USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 385 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 58 ASN : amide:sc= 0.267 X(o=0.27,f=-0.033) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 CYS SG : rot 150:sc= -0.0817 USER MOD Set 2.2: A 25 CYS SG : rot -129:sc= 1.96 USER MOD Set 2.3: A 38 CYS SG : rot -8:sc= -0.198 USER MOD Set 2.4: A 39 CYS SG : rot -5:sc= 0.985 USER MOD Set 2.5: A 42 CYS SG : rot -83:sc= 1.03 USER MOD Set 2.6: A 51 CYS SG : rot 156:sc= 1.81 USER MOD Set 3.1: A 40 ASN : amide:sc= -2.32! K(o=-2.1!,f=-0.56) USER MOD Set 3.2: A 48 THR OG1 : rot 93:sc= 0.221 USER MOD Set 4.1: A 27 ASN : amide:sc= -0.464 K(o=0.59,f=-1.4) USER MOD Set 4.2: A 34 CYS SG : rot 73:sc= -0.0119 USER MOD Set 4.3: A 60 CYS SG : rot 170:sc= 1.06 USER MOD Set 5.1: A 15 TYR OH : rot 160:sc= 1.24 USER MOD Set 5.2: A 24 TYR OH : rot 180:sc= 0.0463 USER MOD Single : A 6 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.8) USER MOD Single : A 10 ASN : amide:sc= 0.445 K(o=0.45,f=-0.28) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.763 K(o=-0.76,f=-13!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.723 K(o=0.72,f=-0.15) USER MOD Single : A 26 THR OG1 : rot -80:sc= 0.237 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.133 K(o=0.13,f=-1.3) USER MOD Single : A 32 SER OG : rot 180:sc= 0.105 USER MOD Single : A 33 SER OG : rot -41:sc= 0.289 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 62 ASN : amide:sc= -0.053 X(o=-0.053,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -8.527 0.485 8.134 1.00 0.00 N ATOM 16 CA ASP A 2 -8.916 1.115 6.860 1.00 0.00 C ATOM 17 C ASP A 2 -7.765 2.017 6.374 1.00 0.00 C ATOM 18 O ASP A 2 -7.097 2.614 7.215 1.00 0.00 O ATOM 19 CB ASP A 2 -10.231 1.903 6.979 1.00 0.00 C ATOM 20 CG ASP A 2 -10.990 1.950 5.663 1.00 0.00 C ATOM 21 OD1 ASP A 2 -11.747 0.982 5.389 1.00 0.00 O ATOM 22 OD2 ASP A 2 -10.776 2.894 4.879 1.00 0.00 O ATOM 0 HA ASP A 2 -9.098 0.330 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.859 1.446 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.016 2.919 7.309 1.00 0.00 H new ATOM 27 N PRO A 3 -7.470 2.137 5.065 1.00 0.00 N ATOM 28 CA PRO A 3 -6.434 3.037 4.559 1.00 0.00 C ATOM 29 C PRO A 3 -6.816 4.504 4.732 1.00 0.00 C ATOM 30 O PRO A 3 -5.956 5.374 4.633 1.00 0.00 O ATOM 31 CB PRO A 3 -6.278 2.700 3.072 1.00 0.00 C ATOM 32 CG PRO A 3 -7.634 2.134 2.684 1.00 0.00 C ATOM 33 CD PRO A 3 -8.065 1.423 3.957 1.00 0.00 C ATOM 0 HA PRO A 3 -5.505 2.900 5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.031 3.585 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.480 1.976 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.335 2.918 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.562 1.448 1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.151 1.413 4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.737 0.384 3.948 1.00 0.00 H new ATOM 41 N GLU A 4 -8.090 4.774 4.995 1.00 0.00 N ATOM 42 CA GLU A 4 -8.617 6.117 5.125 1.00 0.00 C ATOM 43 C GLU A 4 -7.862 6.937 6.173 1.00 0.00 C ATOM 44 O GLU A 4 -7.447 8.060 5.886 1.00 0.00 O ATOM 45 CB GLU A 4 -10.088 6.022 5.502 1.00 0.00 C ATOM 46 CG GLU A 4 -10.774 7.385 5.358 1.00 0.00 C ATOM 47 CD GLU A 4 -12.291 7.238 5.347 1.00 0.00 C ATOM 48 OE1 GLU A 4 -12.855 6.886 4.281 1.00 0.00 O ATOM 49 OE2 GLU A 4 -12.921 7.513 6.397 1.00 0.00 O ATOM 0 H GLU A 4 -8.794 4.048 5.125 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.493 6.630 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.585 5.290 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.183 5.668 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.475 8.035 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.445 7.865 4.436 1.00 0.00 H new ATOM 56 N GLU A 5 -7.674 6.415 7.387 1.00 0.00 N ATOM 57 CA GLU A 5 -7.246 7.250 8.508 1.00 0.00 C ATOM 58 C GLU A 5 -5.724 7.235 8.724 1.00 0.00 C ATOM 59 O GLU A 5 -5.229 7.782 9.713 1.00 0.00 O ATOM 60 CB GLU A 5 -8.114 6.994 9.753 1.00 0.00 C ATOM 61 CG GLU A 5 -7.707 5.866 10.698 1.00 0.00 C ATOM 62 CD GLU A 5 -8.457 5.939 12.029 1.00 0.00 C ATOM 63 OE1 GLU A 5 -8.232 6.908 12.791 1.00 0.00 O ATOM 64 OE2 GLU A 5 -9.210 5.002 12.389 1.00 0.00 O ATOM 0 H GLU A 5 -7.810 5.430 7.616 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.432 8.293 8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.147 7.917 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.131 6.794 9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.904 4.905 10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.634 5.916 10.883 1.00 0.00 H new ATOM 71 N HIS A 6 -4.969 6.666 7.785 1.00 0.00 N ATOM 72 CA HIS A 6 -3.547 6.394 7.883 1.00 0.00 C ATOM 73 C HIS A 6 -2.946 6.787 6.539 1.00 0.00 C ATOM 74 O HIS A 6 -3.298 6.187 5.525 1.00 0.00 O ATOM 75 CB HIS A 6 -3.365 4.896 8.158 1.00 0.00 C ATOM 76 CG HIS A 6 -4.018 4.409 9.430 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.411 4.332 10.665 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.327 4.019 9.580 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.322 3.863 11.533 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.480 3.603 10.910 1.00 0.00 N ATOM 0 H HIS A 6 -5.359 6.369 6.891 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.060 6.948 8.686 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.771 4.333 7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.299 4.675 8.204 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.092 4.031 8.818 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.146 3.716 12.588 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.312 3.183 11.324 1.00 0.00 H new ATOM 88 N PHE A 7 -2.104 7.814 6.478 1.00 0.00 N ATOM 89 CA PHE A 7 -1.623 8.339 5.212 1.00 0.00 C ATOM 90 C PHE A 7 -0.351 9.150 5.417 1.00 0.00 C ATOM 91 O PHE A 7 -0.397 10.382 5.474 1.00 0.00 O ATOM 92 CB PHE A 7 -2.726 9.184 4.561 1.00 0.00 C ATOM 93 CG PHE A 7 -2.617 9.354 3.061 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.510 8.893 2.308 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.763 9.816 2.396 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.608 8.799 0.913 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.858 9.712 1.005 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.811 9.125 0.278 1.00 0.00 C ATOM 0 H PHE A 7 -1.741 8.299 7.298 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.377 7.512 4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.690 8.729 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.723 10.172 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.593 8.615 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.574 