USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 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 180:sc= -0.0575 USER MOD Set 1.2: A 29 THR OG1 : rot 130:sc= 1.1 USER MOD Set 1.3: A 31 THR OG1 : rot 101:sc= 1.21 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.367 K(o=0.37,f=-7.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.303) USER MOD Single : A 21 ASN : amide:sc=-0.000513 X(o=-0.00051,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -99:sc= -0.36 (180deg=-2.14!) USER MOD Single : A 26 ASN : amide:sc=-0.00826 K(o=-0.0083,f=-1.9!) 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 -110:sc= 0.169 USER MOD Single : A 42 THR OG1 : rot -90:sc= -0.0187 USER MOD Single : A 43 THR OG1 : rot 111:sc= -0.0306 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -2.46! C(o=-4.9!,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.263 4.738 10.629 1.00 0.00 N ATOM 2 CA ARG A 1 5.894 4.609 9.199 1.00 0.00 C ATOM 3 C ARG A 1 6.931 3.756 8.467 1.00 0.00 C ATOM 4 O ARG A 1 8.070 4.184 8.283 1.00 0.00 O ATOM 5 CB ARG A 1 5.802 6.017 8.602 1.00 0.00 C ATOM 6 CG ARG A 1 4.858 6.121 7.418 1.00 0.00 C ATOM 7 CD ARG A 1 4.666 7.570 6.989 1.00 0.00 C ATOM 8 NE ARG A 1 3.871 7.686 5.762 1.00 0.00 N ATOM 9 CZ ARG A 1 3.636 8.838 5.137 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.123 9.973 5.623 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.929 8.850 4.013 1.00 0.00 N ATOM 0 H1 ARG A 1 5.553 5.319 11.120 1.00 0.00 H new ATOM 0 H2 ARG A 1 6.299 3.794 11.065 1.00 0.00 H new ATOM 0 H3 ARG A 1 7.196 5.191 10.707 1.00 0.00 H new ATOM 0 HA ARG A 1 4.930 4.111 9.092 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.475 6.709 9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.797 6.335 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.253 5.542 6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.893 5.686 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.176 8.122 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.641 8.033 6.833 1.00 0.00 H new ATOM 0 HE ARG A 1 3.475 6.834 5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.679 9.965 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.941 10.854 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.566 7.977 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.748 9.732 3.533 1.00 0.00 H new ATOM 27 N ILE A 2 6.550 2.534 8.086 1.00 0.00 N ATOM 28 CA ILE A 2 7.475 1.618 7.415 1.00 0.00 C ATOM 29 C ILE A 2 7.977 2.145 6.070 1.00 0.00 C ATOM 30 O ILE A 2 7.261 2.808 5.327 1.00 0.00 O ATOM 31 CB ILE A 2 6.874 0.199 7.226 1.00 0.00 C ATOM 32 CG1 ILE A 2 5.463 0.291 6.638 1.00 0.00 C ATOM 33 CG2 ILE A 2 6.856 -0.601 8.538 1.00 0.00 C ATOM 34 CD1 ILE A 2 4.754 -1.047 6.545 1.00 0.00 C ATOM 0 H ILE A 2 5.613 2.158 8.230 1.00 0.00 H new ATOM 0 HA ILE A 2 8.330 1.549 8.087 1.00 0.00 H new ATOM 0 HB ILE A 2 7.518 -0.336 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.867 0.967 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.521 0.731 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.427 -1.587 8.357 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.874 -0.711 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.254 -0.073 9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.761 -0.904 6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.328 -1.719 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.663 -1.481 7.541 1.00 0.00 H new ATOM 46 N PRO A 3 9.255 1.849 5.799 1.00 0.00 N ATOM 47 CA PRO A 3 10.004 2.272 4.593 1.00 0.00 C ATOM 48 C PRO A 3 9.391 1.926 3.234 1.00 0.00 C ATOM 49 O PRO A 3 9.631 2.646 2.266 1.00 0.00 O ATOM 50 CB PRO A 3 11.343 1.526 4.738 1.00 0.00 C ATOM 51 CG PRO A 3 11.088 0.470 5.753 1.00 0.00 C ATOM 52 CD PRO A 3 10.120 1.086 6.706 1.00 0.00 C ATOM 0 HA PRO A 3 10.044 3.361 4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.658 1.093 3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.137 2.200 5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.675 -0.428 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.008 0.176 6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.564 0.335 7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.615 1.727 7.435 1.00 0.00 H new ATOM 60 N VAL A 4 8.662 0.812 3.141 1.00 0.00 N ATOM 61 CA VAL A 4 8.083 0.368 1.859 1.00 0.00 C ATOM 62 C VAL A 4 9.189 -0.173 0.950 1.00 0.00 C ATOM 63 O VAL A 4 10.358 0.202 1.081 1.00 0.00 O ATOM 64 CB VAL A 4 7.303 1.510 1.147 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.887 1.117 -0.256 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.077 1.887 1.949 1.00 0.00 C ATOM 0 H VAL A 4 8.456 0.200 3.930 1.00 0.00 H new ATOM 0 HA VAL A 4 7.368 -0.426 2.072 1.00 0.00 H new ATOM 0 HB VAL A 4 7.974 2.366 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.345 1.941 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.773 0.888 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.243 0.239 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.541 2.687 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.425 1.019 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.380 2.227 2.939 1.00 0.00 H new ATOM 76 N LYS A 5 8.834 -1.083 0.050 1.00 0.00 N ATOM 77 CA LYS A 5 9.821 -1.675 -0.831 1.00 0.00 C ATOM 78 C LYS A 5 9.489 -1.488 -2.310 1.00 0.00 C ATOM 79 O LYS A 5 9.521 -0.375 -2.835 1.00 0.00 O ATOM 80 CB LYS A 5 9.971 -3.165 -0.520 1.00 0.00 C ATOM 81 CG LYS A 5 11.005 -3.495 0.544 1.00 0.00 C ATOM 82 CD LYS A 5 12.408 -3.048 0.142 1.00 0.00 C ATOM 83 CE LYS A 5 13.383 -3.152 1.307 1.00 0.00 C ATOM 84 NZ LYS A 5 14.712 -2.574 0.982 1.00 0.00 N ATOM 0 H LYS A 5 7.881 -1.421 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 5 10.761 -1.154 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.004 -3.554 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.236 -3.688 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.726 -3.013 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.006 -4.570 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.763 -3.661 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.375 -2.019 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.967 -2.637 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.503 -4.199 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.342 -2.667 1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.123 -3.081 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.604 -1.568 0.742 1.00 0.00 H new ATOM 98 N TYR A 6 9.225 -2.605 -2.978 1.00 0.00 N ATOM 99 CA TYR A 6 8.946 -2.621 -4.407 1.00 0.00 C ATOM 100 C TYR A 6 7.641 -1.906 -4.755 1.00 0.00 C ATOM 101 O TYR A 6 6.734 -1.801 -3.932 1.00 0.00 O ATOM 102 CB TYR A 6 8.946 -4.069 -4.913 1.00 0.00 C ATOM 103 CG TYR A 6 10.115 -4.867 -4.363 1.00 