USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 hydrogens (2 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 14 TYR OH : rot 30:sc=0.000141 USER MOD Set 1.2: A 30 LYS NZ :NH3+ 130:sc=0.000588 (180deg=-0.0526) USER MOD Single : A 1 VAL N :NH3+ 179:sc= -0.348 (180deg=-0.349) USER MOD Single : A 5 TYR OH : rot -29:sc= 1.24 USER MOD Single : A 8 GLN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.315 K(o=0.31,f=-0.9) USER MOD Single : A 15 HIS : no HD1:sc= -0.0245 X(o=-0.025,f=-0.0079) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0797 USER MOD Single : A 25 THR OG1 : rot 62:sc= 1.28 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0.204 (180deg=0.193) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 34 SER OG : rot 30:sc= 1.1 USER MOD Single : A 36 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.39) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.0185 (180deg=-0.203) USER MOD Single : A 43 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.3!) USER MOD Single : A 50 ASN : amide:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : A 55 ASN : amide:sc= 0.0202 K(o=0.02,f=-3) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc=-0.00033 (180deg=-0.0994) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.738 F(o=-1.7!,f=-0.74) USER MOD Single : A 67 SER OG : rot 10:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.524 11.761 6.151 1.00 0.00 N ATOM 2 CA VAL A 1 7.115 10.569 5.365 1.00 0.00 C ATOM 3 C VAL A 1 6.149 9.717 6.146 1.00 0.00 C ATOM 4 O VAL A 1 5.871 9.964 7.321 1.00 0.00 O ATOM 5 CB VAL A 1 8.322 9.739 4.918 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.115 10.538 3.866 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.199 9.304 6.114 1.00 0.00 C ATOM 0 H1 VAL A 1 8.203 12.324 5.600 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.687 12.340 6.365 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.969 11.455 7.039 1.00 0.00 H new ATOM 0 HA VAL A 1 6.614 10.931 4.467 1.00 0.00 H new ATOM 0 HB VAL A 1 7.972 8.812 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.977 9.956 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.474 10.747 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.455 11.477 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.044 8.718 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.568 10.187 6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.605 8.700 6.800 1.00 0.00 H new ATOM 19 N ARG A 2 5.596 8.691 5.470 1.00 0.00 N ATOM 20 CA ARG A 2 4.555 7.837 5.965 1.00 0.00 C ATOM 21 C ARG A 2 5.167 6.469 6.058 1.00 0.00 C ATOM 22 O ARG A 2 6.154 6.188 5.373 1.00 0.00 O ATOM 23 CB ARG A 2 3.384 7.745 4.948 1.00 0.00 C ATOM 24 CG ARG A 2 2.896 9.110 4.420 1.00 0.00 C ATOM 25 CD ARG A 2 2.270 9.032 3.015 1.00 0.00 C ATOM 26 NE ARG A 2 0.836 8.581 3.076 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.209 9.450 3.249 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.001 10.787 3.430 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.493 8.978 3.250 1.00 0.00 N ATOM 0 H ARG A 2 5.891 8.443 4.526 1.00 0.00 H new ATOM 0 HA ARG A 2 4.172 8.216 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.699 7.133 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.547 7.230 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.162 9.519 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.736 9.804 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.325 10.009 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.844 8.341 2.397 1.00 0.00 H new ATOM 0 HE ARG A 2 0.633 7.586 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.949 11.159 3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.795 11.414 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.670 7.982 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.273 9.622 3.379 1.00 0.00 H new ATOM 43 N ASP A 3 4.570 5.568 6.866 1.00 0.00 N ATOM 44 CA ASP A 3 4.840 4.158 6.797 1.00 0.00 C ATOM 45 C ASP A 3 3.425 3.706 6.893 1.00 0.00 C ATOM 46 O ASP A 3 2.682 4.288 7.686 1.00 0.00 O ATOM 47 CB ASP A 3 5.617 3.547 7.995 1.00 0.00 C ATOM 48 CG ASP A 3 6.992 4.197 8.155 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.739 4.275 7.146 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.318 4.620 9.297 1.00 0.00 O ATOM 0 H ASP A 3 3.888 5.822 7.580 1.00 0.00 H new ATOM 0 HA ASP A 3 5.457 3.883 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.041 3.680 8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.735 2.474 7.845 1.00 0.00 H new ATOM 55 N GLY A 4 2.977 2.752 6.052 1.00 0.00 N ATOM 56 CA GLY A 4 1.645 2.253 6.211 1.00 0.00 C ATOM 57 C GLY A 4 1.584 0.965 5.484 1.00 0.00 C ATOM 58 O GLY A 4 2.557 0.569 4.835 1.00 0.00 O ATOM 0 H GLY A 4 3.514 2.340 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.407 2.114 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.917 2.958 5.810 1.00 0.00 H new ATOM 62 N TYR A 5 0.378 0.351 5.488 1.00 0.00 N ATOM 63 CA TYR A 5 -0.014 -0.634 4.516 1.00 0.00 C ATOM 64 C TYR A 5 -0.309 0.159 3.281 1.00 0.00 C ATOM 65 O TYR A 5 -1.045 1.138 3.361 1.00 0.00 O ATOM 66 CB TYR A 5 -1.308 -1.391 4.895 1.00 0.00 C ATOM 67 CG TYR A 5 -1.026 -2.449 5.914 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.538 -3.709 5.528 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.256 -2.194 7.275 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.292 -4.701 6.484 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.005 -3.180 8.233 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.531 -4.438 7.842 1.00 0.00 C ATOM 73 OH TYR A 5 -0.312 -5.426 8.828 1.00 0.00 O ATOM 0 H TYR A 5 -0.342 0.545 6.184 1.00 0.00 H new ATOM 0 HA TYR A 5 0.772 -1.383 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.044 -0.689 5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.743 -1.844 4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.351 -3.914 4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.630 -1.229 7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.081 -5.667 6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.177 -2.971 9.278 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.442 -6.314 8.435 1.00 0.00 H new ATOM 83 N ILE A 6 0.266 -0.199 2.116 1.00 0.00 N ATOM 84 CA ILE A 6 0.112 0.618 0.939 1.00 0.00 C ATOM 85 C ILE A 6 -1.121 0.106 0.256 1.00 0.00 C ATOM 86 O ILE A 6 -1.373 -1.110 0.172 1.00 0.00 O ATOM 87 CB ILE A 6 1.324 0.750 0.004 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.205 1.968 -0.960 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.567 -0.575 -0.726 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.311 2.078 -2.014 1.00 0.00 C ATOM 0 H ILE A 6 0.829 -1.039 1.985 1.00 0.00 H new ATOM 0 HA ILE A 6 0.019 1.658 1.252 1.00 0.00 H new ATOM 0 HB ILE A 6 2.205 0.960 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.243 1.914 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.200 2.882 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.428 -0.474 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.760 -1.362 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.686 -0.833 