USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= -0.559 (180deg=-2.04!) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= -0.531 (180deg=-0.571) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0479 (180deg=-0.546) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc=-0.00796 (180deg=-0.357) USER MOD Single : A 22 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.012) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.000219 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.0446 (180deg=-0.471) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0225 (180deg=-0.42) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -13.502 -8.686 -11.869 1.00 0.00 N ATOM 2 CA ILE A 5 -12.254 -9.141 -12.497 1.00 0.00 C ATOM 3 C ILE A 5 -11.102 -8.378 -11.818 1.00 0.00 C ATOM 4 O ILE A 5 -10.642 -7.350 -12.348 1.00 0.00 O ATOM 5 CB ILE A 5 -12.283 -8.821 -14.072 1.00 0.00 C ATOM 6 CG1 ILE A 5 -13.646 -9.418 -14.720 1.00 0.00 C ATOM 7 CG2 ILE A 5 -10.983 -9.443 -14.784 1.00 0.00 C ATOM 8 CD1 ILE A 5 -13.796 -9.050 -16.224 1.00 0.00 C ATOM 0 HA ILE A 5 -12.126 -10.217 -12.378 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.268 -7.742 -14.228 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.652 -10.503 -14.611 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.505 -9.037 -14.168 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.011 -9.221 -15.851 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.085 -9.007 -14.346 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.970 -10.523 -14.638 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.723 -9.472 -16.611 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.818 -7.966 -16.333 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.952 -9.454 -16.783 1.00 0.00 H new ATOM 20 N MET A 6 -10.577 -8.934 -10.685 1.00 0.00 N ATOM 21 CA MET A 6 -9.412 -8.347 -9.953 1.00 0.00 C ATOM 22 C MET A 6 -9.462 -6.793 -9.932 1.00 0.00 C ATOM 23 O MET A 6 -8.424 -6.118 -9.888 1.00 0.00 O ATOM 24 CB MET A 6 -8.108 -8.847 -10.699 1.00 0.00 C ATOM 25 CG MET A 6 -7.988 -10.426 -10.628 1.00 0.00 C ATOM 26 SD MET A 6 -6.447 -10.983 -11.465 1.00 0.00 S ATOM 27 CE MET A 6 -5.249 -10.786 -10.098 1.00 0.00 C ATOM 0 H MET A 6 -10.942 -9.786 -10.260 1.00 0.00 H new ATOM 0 HA MET A 6 -9.426 -8.667 -8.911 1.00 0.00 H new ATOM 0 HB2 MET A 6 -8.134 -8.526 -11.740 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.228 -8.390 -10.247 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.984 -10.751 -9.588 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.855 -10.886 -11.102 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.257 -11.083 -10.438 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.227 -9.743 -9.781 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.548 -11.414 -9.259 1.00 0.00 H new ATOM 37 N GLN A 7 -10.687 -6.251 -10.057 1.00 0.00 N ATOM 38 CA GLN A 7 -10.903 -4.809 -10.147 1.00 0.00 C ATOM 39 C GLN A 7 -10.449 -4.125 -8.856 1.00 0.00 C ATOM 40 O GLN A 7 -9.848 -3.049 -8.891 1.00 0.00 O ATOM 41 CB GLN A 7 -12.439 -4.532 -10.414 1.00 0.00 C ATOM 42 CG GLN A 7 -12.697 -2.985 -10.674 1.00 0.00 C ATOM 43 CD GLN A 7 -14.184 -2.671 -10.915 1.00 0.00 C ATOM 44 OE1 GLN A 7 -14.982 -3.560 -11.241 1.00 0.00 O ATOM 45 NE2 GLN A 7 -14.590 -1.441 -10.763 1.00 0.00 N ATOM 0 H GLN A 7 -11.545 -6.802 -10.098 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.316 -4.401 -10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.773 -5.111 -11.275 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.027 -4.865 -9.559 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.341 -2.411 -9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.116 -2.663 -11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.926 -0.714 -10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.571 -1.206 -10.913 1.00 0.00 H new ATOM 54 N ALA A 8 -10.761 -4.780 -7.715 1.00 0.00 N ATOM 55 CA ALA A 8 -10.411 -4.258 -6.385 1.00 0.00 C ATOM 56 C ALA A 8 -8.898 -4.110 -6.261 1.00 0.00 C ATOM 57 O ALA A 8 -8.394 -3.104 -5.737 1.00 0.00 O ATOM 58 CB ALA A 8 -10.948 -5.239 -5.276 1.00 0.00 C ATOM 0 H ALA A 8 -11.255 -5.672 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.870 -3.278 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.688 -4.852 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.032 -5.323 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.496 -6.222 -5.410 1.00 0.00 H new ATOM 64 N LYS A 9 -8.176 -5.141 -6.722 1.00 0.00 N ATOM 65 CA LYS A 9 -6.707 -5.159 -6.649 1.00 0.00 C ATOM 66 C LYS A 9 -6.077 -4.055 -7.535 1.00 0.00 C ATOM 67 O LYS A 9 -5.126 -3.368 -7.132 1.00 0.00 O ATOM 68 CB LYS A 9 -6.167 -6.588 -7.063 1.00 0.00 C ATOM 69 CG LYS A 9 -4.685 -6.799 -6.533 1.00 0.00 C ATOM 70 CD LYS A 9 -4.157 -8.271 -6.829 1.00 0.00 C ATOM 71 CE LYS A 9 -2.726 -8.477 -6.199 1.00 0.00 C ATOM 72 NZ LYS A 9 -1.787 -7.556 -6.873 1.00 0.00 N ATOM 0 H LYS A 9 -8.584 -5.973 -7.149 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.415 -4.951 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.818 -7.361 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.189 -6.691 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.023 -6.073 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.652 -6.610 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.852 -9.003 -6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.116 -8.440 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.750 -8.278 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.401 -9.510 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.939 -8.080 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.247 -7.141 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.513 -6.798 -6.216 1.00 0.00 H new ATOM 86 N GLU A 10 -6.622 -3.904 -8.753 1.00 0.00 N ATOM 87 CA GLU A 10 -6.154 -2.881 -9.734 1.00 0.00 C ATOM 88 C GLU A 10 -6.437 -1.467 -9.200 1.00 0.00 C ATOM 89 O GLU A 10 -5.613 -0.544 -9.351 1.00 0.00 O ATOM 90 CB GLU A 10 -6.897 -3.126 -11.119 1.00 0.00 C ATOM 91 CG GLU A 10 -6.369 -4.445 -11.840 1.00 0.00 C ATOM 92 CD GLU A 10 -4.889 -4.271 -12.287 1.00 0.00 C ATOM 93 OE1 GLU A 10 -4.624 -3.325 -13.006 1.00 0.00 O ATOM 94 OE2 GLU A 10 -4.060 -5.088 -11.904 1.00 0.00 O ATOM 0 H GLU A 10 -7.394 -4.477 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.078 -2.970 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.970 -3.209 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.744 -2.267 -11.772 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.452 -5.294 -11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.992 -4.667 -12.706 1.00 0.00 H new ATOM 101 N ASP A 11 -7.614 -1.322 -8.559 1.00 0.00 N ATOM 102 CA ASP A 11 -8.044 -0.034 -7.967 1.00 0.00 C ATOM 103 C ASP A 11 -7.077 0.354 -6.830 1.00 0.00 C ATOM 104 O ASP A 11 -6.744 1.537 -6.651 1.00 0.00 O ATOM 105 CB ASP A 11 -9.505 -0.136 -7.415 1.00 0.00 C ATOM 106 CG ASP A 11 -10.554 -0.269 -8.552 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.191 -0.155 -9.713 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.713 -0.470 -8.226 1.00 0.00 O ATOM 0 H ASP A 11 -8.286 -2.080 -8.437 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.026 0.733 -8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.581 -0.997 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.729 0.748 -6.818 1.00 0.00 H new ATOM 113 N PHE A 12 -6.630 -0.661 -6.066 1.00 0.00 N ATOM 114 CA PHE A 12 -5.700 -0.438 -4.951 1.00 0.00 C ATOM 115 C PHE A 12 -4.367 0.154 -5.486 1.00 0.00 C ATOM 116 O PHE A 12 -3.871 1.155 -4.967 1.00 0.00 O ATOM 117 CB PHE A 12 -5.432 -1.795 -4.198 1.00 0.00 C ATOM 118 CG PHE A 12 -4.604 -1.493 -2.893 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.281 -1.002 -1.743 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.189 -1.657 -2.852 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.568 -0.684 -0.583 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.483 -1.325 -1.671 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.173 -0.845 -0.542 1.00 0.00 C ATOM 0 H PHE A 12 -6.898 -1.636 -6.202 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.143 0.270 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.375 -2.279 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.884 -2.483 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.353 -0.874 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.659 -2.032 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.092 -0.313 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.410 -1.441 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.629 -0.600 0.358 1.00 0.00 H new ATOM 133 N LYS A 13 -3.815 -0.466 -6.547 1.00 0.00 N ATOM 134 CA LYS A 13 -2.549 -0.006 -7.176 1.00 0.00 C ATOM 135 C LYS A 13 -2.703 1.372 -7.751 1.00 0.00 C ATOM 136 O LYS A 13 -1.796 2.223 -7.661 1.00 0.00 O ATOM 137 CB LYS A 13 -2.152 -1.004 -8.329 1.00 0.00 C ATOM 138 CG LYS A 13 -1.721 -2.390 -7.720 1.00 0.00 C ATOM 139 CD LYS A 13 -1.340 -3.428 -8.860 1.00 0.00 C ATOM 140 CE LYS A 13 -0.872 -4.781 -8.216 1.00 0.00 C ATOM 141 NZ LYS A 13 0.395 -4.527 -7.476 1.00 0.00 N ATOM 0 H LYS A 13 -4.222 -1.289 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.773 0.021 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.994 -1.142 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.335 -0.586 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.869 -2.248 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.534 -2.793 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.199 -3.602 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.547 -3.019 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.636 -5.166 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.718 -5.536 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.752 -5.421 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.102 -4.128 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.217 -3.855 -6.703 1.00 0.00 H new ATOM 155 N LYS A 14 -3.856 1.571 -8.384 1.00 0.00 N ATOM 156 CA LYS A 14 -4.168 2.830 -9.031 1.00 0.00 C ATOM 157 C LYS A 14 -4.165 3.941 -7.984 1.00 0.00 C ATOM 158 O LYS A 14 -3.734 5.059 -8.259 1.00 0.00 O ATOM 159 CB LYS A 14 -5.572 2.761 -9.749 1.00 0.00 C ATOM 160 CG LYS A 14 -5.833 4.102 -10.579 1.00 0.00 C ATOM 161 CD LYS A 14 -7.201 4.048 -11.380 1.00 0.00 C ATOM 162 CE LYS A 14 -7.395 5.383 -12.207 1.00 0.00 C ATOM 163 NZ LYS A 14 -6.263 5.497 -13.172 1.00 0.00 N ATOM 0 H LYS A 14 -4.591 0.867 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.414 3.037 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.606 1.899 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.361 2.623 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.845 4.953 -9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.011 4.263 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.205 3.190 -12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.032 3.915 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.347 5.368 -12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.415 6.245 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.518 6.163 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.417 5.844 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.064 4.564 -13.585 1.00 0.00 H new ATOM 177 N MET A 15 -4.691 3.618 -6.794 1.00 0.00 N ATOM 178 CA MET A 15 -4.755 4.583 -5.693 1.00 0.00 C ATOM 179 C MET A 15 -3.329 4.883 -5.130 1.00 0.00 C ATOM 180 O MET A 15 -3.006 6.018 -4.811 1.00 0.00 O ATOM 181 CB MET A 15 -5.698 4.032 -4.536 1.00 0.00 C ATOM 182 CG MET A 15 -6.065 5.185 -3.498 1.00 0.00 C ATOM 183 SD MET A 15 -7.195 6.391 -4.306 1.00 0.00 S ATOM 184 CE MET A 15 -7.482 7.496 -2.919 1.00 0.00 C ATOM 0 H MET A 15 -5.076 2.700 -6.572 1.00 0.00 H new ATOM 0 HA MET A 15 -5.172 5.514 -6.078 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.611 3.625 -4.970 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.200 3.214 -4.015 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.541 4.758 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.159 5.688 -3.160 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.153 8.299 -3.226 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.934 6.939 -2.098 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.534 7.921 -2.590 1.00 0.00 H new ATOM 194 N MET A 16 -2.531 3.827 -4.953 1.00 0.00 N ATOM 195 CA MET A 16 -1.155 3.934 -4.358 1.00 0.00 C ATOM 196 C MET A 16 -0.171 4.758 -5.215 1.00 0.00 C ATOM 197 O MET A 16 0.638 5.531 -4.670 1.00 0.00 O ATOM 198 CB MET A 16 -0.587 2.468 -4.200 1.00 0.00 C ATOM 199 CG MET A 16 -1.282 1.696 -3.012 1.00 0.00 C ATOM 200 SD MET A 16 -0.815 2.429 -1.381 1.00 0.00 S ATOM 201 CE MET A 16 0.654 1.425 -1.010 1.00 0.00 C ATOM 0 H MET A 16 -2.797 2.876 -5.208 1.00 0.00 H new ATOM 0 HA MET A 16 -1.246 4.455 -3.405 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.738 1.918 -5.129 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.488 2.511 -4.026 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.365 1.732 -3.134 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.993 0.645 -3.038 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.072 1.732 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.373 0.373 -0.963 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.399 1.567 -1.793 1.00 0.00 H new ATOM 211 N GLU A 17 -0.215 4.565 -6.538 1.00 0.00 N ATOM 212 CA GLU A 17 0.710 5.275 -7.468 1.00 0.00 C ATOM 213 C GLU A 17 0.426 6.795 -7.503 1.00 0.00 C ATOM 214 O GLU A 17 1.353 7.618 -7.527 1.00 0.00 O ATOM 215 CB GLU A 17 0.579 4.620 -8.920 1.00 0.00 C ATOM 216 CG GLU A 17 -0.852 4.865 -9.555 1.00 0.00 C ATOM 217 CD GLU A 17 -1.032 4.095 -10.891 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.964 2.882 -10.860 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.272 4.744 -11.910 1.00 0.00 O ATOM 0 H GLU A 17 -0.869 3.932 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 17 1.734 5.163 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.343 5.037 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.767 3.548 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.621 4.552 