USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot 143:sc= -1.46! USER MOD Set 1.2: A 29 THR OG1 : rot -130:sc= 1 USER MOD Set 1.3: A 31 THR OG1 : rot 180:sc= 0.876 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= -0.0965 (180deg=-0.108) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.525 K(o=0.53,f=-6.8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= -0.0253 (180deg=-0.203) USER MOD Single : A 21 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.03) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.000193 X(o=-0.00019,f=-0.00019) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -88:sc= 0.724 USER MOD Single : A 42 THR OG1 : rot 168:sc= 0.0401 USER MOD Single : A 43 THR OG1 : rot -117:sc= -0.157 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.34 K(o=-3.3,f=-0.15) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -113:sc= 0.849 (180deg=-1.42) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -1.1! C(o=-1.1!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.378 6.070 8.888 1.00 0.00 N ATOM 2 CA ARG A 1 10.170 5.444 8.302 1.00 0.00 C ATOM 3 C ARG A 1 10.437 5.033 6.856 1.00 0.00 C ATOM 4 O ARG A 1 10.779 5.870 6.020 1.00 0.00 O ATOM 5 CB ARG A 1 9.028 6.463 8.369 1.00 0.00 C ATOM 6 CG ARG A 1 7.652 5.886 8.083 1.00 0.00 C ATOM 7 CD ARG A 1 6.568 6.943 8.243 1.00 0.00 C ATOM 8 NE ARG A 1 5.222 6.390 8.099 1.00 0.00 N ATOM 9 CZ ARG A 1 4.111 7.119 8.211 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.191 8.431 8.374 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.925 6.534 8.145 1.00 0.00 N ATOM 0 H1 ARG A 1 11.184 6.345 9.872 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.166 5.391 8.867 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.634 6.914 8.337 1.00 0.00 H new ATOM 0 HA ARG A 1 9.901 4.546 8.859 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.019 6.916 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.229 7.262 7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.626 5.485 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.456 5.054 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.662 7.410 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.717 7.727 7.500 1.00 0.00 H new ATOM 0 HE ARG A 1 5.128 5.394 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.103 8.885 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.340 8.987 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.861 5.525 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.076 7.092 8.231 1.00 0.00 H new ATOM 27 N ILE A 2 10.279 3.749 6.566 1.00 0.00 N ATOM 28 CA ILE A 2 10.503 3.233 5.217 1.00 0.00 C ATOM 29 C ILE A 2 9.842 1.847 5.040 1.00 0.00 C ATOM 30 O ILE A 2 10.498 0.849 4.734 1.00 0.00 O ATOM 31 CB ILE A 2 12.024 3.178 4.896 1.00 0.00 C ATOM 32 CG1 ILE A 2 12.275 2.705 3.459 1.00 0.00 C ATOM 33 CG2 ILE A 2 12.750 2.286 5.895 1.00 0.00 C ATOM 34 CD1 ILE A 2 11.605 3.568 2.410 1.00 0.00 C ATOM 0 H ILE A 2 9.996 3.043 7.245 1.00 0.00 H new ATOM 0 HA ILE A 2 10.035 3.915 4.507 1.00 0.00 H new ATOM 0 HB ILE A 2 12.422 4.189 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.349 2.690 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 2 11.919 1.680 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 2 13.813 2.260 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.616 2.682 6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.342 1.277 5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 2 11.827 3.173 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 2 10.527 3.564 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.979 4.589 2.486 1.00 0.00 H new ATOM 46 N PRO A 3 8.517 1.760 5.246 1.00 0.00 N ATOM 47 CA PRO A 3 7.766 0.507 5.126 1.00 0.00 C ATOM 48 C PRO A 3 7.343 0.207 3.688 1.00 0.00 C ATOM 49 O PRO A 3 6.298 -0.403 3.454 1.00 0.00 O ATOM 50 CB PRO A 3 6.526 0.755 6.007 1.00 0.00 C ATOM 51 CG PRO A 3 6.720 2.120 6.595 1.00 0.00 C ATOM 52 CD PRO A 3 7.625 2.842 5.639 1.00 0.00 C ATOM 0 HA PRO A 3 8.363 -0.353 5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.610 0.708 5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.442 -0.001 6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.768 2.640 6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.165 2.060 7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.083 3.260 4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.157 3.666 6.115 1.00 0.00 H new ATOM 60 N VAL A 4 8.158 0.627 2.728 1.00 0.00 N ATOM 61 CA VAL A 4 7.868 0.394 1.316 1.00 0.00 C ATOM 62 C VAL A 4 9.128 -0.018 0.588 1.00 0.00 C ATOM 63 O VAL A 4 10.199 0.548 0.809 1.00 0.00 O ATOM 64 CB VAL A 4 7.268 1.653 0.626 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.844 1.335 -0.795 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.090 2.213 1.411 1.00 0.00 C ATOM 0 H VAL A 4 9.027 1.132 2.901 1.00 0.00 H new ATOM 0 HA VAL A 4 7.127 -0.404 1.268 1.00 0.00 H new ATOM 0 HB VAL A 4 8.048 2.414 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.427 2.229 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.709 0.999 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.090 0.548 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.697 3.091 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.309 1.456 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.420 2.493 2.411 1.00 0.00 H new ATOM 76 N LYS A 5 8.999 -1.020 -0.268 1.00 0.00 N ATOM 77 CA LYS A 5 10.138 -1.509 -1.002 1.00 0.00 C ATOM 78 C LYS A 5 9.978 -1.414 -2.523 1.00 0.00 C ATOM 79 O LYS A 5 10.656 -0.609 -3.159 1.00 0.00 O ATOM 80 CB LYS A 5 10.493 -2.906 -0.552 1.00 0.00 C ATOM 81 CG LYS A 5 9.341 -3.786 -0.137 1.00 0.00 C ATOM 82 CD LYS A 5 9.919 -5.038 0.452 1.00 0.00 C ATOM 83 CE LYS A 5 8.847 -6.039 0.874 1.00 0.00 C ATOM 84 NZ LYS A 5 9.427 -7.270 1.483 1.00 0.00 N ATOM 0 H LYS A 5 8.122 -1.502 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 5 10.972 -0.847 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.027 -3.401 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.185 -2.830 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.711 -3.275 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.710 -4.021 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.581 -5.506 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.530 -4.780 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.173 -5.566 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.248 -6.314 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.663 -7.940 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.089 -7.710 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.934 -7.020 2.356 1.00 0.00 H new ATOM 98 N TYR A 6 9.109 -2.231 -3.113 1.00 0.00 N ATOM 99 CA TYR A 6 8.928 -2.203 -4.566 1.00 0.00 C ATOM 100 C TYR A 6 7.671 -1.441 -4.952 1.00 