0.00 C ATOM 104 CD1 TYR A 6 10.013 -5.554 -3.160 1.00 0.00 C ATOM 105 CD2 TYR A 6 11.338 -4.893 -5.024 1.00 0.00 C ATOM 106 CE1 TYR A 6 11.082 -6.245 -2.638 1.00 0.00 C ATOM 107 CE2 TYR A 6 12.411 -5.587 -4.507 1.00 0.00 C ATOM 108 CZ TYR A 6 12.277 -6.258 -3.313 1.00 0.00 C ATOM 109 OH TYR A 6 13.346 -6.947 -2.794 1.00 0.00 O ATOM 0 H TYR A 6 9.199 -3.527 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 6 9.736 -2.066 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.012 -4.552 -4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.986 -4.072 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.076 -5.546 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.449 -4.361 -5.957 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.981 -6.774 -1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.352 -5.604 -5.036 1.00 0.00 H new ATOM 0 HH TYR A 6 14.116 -6.857 -3.394 1.00 0.00 H new ATOM 119 N GLY A 7 7.589 -1.395 -5.981 1.00 0.00 N ATOM 120 CA GLY A 7 6.443 -0.650 -6.472 1.00 0.00 C ATOM 121 C GLY A 7 6.897 0.674 -7.021 1.00 0.00 C ATOM 122 O GLY A 7 8.013 0.776 -7.536 1.00 0.00 O ATOM 0 H GLY A 7 8.344 -1.488 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.932 -1.220 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.726 -0.494 -5.666 1.00 0.00 H new ATOM 126 N ASN A 8 6.073 1.695 -6.916 1.00 0.00 N ATOM 127 CA ASN A 8 6.477 3.003 -7.418 1.00 0.00 C ATOM 128 C ASN A 8 6.552 4.042 -6.298 1.00 0.00 C ATOM 129 O ASN A 8 6.607 5.248 -6.553 1.00 0.00 O ATOM 130 CB ASN A 8 5.568 3.477 -8.556 1.00 0.00 C ATOM 131 CG ASN A 8 4.163 3.818 -8.113 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.597 3.175 -7.230 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.576 4.817 -8.754 1.00 0.00 N ATOM 0 H ASN A 8 5.142 1.655 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 8 7.482 2.891 -7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.015 4.354 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.520 2.699 -9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.618 5.079 -8.522 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.082 5.324 -9.480 1.00 0.00 H new ATOM 140 N ALA A 9 6.586 3.561 -5.060 1.00 0.00 N ATOM 141 CA ALA A 9 6.693 4.418 -3.884 1.00 0.00 C ATOM 142 C ALA A 9 8.116 4.391 -3.349 1.00 0.00 C ATOM 143 O ALA A 9 8.332 4.197 -2.152 1.00 0.00 O ATOM 144 CB ALA A 9 5.754 3.948 -2.797 1.00 0.00 C ATOM 0 H ALA A 9 6.540 2.565 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 9 6.426 5.433 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.848 4.599 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.728 3.979 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.008 2.926 -2.514 1.00 0.00 H new ATOM 150 N ASP A 10 9.084 4.560 -4.239 1.00 0.00 N ATOM 151 CA ASP A 10 10.489 4.532 -3.848 1.00 0.00 C ATOM 152 C ASP A 10 10.873 5.830 -3.144 1.00 0.00 C ATOM 153 O ASP A 10 11.082 6.864 -3.787 1.00 0.00 O ATOM 154 CB ASP A 10 11.385 4.314 -5.069 1.00 0.00 C ATOM 155 CG ASP A 10 12.801 3.939 -4.687 1.00 0.00 C ATOM 156 OD1 ASP A 10 13.077 3.784 -3.481 1.00 0.00 O ATOM 157 OD2 ASP A 10 13.633 3.781 -5.598 1.00 0.00 O ATOM 0 H ASP A 10 8.924 4.718 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 10 10.633 3.701 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.960 3.528 -5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.403 5.223 -5.670 1.00 0.00 H new ATOM 162 N GLY A 11 10.959 5.764 -1.822 1.00 0.00 N ATOM 163 CA GLY A 11 11.312 6.926 -1.032 1.00 0.00 C ATOM 164 C GLY A 11 10.259 7.251 0.006 1.00 0.00 C ATOM 165 O GLY A 11 10.582 7.725 1.097 1.00 0.00 O ATOM 0 H GLY A 11 10.789 4.918 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.267 6.750 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.448 7.784 -1.691 1.00 0.00 H new ATOM 169 N GLU A 12 8.999 7.007 -0.331 1.00 0.00 N ATOM 170 CA GLU A 12 7.899 7.284 0.582 1.00 0.00 C ATOM 171 C GLU A 12 7.576 6.077 1.460 1.00 0.00 C ATOM 172 O GLU A 12 8.072 4.974 1.228 1.00 0.00 O ATOM 173 CB GLU A 12 6.652 7.700 -0.195 1.00 0.00 C ATOM 174 CG GLU A 12 6.804 9.010 -0.955 1.00 0.00 C ATOM 175 CD GLU A 12 7.363 8.843 -2.353 1.00 0.00 C ATOM 176 OE1 GLU A 12 7.587 7.695 -2.787 1.00 0.00 O ATOM 177 OE2 GLU A 12 7.575 9.870 -3.023 1.00 0.00 O ATOM 0 H GLU A 12 8.714 6.618 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 12 8.214 8.102 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.396 6.910 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.817 7.790 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.831 9.498 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.457 9.674 -0.389 1.00 0.00 H new ATOM 184 N TYR A 13 6.735 6.296 2.471 1.00 0.00 N ATOM 185 CA TYR A 13 6.333 5.233 3.390 1.00 0.00 C ATOM 186 C TYR A 13 4.836 4.954 3.259 1.00 0.00 C ATOM 187 O TYR A 13 4.163 5.531 2.404 1.00 0.00 O ATOM 188 CB TYR A 13 6.692 5.601 4.830 1.00 0.00 C ATOM 189 CG TYR A 13 8.017 6.309 4.981 1.00 0.00 C ATOM 190 CD1 TYR A 13 9.208 5.678 4.652 1.00 0.00 C ATOM 191 CD2 TYR A 13 8.076 7.611 5.458 1.00 0.00 C ATOM 192 CE1 TYR A 13 10.419 6.323 4.794 1.00 0.00 C ATOM 193 CE2 TYR A 13 9.283 8.264 5.601 1.00 0.00 C ATOM 194 CZ TYR A 13 10.451 7.616 5.269 1.00 0.00 C ATOM 195 OH TYR A 13 11.657 8.265 5.412 1.00 0.00 O ATOM 0 H TYR A 13 6.318 7.204 2.674 1.00 0.00 H new ATOM 0 HA TYR A 13 6.876 4.325 3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.906 6.237 5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.709 4.692 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.187 4.665 4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.162 8.122 5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.337 5.817 4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.311 9.278 5.971 1.00 0.00 H new ATOM 0 HH TYR A 13 11.503 9.169 5.757 1.00 0.00 H new ATOM 205 N CYS A 14 4.314 4.061 4.095 1.00 0.00 N ATOM 206 CA CYS A 14 2.899 3.701 4.041 1.00 0.00 C ATOM 207 C CYS A 14 2.006 4.797 4.603 1.00 0.00 C ATOM 208 O CYS A 14 2.306 5.383 5.639 1.00 0.00 O ATOM 209 CB CYS A 14 2.651 2.406 4.811 1.00 0.00 C ATOM 210 SG CYS A 14 3.362 0.919 4.035 1.00 0.00 S ATOM 0 H CYS A 14 4.847 3.574 4.816 1.00 0.00 H new ATOM 0 HA CYS A 14 2.646 3.564 2.990 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.064 2.510 5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.576 2.264 4.922 1.00 0.00 H new ATOM 215 N LYS A 15 0.896 5.055 3.924 1.00 0.00 N ATOM 216 CA LYS A 15 -0.058 6.060 4.370 1.00 0.00 C ATOM 217 C LYS A 15 -1.162 5.391 5.162 1.00 0.00 C ATOM 218 O LYS A 15 -1.983 4.665 4.605 1.00 0.00 O ATOM 219 CB LYS A 15 -0.653 6.813 3.179 1.00 0.00 C ATOM 220 CG LYS A 15 -0.292 8.290 3.146 1.00 0.00 C ATOM 221 CD LYS A 15 -0.939 9.073 4.274 1.00 0.00 C ATOM 222 CE LYS A 15 -2.452 9.132 4.128 1.00 0.00 C