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.994 5.932 -9.729 1.00 0.00 H new ATOM 226 N GLU A 18 -0.882 7.137 -7.548 1.00 0.00 N ATOM 227 CA GLU A 18 -1.348 8.562 -7.623 1.00 0.00 C ATOM 228 C GLU A 18 -1.325 9.222 -6.240 1.00 0.00 C ATOM 229 O GLU A 18 -1.404 10.443 -6.133 1.00 0.00 O ATOM 230 CB GLU A 18 -2.833 8.595 -8.223 1.00 0.00 C ATOM 231 CG GLU A 18 -3.890 7.963 -7.213 1.00 0.00 C ATOM 232 CD GLU A 18 -5.320 7.898 -7.820 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.453 7.349 -8.899 1.00 0.00 O ATOM 234 OE2 GLU A 18 -6.251 8.377 -7.179 1.00 0.00 O ATOM 0 H GLU A 18 -1.641 6.455 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.673 9.121 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.113 9.625 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.857 8.047 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.569 6.959 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.913 8.554 -6.297 1.00 0.00 H new ATOM 241 N ALA A 19 -1.252 8.383 -5.171 1.00 0.00 N ATOM 242 CA ALA A 19 -1.250 8.867 -3.758 1.00 0.00 C ATOM 243 C ALA A 19 0.168 9.124 -3.310 1.00 0.00 C ATOM 244 O ALA A 19 0.398 9.332 -2.124 1.00 0.00 O ATOM 245 CB ALA A 19 -1.923 7.796 -2.810 1.00 0.00 C ATOM 0 H ALA A 19 -1.194 7.368 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.821 9.794 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.914 8.162 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.952 7.626 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.367 6.860 -2.866 1.00 0.00 H new ATOM 251 N LYS A 20 1.138 8.977 -4.275 1.00 0.00 N ATOM 252 CA LYS A 20 2.586 9.064 -3.975 1.00 0.00 C ATOM 253 C LYS A 20 2.798 9.890 -2.697 1.00 0.00 C ATOM 254 O LYS A 20 2.374 11.044 -2.633 1.00 0.00 O ATOM 255 CB LYS A 20 3.351 9.749 -5.180 1.00 0.00 C ATOM 256 CG LYS A 20 4.949 9.553 -5.057 1.00 0.00 C ATOM 257 CD LYS A 20 5.421 8.138 -5.655 1.00 0.00 C ATOM 258 CE LYS A 20 6.961 7.912 -5.411 1.00 0.00 C ATOM 259 NZ LYS A 20 7.184 7.801 -3.944 1.00 0.00 N ATOM 0 H LYS A 20 0.930 8.799 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 20 2.979 8.058 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.003 9.324 -6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.115 10.813 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.457 10.359 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.245 9.623 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.853 7.333 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.208 8.101 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.298 7.007 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.537 8.741 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.108 7.357 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.167 8.749 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.433 7.218 -3.522 1.00 0.00 H new ATOM 273 N PHE A 21 3.379 9.250 -1.671 1.00 0.00 N ATOM 274 CA PHE A 21 3.580 9.867 -0.351 1.00 0.00 C ATOM 275 C PHE A 21 4.969 9.560 0.136 1.00 0.00 C ATOM 276 O PHE A 21 5.702 8.783 -0.506 1.00 0.00 O ATOM 277 CB PHE A 21 2.482 9.328 0.632 1.00 0.00 C ATOM 278 CG PHE A 21 2.596 7.746 0.749 1.00 0.00 C ATOM 279 CD1 PHE A 21 1.976 6.905 -0.217 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.329 7.147 1.804 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.090 5.502 -0.128 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.438 5.740 1.889 1.00 0.00 C ATOM 283 CZ PHE A 21 2.817 4.919 0.923 1.00 0.00 C ATOM 0 H PHE A 21 3.722 8.291 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 21 3.482 10.951 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.604 9.785 1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.491 9.605 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.413 7.345 -1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.807 7.769 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.617 4.875 -0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.998 5.292 2.696 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.901 3.844 0.992 1.00 0.00 H new ATOM 293 N ASN A 22 5.341 10.181 1.272 1.00 0.00 N ATOM 294 CA ASN A 22 6.674 9.995 1.871 1.00 0.00 C ATOM 295 C ASN A 22 7.066 8.462 1.874 1.00 0.00 C ATOM 296 O ASN A 22 6.329 7.649 2.438 1.00 0.00 O ATOM 297 CB ASN A 22 6.676 10.582 3.319 1.00 0.00 C ATOM 298 CG ASN A 22 6.496 12.111 3.256 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.489 12.659 3.707 1.00 0.00 O ATOM 300 ND2 ASN A 22 7.434 12.819 2.693 1.00 0.00 N ATOM 0 H ASN A 22 4.736 10.816 1.792 1.00 0.00 H new ATOM 0 HA ASN A 22 7.419 10.525 1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.873 10.135 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.612 10.336 3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.337 13.832 2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.266 12.360 2.321 1.00 0.00 H new ATOM 307 N PRO A 23 8.183 8.047 1.202 1.00 0.00 N ATOM 308 CA PRO A 23 8.578 6.582 1.116 1.00 0.00 C ATOM 309 C PRO A 23 9.042 6.015 2.471 1.00 0.00 C ATOM 310 O PRO A 23 9.125 4.790 2.637 1.00 0.00 O ATOM 311 CB PRO A 23 9.731 6.584 0.037 1.00 0.00 C ATOM 312 CG PRO A 23 10.350 7.971 0.129 1.00 0.00 C ATOM 313 CD PRO A 23 9.189 8.924 0.487 1.00 0.00 C ATOM 0 HA PRO A 23 7.744 5.936 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.468 5.808 0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.338 6.392 -0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.130 8.002 0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.814 8.256 -0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.528 9.740 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.757 9.376 -0.406 1.00 0.00 H new ATOM 321 N ARG A 24 9.383 6.929 3.416 1.00 0.00 N ATOM 322 CA ARG A 24 9.882 6.537 4.764 1.00 0.00 C ATOM 323 C ARG A 24 8.737 6.366 5.751 1.00 0.00 C ATOM 324 O ARG A 24 8.951 5.905 6.881 1.00 0.00 O ATOM 325 CB ARG A 24 10.871 7.625 5.277 1.00 0.00 C ATOM 326 CG ARG A 24 12.171 7.682 4.374 1.00 0.00 C ATOM 327 CD ARG A 24 13.122 8.810 4.866 1.00 0.00 C ATOM 328 NE ARG A 24 14.332 8.845 4.025 1.00 0.00 N ATOM 329 CZ ARG A 24 15.298 9.759 4.213 1.00 0.00 C ATOM 330 NH1 ARG A 24 15.170 10.655 5.164 1.00 0.00 N ATOM 331 NH2 ARG A 24 16.346 9.747 3.459 1.00 0.00 N ATOM 0 H ARG A 24 9.323 7.937 3.273 1.00 0.00 H new ATOM 0 HA ARG A 24 10.393 5.578 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.380 8.598 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.150 7.411 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.687 6.722 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.893 7.859 3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.612 9.772 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.396 8.639 5.907 1.00 0.00 H new ATOM 0 HE ARG A 24 14.439 8.156 3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.340 10.655 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.901 11.351 5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.438 9.045 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.082 10.439 3.598 1.00 0.00 H new ATOM 345 N ALA A 25 7.507 6.702 5.311 1.00 0.00 N ATOM 346 