0.00 C ATOM 101 O TYR A 6 6.979 -0.894 -4.098 1.00 0.00 O ATOM 102 CB TYR A 6 8.867 -3.619 -5.139 1.00 0.00 C ATOM 103 CG TYR A 6 9.984 -4.509 -4.641 1.00 0.00 C ATOM 104 CD1 TYR A 6 11.319 -4.198 -4.882 1.00 0.00 C ATOM 105 CD2 TYR A 6 9.703 -5.643 -3.894 1.00 0.00 C ATOM 106 CE1 TYR A 6 12.329 -4.992 -4.387 1.00 0.00 C ATOM 107 CE2 TYR A 6 10.709 -6.444 -3.403 1.00 0.00 C ATOM 108 CZ TYR A 6 12.022 -6.113 -3.649 1.00 0.00 C ATOM 109 OH TYR A 6 13.032 -6.902 -3.156 1.00 0.00 O ATOM 0 H TYR A 6 8.528 -2.909 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 6 9.791 -1.688 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.909 -4.069 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.910 -3.567 -6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.566 -3.323 -5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.674 -5.903 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 6 13.361 -4.736 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.469 -7.327 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 6 12.647 -7.652 -2.657 1.00 0.00 H new ATOM 119 N GLY A 7 7.394 -1.408 -6.249 1.00 0.00 N ATOM 120 CA GLY A 7 6.234 -0.701 -6.758 1.00 0.00 C ATOM 121 C GLY A 7 6.645 0.571 -7.457 1.00 0.00 C ATOM 122 O GLY A 7 7.736 0.645 -8.019 1.00 0.00 O ATOM 0 H GLY A 7 7.959 -1.864 -6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.687 -1.341 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.556 -0.467 -5.937 1.00 0.00 H new ATOM 126 N ASN A 8 5.789 1.575 -7.424 1.00 0.00 N ATOM 127 CA ASN A 8 6.106 2.847 -8.074 1.00 0.00 C ATOM 128 C ASN A 8 6.318 3.961 -7.046 1.00 0.00 C ATOM 129 O ASN A 8 6.257 5.149 -7.369 1.00 0.00 O ATOM 130 CB ASN A 8 5.020 3.221 -9.091 1.00 0.00 C ATOM 131 CG ASN A 8 3.708 3.635 -8.449 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.291 3.072 -7.436 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.024 4.590 -9.065 1.00 0.00 N ATOM 0 H ASN A 8 4.880 1.543 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 8 7.044 2.725 -8.615 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.383 4.037 -9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.841 2.371 -9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.117 4.883 -8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.405 5.031 -9.902 1.00 0.00 H new ATOM 140 N ALA A 9 6.591 3.557 -5.809 1.00 0.00 N ATOM 141 CA ALA A 9 6.846 4.486 -4.716 1.00 0.00 C ATOM 142 C ALA A 9 8.350 4.651 -4.507 1.00 0.00 C ATOM 143 O ALA A 9 8.898 5.718 -4.774 1.00 0.00 O ATOM 144 CB ALA A 9 6.170 3.998 -3.446 1.00 0.00 C ATOM 0 H ALA A 9 6.641 2.575 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 9 6.428 5.460 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.367 4.700 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.095 3.927 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.562 3.017 -3.179 1.00 0.00 H new ATOM 150 N ASP A 10 9.005 3.572 -4.050 1.00 0.00 N ATOM 151 CA ASP A 10 10.461 3.539 -3.813 1.00 0.00 C ATOM 152 C ASP A 10 10.960 4.691 -2.938 1.00 0.00 C ATOM 153 O ASP A 10 11.220 5.792 -3.426 1.00 0.00 O ATOM 154 CB ASP A 10 11.229 3.536 -5.143 1.00 0.00 C ATOM 155 CG ASP A 10 11.219 2.187 -5.827 1.00 0.00 C ATOM 156 OD1 ASP A 10 10.123 1.663 -6.097 1.00 0.00 O ATOM 157 OD2 ASP A 10 12.312 1.660 -6.117 1.00 0.00 O ATOM 0 H ASP A 10 8.538 2.691 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 10 10.653 2.614 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.792 4.279 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.261 3.838 -4.961 1.00 0.00 H new ATOM 162 N GLY A 11 11.129 4.427 -1.649 1.00 0.00 N ATOM 163 CA GLY A 11 11.636 5.452 -0.751 1.00 0.00 C ATOM 164 C GLY A 11 10.554 6.126 0.072 1.00 0.00 C ATOM 165 O GLY A 11 10.849 6.823 1.044 1.00 0.00 O ATOM 0 H GLY A 11 10.927 3.529 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.367 5.005 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.161 6.208 -1.335 1.00 0.00 H new ATOM 169 N GLU A 12 9.305 5.924 -0.316 1.00 0.00 N ATOM 170 CA GLU A 12 8.177 6.519 0.388 1.00 0.00 C ATOM 171 C GLU A 12 7.708 5.630 1.536 1.00 0.00 C ATOM 172 O GLU A 12 8.223 4.529 1.734 1.00 0.00 O ATOM 173 CB GLU A 12 7.044 6.785 -0.600 1.00 0.00 C ATOM 174 CG GLU A 12 7.185 8.114 -1.321 1.00 0.00 C ATOM 175 CD GLU A 12 6.813 8.038 -2.783 1.00 0.00 C ATOM 176 OE1 GLU A 12 5.692 7.595 -3.094 1.00 0.00 O ATOM 177 OE2 GLU A 12 7.637 8.443 -3.621 1.00 0.00 O ATOM 0 H GLU A 12 9.045 5.350 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 12 8.496 7.465 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.014 5.981 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.093 6.766 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.555 8.855 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.214 8.461 -1.232 1.00 0.00 H new ATOM 184 N TYR A 13 6.746 6.126 2.306 1.00 0.00 N ATOM 185 CA TYR A 13 6.222 5.402 3.442 1.00 0.00 C ATOM 186 C TYR A 13 4.731 5.103 3.283 1.00 0.00 C ATOM 187 O TYR A 13 4.060 5.697 2.437 1.00 0.00 O ATOM 188 CB TYR A 13 6.498 6.203 4.698 1.00 0.00 C ATOM 189 CG TYR A 13 6.107 7.652 4.614 1.00 0.00 C ATOM 190 CD1 TYR A 13 4.789 8.037 4.431 1.00 0.00 C ATOM 191 CD2 TYR A 13 7.073 8.629 4.729 1.00 0.00 C ATOM 192 CE1 TYR A 13 4.444 9.373 4.367 1.00 0.00 C ATOM 193 CE2 TYR A 13 6.744 9.966 4.666 1.00 0.00 C ATOM 194 CZ TYR A 13 5.428 10.335 4.486 1.00 0.00 C ATOM 195 OH TYR A 13 5.093 11.668 4.425 1.00 0.00 O ATOM 0 H TYR A 13 6.314 7.038 2.156 1.00 0.00 H new ATOM 0 HA TYR A 13 6.721 4.435 3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.965 5.744 5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.562 6.140 4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.021 7.283 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.104 8.342 4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.413 9.663 4.225 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.512 10.720 4.757 1.00 0.00 H new ATOM 0 HH TYR A 13 5.901 12.213 4.527 1.00 0.00 H new ATOM 205 N CYS A 14 4.215 4.186 4.097 1.00 0.00 N ATOM 206 CA CYS A 14 2.805 3.821 4.043 1.00 0.00 C ATOM 207 C CYS A 14 1.960 4.883 4.720 1.00 0.00 C ATOM 208 O CYS A 14 2.326 5.381 5.780 1.00 0.00 O ATOM 209 CB CYS A 14 2.575 2.485 4.744 1.00 0.00 C ATOM 210 SG CYS A 14 3.440 1.076 3.985 1.00 0.00 S ATOM 0 H CYS A 14 4.754 3.683 4.802 1.00 0.00 H new ATOM 0 HA CYS A 14 2.517 3.737 2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.894 2.574 5.782 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.506 2.275 4.756 1.00 0.00 H new ATOM 215 N LYS A 15 0.834 5.226 4.119 1.00 0.00 N ATOM 216 CA LYS A 15 -0.046 6.228 4.696 1.00 0.00 C ATOM 217 C LYS A 15 -1.242 5.553 5.356 1.00 0.00 C ATOM 218 O LYS A 15 -2.153 5.089 4.675 1.00 0.00 O ATOM 219 CB LYS A 15 -0.517 7.206 3.612 1.00 0.00 C ATOM 220 CG LYS A 15 -1.073 8.514 4.161 1.00 0.00 C ATOM 221 CD LYS A 15 -0.015 9.273 4.947 1.00 0.00 C ATOM 222 CE LYS A 15 -0.558 10.577 5.507 1.00 0.00 C ATOM 223 NZ LYS A 15 -1.035 11.493 4.433 1.00 0.00 N ATOM 0 H LYS A 15 0.509 4.829 3.238 1.00 0.00 H new ATOM 0 HA LYS A 15 0.503 6.787 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.319 7.428 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.284 6.722 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.433 9.133 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.929 8.307 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.348 8.650 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.838 9.482 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.379 10.363 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.220 11.073 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.189 12.442 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.321 11.545 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.928 11.133 4.041 1.00 0.00 H new ATOM 237 N PHE A 16 -1.233 5.495 6.682 1.00 0.00 N ATOM 238 CA PHE A 16 -2.325 4.863 7.416 1.00 0.00 C ATOM 239 C PHE A 16 -3.171 5.906 8.132 1.00 0.00 C ATOM 240 O PHE A 16 -2.645 6.737 8.872 1.00 0.00 O ATOM 241 CB PHE A 16 -1.800 3.861 8.443 1.00 0.00 C ATOM 242 CG PHE A 16 -0.936 2.772 7.874 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.385 1.964 6.841 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.321 2.542 8.398 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.591 0.946 6.345 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.123 1.531 7.906 1.00 0.00 C ATOM 247 CZ PHE A 16 0.670 0.724 6.877 1.00 0.00 C ATOM 0 H PHE A 16 -0.489 5.874 7.268 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.937 4.335 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.229 4.401 9.198 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.649 3.404 8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.365 2.131 6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.682 3.162 9.205 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.954 0.322 5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.105 1.370 8.325 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.292 -0.070 6.492 1.00 0.00 H new ATOM 257 N PRO A 17 -4.495 5.871 7.930 1.00 0.00 N ATOM 258 CA PRO A 17 -5.152 4.901 7.061 1.00 0.00 C ATOM 259 C PRO A 17 -5.300 5.414 5.633 1.00 0.00 C ATOM 260 O PRO A 17 -5.492 6.610 5.418 1.00 0.00 O ATOM 261 CB PRO A 17 -6.533 4.745 7.709 1.00 0.00 C ATOM 262 CG PRO A 17 -6.712 5.934 8.625 1.00 0.00 C ATOM 263 CD PRO A 17 -5.470 6.782 8.528 1.00 0.00 C ATOM 0 HA PRO A 17 -4.587 3.973 6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.316 4.717 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.596 3.811 8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.591 6.510 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.870 5.605 9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.631 7.664 7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.145 7.135 9.507 1.00 0.00 H new ATOM 271 N PHE A 18 -5.230 4.520 4.658 1.00 0.00 N ATOM 272 CA PHE A 18 -5.388 4.939 3.275 1.00 0.00 C ATOM 273 C PHE A 18 -6.745 4.507 2.745 1.00 0.00 C ATOM 274 O PHE A 18 -7.387 3.627 3.317 1.00 0.00 O ATOM 275 CB PHE A 18 -4.258 4.429 2.370 1.00 0.00 C ATOM 276 CG PHE A 18 -4.148 2.931 2.244 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.541 2.175 3.236 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.637 2.281 1.121 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.427 0.804 3.110 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.530 0.909 0.990 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.920 0.165 1.982 1.00 0.00 C ATOM 0 H PHE A 18 -5.069 3.522 4.794 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.330 6.027 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.397 4.850 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.311 4.814 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.153 2.664 4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.108 2.855 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.953 0.229 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.923 0.418 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.828 -0.906 1.880 1.00 0.00 H new ATOM 291 N LEU A 19 -7.185 5.144 1.670 1.00 0.00 N ATOM 292 CA LEU A 19 -8.480 4.847 1.077 1.00 0.00 C ATOM 293 C LEU A 19 -8.345 3.965 -0.157 1.00 0.00 C ATOM 294 O LEU A 19 -7.780 4.374 -1.174 1.00 0.00 O ATOM 295 CB LEU A 19 -9.191 6.150 0.707 1.00 0.00 C ATOM 296 CG LEU A 19 -10.627 5.988 0.225 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.520 5.522 1.362 1.00 0.00 C ATOM 298 CD2 LEU A 19 -11.135 7.290 -0.373 1.00 0.00 C ATOM 0 H LEU A 19 -6.660 5.874 1.188 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.068 4.301 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.188 6.807 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.617 6.650 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.651 5.226 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.542 5.412 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.162 4.563 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.498 6.257 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.162 7.158 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.101 8.075 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.507 7.572 -1.218 1.00 0.00 H new ATOM 310 N PHE A 20 -8.887 2.759 -0.064 1.00 0.00 N ATOM 311 CA PHE A 20 -8.856 1.812 -1.167 1.00 0.00 C ATOM 312 C PHE A 20 -10.272 1.459 -1.587 1.00 0.00 C ATOM 313 O PHE A 20 -10.938 0.663 -0.923 1.00 0.00 O ATOM 314 CB PHE A 20 -8.139 0.534 -0.758 1.00 0.00 C ATOM 315 CG PHE A 20 -7.869 -0.404 -1.893 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.247 0.020 -3.055 1.00 0.00 C ATOM 317 CD2 PHE A 20 -8.241 -1.728 -1.779 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.001 -0.873 -4.082 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.999 -2.624 -2.798 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.379 -2.197 -3.952 1.00 0.00 C ATOM 0 H PHE A 20 -9.357 2.412 0.772 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.323 2.277 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.193 0.796 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.738 0.018 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.952 1.054 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.729 -2.067 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.514 -0.537 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.294 -3.657 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.189 -2.895 -4.754 1.00 0.00 H new ATOM 330 N ASN A 21 -10.723 2.046 -2.688 1.00 0.00 N ATOM 331 CA ASN A 21 -12.069 1.796 -3.220 1.00 0.00 C ATOM 