USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 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 33 THR OG1 : rot 73:sc= 1.14 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0.968 USER MOD Single : A 1 VAL N :NH3+ -177:sc= -0.227 (180deg=-0.228) USER MOD Single : A 5 TYR OH : rot -56:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.367 K(o=0.37,f=-4.8!) USER MOD Single : A 12 CYS SG : rot 62:sc= 0.177 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 25 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0.384 (180deg=0.292) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00321) USER MOD Single : A 36 HIS : no HE2:sc= -0.937 K(o=-0.94,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0.142 (180deg=-0.0788) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.214 F(o=-0.91,f=-0.21) USER MOD Single : A 50 ASN : amide:sc= 0.557 K(o=0.56,f=-3!) USER MOD Single : A 55 ASN : amide:sc= 0.03 K(o=0.03,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.807 11.904 6.308 1.00 0.00 N ATOM 2 CA VAL A 1 6.386 10.560 5.838 1.00 0.00 C ATOM 3 C VAL A 1 5.685 9.817 6.943 1.00 0.00 C ATOM 4 O VAL A 1 5.769 10.186 8.115 1.00 0.00 O ATOM 5 CB VAL A 1 7.567 9.735 5.306 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.125 10.379 4.020 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.679 9.556 6.364 1.00 0.00 C ATOM 0 H1 VAL A 1 7.244 12.426 5.522 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.977 12.427 6.652 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.496 11.802 7.081 1.00 0.00 H new ATOM 0 HA VAL A 1 5.695 10.708 5.008 1.00 0.00 H new ATOM 0 HB VAL A 1 7.196 8.737 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.962 9.787 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.343 10.414 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.465 11.391 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.492 8.966 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.057 10.533 6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.273 9.042 7.235 1.00 0.00 H new ATOM 19 N ARG A 2 4.977 8.726 6.593 1.00 0.00 N ATOM 20 CA ARG A 2 4.395 7.832 7.556 1.00 0.00 C ATOM 21 C ARG A 2 4.612 6.503 6.900 1.00 0.00 C ATOM 22 O ARG A 2 5.211 6.444 5.823 1.00 0.00 O ATOM 23 CB ARG A 2 2.917 8.123 7.977 1.00 0.00 C ATOM 24 CG ARG A 2 1.764 7.806 6.996 1.00 0.00 C ATOM 25 CD ARG A 2 1.795 8.568 5.660 1.00 0.00 C ATOM 26 NE ARG A 2 0.739 8.044 4.720 1.00 0.00 N ATOM 27 CZ ARG A 2 0.982 6.953 3.934 1.00 0.00 C ATOM 28 NH1 ARG A 2 1.852 5.976 4.320 1.00 0.00 N ATOM 29 NH2 ARG A 2 0.345 6.858 2.732 1.00 0.00 N ATOM 0 H ARG A 2 4.804 8.457 5.624 1.00 0.00 H new ATOM 0 HA ARG A 2 4.858 7.925 8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.725 7.568 8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.852 9.182 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.776 6.737 6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.819 8.021 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.634 9.631 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.779 8.467 5.201 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.167 8.509 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.338 6.050 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.016 5.171 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.298 7.593 2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.511 6.052 2.129 1.00 0.00 H new ATOM 43 N ASP A 3 4.171 5.399 7.533 1.00 0.00 N ATOM 44 CA ASP A 3 4.417 4.065 7.052 1.00 0.00 C ATOM 45 C ASP A 3 3.034 3.520 7.134 1.00 0.00 C ATOM 46 O ASP A 3 2.277 3.966 7.999 1.00 0.00 O ATOM 47 CB ASP A 3 5.350 3.196 7.941 1.00 0.00 C ATOM 48 CG ASP A 3 6.696 3.886 8.185 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.740 4.824 9.023 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.702 3.475 7.549 1.00 0.00 O ATOM 0 H ASP A 3 3.631 5.430 8.398 1.00 0.00 H new ATOM 0 HA ASP A 3 4.920 4.063 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.863 2.998 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.516 2.231 7.462 1.00 0.00 H new ATOM 55 N GLY A 4 2.638 2.620 6.211 1.00 0.00 N ATOM 56 CA GLY A 4 1.291 2.125 6.249 1.00 0.00 C ATOM 57 C GLY A 4 1.214 0.865 5.463 1.00 0.00 C ATOM 58 O GLY A 4 2.189 0.439 4.844 1.00 0.00 O ATOM 0 H GLY A 4 3.224 2.246 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.985 1.945 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.606 2.867 5.839 1.00 0.00 H new ATOM 62 N TYR A 5 -0.007 0.289 5.407 1.00 0.00 N ATOM 63 CA TYR A 5 -0.367 -0.775 4.503 1.00 0.00 C ATOM 64 C TYR A 5 -0.654 -0.100 3.197 1.00 0.00 C ATOM 65 O TYR A 5 -1.485 0.800 3.188 1.00 0.00 O ATOM 66 CB TYR A 5 -1.682 -1.467 4.923 1.00 0.00 C ATOM 67 CG TYR A 5 -1.433 -2.463 6.011 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.077 -3.779 5.677 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.596 -2.120 7.364 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.937 -4.752 6.669 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.444 -3.090 8.362 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.144 -4.415 8.013 1.00 0.00 C ATOM 73 OH TYR A 5 -1.096 -5.408 9.012 1.00 0.00 O ATOM 0 H TYR A 5 -0.775 0.574 6.014 1.00 0.00 H new ATOM 0 HA TYR A 5 0.430 -1.518 4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.399 -0.720 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.127 -1.966 4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.910 -4.042 4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.840 -1.103 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.669 -5.763 6.400 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.558 -2.818 9.401 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.737 -6.118 8.799 1.00 0.00 H new ATOM 83 N ILE A 6 0.013 -0.453 2.075 1.00 0.00 N ATOM 84 CA ILE A 6 -0.215 0.256 0.836 1.00 0.00 C ATOM 85 C ILE A 6 -1.321 -0.419 0.068 1.00 0.00 C ATOM 86 O ILE A 6 -1.477 -1.653 0.038 1.00 0.00 O ATOM 87 CB ILE A 6 1.032 0.588 -0.002 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.756 1.722 -1.030 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.624 -0.674 -0.650 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.967 2.181 -1.842 1.00 0.00 C ATOM 0 H ILE A 6 0.695 -1.210 2.020 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.540 1.260 1.110 1.00 0.00 H new ATOM 0 HB ILE A 6 1.792 0.976 