USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -4.29! C(o=-4.3!,f=-8.1!) USER MOD Set 2.1: A 5 ASN : amide:sc= -3.34! C(o=-2.9!,f=-3!) USER MOD Set 2.2: A 13 THR OG1 : rot 143:sc= 0.484 USER MOD Set 3.1: A 4 HIS : no HE2:sc= -5.88! C(o=-12!,f=-14!) USER MOD Set 3.2: A 6 GLN : amide:sc= -3.69! C(o=-12!,f=-12!) USER MOD Set 3.3: A 61 ASN : amide:sc= -2.02 K(o=-12,f=-21!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.025 (180deg=0) USER MOD Single : A 7 GLN : amide:sc=-0.00649 X(o=-0.0065,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.182 F(o=-1.3,f=-0.18) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.887 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0.0952 (180deg=-0.136) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= -1.32 (180deg=-1.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.73) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.134 (180deg=-0.642) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.63! USER MOD Single : A 60 ASN : amide:sc= -2.83! C(o=-2.8!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.264 -15.249 2.055 1.00 0.00 N ATOM 2 CA LEU A 1 -5.870 -14.251 1.076 1.00 0.00 C ATOM 3 C LEU A 1 -4.685 -13.450 1.619 1.00 0.00 C ATOM 4 O LEU A 1 -4.677 -13.061 2.786 1.00 0.00 O ATOM 5 CB LEU A 1 -7.068 -13.385 0.680 1.00 0.00 C ATOM 6 CG LEU A 1 -6.755 -12.163 -0.185 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.584 -12.559 -1.653 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.818 -11.077 -0.005 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.302 -15.287 2.114 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.900 -16.180 1.768 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.873 -14.996 2.985 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.536 -14.731 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.782 -14.011 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.562 -13.044 1.590 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.806 -11.743 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.362 -11.672 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.764 -13.271 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.504 -13.017 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.572 -10.219 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.792 -11.470 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.848 -10.767 1.040 1.00 0.00 H new ATOM 22 N GLU A 2 -3.712 -13.227 0.748 1.00 0.00 N ATOM 23 CA GLU A 2 -2.525 -12.479 1.126 1.00 0.00 C ATOM 24 C GLU A 2 -2.508 -11.120 0.423 1.00 0.00 C ATOM 25 O GLU A 2 -2.952 -11.001 -0.718 1.00 0.00 O ATOM 26 CB GLU A 2 -1.255 -13.273 0.815 1.00 0.00 C ATOM 27 CG GLU A 2 -1.342 -14.691 1.383 1.00 0.00 C ATOM 28 CD GLU A 2 0.013 -15.397 1.303 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.329 -15.895 0.201 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.702 -15.424 2.346 1.00 0.00 O ATOM 0 H GLU A 2 -3.721 -13.551 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.553 -12.309 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.105 -13.318 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.390 -12.761 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.675 -14.651 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.087 -15.263 0.830 1.00 0.00 H new ATOM 37 N CYS A 3 -1.991 -10.129 1.134 1.00 0.00 N ATOM 38 CA CYS A 3 -1.910 -8.783 0.594 1.00 0.00 C ATOM 39 C CYS A 3 -0.543 -8.200 0.956 1.00 0.00 C ATOM 40 O CYS A 3 -0.074 -8.363 2.082 1.00 0.00 O ATOM 41 CB CYS A 3 -3.057 -7.902 1.095 1.00 0.00 C ATOM 42 SG CYS A 3 -4.710 -8.685 1.034 1.00 0.00 S ATOM 0 H CYS A 3 -1.624 -10.232 2.080 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.013 -8.818 -0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.848 -7.608 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.081 -6.989 0.501 1.00 0.00 H new ATOM 47 N HIS A 4 0.059 -7.534 -0.018 1.00 0.00 N ATOM 48 CA HIS A 4 1.363 -6.927 0.184 1.00 0.00 C ATOM 49 C HIS A 4 1.266 -5.854 1.270 1.00 0.00 C ATOM 50 O HIS A 4 0.300 -5.094 1.313 1.00 0.00 O ATOM 51 CB HIS A 4 1.922 -6.388 -1.134 1.00 0.00 C ATOM 52 CG HIS A 4 2.619 -7.430 -1.977 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.973 -7.697 -1.871 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.135 -8.267 -2.939 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.279 -8.653 -2.736 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.139 -9.004 -3.398 1.00 0.00 N ATOM 0 H HIS A 4 -0.333 -7.401 -0.950 1.00 0.00 H new ATOM 0 HA HIS A 4 2.070 -7.682 0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.106 -5.954 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.623 -5.582 -0.917 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.624 -7.236 -1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.109 -8.321 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.259 -9.080 -2.890 1.00 0.00 H new ATOM 65 N ASN A 5 2.282 -5.825 2.121 1.00 0.00 N ATOM 66 CA ASN A 5 2.324 -4.857 3.204 1.00 0.00 C ATOM 67 C ASN A 5 3.575 -3.988 3.057 1.00 0.00 C ATOM 68 O ASN A 5 3.907 -3.216 3.955 1.00 0.00 O ATOM 69 CB ASN A 5 2.389 -5.555 4.564 1.00 0.00 C ATOM 70 CG ASN A 5 3.816 -6.005 4.881 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.740 -5.213 4.970 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.945 -7.319 5.045 1.00 0.00 N ATOM 0 H ASN A 5 3.082 -6.456 2.082 1.00 0.00 H new ATOM 0 HA ASN A 5 1.418 -4.253 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.036 -4.878 5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.723 -6.418 4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.859 -7.719 5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.130 -7.926 4.957 1.00 0.00 H new ATOM 79 N GLN A 6 4.234 -4.143 1.919 1.00 0.00 N ATOM 80 CA GLN A 6 5.441 -3.383 1.644 1.00 0.00 C ATOM 81 C GLN A 6 5.108 -1.898 1.483 1.00 0.00 C ATOM 82 O GLN A 6 4.076 -1.548 0.912 1.00 0.00 O ATOM 83 CB GLN A 6 6.158 -3.921 0.404 1.00 0.00 C ATOM 84 CG GLN A 6 5.155 -4.298 -0.689 1.00 0.00 C ATOM 85 CD GLN A 6 5.755 -4.085 -2.080 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.204 -3.007 -2.433 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.736 -5.170 -2.849 1.00 0.00 N ATOM 0 H GLN A 6 3.955 -4.784 1.176 1.00 0.00 H new ATOM 0 HA GLN A 6 6.118 -3.494 2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.849 -3.169 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.753 -4.794 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.859 -5.341 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.252 -3.697 -0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.345 -6.042 -2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.112 -5.130 -3.796 1.00 0.00 H new ATOM 96 N GLN A 7 6.001 -1.065 1.996 1.00 0.00 N ATOM 97 CA GLN A 7 5.814 0.374 1.917 1.00 0.00 C ATOM 98 C GLN A 7 6.771 0.977 0.887 1.00 0.00 C ATOM 99 O GLN A 7 7.802 0.385 0.571 1.00 0.00 O ATOM 100 CB GLN A 7 6.001 1.027 3.288 1.00 0.00 C ATOM 101 CG GLN A 7 7.459 0.938 3.744 