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.137 2.958 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.278 2.169 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.307 1.186 -2.641 1.00 0.00 H new ATOM 102 N ALA A 7 -1.905 1.105 -0.187 1.00 0.00 N ATOM 103 CA ALA A 7 -3.087 0.967 -0.967 1.00 0.00 C ATOM 104 C ALA A 7 -2.697 1.188 -2.390 1.00 0.00 C ATOM 105 O ALA A 7 -1.584 0.887 -2.808 1.00 0.00 O ATOM 106 CB ALA A 7 -4.146 2.024 -0.596 1.00 0.00 C ATOM 0 H ALA A 7 -1.692 2.081 0.019 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.516 -0.019 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.032 1.884 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.416 1.916 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.740 3.021 -0.765 1.00 0.00 H new ATOM 112 N GLN A 8 -3.645 1.768 -3.138 1.00 0.00 N ATOM 113 CA GLN A 8 -3.518 2.305 -4.446 1.00 0.00 C ATOM 114 C GLN A 8 -4.050 3.650 -4.047 1.00 0.00 C ATOM 115 O GLN A 8 -4.945 3.641 -3.192 1.00 0.00 O ATOM 116 CB GLN A 8 -4.473 1.604 -5.437 1.00 0.00 C ATOM 117 CG GLN A 8 -4.153 0.103 -5.537 1.00 0.00 C ATOM 118 CD GLN A 8 -5.244 -0.622 -6.321 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.287 -0.522 -7.550 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.124 -1.378 -5.603 1.00 0.00 N ATOM 0 H GLN A 8 -4.597 1.869 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.550 2.246 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.505 1.739 -5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.386 2.065 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.189 -0.038 -6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.069 -0.325 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.044 -1.427 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.862 -1.895 -6.082 1.00 0.00 H new ATOM 129 N PRO A 9 -3.555 4.780 -4.526 1.00 0.00 N ATOM 130 CA PRO A 9 -3.470 6.006 -3.731 1.00 0.00 C ATOM 131 C PRO A 9 -4.764 6.780 -3.643 1.00 0.00 C ATOM 132 O PRO A 9 -4.712 7.977 -3.376 1.00 0.00 O ATOM 133 CB PRO A 9 -2.401 6.840 -4.466 1.00 0.00 C ATOM 134 CG PRO A 9 -2.437 6.327 -5.911 1.00 0.00 C ATOM 135 CD PRO A 9 -2.698 4.838 -5.711 1.00 0.00 C ATOM 0 HA PRO A 9 -3.231 5.773 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.627 7.905 -4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.416 6.703 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.224 6.805 -6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.498 6.510 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.189 4.400 -6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.769 4.288 -5.558 1.00 0.00 H new ATOM 143 N GLU A 10 -5.924 6.127 -3.838 1.00 0.00 N ATOM 144 CA GLU A 10 -7.220 6.733 -3.785 1.00 0.00 C ATOM 145 C GLU A 10 -7.659 6.466 -2.387 1.00 0.00 C ATOM 146 O GLU A 10 -7.500 7.295 -1.499 1.00 0.00 O ATOM 147 CB GLU A 10 -8.152 6.096 -4.841 1.00 0.00 C ATOM 148 CG GLU A 10 -7.705 6.391 -6.287 1.00 0.00 C ATOM 149 CD GLU A 10 -7.939 7.861 -6.620 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.079 8.198 -7.036 1.00 0.00 O ATOM 151 OE2 GLU A 10 -6.982 8.665 -6.466 1.00 0.00 O ATOM 0 H GLU A 10 -5.960 5.128 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.228 7.799 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.183 5.017 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.166 6.468 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.649 6.147 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.259 5.760 -6.983 1.00 0.00 H new ATOM 158 N ASN A 11 -8.181 5.263 -2.148 1.00 0.00 N ATOM 159 CA ASN A 11 -8.451 4.738 -0.851 1.00 0.00 C ATOM 160 C ASN A 11 -8.610 3.367 -1.394 1.00 0.00 C ATOM 161 O ASN A 11 -9.371 3.261 -2.354 1.00 0.00 O ATOM 162 CB ASN A 11 -9.798 5.254 -0.263 1.00 0.00 C ATOM 163 CG ASN A 11 -9.933 4.991 1.238 1.00 0.00 C ATOM 164 OD1 ASN A 11 -10.109 5.941 2.007 1.00 0.00 O ATOM 165 ND2 ASN A 11 -9.888 3.708 1.675 1.00 0.00 N ATOM 0 H ASN A 11 -8.430 4.618 -2.898 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.748 4.940 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.883 6.325 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.625 4.774 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.001 3.503 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.741 2.948 1.011 1.00 0.00 H new ATOM 172 N CYS A 12 -7.864 2.344 -0.924 1.00 0.00 N ATOM 173 CA CYS A 12 -7.991 1.004 -1.452 1.00 0.00 C ATOM 174 C CYS A 12 -7.089 0.230 -0.544 1.00 0.00 C ATOM 175 O CYS A 12 -6.674 0.762 0.485 1.00 0.00 O ATOM 176 CB CYS A 12 -7.540 0.840 -2.943 1.00 0.00 C ATOM 177 SG CYS A 12 -8.871 0.951 -4.171 1.00 0.00 S ATOM 0 H CYS A 12 -7.173 2.439 -0.180 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.032 0.680 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.796 1.605 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.047 -0.126 -3.052 1.00 0.00 H new ATOM 182 N VAL A 13 -6.740 -1.019 -0.918 1.00 0.00 N ATOM 183 CA VAL A 13 -5.613 -1.756 -0.433 1.00 0.00 C ATOM 184 C VAL A 13 -5.003 -2.050 -1.771 1.00 0.00 C ATOM 185 O VAL A 13 -5.675 -1.867 -2.790 1.00 0.00 O ATOM 186 CB VAL A 13 -5.925 -3.082 0.251 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.287 -2.851 1.725 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.038 -3.845 -0.486 1.00 0.00 C ATOM 0 H VAL A 13 -7.282 -1.545 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.044 -1.221 0.327 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.030 -3.703 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.507 -3.807 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.449 -2.377 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.162 -2.205 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.236 -4.786 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.945 -3.241 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.723 -4.050 -1.509 1.00 0.00 H new ATOM 198 N TYR A 14 -3.745 -2.528 -1.820 1.00 0.00 N ATOM 199 CA TYR A 14 -3.235 -3.160 -3.016 1.00 0.00 C ATOM 200 C TYR A 14 -3.598 -4.614 -2.865 1.00 0.00 C ATOM 201 O TYR A 14 -4.492 -4.960 -2.100 1.00 0.00 O ATOM 202 CB TYR A 14 -1.715 -2.932 -3.258 1.00 0.00 C ATOM 203 CG TYR A 14 -1.405 -2.301 -4.597 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.965 -2.778 -5.801 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.519 -1.214 -4.660 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.689 -2.144 -7.022 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.250 -0.570 -5.874 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.843 -1.026 -7.056 1.00 0.00 C ATOM 209 OH TYR A 14 -0.571 -0.359 -8.270 1.00 0.00 O ATOM 0 H TYR A 14 -3.082 -2.482 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.678 -2.719 -3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.320 -2.296 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.197 -3.888 -3.187 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.614 -3.641 -5.783 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.037 -0.869 -3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.128 -2.517 -7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.416 0.280 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.341 -0.446 -8.870 1.00 0.00 H new ATOM 219 N HIS A 15 -2.924 -5.529 -3.568 1.00 0.00 N ATOM 220 CA HIS A 15 -3.045 -6.917 -3.311 1.00 0.00 C ATOM 221 C HIS A 15 -1.611 -7.210 -3.511 1.00 0.00 C ATOM 222 O HIS A 15 -0.889 -6.380 -4.075 1.00 0.00 O ATOM 223 CB HIS A 15 -3.936 -7.698 -4.294 1.00 0.00 C ATOM 224 CG HIS A 15 -5.369 -7.269 -4.146 1.00 0.00 C ATOM 225 ND1 HIS A 15 -6.030 -6.521 -5.082 1.00 0.00 N ATOM 226 CD2 HIS A 15 -6.202 -7.411 -3.089 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.230 -6.218 -4.604 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.360 -6.748 -3.395 1.00 0.00 N ATOM 0 H HIS A 15 -2.284 -5.299 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.517 -7.188 -2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.601 -7.525 -5.317 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.847 -8.768 -4.106 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.992 -7.947 -2.175 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.980 -5.634 -5.117 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.182 -6.674 -2.796 1.00 0.00 H new ATOM 237 N CYS A 16 -1.157 -8.344 -2.993 1.00 0.00 N ATOM 238 CA CYS A 16 0.192 -8.764 -3.074 1.00 0.00 C ATOM 239 C CYS A 16 -0.119 -10.186 -2.776 1.00 0.00 C ATOM 240 O CYS A 16 -1.248 -10.612 -3.022 1.00 0.00 O ATOM 241 CB CYS A 16 1.095 -8.086 -2.032 1.00 0.00 C ATOM 242 SG CYS A 16 2.848 -8.530 -2.123 1.00 0.00 S ATOM 0 H CYS A 16 -1.756 -9.002 -2.493 1.00 0.00 H new ATOM 0 HA CYS A 16 0.751 -8.551 -3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.004 -7.006 -2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.725 -8.335 -1.037 1.00 0.00 H new ATOM 247 N PHE A 17 0.824 -10.946 -2.215 1.00 0.00 N ATOM 248 CA PHE A 17 0.766 -12.357 -2.139 1.00 0.00 C ATOM 249 C PHE A 17 1.478 -12.556 -0.838 1.00 0.00 C ATOM 250 O PHE A 17 2.016 -11.563 -0.337 1.00 0.00 O ATOM 251 CB PHE A 17 1.625 -12.968 -3.274 1.00 0.00 C ATOM 252 CG PHE A 17 1.289 -12.332 -4.607 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.070 -12.606 -5.256 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.138 -11.351 -5.159 1.00 0.00 C ATOM 255 CE1 PHE A 17 -0.252 -11.982 -6.468 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.816 -10.724 -6.366 1.00 0.00 C ATOM 257 CZ PHE A 17 0.630 -11.050 -7.031 1.00 0.00 C ATOM 0 H PHE A 17 1.667 -10.555 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.230 -12.794 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.683 -12.823 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.455 -14.043 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.625 -13.305 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.048 -11.081 -4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.179 -12.219 -6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.484 -9.987 -6.786 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.394 -10.584 -7.977 1.00 0.00 H new ATOM 267 N PRO A 18 1.580 -13.745 -0.271 1.00 0.00 N ATOM 268 CA PRO A 18 2.468 -14.032 0.853 1.00 0.00 C ATOM 269 C PRO A 18 3.950 -13.968 0.511 1.00 0.00 C ATOM 270 O PRO A 18 4.701 -14.840 0.942 1.00 0.00 O ATOM 271 CB PRO A 18 2.093 -15.473 1.245 1.00 0.00 C ATOM 272 CG PRO A 18 0.612 -15.588 0.875 1.00 0.00 C ATOM 273 CD PRO A 18 0.513 -14.741 -0.395 1.00 0.00 C ATOM 0 HA PRO A 18 2.338 -13.289 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.696 -16.203 0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.253 -15.651 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.319 -16.622 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.033 -15.207 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.645 -15.352 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.464 -14.265 -0.476 1.00 0.00 H new ATOM 281 N GLY A 19 4.407 -12.952 -0.238 1.00 0.00 N ATOM 282 CA GLY A 19 5.775 -12.790 -0.601 1.00 0.00 C ATOM 283 C GLY A 19 5.672 -11.491 -1.308 1.00 0.00 C ATOM 284 O GLY A 19 4.622 -11.199 -1.878 1.00 0.00 O ATOM 0 H GLY A 19 3.801 -12.217 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.438 -12.748 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.138 -13.592 -1.243 1.00 0.00 H new ATOM 288 N SER A 20 6.727 -10.660 -1.242 1.00 0.00 N ATOM 289 CA SER A 20 6.676 -9.267 -1.580 1.00 0.00 C ATOM 290 C SER A 20 6.723 -8.997 -3.052 1.00 0.00 C ATOM 291 O SER A 20 6.412 -7.885 -3.471 1.00 0.00 O ATOM 292 CB SER A 20 7.884 -8.530 -0.955 1.00 0.00 C ATOM 293 OG SER A 20 8.186 -9.082 0.323 1.00 0.00 O ATOM 0 H SER A 20 7.652 -10.968 -0.942 1.00 0.00 H new ATOM 0 HA SER A 20 5.721 -8.913 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.751 -8.615 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.661 -7.468 -0.857 1.00 0.00 H new ATOM 0 HG SER A 20 8.953 -8.610 0.710 1.00 0.00 H new ATOM 299 N SER A 21 7.134 -9.995 -3.863 1.00 0.00 N ATOM 300 CA SER A 21 7.790 -9.867 -5.142 1.00 0.00 C ATOM 301 C SER A 21 7.301 -8.776 -6.064 1.00 0.00 C ATOM 302 O SER A 21 8.077 -7.910 -6.467 1.00 0.00 O ATOM 303 CB SER A 21 7.742 -11.235 -5.858 1.00 0.00 C ATOM 304 OG SER A 21 8.010 -12.264 -4.907 1.00 0.00 O ATOM 0 H SER A 21 6.997 -10.972 -3.605 1.00 0.00 H new ATOM 0 HA SER A 21 8.806 -9.551 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.764 -11.388 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.476 -11.265 -6.663 1.00 0.00 H new ATOM 0 HG SER A 21 7.980 -13.137 -5.352 1.00 0.00 H new ATOM 310 N GLY A 22 5.997 -8.765 -6.411 1.00 0.00 N ATOM 311 CA GLY A 22 5.488 -7.821 -7.383 1.00 0.00 C ATOM 312 C GLY A 22 5.314 -6.461 -6.776 1.00 0.00 C ATOM 313 O GLY A 22 5.533 -5.437 -7.429 1.00 0.00 O ATOM 0 H GLY A 22 5.296 -9.399 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.173 -7.760 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.533 -8.174 -7.772 1.00 0.00 H new ATOM 317 N CYS A 23 4.932 -6.409 -5.480 1.00 0.00 N ATOM 318 CA CYS A 23 4.590 -5.161 -4.850 1.00 0.00 C ATOM 319 C CYS A 23 5.844 -4.496 -4.368 1.00 0.00 C ATOM 320 O CYS A 23 5.829 -3.314 -4.049 1.00 0.00 O ATOM 321 CB CYS A 23 3.591 -5.299 -3.681 1.00 0.00 C ATOM 322 SG CYS A 23 2.665 -3.759 -3.381 1.00 0.00 S ATOM 0 H CYS A 23 4.860 -7.225 -4.872 1.00 0.00 H new ATOM 0 HA CYS A 23 4.087 -4.557 -5.605 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.891 -6.106 -3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.130 -5.579 -2.776 1.00 0.00 H new ATOM 327 N ASP A 24 6.977 -5.232 -4.354 1.00 0.00 N ATOM 328 CA ASP A 24 8.296 -4.720 -4.065 1.00 0.00 C ATOM 329 C ASP A 24 8.630 -3.713 -5.136 1.00 0.00 C ATOM 330 O ASP A 24 8.997 -2.578 -4.842 1.00 0.00 O ATOM 331 CB ASP A 24 9.349 -5.862 -4.033 1.00 0.00 C ATOM 332 CG ASP A 24 10.677 -5.406 -3.426 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.693 -5.122 -2.198 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.689 -5.351 -4.174 1.00 0.00 O ATOM 0 H ASP A 24 6.977 -6.232 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 24 8.312 -4.253 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.957 -6.700 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.520 -6.225 -5.047 1.00 0.00 H new ATOM 339 N THR A 25 8.418 -4.086 -6.418 1.00 0.00 N ATOM 340 CA