ATOM 223 NZ LYS A 15 -3.019 10.317 4.828 1.00 0.00 N ATOM 0 H LYS A 15 0.634 4.580 3.060 1.00 0.00 H new ATOM 0 HA LYS A 15 0.462 6.780 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.311 6.344 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.738 6.714 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.791 8.397 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.600 8.714 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.684 8.613 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.536 10.086 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.716 9.171 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.894 8.222 4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.024 10.149 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.503 10.475 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.927 11.156 4.220 1.00 0.00 H new ATOM 237 N PHE A 16 -1.166 5.620 6.461 1.00 0.00 N ATOM 238 CA PHE A 16 -2.162 5.024 7.339 1.00 0.00 C ATOM 239 C PHE A 16 -3.026 6.103 7.976 1.00 0.00 C ATOM 240 O PHE A 16 -2.531 6.938 8.737 1.00 0.00 O ATOM 241 CB PHE A 16 -1.482 4.181 8.427 1.00 0.00 C ATOM 242 CG PHE A 16 -0.747 2.970 7.907 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.019 2.451 6.652 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.210 2.345 8.686 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.348 1.337 6.183 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.886 1.230 8.226 1.00 0.00 C ATOM 247 CZ PHE A 16 0.609 0.719 6.972 1.00 0.00 C ATOM 0 H PHE A 16 -0.489 6.217 6.936 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.801 4.374 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.779 4.811 8.972 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.237 3.854 9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.766 2.923 6.031 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.433 2.734 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.570 0.948 5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.632 0.757 8.848 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.133 -0.153 6.611 1.00 0.00 H new ATOM 257 N PRO A 17 -4.333 6.108 7.673 1.00 0.00 N ATOM 258 CA PRO A 17 -4.955 5.141 6.781 1.00 0.00 C ATOM 259 C PRO A 17 -5.006 5.614 5.330 1.00 0.00 C ATOM 260 O PRO A 17 -4.904 6.812 5.046 1.00 0.00 O ATOM 261 CB PRO A 17 -6.378 5.026 7.344 1.00 0.00 C ATOM 262 CG PRO A 17 -6.600 6.254 8.192 1.00 0.00 C ATOM 263 CD PRO A 17 -5.322 7.057 8.187 1.00 0.00 C ATOM 0 HA PRO A 17 -4.399 4.204 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.111 4.972 6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.489 4.119 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.425 6.847 7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.869 5.972 9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.403 7.939 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.063 7.407 9.186 1.00 0.00 H new ATOM 271 N PHE A 18 -5.187 4.670 4.418 1.00 0.00 N ATOM 272 CA PHE A 18 -5.283 4.996 3.006 1.00 0.00 C ATOM 273 C PHE A 18 -6.623 4.517 2.461 1.00 0.00 C ATOM 274 O PHE A 18 -7.159 3.502 2.907 1.00 0.00 O ATOM 275 CB PHE A 18 -4.100 4.411 2.212 1.00 0.00 C ATOM 276 CG PHE A 18 -4.051 2.903 2.124 1.00 0.00 C ATOM 277 CD1 PHE A 18 -4.842 2.216 1.212 1.00 0.00 C ATOM 278 CD2 PHE A 18 -3.202 2.178 2.941 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.791 0.841 1.120 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.145 0.795 2.854 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.938 0.124 1.944 1.00 0.00 C ATOM 0 H PHE A 18 -5.270 3.676 4.631 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.230 6.078 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.131 4.815 1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.173 4.760 2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.508 2.768 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.577 2.695 3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.415 0.323 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.479 0.242 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.894 -0.953 1.875 1.00 0.00 H new ATOM 291 N LEU A 19 -7.177 5.273 1.524 1.00 0.00 N ATOM 292 CA LEU A 19 -8.472 4.949 0.943 1.00 0.00 C ATOM 293 C LEU A 19 -8.349 3.992 -0.240 1.00 0.00 C ATOM 294 O LEU A 19 -7.741 4.315 -1.266 1.00 0.00 O ATOM 295 CB LEU A 19 -9.182 6.228 0.497 1.00 0.00 C ATOM 296 CG LEU A 19 -10.645 6.043 0.088 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.501 5.698 1.294 1.00 0.00 C ATOM 298 CD2 LEU A 19 -11.167 7.287 -0.609 1.00 0.00 C ATOM 0 H LEU A 19 -6.748 6.119 1.149 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.057 4.449 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.136 6.954 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.636 6.655 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.702 5.212 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.537 5.571 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.141 4.772 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.440 6.503 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.209 7.136 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.095 8.140 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.573 7.480 -1.502 1.00 0.00 H new ATOM 310 N PHE A 20 -8.957 2.822 -0.095 1.00 0.00 N ATOM 311 CA PHE A 20 -8.951 1.814 -1.145 1.00 0.00 C ATOM 312 C PHE A 20 -10.375 1.388 -1.459 1.00 0.00 C ATOM 313 O PHE A 20 -10.974 0.618 -0.707 1.00 0.00 O ATOM 314 CB PHE A 20 -8.167 0.580 -0.721 1.00 0.00 C ATOM 315 CG PHE A 20 -7.802 -0.322 -1.860 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.175 0.157 -2.999 1.00 0.00 C ATOM 317 CD2 PHE A 20 -8.087 -1.667 -1.771 1.00 0.00 C ATOM 318 CE1 PHE A 20 -6.844 -0.706 -4.029 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.762 -2.533 -2.793 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.137 -2.053 -3.925 1.00 0.00 C ATOM 0 H PHE A 20 -9.464 2.547 0.746 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.479 2.255 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.256 0.896 -0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.756 0.017 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.944 1.209 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.573 -2.049 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.356 -0.327 -4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.996 -3.584 -2.708 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.877 -2.727 -4.728 1.00 0.00 H new ATOM 330 N ASN A 21 -10.901 1.885 -2.572 1.00 0.00 N ATOM 331 CA ASN A 21 -12.258 1.564 -3.030 1.00 0.00 C ATOM 332 C ASN A 21 -13.335 1.871 -1.984 1.00 0.00 C ATOM 333 O ASN A 21 -14.428 1.303 -2.028 1.00 0.00 O ATOM 334 CB ASN A 21 -12.351 0.093 -3.449 1.00 0.00 C ATOM 335 CG ASN A 21 -11.417 -0.252 -4.591 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.466 0.361 -5.660 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.560 -1.238 -4.373 1.00 0.00 N ATOM 0 H ASN A 21 -10.401 2.525 -3.189 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.450 2.208 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.119 -0.540 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.376 -0.132 -3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.906 -1.517 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.554 -1.719 -3.473 1.00 0.00 H new ATOM 344 N GLY A 22 -13.042 2.776 -1.058 1.00 0.00 N ATOM 345 CA GLY A 22 -14.026 3.132 -0.051 1.00 0.00 C ATOM 346 C GLY A 22 -13.698 2.640 1.345 1.00 0.00 C ATOM 347 O GLY A 22 -14.494 2.825 2.269 1.00 0.00 O ATOM 0 H GLY A 22 -12.150 3.266 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.127 4.217 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.994 2.728 -0.347 1.00 0.00 H new ATOM 351 N LYS A 23 -12.542 2.018 1.519 1.00 0.00 N ATOM 352 CA LYS A 23 -12.148 1.520 2.834 1.00 0.00 C ATOM 353 C LYS A 23 -10.775 2.068 3.218 1.00 0.00 C ATOM 354 O LYS A 23 -9.872 2.123 2.387 1.00 0.00 O ATOM 355 CB LYS A 23 -12.138 -0.013 2.851 1.00 0.00 C ATOM 356 CG LYS A 23 -11.803 -0.603 4.214 1.00 0.00 C ATOM 357 CD LYS A 23 -11.757 -2.122 4.204 1.00 0.00 C ATOM 358 CE LYS A 23 -13.147 -2.730 4.269 1.00 0.00 C ATOM 359 NZ LYS A 23 -13.814 -2.772 2.937 1.00 0.00 N ATOM 0 H LYS A 23 -11.864 1.846 0.776 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.878 1.865 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.115 -0.378 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.413 -0.372 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.839 -0.217 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.545 -0.271 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.253 -2.464 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.167 -2.473 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.079 -3.741 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.760 -2.153 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.469 -1.969 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.096 -2.714 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.343 -3.662 2.842 1.00 0.00 H new ATOM 373 N GLU A 24 -10.631 2.479 4.474 1.00 0.00 N ATOM 374 CA GLU A 24 -9.373 3.032 4.964 1.00 0.00 C ATOM 375 C GLU A 24 -8.571 1.969 5.712 1.00 0.00 C ATOM 376 O GLU A 24 -9.045 1.411 6.702 1.00 0.00 O ATOM 377 CB GLU A 24 -9.666 4.224 5.878 1.00 0.00 C ATOM 378 CG GLU A 24 -10.406 5.355 5.187 1.00 0.00 C ATOM 379 CD GLU A 24 -10.775 6.474 6.130 1.00 0.00 C ATOM 380 OE1 GLU A 24 -10.606 6.307 7.351 1.00 0.00 O ATOM 381 OE2 GLU A 24 -11.259 7.518 5.654 1.00 0.00 O ATOM 0 H GLU A 24 -11.373 2.439 5.173 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.776 3.366 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.256 3.882 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.725 4.606 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.785 5.752 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.312 4.962 4.725 1.00 0.00 H new ATOM 388 N TYR A 25 -7.360 1.683 5.236 1.00 0.00 N ATOM 389 CA TYR A 25 -6.512 0.675 5.871 1.00 0.00 C ATOM 390 C TYR A 25 -5.386 1.312 6.666 1.00 0.00 C ATOM 391 O TYR A 25 -4.734 2.246 6.202 1.00 0.00 O ATOM 392 CB TYR A 25 -5.888 -0.269 4.839 1.00 0.00 C ATOM 393 CG TYR A 25 -6.873 -1.038 3.993 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.605 -0.400 3.004 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.057 -2.401 4.175 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.497 -1.099 2.215 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.951 -3.108 3.388 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.665 -2.450 2.410 1.00 0.00 C ATOM 399 OH TYR A 25 -9.550 -3.143 1.620 1.00 0.00 O ATOM 0 H TYR A 25 -6.946 2.131 4.419 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.163 0.112 6.540 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.244 0.314 4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.249 -0.981 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.476 0.661 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.496 -2.917 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.060 -0.587 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.088 -4.168 3.540 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.553 -4.087 1.882 1.00 0.00 H new ATOM 409 N ASN A 26 -5.136 0.769 7.847 1.00 0.00 N ATOM 410 CA ASN A 26 -4.057 1.246 8.704 1.00 0.00 C ATOM 411 C ASN A 26 -2.968 0.188 8.770 1.00 0.00 C ATOM 412 O ASN A 26 -2.131 0.186 9.676 1.00 0.00 O ATOM 413 CB ASN A 26 -4.575 1.549 10.108 1.00 0.00 C ATOM 414 CG ASN A 26 -5.289 2.877 10.193 1.00 0.00 C ATOM 415 OD1 ASN A 26 -4.668 3.938 10.126 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.601 2.826 10.331 1.00 0.00 N ATOM 0 H ASN A 26 -5.669 -0.008 8.238 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.652 2.167 8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.255 0.755 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.739 1.545 10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.142 3.689 10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.074 1.924 10.382 1.00 0.00 H new ATOM 423 N SER A 27 -3.006 -0.721 7.803 1.00 0.00 N ATOM 424 CA SER A 27 -2.054 -1.817 7.717 1.00 0.00 C ATOM 425 C SER A 27 -1.984 -2.338 6.290 1.00 0.00 C ATOM 426 O SER A 27 -2.868 -2.050 5.478 1.00 0.00 O ATOM 427 CB SER A 27 -2.478 -2.941 8.667 1.00 0.00 C ATOM 428 OG SER A 27 -3.865 -3.229 8.528 1.00 0.00 O ATOM 0 H SER A 27 -3.700 -0.717 7.056 1.00 0.00 H new ATOM 0 HA SER A 27 -1.067 -1.457 8.006 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.894 -3.838 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.264 -2.653 9.696 1.00 0.00 H new ATOM 0 HG SER A 27 -4.112 -3.951 9.143 1.00 0.00 H new ATOM 434 N CYS A 28 -0.947 -3.111 5.984 1.00 0.00 N ATOM 435 CA CYS A 28 -0.796 -3.681 4.646 1.00 0.00 C ATOM 436 C CYS A 28 -1.933 -4.656 4.363 1.00 0.00 C ATOM 437 O CYS A 28 -2.303 -5.450 5.228 1.00 0.00 O ATOM 438 CB CYS A 28 0.529 -4.432 4.494 1.00 0.00 C ATOM 439 SG CYS A 28 2.034 -3.414 4.598 1.00 0.00 S ATOM 0 H CYS A 28 -0.203 -3.357 6.637 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.814 -2.851 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.579 -5.201 5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.526 -4.945 3.532 1.00 0.00 H new ATOM 444 N THR A 29 -2.469 -4.608 3.156 1.00 0.00 N ATOM 445 CA THR A 29 -3.545 -5.497 2.773 1.00 0.00 C ATOM 446 C THR A 29 -3.184 -6.211 1.481 1.00 0.00 C ATOM 447 O THR A 29 -2.359 -5.718 0.717 1.00 0.00 O ATOM 448 CB THR A 29 -4.858 -4.711 2.619 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.938 -5.589 2.362 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.853 -3.661 1.512 1.00 0.00 C ATOM 0 H THR A 29 -2.174 -3.961 2.425 1.00 0.00 H new ATOM 0 HA THR A 29 -3.690 -6.243 3.554 1.00 0.00 H new ATOM 0 HB THR A 29 -4.969 -4.189 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.675 -5.389 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.821 -3.160 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.071 -2.928 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.664 -4.144 0.553 1.00 0.00 H new ATOM 458 N ASP A 30 -3.796 -7.364 1.228 1.00 0.00 N ATOM 459 CA ASP A 30 -3.515 -8.099 0.002 1.00 0.00 C ATOM 460 C ASP A 30 -4.638 -7.867 -0.987 1.00 0.00 C ATOM 461 O ASP A 30 -4.690 -8.485 -2.048 1.00 0.00 O ATOM 462 CB ASP A 30 -3.366 -9.594 0.239 1.00 0.00 C ATOM 463 CG ASP A 30 -3.305 -9.990 1.692 1.00 0.00 C ATOM 464 OD1 ASP A 30 -2.357 -9.583 2.386 1.00 0.00 O ATOM 465 OD2 ASP A 30 -4.217 -10.706 2.144 1.00 0.00 O ATOM 0 H ASP A 30 -4.479 -7.803 1.845 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.566 -7.730 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.204 -10.109 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.460 -9.940 -0.258 1.00 0.00 H new ATOM 470 N THR A 31 -5.552 -6.985 -0.606 1.00 0.00 N ATOM 471 CA THR A 31 -6.709 -6.655 -1.427 1.00 0.00 C ATOM 472 C THR A 31 -6.264 -6.074 -2.754 1.00 0.00 C ATOM 473 O THR A 31 -5.379 -5.217 -2.804 1.00 0.00 O ATOM 474 CB THR A 31 -7.601 -5.665 -0.682 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.870 -6.138 0.625 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.932 -5.405 -1.353 1.00 0.00 C ATOM 0 H THR A 31 -5.513 -6.479 0.279 1.00 0.00 H new ATOM 0 HA THR A 31 -7.277 -7.564 -1.626 1.00 0.00 H new ATOM 0 HB THR A 31 -7.041 -4.730 -0.672 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.290 -5.676 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.505 -4.691 -0.761 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.763 -4.997 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.488 -6.339 -1.433 1.00 0.00 H new ATOM 484 N GLY A 32 -6.866 -6.560 -3.822 1.00 0.00 N ATOM 485 CA GLY A 32 -6.519 -6.105 -5.145 1.00 0.00 C ATOM 486 C GLY A 32 -5.389 -6.923 -5.730 1.00 0.00 C ATOM 487 O GLY A 32 -5.213 -6.997 -6.945 1.00 0.00 O ATOM 0 H GLY A 32 -7.598 -7.270 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.392 -6.170 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.228 -5.055 -5.106 1.00 0.00 H new ATOM 491 N ARG A 33 -4.622 -7.546 -4.846 1.00 0.00 N ATOM 492 CA ARG A 33 -3.500 -8.380 -5.237 1.00 0.00 C ATOM 493 C ARG A 33 -3.895 -9.848 -5.172 1.00 0.00 C ATOM 494 O ARG A 33 -4.119 -10.387 -4.090 1.00 0.00 O ATOM 495 CB ARG A 33 -2.310 -8.129 -4.307 1.00 0.00 C ATOM 496 CG ARG A 33 -1.806 -6.692 -4.312 1.00 0.00 C ATOM 497 CD ARG A 33 -1.374 -6.240 -5.700 1.00 0.00 C ATOM 498 NE ARG A 33 -0.303 -7.071 -6.247 1.00 0.00 N ATOM 499 CZ ARG A 33 0.543 -6.657 -7.185 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.485 -5.413 -7.639 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.446 -7.497 -7.673 1.00 0.00 N ATOM 0 H ARG A 33 -4.762 -7.486 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.216 -8.128 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.595 -8.399 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.492 -8.790 -4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.592 -6.032 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.966 -6.601 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.232 -6.268 -6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.039 -5.204 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.199 -8.021 -5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.212 -4.767 -7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.137 -5.102 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.489 -8.456 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.097 -7.184 -8.393 1.00 0.00 H new ATOM 515 N SER A 34 -3.969 -10.499 -6.320 1.00 0.00 N ATOM 516 CA SER A 34 -4.325 -11.914 -6.365 1.00 0.00 C ATOM 517 C SER A 34 -3.113 -12.774 -6.019 1.00 0.00 C ATOM 518 O SER A 34 -3.195 -14.001 -5.975 1.00 0.00 O ATOM 519 CB SER A 34 -4.873 -12.287 -7.745 1.00 0.00 C ATOM 520 OG SER A 34 -5.966 -11.450 -8.102 1.00 0.00 O ATOM 0 H SER A 34 -3.789 -10.077 -7.231 1.00 0.00 H new ATOM 0 HA SER A 34 -5.105 -12.100 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.083 -12.197 -8.490 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.193 -13.329 -7.744 1.00 0.00 H new ATOM 0 HG SER A 34 -6.298 -11.706 -8.988 1.00 0.00 H new ATOM 526 N ASP A 35 -1.984 -12.111 -5.777 1.00 0.00 N ATOM 527 CA ASP A 35 -0.748 -12.787 -5.435 1.00 0.00 C ATOM 528 C ASP A 35 -0.577 -12.899 -3.934 1.00 0.00 C ATOM 529 O ASP A 35 0.357 -13.536 -3.449 1.00 0.00 O ATOM 530 CB ASP A 35 0.449 -12.047 -6.017 1.00 0.00 C ATOM 531 CG ASP A 35 0.098 -10.993 -7.043 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.483 -9.955 -6.663 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.413 -11.198 -8.230 1.00 0.00 O ATOM 0 H ASP A 35 -1.907 -11.095 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.801 -13.789 -5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.999 -11.574 -5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.121 -12.773 -6.476 1.00 0.00 H new ATOM 538 N GLY A 36 -1.481 -12.268 -3.207 1.00 0.00 N ATOM 539 CA GLY A 36 -1.420 -12.289 -1.759 1.00 0.00 C ATOM 540 C GLY A 36 -0.282 -11.447 -1.223 1.00 0.00 C ATOM 541 O GLY A 36 0.177 -11.656 -0.098 1.00 0.00 O ATOM 0 H GLY A 36 -2.262 -11.738 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.363 -11.924 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.302 -13.317 -1.417 1.00 0.00 H new ATOM 545 N PHE A 37 0.177 -10.492 -2.024 1.00 0.00 N ATOM 546 CA PHE A 37 1.273 -9.618 -1.619 1.00 0.00 C ATOM 547 C PHE A 37 0.770 -8.499 -0.716 1.00 0.00 C ATOM 548 O PHE A 37 -0.245 -7.860 -1.008 1.00 0.00 O ATOM 549 CB PHE A 37 1.957 -8.990 -2.839 1.00 0.00 C ATOM 550 CG PHE A 37 2.812 -9.917 -3.654 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.035 -11.225 -3.264 1.00 0.00 C ATOM 552 CD2 PHE A 37 3.398 -9.465 -4.827 1.00 0.00 C ATOM 553 CE1 PHE A 37 3.825 -12.063 -4.026 1.00 0.00 C ATOM 554 CE2 PHE A 37 4.188 -10.296 -5.591 1.00 0.00 C ATOM 555 CZ PHE A 37 4.402 -11.599 -5.191 1.00 0.00 C ATOM 0 H PHE A 37 -0.192 -10.303 -2.956 1.00 0.00 H new ATOM 0 HA PHE A 37 1.990 -10.234 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.188 -8.570 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.576 -8.160 -2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.587 -11.595 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.233 -8.447 -5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.992 -13.082 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.639 -9.928 -6.501 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.019 -12.254 -5.788 1.00 0.00 H new ATOM 565 N LEU A 38 1.498 -8.248 0.362 1.00 0.00 N ATOM 566 CA LEU A 38 1.143 -7.186 1.297 1.00 0.00 C ATOM 567 C LEU A 38 1.593 -5.837 0.755 1.00 0.00 C ATOM 568 O LEU A 38 2.782 -5.628 0.506 1.00 0.00 O ATOM 569 CB LEU A 38 1.804 -7.435 2.649 1.00 0.00 C ATOM 570 CG LEU A 38 1.200 -8.556 3.492 1.00 0.00 C ATOM 571 CD1 LEU A 38 2.093 -8.860 4.683 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.191 -8.174 3.966 1.00 0.00 C ATOM 0 H LEU A 38 2.340 -8.766 0.613 1.00 0.00 H new ATOM 0 HA LEU A 38 0.060 -7.181 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.857 -7.661 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.765 -6.511 3.226 1.00 0.00 H new ATOM 0 HG LEU A 38 1.124 -9.450 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.650 -9.661 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.076 -9.171 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.194 -7.967 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.606 -8.984 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.134 -7.268 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.833 -7.995 3.103 1.00 0.00 H new ATOM 584 N TRP A 39 0.659 -4.915 0.568 1.00 0.00 N ATOM 585 CA TRP A 39 1.011 -3.600 0.050 1.00 0.00 C ATOM 586 C TRP A 39 0.297 -2.492 0.807 1.00 0.00 C ATOM 587 O TRP A 39 -0.607 -2.743 1.609 1.00 0.00 O ATOM 588 CB TRP A 39 0.683 -3.488 -1.447 1.00 0.00 C ATOM 589 CG TRP A 39 -0.788 -3.511 -1.764 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.594 -4.608 -1.864 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.632 -2.378 -2.011 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.872 -4.228 -2.170 1.00 0.00 N ATOM 593 CE2 TRP A 39 -2.924 -2.869 -2.259 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.423 -0.997 -2.040 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -3.995 -2.030 -2.543 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.491 -0.168 -2.324 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.760 -0.687 -2.568 1.00 0.00 C ATOM 0 H TRP A 39 -0.333 -5.049 0.763 1.00 0.00 H new ATOM 0 HA TRP A 39 2.086 -3.483 0.190 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.111 -2.562 -1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.169 -4.308 -1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.270 -5.628 -1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.660 -4.861 -2.309 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.444 -0.585 -1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.980 -2.428 -2.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.339 0.901 -2.357 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.575 -0.012 -2.782 1.00 0.00 H new ATOM 608 N CYS A 40 0.701 -1.261 0.531 1.00 0.00 N ATOM 609 CA CYS A 40 0.106 -0.095 1.154 1.00 0.00 C ATOM 610 C CYS A 40 0.175 1.076 0.191 1.00 0.00 C ATOM 611 O CYS A 40 1.050 1.117 -0.675 1.00 0.00 O ATOM 612 CB CYS A 40 0.840 0.264 2.446 1.00 0.00 C ATOM 613 SG CYS A 40 2.537 0.878 2.181 1.00 0.00 S ATOM 0 H CYS A 40 1.448 -1.046 -0.129 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.933 -0.319 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.268 1.023 2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.878 -0.616 3.088 1.00 0.00 H new ATOM 618 N SER A 41 -0.729 2.028 0.337 1.00 0.00 N ATOM 619 CA SER A 41 -0.722 3.188 -0.531 1.00 0.00 C ATOM 620 C SER A 41 0.175 4.264 0.059 1.00 0.00 C ATOM 621 O SER A 41 0.475 4.253 1.257 1.00 0.00 O ATOM 622 CB SER A 41 -2.138 3.727 -0.728 1.00 0.00 C ATOM 623 OG SER A 41 -2.165 4.811 -1.644 1.00 0.00 O ATOM 0 H SER A 41 -1.468 2.021 1.040 1.00 0.00 H new ATOM 0 HA SER A 41 -0.334 2.893 -1.506 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.784 2.928 -1.091 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.541 4.051 0.232 1.00 0.00 H new ATOM 0 HG SER A 41 -2.366 5.641 -1.163 1.00 0.00 H new ATOM 629 N THR A 42 0.591 5.190 -0.781 1.00 0.00 N ATOM 630 CA THR A 42 1.446 6.287 -0.364 1.00 0.00 C ATOM 631 C THR A 42 0.638 7.570 -0.267 1.00 0.00 C ATOM 632 O THR A 42 0.992 8.499 0.461 1.00 0.00 O ATOM 633 CB THR A 42 2.592 6.451 -1.362 1.00 0.00 C ATOM 634 OG1 THR A 42 3.415 5.301 -1.365 1.00 0.00 O ATOM 635 CG2 THR A 42 3.474 7.646 -1.088 1.00 0.00 C ATOM 0 H THR A 42 0.347 5.205 -1.771 1.00 0.00 H new ATOM 0 HA THR A 42 1.862 6.067 0.619 1.00 0.00 H new ATOM 0 HB THR A 42 2.109 6.601 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.130 5.409 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.264 7.695 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.876 8.557 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.920 7.550 -0.098 1.00 0.00 H new ATOM 643 N THR A 43 -0.453 7.609 -1.005 1.00 0.00 N ATOM 644 CA THR A 43 -1.320 8.765 -1.014 1.00 0.00 C ATOM 645 C THR A 43 -2.616 8.464 -0.278 1.00 0.00 C ATOM 646 O THR A 43 -2.866 7.319 0.112 1.00 0.00 O ATOM 647 CB THR A 43 -1.599 9.171 -2.457 1.00 0.00 C ATOM 648 OG1 THR A 43 -2.138 8.080 -3.191 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.359 9.636 -3.185 1.00 0.00 C ATOM 0 H THR A 43 -0.760 6.847 -1.609 1.00 0.00 H new ATOM 0 HA THR A 43 -0.829 9.591 -0.499 1.00 0.00 H new ATOM 0 HB THR A 43 -2.308 9.996 -2.398 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.076 8.263 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.619 9.912 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.062 10.501 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.376 8.831 -3.202 1.00 0.00 H new ATOM 657 N TYR A 44 -3.442 9.488 -0.091 1.00 0.00 N ATOM 658 CA TYR A 44 -4.711 9.313 0.595 1.00 0.00 C ATOM 659 C TYR A 44 -5.632 8.430 -0.240 1.00 0.00 C ATOM 660 O TYR A 44 -6.203 7.469 0.263 1.00 0.00 O ATOM 661 CB TYR A 44 -5.374 10.666 0.869 1.00 0.00 C ATOM 662 CG TYR A 44 -6.469 10.603 1.921 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.195 10.152 3.211 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.768 10.997 1.633 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.184 10.101 4.175 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.762 10.947 2.595 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.466 10.499 3.861 1.00 0.00 C ATOM 668 OH TYR A 44 -9.454 10.454 4.820 1.00 0.00 O ATOM 0 H TYR A 44 -3.255 10.441 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.524 8.829 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.612 11.376 1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.795 11.050 -0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.193 9.837 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.008 