10.253 2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.758 8.476 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.734 10.082 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.935 8.924 -0.776 1.00 0.00 H new ATOM 108 N ASP A 8 0.789 8.464 5.487 1.00 0.00 N ATOM 109 CA ASP A 8 2.069 9.112 5.741 1.00 0.00 C ATOM 110 C ASP A 8 3.058 8.753 4.627 1.00 0.00 C ATOM 111 O ASP A 8 3.846 7.817 4.778 1.00 0.00 O ATOM 112 CB ASP A 8 2.566 8.804 7.164 1.00 0.00 C ATOM 113 CG ASP A 8 3.389 9.990 7.698 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.996 10.748 6.904 1.00 0.00 O ATOM 115 OD2 ASP A 8 3.316 10.271 8.917 1.00 0.00 O ATOM 0 H ASP A 8 0.849 7.452 5.370 1.00 0.00 H new ATOM 0 HA ASP A 8 1.958 10.196 5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.718 8.613 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.175 7.900 7.158 1.00 0.00 H new ATOM 120 N PRO A 9 2.955 9.400 3.451 1.00 0.00 N ATOM 121 CA PRO A 9 3.834 9.129 2.327 1.00 0.00 C ATOM 122 C PRO A 9 5.238 9.671 2.544 1.00 0.00 C ATOM 123 O PRO A 9 5.411 10.805 3.003 1.00 0.00 O ATOM 124 CB PRO A 9 3.182 9.768 1.103 1.00 0.00 C ATOM 125 CG PRO A 9 2.179 10.781 1.651 1.00 0.00 C ATOM 126 CD PRO A 9 1.906 10.337 3.082 1.00 0.00 C ATOM 0 HA PRO A 9 3.956 8.053 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.926 10.255 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.685 9.018 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.585 11.792 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.264 10.789 1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.901 11.194 3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.926 9.866 3.158 1.00 0.00 H new ATOM 134 N ASN A 10 6.233 8.896 2.118 1.00 0.00 N ATOM 135 CA ASN A 10 7.576 9.401 1.877 1.00 0.00 C ATOM 136 C ASN A 10 7.661 9.874 0.428 1.00 0.00 C ATOM 137 O ASN A 10 6.747 9.671 -0.376 1.00 0.00 O ATOM 138 CB ASN A 10 8.646 8.324 2.099 1.00 0.00 C ATOM 139 CG ASN A 10 8.614 7.678 3.473 1.00 0.00 C ATOM 140 OD1 ASN A 10 8.336 8.315 4.481 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.950 6.402 3.530 1.00 0.00 N ATOM 0 H ASN A 10 6.127 7.899 1.931 1.00 0.00 H new ATOM 0 HA ASN A 10 7.763 10.213 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.524 7.548 1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.629 8.769 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.983 5.923 4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.177 5.896 2.674 1.00 0.00 H new ATOM 148 N THR A 11 8.819 10.410 0.053 1.00 0.00 N ATOM 149 CA THR A 11 9.103 10.957 -1.270 1.00 0.00 C ATOM 150 C THR A 11 8.860 10.004 -2.440 1.00 0.00 C ATOM 151 O THR A 11 8.736 10.486 -3.568 1.00 0.00 O ATOM 152 CB THR A 11 10.543 11.471 -1.304 1.00 0.00 C ATOM 153 OG1 THR A 11 11.471 10.549 -0.748 1.00 0.00 O ATOM 154 CG2 THR A 11 10.647 12.770 -0.518 1.00 0.00 C ATOM 0 H THR A 11 9.616 10.478 0.687 1.00 0.00 H new ATOM 0 HA THR A 11 8.386 11.765 -1.415 1.00 0.00 H new ATOM 0 HB THR A 11 10.792 11.619 -2.355 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.375 10.925 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.675 13.131 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.988 13.517 -0.961 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.352 12.594 0.517 1.00 0.00 H new ATOM 162 N ASN A 12 8.826 8.684 -2.223 1.00 0.00 N ATOM 163 CA ASN A 12 8.648 7.732 -3.317 1.00 0.00 C ATOM 164 C ASN A 12 7.177 7.540 -3.689 1.00 0.00 C ATOM 165 O ASN A 12 6.897 6.995 -4.761 1.00 0.00 O ATOM 166 CB ASN A 12 9.316 6.383 -3.007 1.00 0.00 C ATOM 167 CG ASN A 12 10.151 5.940 -4.201 1.00 0.00 C ATOM 168 OD1 ASN A 12 9.697 5.220 -5.091 1.00 0.00 O ATOM 169 ND2 ASN A 12 11.376 6.420 -4.298 1.00 0.00 N ATOM 0 H ASN A 12 8.919 8.255 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 12 9.146 8.164 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.947 6.473 -2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.557 5.633 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.949 6.195 -5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.750 7.016 -3.560 1.00 0.00 H new ATOM 176 N CYS A 13 6.240 7.984 -2.844 1.00 0.00 N ATOM 177 CA CYS A 13 4.834 8.048 -3.193 1.00 0.00 C ATOM 178 C CYS A 13 4.603 9.179 -4.208 1.00 0.00 C ATOM 179 O CYS A 13 5.459 10.048 -4.421 1.00 0.00 O ATOM 180 CB CYS A 13 4.029 8.272 -1.905 1.00 0.00 C ATOM 181 SG CYS A 13 2.225 8.125 -2.051 1.00 0.00 S ATOM 0 H CYS A 13 6.445 8.308 -1.899 1.00 0.00 H new ATOM 0 HA CYS A 13 4.507 7.118 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.372 7.556 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.262 9.266 -1.524 1.00 0.00 H new ATOM 0 HG CYS A 13 1.731 7.705 -0.924 1.00 0.00 H new ATOM 186 N ASP A 14 3.410 9.188 -4.803 1.00 0.00 N ATOM 187 CA ASP A 14 2.835 10.349 -5.477 1.00 0.00 C ATOM 188 C ASP A 14 1.343 10.490 -5.151 1.00 0.00 C ATOM 189 O ASP A 14 0.828 11.600 -5.043 1.00 0.00 O ATOM 190 CB ASP A 14 3.058 10.272 -6.998 1.00 0.00 C ATOM 191 CG ASP A 14 3.205 11.672 -7.592 1.00 0.00 C ATOM 192 OD1 ASP A 14 2.224 12.443 -7.667 1.00 0.00 O ATOM 193 OD2 ASP A 14 4.343 12.085 -7.899 1.00 0.00 O ATOM 0 H ASP A 14 2.804 8.368 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 14 3.347 11.237 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.952 9.685 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.220 9.758 -7.468 1.00 0.00 H new ATOM 198 N TYR A 15 0.630 9.373 -4.982 1.00 0.00 N ATOM 199 CA TYR A 15 -0.826 9.351 -4.923 1.00 0.00 C ATOM 200 C TYR A 15 -1.337 9.710 -3.533 1.00 0.00 C ATOM 201 O TYR A 15 -1.112 8.967 -2.582 1.00 0.00 O ATOM 202 CB TYR A 15 -1.330 7.958 -5.300 1.00 0.00 C ATOM 203 CG TYR A 15 -1.147 7.529 -6.742 1.00 0.00 C ATOM 204 CD1 TYR A 15 -0.461 8.308 -7.699 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.692 6.294 -7.118 1.00 0.00 C ATOM 206 CE1 TYR A 15 -0.312 7.841 -9.015 1.00 0.00 C ATOM 207 CE2 TYR A 15 -1.611 5.858 -8.447 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.930 6.636 -9.411 1.00 0.00 C ATOM 209 OH TYR A 15 -0.860 6.241 -10.709 1.00 0.00 O ATOM 0 H TYR A 15 1.056 8.452 -4.882 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.202 10.094 -5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.826 7.231 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.393 7.906 -5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.049 9.266 -7.418 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.178 5.674 -6.379 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.276 8.405 -9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.070 4.924 -8.736 