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.016 1.383 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.351 2.582 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.503 -0.404 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.909 -1.383 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.880 -1.131 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.666 2.973 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.736 2.558 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.364 1.340 -2.411 1.00 0.00 H new ATOM 102 N ALA A 7 -2.119 0.490 -0.527 1.00 0.00 N ATOM 103 CA ALA A 7 -3.236 0.271 -1.382 1.00 0.00 C ATOM 104 C ALA A 7 -2.849 0.272 -2.821 1.00 0.00 C ATOM 105 O ALA A 7 -1.763 0.701 -3.209 1.00 0.00 O ATOM 106 CB ALA A 7 -4.230 1.430 -1.292 1.00 0.00 C ATOM 0 H ALA A 7 -1.955 1.487 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.649 -0.685 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.074 1.238 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.588 1.524 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.738 2.356 -1.590 1.00 0.00 H new ATOM 112 N GLN A 8 -3.825 -0.159 -3.633 1.00 0.00 N ATOM 113 CA GLN A 8 -3.808 -0.179 -5.058 1.00 0.00 C ATOM 114 C GLN A 8 -4.502 1.078 -5.468 1.00 0.00 C ATOM 115 O GLN A 8 -5.388 1.494 -4.725 1.00 0.00 O ATOM 116 CB GLN A 8 -4.701 -1.352 -5.490 1.00 0.00 C ATOM 117 CG GLN A 8 -4.772 -1.715 -6.973 1.00 0.00 C ATOM 118 CD GLN A 8 -5.593 -3.000 -6.986 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.039 -4.099 -7.070 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.932 -2.850 -6.782 1.00 0.00 N ATOM 0 H GLN A 8 -4.701 -0.525 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.806 -0.266 -5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.368 -2.238 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.715 -1.136 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.249 -0.928 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.779 -1.868 -7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.337 -1.916 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.529 -3.672 -6.691 1.00 0.00 H new ATOM 129 N PRO A 9 -4.215 1.691 -6.609 1.00 0.00 N ATOM 130 CA PRO A 9 -5.065 2.717 -7.192 1.00 0.00 C ATOM 131 C PRO A 9 -6.419 2.112 -7.541 1.00 0.00 C ATOM 132 O PRO A 9 -6.414 1.031 -8.124 1.00 0.00 O ATOM 133 CB PRO A 9 -4.305 3.143 -8.457 1.00 0.00 C ATOM 134 CG PRO A 9 -2.835 2.893 -8.100 1.00 0.00 C ATOM 135 CD PRO A 9 -2.904 1.621 -7.256 1.00 0.00 C ATOM 0 HA PRO A 9 -5.259 3.559 -6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.611 2.558 -9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.486 4.190 -8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.220 2.755 -8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.407 3.726 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.812 0.728 -7.874 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.099 1.586 -6.522 1.00 0.00 H new ATOM 143 N GLU A 10 -7.583 2.713 -7.199 1.00 0.00 N ATOM 144 CA GLU A 10 -7.756 4.073 -6.754 1.00 0.00 C ATOM 145 C GLU A 10 -7.405 4.208 -5.306 1.00 0.00 C ATOM 146 O GLU A 10 -6.603 5.062 -4.940 1.00 0.00 O ATOM 147 CB GLU A 10 -9.188 4.587 -7.017 1.00 0.00 C ATOM 148 CG GLU A 10 -9.561 4.511 -8.511 1.00 0.00 C ATOM 149 CD GLU A 10 -10.973 5.048 -8.723 1.00 0.00 C ATOM 150 OE1 GLU A 10 -11.941 4.323 -8.370 1.00 0.00 O ATOM 151 OE2 GLU A 10 -11.104 6.189 -9.241 1.00 0.00 O ATOM 0 H GLU A 10 -8.469 2.209 -7.237 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.074 4.693 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.897 3.998 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.272 5.618 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.850 5.089 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.499 3.480 -8.858 1.00 0.00 H new ATOM 158 N ASN A 11 -7.966 3.350 -4.445 1.00 0.00 N ATOM 159 CA ASN A 11 -7.542 3.183 -3.095 1.00 0.00 C ATOM 160 C ASN A 11 -8.330 1.940 -2.854 1.00 0.00 C ATOM 161 O ASN A 11 -9.296 1.744 -3.587 1.00 0.00 O ATOM 162 CB ASN A 11 -7.970 4.311 -2.125 1.00 0.00 C ATOM 163 CG ASN A 11 -7.186 4.189 -0.816 1.00 0.00 C ATOM 164 OD1 ASN A 11 -6.019 3.785 -0.842 1.00 0.00 O ATOM 165 ND2 ASN A 11 -7.818 4.540 0.335 1.00 0.00 N ATOM 0 H ASN A 11 -8.748 2.747 -4.699 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.463 3.171 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.788 5.284 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.040 4.247 -1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.327 4.475 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.783 4.868 0.307 1.00 0.00 H new ATOM 172 N CYS A 12 -7.937 1.092 -1.890 1.00 0.00 N ATOM 173 CA CYS A 12 -8.491 -0.192 -1.507 1.00 0.00 C ATOM 174 C CYS A 12 -7.288 -0.741 -0.825 1.00 0.00 C ATOM 175 O CYS A 12 -6.557 0.033 -0.220 1.00 0.00 O ATOM 176 CB CYS A 12 -9.027 -1.160 -2.609 1.00 0.00 C ATOM 177 SG CYS A 12 -10.704 -0.773 -3.192 1.00 0.00 S ATOM 0 H CYS A 12 -7.136 1.326 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.419 -0.079 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.345 -1.137 -3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.016 -2.178 -2.219 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.716 0.413 -3.724 1.00 0.00 H new ATOM 182 N VAL A 13 -7.032 -2.053 -0.918 1.00 0.00 N ATOM 183 CA VAL A 13 -5.780 -2.657 -0.567 1.00 0.00 C ATOM 184 C VAL A 13 -5.172 -2.980 -1.897 1.00 0.00 C ATOM 185 O VAL A 13 -5.864 -2.971 -2.916 1.00 0.00 O ATOM 186 CB VAL A 13 -5.903 -3.924 0.281 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.223 -3.531 1.734 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.949 -4.906 -0.294 1.00 0.00 C ATOM 0 H VAL A 13 -7.723 -2.726 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.190 -1.986 0.057 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.951 -4.455 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.312 -4.431 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.422 -2.905 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.162 -2.979 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.004 -5.791 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.925 -4.421 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.657 -5.199 -1.303 1.00 0.00 H new ATOM 198 N TYR A 14 -3.857 -3.278 -1.906 1.00 0.00 N ATOM 199 CA TYR A 14 -3.197 -3.947 -2.999 