USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 47 ASN : amide:sc= 1.14 K(o=1.3,f=-3.9!) USER MOD Set 1.2: A 49 THR OG1 : rot 57:sc= 0.157! USER MOD Set 2.1: A 2 THR OG1 : rot -148:sc= 1.59 USER MOD Set 2.2: A 5 GLN : amide:sc= 0.697 K(o=2.3,f=-4.4!) USER MOD Single : A 1 LEU N :NH3+ -114:sc= -0.0483 (180deg=-1.32) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0.55 (180deg=0.547) USER MOD Single : A 9 SER OG : rot -35:sc= 1.15 USER MOD Single : A 10 HIS : no HE2:sc= 0.402 K(o=0.4,f=-2.7!) USER MOD Single : A 15 HIS : no HE2:sc= 0.24 K(o=0.24,f=-6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 1.12 (180deg=1.06) USER MOD Single : A 26 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.663 K(o=0.66,f=-0.31) USER MOD Single : A 29 TYR OH : rot 45:sc= 1.21 USER MOD Single : A 33 GLN : amide:sc= 3.01 K(o=3,f=-6.3!) USER MOD Single : A 35 TYR OH : rot 28:sc= 1.52 USER MOD Single : A 37 SER OG : rot -130:sc= 2.04 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.642 K(o=0.64,f=-0.0095) USER MOD Single : A 54 THR OG1 : rot -74:sc= 1.95 USER MOD Single : A 56 SER OG : rot 180:sc= -0.262 USER MOD Single : A 59 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.32) USER MOD Single : A 60 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-3.4!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.154 9.877 0.640 1.00 0.00 N ATOM 2 CA LEU A 1 13.944 9.128 0.316 1.00 0.00 C ATOM 3 C LEU A 1 12.865 9.373 1.384 1.00 0.00 C ATOM 4 O LEU A 1 13.175 9.719 2.524 1.00 0.00 O ATOM 5 CB LEU A 1 14.283 7.624 0.227 1.00 0.00 C ATOM 6 CG LEU A 1 14.769 7.141 -1.152 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.089 7.776 -1.598 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.965 5.621 -1.114 1.00 0.00 C ATOM 0 H1 LEU A 1 15.312 10.610 -0.080 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.046 10.325 1.572 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.968 9.230 0.659 1.00 0.00 H new ATOM 0 HA LEU A 1 13.556 9.465 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.052 7.397 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.397 7.052 0.503 1.00 0.00 H new ATOM 0 HG LEU A 1 14.003 7.440 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.367 7.387 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.971 8.858 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.870 7.536 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.309 5.274 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.707 5.369 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.019 5.138 -0.870 1.00 0.00 H new ATOM 20 N THR A 2 11.598 9.133 1.031 1.00 0.00 N ATOM 21 CA THR A 2 10.474 9.126 1.970 1.00 0.00 C ATOM 22 C THR A 2 10.360 7.778 2.689 1.00 0.00 C ATOM 23 O THR A 2 10.907 6.776 2.231 1.00 0.00 O ATOM 24 CB THR A 2 9.137 9.377 1.253 1.00 0.00 C ATOM 25 OG1 THR A 2 8.832 8.263 0.440 1.00 0.00 O ATOM 26 CG2 THR A 2 9.121 10.667 0.430 1.00 0.00 C ATOM 0 H THR A 2 11.321 8.935 0.069 1.00 0.00 H new ATOM 0 HA THR A 2 10.672 9.924 2.685 1.00 0.00 H new ATOM 0 HB THR A 2 8.374 9.506 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.339 8.562 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.148 10.781 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.306 11.519 1.085 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.898 10.621 -0.333 1.00 0.00 H new ATOM 34 N LYS A 3 9.551 7.714 3.758 1.00 0.00 N ATOM 35 CA LYS A 3 9.202 6.453 4.426 1.00 0.00 C ATOM 36 C LYS A 3 8.639 5.414 3.445 1.00 0.00 C ATOM 37 O LYS A 3 9.050 4.257 3.490 1.00 0.00 O ATOM 38 CB LYS A 3 8.235 6.738 5.585 1.00 0.00 C ATOM 39 CG LYS A 3 8.010 5.491 6.453 1.00 0.00 C ATOM 40 CD LYS A 3 6.942 5.755 7.520 1.00 0.00 C ATOM 41 CE LYS A 3 6.576 4.444 8.219 1.00 0.00 C ATOM 42 NZ LYS A 3 5.386 4.614 9.073 1.00 0.00 N ATOM 0 H LYS A 3 9.121 8.536 4.183 1.00 0.00 H new ATOM 0 HA LYS A 3 10.112 6.012 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.633 7.544 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.280 7.082 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.703 4.655 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.946 5.203 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.313 6.476 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.056 6.193 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.386 3.671 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.416 4.103 8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.179 3.720 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.567 5.359 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.572 4.883 8.484 1.00 0.00 H new ATOM 56 N CYS A 4 7.766 5.837 2.522 1.00 0.00 N ATOM 57 CA CYS A 4 7.271 4.994 1.435 1.00 0.00 C ATOM 58 C CYS A 4 8.437 4.428 0.614 1.00 0.00 C ATOM 59 O CYS A 4 8.627 3.215 0.594 1.00 0.00 O ATOM 60 CB CYS A 4 6.271 5.771 0.565 1.00 0.00 C ATOM 61 SG CYS A 4 5.422 4.758 -0.677 1.00 0.00 S ATOM 0 H CYS A 4 7.382 6.782 2.512 1.00 0.00 H new ATOM 0 HA CYS A 4 6.738 4.144 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.525 6.233 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.798 6.580 0.059 1.00 0.00 H new ATOM 66 N GLN A 5 9.241 5.301 -0.010 1.00 0.00 N ATOM 67 CA GLN A 5 10.375 4.929 -0.863 1.00 0.00 C ATOM 68 C GLN A 5 11.394 4.037 -0.140 1.00 0.00 C ATOM 69 O GLN A 5 11.847 3.045 -0.709 1.00 0.00 O ATOM 70 CB GLN A 5 11.062 6.198 -1.375 1.00 0.00 C ATOM 71 CG GLN A 5 10.213 6.991 -2.379 1.00 0.00 C ATOM 72 CD GLN A 5 10.863 8.332 -2.702 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.329 9.048 -1.828 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.910 8.731 -3.959 1.00 0.00 N ATOM 0 H GLN A 5 9.116 6.310 0.068 1.00 0.00 H new ATOM 0 HA GLN A 5 9.981 4.347 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.301 6.840 -0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.007 5.926 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.090 6.412 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.216 7.155 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.524 8.141 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.332 9.629 -4.193 1.00 0.00 H new ATOM 83 N GLU A 6 11.726 4.361 1.115 1.00 0.00 N ATOM 84 CA GLU A 6 12.563 3.541 1.992 1.00 0.00 C ATOM 85 C GLU A 6 11.977 2.143 2.143 1.00 0.00 C ATOM 86 O GLU A 6 12.666 1.172 1.861 1.00 0.00 O ATOM 87 CB GLU A 6 12.669 4.188 3.376 1.00 0.00 C ATOM 88 CG GLU A 6 13.597 5.410 3.394 1.00 0.00 C ATOM 89 CD GLU A 6 13.605 6.093 4.763 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.540 6.624 5.149 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.676 6.074 5.408 1.00 0.00 O ATOM 0 H GLU A 6 11.411 5.224 1.558 1.00 0.00 H new ATOM 0 HA GLU A 6 13.553 3.468 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.675 4.488 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.035 3.450 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.610 5.102 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.276 6.122 2.634 1.00 0.00 H new ATOM 98 N GLU A 7 10.705 2.031 2.541 1.00 0.00 N ATOM 99 