332 C ASN A 21 -13.163 2.021 -2.173 1.00 0.00 C ATOM 333 O ASN A 21 -14.215 1.381 -2.220 1.00 0.00 O ATOM 334 CB ASN A 21 -12.173 0.371 -3.781 1.00 0.00 C ATOM 335 CG ASN A 21 -11.381 0.182 -5.060 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.286 -0.927 -5.586 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.817 1.263 -5.578 1.00 0.00 N ATOM 0 H ASN A 21 -10.175 2.706 -3.239 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.227 2.517 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.818 -0.336 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.220 0.136 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.281 1.194 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.919 2.165 -5.112 1.00 0.00 H new ATOM 344 N GLY A 22 -12.924 2.938 -1.244 1.00 0.00 N ATOM 345 CA GLY A 22 -13.915 3.230 -0.226 1.00 0.00 C ATOM 346 C GLY A 22 -13.646 2.561 1.109 1.00 0.00 C ATOM 347 O GLY A 22 -14.448 2.690 2.033 1.00 0.00 O ATOM 0 H GLY A 22 -12.065 3.483 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.961 4.309 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.895 2.916 -0.587 1.00 0.00 H new ATOM 351 N LYS A 23 -12.526 1.860 1.229 1.00 0.00 N ATOM 352 CA LYS A 23 -12.191 1.194 2.484 1.00 0.00 C ATOM 353 C LYS A 23 -10.880 1.741 3.035 1.00 0.00 C ATOM 354 O LYS A 23 -9.911 1.901 2.298 1.00 0.00 O ATOM 355 CB LYS A 23 -12.095 -0.322 2.276 1.00 0.00 C ATOM 356 CG LYS A 23 -11.938 -1.121 3.565 1.00 0.00 C ATOM 357 CD LYS A 23 -11.853 -2.609 3.285 1.00 0.00 C ATOM 358 CE LYS A 23 -11.689 -3.409 4.565 1.00 0.00 C ATOM 359 NZ LYS A 23 -11.592 -4.867 4.293 1.00 0.00 N ATOM 0 H LYS A 23 -11.841 1.738 0.484 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.982 1.392 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.990 -0.664 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.248 -0.535 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.040 -0.796 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.782 -0.921 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.754 -2.934 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.012 -2.808 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.794 -3.076 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.535 -3.217 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.481 -5.381 5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.457 -5.189 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.770 -5.053 3.684 1.00 0.00 H new ATOM 373 N GLU A 24 -10.858 2.035 4.326 1.00 0.00 N ATOM 374 CA GLU A 24 -9.663 2.578 4.962 1.00 0.00 C ATOM 375 C GLU A 24 -8.862 1.483 5.662 1.00 0.00 C ATOM 376 O GLU A 24 -9.405 0.711 6.454 1.00 0.00 O ATOM 377 CB GLU A 24 -10.056 3.669 5.955 1.00 0.00 C ATOM 378 CG GLU A 24 -10.813 4.815 5.311 1.00 0.00 C ATOM 379 CD GLU A 24 -11.263 5.847 6.312 1.00 0.00 C ATOM 380 OE1 GLU A 24 -10.400 6.433 6.989 1.00 0.00 O ATOM 381 OE2 GLU A 24 -12.483 6.074 6.418 1.00 0.00 O ATOM 0 H GLU A 24 -11.651 1.908 4.954 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.028 3.009 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.671 3.232 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.157 4.058 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.178 5.291 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.683 4.421 4.785 1.00 0.00 H new ATOM 388 N TYR A 25 -7.570 1.419 5.354 1.00 0.00 N ATOM 389 CA TYR A 25 -6.682 0.415 5.938 1.00 0.00 C ATOM 390 C TYR A 25 -5.637 1.045 6.850 1.00 0.00 C ATOM 391 O TYR A 25 -4.924 1.965 6.454 1.00 0.00 O ATOM 392 CB TYR A 25 -5.957 -0.354 4.837 1.00 0.00 C ATOM 393 CG TYR A 25 -6.860 -1.165 3.944 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.472 -2.322 4.398 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.100 -0.759 2.644 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.304 -3.056 3.568 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.927 -1.484 1.812 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.526 -2.628 2.277 1.00 0.00 C ATOM 399 OH TYR A 25 -9.347 -3.352 1.445 1.00 0.00 O ATOM 0 H TYR A 25 -7.111 2.053 4.700 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.306 -0.257 6.527 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.400 0.354 4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.227 -1.021 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.299 -2.656 5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.632 0.141 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.775 -3.958 3.930 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.103 -1.153 0.799 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.860 -2.739 0.877 1.00 0.00 H new ATOM 409 N ASN A 26 -5.518 0.510 8.056 1.00 0.00 N ATOM 410 CA ASN A 26 -4.520 0.986 9.012 1.00 0.00 C ATOM 411 C ASN A 26 -3.334 0.038 9.014 1.00 0.00 C ATOM 412 O ASN A 26 -2.430 0.140 9.844 1.00 0.00 O ATOM 413 CB ASN A 26 -5.107 1.104 10.416 1.00 0.00 C ATOM 414 CG ASN A 26 -5.766 2.445 10.645 1.00 0.00 C ATOM 415 OD1 ASN A 26 -5.093 3.468 10.782 1.00 0.00 O ATOM 416 ND2 ASN A 26 -7.087 2.451 10.657 1.00 0.00 N ATOM 0 H ASN A 26 -6.099 -0.255 8.399 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.194 1.981 8.708 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.838 0.310 10.571 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.317 0.958 11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.592 3.328 10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.602 1.578 10.540 1.00 0.00 H new ATOM 423 N SER A 27 -3.350 -0.879 8.059 1.00 0.00 N ATOM 424 CA SER A 27 -2.295 -1.858 7.897 1.00 0.00 C ATOM 425 C SER A 27 -2.206 -2.267 6.432 1.00 0.00 C ATOM 426 O SER A 27 -3.127 -2.006 5.655 1.00 0.00 O ATOM 427 CB SER A 27 -2.556 -3.085 8.781 1.00 0.00 C ATOM 428 OG SER A 27 -3.815 -3.679 8.495 1.00 0.00 O ATOM 0 H SER A 27 -4.100 -0.962 7.373 1.00 0.00 H new ATOM 0 HA SER A 27 -1.348 -1.416 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.764 -3.819 8.629 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.522 -2.792 9.830 1.00 0.00 H new ATOM 0 HG SER A 27 -3.948 -4.458 9.074 1.00 0.00 H new ATOM 434 N CYS A 28 -1.109 -2.905 6.060 1.00 0.00 N ATOM 435 CA CYS A 28 -0.923 -3.353 4.690 1.00 0.00 C ATOM 436 C CYS A 28 -1.895 -4.487 4.387 1.00 0.00 C ATOM 437 O CYS A 28 -2.073 -5.387 5.205 1.00 0.00 O ATOM 438 CB CYS A 28 0.520 -3.809 4.485 1.00 0.00 C ATOM 439 SG CYS A 28 1.749 -2.549 4.945 1.00 0.00 S ATOM 0 H CYS A 28 -0.335 -3.124 6.687 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.124 -2.529 4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.696 -4.709 5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.662 -4.080 3.439 1.00 0.00 H new ATOM 444 N THR A 29 -2.542 -4.435 3.230 1.00 0.00 N ATOM 445 CA THR A 29 -3.506 -5.455 2.858 1.00 0.00 C ATOM 446 C THR A 29 -3.092 -6.142 1.563 1.00 0.00 C ATOM 447 O THR A 29 -2.263 -5.622 0.821 1.00 0.00 O ATOM 448 CB THR A 29 -4.907 -4.825 2.727 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.889 -5.816 2.482 1.00 0.00 O ATOM 450 CG2 THR A 29 -5.025 -3.789 1.617 1.00 0.00 C ATOM 0 H THR A 29 -2.415 -3.698 2.536 1.00 0.00 H new ATOM 0 HA THR A 29 -3.537 -6.215 3.639 1.00 0.00 H new ATOM 0 HB THR A 29 -5.068 -4.325 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.436 -5.551 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.041 -3.396 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.325 -2.975 1.803 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.793 -4.254 0.659 1.00 0.00 H new ATOM 458 N ASP A 30 -3.678 -7.305 1.290 1.00 0.00 N ATOM 459 CA ASP A 30 -3.380 -8.045 0.070 1.00 0.00 C ATOM 460 C ASP A 30 -4.523 -7.886 -0.913 1.00 0.00 C ATOM 461 O ASP A 30 -4.557 -8.535 -1.959 1.00 0.00 O ATOM 462 CB ASP A 30 -3.152 -9.531 0.331 1.00 0.00 C ATOM 463 CG ASP A 30 -2.968 -9.894 1.790 1.00 0.00 C ATOM 464 OD1 ASP A 30 -3.899 -9.662 2.587 1.00 0.00 O ATOM 465 OD2 ASP A 30 -1.903 -10.444 2.135 1.00 0.00 O ATOM 0 H ASP A 30 -4.362 -7.754 1.899 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.458 -7.633 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.000 -10.090 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.271 -9.853 -0.224 1.00 0.00 H new ATOM 470 N THR A 31 -5.466 -7.019 -0.557 1.00 0.00 N ATOM 471 CA THR A 31 -6.634 -6.755 -1.384 1.00 0.00 C ATOM 472 C THR A 31 -6.216 -6.134 -2.708 1.00 0.00 C ATOM 473 O THR A 31 -5.335 -5.279 -2.749 1.00 0.00 O ATOM 474 CB THR A 31 -7.582 -5.807 -0.654 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.799 -6.237 0.679 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.937 -5.680 -1.314 1.00 0.00 C ATOM 0 H THR A 31 -5.441 -6.482 0.310 1.00 0.00 H new ATOM 0 HA THR A 31 -7.142 -7.699 -1.580 1.00 0.00 H new ATOM 0 HB THR A 31 -7.088 -4.836 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.408 -5.614 1.129 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.558 -4.991 -0.741 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.814 -5.300 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.418 -6.658 -1.349 1.00 0.00 H new ATOM 484 N GLY A 32 -6.847 -6.569 -3.785 1.00 0.00 N ATOM 485 CA GLY A 32 -6.523 -6.046 -5.089 1.00 0.00 C ATOM 486 C GLY A 32 -5.373 -6.791 -5.732 1.00 0.00 C ATOM 487 O GLY A 32 -5.156 -6.687 -6.941 1.00 0.00 O ATOM 0 H GLY A 32 -7.580 -7.278 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.400 -6.109 -5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.267 -4.990 -5.002 1.00 0.00 H new ATOM 491 N ARG A 33 -4.631 -7.544 -4.923 1.00 0.00 N ATOM 492 CA ARG A 33 -3.493 -8.315 -5.410 1.00 0.00 C ATOM 493 C ARG A 33 -3.905 -9.754 -5.678 1.00 0.00 C ATOM 494 O ARG A 33 -4.956 -10.206 -5.223 1.00 0.00 O ATOM 495 CB ARG A 33 -2.350 -8.283 -4.391 1.00 0.00 C ATOM 496 CG ARG A 33 -1.817 -6.887 -4.100 1.00 0.00 C ATOM 497 CD ARG A 33 -1.241 -6.224 -5.345 1.00 0.00 C ATOM 498 NE ARG A 33 -0.108 -6.974 -5.892 1.00 0.00 N ATOM 499 CZ ARG A 33 0.660 -6.528 -6.884 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.462 -5.312 -7.372 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.636 -7.291 -7.368 1.00 0.00 N ATOM 0 H ARG A 33 -4.800 -7.636 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.148 -7.866 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.696 -8.730 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.532 -8.903 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.620 -6.269 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.046 -6.946 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.019 -6.139 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.921 -5.211 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 33 0.104 -7.888 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.276 -4.722 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.048 -4.966 -8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.797 -8.220 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.223 -6.947 -8.128 1.00 0.00 H new ATOM 515 N SER A 34 -3.081 -10.470 -6.419 1.00 0.00 N ATOM 516 CA SER A 34 -3.379 -11.855 -6.748 1.00 0.00 C ATOM 517 C SER A 34 -2.475 -12.820 -5.990 1.00 0.00 C ATOM 518 O SER A 34 -2.829 -13.978 -5.783 1.00 0.00 O ATOM 519 CB SER A 34 -3.225 -12.072 -8.252 1.00 0.00 C ATOM 520 OG SER A 34 -3.892 -11.051 -8.983 1.00 0.00 O ATOM 0 H SER A 34 -2.204 -10.120 -6.804 1.00 0.00 H new ATOM 0 HA SER A 34 -4.407 -12.058 -6.449 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.167 -12.082 -8.516 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.631 -13.046 -8.526 1.00 0.00 H new ATOM 0 HG SER A 34 -3.779 -11.209 -9.944 1.00 0.00 H new ATOM 526 N ASP A 35 -1.298 -12.353 -5.598 1.00 0.00 N ATOM 527 CA ASP A 35 -0.349 -13.196 -4.897 1.00 0.00 C ATOM 528 C ASP A 35 -0.351 -12.976 -3.394 1.00 0.00 C ATOM 529 O ASP A 35 0.556 -13.433 -2.700 1.00 0.00 O ATOM 530 CB ASP A 35 1.041 -12.968 -5.444 1.00 0.00 C ATOM 531 CG ASP A 35 1.269 -13.645 -6.775 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.614 -13.254 -7.762 1.00 0.00 O ATOM 533 OD2 ASP A 35 2.100 -14.572 -6.834 1.00 0.00 O ATOM 0 H ASP A 35 -0.981 -11.396 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.659 -14.227 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.211 -11.897 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.773 -13.336 -4.725 1.00 0.00 H new ATOM 538 N GLY A 36 -1.372 -12.300 -2.892 1.00 0.00 N ATOM 539 CA GLY A 36 -1.471 -12.051 -1.466 1.00 0.00 C ATOM 540 C GLY A 36 -0.278 -11.304 -0.899 1.00 0.00 C ATOM 541 O GLY A 36 0.292 -11.717 0.110 1.00 0.00 O ATOM 0 H GLY A 36 -2.137 -11.917 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.377 -11.478 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.575 -13.003 -0.945 1.00 0.00 H new ATOM 545 N PHE A 37 0.089 -10.200 -1.532 1.00 0.00 N ATOM 546 CA PHE A 37 1.208 -9.397 -1.061 1.00 0.00 C ATOM 547 C PHE A 37 0.685 -8.191 -0.302 1.00 0.00 C ATOM 548 O PHE A 37 -0.272 -7.547 -0.733 1.00 0.00 O ATOM 549 CB PHE A 37 2.091 -8.946 -2.228 1.00 0.00 C ATOM 550 CG PHE A 37 2.992 -10.017 -2.779 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.058 -11.272 -2.194 1.00 0.00 C ATOM 552 CD2 PHE A 37 3.779 -9.760 -3.889 1.00 0.00 C ATOM 553 CE1 PHE A 37 3.890 -12.248 -2.706 1.00 0.00 C ATOM 554 CE2 PHE A 37 4.612 -10.732 -4.405 1.00 0.00 C ATOM 555 CZ PHE A 37 4.668 -11.977 -3.814 1.00 0.00 C ATOM 0 H PHE A 37 -0.369 -9.841 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 37 1.818 -10.008 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.451 -8.579 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.704 -8.107 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.451 -11.489 