1.00 0.00 C ATOM 200 C TYR A 14 -3.311 -5.397 -2.622 1.00 0.00 C ATOM 201 O TYR A 14 -4.028 -5.733 -1.688 1.00 0.00 O ATOM 202 CB TYR A 14 -1.694 -3.546 -3.151 1.00 0.00 C ATOM 203 CG TYR A 14 -1.352 -2.984 -4.506 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.758 -3.630 -5.687 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.580 -1.815 -4.612 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.471 -3.076 -6.940 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.306 -1.246 -5.862 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.783 -1.861 -7.027 1.00 0.00 C ATOM 209 OH TYR A 14 -0.592 -1.238 -8.277 1.00 0.00 O ATOM 0 H TYR A 14 -3.232 -3.049 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.647 -3.690 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.445 -2.809 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.073 -4.422 -2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.297 -4.564 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.193 -1.349 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.781 -3.587 -7.840 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.271 -0.336 -5.928 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.095 -0.402 -8.153 1.00 0.00 H new ATOM 219 N HIS A 15 -2.595 -6.310 -3.288 1.00 0.00 N ATOM 220 CA HIS A 15 -2.472 -7.658 -2.828 1.00 0.00 C ATOM 221 C HIS A 15 -1.020 -7.780 -3.092 1.00 0.00 C ATOM 222 O HIS A 15 -0.473 -6.936 -3.807 1.00 0.00 O ATOM 223 CB HIS A 15 -3.296 -8.709 -3.598 1.00 0.00 C ATOM 224 CG HIS A 15 -4.748 -8.642 -3.208 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.621 -7.719 -3.717 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.413 -9.332 -2.252 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.782 -7.849 -3.089 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.683 -8.825 -2.195 1.00 0.00 N ATOM 0 H HIS A 15 -2.094 -6.116 -4.155 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.836 -7.839 -1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.195 -8.542 -4.670 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.905 -9.706 -3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.015 -10.133 -1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.665 -7.256 -3.275 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.426 -9.143 -1.572 1.00 0.00 H new ATOM 237 N CYS A 16 -0.354 -8.765 -2.476 1.00 0.00 N ATOM 238 CA CYS A 16 1.065 -8.745 -2.332 1.00 0.00 C ATOM 239 C CYS A 16 1.420 -10.110 -2.766 1.00 0.00 C ATOM 240 O CYS A 16 0.555 -10.987 -2.830 1.00 0.00 O ATOM 241 CB CYS A 16 1.523 -8.533 -0.865 1.00 0.00 C ATOM 242 SG CYS A 16 3.240 -7.952 -0.704 1.00 0.00 S ATOM 0 H CYS A 16 -0.804 -9.587 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 16 1.530 -7.932 -2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.860 -7.811 -0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.415 -9.472 -0.322 1.00 0.00 H new ATOM 247 N PHE A 17 2.706 -10.312 -3.063 1.00 0.00 N ATOM 248 CA PHE A 17 3.246 -11.560 -3.484 1.00 0.00 C ATOM 249 C PHE A 17 4.037 -11.911 -2.267 1.00 0.00 C ATOM 250 O PHE A 17 4.809 -11.037 -1.882 1.00 0.00 O ATOM 251 CB PHE A 17 4.255 -11.393 -4.652 1.00 0.00 C ATOM 252 CG PHE A 17 3.586 -10.744 -5.834 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.942 -11.538 -6.797 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.578 -9.344 -5.992 1.00 0.00 C ATOM 255 CE1 PHE A 17 2.299 -10.952 -7.895 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.936 -8.755 -7.088 1.00 0.00 C ATOM 257 CZ PHE A 17 2.299 -9.560 -8.040 1.00 0.00 C ATOM 0 H PHE A 17 3.405 -9.571 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 17 2.490 -12.268 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.101 -10.787 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.652 -12.366 -4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.943 -12.613 -6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.071 -8.720 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.805 -11.573 -8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.932 -7.681 -7.199 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.807 -9.106 -8.887 1.00 0.00 H new ATOM 267 N PRO A 18 3.924 -13.065 -1.618 1.00 0.00 N ATOM 268 CA PRO A 18 4.780 -13.457 -0.495 1.00 0.00 C ATOM 269 C PRO A 18 6.267 -13.614 -0.792 1.00 0.00 C ATOM 270 O PRO A 18 6.894 -14.530 -0.268 1.00 0.00 O ATOM 271 CB PRO A 18 4.197 -14.816 -0.090 1.00 0.00 C ATOM 272 CG PRO A 18 2.689 -14.653 -0.312 1.00 0.00 C ATOM 273 CD PRO A 18 2.599 -13.689 -1.500 1.00 0.00 C ATOM 0 HA PRO A 18 4.768 -12.673 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.605 -15.623 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.424 -15.054 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.211 -15.607 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.196 -14.247 0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.335 -14.221 -2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.827 -12.937 -1.335 1.00 0.00 H new ATOM 281 N GLY A 19 6.855 -12.714 -1.587 1.00 0.00 N ATOM 282 CA GLY A 19 8.246 -12.588 -1.858 1.00 0.00 C ATOM 283 C GLY A 19 8.158 -11.161 -2.248 1.00 0.00 C ATOM 284 O GLY A 19 7.433 -10.845 -3.188 1.00 0.00 O ATOM 0 H GLY A 19 6.307 -12.012 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.882 -12.769 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.600 -13.241 -2.655 1.00 0.00 H new ATOM 288 N SER A 20 8.798 -10.256 -1.478 1.00 0.00 N ATOM 289 CA SER A 20 8.438 -8.864 -1.412 1.00 0.00 C ATOM 290 C SER A 20 8.531 -8.137 -2.718 1.00 0.00 C ATOM 291 O SER A 20 7.750 -7.221 -2.968 1.00 0.00 O ATOM 292 CB SER A 20 9.346 -8.121 -0.410 1.00 0.00 C ATOM 293 OG SER A 20 9.401 -8.847 0.816 1.00 0.00 O ATOM 0 H SER A 20 9.590 -10.498 -0.883 1.00 0.00 H new ATOM 0 HA SER A 20 7.393 -8.864 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.348 -8.011 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.963 -7.116 -0.232 1.00 0.00 H new ATOM 0 HG SER A 20 9.979 -8.374 1.450 1.00 0.00 H new ATOM 299 N SER A 21 9.497 -8.543 -3.569 1.00 0.00 N ATOM 300 CA SER A 21 9.950 -7.887 -4.767 1.00 0.00 C ATOM 301 C SER A 21 8.884 -7.283 -5.643 1.00 0.00 C ATOM 302 O SER A 21 9.037 -6.147 -6.091 1.00 0.00 O ATOM 303 CB SER A 21 10.843 -8.839 -5.582 1.00 0.00 C ATOM 304 OG SER A 21 11.742 -9.493 -4.687 1.00 0.00 O ATOM 0 H SER A 21 10.008 -9.410 -3.403 1.00 0.00 