1.00 0.00 C ATOM 102 CD GLN A 7 7.557 0.949 5.271 1.00 0.00 C ATOM 103 OE1 GLN A 7 7.191 1.905 5.935 1.00 0.00 O ATOM 104 NE2 GLN A 7 8.072 -0.163 5.788 1.00 0.00 N ATOM 0 H GLN A 7 6.856 -1.359 2.468 1.00 0.00 H new ATOM 0 HA GLN A 7 4.792 0.571 1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.694 2.072 3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.357 0.537 4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.911 0.026 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.024 1.775 3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.358 -0.926 5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.181 -0.253 6.798 1.00 0.00 H new ATOM 113 N SER A 8 6.396 2.148 0.392 1.00 0.00 N ATOM 114 CA SER A 8 7.209 2.838 -0.595 1.00 0.00 C ATOM 115 C SER A 8 7.873 1.823 -1.528 1.00 0.00 C ATOM 116 O SER A 8 7.219 0.905 -2.019 1.00 0.00 O ATOM 117 CB SER A 8 8.267 3.714 0.077 1.00 0.00 C ATOM 118 OG SER A 8 7.721 4.493 1.137 1.00 0.00 O ATOM 0 H SER A 8 5.540 2.636 0.656 1.00 0.00 H new ATOM 0 HA SER A 8 6.558 3.488 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.066 3.083 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.715 4.375 -0.665 1.00 0.00 H new ATOM 0 HG SER A 8 8.429 5.037 1.541 1.00 0.00 H new ATOM 124 N SER A 9 9.165 2.022 -1.742 1.00 0.00 N ATOM 125 CA SER A 9 9.926 1.135 -2.607 1.00 0.00 C ATOM 126 C SER A 9 10.542 0.003 -1.783 1.00 0.00 C ATOM 127 O SER A 9 11.215 -0.871 -2.328 1.00 0.00 O ATOM 128 CB SER A 9 11.018 1.901 -3.357 1.00 0.00 C ATOM 129 OG SER A 9 10.496 2.617 -4.473 1.00 0.00 O ATOM 0 H SER A 9 9.705 2.784 -1.332 1.00 0.00 H new ATOM 0 HA SER A 9 9.246 0.710 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.506 2.598 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.781 1.202 -3.699 1.00 0.00 H new ATOM 0 HG SER A 9 11.223 3.094 -4.925 1.00 0.00 H new ATOM 135 N GLN A 10 10.291 0.055 -0.483 1.00 0.00 N ATOM 136 CA GLN A 10 10.813 -0.955 0.421 1.00 0.00 C ATOM 137 C GLN A 10 10.623 -2.351 -0.176 1.00 0.00 C ATOM 138 O GLN A 10 9.915 -2.514 -1.169 1.00 0.00 O ATOM 139 CB GLN A 10 10.152 -0.853 1.798 1.00 0.00 C ATOM 140 CG GLN A 10 10.154 0.592 2.301 1.00 0.00 C ATOM 141 CD GLN A 10 11.531 1.233 2.121 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.608 2.068 1.088 1.00 0.00 O flip ATOM 143 NE2 GLN A 10 12.462 0.987 2.869 1.00 0.00 N flip ATOM 0 H GLN A 10 9.733 0.781 -0.034 1.00 0.00 H new ATOM 0 HA GLN A 10 11.881 -0.780 0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.128 -1.221 1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.681 -1.490 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.406 1.171 1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.873 0.615 3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.335 0.336 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.367 1.433 2.720 1.00 0.00 H new ATOM 152 N PRO A 11 11.268 -3.322 0.454 1.00 0.00 N ATOM 153 CA PRO A 11 11.230 -4.731 0.059 1.00 0.00 C ATOM 154 C PRO A 11 9.787 -5.239 0.079 1.00 0.00 C ATOM 155 O PRO A 11 9.078 -5.060 1.068 1.00 0.00 O ATOM 156 CB PRO A 11 12.045 -5.435 1.146 1.00 0.00 C ATOM 157 CG PRO A 11 12.952 -4.358 1.666 1.00 0.00 C ATOM 158 CD PRO A 11 12.108 -3.116 1.637 1.00 0.00 C ATOM 0 HA PRO A 11 11.619 -4.903 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.404 -5.833 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.611 -6.274 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.297 -4.581 2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.840 -4.250 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.512 -3.011 2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.716 -2.216 1.550 1.00 0.00 H new ATOM 166 N PRO A 12 9.395 -5.861 -1.023 1.00 0.00 N ATOM 167 CA PRO A 12 8.059 -6.426 -1.222 1.00 0.00 C ATOM 168 C PRO A 12 7.771 -7.473 -0.143 1.00 0.00 C ATOM 169 O PRO A 12 8.542 -8.415 0.033 1.00 0.00 O ATOM 170 CB PRO A 12 8.152 -7.102 -2.591 1.00 0.00 C ATOM 171 CG PRO A 12 9.255 -6.357 -3.284 1.00 0.00 C ATOM 172 CD PRO A 12 10.249 -6.069 -2.195 1.00 0.00 C ATOM 0 HA PRO A 12 7.267 -5.679 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.383 -8.163 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.213 -7.027 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.699 -6.954 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.888 -5.438 -3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.941 -6.898 -2.049 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.850 -5.188 -2.419 1.00 0.00 H new ATOM 180 N THR A 13 6.660 -7.273 0.551 1.00 0.00 N ATOM 181 CA THR A 13 6.263 -8.188 1.607 1.00 0.00 C ATOM 182 C THR A 13 4.786 -8.560 1.462 1.00 0.00 C ATOM 183 O THR A 13 4.088 -8.023 0.603 1.00 0.00 O ATOM 184 CB THR A 13 6.596 -7.534 2.949 1.00 0.00 C ATOM 185 OG1 THR A 13 6.286 -6.157 2.751 1.00 0.00 O ATOM 186 CG2 THR A 13 8.096 -7.539 3.247 1.00 0.00 C ATOM 0 H THR A 13 6.023 -6.491 0.402 1.00 0.00 H new ATOM 0 HA THR A 13 6.811 -9.128 1.543 1.00 0.00 H new ATOM 0 HB THR A 13 6.066 -8.054 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.897 -5.788 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.277 -7.063 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.458 -8.567 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.624 -6.991 2.467 1.00 0.00 H new ATOM 194 N THR A 14 4.353 -9.476 2.316 1.00 0.00 N ATOM 195 CA THR A 14 2.971 -9.926 2.294 1.00 0.00 C ATOM 196 C THR A 14 2.490 -10.241 3.712 1.00 0.00 C ATOM 197 O THR A 14 3.298 -10.522 4.596 1.00 0.00 O ATOM 198 CB THR A 14 2.878 -11.119 1.341 1.00 0.00 C ATOM 199 OG1 THR A 14 4.082 -11.844 1.574 1.00 0.00 O ATOM 200 CG2 THR A 14 2.971 -10.703 -0.129 1.00 0.00 C ATOM 0 H THR A 14 4.935 -9.919 3.027 1.00 0.00 H new ATOM 0 HA THR A 14 2.306 -9.145 1.926 1.00 0.00 H new ATOM 0 HB THR A 14 1.939 -11.646 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.104 -12.636 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.900 -11.587 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.155 -10.020 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.924 -10.205 -0.307 1.00 0.00 H new ATOM 208 N LYS A 15 1.178 -10.185 3.883 1.00 0.00 N ATOM 209 CA LYS A 15 0.580 -10.461 5.178 1.00 0.00 C ATOM 210 C LYS A 15 -0.787 -11.117 4.975 1.00 0.00 C ATOM 211 O LYS A 15 -1.470 -10.844 3.989 1.00 0.00 O ATOM 212 CB LYS A 15 0.532 -9.190 6.029 1.00 0.00 C ATOM 213 CG LYS A 15 1.798 -9.049 6.876 1.00 0.00 C ATOM 214 CD LYS A 15 1.756 -9.986 8.085 1.00 0.00 C ATOM 215 CE LYS A 15 0.974 -9.356 9.240 1.00 0.00 C ATOM 216 NZ LYS A 15 0.921 -10.280 10.395 1.00 0.00 N ATOM 0 H LYS A 15 0.512 -9.953 3.146 1.00 0.00 H new ATOM 0 HA LYS A 15 1.193 -11.168 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.424 -8.319 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.343 -9.216 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.674 -9.274 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.901 -8.018 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.294 -10.931 