CA GLU A 7 10.044 0.735 2.684 1.00 0.00 C ATOM 100 C GLU A 7 10.054 -0.052 1.369 1.00 0.00 C ATOM 101 O GLU A 7 10.363 -1.242 1.400 1.00 0.00 O ATOM 102 CB GLU A 7 8.616 0.908 3.226 1.00 0.00 C ATOM 103 CG GLU A 7 8.564 1.308 4.710 1.00 0.00 C ATOM 104 CD GLU A 7 8.842 0.127 5.640 1.00 0.00 C ATOM 105 OE1 GLU A 7 10.034 -0.229 5.779 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.857 -0.402 6.198 1.00 0.00 O ATOM 0 H GLU A 7 10.112 2.829 2.770 1.00 0.00 H new ATOM 0 HA GLU A 7 10.610 0.151 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.102 1.667 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.070 -0.025 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.295 2.095 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.582 1.724 4.938 1.00 0.00 H new ATOM 113 N VAL A 8 9.811 0.587 0.212 1.00 0.00 N ATOM 114 CA VAL A 8 9.904 -0.112 -1.088 1.00 0.00 C ATOM 115 C VAL A 8 11.340 -0.590 -1.366 1.00 0.00 C ATOM 116 O VAL A 8 11.557 -1.660 -1.935 1.00 0.00 O ATOM 117 CB VAL A 8 9.409 0.709 -2.307 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.919 -0.235 -3.412 1.00 0.00 C ATOM 119 CG2 VAL A 8 8.263 1.684 -2.029 1.00 0.00 C ATOM 0 H VAL A 8 9.552 1.571 0.146 1.00 0.00 H new ATOM 0 HA VAL A 8 9.228 -0.960 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 8 10.279 1.299 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.573 0.351 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.737 -0.884 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.098 -0.844 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.997 2.204 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.398 1.133 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.577 2.410 -1.279 1.00 0.00 H new ATOM 129 N SER A 9 12.330 0.204 -0.944 1.00 0.00 N ATOM 130 CA SER A 9 13.766 -0.077 -1.030 1.00 0.00 C ATOM 131 C SER A 9 14.321 -0.953 0.110 1.00 0.00 C ATOM 132 O SER A 9 15.546 -1.113 0.196 1.00 0.00 O ATOM 133 CB SER A 9 14.525 1.257 -1.088 1.00 0.00 C ATOM 134 OG SER A 9 15.895 1.009 -1.326 1.00 0.00 O ATOM 0 H SER A 9 12.140 1.108 -0.510 1.00 0.00 H new ATOM 0 HA SER A 9 13.915 -0.663 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.116 1.886 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.400 1.800 -0.151 1.00 0.00 H new ATOM 0 HG SER A 9 16.162 0.183 -0.871 1.00 0.00 H new ATOM 140 N HIS A 10 13.478 -1.492 0.999 1.00 0.00 N ATOM 141 CA HIS A 10 13.884 -2.339 2.132 1.00 0.00 C ATOM 142 C HIS A 10 13.082 -3.645 2.191 1.00 0.00 C ATOM 143 O HIS A 10 13.638 -4.696 2.501 1.00 0.00 O ATOM 144 CB HIS A 10 13.741 -1.563 3.453 1.00 0.00 C ATOM 145 CG HIS A 10 14.612 -0.333 3.588 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.669 0.027 2.781 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.433 0.671 4.500 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.113 1.225 3.198 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.395 1.655 4.248 1.00 0.00 N ATOM 0 H HIS A 10 12.469 -1.349 0.951 1.00 0.00 H new ATOM 0 HA HIS A 10 14.930 -2.607 1.983 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.699 -1.262 3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.969 -2.239 4.277 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.047 -0.518 2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.683 0.699 5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.933 1.767 2.751 1.00 0.00 H new ATOM 157 N ILE A 11 11.789 -3.586 1.863 1.00 0.00 N ATOM 158 CA ILE A 11 10.894 -4.731 1.716 1.00 0.00 C ATOM 159 C ILE A 11 10.909 -5.117 0.229 1.00 0.00 C ATOM 160 O ILE A 11 10.552 -4.275 -0.593 1.00 0.00 O ATOM 161 CB ILE A 11 9.466 -4.366 2.191 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.496 -3.858 3.654 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.549 -5.597 2.048 1.00 0.00 C ATOM 164 CD1 ILE A 11 8.137 -3.411 4.198 1.00 0.00 C ATOM 0 H ILE A 11 11.319 -2.698 1.685 1.00 0.00 H new ATOM 0 HA ILE A 11 11.222 -5.571 2.329 1.00 0.00 H new ATOM 0 HB ILE A 11 9.071 -3.562 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.886 -4.651 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.193 -3.023 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.543 -5.342 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.517 -5.907 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.938 -6.413 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.251 -3.071 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.751 -2.595 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.440 -4.248 4.168 1.00 0.00 H new ATOM 176 N PRO A 12 11.337 -6.335 -0.155 1.00 0.00 N ATOM 177 CA PRO A 12 11.323 -6.773 -1.550 1.00 0.00 C ATOM 178 C PRO A 12 9.913 -7.179 -2.008 1.00 0.00 C ATOM 179 O PRO A 12 9.024 -7.424 -1.193 1.00 0.00 O ATOM 180 CB PRO A 12 12.279 -7.972 -1.576 1.00 0.00 C ATOM 181 CG PRO A 12 12.072 -8.603 -0.199 1.00 0.00 C ATOM 182 CD PRO A 12 11.862 -7.388 0.705 1.00 0.00 C ATOM 0 HA PRO A 12 11.626 -5.978 -2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.034 -8.667 -2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.313 -7.661 -1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.210 -9.270 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.936 -9.192 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.165 -7.617 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.799 -7.081 1.171 1.00 0.00 H new ATOM 190 N ALA A 13 9.733 -7.359 -3.323 1.00 0.00 N ATOM 191 CA ALA A 13 8.497 -7.878 -3.926 1.00 0.00 C ATOM 192 C ALA A 13 8.087 -9.272 -3.401 1.00 0.00 C ATOM 193 O ALA A 13 6.909 -9.622 -3.414 1.00 0.00 O ATOM 194 CB ALA A 13 8.676 -7.904 -5.447 1.00 0.00 C ATOM 0 H ALA A 13 10.455 -7.144 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 13 7.683 -7.212 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.768 -8.287 -5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.871 -6.894 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.516 -8.550 -5.704 1.00 0.00 H new ATOM 200 N VAL A 14 9.042 -10.054 -2.885 1.00 0.00 N ATOM 201 CA VAL A 14 8.807 -11.326 -2.197 1.00 0.00 C ATOM 202 C VAL A 14 8.398 -11.029 -0.748 1.00 0.00 C ATOM 203 O VAL A 14 9.181 -11.198 0.184 1.00 0.00 O ATOM 204 CB VAL A 14 10.032 -12.265 -2.300 1.00 0.00 C ATOM 205 CG1 VAL A 14 9.713 -13.661 -1.741 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.476 -12.454 -3.761 1.00 0.00 C ATOM 0 H VAL A 14 10.031 -9.810 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 14 7.993 -11.866 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 14 10.825 -11.792 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.594 -14.298 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.428 -13.577 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.891 -14.100 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.339 -13.119 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.659 -12.889 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.746 -11.488 -4.187 1.00 0.00 H new ATOM 216 N HIS A 15 7.149 -10.586 -0.571 1.00 0.00 N ATOM 217 CA HIS A 15 6.546 -10.307 0.741 1.00 