THR A 25 8.517 -3.175 -7.534 1.00 0.00 C ATOM 341 C THR A 25 7.564 -1.999 -7.405 1.00 0.00 C ATOM 342 O THR A 25 7.980 -0.853 -7.573 1.00 0.00 O ATOM 343 CB THR A 25 8.291 -3.878 -8.868 1.00 0.00 C ATOM 344 OG1 THR A 25 7.807 -5.209 -8.679 1.00 0.00 O ATOM 345 CG2 THR A 25 9.644 -3.964 -9.603 1.00 0.00 C ATOM 0 H THR A 25 8.173 -5.039 -6.688 1.00 0.00 H new ATOM 0 HA THR A 25 9.537 -2.791 -7.513 1.00 0.00 H new ATOM 0 HB THR A 25 7.553 -3.313 -9.438 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.945 -5.181 -8.215 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.506 -4.464 -10.562 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.032 -2.959 -9.770 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.352 -4.530 -8.997 1.00 0.00 H new ATOM 353 N LEU A 26 6.268 -2.253 -7.091 1.00 0.00 N ATOM 354 CA LEU A 26 5.246 -1.217 -7.032 1.00 0.00 C ATOM 355 C LEU A 26 5.538 -0.217 -5.945 1.00 0.00 C ATOM 356 O LEU A 26 5.414 0.993 -6.125 1.00 0.00 O ATOM 357 CB LEU A 26 3.833 -1.778 -6.741 1.00 0.00 C ATOM 358 CG LEU A 26 3.292 -2.743 -7.820 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.978 -3.404 -7.366 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.107 -2.053 -9.184 1.00 0.00 C ATOM 0 H LEU A 26 5.919 -3.187 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 26 5.266 -0.753 -8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.853 -2.298 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.139 -0.944 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 26 4.045 -3.520 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.621 -4.077 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.152 -3.969 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.229 -2.634 -7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.725 -2.773 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.399 -1.230 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.066 -1.666 -9.529 1.00 0.00 H new ATOM 372 N CYS A 27 5.969 -0.725 -4.770 1.00 0.00 N ATOM 373 CA CYS A 27 6.359 0.053 -3.617 1.00 0.00 C ATOM 374 C CYS A 27 7.501 0.949 -3.996 1.00 0.00 C ATOM 375 O CYS A 27 7.483 2.149 -3.726 1.00 0.00 O ATOM 376 CB CYS A 27 6.790 -0.856 -2.425 1.00 0.00 C ATOM 377 SG CYS A 27 7.014 -0.018 -0.836 1.00 0.00 S ATOM 0 H CYS A 27 6.051 -1.729 -4.612 1.00 0.00 H new ATOM 0 HA CYS A 27 5.499 0.640 -3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.041 -1.638 -2.300 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.725 -1.350 -2.689 1.00 0.00 H new ATOM 382 N LYS A 28 8.519 0.393 -4.683 1.00 0.00 N ATOM 383 CA LYS A 28 9.721 1.125 -4.977 1.00 0.00 C ATOM 384 C LYS A 28 9.475 2.193 -6.003 1.00 0.00 C ATOM 385 O LYS A 28 9.957 3.312 -5.833 1.00 0.00 O ATOM 386 CB LYS A 28 10.890 0.188 -5.342 1.00 0.00 C ATOM 387 CG LYS A 28 11.420 -0.474 -4.056 1.00 0.00 C ATOM 388 CD LYS A 28 12.369 -1.662 -4.259 1.00 0.00 C ATOM 389 CE LYS A 28 13.092 -2.078 -2.966 1.00 0.00 C ATOM 390 NZ LYS A 28 12.140 -2.366 -1.865 1.00 0.00 N ATOM 0 H LYS A 28 8.512 -0.564 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 28 10.028 1.640 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.557 -0.573 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.685 0.750 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.937 0.283 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.568 -0.811 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.803 -2.511 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.109 -1.404 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.701 -2.961 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.772 -1.283 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.669 -2.576 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.530 -1.538 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.553 -3.186 -2.120 1.00 0.00 H new ATOM 404 N GLU A 29 8.670 1.917 -7.054 1.00 0.00 N ATOM 405 CA GLU A 29 8.411 2.904 -8.087 1.00 0.00 C ATOM 406 C GLU A 29 7.530 4.039 -7.601 1.00 0.00 C ATOM 407 O GLU A 29 7.512 5.108 -8.210 1.00 0.00 O ATOM 408 CB GLU A 29 7.831 2.308 -9.395 1.00 0.00 C ATOM 409 CG GLU A 29 6.420 1.714 -9.285 1.00 0.00 C ATOM 410 CD GLU A 29 6.047 1.054 -10.609 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.887 1.798 -11.613 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.914 -0.198 -10.635 1.00 0.00 O ATOM 0 H GLU A 29 8.200 1.023 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 29 9.396 3.305 -8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.819 3.089 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.507 1.530 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.383 0.983 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.702 2.496 -9.040 1.00 0.00 H new ATOM 419 N LYS A 30 6.801 3.848 -6.475 1.00 0.00 N ATOM 420 CA LYS A 30 6.007 4.894 -5.865 1.00 0.00 C ATOM 421 C LYS A 30 6.765 5.539 -4.732 1.00 0.00 C ATOM 422 O LYS A 30 6.291 6.503 -4.133 1.00 0.00 O ATOM 423 CB LYS A 30 4.643 4.380 -5.357 1.00 0.00 C ATOM 424 CG LYS A 30 3.757 3.893 -6.519 1.00 0.00 C ATOM 425 CD LYS A 30 2.345 3.471 -6.084 1.00 0.00 C ATOM 426 CE LYS A 30 1.442 3.050 -7.253 1.00 0.00 C ATOM 427 NZ LYS A 30 2.002 1.887 -7.983 1.00 0.00 N ATOM 0 H LYS A 30 6.760 2.958 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 30 5.810 5.633 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.800 3.565 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.131 5.176 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.677 4.688 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.245 3.049 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.423 2.643 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.875 4.298 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.450 2.801 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.321 3.888 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.268 1.159 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.329 2.191 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.803 1.494 -7.448 1.00 0.00 H new ATOM 441 N GLY A 31 7.990 5.047 -4.442 1.00 0.00 N ATOM 442 CA GLY A 31 8.925 5.723 -3.580 1.00 0.00 C ATOM 443 C GLY A 31 8.845 5.235 -2.171 1.00 0.00 C ATOM 444 O GLY A 31 9.050 6.015 -1.242 1.00 0.00 O ATOM 0 H GLY A 31 8.339 4.163 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.937 5.576 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.729 6.795 -3.603 1.00 0.00 H new ATOM 448 N GLY A 32 8.551 3.934 -1.962 1.00 0.00 N ATOM 449 CA GLY A 32 8.680 3.299 -0.676 1.00 0.00 C ATOM 450 C GLY A 32 9.912 2.468 -0.783 1.00 0.00 C ATOM 451 O GLY A 32 10.060 1.670 -1.708 1.00 0.00 O ATOM 0 H GLY A 32 8.218 3.310 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.768 4.036 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.808 2.686 -0.448 1.00 0.00 H new ATOM 455 N THR A 33 10.866 2.661 0.147 1.00 0.00 N ATOM 456 CA THR A 33 12.211 2.178 -0.016 1.00 0.00 C ATOM 457 C THR A 33 12.393 0.907 0.772 1.00 0.00 C ATOM 458 O THR A 33 13.490 0.354 0.881 1.00 0.00 O ATOM 459 CB THR A 33 13.186 3.250 0.429 1.00 0.00 C ATOM 460 OG1 THR A 33 12.765 3.825 1.665 1.00 0.00 O ATOM 461 CG2 THR A 33 