H new ATOM 0 HA SER A 21 10.515 -7.026 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.233 -9.572 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.398 -8.284 -6.338 1.00 0.00 H new ATOM 0 HG SER A 21 12.318 -10.105 -5.191 1.00 0.00 H new ATOM 310 N GLY A 22 7.757 -7.986 -5.892 1.00 0.00 N ATOM 311 CA GLY A 22 6.696 -7.437 -6.711 1.00 0.00 C ATOM 312 C GLY A 22 6.119 -6.175 -6.118 1.00 0.00 C ATOM 313 O GLY A 22 6.119 -5.122 -6.756 1.00 0.00 O ATOM 0 H GLY A 22 7.576 -8.924 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.081 -7.226 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.905 -8.179 -6.825 1.00 0.00 H new ATOM 317 N CYS A 23 5.641 -6.239 -4.854 1.00 0.00 N ATOM 318 CA CYS A 23 4.950 -5.113 -4.268 1.00 0.00 C ATOM 319 C CYS A 23 5.940 -4.120 -3.739 1.00 0.00 C ATOM 320 O CYS A 23 5.621 -2.940 -3.631 1.00 0.00 O ATOM 321 CB CYS A 23 3.928 -5.483 -3.172 1.00 0.00 C ATOM 322 SG CYS A 23 2.459 -4.406 -3.256 1.00 0.00 S ATOM 0 H CYS A 23 5.729 -7.052 -4.245 1.00 0.00 H new ATOM 0 HA CYS A 23 4.364 -4.675 -5.076 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.627 -6.524 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.394 -5.393 -2.191 1.00 0.00 H new ATOM 327 N ASP A 24 7.192 -4.556 -3.461 1.00 0.00 N ATOM 328 CA ASP A 24 8.300 -3.671 -3.160 1.00 0.00 C ATOM 329 C ASP A 24 8.578 -2.779 -4.353 1.00 0.00 C ATOM 330 O ASP A 24 8.904 -1.606 -4.193 1.00 0.00 O ATOM 331 CB ASP A 24 9.580 -4.465 -2.775 1.00 0.00 C ATOM 332 CG ASP A 24 10.784 -3.573 -2.440 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.657 -2.716 -1.527 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.845 -3.745 -3.097 1.00 0.00 O ATOM 0 H ASP A 24 7.444 -5.544 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 24 8.022 -3.059 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.359 -5.099 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.848 -5.127 -3.599 1.00 0.00 H new ATOM 339 N THR A 25 8.411 -3.296 -5.589 1.00 0.00 N ATOM 340 CA THR A 25 8.604 -2.510 -6.790 1.00 0.00 C ATOM 341 C THR A 25 7.483 -1.501 -6.918 1.00 0.00 C ATOM 342 O THR A 25 7.722 -0.344 -7.265 1.00 0.00 O ATOM 343 CB THR A 25 8.663 -3.363 -8.043 1.00 0.00 C ATOM 344 OG1 THR A 25 9.624 -4.404 -7.892 1.00 0.00 O ATOM 345 CG2 THR A 25 9.083 -2.506 -9.257 1.00 0.00 C ATOM 0 H THR A 25 8.141 -4.264 -5.764 1.00 0.00 H new ATOM 0 HA THR A 25 9.565 -2.005 -6.696 1.00 0.00 H new ATOM 0 HB THR A 25 7.671 -3.786 -8.202 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.242 -5.125 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.121 -3.132 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.358 -1.706 -9.406 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.067 -2.074 -9.075 1.00 0.00 H new ATOM 353 N LEU A 26 6.225 -1.902 -6.594 1.00 0.00 N ATOM 354 CA LEU A 26 5.084 -0.999 -6.624 1.00 0.00 C ATOM 355 C LEU A 26 5.292 0.085 -5.601 1.00 0.00 C ATOM 356 O LEU A 26 5.023 1.257 -5.846 1.00 0.00 O ATOM 357 CB LEU A 26 3.709 -1.663 -6.323 1.00 0.00 C ATOM 358 CG LEU A 26 3.002 -2.344 -7.527 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.754 -1.368 -8.694 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.675 -3.635 -8.015 1.00 0.00 C ATOM 0 H LEU A 26 5.993 -2.854 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 26 5.040 -0.625 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.852 -2.410 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.042 -0.902 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 26 2.034 -2.649 -7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.258 -1.894 -9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.122 -0.547 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.707 -0.971 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.115 -4.042 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.696 -3.417 -8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.693 -4.364 -7.205 1.00 0.00 H new ATOM 372 N CYS A 27 5.834 -0.290 -4.426 1.00 0.00 N ATOM 373 CA CYS A 27 6.152 0.609 -3.347 1.00 0.00 C ATOM 374 C CYS A 27 7.099 1.694 -3.802 1.00 0.00 C ATOM 375 O CYS A 27 6.890 2.864 -3.483 1.00 0.00 O ATOM 376 CB CYS A 27 6.770 -0.139 -2.139 1.00 0.00 C ATOM 377 SG CYS A 27 6.726 0.833 -0.617 1.00 0.00 S ATOM 0 H CYS A 27 6.062 -1.262 -4.215 1.00 0.00 H new ATOM 0 HA CYS A 27 5.213 1.063 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.233 -1.074 -1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.803 -0.400 -2.369 1.00 0.00 H new ATOM 382 N LYS A 28 8.132 1.332 -4.603 1.00 0.00 N ATOM 383 CA LYS A 28 9.112 2.280 -5.100 1.00 0.00 C ATOM 384 C LYS A 28 8.452 3.342 -5.938 1.00 0.00 C ATOM 385 O LYS A 28 8.626 4.534 -5.692 1.00 0.00 O ATOM 386 CB LYS A 28 10.214 1.636 -5.983 1.00 0.00 C ATOM 387 CG LYS A 28 11.198 0.720 -5.232 1.00 0.00 C ATOM 388 CD LYS A 28 12.185 1.472 -4.323 1.00 0.00 C ATOM 389 CE LYS A 28 13.294 0.571 -3.756 1.00 0.00 C ATOM 390 NZ LYS A 28 12.743 -0.441 -2.823 1.00 0.00 N ATOM 0 H LYS A 28 8.293 0.373 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 28 9.574 2.695 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.734 1.058 -6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.780 2.431 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.630 0.013 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.762 0.137 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.640 2.286 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.636 1.924 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.812 0.070 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.033 1.182 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.476 -1.145 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.437 0.026 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.929 -0.914 -3.265 1.00 0.00 H new ATOM 404 N GLU A 29 7.644 2.931 -6.939 1.00 0.00 N ATOM 405 CA GLU A 29 7.052 3.852 -7.888 1.00 0.00 C ATOM 406 C GLU A 29 5.970 4.712 -7.268 1.00 0.00 C ATOM 407 O GLU A 29 5.649 5.774 -7.799 1.00 0.00 O ATOM 408 CB GLU A 29 6.517 3.151 -9.163 1.00 0.00 C ATOM 409 CG GLU A 29 5.512 2.020 -8.906 1.00 0.00 C ATOM 410 CD GLU A 29 5.092 1.380 -10.227 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.986 0.847 -10.939 1.00 0.00 O ATOM 412 OE2 GLU A 29 3.872 1.407 -10.537 1.00 0.00 O ATOM 0 H GLU A 29 7.395 1.955 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 29 