0.00 C ATOM 218 C HIS A 15 5.301 -11.178 1.054 1.00 0.00 C ATOM 219 O HIS A 15 4.201 -10.656 1.269 1.00 0.00 O ATOM 220 CB HIS A 15 6.340 -8.789 0.907 1.00 0.00 C ATOM 221 CG HIS A 15 5.371 -8.143 -0.055 1.00 0.00 C ATOM 222 ND1 HIS A 15 4.044 -7.889 0.193 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.664 -7.618 -1.283 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.554 -7.211 -0.858 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.496 -7.042 -1.793 1.00 0.00 N ATOM 0 H HIS A 15 6.515 -10.407 -1.349 1.00 0.00 H new ATOM 0 HA HIS A 15 7.246 -10.618 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.994 -8.598 1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.307 -8.298 0.802 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.524 -8.166 1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.626 -7.644 -1.772 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.539 -6.852 -0.937 1.00 0.00 H new ATOM 233 N PRO A 16 5.435 -12.520 1.133 1.00 0.00 N ATOM 234 CA PRO A 16 4.358 -13.405 1.577 1.00 0.00 C ATOM 235 C PRO A 16 4.083 -13.211 3.079 1.00 0.00 C ATOM 236 O PRO A 16 4.972 -13.393 3.908 1.00 0.00 O ATOM 237 CB PRO A 16 4.834 -14.823 1.250 1.00 0.00 C ATOM 238 CG PRO A 16 6.356 -14.721 1.355 1.00 0.00 C ATOM 239 CD PRO A 16 6.644 -13.298 0.879 1.00 0.00 C ATOM 0 HA PRO A 16 3.413 -13.193 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.431 -15.553 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.520 -15.132 0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.701 -14.881 2.376 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.853 -15.463 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.496 -12.876 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.896 -13.288 -0.182 1.00 0.00 H new ATOM 247 N GLY A 17 2.857 -12.804 3.428 1.00 0.00 N ATOM 248 CA GLY A 17 2.462 -12.527 4.815 1.00 0.00 C ATOM 249 C GLY A 17 2.895 -11.151 5.336 1.00 0.00 C ATOM 250 O GLY A 17 2.732 -10.877 6.522 1.00 0.00 O ATOM 0 H GLY A 17 2.107 -12.657 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.378 -12.607 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.886 -13.296 5.461 1.00 0.00 H new ATOM 254 N SER A 18 3.430 -10.282 4.468 1.00 0.00 N ATOM 255 CA SER A 18 3.792 -8.892 4.771 1.00 0.00 C ATOM 256 C SER A 18 3.385 -7.971 3.611 1.00 0.00 C ATOM 257 O SER A 18 2.821 -8.433 2.618 1.00 0.00 O ATOM 258 CB SER A 18 5.290 -8.818 5.091 1.00 0.00 C ATOM 259 OG SER A 18 5.632 -7.527 5.559 1.00 0.00 O ATOM 0 H SER A 18 3.630 -10.537 3.501 1.00 0.00 H new ATOM 0 HA SER A 18 3.249 -8.543 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.545 -9.564 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.871 -9.054 4.199 1.00 0.00 H new ATOM 0 HG SER A 18 6.590 -7.495 5.761 1.00 0.00 H new ATOM 265 N PHE A 19 3.650 -6.666 3.709 1.00 0.00 N ATOM 266 CA PHE A 19 3.242 -5.681 2.709 1.00 0.00 C ATOM 267 C PHE A 19 4.383 -4.746 2.288 1.00 0.00 C ATOM 268 O PHE A 19 5.215 -4.361 3.105 1.00 0.00 O ATOM 269 CB PHE A 19 2.024 -4.905 3.222 1.00 0.00 C ATOM 270 CG PHE A 19 1.476 -3.969 2.166 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.946 -4.507 0.980 1.00 0.00 C ATOM 272 CD2 PHE A 19 1.620 -2.575 2.306 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.586 -3.654 -0.073 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.234 -1.721 1.258 1.00 0.00 C ATOM 275 CZ PHE A 19 0.737 -2.263 0.061 1.00 0.00 C ATOM 0 H PHE A 19 4.160 -6.261 4.494 1.00 0.00 H new ATOM 0 HA PHE A 19 2.964 -6.219 1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.247 -5.606 3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.302 -4.333 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.817 -5.575 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.027 -2.162 3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.192 -4.067 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.319 -0.651 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.471 -1.610 -0.757 1.00 0.00 H new ATOM 285 N ARG A 20 4.371 -4.351 1.008 1.00 0.00 N ATOM 286 CA ARG A 20 5.324 -3.458 0.348 1.00 0.00 C ATOM 287 C ARG A 20 4.542 -2.288 -0.267 1.00 0.00 C ATOM 288 O ARG A 20 3.728 -2.530 -1.161 1.00 0.00 O ATOM 289 CB ARG A 20 6.071 -4.257 -0.728 1.00 0.00 C ATOM 290 CG ARG A 20 7.212 -3.469 -1.374 1.00 0.00 C ATOM 291 CD ARG A 20 7.766 -4.250 -2.570 1.00 0.00 C ATOM 292 NE ARG A 20 9.138 -3.824 -2.866 1.00 0.00 N ATOM 293 CZ ARG A 20 9.763 -3.774 -4.029 1.00 0.00 C ATOM 294 NH1 ARG A 20 9.180 -4.141 -5.145 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.996 -3.332 -4.061 1.00 0.00 N ATOM 0 H ARG A 20 3.645 -4.670 0.366 1.00 0.00 H new ATOM 0 HA ARG A 20 6.053 -3.058 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.472 -5.168 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.366 -4.563 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.854 -2.492 -1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.003 -3.292 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.748 -5.318 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.132 -4.090 -3.442 1.00 0.00 H new ATOM 0 HE ARG A 20 9.687 -3.524 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.217 -4.477 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.690 -4.091 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.454 -3.035 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.498 -3.285 -4.948 1.00 0.00 H new ATOM 309 N PRO A 21 4.714 -1.044 0.216 1.00 0.00 N ATOM 310 CA PRO A 21 3.926 0.081 -0.269 1.00 0.00 C ATOM 311 C PRO A 21 4.348 0.536 -1.672 1.00 0.00 C ATOM 312 O PRO A 21 5.458 0.267 -2.125 1.00 0.00 O ATOM 313 CB PRO A 21 4.122 1.183 0.774 1.00 0.00 C ATOM 314 CG PRO A 21 5.523 0.908 1.319 1.00 0.00 C ATOM 315 CD PRO A 21 5.628 -0.617 1.267 1.00 0.00 C ATOM 0 HA PRO A 21 2.876 -0.191 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.052 2.175 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.368 1.132 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.292 1.385 0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.640 1.285 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.649 -0.931 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.356 -1.060 2.225 1.00 0.00 H new ATOM 323 N LYS A 22 3.456 1.276 -2.335 1.00 0.00 N ATOM 324 CA LYS A 22 3.700 2.000 -3.590 1.00 0.00 C ATOM 325 C LYS A 22 3.489 3.506 -3.370 1.00 0.00 C ATOM 326 O LYS A 22 2.694 3.909 -2.517 1.00 0.00 O ATOM 327 CB LYS A 22 2.786 1.460 -4.706 1.00 0.00 C ATOM 328 CG LYS A 22 3.226 0.134 -5.357 1.00 0.00 C ATOM 329 CD LYS A 22 3.128 -1.147 -4.513 1.00 0.00 C ATOM 330 CE LYS A 22 1.721 -1.406 -3.970 1.00 0.00 C ATOM 331 NZ LYS A 22 1.670 -2.701 -3.268 1.00 0.00 N ATOM 0 H LYS A 22 2.500 1.394 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 22 4.732 1.843 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.785 1.326 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.712 2.218 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.628 -0.012 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.262 0.246 