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.772 -10.213 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.445 -8.419 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.037 -9.115 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.387 -9.837 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.451 -11.163 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.888 -10.490 10.717 1.00 0.00 H new ATOM 230 N THR A 16 -1.146 -11.970 5.923 1.00 0.00 N ATOM 231 CA THR A 16 -2.419 -12.667 5.860 1.00 0.00 C ATOM 232 C THR A 16 -3.558 -11.737 6.286 1.00 0.00 C ATOM 233 O THR A 16 -3.495 -11.119 7.348 1.00 0.00 O ATOM 234 CB THR A 16 -2.311 -13.928 6.719 1.00 0.00 C ATOM 235 OG1 THR A 16 -1.011 -14.435 6.429 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.256 -15.037 6.253 1.00 0.00 C ATOM 0 H THR A 16 -0.577 -12.194 6.739 1.00 0.00 H new ATOM 0 HA THR A 16 -2.653 -12.971 4.840 1.00 0.00 H new ATOM 0 HB THR A 16 -2.528 -13.679 7.758 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.856 -15.253 6.946 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.139 -15.909 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.286 -14.683 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.018 -15.310 5.225 1.00 0.00 H new ATOM 244 N CYS A 17 -4.571 -11.667 5.436 1.00 0.00 N ATOM 245 CA CYS A 17 -5.722 -10.824 5.711 1.00 0.00 C ATOM 246 C CYS A 17 -6.652 -11.576 6.665 1.00 0.00 C ATOM 247 O CYS A 17 -7.105 -12.677 6.356 1.00 0.00 O ATOM 248 CB CYS A 17 -6.439 -10.408 4.425 1.00 0.00 C ATOM 249 SG CYS A 17 -5.331 -9.995 3.028 1.00 0.00 S ATOM 0 H CYS A 17 -4.619 -12.180 4.556 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.393 -9.898 6.181 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.102 -11.217 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.068 -9.544 4.639 1.00 0.00 H new ATOM 254 N SER A 18 -6.910 -10.952 7.805 1.00 0.00 N ATOM 255 CA SER A 18 -7.778 -11.548 8.805 1.00 0.00 C ATOM 256 C SER A 18 -9.158 -10.891 8.760 1.00 0.00 C ATOM 257 O SER A 18 -9.290 -9.697 9.024 1.00 0.00 O ATOM 258 CB SER A 18 -7.174 -11.419 10.205 1.00 0.00 C ATOM 259 OG SER A 18 -7.814 -12.279 11.144 1.00 0.00 O ATOM 0 H SER A 18 -6.532 -10.039 8.058 1.00 0.00 H new ATOM 0 HA SER A 18 -7.881 -12.609 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.111 -11.654 10.164 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.259 -10.386 10.543 1.00 0.00 H new ATOM 0 HG SER A 18 -7.399 -12.168 12.025 1.00 0.00 H new ATOM 265 N GLY A 19 -10.152 -11.699 8.422 1.00 0.00 N ATOM 266 CA GLY A 19 -11.518 -11.211 8.339 1.00 0.00 C ATOM 267 C GLY A 19 -11.745 -10.437 7.038 1.00 0.00 C ATOM 268 O GLY A 19 -12.881 -10.115 6.694 1.00 0.00 O ATOM 0 H GLY A 19 -10.039 -12.689 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.212 -12.050 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.730 -10.566 9.192 1.00 0.00 H new ATOM 272 N GLU A 20 -10.646 -10.161 6.352 1.00 0.00 N ATOM 273 CA GLU A 20 -10.711 -9.431 5.098 1.00 0.00 C ATOM 274 C GLU A 20 -10.530 -10.387 3.917 1.00 0.00 C ATOM 275 O GLU A 20 -10.004 -11.487 4.080 1.00 0.00 O ATOM 276 CB GLU A 20 -9.669 -8.311 5.060 1.00 0.00 C ATOM 277 CG GLU A 20 -9.546 -7.631 6.426 1.00 0.00 C ATOM 278 CD GLU A 20 -8.901 -6.250 6.294 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.661 -6.216 6.135 1.00 0.00 O ATOM 280 OE2 GLU A 20 -9.661 -5.260 6.357 1.00 0.00 O ATOM 0 H GLU A 20 -9.705 -10.430 6.641 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.696 -8.970 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.702 -8.718 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.949 -7.574 4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.533 -7.534 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.949 -8.253 7.094 1.00 0.00 H new ATOM 287 N THR A 21 -10.975 -9.933 2.755 1.00 0.00 N ATOM 288 CA THR A 21 -10.869 -10.734 1.548 1.00 0.00 C ATOM 289 C THR A 21 -10.461 -9.859 0.361 1.00 0.00 C ATOM 290 O THR A 21 -10.597 -10.268 -0.792 1.00 0.00 O ATOM 291 CB THR A 21 -12.202 -11.456 1.340 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.183 -10.462 1.623 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.453 -12.537 2.394 1.00 0.00 C ATOM 0 H THR A 21 -11.410 -9.020 2.624 1.00 0.00 H new ATOM 0 HA THR A 21 -10.086 -11.487 1.641 1.00 0.00 H new ATOM 0 HB THR A 21 -12.220 -11.905 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.078 -10.845 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.412 -13.018 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.658 -13.281 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.469 -12.083 3.385 1.00 0.00 H new ATOM 301 N ASN A 22 -9.969 -8.672 0.683 1.00 0.00 N ATOM 302 CA ASN A 22 -9.540 -7.736 -0.342 1.00 0.00 C ATOM 303 C ASN A 22 -8.194 -7.130 0.058 1.00 0.00 C ATOM 304 O ASN A 22 -7.859 -7.079 1.241 1.00 0.00 O ATOM 305 CB ASN A 22 -10.545 -6.593 -0.499 1.00 0.00 C ATOM 306 CG ASN A 22 -11.925 -7.126 -0.891 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.288 -7.184 -2.054 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.670 -7.509 0.141 1.00 0.00 N ATOM 0 H ASN A 22 -9.858 -8.337 1.640 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.462 -8.280 -1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.618 -6.037 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.192 -5.895 -1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.608 -7.879 -0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.304 -7.433 1.090 1.00 0.00 H new ATOM 315 N CYS A 23 -7.458 -6.686 -0.950 1.00 0.00 N ATOM 316 CA CYS A 23 -6.155 -6.086 -0.719 1.00 0.00 C ATOM 317 C CYS A 23 -6.208 -4.629 -1.183 1.00 0.00 C ATOM 318 O CYS A 23 -6.748 -4.332 -2.248 1.00 0.00 O ATOM 319 CB CYS A 23 -5.040 -6.867 -1.417 1.00 0.00 C ATOM 320 SG CYS A 23 -5.012 -8.659 -1.049 1.00 0.00 S ATOM 0 H CYS A 23 -7.739 -6.730 -1.929 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.920 -6.119 0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.141 -6.733 -2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.080 -6.437 -1.131 1.00 0.00 H new ATOM 325 N TYR A 24 -5.641 -3.758 -0.361 1.00 0.00 N ATOM 326 CA TYR A 24 -5.617 -2.340 -0.674 1.00 0.00 C ATOM 327 C TYR A 24 -4.183 -1.848 -0.881 1.00 0.00 C ATOM 328 O TYR A 24 -3.241 -2.425 -0.339 1.00 0.00 O ATOM 329 CB TYR A 24 -6.216 -1.630 0.542 1.00 0.00 C ATOM 330 CG TYR A 24 -5.268 -1.537 1.739 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.328 -0.528 1.798 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.352 -2.462 2.759 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.435 -0.441 2.924 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.459 -2.375 3.886 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.545 -1.369 3.913 1.00 0.00 C ATOM 336 OH TYR A 24 -2.702 -1.286 4.977 1.00 0.00 O ATOM 0 H TYR A 24 -5.195 -4.008 0.522 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.172 -2.140 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.516 -0.623 0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.120 -2.156 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.262 0.196 1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.087 -3.252 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.695 0.343 2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.514 -3.093 4.691 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.039 -1.848 5.706 1.00 0.00 H new ATOM 346 N LYS A 25 -4.063 -0.787 -1.665 1.00 0.00 N ATOM 347 CA LYS A 25 -2.759 -0.211 -1.950 1.00 0.00 C ATOM 348 C LYS A 25 -2.875 1.314 -1.973 1.00 0.00 C ATOM 349 O LYS A 25 -3.603 1.873 -2.791 1.00 0.00 O ATOM 350 CB LYS A 25 -2.182 -0.803 -3.238 1.00 0.00 C ATOM 351 CG LYS A 25 -0.930 -0.042 -3.678 1.00 0.00 C ATOM 352 CD LYS A 25 -0.566 -0.377 -5.126 1.00 0.00 C ATOM 353 CE LYS A 25 0.626 0.458 -5.598 1.00 0.00 C ATOM 354 NZ LYS A 25 0.172 1.774 -6.099 1.00 0.00 N ATOM 0 H LYS A 25 -4.847 -0.311 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.049 -0.466 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.937 -1.854 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.932 -0.764 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.099 1.030 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.097 -0.295 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.328 -1.437 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.424 -0.192 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.328 0.598 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.160 -0.073 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.998 2.371 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.384 1.642 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.418 2.235 -5.378 1.00 0.00 H new ATOM 368 N LYS A 26 -2.144 1.944 -1.065 1.00 0.00 N ATOM 369 CA LYS A 26 -2.155 3.394 -0.970 1.00 0.00 C ATOM 370 C LYS A 26 -0.807 3.942 -1.443 1.00 0.00 C ATOM 371 O LYS A 26 0.237 3.352 -1.170 1.00 0.00 O ATOM 372 CB LYS A 26 -2.537 3.836 0.444 1.00 0.00 C ATOM 373 CG LYS A 26 -4.045 4.069 0.558 1.00 0.00 C ATOM 374 CD LYS A 26 -4.769 2.783 0.963 1.00 0.00 C ATOM 375 CE LYS A 26 -4.451 2.407 2.411 1.00 0.00 C ATOM 376 NZ LYS A 26 -4.778 3.528 3.322 1.00 0.00 N ATOM 0 H LYS A 26 -1.540 1.477 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.918 3.813 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.228 3.077 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.004 4.752 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.242 4.849 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.435 4.425 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.845 2.915 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.473 1.971 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.019 1.521 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.395 2.152 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.636 3.227 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.158 4.336 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.770 3.809 3.185 1.00 0.00 H new ATOM 390 N TRP A 27 -0.874 5.064 -2.144 1.00 0.00 N ATOM 391 CA TRP A 27 0.329 5.699 -2.657 1.00 0.00 C ATOM 392 C TRP A 27 0.003 7.165 -2.945 1.00 0.00 C ATOM 393 O TRP A 27 -1.095 7.484 -3.400 1.00 0.00 O ATOM 394 CB TRP A 27 0.862 4.953 -3.882 1.00 0.00 C ATOM 395 CG TRP A 27 0.023 5.153 -5.146 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.207 6.050 -6.124 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.146 4.400 -5.531 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.754 5.930 -7.108 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.603 4.895 -6.735 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.796 3.335 -4.883 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.728 4.387 -7.396 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.919 2.838 -5.556 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.392 3.326 -6.769 1.00 0.00 C ATOM 0 H TRP A 27 -1.742 5.550 -2.369 1.00 0.00 H new ATOM 0 HA TRP A 27 1.131 5.659 -1.920 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.882 5.282 -4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.909 3.888 -3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.007 6.776 -6.141 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.827 6.497 -7.953 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.456 2.932 -3.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.065 4.792 -8.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.455 2.018 -5.101 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.268 2.889 -7.225 1.00 0.00 H new ATOM 414 N TRP A 28 0.978 8.020 -2.669 1.00 0.00 N ATOM 415 CA TRP A 28 0.809 9.446 -2.893 1.00 0.00 C ATOM 416 C TRP A 28 2.198 10.069 -3.043 1.00 0.00 C ATOM 417 O TRP A 28 3.206 9.420 -2.767 1.00 0.00 O ATOM 418 CB TRP A 28 -0.015 10.083 -1.772 1.00 0.00 C ATOM 419 CG TRP A 28 0.645 10.004 -0.394 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.369 10.944 0.230 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.611 8.882 0.513 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.802 10.511 1.466 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.327 9.217 1.644 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.003 7.624 0.381 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.496 8.350 2.730 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.175 6.769 1.475 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.892 7.092 2.621 1.00 0.00 C ATOM 0 H TRP A 28 1.887 7.752 -2.292 1.00 0.00 H new ATOM 0 HA TRP A 28 0.245 9.629 -3.808 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.196 11.129 -2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.988 9.593 -1.726 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.586 11.918 -0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.367 11.043 2.128 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.567 7.340 -0.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.062 8.636 3.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.277 5.789 1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.983 6.375 3.424 1.00 0.00 H new ATOM 438 N SER A 29 2.206 11.319 -3.480 1.00 0.00 N ATOM 439 CA SER A 29 3.455 12.037 -3.670 1.00 0.00 C ATOM 440 C SER A 29 3.648 13.058 -2.548 1.00 0.00 C ATOM 441 O SER A 29 2.675 13.583 -2.008 1.00 0.00 O ATOM 442 CB SER A 29 3.489 12.733 -5.032 1.00 0.00 C ATOM 443 OG SER A 29 4.822 12.955 -5.486 1.00 0.00 O ATOM 0 H SER A 29 1.368 11.853 -3.708 1.00 0.00 H new ATOM 0 HA SER A 29 4.271 11.315 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.954 12.126 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.965 13.687 -4.965 1.00 0.00 H new ATOM 0 HG SER A 29 4.800 13.400 -6.359 1.00 0.00 H new ATOM 449 N ASP A 30 4.909 13.310 -2.230 1.00 0.00 N ATOM 450 CA ASP A 30 5.242 14.259 -1.181 1.00 0.00 C ATOM 451 C ASP A 30 6.535 14.988 -1.551 1.00 0.00 C ATOM 452 O ASP A 30 7.254 14.565 -2.454 1.00 0.00 O ATOM 453 CB ASP A 30 5.466 13.547 0.155 1.00 0.00 C ATOM 454 CG ASP A 30 5.312 14.433 1.393 1.00 0.00 C ATOM 455 OD1 ASP A 30 