13.191 4.350 -0.654 1.00 0.00 C ATOM 0 H THR A 33 10.706 3.157 1.024 1.00 0.00 H new ATOM 0 HA THR A 33 12.404 1.953 -1.065 1.00 0.00 H new ATOM 0 HB THR A 33 14.177 2.817 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.405 4.514 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.884 5.141 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.504 3.922 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.188 4.765 -0.755 1.00 0.00 H new ATOM 469 N SER A 34 11.306 0.391 1.354 1.00 0.00 N ATOM 470 CA SER A 34 11.271 -0.924 1.900 1.00 0.00 C ATOM 471 C SER A 34 9.807 -1.114 1.918 1.00 0.00 C ATOM 472 O SER A 34 9.073 -0.122 1.872 1.00 0.00 O ATOM 473 CB SER A 34 11.842 -1.042 3.326 1.00 0.00 C ATOM 474 OG SER A 34 13.258 -0.950 3.263 1.00 0.00 O ATOM 0 H SER A 34 10.427 0.900 1.449 1.00 0.00 H new ATOM 0 HA SER A 34 11.870 -1.645 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.441 -0.251 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.545 -1.990 3.774 1.00 0.00 H new ATOM 0 HG SER A 34 13.516 -0.384 2.506 1.00 0.00 H new ATOM 480 N GLY A 35 9.351 -2.375 1.963 1.00 0.00 N ATOM 481 CA GLY A 35 7.969 -2.686 1.901 1.00 0.00 C ATOM 482 C GLY A 35 8.031 -4.125 2.217 1.00 0.00 C ATOM 483 O GLY A 35 9.134 -4.651 2.390 1.00 0.00 O ATOM 0 H GLY A 35 9.957 -3.191 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.380 -2.123 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.539 -2.491 0.919 1.00 0.00 H new ATOM 487 N HIS A 36 6.863 -4.777 2.306 1.00 0.00 N ATOM 488 CA HIS A 36 6.697 -6.157 2.646 1.00 0.00 C ATOM 489 C HIS A 36 5.280 -6.290 2.199 1.00 0.00 C ATOM 490 O HIS A 36 4.746 -5.329 1.637 1.00 0.00 O ATOM 491 CB HIS A 36 6.793 -6.486 4.158 1.00 0.00 C ATOM 492 CG HIS A 36 8.158 -6.204 4.720 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.422 -5.165 5.574 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.339 -6.814 4.458 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.725 -5.147 5.818 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.305 -6.138 5.154 1.00 0.00 N ATOM 0 H HIS A 36 5.973 -4.311 2.129 1.00 0.00 H new ATOM 0 HA HIS A 36 7.456 -6.809 2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.051 -5.901 4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.548 -7.537 4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.490 -7.672 3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.233 -4.439 6.456 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.301 -6.359 5.161 1.00 0.00 H new ATOM 505 N CYS A 37 4.612 -7.426 2.454 1.00 0.00 N ATOM 506 CA CYS A 37 3.222 -7.585 2.156 1.00 0.00 C ATOM 507 C CYS A 37 2.778 -8.347 3.341 1.00 0.00 C ATOM 508 O CYS A 37 3.614 -8.963 4.000 1.00 0.00 O ATOM 509 CB CYS A 37 2.937 -8.388 0.875 1.00 0.00 C ATOM 510 SG CYS A 37 3.548 -7.472 -0.568 1.00 0.00 S ATOM 0 H CYS A 37 5.043 -8.250 2.874 1.00 0.00 H new ATOM 0 HA CYS A 37 2.723 -6.633 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.420 -9.363 0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.866 -8.568 0.777 1.00 0.00 H new ATOM 515 N GLY A 38 1.477 -8.278 3.669 1.00 0.00 N ATOM 516 CA GLY A 38 0.968 -8.775 4.903 1.00 0.00 C ATOM 517 C GLY A 38 -0.401 -8.217 4.812 1.00 0.00 C ATOM 518 O GLY A 38 -0.776 -7.717 3.747 1.00 0.00 O ATOM 0 H GLY A 38 0.766 -7.868 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.979 -9.864 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.519 -8.406 5.768 1.00 0.00 H new ATOM 522 N PHE A 39 -1.170 -8.264 5.912 1.00 0.00 N ATOM 523 CA PHE A 39 -2.521 -7.806 5.939 1.00 0.00 C ATOM 524 C PHE A 39 -2.615 -7.446 7.388 1.00 0.00 C ATOM 525 O PHE A 39 -1.610 -7.553 8.095 1.00 0.00 O ATOM 526 CB PHE A 39 -3.530 -8.925 5.542 1.00 0.00 C ATOM 527 CG PHE A 39 -4.986 -8.510 5.530 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.463 -7.473 4.710 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.897 -9.173 6.373 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.831 -7.181 4.657 1.00 0.00 C ATOM 531 CE2 PHE A 39 -7.256 -8.848 6.360 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.728 -7.872 5.480 1.00 0.00 C ATOM 0 H PHE A 39 -0.843 -8.630 6.806 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.759 -7.004 5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.266 -9.294 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.413 -9.759 6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.769 -6.897 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.541 -9.944 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.195 -6.422 3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.939 -9.350 7.029 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.784 -7.650 5.434 1.00 0.00 H new ATOM 542 N LYS A 40 -3.819 -7.000 7.786 1.00 0.00 N ATOM 543 CA LYS A 40 -4.337 -6.550 9.049 1.00 0.00 C ATOM 544 C LYS A 40 -4.919 -5.241 8.621 1.00 0.00 C ATOM 545 O LYS A 40 -4.456 -4.161 8.983 1.00 0.00 O ATOM 546 CB LYS A 40 -3.397 -6.406 10.274 1.00 0.00 C ATOM 547 CG LYS A 40 -4.088 -5.886 11.556 1.00 0.00 C ATOM 548 CD LYS A 40 -5.338 -6.676 11.995 1.00 0.00 C ATOM 549 CE LYS A 40 -6.079 -6.040 13.180 1.00 0.00 C ATOM 550 NZ LYS A 40 -6.616 -4.705 12.819 1.00 0.00 N ATOM 0 H LYS A 40 -4.562 -6.948 7.089 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.999 -7.302 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.947 -7.376 10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.584 -5.728 10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.364 -5.900 12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.372 -4.845 11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.022 -6.757 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.042 -7.690 12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.895 -6.691 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.401 -5.946 14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.290 -4.394 13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.834 -4.022 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.100 -4.762 11.900 1.00 0.00 H new ATOM 564 N VAL A 41 -5.929 -5.331 7.736 1.00 0.00 N ATOM 565 CA VAL A 41 -6.537 -4.217 7.080 1.00 0.00 C ATOM 566 C VAL A 41 -7.936 -4.774 7.015 1.00 0.00 C ATOM 567 O VAL A 41 -8.203 -5.787 7.661 1.00 0.00 O ATOM 568 CB VAL A 41 -5.958 -3.918 5.688 1.00 0.00 C ATOM 569 CG1 VAL A 41 -6.293 -2.478 5.278 1.00 0.00 C ATOM 570 CG2 VAL A 41 -4.424 -4.102 5.678 1.00 0.00 C ATOM 0 H VAL A 41 -6.340 -6.224 7.466 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.410 -3.254 7.574 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.403 -4.618 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.879 -2.275 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.375 -2.350 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.863 -1.785 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.038 -3.885 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.971 -3.422 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.179 -5.130 5.946 1.00 0.00 H new ATOM 580 N GLY A 42 -8.850 -4.171 6.229 1.00 0.00 N ATOM 581 CA GLY A 42 -10.225 -4.591 6.167 1.00 0.00 C ATOM 582 C GLY A 42 -10.607 -4.500 