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.439 -1.998 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.826 -1.078 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.434 -0.605 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.002 -1.401 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.684 -2.925 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.052 -3.446 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.238 -2.647 -2.398 1.00 0.00 H new ATOM 345 N CYS A 23 4.169 4.339 -4.162 1.00 0.00 N ATOM 346 CA CYS A 23 4.267 5.790 -3.963 1.00 0.00 C ATOM 347 C CYS A 23 3.969 6.561 -5.256 1.00 0.00 C ATOM 348 O CYS A 23 4.195 6.065 -6.358 1.00 0.00 O ATOM 349 CB CYS A 23 5.685 6.130 -3.446 1.00 0.00 C ATOM 350 SG CYS A 23 6.536 4.920 -2.377 1.00 0.00 S ATOM 0 H CYS A 23 4.681 4.015 -4.982 1.00 0.00 H new ATOM 0 HA CYS A 23 3.520 6.093 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.320 6.310 -4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.621 7.070 -2.897 1.00 0.00 H new ATOM 355 N ASP A 24 3.459 7.785 -5.110 1.00 0.00 N ATOM 356 CA ASP A 24 3.231 8.731 -6.194 1.00 0.00 C ATOM 357 C ASP A 24 4.516 9.481 -6.598 1.00 0.00 C ATOM 358 O ASP A 24 5.581 9.288 -6.012 1.00 0.00 O ATOM 359 CB ASP A 24 2.062 9.669 -5.836 1.00 0.00 C ATOM 360 CG ASP A 24 2.335 10.604 -4.658 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.220 11.477 -4.811 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.629 10.474 -3.633 1.00 0.00 O ATOM 0 H ASP A 24 3.185 8.154 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 24 2.942 8.175 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.815 10.271 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.185 9.064 -5.607 1.00 0.00 H new ATOM 367 N GLU A 25 4.416 10.370 -7.594 1.00 0.00 N ATOM 368 CA GLU A 25 5.553 11.074 -8.204 1.00 0.00 C ATOM 369 C GLU A 25 6.352 11.969 -7.241 1.00 0.00 C ATOM 370 O GLU A 25 7.493 12.310 -7.534 1.00 0.00 O ATOM 371 CB GLU A 25 5.100 11.863 -9.453 1.00 0.00 C ATOM 372 CG GLU A 25 4.288 13.156 -9.217 1.00 0.00 C ATOM 373 CD GLU A 25 2.867 12.967 -8.670 1.00 0.00 C ATOM 374 OE1 GLU A 25 2.334 11.837 -8.772 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.325 13.962 -8.141 1.00 0.00 O ATOM 0 H GLU A 25 3.520 10.627 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 25 6.251 10.291 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.988 12.123 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.501 11.197 -10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.842 13.788 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.224 13.698 -10.160 1.00 0.00 H new ATOM 382 N ASN A 26 5.775 12.316 -6.086 1.00 0.00 N ATOM 383 CA ASN A 26 6.442 13.067 -5.016 1.00 0.00 C ATOM 384 C ASN A 26 7.189 12.147 -4.027 1.00 0.00 C ATOM 385 O ASN A 26 7.779 12.633 -3.066 1.00 0.00 O ATOM 386 CB ASN A 26 5.405 13.930 -4.272 1.00 0.00 C ATOM 387 CG ASN A 26 4.511 14.720 -5.215 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.878 15.759 -5.736 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.324 14.213 -5.480 1.00 0.00 N ATOM 0 H ASN A 26 4.809 12.077 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 26 7.194 13.707 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.787 13.287 -3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.924 14.620 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.699 14.691 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.031 13.343 -5.036 1.00 0.00 H new ATOM 396 N GLY A 27 7.119 10.821 -4.213 1.00 0.00 N ATOM 397 CA GLY A 27 7.628 9.822 -3.273 1.00 0.00 C ATOM 398 C GLY A 27 6.706 9.572 -2.075 1.00 0.00 C ATOM 399 O GLY A 27 7.047 8.771 -1.208 1.00 0.00 O ATOM 0 H GLY A 27 6.695 10.407 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.781 8.882 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.603 10.144 -2.908 1.00 0.00 H new ATOM 403 N ASN A 28 5.545 10.228 -2.000 1.00 0.00 N ATOM 404 CA ASN A 28 4.543 10.016 -0.959 1.00 0.00 C ATOM 405 C ASN A 28 3.765 8.727 -1.266 1.00 0.00 C ATOM 406 O ASN A 28 3.599 8.389 -2.436 1.00 0.00 O ATOM 407 CB ASN A 28 3.629 11.255 -0.916 1.00 0.00 C ATOM 408 CG ASN A 28 2.340 10.984 -0.157 1.00 0.00 C ATOM 409 OD1 ASN A 28 2.339 10.776 1.046 1.00 0.00 O ATOM 410 ND2 ASN A 28 1.234 10.879 -0.860 1.00 0.00 N ATOM 0 H ASN A 28 5.272 10.938 -2.679 1.00 0.00 H new ATOM 0 HA ASN A 28 5.002 9.893 0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.161 12.082 -0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.392 11.567 -1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.360 10.621 -0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.249 11.056 -1.864 1.00 0.00 H new ATOM 417 N TYR A 29 3.247 8.042 -0.240 1.00 0.00 N ATOM 418 CA TYR A 29 2.404 6.854 -0.404 1.00 0.00 C ATOM 419 C TYR A 29 1.255 7.119 -1.377 1.00 0.00 C ATOM 420 O TYR A 29 0.522 8.097 -1.214 1.00 0.00 O ATOM 421 CB TYR A 29 1.811 6.423 0.941 1.00 0.00 C ATOM 422 CG TYR A 29 2.798 5.864 1.943 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.499 6.736 2.795 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.963 4.469 2.063 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.341 6.218 3.794 1.00 0.00 C ATOM 426 CE2 TYR A 29 3.791 3.947 3.073 1.00 0.00 C ATOM 427 CZ TYR A 29 4.459 4.821 3.955 1.00 0.00 C ATOM 428 OH TYR A 29 5.101 4.322 5.041 1.00 0.00 O ATOM 0 H TYR A 29 3.403 8.299 0.735 1.00 0.00 H new ATOM 0 HA TYR A 29 3.039 6.063 -0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.313 7.282 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.044 5.671 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.390 7.805 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.455 3.803 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.896 6.886 4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.915 2.879 3.173 1.00 0.00 H new ATOM 0 HH TYR A 29 4.802 4.797 5.844 1.00 0.00 H new ATOM 438 N LEU A 30 1.070 6.233 -2.365 1.00 0.00 N ATOM 439 CA LEU A 30 -0.107 6.306 -3.221 1.00 0.00 C ATOM 440 C LEU A 30 -1.366 6.242 -2.325 1.00 0.00 C ATOM 441 O LEU A 30 -1.418 5.358 -1.464 1.00 0.00 O ATOM 442 CB LEU A 30 -0.127 5.182 -4.278 1.00 0.00 C ATOM 443 CG LEU A 30 0.399 5.616 -5.657 1.00 0.00 C ATOM 444 CD1 LEU A 30 0.564 4.395 -6.562 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.547 6.596 -6.364 1.00 0.00 C ATOM 0 H LEU A 30 1.712 5.472 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.085 7.246 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.473 4.346 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.148 4.817 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 30 1.353 6.112 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.937 4.712 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.273 3.701 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.400 3.901 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.129 6.871 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.519 6.123 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.666 7.491 -5.753 1.00 0.00 H new ATOM 457 N PRO A 