6.263 15.197 1.666 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.247 14.327 2.038 1.00 0.00 O ATOM 0 H ASP A 30 5.713 12.873 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 30 4.412 14.958 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.762 12.718 0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.467 13.117 0.157 1.00 0.00 H new ATOM 461 N HIS A 31 6.791 16.072 -0.833 1.00 0.00 N ATOM 462 CA HIS A 31 7.985 16.865 -1.074 1.00 0.00 C ATOM 463 C HIS A 31 9.223 16.063 -0.671 1.00 0.00 C ATOM 464 O HIS A 31 10.350 16.472 -0.947 1.00 0.00 O ATOM 465 CB HIS A 31 7.894 18.215 -0.360 1.00 0.00 C ATOM 466 CG HIS A 31 8.060 18.129 1.139 1.00 0.00 C ATOM 467 ND1 HIS A 31 6.989 17.988 2.004 1.00 0.00 N ATOM 468 CD2 HIS A 31 9.181 18.165 1.915 1.00 0.00 C ATOM 469 CE1 HIS A 31 7.457 17.943 3.243 1.00 0.00 C ATOM 470 NE2 HIS A 31 8.815 18.053 3.186 1.00 0.00 N ATOM 0 H HIS A 31 6.192 16.420 -0.084 1.00 0.00 H new ATOM 0 HA HIS A 31 8.070 17.088 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.658 18.880 -0.762 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.928 18.668 -0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.195 18.267 1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.866 17.838 4.141 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.446 18.050 3.988 1.00 0.00 H new ATOM 479 N ARG A 32 8.973 14.934 -0.024 1.00 0.00 N ATOM 480 CA ARG A 32 10.054 14.070 0.420 1.00 0.00 C ATOM 481 C ARG A 32 10.195 12.870 -0.519 1.00 0.00 C ATOM 482 O ARG A 32 11.284 12.318 -0.667 1.00 0.00 O ATOM 483 CB ARG A 32 9.809 13.569 1.845 1.00 0.00 C ATOM 484 CG ARG A 32 10.158 14.647 2.873 1.00 0.00 C ATOM 485 CD ARG A 32 11.674 14.783 3.032 1.00 0.00 C ATOM 486 NE ARG A 32 11.988 15.517 4.277 1.00 0.00 N ATOM 487 CZ ARG A 32 13.215 15.602 4.810 1.00 0.00 C ATOM 488 NH1 ARG A 32 14.250 15.000 4.208 1.00 0.00 N ATOM 489 NH2 ARG A 32 13.407 16.290 5.944 1.00 0.00 N ATOM 0 H ARG A 32 8.037 14.597 0.203 1.00 0.00 H new ATOM 0 HA ARG A 32 10.973 14.656 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.764 13.279 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.409 12.678 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.734 15.602 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.709 14.397 3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.135 13.796 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.092 15.310 2.174 1.00 0.00 H new ATOM 0 HE ARG A 32 11.223 15.988 4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.104 14.477 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.184 15.065 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.619 16.749 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.341 16.355 6.349 1.00 0.00 H new ATOM 503 N GLY A 33 9.077 12.502 -1.128 1.00 0.00 N ATOM 504 CA GLY A 33 9.062 11.377 -2.048 1.00 0.00 C ATOM 505 C GLY A 33 7.664 10.762 -2.138 1.00 0.00 C ATOM 506 O GLY A 33 6.714 11.281 -1.554 1.00 0.00 O ATOM 0 H GLY A 33 8.176 12.963 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.383 11.706 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.775 10.622 -1.717 1.00 0.00 H new ATOM 510 N THR A 34 7.583 9.663 -2.874 1.00 0.00 N ATOM 511 CA THR A 34 6.318 8.971 -3.048 1.00 0.00 C ATOM 512 C THR A 34 6.127 7.922 -1.950 1.00 0.00 C ATOM 513 O THR A 34 6.864 6.939 -1.891 1.00 0.00 O ATOM 514 CB THR A 34 6.290 8.383 -4.460 1.00 0.00 C ATOM 515 OG1 THR A 34 6.033 9.506 -5.299 1.00 0.00 O ATOM 516 CG2 THR A 34 5.089 7.464 -4.689 1.00 0.00 C ATOM 0 H THR A 34 8.373 9.235 -3.357 1.00 0.00 H new ATOM 0 HA THR A 34 5.477 9.657 -2.949 1.00 0.00 H new ATOM 0 HB THR A 34 7.211 7.828 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.000 9.215 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.118 7.074 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.125 6.635 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.167 8.027 -4.542 1.00 0.00 H new ATOM 524 N ILE A 35 5.135 8.168 -1.107 1.00 0.00 N ATOM 525 CA ILE A 35 4.839 7.258 -0.014 1.00 0.00 C ATOM 526 C ILE A 35 3.831 6.209 -0.489 1.00 0.00 C ATOM 527 O ILE A 35 2.832 6.544 -1.123 1.00 0.00 O ATOM 528 CB ILE A 35 4.381 8.035 1.222 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.442 9.048 1.657 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.997 7.084 2.357 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.097 9.654 3.018 1.00 0.00 C ATOM 0 H ILE A 35 4.526 8.985 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 35 5.739 6.723 0.290 1.00 0.00 H new ATOM 0 HB ILE A 35 3.486 8.599 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.416 8.561 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.521 9.840 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.675 7.662 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.183 6.437 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.859 6.474 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.867 10.370 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.134 10.162 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.043 8.863 3.766 1.00 0.00 H new ATOM 543 N ILE A 36 4.129 4.959 -0.163 1.00 0.00 N ATOM 544 CA ILE A 36 3.261 3.859 -0.548 1.00 0.00 C ATOM 545 C ILE A 36 2.971 2.991 0.678 1.00 0.00 C ATOM 546 O ILE A 36 3.893 2.497 1.325 1.00 0.00 O ATOM 547 CB ILE A 36 3.867 3.085 -1.721 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.493 4.037 -2.742 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.830 2.159 -2.360 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.140 3.261 -3.890 1.00 0.00 C ATOM 0 H ILE A 36 4.959 4.684 0.363 1.00 0.00 H new ATOM 0 HA ILE A 36 2.303 4.236 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 36 4.669 2.454 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.729 4.707 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.241 4.660 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.286 1.621 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.473 1.445 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.991 2.750 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.577 3.961 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.920 2.610 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.384 2.658 -4.393 1.00 0.00 H new ATOM 562 N GLU A 37 1.687 2.831 0.960 1.00 0.00 N ATOM 563 CA GLU A 37 1.264 2.031 2.097 1.00 0.00 C ATOM 564 C GLU A 37 0.228 0.993 1.659 1.00 0.00 C ATOM 565 O GLU A 37 -0.875 1.348 1.246 1.00 0.00 O ATOM 566 CB GLU A 37 0.713 2.917 3.216 1.00 0.00 C ATOM 567 CG GLU A 37 0.808 2.211 4.570 1.00 0.00 C ATOM 568 CD GLU A 37 2.244 1.769 4.859 1.00 0.00 C ATOM 569 OE1 GLU A 37 3.105 2.669 4.964 1.00 0.00 O ATOM 570 OE2 GLU A 37 2.449 0.541 4.968 1.00 0.00 O ATOM 0 H GLU A 37 0.925 3.242 0.421 1.00 0.00 H new ATOM 0 HA GLU A 37 2.134 1.505 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.269 3.854 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.326 3.171 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.464 2.881 