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.042 5.280 -10.769 1.00 0.00 H new ATOM 219 N THR A 16 -2.097 10.797 -3.428 1.00 0.00 N ATOM 220 CA THR A 16 -2.557 11.343 -2.153 1.00 0.00 C ATOM 221 C THR A 16 -4.069 11.144 -1.918 1.00 0.00 C ATOM 222 O THR A 16 -4.695 11.919 -1.201 1.00 0.00 O ATOM 223 CB THR A 16 -2.037 12.779 -2.003 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.220 13.507 -3.208 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.538 12.735 -1.662 1.00 0.00 C ATOM 0 H THR A 16 -2.415 11.331 -4.237 1.00 0.00 H new ATOM 0 HA THR A 16 -2.126 10.771 -1.331 1.00 0.00 H new ATOM 0 HB THR A 16 -2.593 13.275 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.884 14.420 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.160 13.751 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.393 12.192 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.003 12.230 -2.463 1.00 0.00 H new ATOM 233 N ASN A 17 -4.676 10.097 -2.501 1.00 0.00 N ATOM 234 CA ASN A 17 -6.094 9.757 -2.299 1.00 0.00 C ATOM 235 C ASN A 17 -6.342 8.842 -1.093 1.00 0.00 C ATOM 236 O ASN A 17 -6.944 9.289 -0.126 1.00 0.00 O ATOM 237 CB ASN A 17 -6.728 9.125 -3.550 1.00 0.00 C ATOM 238 CG ASN A 17 -5.735 8.266 -4.300 1.00 0.00 C ATOM 239 OD1 ASN A 17 -5.417 7.162 -3.881 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.130 8.813 -5.336 1.00 0.00 N ATOM 0 H ASN A 17 -4.192 9.457 -3.131 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.574 10.714 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.587 8.520 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.100 9.911 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.377 8.314 -5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.415 9.735 -5.665 1.00 0.00 H new ATOM 247 N SER A 18 -5.978 7.567 -1.207 1.00 0.00 N ATOM 248 CA SER A 18 -6.242 6.398 -0.373 1.00 0.00 C ATOM 249 C SER A 18 -6.395 5.245 -1.363 1.00 0.00 C ATOM 250 O SER A 18 -5.566 4.343 -1.365 1.00 0.00 O ATOM 251 CB SER A 18 -7.438 6.541 0.593 1.00 0.00 C ATOM 252 OG SER A 18 -7.722 5.329 1.270 1.00 0.00 O ATOM 0 H SER A 18 -5.406 7.292 -2.006 1.00 0.00 H new ATOM 0 HA SER A 18 -5.423 6.235 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.223 7.322 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.319 6.859 0.035 1.00 0.00 H new ATOM 0 HG SER A 18 -8.483 5.462 1.873 1.00 0.00 H new ATOM 258 N GLN A 19 -7.415 5.273 -2.234 1.00 0.00 N ATOM 259 CA GLN A 19 -7.818 4.062 -2.952 1.00 0.00 C ATOM 260 C GLN A 19 -6.816 3.674 -4.038 1.00 0.00 C ATOM 261 O GLN A 19 -6.449 2.511 -4.130 1.00 0.00 O ATOM 262 CB GLN A 19 -9.227 4.218 -3.544 1.00 0.00 C ATOM 263 CG GLN A 19 -9.804 2.882 -4.046 1.00 0.00 C ATOM 264 CD GLN A 19 -9.921 1.835 -2.935 1.00 0.00 C ATOM 265 OE1 GLN A 19 -10.457 2.103 -1.861 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.393 0.640 -3.134 1.00 0.00 N ATOM 0 H GLN A 19 -7.964 6.104 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.835 3.251 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.891 4.636 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.195 4.930 -4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.788 3.056 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.169 2.492 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.949 0.421 -4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.429 -0.063 -2.396 1.00 0.00 H new ATOM 275 N ASP A 20 -6.359 4.624 -4.856 1.00 0.00 N ATOM 276 CA ASP A 20 -5.367 4.368 -5.901 1.00 0.00 C ATOM 277 C ASP A 20 -4.053 3.964 -5.249 1.00 0.00 C ATOM 278 O ASP A 20 -3.410 3.013 -5.681 1.00 0.00 O ATOM 279 CB ASP A 20 -5.137 5.631 -6.741 1.00 0.00 C ATOM 280 CG ASP A 20 -6.253 5.937 -7.727 1.00 0.00 C ATOM 281 OD1 ASP A 20 -6.552 5.101 -8.604 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.809 7.055 -7.644 1.00 0.00 O ATOM 0 H ASP A 20 -6.668 5.595 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.732 3.571 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.016 6.482 -6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.202 5.523 -7.290 1.00 0.00 H new ATOM 287 N ALA A 21 -3.640 4.691 -4.209 1.00 0.00 N ATOM 288 CA ALA A 21 -2.444 4.377 -3.434 1.00 0.00 C ATOM 289 C ALA A 21 -2.494 2.941 -2.903 1.00 0.00 C ATOM 290 O ALA A 21 -1.558 2.176 -3.139 1.00 0.00 O ATOM 291 CB ALA A 21 -2.263 5.390 -2.300 1.00 0.00 C ATOM 0 H ALA A 21 -4.133 5.521 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.577 4.449 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.367 5.143 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.162 6.391 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.131 5.358 -1.642 1.00 0.00 H new ATOM 297 N TRP A 22 -3.584 2.572 -2.227 1.00 0.00 N ATOM 298 CA TRP A 22 -3.867 1.232 -1.736 1.00 0.00 C ATOM 299 C TRP A 22 -3.765 0.255 -2.905 1.00 0.00 C ATOM 300 O TRP A 22 -2.917 -0.627 -2.871 1.00 0.00 O ATOM 301 CB TRP A 22 -5.254 1.212 -1.071 1.00 0.00 C ATOM 302 CG TRP A 22 -5.760 -0.102 -0.555 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.631 -0.906 -1.200 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.532 -0.726 0.742 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.964 -1.977 -0.391 1.00 0.00 N ATOM 306 CE2 TRP A 22 -6.306 -1.922 0.819 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.771 -0.387 1.877 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.296 -2.751 1.955 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.803 -1.172 3.039 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.526 -2.370 3.065 1.00 0.00 C ATOM 0 H TRP A 22 -4.325 3.235 -1.999 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.144 0.929 -0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -5.237 1.915 -0.238 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.978 1.590 -1.793 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.011 -0.738 -2.197 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.615 -2.716 -0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.150 0.496 1.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.871 -3.665 1.