7.870 4.506 -8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.045 3.899 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.363 2.746 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.958 1.268 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.636 2.412 -8.388 1.00 0.00 H new ATOM 419 N LYS A 30 5.412 4.298 -6.106 1.00 0.00 N ATOM 420 CA LYS A 30 4.452 5.097 -5.371 1.00 0.00 C ATOM 421 C LYS A 30 5.139 5.997 -4.367 1.00 0.00 C ATOM 422 O LYS A 30 4.482 6.792 -3.695 1.00 0.00 O ATOM 423 CB LYS A 30 3.409 4.239 -4.615 1.00 0.00 C ATOM 424 CG LYS A 30 2.513 3.376 -5.530 1.00 0.00 C ATOM 425 CD LYS A 30 1.617 4.144 -6.524 1.00 0.00 C ATOM 426 CE LYS A 30 0.602 5.105 -5.882 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.321 4.397 -4.961 1.00 0.00 N ATOM 0 H LYS A 30 5.625 3.402 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 30 3.936 5.693 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.931 3.585 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.775 4.898 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.153 2.699 -6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.874 2.757 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.256 4.713 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.074 3.421 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.134 5.884 -5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.026 5.601 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.001 5.075 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.835 3.659 -5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.225 3.959 -4.191 1.00 0.00 H new ATOM 441 N GLY A 31 6.482 5.913 -4.251 1.00 0.00 N ATOM 442 CA GLY A 31 7.249 6.857 -3.477 1.00 0.00 C ATOM 443 C GLY A 31 7.531 6.346 -2.102 1.00 0.00 C ATOM 444 O GLY A 31 7.750 7.143 -1.193 1.00 0.00 O ATOM 0 H GLY A 31 7.043 5.186 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.189 7.067 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.705 7.799 -3.410 1.00 0.00 H new ATOM 448 N GLY A 32 7.539 5.008 -1.906 1.00 0.00 N ATOM 449 CA GLY A 32 7.959 4.412 -0.664 1.00 0.00 C ATOM 450 C GLY A 32 9.383 4.012 -0.835 1.00 0.00 C ATOM 451 O GLY A 32 9.858 3.826 -1.958 1.00 0.00 O ATOM 0 H GLY A 32 7.252 4.333 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.853 5.119 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.341 3.547 -0.423 1.00 0.00 H new ATOM 455 N THR A 33 10.119 3.862 0.289 1.00 0.00 N ATOM 456 CA THR A 33 11.529 3.582 0.227 1.00 0.00 C ATOM 457 C THR A 33 11.705 2.111 -0.010 1.00 0.00 C ATOM 458 O THR A 33 12.587 1.669 -0.742 1.00 0.00 O ATOM 459 CB THR A 33 12.262 3.974 1.508 1.00 0.00 C ATOM 460 OG1 THR A 33 11.643 3.438 2.681 1.00 0.00 O ATOM 461 CG2 THR A 33 12.250 5.512 1.615 1.00 0.00 C ATOM 0 H THR A 33 9.742 3.934 1.234 1.00 0.00 H new ATOM 0 HA THR A 33 11.957 4.174 -0.582 1.00 0.00 H new ATOM 0 HB THR A 33 13.273 3.572 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.817 2.475 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.769 5.818 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.753 5.941 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.220 5.866 1.649 1.00 0.00 H new ATOM 469 N SER A 34 10.868 1.326 0.680 1.00 0.00 N ATOM 470 CA SER A 34 11.064 -0.067 0.862 1.00 0.00 C ATOM 471 C SER A 34 9.670 -0.441 1.218 1.00 0.00 C ATOM 472 O SER A 34 8.905 0.427 1.650 1.00 0.00 O ATOM 473 CB SER A 34 12.063 -0.363 2.018 1.00 0.00 C ATOM 474 OG SER A 34 12.104 0.705 2.973 1.00 0.00 O ATOM 0 H SER A 34 10.022 1.678 1.128 1.00 0.00 H new ATOM 0 HA SER A 34 11.494 -0.602 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.776 -1.288 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.060 -0.520 1.606 1.00 0.00 H new ATOM 0 HG SER A 34 12.740 0.483 3.685 1.00 0.00 H new ATOM 480 N GLY A 35 9.284 -1.717 1.036 1.00 0.00 N ATOM 481 CA GLY A 35 7.938 -2.110 1.282 1.00 0.00 C ATOM 482 C GLY A 35 8.016 -3.577 1.152 1.00 0.00 C ATOM 483 O GLY A 35 9.077 -4.102 0.807 1.00 0.00 O ATOM 0 H GLY A 35 9.900 -2.467 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.599 -1.806 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.247 -1.673 0.561 1.00 0.00 H new ATOM 487 N HIS A 36 6.898 -4.255 1.461 1.00 0.00 N ATOM 488 CA HIS A 36 6.839 -5.684 1.537 1.00 0.00 C ATOM 489 C HIS A 36 5.376 -5.941 1.672 1.00 0.00 C ATOM 490 O HIS A 36 4.581 -5.226 1.061 1.00 0.00 O ATOM 491 CB HIS A 36 7.700 -6.313 2.672 1.00 0.00 C ATOM 492 CG HIS A 36 7.721 -5.556 3.975 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.729 -5.610 4.918 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.680 -4.730 4.455 1.00 0.00 C ATOM 495 CE1 HIS A 36 7.085 -4.845 5.943 1.00 0.00 C ATOM 496 NE2 HIS A 36 8.265 -4.296 5.685 1.00 0.00 N ATOM 0 H HIS A 36 6.009 -3.798 1.664 1.00 0.00 H new ATOM 0 HA HIS A 36 7.280 -6.164 0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.333 -7.321 2.865 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.725 -6.410 2.313 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.864 -6.146 4.845 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.602 -4.463 3.959 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.507 -4.694 6.843 1.00 0.00 H new ATOM 505 N CYS A 37 4.964 -6.955 2.452 1.00 0.00 N ATOM 506 CA CYS A 37 3.604 -7.409 2.507 1.00 0.00 C ATOM 507 C CYS A 37 3.217 -7.256 3.927 1.00 0.00 C ATOM 508 O CYS A 37 4.000 -6.771 4.742 1.00 0.00 O ATOM 509 CB CYS A 37 3.449 -8.907 2.147 1.00 0.00 C ATOM 510 SG CYS A 37 4.113 -9.309 0.516 1.00 0.00 S ATOM 0 H CYS A 37 5.592 -7.476 3.063 1.00 0.00 H new ATOM 0 HA CYS A 37 3.000 -6.844 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.956 -9.511 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.393 -9.176 2.181 1.00 0.00 H new ATOM 515 N GLY A 38 2.006 -7.706 4.265 1.00 0.00 N ATOM 516 CA GLY A 38 1.551 -7.771 5.605 1.00 0.00 C ATOM 517 C GLY A 38 0.305 -8.522 5.332 1.00 0.00 C ATOM 518 O GLY A 38 0.120 -9.017 4.215 1.00 0.00 O ATOM 0 H GLY A 38 1.322 -8.035 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.236 -8.301 6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.374 -6.791 6.047 1.00 0.00 H new ATOM 522 N PHE A 39 -0.585 -8.613 6.324 1.00 0.00 N ATOM 523 CA PHE A 39 -1.885 -9.164 6.156 1.00 0.00 C ATOM 524 C PHE A 39 -2.601 -8.207 7.046 1.00 0.00 C ATOM 525 O PHE A 39 -1.959 -7.583 7.898 1.00 0.00 O ATOM 526 CB PHE A 39 -2.017 -10.620 6.681 1.00 0.00 C ATOM 527 CG PHE A 39 -3.381 -11.175 6.378 1.00 0.00 C ATOM 528 CD1 PHE A 39 -3.747 -11.423 5.046 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.331 -11.373 7.394 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.044 -11.840 4.729 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.630 -11.789 7.080 1.00 0.00 C ATOM 532 CZ PHE A 39 -5.987 -12.027 5.746 1.00 0.00 C ATOM 0 H PHE A 39 -0.396 -8.293 7.274 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.226 -9.254 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.254 -11.248 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.842 -10.641 7.757 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.020 -11.291 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.057 -11.203 8.425 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.318 -12.018 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.358 -11.927 7.866 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.987 -12.354 5.503 1.00 0.00 H new ATOM 542 N LYS A 40 -3.914 -8.063 6.846 1.00 0.00 N ATOM 543 CA LYS A 40 -4.807 -7.324 7.672 1.00 0.00 C ATOM 544 C LYS A 40 -6.057 -7.950 7.151 1.00 0.00 C ATOM 545 O LYS A 40 -5.982 -8.777 6.241 1.00 0.00 O ATOM 546 CB LYS A 40 -4.823 -5.790 7.450 1.00 0.00 C ATOM 547 CG LYS A 40 -4.874 -5.361 5.972 1.00 0.00 C ATOM 548 CD LYS A 40 -4.932 -3.838 5.761 1.00 0.00 C ATOM 549 CE LYS A 40 -6.198 -3.154 6.299 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.424 -3.734 5.703 1.00 0.00 N ATOM 0 H LYS A 40 -4.386 -8.493 6.051 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.588 -7.375 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.685 -5.369 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.934 -5.359 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.996 -5.755 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.747 -5.815 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.063 -3.387 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.851 -3.631 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.236 -3.257 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.156 -2.087 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.103 -2.974 5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.181 -4.229 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.850 -4.407 6.372 1.00 0.00 H new ATOM 564 N VAL A 41 -7.220 -7.575 7.697 1.00 0.00 N ATOM 565 CA VAL A 41 -8.485 -8.082 7.279 1.00 0.00 C ATOM 566 C VAL A 41 -9.221 -6.788 7.380 1.00 0.00 C ATOM 567 O VAL A 41 -8.658 -5.801 7.857 1.00 0.00 O ATOM 568 CB VAL A 41 -9.111 -9.149 8.184 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.311 -10.419 7.331 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.202 -9.440 9.399 1.00 0.00 C ATOM 0 H VAL A 41 -7.284 -6.896 8.455 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.471 -8.610 6.326 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.066 -8.802 8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.756 -11.203 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.971 -10.194 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.347 -10.758 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.666 -10.200 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.233 -9.799 9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.064 -8.526 9.977 1.00 0.00 H new ATOM 580 N GLY A 42 -10.469 -6.750 6.888 1.00 0.00 N ATOM 581 CA GLY A 42 -11.240 -5.538 6.797 1.00 0.00 C ATOM 582 C GLY A 42 -11.461 -5.361 5.338 1.00 0.00 C ATOM 583 O GLY A 42 -12.581 -5.163 4.881 1.00 0.00 O ATOM 0 H GLY A 42 -10.960 -7.576 6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.183 -5.624 7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.704 -4.691 7.225 1.00 0.00 H new ATOM 587 N HIS A 43 -10.363 -5.460 4.563 1.00 0.00 N ATOM 588 CA HIS A 43 -10.422 -5.535 3.129 1.00 0.00 C ATOM 589 C HIS A 43 -9.878 -6.905 2.821 1.00 0.00 C ATOM 590 O HIS A 43 -10.625 -7.798 2.438 1.00 0.00 O ATOM 591 CB HIS A 43 -9.616 -4.430 2.403 1.00 0.00 C ATOM 592 CG HIS A 43 -10.149 -3.023 2.589 1.00 0.00 C ATOM 593 ND1 HIS A 43 -10.984 -2.506 3.524 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -9.723 -1.971 1.814 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -11.054 -1.155 3.308 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -10.282 -0.856 2.273 1.00 0.00 N flip ATOM 0 H HIS A 43 -9.415 -5.489 4.938 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.439 -5.376 2.771 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.585 -4.462 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.595 -4.657 1.337 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.048 -2.039 0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.639 -0.453 3.883 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.140 0.079 1.891 1.00 0.00 H new ATOM 605 N GLY A 44 -8.567 -7.153 3.011 1.00 0.00 N ATOM 606 CA GLY A 44 -8.047 -8.457 2.722 1.00 0.00 C ATOM 607 C GLY A 44 -6.579 -8.264 2.793 1.00 0.00 C ATOM 608 O GLY A 44 -6.139 -7.271 3.377 1.00 0.00 O ATOM 0 H GLY A 44 -7.886 -6.475 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.391 -9.196 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.360 -8.805 1.738 1.00 0.00 H new ATOM 612 N LEU A 45 -5.819 -9.200 2.162 1.00 0.00 N ATOM 613 CA LEU A 45 -4.372 -9.228 2.075 1.00 0.00 C ATOM 614 C LEU A 45 -3.956 -7.978 1.361 1.00 0.00 C ATOM 615 O LEU A 45 -4.615 -7.588 0.403 1.00 0.00 O ATOM 616 CB LEU A 45 -3.881 -10.491 1.307 1.00 0.00 C ATOM 617 CG LEU A 45 -2.374 -10.844 1.412 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.166 -12.373 1.361 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.509 -10.183 0.326 1.00 0.00 C ATOM 0 H LEU A 45 -6.245 -9.991 1.680 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.929 -9.275 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.454 -11.347 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.125 -10.361 0.253 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.047 -10.447 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.102 -12.598 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.695 -12.840 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.553 -12.762 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.468 -10.475 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.850 -10.506 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.595 -9.099 0.402 1.00 0.00 H new ATOM 631 N ALA A 46 -2.906 -7.295 1.853 1.00 0.00 N ATOM 632 CA ALA A 46 -2.644 -5.928 1.527 1.00 0.00 C ATOM 633 C ALA A 46 -1.167 -5.895 1.412 1.00 0.00 C ATOM 634 O ALA A 46 -0.526 -6.862 1.825 1.00 0.00 O ATOM 635 CB ALA A 46 -3.066 -5.016 2.691 1.00 0.00 C ATOM 0 H ALA A 46 -2.224 -7.703 2.492 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.174 -5.593 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.862 -3.977 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.132 -5.140 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.504 -5.284 3.585 1.00 0.00 H new ATOM 641 N CYS A 47 -0.582 -4.796 0.875 1.00 0.00 N ATOM 642 CA CYS A 47 0.859 -4.687 0.837 1.00 0.00 C ATOM 643 C CYS A 47 1.187 -3.752 1.945 1.00 0.00 C ATOM 644 O CYS A 47 0.279 -3.246 2.606 1.00 0.00 O ATOM 645 CB CYS A 47 1.420 -4.092 -0.468 1.00 0.00 C ATOM 646 SG CYS A 47 1.226 -5.196 -1.868 1.00 0.00 S ATOM 0 H CYS A 47 -1.087 -4.004 0.478 1.00 0.00 H new ATOM 0 HA CYS A 47 1.295 -5.683 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.915 -3.150 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.477 -3.864 -0.334 1.00 0.00 H new ATOM 651 N TRP A 48 2.487 -3.472 2.165 1.00 0.00 N ATOM 652 CA TRP A 48 2.908 -2.603 3.223 1.00 0.00 C ATOM 653 C TRP A 48 4.016 -1.824 2.592 1.00 0.00 C ATOM 654 O TRP A 48 4.719 -2.362 1.736 1.00 0.00 O ATOM 655 CB TRP A 48 3.347 -3.406 4.480 1.00 0.00 C ATOM 656 CG TRP A 48 4.064 -2.631 5.565 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.381 -2.287 5.572 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.495 -2.080 6.767 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.687 -1.555 6.685 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.540 -1.410 7.442 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.203 -2.112 7.286 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.305 -0.753 8.644 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.969 -1.452 8.502 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.006 -0.783 9.173 1.00 0.00 C ATOM 0 H TRP A 48 3.251 -3.851 1.605 1.00 0.00 H new ATOM 0 HA TRP A 48 2.120 -1.953 3.604 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.460 -3.864 4.918 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.998 -4.218 4.155 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.089 -2.556 4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.606 -1.179 6.917 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.407 -2.628 6.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.101 -0.233 9.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.977 -1.458 8.928 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.800 -0.285 10.109 1.00 0.00 H new ATOM 675 N CYS A 49 4.173 -0.543 2.991 1.00 0.00 N ATOM 676 CA CYS A 49 5.222 0.304 2.503 1.00 0.00 C ATOM 677 C CYS A 49 5.763 1.001 3.693 1.00 0.00 C ATOM 678 O CYS A 49 5.038 1.266 4.655 1.00 0.00 O ATOM 679 CB CYS A 49 4.763 1.416 1.538 1.00 0.00 C ATOM 680 SG CYS A 49 4.759 0.852 -0.174 1.00 0.00 S ATOM 0 H CYS A 49 3.558 -0.088 3.666 1.00 0.00 H new ATOM 0 HA CYS A 49 5.922 -0.329 1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.762 1.748 1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.423 2.278 1.636 1.00 0.00 H new ATOM 685 N ASN A 50 7.063 1.346 3.603 1.00 0.00 N ATOM 686 CA ASN A 50 7.740 2.133 4.586 1.00 0.00 C ATOM 687 C ASN A 50 8.038 3.427 3.900 1.00 0.00 C ATOM 688 O ASN A 50 8.456 3.437 2.740 1.00 0.00 O ATOM 689 CB ASN A 50 9.092 1.535 5.058 1.00 0.00 C ATOM 690 CG ASN A 50 8.848 0.509 6.171 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.195 -0.524 5.981 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.382 0.805 7.391 1.00 0.00 N ATOM 0 H ASN A 50 7.659 1.068 2.823 1.00 0.00 H new ATOM 0 HA ASN A 50 7.111 2.207 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.602 1.061 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.744 2.329 5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.247 0.167 8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.916 1.664 7.519 1.00 0.00 H new ATOM 699 N ALA A 51 7.824 4.535 4.650 1.00 0.00 N ATOM 700 CA ALA A 51 8.128 5.902 4.311 1.00 0.00 C ATOM 701 C ALA A 51 7.478 6.355 3.036 1.00 0.00 C ATOM 702 O ALA A 51 8.156 6.565 2.036 1.00 0.00 O ATOM 703 CB ALA A 51 9.640 6.200 4.278 1.00 0.00 C ATOM 0 H ALA A 51 7.401 4.465 5.575 1.00 0.00 H new ATOM 0 HA ALA A 51 7.696 6.483 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.799 7.246 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.071 6.002 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.120 5.563 3.535 1.00 0.00 H new ATOM 709 N LEU A 52 6.141 6.553 3.062 1.00 0.00 N ATOM 710 CA LEU A 52 5.439 7.149 1.945 1.00 0.00 C ATOM 711 C LEU A 52 5.173 8.553 2.414 1.00 0.00 C ATOM 712 O LEU A 52 4.909 8.712 3.608 1.00 0.00 O ATOM 713 CB LEU A 52 4.045 6.554 1.621 1.00 0.00 C ATOM 714 CG LEU A 52 4.041 5.122 1.038 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.643 4.484 1.102 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.546 5.078 -0.411 1.00 0.00 C ATOM 0 H LEU A 52 5.544 6.303 3.850 1.00 0.00 H new ATOM 0 HA LEU A 52 6.044 7.008 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.450 6.555 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.545 7.215 0.913 1.00 0.00 H new ATOM 0 HG LEU A 52 4.727 4.549 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.682 3.479 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.314 4.432 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.940 5.089 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.523 4.050 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.906 5.698 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.568 5.454 -0.452 1.00 0.00 H new ATOM 728 N PRO A 53 5.222 9.580 1.573 1.00 0.00 N ATOM 729 CA PRO A 53 4.851 10.925 1.971 1.00 0.00 C ATOM 730 C PRO A 53 3.378 11.083 2.232 1.00 0.00 C ATOM 731 O PRO A 53 2.590 10.178 1.961 1.00 0.00 O ATOM 732 CB PRO A 53 5.254 11.792 0.772 1.00 0.00 C ATOM 733 CG PRO A 53 6.445 11.051 0.168 1.00 0.00 C ATOM 734 CD PRO A 53 6.049 9.587 0.362 1.00 0.00 C ATOM 0 HA PRO A 53 5.339 11.197 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.438 11.888 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.526 12.801 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.587 11.298 