4.733 1.00 0.00 C ATOM 583 O GLY A 42 -11.392 -3.640 4.347 1.00 0.00 O ATOM 0 H GLY A 42 -8.634 -3.378 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.341 -5.609 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.858 -3.952 6.783 1.00 0.00 H new ATOM 587 N HIS A 43 -10.017 -5.394 3.919 1.00 0.00 N ATOM 588 CA HIS A 43 -10.345 -5.573 2.535 1.00 0.00 C ATOM 589 C HIS A 43 -9.838 -6.970 2.301 1.00 0.00 C ATOM 590 O HIS A 43 -10.449 -7.905 2.805 1.00 0.00 O ATOM 591 CB HIS A 43 -9.725 -4.539 1.564 1.00 0.00 C ATOM 592 CG HIS A 43 -10.409 -3.190 1.605 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.720 -2.008 1.618 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.727 -2.879 1.587 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.594 -1.010 1.628 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.821 -1.511 1.608 1.00 0.00 N ATOM 0 H HIS A 43 -9.278 -6.021 4.238 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.406 -5.424 2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.670 -4.411 1.807 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.773 -4.931 0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.550 -3.578 1.561 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.346 0.041 1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.687 -0.972 1.608 1.00 0.00 H new ATOM 605 N GLY A 44 -8.715 -7.172 1.571 1.00 0.00 N ATOM 606 CA GLY A 44 -8.309 -8.503 1.155 1.00 0.00 C ATOM 607 C GLY A 44 -6.947 -8.858 1.667 1.00 0.00 C ATOM 608 O GLY A 44 -6.790 -9.715 2.532 1.00 0.00 O ATOM 0 H GLY A 44 -8.089 -6.425 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.034 -9.233 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.314 -8.560 0.067 1.00 0.00 H new ATOM 612 N LEU A 45 -5.912 -8.208 1.118 1.00 0.00 N ATOM 613 CA LEU A 45 -4.540 -8.346 1.512 1.00 0.00 C ATOM 614 C LEU A 45 -4.149 -6.940 1.151 1.00 0.00 C ATOM 615 O LEU A 45 -5.025 -6.203 0.693 1.00 0.00 O ATOM 616 CB LEU A 45 -3.733 -9.424 0.742 1.00 0.00 C ATOM 617 CG LEU A 45 -2.451 -9.904 1.471 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.590 -11.334 2.033 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.209 -9.814 0.574 1.00 0.00 C ATOM 0 H LEU A 45 -6.035 -7.545 0.353 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.362 -8.686 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.378 -10.284 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.454 -9.025 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.320 -9.223 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.665 -11.620 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.413 -11.366 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.791 -12.028 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.335 -10.160 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.351 -10.438 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.057 -8.780 0.266 1.00 0.00 H new ATOM 631 N ALA A 46 -2.890 -6.510 1.335 1.00 0.00 N ATOM 632 CA ALA A 46 -2.498 -5.172 1.001 1.00 0.00 C ATOM 633 C ALA A 46 -1.036 -5.370 0.823 1.00 0.00 C ATOM 634 O ALA A 46 -0.595 -6.514 0.931 1.00 0.00 O ATOM 635 CB ALA A 46 -2.750 -4.164 2.140 1.00 0.00 C ATOM 0 H ALA A 46 -2.140 -7.087 1.715 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.043 -4.761 0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.432 -3.171 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.813 -4.145 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.183 -4.463 3.022 1.00 0.00 H new ATOM 641 N CYS A 47 -0.241 -4.294 0.600 1.00 0.00 N ATOM 642 CA CYS A 47 1.193 -4.459 0.740 1.00 0.00 C ATOM 643 C CYS A 47 1.507 -3.552 1.875 1.00 0.00 C ATOM 644 O CYS A 47 0.600 -2.906 2.397 1.00 0.00 O ATOM 645 CB CYS A 47 2.087 -4.094 -0.473 1.00 0.00 C ATOM 646 SG CYS A 47 1.255 -4.326 -2.056 1.00 0.00 S ATOM 0 H CYS A 47 -0.561 -3.362 0.338 1.00 0.00 H new ATOM 0 HA CYS A 47 1.415 -5.519 0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.404 -3.055 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.989 -4.706 -0.450 1.00 0.00 H new ATOM 651 N TRP A 48 2.794 -3.457 2.257 1.00 0.00 N ATOM 652 CA TRP A 48 3.276 -2.539 3.255 1.00 0.00 C ATOM 653 C TRP A 48 4.304 -1.747 2.511 1.00 0.00 C ATOM 654 O TRP A 48 4.881 -2.268 1.559 1.00 0.00 O ATOM 655 CB TRP A 48 3.903 -3.270 4.480 1.00 0.00 C ATOM 656 CG TRP A 48 4.562 -2.386 5.529 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.840 -1.900 5.535 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.913 -1.821 6.679 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.016 -1.039 6.589 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.847 -0.976 7.310 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.623 -1.966 7.185 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.513 -0.257 8.451 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.284 -1.244 8.340 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.215 -0.401 8.964 1.00 0.00 C ATOM 0 H TRP A 48 3.530 -4.040 1.858 1.00 0.00 H new ATOM 0 HA TRP A 48 2.480 -1.930 3.682 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.122 -3.854 4.967 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.647 -3.977 4.112 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.602 -2.157 4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.873 -0.529 6.802 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.906 -2.614 6.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.231 0.393 8.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.291 -1.339 8.754 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.929 0.145 9.851 1.00 0.00 H new ATOM 675 N CYS A 49 4.570 -0.486 2.932 1.00 0.00 N ATOM 676 CA CYS A 49 5.674 0.288 2.420 1.00 0.00 C ATOM 677 C CYS A 49 6.156 1.113 3.574 1.00 0.00 C ATOM 678 O CYS A 49 5.360 1.517 4.422 1.00 0.00 O ATOM 679 CB CYS A 49 5.314 1.263 1.283 1.00 0.00 C ATOM 680 SG CYS A 49 5.115 0.423 -0.308 1.00 0.00 S ATOM 0 H CYS A 49 4.014 0.001 3.634 1.00 0.00 H new ATOM 0 HA CYS A 49 6.403 -0.408 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.390 1.784 1.534 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.094 2.020 1.196 1.00 0.00 H new ATOM 685 N ASN A 50 7.480 1.382 3.613 1.00 0.00 N ATOM 686 CA ASN A 50 8.101 2.265 4.567 1.00 0.00 C ATOM 687 C ASN A 50 8.612 3.415 3.756 1.00 0.00 C ATOM 688 O ASN A 50 9.109 3.220 2.648 1.00 0.00 O ATOM 689 CB ASN A 50 9.349 1.665 5.288 1.00 0.00 C ATOM 690 CG ASN A 50 9.037 1.300 6.745 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.123 0.511 7.009 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.820 1.866 7.709 1.00 0.00 N ATOM 0 H ASN A 50 8.144 0.970 2.957 1.00 0.00 H new ATOM 0 HA ASN A 50 7.366 2.502 5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.687 0.777 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.167 2.384 5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.661 1.642 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.564 2.513 7.447 1.00 0.00 H new ATOM 699 N ALA A 51 8.543 4.627 4.350 1.00 0.00 N ATOM 700 CA ALA A 51 9.182 5.848 3.922 1.00 0.00 C ATOM 701 C ALA A 51 8.574 6.375 2.662 1.00 0.00 C ATOM 702 O ALA A 51 