRP A 47 -0.932 8.717 -2.411 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.170 9.463 -2.569 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.902 9.591 -1.798 1.00 0.00 C ATOM 677 NE1 TRP A 47 -0.018 10.748 -2.104 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.318 10.829 -1.620 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.230 9.345 -1.406 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.987 11.917 -1.047 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.885 10.442 -0.834 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.311 11.695 -0.648 1.00 0.00 C ATOM 0 H TRP A 47 0.525 7.284 -4.701 1.00 0.00 H new ATOM 0 HA TRP A 47 0.809 6.888 -2.090 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.613 7.204 -3.774 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.831 6.795 -2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.090 9.103 -3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.671 11.500 -2.114 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.707 8.385 -1.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.508 12.876 -0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.908 10.306 -0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.883 12.493 -0.198 1.00 0.00 H new ATOM 693 N CYS A 48 -0.799 4.261 -3.292 1.00 0.00 N ATOM 694 CA CYS A 48 -1.085 2.856 -3.053 1.00 0.00 C ATOM 695 C CYS A 48 0.017 2.023 -3.711 1.00 0.00 C ATOM 696 O CYS A 48 0.189 2.065 -4.928 1.00 0.00 O ATOM 697 CB CYS A 48 -2.475 2.468 -3.562 1.00 0.00 C ATOM 698 SG CYS A 48 -3.228 1.031 -2.715 1.00 0.00 S ATOM 0 H CYS A 48 -1.204 4.639 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.095 2.661 -1.981 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.139 3.325 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.409 2.250 -4.628 1.00 0.00 H new ATOM 703 N PHE A 49 0.734 1.285 -2.876 1.00 0.00 N ATOM 704 CA PHE A 49 1.815 0.443 -3.361 1.00 0.00 C ATOM 705 C PHE A 49 1.839 -0.897 -2.623 1.00 0.00 C ATOM 706 O PHE A 49 1.193 -1.051 -1.588 1.00 0.00 O ATOM 707 CB PHE A 49 3.122 1.189 -3.084 1.00 0.00 C ATOM 708 CG PHE A 49 3.222 1.764 -1.669 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.404 0.932 -0.609 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.129 3.106 -1.473 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.497 1.466 0.704 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.222 3.640 -0.160 1.00 0.00 C ATOM 713 CZ PHE A 49 3.404 2.808 0.901 1.00 0.00 C ATOM 0 H PHE A 49 0.588 1.253 -1.867 1.00 0.00 H new ATOM 0 HA PHE A 49 1.681 0.240 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.958 0.510 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.224 2.001 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.478 -0.134 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.984 3.766 -2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.642 0.806 1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.148 4.706 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.475 3.214 1.899 1.00 0.00 H new ATOM 723 N LYS A 50 2.591 -1.832 -3.185 1.00 0.00 N ATOM 724 CA LYS A 50 2.708 -3.154 -2.593 1.00 0.00 C ATOM 725 C LYS A 50 3.501 -3.055 -1.288 1.00 0.00 C ATOM 726 O LYS A 50 4.160 -2.049 -1.032 1.00 0.00 O ATOM 727 CB LYS A 50 3.302 -4.141 -3.600 1.00 0.00 C ATOM 728 CG LYS A 50 2.432 -4.234 -4.855 1.00 0.00 C ATOM 729 CD LYS A 50 2.620 -5.582 -5.554 1.00 0.00 C ATOM 730 CE LYS A 50 2.786 -5.398 -7.064 1.00 0.00 C ATOM 731 NZ LYS A 50 1.841 -6.269 -7.799 1.00 0.00 N ATOM 0 H LYS A 50 3.125 -1.700 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 50 1.723 -3.547 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.309 -3.825 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.391 -5.126 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.384 -4.103 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.688 -3.426 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.496 -6.088 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.761 -6.222 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.612 -4.356 -7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.809 -5.635 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.967 -6.132 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.026 -7.264 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.866 -6.024 -7.534 1.00 0.00 H new ATOM 745 N PRO A 51 3.408 -4.142 -0.476 1.00 0.00 N ATOM 746 CA PRO A 51 4.109 -4.188 0.796 1.00 0.00 C ATOM 747 C PRO A 51 5.606 -4.426 0.589 1.00 0.00 C ATOM 748 O PRO A 51 6.001 -5.399 -0.051 1.00 0.00 O ATOM 749 CB PRO A 51 3.432 -5.302 1.578 1.00 0.00 C ATOM 750 CG PRO A 51 2.694 -6.144 0.550 1.00 0.00 C ATOM 751 CD PRO A 51 2.638 -5.353 -0.747 1.00 0.00 C ATOM 0 HA PRO A 51 4.053 -3.246 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.165 -5.900 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.742 -4.896 2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.206 -7.094 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.688 -6.377 0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.067 -5.918 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.610 -5.116 -1.022 1.00 0.00 H new ATOM 759 N LEU A 52 6.399 -3.521 1.144 1.00 0.00 N ATOM 760 CA LEU A 52 7.844 -3.621 1.029 1.00 0.00 C ATOM 761 C LEU A 52 8.249 -5.096 1.005 1.00 0.00 C ATOM 762 O LEU A 52 7.723 -5.900 1.774 1.00 0.00 O ATOM 763 CB LEU A 52 8.526 -2.814 2.135 1.00 0.00 C ATOM 764 CG LEU A 52 10.046 -2.964 2.235 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.633 -1.952 3.220 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.432 -4.401 2.592 1.00 0.00 C ATOM 0 H LEU A 52 6.068 -2.715 1.675 1.00 0.00 H new ATOM 0 HA LEU A 52 8.183 -3.182 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.294 -1.760 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.089 -3.103 3.091 1.00 0.00 H new ATOM 0 HG LEU A 52 10.476 -2.748 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.714 -2.080 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.403 -0.941 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.201 -2.113 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.517 -4.481 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.990 -4.669 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.064 -5.079 1.822 1.00 0.00 H new ATOM 778 N GLN A 53 9.179 -5.407 0.115 1.00 0.00 N ATOM 779 CA GLN A 53 9.661 -6.772 -0.019 1.00 0.00 C ATOM 780 C GLN A 53 10.365 -7.215 1.265 1.00 0.00 C ATOM 781 O GLN A 53 11.593 -7.209 1.338 1.00 0.00 O ATOM 782 CB GLN A 53 10.588 -6.910 -1.228 1.00 0.00 C ATOM 783 CG GLN A 53 9.848 -7.521 -2.420 1.00 0.00 C ATOM 784 CD GLN A 53 9.546 -6.460 -3.480 1.00 0.00 C ATOM 785 OE1 GLN A 53 9.874 -6.601 -4.647 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.904 -5.394 -3.012 1.00 0.00 N ATOM 0 H GLN A 53 9.612 -4.737 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 53 8.804 -7.425 -0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.981 -5.931 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.442 -7.535 -0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.451 -8.316 -2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.918 -7.976 -2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.659 -5.340 -2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.656 -4.631 -3.642 1.00 0.00 H new ATOM 795 N GLU A 54 9.557 -7.587 2.247 1.00 0.00 N ATOM 796 CA GLU A 54 10.087 -8.032 3.524 1.00 0.00 C ATOM 797 C GLU A 54 10.800 -9.376 3.364 1.00 0.00 C ATOM 798 O GLU A 54 10.418 -10.365 3.988 1.00 0.00 O ATOM 799 CB GLU A 54 8.979 -8.122 4.576 1.00 0.00 C ATOM 800 CG GLU A 54 7.788 -8.925 4.051 1.00 0.00 C ATOM 801 CD GLU A 54 7.184 -9.795 5.155 1.00 0.00 C ATOM 802 OE1 GLU A 54 7.983 -10.380 5.918 1.00 0.00 O ATOM 803 OE2 GLU A 54 5.936 -9.856 5.211 1.00 0.00 O ATOM 0 H GLU A 54 8.539 -7.589 2.184 1.00 0.00 H new ATOM 0 HA GLU A 54 10.813 -7.296 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.368 -8.591 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.653 -7.119 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.029 -8.245 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.107 -9.555 3.220 1.00 0.00 H new ATOM 