CA ALA A 25 6.317 6.530 6.150 1.00 0.00 C ATOM 347 C ALA A 25 6.036 5.024 6.241 1.00 0.00 C ATOM 348 O ALA A 25 6.374 4.278 5.314 1.00 0.00 O ATOM 349 CB ALA A 25 5.104 7.289 5.547 1.00 0.00 C ATOM 0 H ALA A 25 7.319 7.090 4.387 1.00 0.00 H new ATOM 0 HA ALA A 25 6.485 6.944 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.232 7.148 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.336 8.352 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.891 6.901 4.551 1.00 0.00 H new ATOM 355 N THR A 26 5.445 4.606 7.351 1.00 0.00 N ATOM 356 CA THR A 26 5.103 3.205 7.601 1.00 0.00 C ATOM 357 C THR A 26 3.667 2.968 7.158 1.00 0.00 C ATOM 358 O THR A 26 2.916 3.919 6.884 1.00 0.00 O ATOM 359 CB THR A 26 5.278 2.884 9.140 1.00 0.00 C ATOM 360 OG1 THR A 26 4.346 3.650 9.890 1.00 0.00 O ATOM 361 CG2 THR A 26 6.736 3.236 9.626 1.00 0.00 C ATOM 0 H THR A 26 5.185 5.232 8.113 1.00 0.00 H new ATOM 0 HA THR A 26 5.764 2.546 7.038 1.00 0.00 H new ATOM 0 HB THR A 26 5.104 1.819 9.291 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.452 3.451 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.831 3.006 10.687 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.460 2.648 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.927 4.297 9.466 1.00 0.00 H new ATOM 369 N PHE A 27 3.288 1.693 7.117 1.00 0.00 N ATOM 370 CA PHE A 27 1.940 1.272 6.741 1.00 0.00 C ATOM 371 C PHE A 27 0.889 1.858 7.718 1.00 0.00 C ATOM 372 O PHE A 27 -0.183 2.296 7.296 1.00 0.00 O ATOM 373 CB PHE A 27 1.860 -0.291 6.744 1.00 0.00 C ATOM 374 CG PHE A 27 0.388 -0.728 6.385 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.076 -0.567 5.053 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.504 -1.227 7.378 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.393 -0.903 4.715 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.830 -1.557 7.031 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.273 -1.400 5.698 1.00 0.00 C ATOM 0 H PHE A 27 3.911 0.918 7.345 1.00 0.00 H new ATOM 0 HA PHE A 27 1.723 1.646 5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.563 -0.706 6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.141 -0.681 7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.591 -0.183 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.165 -1.352 8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.736 -0.781 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.508 -1.930 7.784 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.287 -1.661 5.432 1.00 0.00 H new ATOM 389 N SER A 28 1.204 1.824 9.023 1.00 0.00 N ATOM 390 CA SER A 28 0.287 2.329 10.080 1.00 0.00 C ATOM 391 C SER A 28 -0.048 3.819 9.841 1.00 0.00 C ATOM 392 O SER A 28 -1.208 4.223 9.962 1.00 0.00 O ATOM 393 CB SER A 28 0.956 2.165 11.472 1.00 0.00 C ATOM 394 OG SER A 28 0.065 2.637 12.479 1.00 0.00 O ATOM 0 H SER A 28 2.085 1.454 9.380 1.00 0.00 H new ATOM 0 HA SER A 28 -0.637 1.752 10.045 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.202 1.118 11.649 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.892 2.723 11.507 1.00 0.00 H new ATOM 0 HG SER A 28 0.483 2.534 13.360 1.00 0.00 H new ATOM 400 N GLU A 29 0.970 4.617 9.469 1.00 0.00 N ATOM 401 CA GLU A 29 0.782 6.063 9.183 1.00 0.00 C ATOM 402 C GLU A 29 -0.038 6.269 7.891 1.00 0.00 C ATOM 403 O GLU A 29 -0.975 7.094 7.849 1.00 0.00 O ATOM 404 CB GLU A 29 2.201 6.741 9.022 1.00 0.00 C ATOM 405 CG GLU A 29 2.991 6.730 10.399 1.00 0.00 C ATOM 406 CD GLU A 29 4.407 7.354 10.237 1.00 0.00 C ATOM 407 OE1 GLU A 29 5.075 7.013 9.277 1.00 0.00 O ATOM 408 OE2 GLU A 29 4.787 8.158 11.075 1.00 0.00 O ATOM 0 H GLU A 29 1.930 4.292 9.358 1.00 0.00 H new ATOM 0 HA GLU A 29 0.236 6.518 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.777 6.212 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.081 7.767 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.429 7.286 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.081 5.706 10.762 1.00 0.00 H new ATOM 415 N PHE A 30 0.312 5.502 6.846 1.00 0.00 N ATOM 416 CA PHE A 30 -0.389 5.571 5.552 1.00 0.00 C ATOM 417 C PHE A 30 -1.871 5.104 5.692 1.00 0.00 C ATOM 418 O PHE A 30 -2.797 5.743 5.166 1.00 0.00 O ATOM 419 CB PHE A 30 0.361 4.666 4.516 1.00 0.00 C ATOM 420 CG PHE A 30 -0.398 4.755 3.137 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.228 5.905 2.319 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.307 3.733 2.727 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.945 6.029 1.113 1.00 0.00 C ATOM 424 CE2 PHE A 30 -2.026 3.873 1.522 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.843 5.017 0.715 1.00 0.00 C ATOM 0 H PHE A 30 1.076 4.827 6.871 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.394 6.605 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.394 4.995 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.392 3.634 4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.453 6.686 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.444 2.854 3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.807 6.901 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.719 3.103 1.216 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.392 5.117 -0.210 1.00 0.00 H new ATOM 435 N ALA A 31 -2.056 3.956 6.390 1.00 0.00 N ATOM 436 CA ALA A 31 -3.395 3.348 6.613 1.00 0.00 C ATOM 437 C ALA A 31 -4.259 4.273 7.479 1.00 0.00 C ATOM 438 O ALA A 31 -5.438 4.419 7.223 1.00 0.00 O ATOM 439 CB ALA A 31 -3.229 1.955 7.313 1.00 0.00 C ATOM 0 H ALA A 31 -1.291 3.429 6.811 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.889 3.210 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.211 1.510 7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.634 1.298 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.727 2.087 8.271 1.00 0.00 H new ATOM 445 N ALA A 32 -3.633 4.898 8.497 1.00 0.00 N ATOM 446 CA ALA A 32 -4.335 5.828 9.425 1.00 0.00 C ATOM 447 C ALA A 32 -4.945 6.995 8.635 1.00 0.00 C ATOM 448 O ALA A 32 -6.068 7.454 8.934 1.00 0.00 O ATOM 449 CB ALA A 32 -3.323 6.395 10.486 1.00 0.00 C ATOM 0 H ALA A 32 -2.641 4.780 8.703 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.127 5.280 9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.845 7.074 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.897 5.571 11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.524 6.933 9.976 1.00 0.00 H new ATOM 455 N LYS A 33 -4.214 7.462 7.623 1.00 0.00 N ATOM 456 CA LYS A 33 -4.693 8.565 6.773 1.00 0.00 C ATOM 457 C LYS A 33 -5.862 8.115 5.842 1.00 0.00 C ATOM 458 O LYS A 33 -6.830 8.863 5.657 1.00 0.00 O ATOM 459 CB LYS A 33 -3.495 9.130 5.913 1.00 0.00 C ATOM 460 CG LYS A 33 -3.953 10.431 5.105 1.00 0.00 C ATOM 461 CD LYS A 33 -2.762 11.052 4.287 1.00 0.00 C ATOM 462 CE LYS A 33 -3.229 12.342 3.517 1.00 0.00 C ATOM 463 NZ LYS A 33 -2.078 12.886 2.795 1.00 0.00 N ATOM 0 H LYS A 33 -3.295 7.101 7.369 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.079 9.349 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.656 9.375 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.146 8.366 