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.266 -0.850 3.919 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.491 -3.002 3.940 1.00 0.00 H new ATOM 321 N ASP A 23 -4.572 0.423 -3.956 1.00 0.00 N ATOM 322 CA ASP A 23 -4.664 -0.500 -5.089 1.00 0.00 C ATOM 323 C ASP A 23 -3.270 -0.787 -5.668 1.00 0.00 C ATOM 324 O ASP A 23 -2.888 -1.932 -5.929 1.00 0.00 O ATOM 325 CB ASP A 23 -5.541 0.076 -6.225 1.00 0.00 C ATOM 326 CG ASP A 23 -7.062 0.063 -6.050 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.566 -0.401 -5.001 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.745 0.456 -7.025 1.00 0.00 O ATOM 0 H ASP A 23 -5.195 1.226 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.116 -1.416 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.235 1.109 -6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.307 -0.474 -7.136 1.00 0.00 H new ATOM 333 N TYR A 24 -2.492 0.268 -5.892 1.00 0.00 N ATOM 334 CA TYR A 24 -1.157 0.176 -6.460 1.00 0.00 C ATOM 335 C TYR A 24 -0.206 -0.547 -5.496 1.00 0.00 C ATOM 336 O TYR A 24 0.603 -1.383 -5.908 1.00 0.00 O ATOM 337 CB TYR A 24 -0.664 1.597 -6.771 1.00 0.00 C ATOM 338 CG TYR A 24 -1.124 2.150 -8.109 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.485 2.181 -8.484 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.154 2.636 -9.002 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.868 2.689 -9.738 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.518 3.090 -10.273 1.00 0.00 C ATOM 343 CZ TYR A 24 -1.877 3.136 -10.641 1.00 0.00 C ATOM 344 OH TYR A 24 -2.209 3.729 -11.816 1.00 0.00 O ATOM 0 H TYR A 24 -2.779 1.224 -5.680 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.182 -0.407 -7.380 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.004 2.266 -5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.426 1.602 -6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.237 1.812 -7.803 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.884 2.659 -8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.912 2.737 -10.009 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.242 3.405 -10.972 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.393 3.969 -12.303 1.00 0.00 H new ATOM 354 N CYS A 25 -0.298 -0.222 -4.209 1.00 0.00 N ATOM 355 CA CYS A 25 0.544 -0.754 -3.149 1.00 0.00 C ATOM 356 C CYS A 25 0.295 -2.244 -2.894 1.00 0.00 C ATOM 357 O CYS A 25 1.238 -3.016 -2.722 1.00 0.00 O ATOM 358 CB CYS A 25 0.280 0.067 -1.887 1.00 0.00 C ATOM 359 SG CYS A 25 1.301 -0.395 -0.486 1.00 0.00 S ATOM 0 H CYS A 25 -0.989 0.445 -3.866 1.00 0.00 H new ATOM 0 HA CYS A 25 1.589 -0.674 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.445 1.121 -2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.769 -0.040 -1.610 1.00 0.00 H new ATOM 0 HG CYS A 25 0.546 -0.598 0.553 1.00 0.00 H new ATOM 364 N THR A 26 -0.963 -2.674 -2.889 1.00 0.00 N ATOM 365 CA THR A 26 -1.368 -4.052 -2.632 1.00 0.00 C ATOM 366 C THR A 26 -1.163 -4.935 -3.877 1.00 0.00 C ATOM 367 O THR A 26 -1.385 -6.148 -3.840 1.00 0.00 O ATOM 368 CB THR A 26 -2.801 -4.041 -2.098 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.670 -3.591 -3.116 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.932 -3.154 -0.849 1.00 0.00 C ATOM 0 H THR A 26 -1.753 -2.054 -3.069 1.00 0.00 H new ATOM 0 HA THR A 26 -0.736 -4.506 -1.869 1.00 0.00 H new ATOM 0 HB THR A 26 -3.071 -5.055 -1.804 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.635 -2.613 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.964 -3.170 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.275 -3.531 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.650 -2.131 -1.098 1.00 0.00 H new ATOM 378 N ASN A 27 -0.708 -4.338 -4.987 1.00 0.00 N ATOM 379 CA ASN A 27 -0.609 -4.931 -6.316 1.00 0.00 C ATOM 380 C ASN A 27 -1.971 -5.372 -6.853 1.00 0.00 C ATOM 381 O ASN A 27 -2.049 -6.235 -7.729 1.00 0.00 O ATOM 382 CB ASN A 27 0.432 -6.057 -6.351 1.00 0.00 C ATOM 383 CG ASN A 27 1.016 -6.241 -7.746 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.439 -5.285 -8.382 1.00 0.00 O ATOM 385 ND2 ASN A 27 1.084 -7.461 -8.249 1.00 0.00 N ATOM 0 H ASN A 27 -0.382 -3.372 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.256 -4.154 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.234 -5.833 -5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.029 -6.989 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.491 -7.610 -9.172 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.730 -8.254 -7.714 1.00 0.00 H new ATOM 392 N TYR A 28 -3.054 -4.767 -6.357 1.00 0.00 N ATOM 393 CA TYR A 28 -4.358 -4.804 -7.005 1.00 0.00 C ATOM 394 C TYR A 28 -4.259 -4.226 -8.421 1.00 0.00 C ATOM 395 O TYR A 28 -5.042 -4.588 -9.298 1.00 0.00 O ATOM 396 CB TYR A 28 -5.336 -3.984 -6.159 1.00 0.00 C ATOM 397 CG TYR A 28 -6.790 -4.099 -6.531 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.520 -5.221 -6.115 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.432 -3.056 -7.222 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.887 -5.324 -6.400 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.796 -3.152 -7.531 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.527 -4.296 -7.132 1.00 0.00 C ATOM 403 OH TYR A 28 -10.848 -4.377 -7.434 1.00 0.00 O ATOM 0 H TYR A 28 -3.045 -4.235 -5.487 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.710 -5.832 -7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.224 -4.284 -5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.048 -2.935 -6.222 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.025 -6.012 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.873 -2.179 -7.515 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.449 -6.182 -6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.287 -2.356 -8.071 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.117 -3.582 -7.940 1.00 0.00 H new ATOM 413 N ILE A 29 -3.293 -3.333 -8.645 1.00 0.00 N ATOM 414 CA ILE A 29 -2.968 -2.715 -9.916 1.00 0.00 C ATOM 415 C ILE A 29 -1.459 -2.879 -10.066 1.00 0.00 C ATOM 416 O ILE A 29 -0.699 -2.305 -9.282 1.00 0.00 O ATOM 417 CB ILE A 29 -3.434 -1.246 -9.910 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.968 -1.156 -9.774 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.954 -0.502 -11.163 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.776 -1.538 -11.017 1.00 0.00 C ATOM 0 H ILE A 29 -2.685 -3.008 -7.894 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.472 -3.172 -10.768 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.985 -0.761 -9.043 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.278 -1.800 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.229 -0.135 -9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.300 0.531 -11.127 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.865 -0.519 -11.201 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.356 -0.989 -12.052 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.840 -1.437 -10.804 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.507 -0.879 -11.843 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.557 -2.570 -11.290 1.00 0.00 H new ATOM 432 N VAL A 30 -1.019 -3.699 -11.020 1.00 0.00 N ATOM 433 CA VAL A 30 0.395 -3.890 -11.309 1.00 0.00 C ATOM 434 C VAL A 30 1.006 -2.558 -11.728 1.00 0.00 C ATOM 435 O VAL A 30 0.524 -1.916 -12.664 1.00 0.00 O ATOM 436 CB VAL A 30 0.612 -4.981 -12.375 1.00 0.00 C ATOM 437 CG1 VAL A 30 0.720 -6.332 -11.666 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.461 -5.050 -13.476 1.00 0.00 C ATOM 0 H VAL A 30 -1.639 -4.250 -11.614 1.00 0.00 H new ATOM 0 HA VAL A 30 0.899 -4.238 -10.408 1.00 0.00 H new ATOM 0 HB VAL A 30 1.530 -4.718 -12.901 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.874 -7.119 -12.404 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.562 -6.314 -10.974 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.199 -6.528 -11.114 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.215 -5.850 -14.174 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.433 -5.249 -13.025 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.496 -4.100 -14.010 1.00 0.00 H new ATOM 448 N ASN A 31 2.039 -2.105 -11.018 1.00 0.00 N ATOM 449 CA ASN A 31 2.694 -0.840 -11.354 1.00 0.00 C ATOM 450 C ASN A 31 4.163 -0.854 -10.967 1.00 0.00 C ATOM 451 O ASN A 31 5.003 -0.471 -11.775 1.00 0.00 O ATOM 452 CB ASN A 31 1.967 0.362 -10.728 1.00 0.00 C ATOM 453 CG ASN A 31 2.073 0.381 -9.219 1.00 0.00 C ATOM 454 OD1 ASN A 31 2.859 1.136 -8.656 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.305 -0.455 -8.543 1.00 0.00 N ATOM 0 H ASN A 31 2.438 -2.589 -10.214 1.00 0.00 H new ATOM 0 HA ASN A 31 2.637 -0.728 -12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.385 1.285 -11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.916 0.336 -11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.356 -0.485 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.661 -1.071 -9.039 1.00 0.00 H new ATOM 462 N SER A 32 4.503 -1.301 -9.761 1.00 0.00 N ATOM 463 CA SER A 32 5.849 -1.219 -9.236 1.00 0.00 C ATOM 464 C SER A 32 6.073 -2.411 -8.313 1.00 0.00 C ATOM 465 O SER A 32 5.369 -3.423 -8.398 1.00 0.00 O ATOM 466 CB SER A 32 6.016 0.163 -8.580 1.00 0.00 C ATOM 467 OG SER A 32 7.369 0.508 -8.337 1.00 0.00 O ATOM 0 H SER A 32 3.839 -1.734 -9.119 1.00 0.00 H new ATOM 0 HA SER A 32 6.621 -1.287 -10.002 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.565 0.919 -9.222 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.469 0.178 -7.637 1.00 0.00 H new ATOM 0 HG SER A 32 7.411 1.395 -7.922 1.00 0.00 H new ATOM 473 N SER A 33 7.106 -2.323 -7.482 1.00 0.00 N ATOM 474 CA SER A 33 7.528 -3.394 -6.602 1.00 0.00 C ATOM 475 C SER A 33 6.545 -3.653 -5.457 1.00 0.00 C ATOM 476 O SER A 33 6.802 -4.599 -4.712 1.00 0.00 O ATOM 477 CB SER A 33 8.911 -3.049 -6.058 1.00 0.00 C ATOM 478 OG SER A 33 9.537 -4.196 -5.510 1.00 0.00 O ATOM 0 H SER A 33 7.682 -1.485 -7.404 1.00 0.00 H new ATOM 0 HA SER A 33 7.559 -4.318 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.529 -2.639 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.824 -2.277 -5.294 1.00 0.00 H new ATOM 0 HG SER A 33 8.878 -4.720 -5.008 1.00 0.00 H new ATOM 484 N CYS A 34 5.460 -2.872 -5.345 1.00 0.00 N ATOM 485 CA CYS A 34 4.378 -3.003 -4.380 1.00 0.00 C ATOM 486 C CYS A 34 4.918 -3.334 -2.974 1.00 0.00 C ATOM 487 O CYS A 34 5.949 -2.796 -2.555 1.00 0.00 O ATOM 488 CB CYS A 34 3.316 -3.939 -5.004 1.00 0.00 C ATOM 489 SG CYS A 34 3.906 -5.470 -5.770 1.00 0.00 S ATOM 0 H CYS A 34 5.313 -2.081 -5.972 1.00 0.00 H new ATOM 0 HA CYS A 34 3.856 -2.067 -4.182 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.601 -4.205 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.769 -3.373 -5.758 1.00 0.00 H new ATOM 0 HG CYS A 34 4.269 -6.307 -4.844 1.00 0.00 H new ATOM 494 N GLY A 35 4.202 -4.147 -2.202 1.00 0.00 N ATOM 495 CA GLY A 35 4.762 -4.797 -1.037 1.00 0.00 C ATOM 496 C GLY A 35 4.837 -3.882 0.177 1.00 0.00 C ATOM 497 O GLY A 35 4.339 -2.753 0.180 1.00 0.00 O ATOM 0 H GLY A 35 3.221 -4.369 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.158 -5.670 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.763 -5.158 -1.275 1.00 0.00 H new ATOM 501 N GLU A 36 5.430 -4.401 1.252 1.00 0.00 N ATOM 502 CA GLU A 36 5.546 -3.703 2.518 1.00 0.00 C ATOM 503 C GLU A 36 6.328 -2.409 2.378 1.00 0.00 C ATOM 504 O GLU A 36 6.004 -1.461 3.072 1.00 0.00 O ATOM 505 CB GLU A 36 6.159 -4.580 3.608 1.00 0.00 C ATOM 506 CG GLU A 36 7.678 -4.781 3.583 1.00 0.00 C ATOM 507 CD GLU A 36 8.066 -5.604 4.799 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.961 -6.848 4.714 1.00 0.00 O ATOM 509 OE2 GLU A 36 8.336 -5.029 5.880 1.00 0.00 O ATOM 0 H GLU A 36 5.847 -5.332 1.261 1.00 0.00 H new ATOM 0 HA GLU A 36 4.529 -3.456 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.892 -4.152 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.689 -5.562 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.979 -5.290 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.189 -3.819 3.596 1.00 0.00 H new ATOM 516 N ILE A 37 7.320 -2.356 1.488 1.00 0.00 N ATOM 517 CA ILE A 37 8.090 -1.142 1.227 1.00 0.00 C ATOM 518 C ILE A 37 7.141 -0.062 0.721 1.00 0.00 C ATOM 519 O ILE A 37 7.160 1.053 1.230 1.00 0.00 O ATOM 520 CB ILE A 37 9.237 -1.445 0.244 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.261 -2.315 1.015 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.862 -0.148 -0.310 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.597 -2.522 0.309 1.00 0.00 C ATOM 0 H ILE A 37 7.612 -3.156 0.927 1.00 0.00 H new ATOM 0 HA ILE A 37 8.558 -0.774 2.140 1.00 0.00 H new ATOM 0 HB ILE A 37 8.874 -1.982 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.448 -1.854 1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.814 -3.291 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.668 -0.398 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.100 0.428 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.261 0.444 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.244 -3.143 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.430 -3.015 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.074 -1.556 0.142 1.00 0.00 H new ATOM 535 N CYS A 38 6.287 -0.376 -0.255 1.00 0.00 N ATOM 536 CA CYS A 38 5.327 0.597 -0.737 1.00 0.00 C ATOM 537 C CYS A 38 4.389 1.025 0.389 1.00 0.00 C ATOM 538 O CYS A 38 4.095 2.212 0.509 1.00 0.00 O ATOM 539 CB CYS A 38 4.552 0.025 -1.915 1.00 0.00 C ATOM 540 SG CYS A 38 3.492 1.270 -2.682 1.00 0.00 S ATOM 0 H CYS A 38 6.246 -1.285 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 38 5.860 1.484 -1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.250 -0.365 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.943 -0.814 -1.578 1.00 0.00 H new ATOM 0 HG CYS A 38 3.499 2.351 -1.959 