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.741 -8.787 -4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.932 -13.222 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.220 -10.518 -5.272 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.319 -12.738 -4.217 1.00 0.00 H new ATOM 565 N LEU A 38 1.315 -7.892 0.826 1.00 0.00 N ATOM 566 CA LEU A 38 0.908 -6.765 1.648 1.00 0.00 C ATOM 567 C LEU A 38 1.431 -5.466 1.063 1.00 0.00 C ATOM 568 O LEU A 38 2.638 -5.250 0.974 1.00 0.00 O ATOM 569 CB LEU A 38 1.420 -6.939 3.072 1.00 0.00 C ATOM 570 CG LEU A 38 0.850 -8.143 3.830 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.477 -8.245 5.210 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.659 -8.032 3.949 1.00 0.00 C ATOM 0 H LEU A 38 2.110 -8.416 1.191 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.181 -6.727 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.506 -7.030 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.192 -6.034 3.636 1.00 0.00 H new ATOM 0 HG LEU A 38 1.089 -9.046 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.062 -9.105 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.556 -8.366 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.264 -7.337 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.046 -8.896 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.915 -7.121 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.101 -8.000 2.953 1.00 0.00 H new ATOM 584 N TRP A 39 0.520 -4.600 0.660 1.00 0.00 N ATOM 585 CA TRP A 39 0.907 -3.332 0.079 1.00 0.00 C ATOM 586 C TRP A 39 0.234 -2.173 0.793 1.00 0.00 C ATOM 587 O TRP A 39 -0.679 -2.363 1.601 1.00 0.00 O ATOM 588 CB TRP A 39 0.575 -3.286 -1.420 1.00 0.00 C ATOM 589 CG TRP A 39 -0.893 -3.348 -1.731 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.663 -4.467 -1.833 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.767 -2.239 -1.977 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.955 -4.123 -2.128 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.045 -2.764 -2.220 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.595 -0.854 -2.011 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.141 -1.957 -2.500 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.684 -0.054 -2.290 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.941 -0.609 -2.529 1.00 0.00 C ATOM 0 H TRP A 39 -0.487 -4.752 0.724 1.00 0.00 H new ATOM 0 HA TRP A 39 1.986 -3.236 0.200 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.985 -2.369 -1.843 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.075 -4.118 -1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.306 -5.478 -1.701 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.727 -4.777 -2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.626 -0.416 -1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.116 -2.382 -2.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.561 1.018 -2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.775 0.044 -2.742 1.00 0.00 H new ATOM 608 N CYS A 40 0.697 -0.977 0.482 1.00 0.00 N ATOM 609 CA CYS A 40 0.169 0.244 1.062 1.00 0.00 C ATOM 610 C CYS A 40 0.380 1.387 0.080 1.00 0.00 C ATOM 611 O CYS A 40 1.256 1.307 -0.781 1.00 0.00 O ATOM 612 CB CYS A 40 0.910 0.557 2.361 1.00 0.00 C ATOM 613 SG CYS A 40 2.668 0.974 2.112 1.00 0.00 S ATOM 0 H CYS A 40 1.454 -0.824 -0.184 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.894 0.121 1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.415 1.389 2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.839 -0.303 3.027 1.00 0.00 H new ATOM 618 N SER A 41 -0.386 2.453 0.206 1.00 0.00 N ATOM 619 CA SER A 41 -0.216 3.589 -0.676 1.00 0.00 C ATOM 620 C SER A 41 0.427 4.733 0.096 1.00 0.00 C ATOM 621 O SER A 41 0.265 4.832 1.315 1.00 0.00 O ATOM 622 CB SER A 41 -1.561 4.019 -1.270 1.00 0.00 C ATOM 623 OG SER A 41 -2.527 4.210 -0.255 1.00 0.00 O ATOM 0 H SER A 41 -1.124 2.556 0.903 1.00 0.00 H new ATOM 0 HA SER A 41 0.435 3.308 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.434 4.943 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.911 3.262 -1.972 1.00 0.00 H new ATOM 0 HG SER A 41 -2.980 3.361 -0.071 1.00 0.00 H new ATOM 629 N THR A 42 1.153 5.592 -0.601 1.00 0.00 N ATOM 630 CA THR A 42 1.801 6.723 0.041 1.00 0.00 C ATOM 631 C THR A 42 0.816 7.881 0.117 1.00 0.00 C ATOM 632 O THR A 42 0.937 8.781 0.953 1.00 0.00 O ATOM 633 CB THR A 42 3.049 7.120 -0.745 1.00 0.00 C ATOM 634 OG1 THR A 42 3.821 5.972 -1.053 1.00 0.00 O ATOM 635 CG2 THR A 42 3.945 8.091 -0.006 1.00 0.00 C ATOM 0 H THR A 42 1.308 5.528 -1.607 1.00 0.00 H new ATOM 0 HA THR A 42 2.109 6.453 1.051 1.00 0.00 H new ATOM 0 HB THR A 42 2.682 7.612 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.504 6.205 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.811 8.329 -0.623 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.391 9.005 0.210 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.278 7.640 0.928 1.00 0.00 H new ATOM 643 N THR A 43 -0.173 7.839 -0.762 1.00 0.00 N ATOM 644 CA THR A 43 -1.198 8.861 -0.811 1.00 0.00 C ATOM 645 C THR A 43 -2.463 8.357 -0.134 1.00 0.00 C ATOM 646 O THR A 43 -2.573 7.171 0.189 1.00 0.00 O ATOM 647 CB THR A 43 -1.465 9.236 -2.267 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.791 8.083 -3.024 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.278 9.896 -2.933 1.00 0.00 C ATOM 0 H THR A 43 -0.285 7.100 -1.456 1.00 0.00 H new ATOM 0 HA THR A 43 -0.862 9.750 -0.278 1.00 0.00 H new ATOM 0 HB THR A 43 -2.294 9.944 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.113 7.945 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.529 10.139 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.022 10.810 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.573 9.215 -2.917 1.00 0.00 H new ATOM 657 N TYR A 44 -3.416 9.249 0.088 1.00 0.00 N ATOM 658 CA TYR A 44 -4.657 8.863 0.734 1.00 0.00 C ATOM 659 C TYR A 44 -5.534 8.069 -0.223 1.00 0.00 C ATOM 660 O TYR A 44 -5.997 6.982 0.109 1.00 0.00 O ATOM 661 CB TYR A 44 -5.409 10.095 1.245 1.00 0.00 C ATOM 662 CG TYR A 44 -6.607 9.752 2.109 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.464 8.975 3.254 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.880 10.202 1.783 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.551 8.660 4.044 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.971 9.890 2.571 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.799 9.119 3.698 1.00 0.00 C ATOM 668 OH TYR A 44 -9.881 8.807 4.488 1.00 0.00 O ATOM 0 H TYR A 44 -3.354 10.235 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.412 8.230 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.723 10.719 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.742 10.688 0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.485 