11.349 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.953 9.751 5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.767 11.259 2.352 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.298 10.770 4.435 1.00 0.00 H new ATOM 678 N ASN A 45 -5.757 8.743 -1.524 1.00 0.00 N ATOM 679 CA ASN A 45 -6.594 7.956 -2.415 1.00 0.00 C ATOM 680 C ASN A 45 -5.709 7.237 -3.434 1.00 0.00 C ATOM 681 O ASN A 45 -5.065 7.875 -4.265 1.00 0.00 O ATOM 682 CB ASN A 45 -7.606 8.864 -3.123 1.00 0.00 C ATOM 683 CG ASN A 45 -8.714 8.152 -3.841 1.00 0.00 C ATOM 684 OD1 ASN A 45 -8.581 6.873 -4.086 1.00 0.00 O flip ATOM 685 ND2 ASN A 45 -9.698 8.779 -4.223 1.00 0.00 N flip ATOM 0 H ASN A 45 -5.290 9.534 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.147 7.214 -1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.046 9.535 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.071 9.486 -3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.779 9.775 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.435 8.304 -4.744 1.00 0.00 H new ATOM 692 N PHE A 46 -5.666 5.913 -3.343 1.00 0.00 N ATOM 693 CA PHE A 46 -4.841 5.095 -4.233 1.00 0.00 C ATOM 694 C PHE A 46 -5.375 5.079 -5.669 1.00 0.00 C ATOM 695 O PHE A 46 -4.615 4.946 -6.625 1.00 0.00 O ATOM 696 CB PHE A 46 -4.766 3.659 -3.690 1.00 0.00 C ATOM 697 CG PHE A 46 -3.952 2.728 -4.555 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.584 2.923 -4.724 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.550 1.663 -5.216 1.00 0.00 C ATOM 700 CE1 PHE A 46 -1.847 2.082 -5.534 1.00 0.00 C ATOM 701 CE2 PHE A 46 -3.811 0.819 -6.023 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.460 1.027 -6.182 1.00 0.00 C ATOM 0 H PHE A 46 -6.197 5.377 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.846 5.539 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.336 3.680 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.777 3.262 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.094 3.741 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.610 1.492 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.788 2.249 -5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.294 -0.004 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.881 0.368 -6.811 1.00 0.00 H new ATOM 712 N GLU A 47 -6.686 5.185 -5.807 1.00 0.00 N ATOM 713 CA GLU A 47 -7.344 5.150 -7.113 1.00 0.00 C ATOM 714 C GLU A 47 -6.868 6.260 -8.053 1.00 0.00 C ATOM 715 O GLU A 47 -6.524 6.001 -9.209 1.00 0.00 O ATOM 716 CB GLU A 47 -8.856 5.262 -6.913 1.00 0.00 C ATOM 717 CG GLU A 47 -9.681 4.845 -8.117 1.00 0.00 C ATOM 718 CD GLU A 47 -11.148 4.746 -7.786 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.506 3.924 -6.918 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.942 5.488 -8.389 1.00 0.00 O ATOM 0 H GLU A 47 -7.328 5.298 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.082 4.203 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.144 4.647 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.101 6.293 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.538 5.566 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.326 3.882 -8.485 1.00 0.00 H new ATOM 727 N LYS A 48 -6.892 7.493 -7.570 1.00 0.00 N ATOM 728 CA LYS A 48 -6.509 8.642 -8.386 1.00 0.00 C ATOM 729 C LYS A 48 -5.000 8.781 -8.598 1.00 0.00 C ATOM 730 O LYS A 48 -4.570 9.274 -9.641 1.00 0.00 O ATOM 731 CB LYS A 48 -7.049 9.934 -7.763 1.00 0.00 C ATOM 732 CG LYS A 48 -6.612 10.156 -6.320 1.00 0.00 C ATOM 733 CD LYS A 48 -7.128 11.481 -5.773 1.00 0.00 C ATOM 734 CE LYS A 48 -8.652 11.541 -5.781 1.00 0.00 C ATOM 735 NZ LYS A 48 -9.163 12.799 -5.176 1.00 0.00 N ATOM 0 H LYS A 48 -7.172 7.727 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.950 8.467 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.721 10.781 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.138 9.917 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.978 9.338 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.524 10.137 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.764 11.621 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.729 12.301 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.013 11.459 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.051 10.687 -5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.203 12.799 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.841 12.866 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.803 13.614 -5.713 1.00 0.00 H new ATOM 749 N ASP A 49 -4.201 8.402 -7.606 1.00 0.00 N ATOM 750 CA ASP A 49 -2.752 8.553 -7.712 1.00 0.00 C ATOM 751 C ASP A 49 -2.064 7.275 -8.169 1.00 0.00 C ATOM 752 O ASP A 49 -1.464 7.242 -9.240 1.00 0.00 O ATOM 753 CB ASP A 49 -2.181 9.051 -6.388 1.00 0.00 C ATOM 754 CG ASP A 49 -2.583 10.484 -6.116 1.00 0.00 C ATOM 755 OD1 ASP A 49 -3.106 11.139 -7.035 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.363 10.965 -4.994 1.00 0.00 O ATOM 0 H ASP A 49 -4.525 7.993 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.552 9.296 -8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.531 8.413 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.094 8.974 -6.407 1.00 0.00 H new ATOM 761 N GLY A 50 -2.166 6.219 -7.384 1.00 0.00 N ATOM 762 CA GLY A 50 -1.564 4.965 -7.777 1.00 0.00 C ATOM 763 C GLY A 50 -0.196 4.702 -7.181 1.00 0.00 C ATOM 764 O GLY A 50 0.477 3.759 -7.593 1.00 0.00 O ATOM 0 H GLY A 50 -2.651 6.205 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.232 4.152 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.482 4.942 -8.864 1.00 0.00 H new ATOM 768 N LYS A 51 0.216 5.502 -6.206 1.00 0.00 N ATOM 769 CA LYS A 51 1.510 5.289 -5.568 1.00 0.00 C ATOM 770 C LYS A 51 1.378 4.218 -4.492 1.00 0.00 C ATOM 771 O LYS A 51 0.616 4.376 -3.539 1.00 0.00 O ATOM 772 CB LYS A 51 2.063 6.587 -4.969 1.00 0.00 C ATOM 773 CG LYS A 51 2.611 7.571 -5.991 1.00 0.00 C ATOM 774 CD LYS A 51 1.544 8.517 -6.532 1.00 0.00 C ATOM 775 CE LYS A 51 2.138 9.476 -7.558 1.00 0.00 C ATOM 776 NZ LYS A 51 1.273 10.663 -7.798 1.00 0.00 N ATOM 0 H LYS A 51 -0.317 6.293 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 51 2.216 4.955 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.272 7.076 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.855 6.338 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.410 8.155 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.054 7.018 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.740 7.941 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.104 9.083 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.118 9.808 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.292 8.947 -8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.722 11.283 -8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.346 