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.765 10.171 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.344 11.174 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.942 11.301 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.379 10.318 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.033 12.100 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.623 13.080 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.365 13.741 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.326 13.127 3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.724 12.177 2.122 1.00 0.00 H new ATOM 477 N HIS A 34 -5.708 6.915 5.219 1.00 0.00 N ATOM 478 CA HIS A 34 -6.712 6.370 4.253 1.00 0.00 C ATOM 479 C HIS A 34 -7.684 5.428 4.972 1.00 0.00 C ATOM 480 O HIS A 34 -8.510 4.795 4.339 1.00 0.00 O ATOM 481 CB HIS A 34 -5.959 5.619 3.092 1.00 0.00 C ATOM 482 CG HIS A 34 -5.168 6.627 2.265 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.887 7.027 2.620 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.482 7.336 1.133 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.484 7.935 1.717 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.418 8.158 0.787 1.00 0.00 N ATOM 0 H HIS A 34 -4.903 6.306 5.365 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.292 7.189 3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.288 4.866 3.506 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.675 5.095 2.459 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.350 6.692 3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.415 7.265 0.593 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.522 8.426 1.739 1.00 0.00 H new ATOM 494 N ALA A 35 -7.529 5.302 6.307 1.00 0.00 N ATOM 495 CA ALA A 35 -8.368 4.372 7.131 1.00 0.00 C ATOM 496 C ALA A 35 -9.858 4.619 6.877 1.00 0.00 C ATOM 497 O ALA A 35 -10.663 3.678 6.864 1.00 0.00 O ATOM 498 CB ALA A 35 -8.058 4.583 8.673 1.00 0.00 C ATOM 0 H ALA A 35 -6.838 5.824 6.845 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.124 3.349 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.672 3.903 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.004 4.379 8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.284 5.612 8.952 1.00 0.00 H new ATOM 504 N LYS A 36 -10.221 5.904 6.687 1.00 0.00 N ATOM 505 CA LYS A 36 -11.626 6.317 6.443 1.00 0.00 C ATOM 506 C LYS A 36 -12.048 6.006 5.012 1.00 0.00 C ATOM 507 O LYS A 36 -13.240 6.064 4.690 1.00 0.00 O ATOM 508 CB LYS A 36 -11.729 7.876 6.718 1.00 0.00 C ATOM 509 CG LYS A 36 -10.862 8.715 5.631 1.00 0.00 C ATOM 510 CD LYS A 36 -10.891 10.282 5.919 1.00 0.00 C ATOM 511 CE LYS A 36 -9.951 10.682 7.112 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.002 12.151 7.269 1.00 0.00 N ATOM 0 H LYS A 36 -9.559 6.680 6.697 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.292 5.765 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.772 8.188 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.370 8.096 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.830 8.364 5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.252 8.524 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.586 10.821 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.912 10.590 6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.272 10.190 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.929 10.356 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.385 12.438 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.678 12.605 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.979 12.445 7.471 1.00 0.00 H new ATOM 526 N ASP A 37 -11.054 5.689 4.140 1.00 0.00 N ATOM 527 CA ASP A 37 -11.340 5.380 2.719 1.00 0.00 C ATOM 528 C ASP A 37 -12.181 4.093 2.671 1.00 0.00 C ATOM 529 O ASP A 37 -11.952 3.180 3.469 1.00 0.00 O ATOM 530 CB ASP A 37 -10.000 5.212 1.888 1.00 0.00 C ATOM 531 CG ASP A 37 -10.286 5.271 0.368 1.00 0.00 C ATOM 532 OD1 ASP A 37 -11.055 4.452 -0.092 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.727 6.134 -0.300 1.00 0.00 O ATOM 0 H ASP A 37 -10.067 5.642 4.392 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.891 6.204 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.296 5.998 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.529 4.261 2.137 1.00 0.00 H new ATOM 538 N SER A 38 -13.169 4.048 1.768 1.00 0.00 N ATOM 539 CA SER A 38 -14.072 2.879 1.634 1.00 0.00 C ATOM 540 C SER A 38 -13.319 1.645 1.095 1.00 0.00 C ATOM 541 O SER A 38 -13.699 0.499 1.363 1.00 0.00 O ATOM 542 CB SER A 38 -15.238 3.253 0.692 1.00 0.00 C ATOM 543 OG SER A 38 -16.134 2.159 0.585 1.00 0.00 O ATOM 0 H SER A 38 -13.370 4.805 1.115 1.00 0.00 H new ATOM 0 HA SER A 38 -14.460 2.618 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.762 4.129 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.853 3.518 -0.293 1.00 0.00 H new ATOM 0 HG SER A 38 -16.873 2.399 -0.012 1.00 0.00 H new ATOM 549 N ARG A 39 -12.256 1.909 0.322 1.00 0.00 N ATOM 550 CA ARG A 39 -11.407 0.847 -0.281 1.00 0.00 C ATOM 551 C ARG A 39 -10.578 0.139 0.787 1.00 0.00 C ATOM 552 O ARG A 39 -10.101 -0.987 0.576 1.00 0.00 O ATOM 553 CB ARG A 39 -10.432 1.485 -1.352 1.00 0.00 C ATOM 554 CG ARG A 39 -11.259 2.083 -2.554 1.00 0.00 C ATOM 555 CD ARG A 39 -10.320 2.668 -3.667 1.00 0.00 C ATOM 556 NE ARG A 39 -11.155 3.242 -4.750 1.00 0.00 N ATOM 557 CZ ARG A 39 -11.864 2.483 -5.629 1.00 0.00 C ATOM 558 NH1 ARG A 39 -11.867 1.168 -5.548 1.00 0.00 N ATOM 559 NH2 ARG A 39 -12.566 3.069 -6.543 1.00 0.00 N ATOM 0 H ARG A 39 -11.954 2.856 0.092 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.063 0.119 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.833 2.268 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.738 0.729 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.892 1.306 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.921 2.867 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.670 3.435 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.674 1.885 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.200 4.257 -4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.331 0.701 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.405 0.617 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.583 4.087 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.103 2.513 -7.209 1.00 0.00 H new ATOM 573 N PHE A 40 -10.358 0.831 1.919 1.00 0.00 N ATOM 574 CA PHE A 40 -9.545 0.275 2.998 1.00 0.00 C ATOM 575 C PHE A 40 -10.263 -0.924 3.678 1.00 0.00 C ATOM 576 O PHE A 40 -9.695 -2.014 3.816 1.00 0.00 O ATOM 577 CB PHE A 40 -9.251 1.399 4.049 1.00 0.00 C ATOM 578 CG PHE A 40 -8.245 0.850 5.102 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.869 0.803 4.776 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.689 0.354 6.364 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.952 0.281 5.679 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.755 -0.180 7.273 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.385 -0.212 6.933 1.00 0.00 C ATOM 0 H PHE A 40 -10.729 1.763 2.103 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.608 -0.093 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.838 2.279 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.175 1.711 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.530 1.175 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.737 0.388 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.903 0.251 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.086 -0.564 8.227 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.666 -0.614 7.631 1.00 0.00 H new ATOM 593 N LYS A 41 -11.513 -0.674 4.103 1.00 0.00 N ATOM 594 CA LYS A 41 -12.350 -1.688 4.799 1.00 0.00 C ATOM 595 C LYS A 41 -12.879 -2.744 3.804 1.00 0.00 C ATOM 596 O LYS A 41 -13.375 -3.794 4.214 1.00 0.00 O ATOM 597 CB LYS A 41 -13.578 -0.963 5.517 1.00 0.00 C ATOM 598 CG LYS A 41 -14.634 -0.408 4.447 1.00 0.00 C ATOM 599 CD LYS A 41 -15.869 0.315 5.138 1.00 0.00 C ATOM 600 CE LYS A 41 -16.927 0.775 4.045 1.00 0.00 C ATOM 601 NZ LYS A 41 -17.420 -0.437 3.328 1.00 0.00 N ATOM 0 H LYS A 41 -11.976 0.226 3.979 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.734 -2.195 5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.073 -1.663 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.210 -0.139 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.135 0.292 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.996 -1.234 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.343 -0.362 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.522 1.180 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.757 1.300 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.468 1.471 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.318 -0.217 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.716 -0.733 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.570 -1.207 4.011 1.00 0.00 H new ATOM 615 N ALA A 42 -12.795 -2.427 2.477 1.00 0.00 N ATOM 616 CA ALA A 42 -13.291 -3.328 1.396 1.00 0.00 C ATOM 617 C ALA A 42 -12.476 -4.630 1.402 1.00 0.00 C ATOM 618 O ALA A 42 -13.035 -5.722 1.176 1.00 0.00 O ATOM 619 CB ALA A 42 -13.170 -2.610 0.003 1.00 0.00 C ATOM 0 H ALA A 42 -12.389 -1.556 2.134 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.340 -3.566 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.534 -3.274 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.766 -1.697 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.126 -2.360 -0.188 1.00 0.00 H new ATOM 625 N ILE A 43 -11.168 -4.504 1.685 1.00 0.00 N ATOM 626 CA ILE A 43 -10.261 -5.658 1.758 1.00 0.00 C ATOM 627 C ILE A 43 -10.325 -6.189 3.202 1.00 0.00 C ATOM 628 O ILE A 43 -10.035 -5.463 4.163 1.00 0.00 O ATOM 629 CB ILE A 43 -8.773 -5.223 1.408 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.723 -4.592 -0.085 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.788 -6.492 1.522 1.00 0.00 C ATOM 632 CD1 ILE A 43 -7.376 -3.852 -0.358 1.00 0.00 C ATOM 0 H ILE A 43 -10.715 -3.608 1.868 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.559 -6.424 1.042 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.442 -4.465 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.857 -5.386 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.552 -3.896 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.770 -6.185 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.817 -6.885 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.109 -7.266 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.383 -3.444 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.255 -3.041 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.548 -4.554 -0.256 1.00 0.00 H new ATOM 644 N GLU A 44 -10.702 -7.463 3.332 1.00 0.00 N ATOM 645 CA GLU A 44 -10.803 -8.149 4.622 1.00 0.00 C ATOM 646 C GLU A 44 -9.416 -8.479 5.196 1.00 0.00 C ATOM 647 O GLU A 44 -9.167 -8.310 6.398 1.00 0.00 O ATOM 648 CB GLU A 44 -11.637 -9.484 4.374 1.00 0.00 C ATOM 649 CG GLU A 44 -13.136 -9.148 3.947 1.00 0.00 C ATOM 650 CD GLU A 44 -13.888 -8.383 5.084 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.905 -8.888 6.187 1.00 0.00 O ATOM 652 OE2 GLU A 44 -14.399 -7.301 4.815 1.00 0.00 O ATOM 0 H GLU A 44 -10.948 -8.053 2.537 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.296 -7.506 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.157 -10.078 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.640 -10.089 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.132 -8.544 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.666 -10.071 3.713 1.00 0.00 H new ATOM 659 N LYS A 45 -8.529 -9.015 4.310 1.00 0.00 N ATOM 660 CA LYS A 45 -7.171 -9.441 4.708 1.00 0.00 C ATOM 661 C LYS A 45 -6.248 -8.252 4.797 1.00 0.00 C ATOM 662 O LYS A 45 -5.802 -7.698 3.786 1.00 0.00 O ATOM 663 CB LYS A 45 -6.602 -10.464 3.647 1.00 0.00 C ATOM 664 CG LYS A 45 -7.469 -11.793 3.642 1.00 0.00 C ATOM 665 CD LYS A 45 -6.893 -12.840 2.585 1.00 0.00 C ATOM 666 CE LYS A 45 -7.733 -14.167 2.608 1.00 0.00 C ATOM 667 NZ LYS A 45 -9.136 -13.836 2.236 1.00 0.00 N ATOM 0 H LYS A 45 -8.737 -9.159 3.322 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.230 -9.917 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.611 -10.012 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.564 -10.700 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.469 -12.237 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.505 -11.556 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.916 -12.406 1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.850 -13.059 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.316 -14.893 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.699 -14.621 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.642 -14.708 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.611 -13.383 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.136 -13.186 1.424 1.00 0.00 H new ATOM 681 N MET A 46 -5.919 -7.897 6.029 1.00 0.00 N ATOM 682 CA MET A 46 -5.005 -6.802 6.298 1.00 0.00 C ATOM 683 C MET A 46 -3.578 -7.171 5.825 1.00 0.00 C ATOM 684 O MET A 46 -2.801 -6.311 5.396 1.00 0.00 O ATOM 685 CB MET A 46 -5.037 -6.433 7.825 1.00 0.00 C ATOM 686 CG MET A 46 -4.091 -5.186 8.122 1.00 0.00 C ATOM 687 SD MET A 46 -4.221 -4.696 9.879 1.00 0.00 S ATOM 688 CE MET A 46 -2.957 -5.784 10.609 1.00 0.00 C ATOM 0 H MET A 46 -6.277 -8.358 6.866 1.00 0.00 H new ATOM 0 HA MET A 46 -5.321 -5.921 5.739 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.058 -6.201 8.127 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.716 -7.289 8.418 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.058 -5.439 7.883 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.370 -4.349 7.482 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.906 -5.612 11.684 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.220 -6.825 10.420 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.987 -5.567 10.161 1.00 0.00 H new ATOM 698 N LYS A 47 -3.234 -8.455 5.972 1.00 0.00 N ATOM 699 CA LYS A 47 -1.898 -8.983 5.621 1.00 0.00 C ATOM 700 C LYS A 47 -1.589 -8.745 4.138 1.00 0.00 C ATOM 701 O LYS A 47 -0.435 -8.474 3.761 1.00 