31 -2.362 7.140 -2.485 1.00 0.00 N ATOM 458 CA PRO A 31 -3.566 7.177 -1.648 1.00 0.00 C ATOM 459 C PRO A 31 -4.267 5.825 -1.482 1.00 0.00 C ATOM 460 O PRO A 31 -4.762 5.533 -0.397 1.00 0.00 O ATOM 461 CB PRO A 31 -4.481 8.216 -2.302 1.00 0.00 C ATOM 462 CG PRO A 31 -3.487 9.189 -2.927 1.00 0.00 C ATOM 463 CD PRO A 31 -2.357 8.275 -3.396 1.00 0.00 C ATOM 0 HA PRO A 31 -3.297 7.441 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.134 7.767 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.124 8.707 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.930 9.741 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.136 9.926 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.517 7.952 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.398 8.793 -3.370 1.00 0.00 H new ATOM 471 N LEU A 32 -4.266 4.998 -2.535 1.00 0.00 N ATOM 472 CA LEU A 32 -4.680 3.598 -2.521 1.00 0.00 C ATOM 473 C LEU A 32 -3.446 2.689 -2.425 1.00 0.00 C ATOM 474 O LEU A 32 -2.448 2.912 -3.110 1.00 0.00 O ATOM 475 CB LEU A 32 -5.438 3.305 -3.831 1.00 0.00 C ATOM 476 CG LEU A 32 -6.060 1.895 -3.912 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.357 1.794 -3.127 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.344 1.532 -5.365 1.00 0.00 C ATOM 0 H LEU A 32 -3.962 5.305 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.322 3.407 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.230 4.044 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.753 3.434 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.338 1.204 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.757 0.784 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.166 2.020 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.080 2.506 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.783 0.535 -5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.039 2.255 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.413 1.546 -5.932 1.00 0.00 H new ATOM 490 N GLN A 33 -3.554 1.616 -1.642 1.00 0.00 N ATOM 491 CA GLN A 33 -2.593 0.517 -1.581 1.00 0.00 C ATOM 492 C GLN A 33 -3.340 -0.802 -1.808 1.00 0.00 C ATOM 493 O GLN A 33 -4.470 -0.957 -1.344 1.00 0.00 O ATOM 494 CB GLN A 33 -1.908 0.513 -0.207 1.00 0.00 C ATOM 495 CG GLN A 33 -1.084 1.771 0.101 1.00 0.00 C ATOM 496 CD GLN A 33 0.118 1.998 -0.812 1.00 0.00 C ATOM 497 OE1 GLN A 33 0.942 1.123 -1.032 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.301 3.199 -1.318 1.00 0.00 N ATOM 0 H GLN A 33 -4.343 1.484 -1.009 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.830 0.638 -2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.670 0.396 0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.255 -0.357 -0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.739 2.640 0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.732 1.713 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.381 3.937 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.125 3.392 -1.888 1.00 0.00 H new ATOM 507 N CYS A 34 -2.712 -1.756 -2.504 1.00 0.00 N ATOM 508 CA CYS A 34 -3.287 -3.071 -2.798 1.00 0.00 C ATOM 509 C CYS A 34 -2.233 -4.174 -2.653 1.00 0.00 C ATOM 510 O CYS A 34 -1.074 -3.966 -3.020 1.00 0.00 O ATOM 511 CB CYS A 34 -3.849 -3.091 -4.226 1.00 0.00 C ATOM 512 SG CYS A 34 -5.160 -1.908 -4.635 1.00 0.00 S ATOM 0 H CYS A 34 -1.774 -1.633 -2.885 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.090 -3.256 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.021 -2.924 -4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.229 -4.093 -4.422 1.00 0.00 H new ATOM 517 N TYR A 35 -2.643 -5.358 -2.182 1.00 0.00 N ATOM 518 CA TYR A 35 -1.769 -6.514 -1.957 1.00 0.00 C ATOM 519 C TYR A 35 -2.115 -7.655 -2.929 1.00 0.00 C ATOM 520 O TYR A 35 -2.997 -8.484 -2.689 1.00 0.00 O ATOM 521 CB TYR A 35 -1.792 -6.907 -0.470 1.00 0.00 C ATOM 522 CG TYR A 35 -0.864 -8.032 -0.024 1.00 0.00 C ATOM 523 CD1 TYR A 35 0.317 -8.355 -0.729 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.176 -8.738 1.156 1.00 0.00 C ATOM 525 CE1 TYR A 35 1.176 -9.366 -0.256 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.325 -9.755 1.629 1.00 0.00 C ATOM 527 CZ TYR A 35 0.861 -10.062 0.931 1.00 0.00 C ATOM 528 OH TYR A 35 1.672 -11.063 1.367 1.00 0.00 O ATOM 0 H TYR A 35 -3.617 -5.542 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.734 -6.255 -2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.551 -6.020 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.812 -7.191 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.563 -7.823 -1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.076 -8.496 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.076 -9.609 -0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.580 -10.300 2.526 1.00 0.00 H new ATOM 0 HH TYR A 35 2.588 -10.899 1.059 1.00 0.00 H new ATOM 538 N GLY A 36 -1.403 -7.676 -4.063 1.00 0.00 N ATOM 539 CA GLY A 36 -1.681 -8.521 -5.230 1.00 0.00 C ATOM 540 C GLY A 36 -1.592 -10.040 -5.028 1.00 0.00 C ATOM 541 O GLY A 36 -2.012 -10.772 -5.918 1.00 0.00 O ATOM 0 H GLY A 36 -0.585 -7.081 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.683 -8.285 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.986 -8.243 -6.022 1.00 0.00 H new ATOM 545 N SER A 37 -1.095 -10.531 -3.885 1.00 0.00 N ATOM 546 CA SER A 37 -1.173 -11.955 -3.525 1.00 0.00 C ATOM 547 C SER A 37 -2.609 -12.409 -3.228 1.00 0.00 C ATOM 548 O SER A 37 -2.924 -13.583 -3.405 1.00 0.00 O ATOM 549 CB SER A 37 -0.302 -12.233 -2.298 1.00 0.00 C ATOM 550 OG SER A 37 -0.815 -11.522 -1.192 1.00 0.00 O ATOM 0 H SER A 37 -0.628 -9.955 -3.185 1.00 0.00 H new ATOM 0 HA SER A 37 -0.814 -12.518 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.287 -13.301 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.727 -11.932 -2.493 1.00 0.00 H new ATOM 0 HG SER A 37 -0.091 -11.021 -0.761 1.00 0.00 H new ATOM 556 N ILE A 38 -3.473 -11.479 -2.797 1.00 0.00 N ATOM 557 CA ILE A 38 -4.871 -11.708 -2.436 1.00 0.00 C ATOM 558 C ILE A 38 -5.842 -10.791 -3.197 1.00 0.00 C ATOM 559 O ILE A 38 -7.036 -11.073 -3.227 1.00 0.00 O ATOM 560 CB ILE A 38 -5.044 -11.573 -0.906 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.530 -10.221 -0.353 1.00 0.00 C ATOM 562 CG2 ILE A 38 -4.376 -12.763 -0.195 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.933 -9.959 1.102 1.00 0.00 C ATOM 0 H ILE A 38 -3.199 -10.503 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.128 -12.724 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.114 -11.588 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.443 -10.196 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.912 -9.414 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.502 -12.660 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.839 -13.692 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.313 -12.781 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.538 -8.994 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.020 -9.951 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.528 -10.745 1.739 1.00 0.00 H new ATOM 