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.148 1.344 4.579 1.00 0.00 H new ATOM 577 N ARG A 38 0.620 -0.268 1.765 1.00 0.00 N ATOM 578 CA ARG A 38 -0.260 -1.360 1.385 1.00 0.00 C ATOM 579 C ARG A 38 -0.553 -2.250 2.595 1.00 0.00 C ATOM 580 O ARG A 38 0.183 -2.227 3.580 1.00 0.00 O ATOM 581 CB ARG A 38 0.361 -2.208 0.274 1.00 0.00 C ATOM 582 CG ARG A 38 0.879 -1.327 -0.864 1.00 0.00 C ATOM 583 CD ARG A 38 1.096 -2.147 -2.137 1.00 0.00 C ATOM 584 NE ARG A 38 2.043 -1.448 -3.034 1.00 0.00 N ATOM 585 CZ ARG A 38 3.330 -1.220 -2.737 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.830 -1.635 -1.565 1.00 0.00 N ATOM 587 NH2 ARG A 38 4.116 -0.578 -3.612 1.00 0.00 N ATOM 0 H ARG A 38 1.536 -0.558 2.109 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.189 -0.925 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.180 -2.802 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.380 -2.908 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.167 -0.525 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.816 -0.856 -0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.484 -3.133 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.145 -2.301 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 38 1.695 -1.119 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.231 -2.124 -0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.809 -1.462 -1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.735 -0.263 -4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.095 -0.404 -3.386 1.00 0.00 H new ATOM 601 N GLY A 39 -1.629 -3.015 2.479 1.00 0.00 N ATOM 602 CA GLY A 39 -2.028 -3.912 3.551 1.00 0.00 C ATOM 603 C GLY A 39 -3.261 -4.726 3.154 1.00 0.00 C ATOM 604 O GLY A 39 -3.718 -4.652 2.014 1.00 0.00 O ATOM 0 H GLY A 39 -2.236 -3.032 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.205 -4.585 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.242 -3.336 4.451 1.00 0.00 H new ATOM 608 N CYS A 40 -3.765 -5.484 4.117 1.00 0.00 N ATOM 609 CA CYS A 40 -4.937 -6.310 3.882 1.00 0.00 C ATOM 610 C CYS A 40 -6.183 -5.461 4.140 1.00 0.00 C ATOM 611 O CYS A 40 -6.148 -4.526 4.937 1.00 0.00 O ATOM 612 CB CYS A 40 -4.919 -7.574 4.745 1.00 0.00 C ATOM 613 SG CYS A 40 -3.867 -8.927 4.103 1.00 0.00 S ATOM 0 H CYS A 40 -3.383 -5.543 5.061 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.941 -6.654 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.576 -7.309 5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.940 -7.943 4.846 1.00 0.00 H new ATOM 618 N GLY A 41 -7.256 -5.818 3.449 1.00 0.00 N ATOM 619 CA GLY A 41 -8.511 -5.100 3.592 1.00 0.00 C ATOM 620 C GLY A 41 -8.665 -4.041 2.499 1.00 0.00 C ATOM 621 O GLY A 41 -7.918 -4.038 1.522 1.00 0.00 O ATOM 0 H GLY A 41 -7.282 -6.595 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.343 -5.802 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.552 -4.625 4.572 1.00 0.00 H new ATOM 625 N CYS A 42 -9.640 -3.166 2.701 1.00 0.00 N ATOM 626 CA CYS A 42 -9.901 -2.104 1.744 1.00 0.00 C ATOM 627 C CYS A 42 -10.388 -0.874 2.514 1.00 0.00 C ATOM 628 O CYS A 42 -11.575 -0.553 2.492 1.00 0.00 O ATOM 629 CB CYS A 42 -10.904 -2.540 0.674 1.00 0.00 C ATOM 630 SG CYS A 42 -11.397 -1.224 -0.498 1.00 0.00 S ATOM 0 H CYS A 42 -10.258 -3.171 3.512 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.983 -1.859 1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.475 -3.368 0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.798 -2.921 1.168 1.00 0.00 H new ATOM 635 N PRO A 43 -9.445 -0.219 3.176 1.00 0.00 N ATOM 636 CA PRO A 43 -9.686 0.983 3.977 1.00 0.00 C ATOM 637 C PRO A 43 -10.028 2.174 3.081 1.00 0.00 C ATOM 638 O PRO A 43 -10.040 2.051 1.857 1.00 0.00 O ATOM 639 CB PRO A 43 -8.352 1.205 4.692 1.00 0.00 C ATOM 640 CG PRO A 43 -7.344 0.594 3.763 1.00 0.00 C ATOM 641 CD PRO A 43 -8.035 -0.613 3.193 1.00 0.00 C ATOM 0 HA PRO A 43 -10.525 0.876 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.156 2.265 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.337 0.725 5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.054 1.292 2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.434 0.316 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.672 -0.849 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.872 -1.498 3.809 1.00 0.00 H new ATOM 649 N LYS A 44 -10.298 3.301 3.724 1.00 0.00 N ATOM 650 CA LYS A 44 -10.639 4.513 2.999 1.00 0.00 C ATOM 651 C LYS A 44 -9.512 5.535 3.163 1.00 0.00 C ATOM 652 O LYS A 44 -8.915 5.640 4.233 1.00 0.00 O ATOM 653 CB LYS A 44 -12.009 5.033 3.440 1.00 0.00 C ATOM 654 CG LYS A 44 -13.104 4.002 3.156 1.00 0.00 C ATOM 655 CD LYS A 44 -13.237 3.011 4.314 1.00 0.00 C ATOM 656 CE LYS A 44 -14.637 2.396 4.350 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.701 1.200 3.480 1.00 0.00 N ATOM 0 H LYS A 44 -10.287 3.400 4.739 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.730 4.306 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.989 5.263 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.235 5.962 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.055 4.511 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.872 3.464 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.492 2.222 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.034 3.519 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.894 2.123 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.372 3.131 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.658 0.795 3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.476 1.470 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.013 0.493 3.810 1.00 0.00 H new ATOM 671 N VAL A 45 -9.254 6.262 2.086 1.00 0.00 N ATOM 672 CA VAL A 45 -8.210 7.272 2.097 1.00 0.00 C ATOM 673 C VAL A 45 -8.830 8.645 1.833 1.00 0.00 C ATOM 674 O VAL A 45 -9.963 8.738 1.363 1.00 0.00 O ATOM 675 CB VAL A 45 -7.118 6.905 1.090 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.594 5.489 1.339 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.623 7.058 -0.347 1.00 0.00 C ATOM 0 H VAL A 45 -9.750 6.171 1.200 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.731 7.316 3.075 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.288 7.598 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.819 5.254 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.177 5.427 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.412 4.776 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.827 6.791 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.478 6.401 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.924 8.092 -0.519 1.00 0.00 H new ATOM 687 N LYS A 46 -8.061 9.677 2.146 1.00 0.00 N ATOM 688 CA LYS A 46 -8.521 11.041 1.949 1.00 0.00 C ATOM 689 C LYS A 46 -8.194 11.483 0.521 1.00 0.00 C ATOM 690 O LYS A 46 -7.477 10.789 -0.199 1.00 0.00 O ATOM 691 CB LYS A 46 -7.944 11.962 3.025 1.00 0.00 C ATOM 692 CG LYS A 46 -7.910 11.262 4.385 1.00 0.00 C ATOM 693 CD LYS A 46 -7.527 12.242 5.496 1.00 0.00 C ATOM 694 CE LYS A 46 -6.978 11.500 6.716 