0.00 O ATOM 702 CB LYS A 47 -1.867 -10.532 5.906 1.00 0.00 C ATOM 703 CG LYS A 47 -2.021 -10.830 7.457 1.00 0.00 C ATOM 704 CD LYS A 47 -1.996 -12.399 7.751 1.00 0.00 C ATOM 705 CE LYS A 47 -0.548 -13.007 7.582 1.00 0.00 C ATOM 706 NZ LYS A 47 -0.584 -14.424 7.995 1.00 0.00 N ATOM 0 H LYS A 47 -3.870 -9.164 6.338 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.150 -8.467 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.671 -11.022 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.930 -10.953 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.215 -10.342 8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.957 -10.405 7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.351 -12.584 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.684 -12.906 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.220 -12.923 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.168 -12.454 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.363 -14.840 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.882 -14.488 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.259 -14.943 7.397 1.00 0.00 H new ATOM 720 N ASP A 48 -2.628 -8.872 3.296 1.00 0.00 N ATOM 721 CA ASP A 48 -2.467 -8.679 1.848 1.00 0.00 C ATOM 722 C ASP A 48 -2.046 -7.223 1.563 1.00 0.00 C ATOM 723 O ASP A 48 -1.202 -6.972 0.719 1.00 0.00 O ATOM 724 CB ASP A 48 -3.803 -9.030 1.098 1.00 0.00 C ATOM 725 CG ASP A 48 -3.603 -8.961 -0.433 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.840 -9.767 -0.940 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.200 -8.101 -1.067 1.00 0.00 O ATOM 0 H ASP A 48 -3.577 -9.105 3.590 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.688 -9.348 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.134 -10.029 1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.588 -8.336 1.399 1.00 0.00 H new ATOM 732 N ARG A 49 -2.625 -6.268 2.311 1.00 0.00 N ATOM 733 CA ARG A 49 -2.279 -4.826 2.141 1.00 0.00 C ATOM 734 C ARG A 49 -0.831 -4.572 2.511 1.00 0.00 C ATOM 735 O ARG A 49 -0.132 -3.766 1.870 1.00 0.00 O ATOM 736 CB ARG A 49 -3.224 -3.927 3.017 1.00 0.00 C ATOM 737 CG ARG A 49 -4.685 -3.955 2.428 1.00 0.00 C ATOM 738 CD ARG A 49 -5.664 -3.083 3.271 1.00 0.00 C ATOM 739 NE ARG A 49 -5.855 -3.704 4.596 1.00 0.00 N ATOM 740 CZ ARG A 49 -6.754 -3.254 5.488 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.520 -2.262 5.174 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.874 -3.831 6.651 1.00 0.00 N ATOM 0 H ARG A 49 -3.324 -6.453 3.030 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.419 -4.567 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.230 -4.285 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.850 -2.903 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.670 -3.594 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.046 -4.983 2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.266 -2.075 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.621 -2.992 2.758 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.280 -4.509 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.440 -1.827 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.205 -1.914 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.284 -4.628 6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.558 -3.485 7.324 1.00 0.00 H new ATOM 756 N GLU A 50 -0.381 -5.248 3.583 1.00 0.00 N ATOM 757 CA GLU A 50 1.001 -5.086 4.073 1.00 0.00 C ATOM 758 C GLU A 50 2.001 -5.577 2.995 1.00 0.00 C ATOM 759 O GLU A 50 3.049 -4.966 2.784 1.00 0.00 O ATOM 760 CB GLU A 50 1.205 -5.894 5.415 1.00 0.00 C ATOM 761 CG GLU A 50 2.638 -5.585 6.054 1.00 0.00 C ATOM 762 CD GLU A 50 2.841 -6.366 7.373 1.00 0.00 C ATOM 763 OE1 GLU A 50 3.144 -7.547 7.297 1.00 0.00 O ATOM 764 OE2 GLU A 50 2.694 -5.766 8.431 1.00 0.00 O ATOM 0 H GLU A 50 -0.946 -5.904 4.122 1.00 0.00 H new ATOM 0 HA GLU A 50 1.184 -4.030 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.421 -5.631 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.112 -6.962 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.421 -5.853 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.732 -4.516 6.243 1.00 0.00 H new ATOM 771 N ALA A 51 1.669 -6.724 2.339 1.00 0.00 N ATOM 772 CA ALA A 51 2.541 -7.319 1.299 1.00 0.00 C ATOM 773 C ALA A 51 2.767 -6.307 0.155 1.00 0.00 C ATOM 774 O ALA A 51 3.906 -6.090 -0.299 1.00 0.00 O ATOM 775 CB ALA A 51 1.857 -8.626 0.733 1.00 0.00 C ATOM 0 H ALA A 51 0.811 -7.247 2.513 1.00 0.00 H new ATOM 0 HA ALA A 51 3.506 -7.572 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.495 -9.068 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.713 -9.341 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.890 -8.372 0.298 1.00 0.00 H new ATOM 781 N LEU A 52 1.654 -5.682 -0.295 1.00 0.00 N ATOM 782 CA LEU A 52 1.697 -4.658 -1.379 1.00 0.00 C ATOM 783 C LEU A 52 2.465 -3.442 -0.992 1.00 0.00 C ATOM 784 O LEU A 52 3.227 -2.905 -1.786 1.00 0.00 O ATOM 785 CB LEU A 52 0.232 -4.272 -1.824 1.00 0.00 C ATOM 786 CG LEU A 52 -0.351 -5.307 -2.933 1.00 0.00 C ATOM 787 CD1 LEU A 52 0.421 -5.164 -4.339 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.293 -6.815 -2.414 1.00 0.00 C ATOM 0 H LEU A 52 0.719 -5.863 0.069 1.00 0.00 H new ATOM 0 HA LEU A 52 2.224 -5.106 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.423 -4.265 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.230 -3.261 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.397 -5.045 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.005 -5.871 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.301 -4.149 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.481 -5.375 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.691 -7.479 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.741 -7.086 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.889 -6.911 -1.507 1.00 0.00 H new ATOM 800 N PHE A 53 2.252 -2.996 0.238 1.00 0.00 N ATOM 801 CA PHE A 53 2.942 -1.817 0.760 1.00 0.00 C ATOM 802 C PHE A 53 4.474 -2.039 0.715 1.00 0.00 C ATOM 803 O PHE A 53 5.223 -1.175 0.257 1.00 0.00 O ATOM 804 CB PHE A 53 2.467 -1.592 2.229 1.00 0.00 C ATOM 805 CG PHE A 53 3.425 -0.561 2.919 1.00 0.00 C ATOM 806 CD1 PHE A 53 3.374 0.801 2.558 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.405 -1.000 3.864 1.00 0.00 C ATOM 808 CE1 PHE A 53 4.273 1.711 3.126 1.00 0.00 C ATOM 809 CE2 PHE A 53 5.305 -0.081 4.416 1.00 0.00 C ATOM 810 CZ PHE A 53 5.237 1.272 4.054 1.00 0.00 C ATOM 0 H PHE A 53 1.606 -3.431 0.897 1.00 0.00 H new ATOM 0 HA PHE A 53 2.710 -0.940 0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.442 -1.221 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.471 -2.535 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.641 1.142 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.450 -2.040 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.227 2.754 2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.052 -0.414 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.927 1.980 4.489 1.00 0.00 H new ATOM 820 N ASN A 54 4.919 -3.212 1.211 