1.00 0.00 H new ATOM 545 N CYS A 39 3.955 0.088 1.239 1.00 0.00 N ATOM 546 CA CYS A 39 3.148 0.404 2.398 1.00 0.00 C ATOM 547 C CYS A 39 3.893 1.412 3.281 1.00 0.00 C ATOM 548 O CYS A 39 3.370 2.483 3.571 1.00 0.00 O ATOM 549 CB CYS A 39 2.805 -0.873 3.170 1.00 0.00 C ATOM 550 SG CYS A 39 2.013 -2.243 2.293 1.00 0.00 S ATOM 0 H CYS A 39 4.159 -0.906 1.134 1.00 0.00 H new ATOM 0 HA CYS A 39 2.209 0.856 2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.729 -1.252 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.154 -0.592 3.998 1.00 0.00 H new ATOM 0 HG CYS A 39 1.739 -1.878 1.076 1.00 0.00 H new ATOM 555 N ASN A 40 5.127 1.078 3.660 1.00 0.00 N ATOM 556 CA ASN A 40 6.055 1.818 4.505 1.00 0.00 C ATOM 557 C ASN A 40 6.389 3.190 3.920 1.00 0.00 C ATOM 558 O ASN A 40 6.855 4.066 4.645 1.00 0.00 O ATOM 559 CB ASN A 40 7.348 0.982 4.630 1.00 0.00 C ATOM 560 CG ASN A 40 7.287 -0.173 5.623 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.293 -0.798 5.950 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.119 -0.538 6.118 1.00 0.00 N ATOM 0 H ASN A 40 5.538 0.197 3.351 1.00 0.00 H new ATOM 0 HA ASN A 40 5.593 1.985 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.598 0.581 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.163 1.645 4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.062 -1.328 6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.274 -0.030 5.857 1.00 0.00 H new ATOM 569 N ASP A 41 6.164 3.391 2.622 1.00 0.00 N ATOM 570 CA ASP A 41 6.443 4.627 1.912 1.00 0.00 C ATOM 571 C ASP A 41 5.160 5.389 1.538 1.00 0.00 C ATOM 572 O ASP A 41 5.272 6.456 0.932 1.00 0.00 O ATOM 573 CB ASP A 41 7.298 4.328 0.668 1.00 0.00 C ATOM 574 CG ASP A 41 8.804 4.210 0.877 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.476 5.242 1.102 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.377 3.125 0.635 1.00 0.00 O ATOM 0 H ASP A 41 5.768 2.669 2.020 1.00 0.00 H new ATOM 0 HA ASP A 41 7.002 5.281 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.943 3.396 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.118 5.115 -0.064 1.00 0.00 H new ATOM 581 N CYS A 42 3.955 4.903 1.883 1.00 0.00 N ATOM 582 CA CYS A 42 2.681 5.579 1.589 1.00 0.00 C ATOM 583 C CYS A 42 1.696 5.637 2.765 1.00 0.00 C ATOM 584 O CYS A 42 0.756 6.433 2.727 1.00 0.00 O ATOM 585 CB CYS A 42 1.961 4.928 0.405 1.00 0.00 C ATOM 586 SG CYS A 42 2.894 4.797 -1.151 1.00 0.00 S ATOM 0 H CYS A 42 3.838 4.020 2.379 1.00 0.00 H new ATOM 0 HA CYS A 42 2.979 6.602 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.655 3.925 0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.050 5.494 0.208 1.00 0.00 H new ATOM 0 HG CYS A 42 2.813 5.920 -1.802 1.00 0.00 H new ATOM 591 N PHE A 43 1.849 4.802 3.790 1.00 0.00 N ATOM 592 CA PHE A 43 0.874 4.611 4.850 1.00 0.00 C ATOM 593 C PHE A 43 1.612 4.539 6.178 1.00 0.00 C ATOM 594 O PHE A 43 2.563 3.765 6.317 1.00 0.00 O ATOM 595 CB PHE A 43 0.114 3.292 4.645 1.00 0.00 C ATOM 596 CG PHE A 43 -0.835 3.217 3.459 1.00 0.00 C ATOM 597 CD1 PHE A 43 -2.098 3.811 3.586 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.526 2.527 2.267 1.00 0.00 C ATOM 599 CE1 PHE A 43 -3.046 3.711 2.559 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.469 2.445 1.226 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.732 3.038 1.372 1.00 0.00 C ATOM 0 H PHE A 43 2.682 4.224 3.905 1.00 0.00 H new ATOM 0 HA PHE A 43 0.166 5.440 4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.847 2.492 4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.458 3.087 5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.344 4.353 4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.441 2.059 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.023 4.155 2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.220 1.925 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.457 2.976 0.574 1.00 0.00 H new ATOM 611 N ASP A 44 1.085 5.254 7.174 1.00 0.00 N ATOM 612 CA ASP A 44 1.478 5.133 8.585 1.00 0.00 C ATOM 613 C ASP A 44 1.367 3.643 8.954 1.00 0.00 C ATOM 614 O ASP A 44 0.564 2.906 8.365 1.00 0.00 O ATOM 615 CB ASP A 44 0.514 5.875 9.525 1.00 0.00 C ATOM 616 CG ASP A 44 0.415 7.396 9.553 1.00 0.00 C ATOM 617 OD1 ASP A 44 -0.455 7.940 8.830 1.00 0.00 O ATOM 618 OD2 ASP A 44 1.061 8.033 10.416 1.00 0.00 O ATOM 0 H ASP A 44 0.356 5.951 7.021 1.00 0.00 H new ATOM 0 HA ASP A 44 2.479 5.550 8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.486 5.500 9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.759 5.558 10.539 1.00 0.00 H new ATOM 623 N GLU A 45 2.136 3.182 9.937 1.00 0.00 N ATOM 624 CA GLU A 45 2.468 1.757 10.037 1.00 0.00 C ATOM 625 C GLU A 45 1.242 0.877 10.321 1.00 0.00 C ATOM 626 O GLU A 45 1.212 -0.296 9.950 1.00 0.00 O ATOM 627 CB GLU A 45 3.560 1.432 11.074 1.00 0.00 C ATOM 628 CG GLU A 45 4.770 0.721 10.433 1.00 0.00 C ATOM 629 CD GLU A 45 5.425 -0.276 11.391 1.00 0.00 C ATOM 630 OE1 GLU A 45 6.004 0.133 12.421 1.00 0.00 O ATOM 631 OE2 GLU A 45 5.293 -1.505 11.164 1.00 0.00 O ATOM 0 H GLU A 45 2.539 3.765 10.671 1.00 0.00 H new ATOM 0 HA GLU A 45 2.863 1.522 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.892 2.354 11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.141 0.800 11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.448 0.199 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.505 1.464 10.125 1.00 0.00 H new ATOM 638 N THR A 46 0.230 1.420 10.988 1.00 0.00 N ATOM 639 CA THR A 46 -1.017 0.726 11.274 1.00 0.00 C ATOM 640 C THR A 46 -1.822 0.523 9.982 1.00 0.00 C ATOM 641 O THR A 46 -2.333 -0.573 9.745 1.00 0.00 O ATOM 642 CB THR A 46 -1.769 1.533 12.339 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.961 1.641 13.490 1.00 0.00 O ATOM 644 CG2 THR A 46 -3.093 0.908 12.758 1.00 0.00 C ATOM 0 H THR A 46 0.255 2.373 11.351 1.00 0.00 H new ATOM 0 HA THR A 46 -0.836 -0.274 11.668 1.00 0.00 H new ATOM 0 HB THR A 46 -1.988 2.503 11.892 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.435 2.157 14.175 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.568 1.534 13.513 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.748 0.827 11.890 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.912 -0.085 13.171 1.00 0.00 H new ATOM 652 N GLY A 47 -1.874 1.537 9.110 1.00 0.00 N ATOM 653 CA GLY A 47 -2.393 1.403 7.755 1.00 0.00 C ATOM 654 C GLY A 47 -1.590 0.339 7.018 1.00 0.00 C ATOM 655 O GLY A 47 -2.149 -0.628 6.493 1.00 0.00 O ATOM 0 H GLY A 47 -1.553 2.479 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.447 1.128 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.326 2.356 7.230 1.00 0.00 H new ATOM 