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.697 10.836 6.386 1.00 0.00 N ATOM 0 H LYS A 46 -7.122 9.596 2.535 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.604 11.098 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.936 12.268 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.545 12.869 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.886 10.827 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.195 10.440 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.779 12.943 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.399 12.829 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.830 12.200 7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.702 10.759 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.123 10.740 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.887 9.893 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.180 11.407 5.688 1.00 0.00 H new ATOM 709 N PRO A 47 -8.736 12.635 0.153 1.00 0.00 N ATOM 710 CA PRO A 47 -8.559 13.248 -1.164 1.00 0.00 C ATOM 711 C PRO A 47 -7.072 13.496 -1.426 1.00 0.00 C ATOM 712 O PRO A 47 -6.359 13.990 -0.554 1.00 0.00 O ATOM 713 CB PRO A 47 -9.295 14.584 -1.044 1.00 0.00 C ATOM 714 CG PRO A 47 -10.304 14.340 0.040 1.00 0.00 C ATOM 715 CD PRO A 47 -9.589 13.453 1.019 1.00 0.00 C ATOM 0 HA PRO A 47 -8.932 12.626 -1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.614 15.394 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.775 14.862 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.621 15.273 0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.200 13.859 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.004 14.030 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.285 12.843 1.595 1.00 0.00 H new ATOM 723 N GLY A 48 -6.647 13.141 -2.630 1.00 0.00 N ATOM 724 CA GLY A 48 -5.258 13.318 -3.017 1.00 0.00 C ATOM 725 C GLY A 48 -4.499 11.991 -2.959 1.00 0.00 C ATOM 726 O GLY A 48 -3.620 11.738 -3.781 1.00 0.00 O ATOM 0 H GLY A 48 -7.241 12.731 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.207 13.726 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.782 14.042 -2.356 1.00 0.00 H new ATOM 730 N VAL A 49 -4.866 11.178 -1.979 1.00 0.00 N ATOM 731 CA VAL A 49 -4.230 9.884 -1.803 1.00 0.00 C ATOM 732 C VAL A 49 -4.852 8.879 -2.774 1.00 0.00 C ATOM 733 O VAL A 49 -6.051 8.931 -3.044 1.00 0.00 O ATOM 734 CB VAL A 49 -4.334 9.444 -0.341 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.278 8.388 -0.010 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.223 10.644 0.602 1.00 0.00 C ATOM 0 H VAL A 49 -5.596 11.391 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.167 9.947 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.316 8.993 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.374 8.093 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.423 7.516 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.284 8.802 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.300 10.304 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.262 11.136 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.028 11.348 0.391 1.00 0.00 H new ATOM 746 N ASN A 50 -4.009 7.987 -3.274 1.00 0.00 N ATOM 747 CA ASN A 50 -4.461 6.972 -4.210 1.00 0.00 C ATOM 748 C ASN A 50 -4.698 5.660 -3.458 1.00 0.00 C ATOM 749 O ASN A 50 -3.927 5.302 -2.569 1.00 0.00 O ATOM 750 CB ASN A 50 -3.411 6.713 -5.292 1.00 0.00 C ATOM 751 CG ASN A 50 -3.425 7.822 -6.346 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.248 7.848 -7.246 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.471 8.734 -6.184 1.00 0.00 N ATOM 0 H ASN A 50 -3.015 7.946 -3.048 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.379 7.329 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.422 6.651 -4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.604 5.752 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.396 9.515 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.814 8.652 -5.408 1.00 0.00 H new ATOM 760 N LEU A 51 -5.769 4.980 -3.842 1.00 0.00 N ATOM 761 CA LEU A 51 -6.117 3.716 -3.215 1.00 0.00 C ATOM 762 C LEU A 51 -6.574 2.728 -4.290 1.00 0.00 C ATOM 763 O LEU A 51 -7.257 3.110 -5.239 1.00 0.00 O ATOM 764 CB LEU A 51 -7.145 3.935 -2.103 1.00 0.00 C ATOM 765 CG LEU A 51 -7.756 2.670 -1.497 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.669 1.663 -1.118 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.659 3.012 -0.310 1.00 0.00 C ATOM 0 H LEU A 51 -6.407 5.281 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.245 3.278 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.671 4.505 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.952 4.552 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.383 2.198 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.131 0.773 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.104 1.386 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.997 2.111 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.081 2.095 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.075 3.520 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.466 3.665 -0.643 1.00 0.00 H new ATOM 779 N ASN A 52 -6.179 1.477 -4.104 1.00 0.00 N ATOM 780 CA ASN A 52 -6.540 0.431 -5.046 1.00 0.00 C ATOM 781 C ASN A 52 -6.906 -0.839 -4.276 1.00 0.00 C ATOM 782 O ASN A 52 -6.069 -1.407 -3.575 1.00 0.00 O ATOM 783 CB ASN A 52 -5.371 0.100 -5.976 1.00 0.00 C ATOM 784 CG ASN A 52 -5.790 -0.912 -7.044 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.311 -0.568 -8.093 1.00 0.00 O ATOM 786 ND2 ASN A 52 -5.534 -2.177 -6.721 1.00 0.00 N ATOM 0 H ASN A 52 -5.613 1.164 -3.315 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.383 0.787 -5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.013 1.012 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.541 -0.302 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.776 -2.928 -7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.096 -2.396 -5.826 1.00 0.00 H new ATOM 793 N CYS A 53 -8.156 -1.248 -4.431 1.00 0.00 N ATOM 794 CA CYS A 53 -8.643 -2.440 -3.758 1.00 0.00 C ATOM 795 C CYS A 53 -8.908 -3.514 -4.816 1.00 0.00 C ATOM 796 O CYS A 53 -9.353 -3.206 -5.920 1.00 0.00 O ATOM 797 CB CYS A 53 -9.888 -2.148 -2.918 1.00 0.00 C ATOM 798 SG CYS A 53 -9.659 -0.871 -1.627 1.00 0.00 S ATOM 0 H CYS A 53 -8.847 -0.775 -5.013 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.889 -2.798 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.692 -1.833 -3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.213 -3.073 -2.441 1.00 0.00 H new ATOM 803 N CYS A 54 -8.622 -4.752 -4.440 1.00 0.00 N ATOM 804 CA CYS A 54 -8.824 -5.873 -5.343 1.00 0.00 C ATOM 805 C CYS A 54 -9.098 -7.122 -4.503 1.00 0.00 C ATOM 806 O CYS A 54 -8.822 -7.142 -3.305 1.00 0.00 O ATOM 807 CB CYS A 54 -7.630 -6.066 -6.281 1.00 0.00 C ATOM 808 SG CYS A 54 -5.996 -5.764 -5.515 1.00 0.00 S ATOM 0 H CYS A 54 -8.252 -5.004 -3.523 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.680 -5.675 -5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.651 -7.085 -6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.745 -5.398 -7.134 1.00 0.00 H new ATOM 813 N ARG A 55 -9.638 -8.135 -5.165 1.00 0.00 N ATOM 814 CA ARG A 55 -9.952 -9.385 -4.495 1.00 0.00 C ATOM 815 C ARG A 55 -9.043 -10.505 -5.006 1.00 0.00 C ATOM 816 O ARG A 55 -9.512 -11.602 -5.304 1.00 0.00 O ATOM 817 CB ARG A 55 -11.413 -9.779 -4.722 1.00 0.00 C ATOM 818 CG ARG A 55 -12.361 -8.737 -4.127 1.00 0.00 C ATOM 819 CD ARG A 55 -13.661 -8.656 -4.930 1.00 0.00 C ATOM 820 NE ARG A 55 -14.445 -7.475 -4.506 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.729 -7.270 -4.830 1.00 0.00 C ATOM 822 NH1 ARG A 55 -16.381 -8.165 -5.584 1.00 0.00 N ATOM 823 NH2 ARG A 55 -16.361 -6.169 -4.400 1.00 0.00 N ATOM 0 H ARG A 55 -9.866 -8.115 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.788 -9.239 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.604 -9.881 -5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.606 -10.752 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.585 -8.993 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.875 -7.762 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.437 -8.591 -5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.246 -9.564 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.979 -6.773 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.900 -9.003 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.358 -8.009 -5.830 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.865 -5.487 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.338 -6.013 -4.647 1.00 0.00 H new ATOM 837 N THR A 56 -7.760 -10.188 -5.093 1.00 0.00 N ATOM 838 CA THR A 56 -6.781 -11.154 -5.563 1.00 0.00 C ATOM 839 C THR A 56 -5.566 -11.178 -4.633 1.00 0.00 C ATOM 840 O THR A 56 -5.166 -10.143 -4.102 1.00 0.00 O ATOM 841 CB THR A 56 -6.431 -10.805 -7.011 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.497 -9.382 -7.052 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.508 -11.257 -8.000 1.00 0.00 C ATOM 0 H THR A 56 -7.375 -9.276 -4.846 1.00 0.00 H new ATOM 0 HA THR A 56 -7.184 -12.167 -5.545 1.00 0.00 H new ATOM 0 HB THR A 56 -5.480 -11.267 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.282 -9.070 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.210 -10.985 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.630 -12.338 -7.936 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.453 -10.770 -7.757 1.00 0.00 H new ATOM 851 N ASP A 57 -5.014 -12.370 -4.465 1.00 0.00 N ATOM 852 CA ASP A 57 -3.853 -12.543 -3.608 1.00 0.00 C ATOM 853 C ASP A 57 -2.691 -11.713 -4.157 1.00 0.00 C ATOM 854 O ASP A 57 -2.487 -11.649 -5.369 1.00 0.00 O ATOM 855 CB ASP A 57 -3.411 -14.007 -3.569 1.00 0.00 C ATOM 856 CG ASP A 57 -4.473 -14.991 -3.075 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.633 -15.081 -1.839 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.102 -15.631 -3.946 1.00 0.00 O ATOM 0 H ASP A 57 -5.349 -13.226 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.125 -12.221 -2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.101 -14.304 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.534 -14.089 -2.926 1.00 0.00 H new ATOM 863 N ARG A 58 -1.960 -11.097 -3.240 1.00 0.00 N ATOM 864 CA ARG A 58 -0.824 -10.273 -3.617 1.00 0.00 C ATOM 865 C ARG A 58 -1.163 -9.434 -4.850 1.00 0.00 C ATOM 866 O ARG A 58 -0.321 -9.242 -5.726 1.00 0.00 O ATOM 867 CB ARG A 58 0.405 -11.134 -3.917 1.00 0.00 C ATOM 868 CG ARG A 58 0.508 -12.303 -2.936 1.00 0.00 C ATOM 869 CD ARG A 58 1.934 -12.857 -2.891 1.00 0.00 C ATOM 870 NE ARG A 58 2.133 -13.642 -1.652 1.00 0.00 N ATOM 871 CZ ARG A 58 3.218 -14.387 -1.401 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.208 -14.453 -2.301 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.313 -15.066 -0.249 1.00 0.00 N ATOM 0 H ARG A 58 -2.132 -11.152 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.598 -9.616 -2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.347 -11.514 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.305 -10.523 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.210 -11.974 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.183 -13.092 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.117 -13.485 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.653 -12.038 -2.932 1.00 0.00 H new ATOM 0 HE ARG A 58 1.398 -13.614 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.136 -13.936 -3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.034 -15.020 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.559 -15.015 0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.139 -15.633 -0.058 1.00 0.00 H new ATOM 887 N CYS A 59 -2.399 -8.956 -4.879 1.00 0.00 N ATOM 888 CA CYS A 59 -2.860 -8.141 -5.991 1.00 0.00 C ATOM 889 C CYS A 59 -2.484 -6.685 -5.708 1.00 0.00 C ATOM 890 O CYS A 59 -2.360 -5.881 -6.631 1.00 0.00 O ATOM 891 CB CYS A 59 -4.362 -8.306 -6.228 1.00 0.00 C ATOM 892 SG CYS A 59 -5.429 -7.574 -4.934 1.00 0.00 S ATOM 0 H CYS A 59 -3.095 -9.117 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.375 -8.468 -6.911 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.616 -7.854 -7.187 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.588 -9.369 -6.307 1.00 0.00 H new ATOM 897 N ASN A 60 -2.312 -6.390 -4.428 1.00 0.00 N ATOM 898 CA ASN A 60 -1.952 -5.045 -4.012 1.00 0.00 C ATOM 899 C ASN A 60 -0.433 -4.956 -3.846 1.00 0.00 C ATOM 900 O ASN A 60 0.056 -4.459 -2.833 1.00 0.00 O ATOM 901 CB ASN A 60 -2.595 -4.693 -2.669 1.00 0.00 C ATOM 902 CG ASN A 60 -2.011 -5.546 -1.541 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.712 -6.718 -1.704 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.865 -4.895 -0.390 1.00 0.00 N ATOM 0 H ASN A 60 -2.415 -7.059 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.305 -4.351 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.435 -3.637 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.672 -4.847 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.483 -5.377 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.135 -3.914 -0.321 1.00 0.00 H new ATOM 911 N ASN A 61 0.270 -5.446 -4.857 1.00 0.00 N ATOM 912 CA ASN A 61 1.722 -5.428 -4.836 1.00 0.00 C ATOM 913 C ASN A 61 2.213 -3.991 -5.025 1.00 0.00 C ATOM 914 O ASN A 61 1.560 -3.266 -5.807 1.00 0.00 O ATOM 915 CB ASN A 61 2.300 -6.278 -5.970 1.00 0.00 C ATOM 916 CG ASN A 61 3.789 -6.548 -5.748 1.00 0.00 C ATOM 917 OD1 ASN A 61 4.257 -6.717 -4.634 1.00 0.00 O ATOM 918 ND2 ASN A 61 4.506 -6.580 -6.868 1.00 0.00 N ATOM 919 OXT ASN A 61 3.230 -3.649 -4.384 1.00 0.00 O ATOM 0 H ASN A 61 -0.140 -5.858 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 61 2.050 -5.832 -3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.761 -7.223 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.157 -5.766 -6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.510 -6.754 -6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.052 -6.430 -7.769 1.00 0.00 H new TER 926 ASN A 61