1.00 0.00 N ATOM 821 CA ASN A 54 6.370 -3.549 1.249 1.00 0.00 C ATOM 822 C ASN A 54 6.932 -3.611 -0.176 1.00 0.00 C ATOM 823 O ASN A 54 8.044 -3.130 -0.451 1.00 0.00 O ATOM 824 CB ASN A 54 6.570 -4.939 1.952 1.00 0.00 C ATOM 825 CG ASN A 54 6.226 -4.855 3.455 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.464 -3.832 4.104 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.682 -5.876 4.045 1.00 0.00 N ATOM 0 H ASN A 54 4.309 -3.938 1.588 1.00 0.00 H new ATOM 0 HA ASN A 54 6.899 -2.778 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.939 -5.687 1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.602 -5.267 1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.454 -5.829 5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.482 -6.724 3.515 1.00 0.00 H new ATOM 834 N GLU A 55 6.138 -4.213 -1.086 1.00 0.00 N ATOM 835 CA GLU A 55 6.536 -4.349 -2.501 1.00 0.00 C ATOM 836 C GLU A 55 6.549 -2.982 -3.186 1.00 0.00 C ATOM 837 O GLU A 55 7.412 -2.705 -4.023 1.00 0.00 O ATOM 838 CB GLU A 55 5.541 -5.325 -3.265 1.00 0.00 C ATOM 839 CG GLU A 55 6.047 -5.612 -4.762 1.00 0.00 C ATOM 840 CD GLU A 55 5.114 -6.607 -5.495 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.916 -6.391 -5.462 1.00 0.00 O ATOM 842 OE2 GLU A 55 5.621 -7.562 -6.071 1.00 0.00 O ATOM 0 H GLU A 55 5.224 -4.610 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 55 7.541 -4.770 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.459 -6.265 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.545 -4.884 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.091 -4.676 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.060 -6.014 -4.734 1.00 0.00 H new ATOM 849 N PHE A 56 5.523 -2.153 -2.871 1.00 0.00 N ATOM 850 CA PHE A 56 5.365 -0.830 -3.499 1.00 0.00 C ATOM 851 C PHE A 56 6.573 0.060 -3.191 1.00 0.00 C ATOM 852 O PHE A 56 7.137 0.684 -4.093 1.00 0.00 O ATOM 853 CB PHE A 56 4.049 -0.152 -2.954 1.00 0.00 C ATOM 854 CG PHE A 56 3.894 1.272 -3.611 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.422 1.375 -4.945 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.281 2.457 -2.910 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.334 2.629 -5.571 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.180 3.711 -3.546 1.00 0.00 C ATOM 859 CZ PHE A 56 3.709 3.798 -4.875 1.00 0.00 C ATOM 0 H PHE A 56 4.800 -2.381 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 56 5.296 -0.955 -4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.182 -0.771 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.093 -0.063 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.129 0.485 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.649 2.391 -1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.978 2.699 -6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.464 4.608 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.636 4.761 -5.359 1.00 0.00 H new ATOM 869 N VAL A 57 6.956 0.109 -1.896 1.00 0.00 N ATOM 870 CA VAL A 57 8.113 0.928 -1.445 1.00 0.00 C ATOM 871 C VAL A 57 9.412 0.397 -2.072 1.00 0.00 C ATOM 872 O VAL A 57 10.250 1.175 -2.553 1.00 0.00 O ATOM 873 CB VAL A 57 8.215 0.878 0.153 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.581 1.553 0.680 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.949 1.612 0.797 1.00 0.00 C ATOM 0 H VAL A 57 6.489 -0.402 -1.147 1.00 0.00 H new ATOM 0 HA VAL A 57 7.967 1.960 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 57 8.224 -0.168 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.616 1.501 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.435 1.019 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.617 2.596 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.022 1.576 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.925 2.651 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.036 1.110 0.478 1.00 0.00 H new ATOM 885 N ALA A 58 9.575 -0.952 -2.039 1.00 0.00 N ATOM 886 CA ALA A 58 10.782 -1.607 -2.586 1.00 0.00 C ATOM 887 C ALA A 58 10.870 -1.394 -4.112 1.00 0.00 C ATOM 888 O ALA A 58 11.948 -1.129 -4.647 1.00 0.00 O ATOM 889 CB ALA A 58 10.743 -3.145 -2.254 1.00 0.00 C ATOM 0 H ALA A 58 8.891 -1.597 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 58 11.665 -1.161 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.633 -3.627 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.714 -3.283 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.855 -3.591 -2.701 1.00 0.00 H new ATOM 895 N ALA A 59 9.704 -1.489 -4.793 1.00 0.00 N ATOM 896 CA ALA A 59 9.612 -1.293 -6.264 1.00 0.00 C ATOM 897 C ALA A 59 9.783 0.199 -6.647 1.00 0.00 C ATOM 898 O ALA A 59 10.455 0.526 -7.642 1.00 0.00 O ATOM 899 CB ALA A 59 8.208 -1.810 -6.759 1.00 0.00 C ATOM 0 H ALA A 59 8.811 -1.701 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 59 10.415 -1.855 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.129 -1.671 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.105 -2.869 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.417 -1.248 -6.262 1.00 0.00 H new ATOM 905 N ALA A 60 9.125 1.097 -5.859 1.00 0.00 N ATOM 906 CA ALA A 60 9.159 2.566 -6.122 1.00 0.00 C ATOM 907 C ALA A 60 10.562 3.121 -5.907 1.00 0.00 C ATOM 908 O ALA A 60 11.037 3.967 -6.679 1.00 0.00 O ATOM 909 CB ALA A 60 8.159 3.299 -5.146 1.00 0.00 C ATOM 0 H ALA A 60 8.570 0.833 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 60 8.867 2.738 -7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.184 4.372 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.149 2.924 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.453 3.108 -4.114 1.00 0.00 H new ATOM 915 N ARG A 61 11.220 2.642 -4.824 1.00 0.00 N ATOM 916 CA ARG A 61 12.584 3.114 -4.488 1.00 0.00 C ATOM 917 C ARG A 61 13.592 2.589 -5.499 1.00 0.00 C ATOM 918 O ARG A 61 14.500 3.314 -5.931 1.00 0.00 O ATOM 919 CB ARG A 61 12.975 2.658 -3.029 1.00 0.00 C ATOM 920 CG ARG A 61 14.414 3.222 -2.615 1.00 0.00 C ATOM 921 CD ARG A 61 14.766 2.816 -1.155 1.00 0.00 C ATOM 922 NE ARG A 61 14.879 1.335 -1.070 1.00 0.00 N ATOM 923 CZ ARG A 61 15.089 0.693 0.096 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.178 1.380 1.201 1.00 0.00 N ATOM 925 NH2 ARG A 61 15.190 -0.606 0.119 1.00 0.00 N ATOM 0 H ARG A 61 10.840 1.946 -4.182 1.00 0.00 H new ATOM 0 HA ARG A 61 12.595 4.203 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.225 3.011 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.978 1.569 -2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.171 2.836 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.425 4.308 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.704 3.282 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.997 3.173 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 61 14.794 0.786 -1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.089 2.396 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.337 0.901 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.110 -1.139 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.349 -1.090 1.003 1.00 0.00 H new TER 939 ARG A 61