9.273 6.856 1.772 1.00 0.00 O ATOM 703 CB ALA A 51 10.716 5.760 3.784 1.00 0.00 C ATOM 0 H ALA A 51 7.996 4.766 5.199 1.00 0.00 H new ATOM 0 HA ALA A 51 8.997 6.551 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.108 6.724 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.153 5.497 4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.972 4.997 3.049 1.00 0.00 H new ATOM 709 N LEU A 52 7.226 6.343 2.582 1.00 0.00 N ATOM 710 CA LEU A 52 6.542 6.861 1.420 1.00 0.00 C ATOM 711 C LEU A 52 6.411 8.342 1.644 1.00 0.00 C ATOM 712 O LEU A 52 6.099 8.736 2.766 1.00 0.00 O ATOM 713 CB LEU A 52 5.104 6.331 1.201 1.00 0.00 C ATOM 714 CG LEU A 52 5.027 4.912 0.602 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.598 4.362 0.729 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.469 4.860 -0.873 1.00 0.00 C ATOM 0 H LEU A 52 6.615 5.966 3.306 1.00 0.00 H new ATOM 0 HA LEU A 52 7.123 6.557 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.579 6.337 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.574 7.019 0.542 1.00 0.00 H new ATOM 0 HG LEU A 52 5.721 4.294 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.555 3.360 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.316 4.322 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.908 5.014 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.393 3.836 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.825 5.507 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.501 5.200 -0.956 1.00 0.00 H new ATOM 728 N PRO A 53 6.626 9.202 0.661 1.00 0.00 N ATOM 729 CA PRO A 53 6.456 10.629 0.834 1.00 0.00 C ATOM 730 C PRO A 53 4.991 10.978 0.898 1.00 0.00 C ATOM 731 O PRO A 53 4.134 10.141 0.620 1.00 0.00 O ATOM 732 CB PRO A 53 7.161 11.246 -0.385 1.00 0.00 C ATOM 733 CG PRO A 53 7.165 10.148 -1.461 1.00 0.00 C ATOM 734 CD PRO A 53 7.156 8.848 -0.658 1.00 0.00 C ATOM 0 HA PRO A 53 6.880 11.007 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.635 12.134 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.176 11.554 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.293 10.222 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.046 10.217 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.534 8.094 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.160 8.430 -0.578 1.00 0.00 H new ATOM 742 N ASP A 54 4.689 12.226 1.284 1.00 0.00 N ATOM 743 CA ASP A 54 3.356 12.694 1.578 1.00 0.00 C ATOM 744 C ASP A 54 2.446 12.762 0.371 1.00 0.00 C ATOM 745 O ASP A 54 1.248 12.995 0.515 1.00 0.00 O ATOM 746 CB ASP A 54 3.387 14.118 2.178 1.00 0.00 C ATOM 747 CG ASP A 54 4.159 14.158 3.501 1.00 0.00 C ATOM 748 OD1 ASP A 54 5.415 14.047 3.464 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.504 14.309 4.567 1.00 0.00 O ATOM 0 H ASP A 54 5.399 12.949 1.399 1.00 0.00 H new ATOM 0 HA ASP A 54 2.964 11.959 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.848 14.803 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.367 14.467 2.341 1.00 0.00 H new ATOM 754 N ASN A 55 2.988 12.577 -0.852 1.00 0.00 N ATOM 755 CA ASN A 55 2.221 12.685 -2.074 1.00 0.00 C ATOM 756 C ASN A 55 1.652 11.348 -2.472 1.00 0.00 C ATOM 757 O ASN A 55 0.993 11.250 -3.507 1.00 0.00 O ATOM 758 CB ASN A 55 3.042 13.235 -3.275 1.00 0.00 C ATOM 759 CG ASN A 55 4.263 12.353 -3.582 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.214 12.363 -2.794 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.220 11.584 -4.708 1.00 0.00 N ATOM 0 H ASN A 55 3.971 12.349 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 55 1.426 13.396 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.403 13.292 -4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.373 14.250 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.003 10.973 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.405 11.620 -5.320 1.00 0.00 H new ATOM 768 N VAL A 56 1.917 10.284 -1.686 1.00 0.00 N ATOM 769 CA VAL A 56 1.411 8.964 -1.972 1.00 0.00 C ATOM 770 C VAL A 56 0.221 8.830 -1.056 1.00 0.00 C ATOM 771 O VAL A 56 -0.068 9.741 -0.285 1.00 0.00 O ATOM 772 CB VAL A 56 2.463 7.872 -1.780 1.00 0.00 C ATOM 773 CG1 VAL A 56 2.122 6.626 -2.633 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.838 8.447 -2.191 1.00 0.00 C ATOM 0 H VAL A 56 2.488 10.336 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 56 1.131 8.838 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 56 2.484 7.560 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.884 5.861 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.150 6.234 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.092 6.904 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.605 7.683 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.806 8.756 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.074 9.308 -1.565 1.00 0.00 H new ATOM 784 N GLY A 57 -0.511 7.704 -1.105 1.00 0.00 N ATOM 785 CA GLY A 57 -1.701 7.518 -0.338 1.00 0.00 C ATOM 786 C GLY A 57 -1.577 6.081 -0.012 1.00 0.00 C ATOM 787 O GLY A 57 -0.804 5.373 -0.663 1.00 0.00 O ATOM 0 H GLY A 57 -0.270 6.905 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.725 8.146 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.603 7.739 -0.909 1.00 0.00 H new ATOM 791 N ILE A 58 -2.314 5.623 1.012 1.00 0.00 N ATOM 792 CA ILE A 58 -2.136 4.344 1.622 1.00 0.00 C ATOM 793 C ILE A 58 -3.515 4.121 2.119 1.00 0.00 C ATOM 794 O ILE A 58 -4.409 4.855 1.695 1.00 0.00 O ATOM 795 CB ILE A 58 -1.128 4.329 2.774 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.360 5.456 3.802 1.00 0.00 C ATOM 797 CG2 ILE A 58 0.304 4.384 2.206 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.470 5.287 5.033 1.00 0.00 C ATOM 0 H ILE A 58 -3.067 6.167 1.434 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.730 3.591 0.946 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.272 3.397 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.159 6.421 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.406 5.461 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.022 4.373 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.474 3.520 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.430 5.298 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.661 6.099 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.690 4.333 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.577 5.308 4.731 1.00 0.00 H new ATOM 810 N ILE A 59 -3.738 3.121 3.007 1.00 0.00 N ATOM 811 CA ILE A 59 -5.040 2.839 3.560 1.00 0.00 C ATOM 812 C ILE A 59 -5.471 4.036 4.372 1.00 0.00 C ATOM 813 O ILE A 59 -4.699 4.612 5.138 1.00 0.00 O ATOM 814 CB ILE A 59 -5.147 1.595 4.444 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.194 0.451 4.044 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.615 1.117 4.477 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.326 -0.094 2.625 1.00 0.00 C ATOM 0 H ILE A 59 -3.004 2.499 3.346 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.681 2.634 2.702 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.825 1.887 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.170 0.800 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.344 -0.375 