810 N ALA A 55 11.825 -9.369 2.524 1.00 0.00 N ATOM 811 CA ALA A 55 12.595 -10.576 2.273 1.00 0.00 C ATOM 812 C ALA A 55 14.084 -10.271 2.454 1.00 0.00 C ATOM 813 O ALA A 55 14.711 -10.762 3.392 1.00 0.00 O ATOM 814 CB ALA A 55 12.275 -11.105 0.874 1.00 0.00 C ATOM 0 H ALA A 55 12.140 -8.547 2.009 1.00 0.00 H new ATOM 0 HA ALA A 55 12.328 -11.357 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 55 12.853 -12.010 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.211 -11.333 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.533 -10.350 0.132 1.00 0.00 H new ATOM 820 N GLU A 56 14.606 -9.464 1.542 1.00 0.00 N ATOM 821 CA GLU A 56 16.009 -9.089 1.590 1.00 0.00 C ATOM 822 C GLU A 56 16.356 -8.184 0.406 1.00 0.00 C ATOM 823 O GLU A 56 15.485 -7.831 -0.387 1.00 0.00 O ATOM 824 CB GLU A 56 16.907 -10.327 1.615 1.00 0.00 C ATOM 825 CG GLU A 56 17.625 -10.456 2.960 1.00 0.00 C ATOM 826 CD GLU A 56 18.389 -11.779 3.049 1.00 0.00 C ATOM 827 OE1 GLU A 56 17.708 -12.827 3.076 1.00 0.00 O ATOM 828 OE2 GLU A 56 19.636 -11.713 3.089 1.00 0.00 O ATOM 0 H GLU A 56 14.083 -9.059 0.766 1.00 0.00 H new ATOM 0 HA GLU A 56 16.186 -8.534 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.308 -11.219 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.641 -10.265 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.316 -9.623 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.899 -10.396 3.771 1.00 0.00 H new ATOM 835 N CYS A 57 17.632 -7.834 0.325 1.00 0.00 N ATOM 836 CA CYS A 57 18.105 -6.977 -0.749 1.00 0.00 C ATOM 837 C CYS A 57 17.253 -5.706 -0.760 1.00 0.00 C ATOM 838 O CYS A 57 16.165 -5.689 -1.333 1.00 0.00 O ATOM 839 CB CYS A 57 18.078 -7.694 -2.100 1.00 0.00 C ATOM 840 SG CYS A 57 19.555 -8.713 -2.458 1.00 0.00 S ATOM 0 H CYS A 57 18.352 -8.128 0.985 1.00 0.00 H new ATOM 0 HA CYS A 57 19.148 -6.713 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 57 17.195 -8.332 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.968 -6.949 -2.888 1.00 0.00 H new ATOM 0 HG CYS A 57 19.423 -9.274 -3.623 1.00 0.00 H new ATOM 845 N THR A 58 17.780 -4.673 -0.120 1.00 0.00 N ATOM 846 CA THR A 58 17.082 -3.401 -0.049 1.00 0.00 C ATOM 847 C THR A 58 17.585 -2.454 -1.141 1.00 0.00 C ATOM 848 O THR A 58 16.806 -1.991 -1.973 1.00 0.00 O ATOM 849 CB THR A 58 17.256 -2.844 1.365 1.00 0.00 C ATOM 850 OG1 THR A 58 18.637 -3.049 1.652 1.00 0.00 O ATOM 851 CG2 THR A 58 16.528 -3.682 2.418 1.00 0.00 C ATOM 0 H THR A 58 18.683 -4.691 0.354 1.00 0.00 H new ATOM 0 HA THR A 58 16.015 -3.525 -0.236 1.00 0.00 H new ATOM 0 HB THR A 58 16.888 -1.819 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.838 -2.714 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.684 -3.243 3.404 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.461 -3.701 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.919 -4.699 2.408 1.00 0.00 H new ATOM 859 N PHE A 59 18.884 -2.195 -1.102 1.00 0.00 N ATOM 860 CA PHE A 59 19.500 -1.312 -2.078 1.00 0.00 C ATOM 861 C PHE A 59 20.087 -2.109 -3.245 1.00 0.00 C ATOM 862 O PHE A 59 20.017 -3.337 -3.260 1.00 0.00 O ATOM 863 CB PHE A 59 20.631 -0.573 -1.360 1.00 0.00 C ATOM 864 CG PHE A 59 20.666 0.931 -1.638 1.00 0.00 C ATOM 865 CD1 PHE A 59 21.183 1.395 -2.808 1.00 0.00 C ATOM 866 CD2 PHE A 59 20.181 1.805 -0.716 1.00 0.00 C ATOM 867 CE1 PHE A 59 21.215 2.791 -3.066 1.00 0.00 C ATOM 868 CE2 PHE A 59 20.214 3.201 -0.973 1.00 0.00 C ATOM 869 CZ PHE A 59 20.730 3.664 -2.143 1.00 0.00 C ATOM 0 H PHE A 59 19.527 -2.581 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 59 18.756 -0.625 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.531 -0.731 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 59 21.584 -1.010 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 59 21.569 0.702 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 59 19.770 1.437 0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 59 21.624 3.159 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 59 19.830 3.895 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 59 20.755 4.726 -2.339 1.00 0.00 H new TER 879 PHE A 59