8.612 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.019 10.806 0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.421 8.056 4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.954 10.249 2.304 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.690 9.208 4.107 1.00 0.00 H new ATOM 678 N ASN A 45 -5.760 8.610 -1.409 1.00 0.00 N ATOM 679 CA ASN A 45 -6.587 7.934 -2.394 1.00 0.00 C ATOM 680 C ASN A 45 -5.700 7.187 -3.391 1.00 0.00 C ATOM 681 O ASN A 45 -4.983 7.806 -4.178 1.00 0.00 O ATOM 682 CB ASN A 45 -7.471 8.956 -3.120 1.00 0.00 C ATOM 683 CG ASN A 45 -8.632 8.388 -3.881 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.520 9.136 -4.281 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.647 7.104 -4.141 1.00 0.00 N ATOM 0 H ASN A 45 -5.385 9.509 -1.711 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.230 7.212 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.854 9.665 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.847 9.521 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.409 6.703 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.897 6.505 -3.797 1.00 0.00 H new ATOM 692 N PHE A 46 -5.740 5.860 -3.346 1.00 0.00 N ATOM 693 CA PHE A 46 -4.925 5.038 -4.241 1.00 0.00 C ATOM 694 C PHE A 46 -5.446 5.070 -5.681 1.00 0.00 C ATOM 695 O PHE A 46 -4.690 4.852 -6.628 1.00 0.00 O ATOM 696 CB PHE A 46 -4.892 3.591 -3.737 1.00 0.00 C ATOM 697 CG PHE A 46 -4.129 2.657 -4.651 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.771 2.842 -4.890 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.770 1.604 -5.284 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.082 1.994 -5.735 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.081 0.755 -6.128 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.738 0.949 -6.353 1.00 0.00 C ATOM 0 H PHE A 46 -6.326 5.329 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.917 5.454 -4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.439 3.569 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.914 3.228 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.250 3.657 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.825 1.445 -5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.028 2.149 -5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.597 -0.061 -6.611 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.198 0.285 -7.012 1.00 0.00 H new ATOM 712 N GLU A 47 -6.738 5.311 -5.838 1.00 0.00 N ATOM 713 CA GLU A 47 -7.369 5.333 -7.156 1.00 0.00 C ATOM 714 C GLU A 47 -6.795 6.420 -8.072 1.00 0.00 C ATOM 715 O GLU A 47 -6.386 6.132 -9.199 1.00 0.00 O ATOM 716 CB GLU A 47 -8.877 5.529 -6.988 1.00 0.00 C ATOM 717 CG GLU A 47 -9.688 5.242 -8.234 1.00 0.00 C ATOM 718 CD GLU A 47 -11.169 5.388 -7.989 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.692 4.672 -7.113 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.805 6.221 -8.659 1.00 0.00 O ATOM 0 H GLU A 47 -7.378 5.496 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.160 4.378 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.228 4.882 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.065 6.556 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.383 5.922 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.476 4.230 -8.580 1.00 0.00 H new ATOM 727 N LYS A 48 -6.807 7.666 -7.604 1.00 0.00 N ATOM 728 CA LYS A 48 -6.328 8.785 -8.414 1.00 0.00 C ATOM 729 C LYS A 48 -4.804 8.841 -8.541 1.00 0.00 C ATOM 730 O LYS A 48 -4.286 9.060 -9.635 1.00 0.00 O ATOM 731 CB LYS A 48 -6.856 10.123 -7.874 1.00 0.00 C ATOM 732 CG LYS A 48 -6.571 10.367 -6.396 1.00 0.00 C ATOM 733 CD LYS A 48 -6.783 11.823 -6.022 1.00 0.00 C ATOM 734 CE LYS A 48 -5.750 12.720 -6.686 1.00 0.00 C ATOM 735 NZ LYS A 48 -5.995 14.156 -6.390 1.00 0.00 N ATOM 0 H LYS A 48 -7.140 7.926 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.723 8.612 -9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.415 10.934 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.933 10.165 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.221 9.736 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.545 10.078 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.784 12.135 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.723 11.935 -4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.753 12.443 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.771 12.562 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.271 14.736 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.936 14.427 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.950 14.311 -5.363 1.00 0.00 H new ATOM 749 N ASP A 49 -4.084 8.681 -7.433 1.00 0.00 N ATOM 750 CA ASP A 49 -2.624 8.761 -7.465 1.00 0.00 C ATOM 751 C ASP A 49 -2.002 7.482 -8.006 1.00 0.00 C ATOM 752 O ASP A 49 -1.219 7.519 -8.954 1.00 0.00 O ATOM 753 CB ASP A 49 -2.062 9.068 -6.075 1.00 0.00 C ATOM 754 CG ASP A 49 -2.490 10.427 -5.572 1.00 0.00 C ATOM 755 OD1 ASP A 49 -3.662 10.583 -5.181 1.00 0.00 O ATOM 756 OD2 ASP A 49 -1.654 11.349 -5.580 1.00 0.00 O ATOM 0 H ASP A 49 -4.481 8.497 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.363 9.576 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.394 8.302 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.973 9.021 -6.107 1.00 0.00 H new ATOM 761 N GLY A 50 -2.349 6.354 -7.403 1.00 0.00 N ATOM 762 CA GLY A 50 -1.807 5.085 -7.847 1.00 0.00 C ATOM 763 C GLY A 50 -0.444 4.783 -7.256 1.00 0.00 C ATOM 764 O GLY A 50 0.199 3.809 -7.642 1.00 0.00 O ATOM 0 H GLY A 50 -2.995 6.294 -6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.499 4.287 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.733 5.089 -8.934 1.00 0.00 H new ATOM 768 N LYS A 51 0.000 5.609 -6.317 1.00 0.00 N ATOM 769 CA LYS A 51 1.292 5.408 -5.675 1.00 0.00 C ATOM 770 C LYS A 51 1.198 4.348 -4.595 1.00 0.00 C ATOM 771 O LYS A 51 0.465 4.513 -3.624 1.00 0.00 O ATOM 772 CB LYS A 51 1.795 6.715 -5.107 1.00 0.00 C ATOM 773 CG LYS A 51 2.288 7.634 -6.192 1.00 0.00 C ATOM 774 CD LYS A 51 2.362 9.059 -5.727 1.00 0.00 C ATOM 775 CE LYS A 51 3.472 9.280 -4.710 1.00 0.00 C ATOM 776 NZ LYS A 51 4.807 8.894 -5.244 1.00 0.00 N ATOM 0 H LYS A 51 -0.515 6.424 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 51 2.003 5.057 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.995 7.203 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.601 6.519 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.274 7.308 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.624 7.567 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.524 9.711 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.407 9.345 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.490 10.329 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.260 8.700 