659 N THR A 48 -0.261 0.463 7.060 1.00 0.00 N ATOM 660 CA THR A 48 0.643 -0.533 6.523 1.00 0.00 C ATOM 661 C THR A 48 0.262 -1.935 6.993 1.00 0.00 C ATOM 662 O THR A 48 0.192 -2.807 6.143 1.00 0.00 O ATOM 663 CB THR A 48 2.099 -0.162 6.845 1.00 0.00 C ATOM 664 OG1 THR A 48 2.573 0.821 5.956 1.00 0.00 O ATOM 665 CG2 THR A 48 3.093 -1.324 6.815 1.00 0.00 C ATOM 0 H THR A 48 0.212 1.267 7.473 1.00 0.00 H new ATOM 0 HA THR A 48 0.553 -0.546 5.437 1.00 0.00 H new ATOM 0 HB THR A 48 2.052 0.199 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.435 1.709 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.090 -0.956 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.797 -2.075 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.101 -1.770 5.821 1.00 0.00 H new ATOM 673 N GLY A 49 -0.020 -2.218 8.265 1.00 0.00 N ATOM 674 CA GLY A 49 -0.282 -3.599 8.672 1.00 0.00 C ATOM 675 C GLY A 49 -1.522 -4.209 7.999 1.00 0.00 C ATOM 676 O GLY A 49 -1.610 -5.433 7.874 1.00 0.00 O ATOM 0 H GLY A 49 -0.072 -1.529 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.588 -4.211 8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.411 -3.633 9.754 1.00 0.00 H new ATOM 680 N ALA A 50 -2.468 -3.392 7.524 1.00 0.00 N ATOM 681 CA ALA A 50 -3.567 -3.829 6.665 1.00 0.00 C ATOM 682 C ALA A 50 -3.090 -4.048 5.236 1.00 0.00 C ATOM 683 O ALA A 50 -3.382 -5.068 4.609 1.00 0.00 O ATOM 684 CB ALA A 50 -4.652 -2.745 6.667 1.00 0.00 C ATOM 0 H ALA A 50 -2.489 -2.393 7.730 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.958 -4.772 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.479 -3.057 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.014 -2.594 7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.235 -1.812 6.289 1.00 0.00 H new ATOM 690 N CYS A 51 -2.392 -3.050 4.704 1.00 0.00 N ATOM 691 CA CYS A 51 -1.994 -2.970 3.323 1.00 0.00 C ATOM 692 C CYS A 51 -0.991 -4.086 3.033 1.00 0.00 C ATOM 693 O CYS A 51 -1.077 -4.743 2.001 1.00 0.00 O ATOM 694 CB CYS A 51 -1.458 -1.559 3.091 1.00 0.00 C ATOM 695 SG CYS A 51 -1.386 -1.058 1.364 1.00 0.00 S ATOM 0 H CYS A 51 -2.081 -2.249 5.253 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.818 -3.126 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.085 -0.853 3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.457 -1.490 3.517 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.417 0.239 1.287 1.00 0.00 H new ATOM 700 N ARG A 52 -0.117 -4.392 4.001 1.00 0.00 N ATOM 701 CA ARG A 52 0.814 -5.498 3.968 1.00 0.00 C ATOM 702 C ARG A 52 0.056 -6.783 3.755 1.00 0.00 C ATOM 703 O ARG A 52 0.442 -7.502 2.858 1.00 0.00 O ATOM 704 CB ARG A 52 1.703 -5.631 5.213 1.00 0.00 C ATOM 705 CG ARG A 52 2.813 -4.590 5.266 1.00 0.00 C ATOM 706 CD ARG A 52 3.791 -4.742 6.444 1.00 0.00 C ATOM 707 NE ARG A 52 4.816 -5.799 6.278 1.00 0.00 N ATOM 708 CZ ARG A 52 5.701 -6.163 7.231 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.688 -5.578 8.426 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.600 -7.116 7.024 1.00 0.00 N ATOM 0 H ARG A 52 -0.047 -3.845 4.859 1.00 0.00 H new ATOM 0 HA ARG A 52 1.493 -5.290 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.084 -5.540 6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.145 -6.627 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.379 -4.636 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.360 -3.600 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.296 -3.789 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.218 -4.952 7.347 1.00 0.00 H new ATOM 0 HE ARG A 52 4.856 -6.285 5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.005 -4.848 8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.361 -5.860 9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.636 -7.596 6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.255 -7.368 7.764 1.00 0.00 H new ATOM 724 N ALA A 53 -1.006 -7.079 4.509 1.00 0.00 N ATOM 725 CA ALA A 53 -1.762 -8.316 4.275 1.00 0.00 C ATOM 726 C ALA A 53 -2.215 -8.397 2.814 1.00 0.00 C ATOM 727 O ALA A 53 -1.928 -9.382 2.128 1.00 0.00 O ATOM 728 CB ALA A 53 -2.979 -8.441 5.194 1.00 0.00 C ATOM 0 H ALA A 53 -1.357 -6.496 5.269 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.089 -9.143 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.503 -9.373 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.652 -8.440 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.651 -7.600 5.024 1.00 0.00 H new ATOM 734 N GLN A 54 -2.870 -7.337 2.324 1.00 0.00 N ATOM 735 CA GLN A 54 -3.296 -7.226 0.924 1.00 0.00 C ATOM 736 C GLN A 54 -2.104 -7.192 -0.066 1.00 0.00 C ATOM 737 O GLN A 54 -2.325 -7.251 -1.272 1.00 0.00 O ATOM 738 CB GLN A 54 -4.182 -5.980 0.762 1.00 0.00 C ATOM 739 CG GLN A 54 -5.127 -5.936 -0.459 1.00 0.00 C ATOM 740 CD GLN A 54 -6.441 -6.709 -0.314 1.00 0.00 C ATOM 741 OE1 GLN A 54 -7.007 -6.814 0.770 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.005 -7.226 -1.397 1.00 0.00 N ATOM 0 H GLN A 54 -3.121 -6.527 2.892 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.867 -8.121 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.789 -5.878 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.531 -5.107 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.363 -4.894 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.591 -6.327 -1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.542 -7.143 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.902 -7.706 -1.325 1.00 0.00 H new ATOM 751 N ALA A 55 -0.853 -7.138 0.398 1.00 0.00 N ATOM 752 CA ALA A 55 0.372 -7.124 -0.395 1.00 0.00 C ATOM 753 C ALA A 55 1.314 -8.300 -0.042 1.00 0.00 C ATOM 754 O ALA A 55 2.445 -8.328 -0.507 1.00 0.00 O ATOM 755 CB ALA A 55 1.111 -5.795 -0.173 1.00 0.00 C ATOM 0 H ALA A 55 -0.660 -7.101 1.399 1.00 0.00 H new ATOM 0 HA ALA A 55 0.086 -7.233 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.026 -5.784 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.471 -4.967 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.361 -5.690 0.883 1.00 0.00 H new ATOM 761 N PHE A 56 0.900 -9.235 0.813 1.00 0.00 N ATOM 762 CA PHE A 56 1.697 -10.327 1.367 1.00 0.00 C ATOM 763 C PHE A 56 1.046 -11.638 0.949 1.00 0.00 C ATOM 764 O PHE A 56 1.694 -12.538 0.425 1.00 0.00 O ATOM 765 CB PHE A 56 1.684 -10.257 2.905 1.00 0.00 C ATOM 766 CG PHE A 56 2.489 -11.347 3.598 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.812 -11.638 3.203 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.908 -12.080 4.652 1.00 0.00 C ATOM 769 CE1 PHE A 56 4.550 -12.629 3.867 1.00 0.00 C ATOM 770 CE2 PHE A 56 2.656 -13.063 5.326 1.00 0.00 C ATOM 771 CZ PHE A 56 3.979 -13.331 4.937 1.00 0.00 C ATOM 0 H PHE A 56 -0.060 -9.250 1.158 1.00 0.00 H new ATOM 0 HA PHE A 56 2.723 -10.256 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.071 -9.286 3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.651 -10.313 3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.259 -11.094 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.886 -11.887 4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.559 -12.851 3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.212 -13.612 6.143 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.556 -14.078 5.462 1.00 0.00 H new ATOM 781 N GLY A 57 -0.256 -11.742 1.228 1.00 0.00 N ATOM 782 CA GLY A 57 -1.085 -12.921 1.025 1.00 0.00 C ATOM 783 C GLY A 57 -2.285 -12.577 0.151 1.00 0.00 C ATOM 784 O GLY A 57 -3.421 -12.809 0.564 1.00 0.00 O ATOM 0 H GLY A 57 -0.783 -10.962 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.498 -13.710 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.425 -13.306 1.987 1.00 0.00 H new ATOM 788 N ASN A 58 -2.054 -11.941 -1.005 1.00 0.00 N ATOM 789 CA ASN A 58 -3.115 -11.494 -1.900 1.00 0.00 C ATOM 790 C ASN A 58 -2.629 -11.466 -3.362 1.00 0.00 C ATOM 791 O ASN A 58 -2.756 -12.488 -4.033 1.00 0.00 O ATOM 792 CB ASN A 58 -3.613 -10.138 -1.405 1.00 0.00 C ATOM 793 CG ASN A 58 -4.691 -9.588 -2.331 1.00 0.00 C ATOM 794 OD1 ASN A 58 -5.734 -10.207 -2.509 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.446 -8.452 -2.962 1.00 0.00 N ATOM 0 H ASN A 58 -1.116 -11.723 -1.343 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.951 -12.193 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.011 -10.238 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.780 -9.437 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.133 -8.072 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.570 -7.955 -2.797 1.00 0.00 H new ATOM 802 N SER A 59 -2.046 -10.355 -3.846 1.00 0.00 N ATOM 803 CA SER A 59 -1.673 -10.161 -5.255 1.00 0.00 C ATOM 804 C SER A 59 -0.193 -9.882 -5.480 1.00 0.00 C ATOM 805 O SER A 59 0.325 -10.173 -6.559 1.00 0.00 O ATOM 806 CB SER A 59 -2.443 -8.975 -5.845 1.00 0.00 C ATOM 807 OG SER A 59 -3.793 -9.324 -6.051 1.00 0.00 O ATOM 0 H SER A 59 -1.818 -9.554 -3.257 1.00 0.00 H new ATOM 0 HA SER A 59 -1.920 -11.105 -5.741 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.380 -8.120 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.990 -8.672 -6.789 1.00 0.00 H new ATOM 0 HG SER A 59 -4.275 -8.558 -6.427 1.00 0.00 H new ATOM 813 N CYS A 60 0.492 -9.281 -4.513 1.00 0.00 N ATOM 814 CA CYS A 60 1.940 -9.223 -4.532 1.00 0.00 C ATOM 815 C CYS A 60 2.398 -10.568 -3.980 1.00 0.00 C ATOM 816 O CYS A 60 1.991 -10.929 -2.875 1.00 0.00 O ATOM 817 CB CYS A 60 2.389 -8.048 -3.675 1.00 0.00 C ATOM 818 SG CYS A 60 4.174 -7.863 -3.497 1.00 0.00 S ATOM 0 H CYS A 60 0.062 -8.828 -3.707 1.00 0.00 H new ATOM 0 HA CYS A 60 2.366 -9.064 -5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.986 -7.131 -4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.950 -8.154 -2.683 1.00 0.00 H new ATOM 0 HG CYS A 60 4.438 -6.722 -2.933 1.00 0.00 H new ATOM 823 N LEU A 61 3.174 -11.326 -4.763 1.00 0.00 N ATOM 824 CA LEU A 61 3.612 -12.675 -4.387 1.00 0.00 C ATOM 825 C LEU A 61 4.412 -12.642 -3.083 1.00 0.00 C ATOM 826 O LEU A 61 4.294 -13.543 -2.245 1.00 0.00 O ATOM 827 CB LEU A 61 4.498 -13.300 -5.489 1.00 0.00 C ATOM 828 CG LEU A 61 3.797 -14.064 -6.629 1.00 0.00 C ATOM 829 CD1 LEU A 61 2.953 -15.250 -6.145 1.00 0.00 C ATOM 830 CD2 LEU A 61 2.941 -13.138 -7.486 1.00 0.00 C ATOM 0 H LEU A 61 3.516 -11.022 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 61 2.714 -13.279 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.090 -12.501 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.197 -13.984 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 61 4.606 -14.470 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.490 -15.740 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.592 -15.961 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.177 -14.892 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.463 -13.714 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.176 -12.671 -6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.571 -12.366 -7.928 1.00 0.00 H new ATOM 842 N ASN A 62 5.282 -11.641 -2.940 1.00 0.00 N ATOM 843 CA ASN A 62 6.157 -11.462 -1.799 1.00 0.00 C ATOM 844 C ASN A 62 6.322 -9.966 -1.617 1.00 0.00 C ATOM 845 O ASN A 62 6.857 -9.303 -2.509 1.00 0.00 O ATOM 846 CB ASN A 62 7.514 -12.135 -2.033 1.00 0.00 C ATOM 847 CG ASN A 62 7.388 -13.644 -2.007 1.00 0.00 C ATOM 848 OD1 ASN A 62 7.306 -14.241 -0.934 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.352 -14.288 -3.156 1.00 0.00 N ATOM 0 H ASN A 62 5.394 -10.912 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 62 5.733 -11.923 -0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.920 -11.818 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.220 -11.813 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.254 -15.303 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.422 -13.771 -4.033 1.00 0.00 H new ATOM 856 N TRP A 63 5.810 -9.470 -0.492 1.00 0.00 N ATOM 857 CA TRP A 63 5.807 -8.079 -0.066 1.00 0.00 C ATOM 858 C TRP A 63 7.212 -7.459 -0.018 1.00 0.00 C ATOM 859 O TRP A 63 8.227 -8.186 -0.131 1.00 0.00 O ATOM 860 CB TRP A 63 5.114 -7.995 1.310 1.00 0.00 C ATOM 861 CG TRP A 63 5.728 -8.757 2.446 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.802 -9.570 2.379 1.00 0.00 C ATOM 863 CD2 TRP A 63 5.255 -8.866 3.817 1.00 0.00 C ATOM 864 NE1 TRP A 63 7.067 -10.105 3.615 1.00 0.00 N ATOM 865 CE2 TRP A 63 6.114 -9.746 4.530 1.00 0.00 C ATOM 866 CE3 TRP A 63 4.128 -8.380 4.498 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.869 -10.129 5.850 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.848 -8.769 5.825 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.721 -9.651 6.492 1.00 0.00 C ATOM 0 H TRP A 63 5.355 -10.076 0.191 1.00 0.00 H new ATOM 0 HA TRP A 63 5.259 -7.495 -0.805 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.065 -6.945 1.598 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.087 -8.340 1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 63 7.371 -9.771 1.483 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.872 -10.695 3.825 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.462 -7.694 3.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.555 -10.784 6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.969 -8.393 6.327 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.503 -9.960 7.504 1.00 0.00 H new