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.376 11.292 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.495 9.210 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.927 8.952 0.479 1.00 0.00 H new ATOM 742 N ASP A 54 3.005 12.271 2.736 1.00 0.00 N ATOM 743 CA ASP A 54 1.668 12.608 3.162 1.00 0.00 C ATOM 744 C ASP A 54 0.745 12.798 1.988 1.00 0.00 C ATOM 745 O ASP A 54 -0.474 12.786 2.136 1.00 0.00 O ATOM 746 CB ASP A 54 1.648 13.953 3.928 1.00 0.00 C ATOM 747 CG ASP A 54 2.497 13.891 5.202 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.753 13.864 5.083 1.00 0.00 O ATOM 749 OD2 ASP A 54 1.899 13.883 6.312 1.00 0.00 O ATOM 0 H ASP A 54 3.663 13.041 2.856 1.00 0.00 H new ATOM 0 HA ASP A 54 1.342 11.781 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.021 14.746 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.621 14.209 4.187 1.00 0.00 H new ATOM 754 N ASN A 55 1.316 12.999 0.782 1.00 0.00 N ATOM 755 CA ASN A 55 0.565 13.178 -0.437 1.00 0.00 C ATOM 756 C ASN A 55 0.420 11.854 -1.136 1.00 0.00 C ATOM 757 O ASN A 55 0.119 11.818 -2.328 1.00 0.00 O ATOM 758 CB ASN A 55 1.209 14.210 -1.408 1.00 0.00 C ATOM 759 CG ASN A 55 2.661 13.843 -1.747 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.539 13.975 -0.885 1.00 0.00 O ATOM 761 ND2 ASN A 55 2.908 13.347 -2.992 1.00 0.00 N ATOM 0 H ASN A 55 2.326 13.039 0.646 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.410 13.575 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.623 14.261 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.180 15.202 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.853 13.064 -3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.147 13.259 -3.666 1.00 0.00 H new ATOM 768 N VAL A 56 0.615 10.733 -0.411 1.00 0.00 N ATOM 769 CA VAL A 56 0.251 9.421 -0.869 1.00 0.00 C ATOM 770 C VAL A 56 -0.737 9.070 0.204 1.00 0.00 C ATOM 771 O VAL A 56 -0.770 9.741 1.236 1.00 0.00 O ATOM 772 CB VAL A 56 1.410 8.426 -0.930 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.094 7.341 -1.983 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.708 9.189 -1.273 1.00 0.00 C ATOM 0 H VAL A 56 1.037 10.738 0.518 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.114 9.392 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 56 1.546 7.933 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.918 6.629 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.179 6.819 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.962 7.808 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.541 8.488 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.596 9.683 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.905 9.936 -0.504 1.00 0.00 H new ATOM 784 N GLY A 57 -1.572 8.036 0.018 1.00 0.00 N ATOM 785 CA GLY A 57 -2.608 7.711 0.953 1.00 0.00 C ATOM 786 C GLY A 57 -2.718 6.250 0.710 1.00 0.00 C ATOM 787 O GLY A 57 -2.013 5.741 -0.165 1.00 0.00 O ATOM 0 H GLY A 57 -1.531 7.415 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.331 7.944 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.538 8.240 0.746 1.00 0.00 H new ATOM 791 N ILE A 58 -3.553 5.552 1.504 1.00 0.00 N ATOM 792 CA ILE A 58 -3.448 4.147 1.761 1.00 0.00 C ATOM 793 C ILE A 58 -4.847 3.820 2.222 1.00 0.00 C ATOM 794 O ILE A 58 -5.726 4.675 2.148 1.00 0.00 O ATOM 795 CB ILE A 58 -2.411 3.824 2.825 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.448 4.816 4.010 1.00 0.00 C ATOM 797 CG2 ILE A 58 -1.034 3.766 2.123 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.372 4.511 5.045 1.00 0.00 C ATOM 0 H ILE A 58 -4.337 5.988 1.989 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.115 3.570 0.898 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.629 2.859 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.314 5.831 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.429 4.777 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.261 3.536 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.049 2.992 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.820 4.730 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.435 5.233 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.521 3.506 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.389 4.576 4.578 1.00 0.00 H new ATOM 810 N ILE A 59 -5.045 2.584 2.734 1.00 0.00 N ATOM 811 CA ILE A 59 -6.217 1.732 2.678 1.00 0.00 C ATOM 812 C ILE A 59 -7.583 2.360 2.815 1.00 0.00 C ATOM 813 O ILE A 59 -8.501 2.000 2.077 1.00 0.00 O ATOM 814 CB ILE A 59 -6.086 0.587 3.687 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.687 -0.075 3.639 1.00 0.00 C ATOM 816 CG2 ILE A 59 -7.181 -0.475 3.457 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.254 -0.521 2.243 1.00 0.00 C ATOM 0 H ILE A 59 -4.294 2.125 3.250 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.202 1.395 1.641 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.214 1.022 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.951 0.628 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.683 -0.940 4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.068 -1.278 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.163 -0.016 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.087 -0.882 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.264 -0.974 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.966 -1.250 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.222 0.343 1.579 1.00 0.00 H new ATOM 829 N VAL A 60 -7.765 3.292 3.769 1.00 0.00 N ATOM 830 CA VAL A 60 -9.051 3.911 3.944 1.00 0.00 C ATOM 831 C VAL A 60 -8.720 5.359 4.008 1.00 0.00 C ATOM 832 O VAL A 60 -9.201 6.141 3.189 1.00 0.00 O ATOM 833 CB VAL A 60 -9.822 3.451 5.176 1.00 0.00 C ATOM 834 CG1 VAL A 60 -11.129 2.842 4.630 1.00 0.00 C ATOM 835 CG2 VAL A 60 -9.030 2.403 5.991 1.00 0.00 C ATOM 0 H VAL A 60 -7.040 3.615 4.410 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.729 3.643 3.134 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.005 4.280 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.740 2.487 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.679 3.601 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.893 2.007 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.614 2.101 6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.831 1.532 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.086 2.836 6.321 1.00 0.00 H new