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.162 8.066 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.723 8.660 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.470 9.686 -5.127 1.00 0.00 H new ATOM 790 N TYR A 52 1.917 3.246 -4.772 1.00 0.00 N ATOM 791 CA TYR A 52 1.883 2.161 -3.820 1.00 0.00 C ATOM 792 C TYR A 52 3.225 1.460 -3.757 1.00 0.00 C ATOM 793 O TYR A 52 4.127 1.726 -4.553 1.00 0.00 O ATOM 794 CB TYR A 52 0.812 1.148 -4.236 1.00 0.00 C ATOM 795 CG TYR A 52 1.216 0.304 -5.436 1.00 0.00 C ATOM 796 CD1 TYR A 52 0.998 0.747 -6.736 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.835 -0.932 -5.263 1.00 0.00 C ATOM 798 CE1 TYR A 52 1.382 -0.016 -7.824 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.222 -1.697 -6.346 1.00 0.00 C ATOM 800 CZ TYR A 52 1.991 -1.237 -7.623 1.00 0.00 C ATOM 801 OH TYR A 52 2.371 -1.998 -8.703 1.00 0.00 O ATOM 0 H TYR A 52 2.530 3.087 -5.571 1.00 0.00 H new ATOM 0 HA TYR A 52 1.651 2.572 -2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.597 0.490 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.111 1.680 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.521 1.702 -6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.016 -1.299 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.206 0.343 -8.827 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.703 -2.651 -6.192 1.00 0.00 H new ATOM 0 HH TYR A 52 2.786 -2.828 -8.388 1.00 0.00 H new ATOM 811 N GLY A 53 3.327 0.539 -2.825 1.00 0.00 N ATOM 812 CA GLY A 53 4.524 -0.237 -2.669 1.00 0.00 C ATOM 813 C GLY A 53 4.292 -1.390 -1.733 1.00 0.00 C ATOM 814 O GLY A 53 3.290 -1.416 -1.013 1.00 0.00 O ATOM 0 H GLY A 53 2.586 0.312 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.850 -0.610 -3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.325 0.394 -2.285 1.00 0.00 H new ATOM 818 N PHE A 54 5.189 -2.353 -1.745 1.00 0.00 N ATOM 819 CA PHE A 54 5.034 -3.514 -0.889 1.00 0.00 C ATOM 820 C PHE A 54 5.642 -3.245 0.478 1.00 0.00 C ATOM 821 O PHE A 54 6.619 -2.505 0.600 1.00 0.00 O ATOM 822 CB PHE A 54 5.651 -4.749 -1.545 1.00 0.00 C ATOM 823 CG PHE A 54 4.989 -5.121 -2.845 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.761 -4.579 -3.193 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.599 -6.003 -3.719 1.00 0.00 C ATOM 826 CE1 PHE A 54 3.158 -4.906 -4.389 1.00 0.00 C ATOM 827 CE2 PHE A 54 5.001 -6.332 -4.920 1.00 0.00 C ATOM 828 CZ PHE A 54 3.778 -5.784 -5.254 1.00 0.00 C ATOM 0 H PHE A 54 6.025 -2.358 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 54 3.971 -3.712 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.711 -4.567 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.583 -5.591 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.271 -3.892 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.553 -6.439 -3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.202 -4.476 -4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.489 -7.017 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.308 -6.042 -6.191 1.00 0.00 H new ATOM 838 N CYS A 55 5.050 -3.825 1.505 1.00 0.00 N ATOM 839 CA CYS A 55 5.525 -3.621 2.865 1.00 0.00 C ATOM 840 C CYS A 55 6.538 -4.688 3.268 1.00 0.00 C ATOM 841 O CYS A 55 6.339 -5.874 3.011 1.00 0.00 O ATOM 842 CB CYS A 55 4.345 -3.632 3.832 1.00 0.00 C ATOM 843 SG CYS A 55 3.006 -2.495 3.354 1.00 0.00 S ATOM 0 H CYS A 55 4.241 -4.441 1.426 1.00 0.00 H new ATOM 0 HA CYS A 55 6.023 -2.653 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.946 -4.644 3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.699 -3.366 4.828 1.00 0.00 H new ATOM 848 N PRO A 56 7.635 -4.272 3.922 1.00 0.00 N ATOM 849 CA PRO A 56 8.680 -5.156 4.397 1.00 0.00 C ATOM 850 C PRO A 56 8.381 -5.604 5.820 1.00 0.00 C ATOM 851 O PRO A 56 7.214 -5.781 6.152 1.00 0.00 O ATOM 852 CB PRO A 56 9.933 -4.274 4.333 1.00 0.00 C ATOM 853 CG PRO A 56 9.445 -2.853 4.296 1.00 0.00 C ATOM 854 CD PRO A 56 7.936 -2.890 4.278 1.00 0.00 C ATOM 0 HA PRO A 56 8.784 -6.072 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.573 -4.443 5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.527 -4.505 3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.804 -2.302 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.826 -2.340 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.516 -2.625 5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.526 -2.189 3.551 1.00 0.00 H new ATOM 862 N HIS A 57 9.433 -5.763 6.639 1.00 0.00 N ATOM 863 CA HIS A 57 9.341 -6.182 8.058 1.00 0.00 C ATOM 864 C HIS A 57 8.400 -7.374 8.291 1.00 0.00 C ATOM 865 O HIS A 57 8.865 -8.493 8.501 1.00 0.00 O ATOM 866 CB HIS A 57 9.018 -5.000 9.009 1.00 0.00 C ATOM 867 CG HIS A 57 7.952 -4.040 8.554 1.00 0.00 C ATOM 868 ND1 HIS A 57 6.600 -4.312 8.627 1.00 0.00 N ATOM 869 CD2 HIS A 57 8.051 -2.800 8.013 1.00 0.00 C ATOM 870 CE1 HIS A 57 5.919 -3.285 8.153 1.00 0.00 C ATOM 871 NE2 HIS A 57 6.774 -2.356 7.774 1.00 0.00 N ATOM 0 H HIS A 57 10.393 -5.602 6.333 1.00 0.00 H new ATOM 0 HA HIS A 57 10.340 -6.536 8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.717 -5.411 9.973 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.936 -4.436 9.175 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.191 -5.173 8.991 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.965 -2.262 7.808 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.843 -3.217 8.087 1.00 0.00 H new ATOM 879 N GLU A 58 7.095 -7.143 8.240 1.00 0.00 N ATOM 880 CA GLU A 58 6.116 -8.207 8.425 1.00 0.00 C ATOM 881 C GLU A 58 6.114 -9.148 7.216 1.00 0.00 C ATOM 882 O GLU A 58 5.709 -10.307 7.323 1.00 0.00 O ATOM 883 CB GLU A 58 4.713 -7.623 8.648 1.00 0.00 C ATOM 884 CG GLU A 58 4.216 -6.735 7.516 1.00 0.00 C ATOM 885 CD GLU A 58 2.826 -6.200 7.764 1.00 0.00 C ATOM 886 OE1 GLU A 58 2.200 -6.611 8.762 1.00 0.00 O ATOM 887 OE2 GLU A 58 2.351 -5.380 6.959 1.00 0.00 O ATOM 0 H GLU A 58 6.688 -6.223 8.071 1.00 0.00 H new ATOM 0 HA GLU A 58 6.395 -8.777 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.009 -8.443 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.715 -7.046 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.904 -5.900 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.222 -7.302 6.585 1.00 0.00 H new ATOM 894 N ALA A 59 6.567 -8.637 6.069 1.00 0.00 N ATOM 895 CA ALA A 59 6.621 -9.423 4.843 1.00 0.00 C ATOM 896 C ALA A 59 7.780 -8.973 3.959 1.00 0.00 C ATOM 897 O ALA A 59 8.818 -8.556 4.510 1.00 0.00 O ATOM 898 CB ALA A 59 5.308 -9.307 4.083 1.00 0.00 C ATOM 0 H ALA A 59 6.902 -7.679 5.968 1.00 0.00 H new ATOM 0 HA ALA A 59 6.782 -10.466 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.363 -9.899 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.493 -9.676 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.126 -8.263 3.828 1.00 0.00 H new TER 904 ALA A 59