10.351 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.146 11.186 -6.908 1.00 0.00 H new ATOM 790 N TYR A 52 2.097 3.114 -4.672 1.00 0.00 N ATOM 791 CA TYR A 52 2.034 1.998 -3.740 1.00 0.00 C ATOM 792 C TYR A 52 3.376 1.293 -3.617 1.00 0.00 C ATOM 793 O TYR A 52 4.283 1.486 -4.431 1.00 0.00 O ATOM 794 CB TYR A 52 0.993 0.985 -4.227 1.00 0.00 C ATOM 795 CG TYR A 52 1.425 0.247 -5.479 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.238 0.806 -6.737 1.00 0.00 C ATOM 797 CD2 TYR A 52 2.057 -0.991 -5.403 1.00 0.00 C ATOM 798 CE1 TYR A 52 1.658 0.156 -7.877 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.485 -1.647 -6.540 1.00 0.00 C ATOM 800 CZ TYR A 52 2.282 -1.068 -7.774 1.00 0.00 C ATOM 801 OH TYR A 52 2.703 -1.712 -8.914 1.00 0.00 O ATOM 0 H TYR A 52 2.731 2.970 -5.458 1.00 0.00 H new ATOM 0 HA TYR A 52 1.760 2.397 -2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.799 0.262 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.054 1.503 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.754 1.768 -6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.215 -1.447 -4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.499 0.604 -8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.975 -2.606 -6.463 1.00 0.00 H new ATOM 0 HH TYR A 52 3.125 -2.563 -8.672 1.00 0.00 H new ATOM 811 N GLY A 53 3.468 0.448 -2.610 1.00 0.00 N ATOM 812 CA GLY A 53 4.659 -0.325 -2.381 1.00 0.00 C ATOM 813 C GLY A 53 4.369 -1.509 -1.490 1.00 0.00 C ATOM 814 O GLY A 53 3.380 -1.508 -0.753 1.00 0.00 O ATOM 0 H GLY A 53 2.722 0.283 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.062 -0.671 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.422 0.303 -1.921 1.00 0.00 H new ATOM 818 N PHE A 54 5.210 -2.526 -1.563 1.00 0.00 N ATOM 819 CA PHE A 54 5.019 -3.730 -0.768 1.00 0.00 C ATOM 820 C PHE A 54 5.809 -3.650 0.531 1.00 0.00 C ATOM 821 O PHE A 54 6.902 -3.086 0.564 1.00 0.00 O ATOM 822 CB PHE A 54 5.446 -4.960 -1.567 1.00 0.00 C ATOM 823 CG PHE A 54 4.668 -5.137 -2.838 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.309 -5.404 -2.801 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.288 -5.014 -4.071 1.00 0.00 C ATOM 826 CE1 PHE A 54 2.581 -5.548 -3.967 1.00 0.00 C ATOM 827 CE2 PHE A 54 4.565 -5.159 -5.241 1.00 0.00 C ATOM 828 CZ PHE A 54 3.214 -5.424 -5.191 1.00 0.00 C ATOM 0 H PHE A 54 6.033 -2.543 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 54 3.961 -3.815 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.507 -4.880 -1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.325 -5.848 -0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.811 -5.501 -1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.346 -4.803 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.522 -5.756 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.061 -5.064 -6.196 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.650 -5.535 -6.105 1.00 0.00 H new ATOM 838 N CYS A 55 5.267 -4.225 1.593 1.00 0.00 N ATOM 839 CA CYS A 55 5.949 -4.222 2.876 1.00 0.00 C ATOM 840 C CYS A 55 6.502 -5.614 3.163 1.00 0.00 C ATOM 841 O CYS A 55 5.760 -6.596 3.159 1.00 0.00 O ATOM 842 CB CYS A 55 5.004 -3.775 4.001 1.00 0.00 C ATOM 843 SG CYS A 55 3.481 -4.759 4.126 1.00 0.00 S ATOM 0 H CYS A 55 4.363 -4.697 1.592 1.00 0.00 H new ATOM 0 HA CYS A 55 6.773 -3.510 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.537 -3.827 4.951 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.737 -2.730 3.843 1.00 0.00 H new ATOM 848 N PRO A 56 7.818 -5.717 3.398 1.00 0.00 N ATOM 849 CA PRO A 56 8.479 -6.999 3.670 1.00 0.00 C ATOM 850 C PRO A 56 8.165 -7.556 5.056 1.00 0.00 C ATOM 851 O PRO A 56 9.040 -7.637 5.921 1.00 0.00 O ATOM 852 CB PRO A 56 9.962 -6.667 3.550 1.00 0.00 C ATOM 853 CG PRO A 56 10.062 -5.212 3.848 1.00 0.00 C ATOM 854 CD PRO A 56 8.766 -4.591 3.402 1.00 0.00 C ATOM 0 HA PRO A 56 8.141 -7.774 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.555 -7.254 4.251 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.336 -6.891 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.225 -5.045 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.906 -4.766 3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.446 -3.802 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.857 -4.142 2.413 1.00 0.00 H new ATOM 862 N HIS A 57 6.915 -7.942 5.258 1.00 0.00 N ATOM 863 CA HIS A 57 6.481 -8.497 6.531 1.00 0.00 C ATOM 864 C HIS A 57 6.286 -10.001 6.401 1.00 0.00 C ATOM 865 O HIS A 57 6.810 -10.781 7.198 1.00 0.00 O ATOM 866 CB HIS A 57 5.180 -7.827 6.986 1.00 0.00 C ATOM 867 CG HIS A 57 4.779 -8.183 8.383 1.00 0.00 C ATOM 868 ND1 HIS A 57 5.585 -7.954 9.479 1.00 0.00 N ATOM 869 CD2 HIS A 57 3.643 -8.742 8.867 1.00 0.00 C ATOM 870 CE1 HIS A 57 4.963 -8.356 10.574 1.00 0.00 C ATOM 871 NE2 HIS A 57 3.782 -8.835 10.228 1.00 0.00 N ATOM 0 H HIS A 57 6.180 -7.881 4.553 1.00 0.00 H new ATOM 0 HA HIS A 57 7.248 -8.305 7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.294 -6.745 6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.378 -8.109 6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.787 -9.056 8.288 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.354 -8.302 11.579 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.085 -9.213 10.870 1.00 0.00 H new ATOM 879 N GLU A 58 5.526 -10.397 5.381 1.00 0.00 N ATOM 880 CA GLU A 58 5.252 -11.810 5.122 1.00 0.00 C ATOM 881 C GLU A 58 6.522 -12.551 4.715 1.00 0.00 C ATOM 882 O GLU A 58 6.752 -13.688 5.130 1.00 0.00 O ATOM 883 CB GLU A 58 4.180 -11.968 4.030 1.00 0.00 C ATOM 884 CG GLU A 58 4.509 -11.277 2.709 1.00 0.00 C ATOM 885 CD GLU A 58 3.505 -11.593 1.622 1.00 0.00 C ATOM 886 OE1 GLU A 58 2.690 -12.512 1.818 1.00 0.00 O ATOM 887 OE2 GLU A 58 3.554 -10.941 0.560 1.00 0.00 O ATOM 0 H GLU A 58 5.088 -9.757 4.719 1.00 0.00 H new ATOM 0 HA GLU A 58 4.878 -12.247 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.028 -13.031 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.236 -11.573 4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.542 -10.199 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.503 -11.582 2.381 1.00 0.00 H new ATOM 894 N ALA A 59 7.343 -11.897 3.901 1.00 0.00 N ATOM 895 CA ALA A 59 8.591 -12.484 3.432 1.00 0.00 C ATOM 896 C ALA A 59 9.583 -11.398 3.049 1.00 0.00 C ATOM 897 O ALA A 59 9.287 -10.215 3.296 1.00 0.00 O ATOM 898 CB ALA A 59 8.343 -13.402 2.243 1.00 0.00 C ATOM 0 H ALA A 59 7.165 -10.956 3.551 1.00 0.00 H new ATOM 0 HA ALA A 59 9.011 -13.074 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.289 -13.829 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.666 -14.204 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.896 -12.831 1.429 1.00 0.00 H new TER 904 ALA A 59