575 N GLY A 39 -5.352 -9.708 -3.818 1.00 0.00 N ATOM 576 CA GLY A 39 -6.150 -8.786 -4.635 1.00 0.00 C ATOM 577 C GLY A 39 -6.876 -7.695 -3.840 1.00 0.00 C ATOM 578 O GLY A 39 -7.580 -6.881 -4.434 1.00 0.00 O ATOM 0 H GLY A 39 -4.368 -9.444 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.496 -8.310 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.888 -9.362 -5.194 1.00 0.00 H new ATOM 582 N TYR A 40 -6.692 -7.649 -2.517 1.00 0.00 N ATOM 583 CA TYR A 40 -7.373 -6.705 -1.629 1.00 0.00 C ATOM 584 C TYR A 40 -6.661 -5.347 -1.641 1.00 0.00 C ATOM 585 O TYR A 40 -5.450 -5.270 -1.864 1.00 0.00 O ATOM 586 CB TYR A 40 -7.380 -7.249 -0.187 1.00 0.00 C ATOM 587 CG TYR A 40 -8.467 -8.258 0.149 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.611 -9.449 -0.593 1.00 0.00 C ATOM 589 CD2 TYR A 40 -9.332 -8.013 1.234 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.608 -10.384 -0.260 1.00 0.00 C ATOM 591 CE2 TYR A 40 -10.326 -8.946 1.579 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.467 -10.135 0.833 1.00 0.00 C ATOM 593 OH TYR A 40 -11.435 -11.030 1.167 1.00 0.00 O ATOM 0 H TYR A 40 -6.055 -8.277 -2.026 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.396 -6.581 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.412 -7.711 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.474 -6.405 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.950 -9.645 -1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.231 -7.102 1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.716 -11.290 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.982 -8.752 2.415 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.932 -10.699 1.944 1.00 0.00 H new ATOM 603 N CYS A 41 -7.416 -4.287 -1.335 1.00 0.00 N ATOM 604 CA CYS A 41 -6.934 -2.911 -1.251 1.00 0.00 C ATOM 605 C CYS A 41 -7.445 -2.186 -0.003 1.00 0.00 C ATOM 606 O CYS A 41 -8.396 -2.617 0.652 1.00 0.00 O ATOM 607 CB CYS A 41 -7.344 -2.121 -2.506 1.00 0.00 C ATOM 608 SG CYS A 41 -6.905 -2.827 -4.116 1.00 0.00 S ATOM 0 H CYS A 41 -8.412 -4.370 -1.133 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.847 -2.963 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.425 -1.986 -2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.898 -1.129 -2.440 1.00 0.00 H new ATOM 613 N TRP A 42 -6.813 -1.053 0.294 1.00 0.00 N ATOM 614 CA TRP A 42 -7.233 -0.067 1.288 1.00 0.00 C ATOM 615 C TRP A 42 -6.694 1.315 0.895 1.00 0.00 C ATOM 616 O TRP A 42 -5.773 1.430 0.083 1.00 0.00 O ATOM 617 CB TRP A 42 -6.729 -0.481 2.678 1.00 0.00 C ATOM 618 CG TRP A 42 -5.250 -0.677 2.797 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.361 0.273 3.162 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.469 -1.880 2.518 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.090 -0.271 3.181 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.099 -1.585 2.772 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.772 -3.187 2.069 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.081 -2.531 2.599 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.756 -4.144 1.878 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.413 -3.819 2.148 1.00 0.00 C ATOM 0 H TRP A 42 -5.949 -0.783 -0.176 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.321 -0.018 1.323 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.036 0.278 3.397 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.225 -1.409 2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.605 1.297 3.402 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.252 0.237 3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.799 -3.455 1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.054 -2.273 2.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.009 -5.132 1.523 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.639 -4.559 2.008 1.00 0.00 H new ATOM 637 N CYS A 43 -7.229 2.368 1.509 1.00 0.00 N ATOM 638 CA CYS A 43 -6.664 3.714 1.396 1.00 0.00 C ATOM 639 C CYS A 43 -5.671 3.953 2.536 1.00 0.00 C ATOM 640 O CYS A 43 -5.846 3.388 3.615 1.00 0.00 O ATOM 641 CB CYS A 43 -7.776 4.768 1.440 1.00 0.00 C ATOM 642 SG CYS A 43 -9.015 4.637 0.129 1.00 0.00 S ATOM 0 H CYS A 43 -8.062 2.315 2.096 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.145 3.799 0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.281 4.700 2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.320 5.757 1.389 1.00 0.00 H new ATOM 647 N VAL A 44 -4.671 4.818 2.330 1.00 0.00 N ATOM 648 CA VAL A 44 -3.669 5.184 3.350 1.00 0.00 C ATOM 649 C VAL A 44 -3.516 6.695 3.536 1.00 0.00 C ATOM 650 O VAL A 44 -3.850 7.491 2.654 1.00 0.00 O ATOM 651 CB VAL A 44 -2.280 4.568 3.069 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.306 3.041 3.161 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.697 4.996 1.720 1.00 0.00 C ATOM 0 H VAL A 44 -4.529 5.293 1.438 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.063 4.764 4.275 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.627 4.958 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.310 2.647 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.616 2.742 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.010 2.644 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.721 4.531 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.366 4.682 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.588 6.080 1.698 1.00 0.00 H new ATOM 663 N PHE A 45 -2.969 7.063 4.696 1.00 0.00 N ATOM 664 CA PHE A 45 -2.492 8.394 5.061 1.00 0.00 C ATOM 665 C PHE A 45 -0.980 8.533 4.741 1.00 0.00 C ATOM 666 O PHE A 45 -0.311 7.513 4.552 1.00 0.00 O ATOM 667 CB PHE A 45 -2.782 8.603 6.557 1.00 0.00 C ATOM 668 CG PHE A 45 -4.260 8.606 6.914 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.073 9.689 6.525 1.00 0.00 C ATOM 670 CD2 PHE A 45 -4.827 7.543 7.643 1.00 0.00 C ATOM 671 CE1 PHE A 45 -6.437 9.712 6.871 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.189 7.564 7.991 1.00 0.00 C ATOM 673 CZ PHE A 45 -6.993 8.653 7.610 1.00 0.00 C ATOM 0 H PHE A 45 -2.840 6.393 5.454 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.006 9.162 4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.285 7.816 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.342 9.550 6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.648 10.505 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.211 6.706 7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.057 10.543 6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.617 6.745 8.550 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.037 8.676 7.885 1.00 0.00 H new ATOM 683 N PRO A 46 -0.400 9.755 4.708 1.00 0.00 N ATOM 684 CA PRO A 46 0.986 10.017 4.273 1.00 0.00 C ATOM 685 C PRO A 46 2.136 9.298 5.005 1.00 0.00 C ATOM 686 O PRO A 46 3.281 9.415 4.572 1.00 0.00 O ATOM 687 CB PRO A 46 1.170 11.536 4.383 1.00 0.00 C ATOM 688 CG PRO A 46 -0.239 12.073 4.172 1.00 0.00 C ATOM 689 CD PRO A 46 -1.093 11.027 4.882 1.00 0.00 C ATOM 0 HA PRO A 46 1.073 9.604 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.569 11.824 