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.695 0.230 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.246 1.908 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.942 0.875 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.600 -0.893 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.332 -0.486 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.140 0.707 1.909 1.00 0.00 H new ATOM 829 N VAL A 60 -6.729 4.431 4.162 1.00 0.00 N ATOM 830 CA VAL A 60 -7.448 5.516 4.736 1.00 0.00 C ATOM 831 C VAL A 60 -8.753 4.751 4.770 1.00 0.00 C ATOM 832 O VAL A 60 -8.816 3.668 4.174 1.00 0.00 O ATOM 833 CB VAL A 60 -7.460 6.723 3.791 1.00 0.00 C ATOM 834 CG1 VAL A 60 -8.486 7.792 4.213 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.033 7.315 3.708 1.00 0.00 C ATOM 0 H VAL A 60 -7.317 3.921 3.503 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.107 5.966 5.669 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.772 6.382 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.454 8.625 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.485 7.357 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.246 8.152 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.034 8.174 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.711 7.630 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.347 6.558 3.327 1.00 0.00 H new ATOM 845 N GLU A 61 -9.822 5.221 5.437 1.00 0.00 N ATOM 846 CA GLU A 61 -11.093 4.583 5.309 1.00 0.00 C ATOM 847 C GLU A 61 -11.955 5.772 5.532 1.00 0.00 C ATOM 848 O GLU A 61 -11.465 6.785 6.034 1.00 0.00 O ATOM 849 CB GLU A 61 -11.355 3.437 6.322 1.00 0.00 C ATOM 850 CG GLU A 61 -12.611 2.579 6.056 1.00 0.00 C ATOM 851 CD GLU A 61 -12.575 1.944 4.663 1.00 0.00 C ATOM 852 OE1 GLU A 61 -11.504 1.411 4.266 1.00 0.00 O ATOM 853 OE2 GLU A 61 -13.632 1.982 3.978 1.00 0.00 O ATOM 0 H GLU A 61 -9.807 6.031 6.056 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.241 4.048 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.485 2.780 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.439 3.871 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.685 1.797 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.503 3.199 6.151 1.00 0.00 H new ATOM 860 N GLY A 62 -13.215 5.693 5.078 1.00 0.00 N ATOM 861 CA GLY A 62 -14.074 6.829 4.917 1.00 0.00 C ATOM 862 C GLY A 62 -14.713 6.563 3.599 1.00 0.00 C ATOM 863 O GLY A 62 -15.914 6.749 3.432 1.00 0.00 O ATOM 0 H GLY A 62 -13.654 4.811 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.810 6.899 5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.514 7.764 4.916 1.00 0.00 H new ATOM 867 N GLU A 63 -13.889 6.081 2.635 1.00 0.00 N ATOM 868 CA GLU A 63 -14.341 5.655 1.338 1.00 0.00 C ATOM 869 C GLU A 63 -14.502 4.150 1.402 1.00 0.00 C ATOM 870 O GLU A 63 -15.452 3.674 2.019 1.00 0.00 O ATOM 871 CB GLU A 63 -13.428 6.175 0.189 1.00 0.00 C ATOM 872 CG GLU A 63 -14.194 6.892 -0.945 1.00 0.00 C ATOM 873 CD GLU A 63 -15.035 5.947 -1.808 1.00 0.00 C ATOM 874 OE1 GLU A 63 -14.886 4.703 -1.685 1.00 0.00 O ATOM 875 OE2 GLU A 63 -15.837 6.476 -2.623 1.00 0.00 O ATOM 0 H GLU A 63 -12.882 5.986 2.764 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.306 6.096 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.691 6.861 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.878 5.334 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.845 7.650 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.479 7.413 -1.582 1.00 0.00 H new ATOM 882 N LYS A 64 -13.596 3.362 0.779 1.00 0.00 N ATOM 883 CA LYS A 64 -13.754 1.957 0.539 1.00 0.00 C ATOM 884 C LYS A 64 -12.532 1.732 -0.285 1.00 0.00 C ATOM 885 O LYS A 64 -11.499 2.343 -0.025 1.00 0.00 O ATOM 886 CB LYS A 64 -15.057 1.536 -0.213 1.00 0.00 C ATOM 887 CG LYS A 64 -15.459 0.054 -0.068 1.00 0.00 C ATOM 888 CD LYS A 64 -15.768 -0.359 1.383 1.00 0.00 C ATOM 889 CE LYS A 64 -16.321 -1.785 1.520 1.00 0.00 C ATOM 890 NZ LYS A 64 -17.644 -1.920 0.867 1.00 0.00 N ATOM 0 H LYS A 64 -12.711 3.726 0.427 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.855 1.368 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.879 2.154 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.932 1.758 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.335 -0.139 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.654 -0.572 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.857 -0.274 1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.489 0.342 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.621 -2.492 1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.407 -2.043 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.072 -2.830 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.263 -1.143 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.527 -1.882 -0.166 1.00 0.00 H new ATOM 904 N CYS A 65 -12.627 0.904 -1.329 1.00 0.00 N ATOM 905 CA CYS A 65 -11.637 0.840 -2.368 1.00 0.00 C ATOM 906 C CYS A 65 -12.396 1.426 -3.502 1.00 0.00 C ATOM 907 O CYS A 65 -13.538 1.026 -3.728 1.00 0.00 O ATOM 908 CB CYS A 65 -11.144 -0.601 -2.669 1.00 0.00 C ATOM 909 SG CYS A 65 -9.908 -0.796 -4.014 1.00 0.00 S ATOM 0 H CYS A 65 -13.406 0.260 -1.463 1.00 0.00 H new ATOM 0 HA CYS A 65 -10.708 1.355 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.716 -1.011 -1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.013 -1.211 -2.916 1.00 0.00 H new ATOM 914 N HIS A 66 -11.816 2.427 -4.194 1.00 0.00 N ATOM 915 CA HIS A 66 -12.524 3.083 -5.254 1.00 0.00 C ATOM 916 C HIS A 66 -11.394 3.566 -6.080 1.00 0.00 C ATOM 917 O HIS A 66 -10.255 3.544 -5.609 1.00 0.00 O ATOM 918 CB HIS A 66 -13.410 4.282 -4.810 1.00 0.00 C ATOM 919 CG HIS A 66 -12.675 5.524 -4.344 1.00 0.00 C ATOM 920 ND1 HIS A 66 -12.767 6.788 -4.821 1.00 0.00 N flip ATOM 921 CD2 HIS A 66 -11.676 5.525 -3.404 1.00 0.00 C flip ATOM 922 CE1 HIS A 66 -11.818 7.536 -4.176 1.00 0.00 C flip ATOM 923 NE2 HIS A 66 -11.169 6.750 -3.328 1.00 0.00 N flip ATOM 0 H HIS A 66 -10.873 2.778 -4.024 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.239 2.418 -5.739 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -14.054 4.559 -5.644 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.061 3.946 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.356 4.673 -2.823 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -11.630 8.588 -4.332 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.405 7.039 -2.717 1.00 0.00 H new ATOM 932 N SER A 67 -11.649 3.995 -7.322 1.00 0.00 N ATOM 933 CA SER A 67 -10.678 4.573 -8.190 1.00 0.00 C ATOM 934 C SER A 67 -11.654 4.942 -9.307 1.00 0.00 C ATOM 935 O SER A 67 -12.838 4.594 -9.160 1.00 0.00 O ATOM 936 CB SER A 67 -9.604 3.582 -8.702 1.00 0.00 C ATOM 937 OG SER A 67 -8.688 3.272 -7.657 1.00 0.00 O ATOM 0 H SER A 67 -12.577 3.937 -7.742 1.00 0.00 H new ATOM 0 HA SER A 67 -10.066 5.359 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.081 2.670 -9.061 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.070 4.016 -9.547 1.00 0.00 H new ATOM 0 HG SER A 67 -9.024 3.632 -6.810 1.00 0.00 H new HETATM 943 N NH2 A 68 -11.178 5.617 -10.382 1.00 0.00 N TER 946 NH2 A 68