5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.862 11.913 3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.366 13.065 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.490 12.153 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.206 11.268 5.939 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.095 10.987 4.455 1.00 0.00 H new ATOM 697 N ASN A 47 1.876 8.549 6.085 1.00 0.00 N ATOM 698 CA ASN A 47 2.842 7.692 6.765 1.00 0.00 C ATOM 699 C ASN A 47 2.665 6.188 6.462 1.00 0.00 C ATOM 700 O ASN A 47 3.502 5.385 6.884 1.00 0.00 O ATOM 701 CB ASN A 47 2.818 7.996 8.273 1.00 0.00 C ATOM 702 CG ASN A 47 1.620 7.394 8.996 1.00 0.00 C ATOM 703 OD1 ASN A 47 0.587 7.085 8.411 1.00 0.00 O ATOM 704 ND2 ASN A 47 1.732 7.169 10.290 1.00 0.00 N ATOM 0 H ASN A 47 0.954 8.526 6.520 1.00 0.00 H new ATOM 0 HA ASN A 47 3.830 7.928 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.734 7.617 8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.814 9.076 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.961 6.739 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.589 7.425 10.780 1.00 0.00 H new ATOM 711 N GLY A 48 1.612 5.804 5.724 1.00 0.00 N ATOM 712 CA GLY A 48 1.260 4.421 5.386 1.00 0.00 C ATOM 713 C GLY A 48 0.141 3.818 6.243 1.00 0.00 C ATOM 714 O GLY A 48 -0.215 2.661 6.034 1.00 0.00 O ATOM 0 H GLY A 48 0.956 6.479 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.959 4.382 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.150 3.799 5.484 1.00 0.00 H new ATOM 718 N THR A 49 -0.423 4.573 7.196 1.00 0.00 N ATOM 719 CA THR A 49 -1.526 4.116 8.059 1.00 0.00 C ATOM 720 C THR A 49 -2.783 3.990 7.210 1.00 0.00 C ATOM 721 O THR A 49 -3.125 4.942 6.511 1.00 0.00 O ATOM 722 CB THR A 49 -1.815 5.096 9.210 1.00 0.00 C ATOM 723 OG1 THR A 49 -0.631 5.425 9.888 1.00 0.00 O ATOM 724 CG2 THR A 49 -2.784 4.518 10.243 1.00 0.00 C ATOM 0 H THR A 49 -0.125 5.528 7.393 1.00 0.00 H new ATOM 0 HA THR A 49 -1.233 3.161 8.496 1.00 0.00 H new ATOM 0 HB THR A 49 -2.263 5.975 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.017 5.795 9.253 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.953 5.250 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.732 4.280 9.760 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.359 3.612 10.674 1.00 0.00 H new ATOM 732 N GLU A 50 -3.467 2.845 7.245 1.00 0.00 N ATOM 733 CA GLU A 50 -4.693 2.678 6.464 1.00 0.00 C ATOM 734 C GLU A 50 -5.888 3.478 7.011 1.00 0.00 C ATOM 735 O GLU A 50 -5.911 3.884 8.172 1.00 0.00 O ATOM 736 CB GLU A 50 -5.052 1.188 6.314 1.00 0.00 C ATOM 737 CG GLU A 50 -5.629 0.539 7.578 1.00 0.00 C ATOM 738 CD GLU A 50 -6.047 -0.903 7.300 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.159 -1.781 7.359 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.253 -1.099 7.029 1.00 0.00 O ATOM 0 H GLU A 50 -3.198 2.031 7.797 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.479 3.093 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.775 1.082 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.158 0.641 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.886 0.561 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.488 1.111 7.927 1.00 0.00 H new ATOM 747 N VAL A 51 -6.914 3.642 6.170 1.00 0.00 N ATOM 748 CA VAL A 51 -8.244 4.133 6.535 1.00 0.00 C ATOM 749 C VAL A 51 -9.048 2.863 6.889 1.00 0.00 C ATOM 750 O VAL A 51 -9.508 2.176 5.965 1.00 0.00 O ATOM 751 CB VAL A 51 -8.879 4.940 5.382 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.251 5.486 5.801 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.002 6.125 4.952 1.00 0.00 C ATOM 0 H VAL A 51 -6.836 3.427 5.176 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.218 4.828 7.374 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.980 4.253 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.684 6.052 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.910 4.656 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.134 6.138 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.490 6.662 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.859 6.798 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.033 5.757 4.614 1.00 0.00 H new ATOM 763 N PRO A 52 -9.235 2.521 8.186 1.00 0.00 N ATOM 764 CA PRO A 52 -9.724 1.218 8.675 1.00 0.00 C ATOM 765 C PRO A 52 -11.191 0.848 8.403 1.00 0.00 C ATOM 766 O PRO A 52 -11.776 0.001 9.076 1.00 0.00 O ATOM 767 CB PRO A 52 -9.370 1.205 10.169 1.00 0.00 C ATOM 768 CG PRO A 52 -9.530 2.670 10.555 1.00 0.00 C ATOM 769 CD PRO A 52 -8.960 3.383 9.333 1.00 0.00 C ATOM 0 HA PRO A 52 -9.237 0.431 8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.038 0.559 10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.355 0.847 10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.573 2.934 10.732 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.980 2.915 11.464 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.423 4.361 9.203 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.889 3.550 9.445 1.00 0.00 H new ATOM 777 N ASN A 53 -11.792 1.461 7.392 1.00 0.00 N ATOM 778 CA ASN A 53 -13.085 1.113 6.814 1.00 0.00 C ATOM 779 C ASN A 53 -13.006 0.887 5.292 1.00 0.00 C ATOM 780 O ASN A 53 -13.993 0.485 4.680 1.00 0.00 O ATOM 781 CB ASN A 53 -14.143 2.173 7.190 1.00 0.00 C ATOM 782 CG ASN A 53 -14.641 2.185 8.636 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.521 2.957 8.974 1.00 0.00 O ATOM 784 ND2 ASN A 53 -14.142 1.364 9.538 1.00 0.00 N ATOM 0 H ASN A 53 -11.366 2.262 6.925 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.395 0.159 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.729 3.156 6.968 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.005 2.035 6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.493 1.384 10.495 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.405 0.709 9.279 1.00 0.00 H new ATOM 791 N THR A 54 -11.831 1.091 4.681 1.00 0.00 N ATOM 792 CA THR A 54 -11.594 0.885 3.246 1.00 0.00 C ATOM 793 C THR A 54 -11.067 -0.507 2.917 1.00 0.00 C ATOM 794 O THR A 54 -11.037 -0.854 1.744 1.00 0.00 O ATOM 795 CB THR A 54 -10.607 1.919 2.679 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.359 1.867 3.350 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.189 3.329 2.809 1.00 0.00 C ATOM 0 H THR A 54 -11.001 1.411 5.181 1.00 0.00 H new ATOM 0 HA THR A 54 -12.573 1.004 2.781 1.00 0.00 H new ATOM 0 HB THR A 54 -10.446 1.679 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.449 2.266 4.240 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.482 4.053 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.126 3.388 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.374 3.551 3.860 1.00 0.00 H new ATOM 805 N ARG A 55 -10.663 -1.305 3.918 1.00 0.00 N ATOM 806 CA ARG A 55 -10.010 -2.607 3.723 1.00 0.00 C ATOM 807 C ARG A 55 -10.958 -3.573 2.997 1.00 0.00 C ATOM 808 O ARG A 55 -11.818 -4.217 3.617 1.00 0.00 O ATOM 809 CB ARG A 55 -9.495 -3.141 5.072 1.00 0.00 C ATOM 810 CG ARG A 55 -8.324 -4.137 4.951 1.00 0.00 C ATOM 811 CD ARG A 55 -8.580 -5.379 4.085 1.00 0.00 C ATOM 812 NE ARG A 55 -9.817 -6.078 4.474 1.00 0.00 N ATOM 813 CZ ARG A 55 -9.971 -7.357 4.788 1.00 0.00 C ATOM 814 NH1 ARG A 55 -8.969 -8.203 4.766 1.00 0.00 N ATOM 815 NH2 ARG A 55 -11.155 -7.808 5.129 1.00 0.00 N ATOM 0 H ARG A 55 -10.783 -1.059 4.901 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.137 -2.499 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.179 -2.298 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.318 -3.627 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.463 -3.607 4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.050 -4.468 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.645 -5.084 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.735 -6.062 4.172 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.661 -5.506 4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.037 -7.883 4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.122 -9.181 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.955 -7.175 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.276 -8.791 5.371 1.00 0.00 H new ATOM 829 N SER A 56 -10.804 -3.672 1.676 1.00 0.00 N ATOM 830 CA SER A 56 -11.755 -4.344 0.801 1.00 0.00 C ATOM 831 C SER A 56 -11.119 -5.272 -0.225 1.00 0.00 C ATOM 832 O SER A 56 -9.926 -5.209 -0.509 1.00 0.00 O ATOM 833 CB SER A 56 -12.669 -3.298 0.146 1.00 0.00 C ATOM 834 OG SER A 56 -13.788 -3.909 -0.468 1.00 0.00 O ATOM 0 H SER A 56 -10.003 -3.281 1.181 1.00 0.00 H new ATOM 0 HA SER A 56 -12.350 -5.011 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.008 -2.585 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.106 -2.734 -0.597 1.00 0.00 H new ATOM 0 HG SER A 56 -14.354 -3.221 -0.876 1.00 0.00 H new ATOM 840 N ARG A 57 -11.966 -6.143 -0.777 1.00 0.00 N ATOM 841 CA ARG A 57 -11.669 -7.292 -1.631 1.00 0.00 C ATOM 842 C ARG A 57 -11.145 -6.915 -3.029 1.00 0.00 C ATOM 843 O ARG A 57 -10.837 -7.798 -3.822 1.00 0.00 O ATOM 844 CB ARG A 57 -12.936 -8.166 -1.731 1.00 0.00 C ATOM 845 CG ARG A 57 -13.637 -8.499 -0.392 1.00 0.00 C ATOM 846 CD ARG A 57 -14.685 -7.464 0.068 1.00 0.00 C ATOM 847 NE ARG A 57 -14.260 -6.660 1.234 1.00 0.00 N ATOM 848 CZ ARG A 57 -14.884 -5.581 1.697 1.00 0.00 C ATOM 849 NH1 ARG A 57 -15.944 -5.108 1.086 1.00 0.00 N ATOM 850 NH2 ARG A 57 -14.449 -4.899 2.735 1.00 0.00 N ATOM 0 H ARG A 57 -12.970 -6.052 -0.622 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.853 -7.846 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.653 -7.660 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.670 -9.102 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.123 -9.470 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.878 -8.596 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.908 -6.793 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.611 -7.984 0.315 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.417 -6.958 1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.297 -5.569 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.415 -4.280 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.600 -5.193 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.960 -4.077 3.056 1.00 0.00 H new ATOM 864 N GLY A 58 -11.056 -5.615 -3.324 1.00 0.00 N ATOM 865 CA GLY A 58 -10.598 -5.051 -4.588 1.00 0.00 C ATOM 866 C GLY A 58 -10.545 -3.524 -4.569 1.00 0.00 C ATOM 867 O GLY A 58 -10.666 -2.886 -3.520 1.00 0.00 O ATOM 0 H GLY A 58 -11.316 -4.894 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.607 -5.442 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.262 -5.377 -5.388 1.00 0.00 H new ATOM 871 N HIS A 59 -10.313 -2.969 -5.761 1.00 0.00 N ATOM 872 CA HIS A 59 -10.012 -1.564 -6.021 1.00 0.00 C ATOM 873 C HIS A 59 -11.073 -0.579 -5.506 1.00 0.00 C ATOM 874 O HIS A 59 -12.265 -0.881 -5.453 1.00 0.00 O ATOM 875 CB HIS A 59 -9.840 -1.403 -7.539 1.00 0.00 C ATOM 876 CG HIS A 59 -9.176 -0.112 -7.935 1.00 0.00 C ATOM 877 ND1 HIS A 59 -9.795 1.069 -8.289 1.00 0.00 N ATOM 878 CD2 HIS A 59 -7.825 0.094 -7.969 1.00 0.00 C ATOM 879 CE1 HIS A 59 -8.826 1.967 -8.539 1.00 0.00 C ATOM 880 NE2 HIS A 59 -7.614 1.415 -8.373 1.00 0.00 N ATOM 0 H HIS A 59 -10.332 -3.522 -6.618 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.104 -1.314 -5.472 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.251 -2.237 -7.920 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.819 -1.460 -8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.061 -0.631 -7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.999 2.992 -8.833 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.713 1.872 -8.514 1.00 0.00 H new ATOM 888 N HIS A 60 -10.625 0.638 -5.193 1.00 0.00 N ATOM 889 CA HIS A 60 -11.449 1.804 -4.889 1.00 0.00 C ATOM 890 C HIS A 60 -10.652 3.087 -5.183 1.00 0.00 C ATOM 891 O HIS A 60 -9.458 3.031 -5.469 1.00 0.00 O ATOM 892 CB HIS A 60 -11.996 1.721 -3.450 1.00 0.00 C ATOM 893 CG HIS A 60 -11.100 1.062 -2.428 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.181 -0.250 -2.017 1.00 0.00 N ATOM 895 CD2 HIS A 60 -10.095 1.651 -1.715 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.276 -0.416 -1.038 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.580 0.708 -0.832 1.00 0.00 N ATOM 0 H HIS A 60 -9.627 0.845 -5.143 1.00 0.00 H new ATOM 0 HA HIS A 60 -12.328 1.827 -5.534 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.216 2.733 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.942 1.180 -3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.810 -0.962 -2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.759 2.672 -1.819 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.130 -1.335 -0.490 1.00 0.00 H new ATOM 905 N ASN A 61 -11.301 4.253 -5.124 1.00 0.00 N ATOM 906 CA ASN A 61 -10.767 5.522 -5.592 1.00 0.00 C ATOM 907 C ASN A 61 -10.607 6.510 -4.427 1.00 0.00 C ATOM 908 O ASN A 61 -11.424 7.402 -4.219 1.00 0.00 O ATOM 909 CB ASN A 61 -11.622 6.034 -6.767 1.00 0.00 C ATOM 910 CG ASN A 61 -11.448 5.194 -8.033 1.00 0.00 C ATOM 911 OD1 ASN A 61 -11.642 3.987 -8.060 1.00 0.00 O ATOM 912 ND2 ASN A 61 -11.075 5.812 -9.136 1.00 0.00 N ATOM 0 H ASN A 61 -12.241 4.336 -4.736 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.758 5.395 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.672 6.031 -6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.354 7.068 -6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.951 5.284 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.910 6.819 -9.126 1.00 0.00 H new ATOM 919 N CYS A 62 -9.536 6.306 -3.658 1.00 0.00 N ATOM 920 CA CYS A 62 -9.153 7.089 -2.482 1.00 0.00 C ATOM 921 C CYS A 62 -8.981 8.585 -2.785 1.00 0.00 C ATOM 922 O CYS A 62 -8.105 8.967 -3.561 1.00 0.00 O ATOM 923 CB CYS A 62 -7.842 6.524 -1.929 1.00 0.00 C ATOM 924 SG CYS A 62 -7.905 4.762 -1.560 1.00 0.00 S ATOM 0 H CYS A 62 -8.878 5.550 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.959 7.009 -1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.046 6.706 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.578 7.066 -1.021 1.00 0.00 H new