USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 25 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 26 ASN : amide:sc= -0.401 K(o=0.77,f=-6.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.049 K(o=-0.049,f=-1.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.5) USER MOD Single : A 34 THR OG1 : rot 94:sc= 1.04 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 44 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.3!) USER MOD Single : A 50 GLN :FLIP amide:sc= 0.116 F(o=-0.86,f=0.12) USER MOD Single : A 51 SER OG : rot 103:sc= 0.297 USER MOD Single : A 52 GLN : amide:sc= -0.0118 K(o=-0.012,f=-0.9) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.33 USER MOD Single : A 71 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.9!) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.0478 (180deg=-0.433) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.857 X(o=-0.86,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.305 -14.011 6.698 1.00 0.00 N ATOM 24 CA GLU A 4 3.843 -12.697 7.011 1.00 0.00 C ATOM 25 C GLU A 4 4.556 -12.112 5.789 1.00 0.00 C ATOM 26 O GLU A 4 4.724 -10.898 5.688 1.00 0.00 O ATOM 27 CB GLU A 4 4.782 -12.762 8.216 1.00 0.00 C ATOM 28 CG GLU A 4 4.320 -11.811 9.322 1.00 0.00 C ATOM 29 CD GLU A 4 3.126 -12.392 10.081 1.00 0.00 C ATOM 30 OE1 GLU A 4 3.362 -13.311 10.894 1.00 0.00 O ATOM 31 OE2 GLU A 4 2.003 -11.903 9.831 1.00 0.00 O ATOM 0 HA GLU A 4 3.015 -12.039 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.818 -13.782 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.795 -12.502 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.141 -11.627 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.047 -10.849 8.889 1.00 0.00 H new ATOM 38 N ALA A 5 4.956 -13.003 4.895 1.00 0.00 N ATOM 39 CA ALA A 5 5.648 -12.590 3.685 1.00 0.00 C ATOM 40 C ALA A 5 4.732 -11.679 2.865 1.00 0.00 C ATOM 41 O ALA A 5 5.187 -10.998 1.948 1.00 0.00 O ATOM 42 CB ALA A 5 6.090 -13.827 2.902 1.00 0.00 C ATOM 0 H ALA A 5 4.815 -14.009 4.983 1.00 0.00 H new ATOM 0 HA ALA A 5 6.545 -12.022 3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.609 -13.517 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.761 -14.426 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.215 -14.420 2.635 1.00 0.00 H new ATOM 48 N ILE A 6 3.457 -11.696 3.225 1.00 0.00 N ATOM 49 CA ILE A 6 2.474 -10.879 2.535 1.00 0.00 C ATOM 50 C ILE A 6 2.419 -9.495 3.184 1.00 0.00 C ATOM 51 O ILE A 6 2.427 -8.478 2.490 1.00 0.00 O ATOM 52 CB ILE A 6 1.120 -11.591 2.493 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.922 -12.315 1.160 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.021 -10.617 2.792 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.525 -12.785 1.001 1.00 0.00 C ATOM 0 H ILE A 6 3.082 -12.263 3.986 1.00 0.00 H new ATOM 0 HA ILE A 6 2.765 -10.732 1.495 1.00 0.00 H new ATOM 0 HB ILE A 6 1.109 -12.350 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.184 -11.649 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.594 -13.171 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.972 -11.148 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.117 -10.188 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.023 -9.819 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.638 -13.296 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.776 -13.470 1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.193 -11.924 1.033 1.00 0.00 H new ATOM 67 N LYS A 7 2.368 -9.498 4.508 1.00 0.00 N ATOM 68 CA LYS A 7 2.313 -8.255 5.258 1.00 0.00 C ATOM 69 C LYS A 7 3.663 -7.541 5.154 1.00 0.00 C ATOM 70 O LYS A 7 3.714 -6.325 4.980 1.00 0.00 O ATOM 71 CB LYS A 7 1.866 -8.516 6.697 1.00 0.00 C ATOM 72 CG LYS A 7 1.038 -7.348 7.236 1.00 0.00 C ATOM 73 CD LYS A 7 1.266 -7.160 8.736 1.00 0.00 C ATOM 74 CE LYS A 7 1.986 -5.840 9.020 1.00 0.00 C ATOM 75 NZ LYS A 7 3.449 -6.051 9.088 1.00 0.00 N ATOM 0 H LYS A 7 2.364 -10.342 5.081 1.00 0.00 H new ATOM 0 HA LYS A 7 1.564 -7.587 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.278 -9.433 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.740 -8.670 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.305 -6.433 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.020 -7.529 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.309 -7.176 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.855 -7.991 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.753 -5.117 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.629 -5.420 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.922 -5.145 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.668 -6.725 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.787 -6.431 8.181 1.00 0.00 H new ATOM 89 N ASN A 8 4.722 -8.329 5.264 1.00 0.00 N ATOM 90 CA ASN A 8 6.068 -7.788 5.184 1.00 0.00 C ATOM 91 C ASN A 8 6.357 -7.360 3.744 1.00 0.00 C ATOM 92 O ASN A 8 6.834 -6.252 3.505 1.00 0.00 O ATOM 93 CB ASN A 8 7.108 -8.837 5.582 1.00 0.00 C ATOM 94 CG ASN A 8 8.420 -8.175 6.008 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.536 -6.963 6.087 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.397 -9.034 6.279 1.00 0.00 N ATOM 0 H ASN A 8 4.675 -9.338 5.408 1.00 0.00 H new ATOM 0 HA ASN A 8 6.131 -6.940 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.721 -9.445 6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.291 -9.509 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.311 -8.690 6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.233 -10.037 6.193 1.00 0.00 H new ATOM 103 N GLY A 9 6.054 -8.262 2.820 1.00 0.00 N ATOM 104 CA GLY A 9 6.275 -7.991 1.410 1.00 0.00 C ATOM 105 C GLY A 9 5.561 -6.709 0.979 1.00 0.00 C ATOM 106 O GLY A 9 6.139 -5.876 0.283 1.00 0.00 O ATOM 0 H GLY A 9 5.658 -9.180 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.344 -7.898 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.915 -8.830 0.814 1.00 0.00 H new ATOM 110 N VAL A 10 4.314 -6.590 1.410 1.00 0.00 N ATOM 111 CA VAL A 10 3.514 -5.424 1.077 1.00 0.00 C ATOM 112 C VAL A 10 4.229 -4.164 1.570 1.00 0.00 C ATOM 113 O VAL A 10 4.387 -3.202 0.819 1.00 0.00 O ATOM 114 CB VAL A 10 2.104 -5.574 1.653 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.468 -4.206 1.907 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.226 -6.425 0.735 1.00 0.00 C ATOM 0 H VAL A 10 3.838 -7.283 1.988 1.00 0.00 H new ATOM 0 HA VAL A 10 3.401 -5.334 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 10 2.185 -6.089 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.467 -4.341 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.078 -3.647 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.406 -3.654 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.229 -6.516 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.155 -5.950 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.667 -7.416 0.626 1.00 0.00 H new ATOM 126 N LEU A 11 4.643 -4.210 2.827 1.00 0.00 N ATOM 127 CA LEU A 11 5.338 -3.084 3.428 1.00 0.00 C ATOM 128 C LEU A 11 6.694 -2.903 2.742 1.00 0.00 C ATOM 129 O LEU A 11 7.088 -1.781 2.426 1.00 0.00 O ATOM 130 CB LEU A 11 5.436 -3.262 4.944 1.00 0.00 C ATOM 131 CG LEU A 11 5.130 -2.021 5.786 1.00 0.00 C ATOM 132 CD1 LEU A 11 3.869 -1.315 5.283 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.034 -2.376 7.271 1.00 0.00 C ATOM 0 H LEU A 11 4.511 -5.009 3.447 1.00 0.00 H new ATOM 0 HA LEU A 11 4.776 -2.163 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.752 -4.057 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.443 -3.602 5.186 1.00 0.00 H new ATOM 0 HG LEU A 11 5.958 -1.320 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.674 -0.437 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.013 -1.008 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.021 -1.997 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.816 -1.477 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.237 -3.104 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.981 -2.800 7.606 1.00 0.00 H new ATOM 145 N ASP A 12 7.370 -4.022 2.532 1.00 0.00 N ATOM 146 CA ASP A 12 8.673 -4.000 1.890 1.00 0.00 C ATOM 147 C ASP A 12 8.536 -3.400 0.489 1.00 0.00 C ATOM 148 O ASP A 12 9.505 -2.887 -0.067 1.00 0.00 O ATOM 149 CB ASP A 12 9.239 -5.415 1.745 1.00 0.00 C ATOM 150 CG ASP A 12 10.758 -5.522 1.899 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.396 -4.450 1.987 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.246 -6.672 1.923 1.00 0.00 O ATOM 0 H ASP A 12 7.040 -4.951 2.795 1.00 0.00 H new ATOM 0 HA ASP A 12 9.344 -3.404 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.767 -6.057 2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.960 -5.803 0.766 1.00 0.00 H new ATOM 157 N ILE A 13 7.325 -3.485 -0.040 1.00 0.00 N ATOM 158 CA ILE A 13 7.049 -2.957 -1.366 1.00 0.00 C ATOM 159 C ILE A 13 6.488 -1.539 -1.238 1.00 0.00 C ATOM 160 O ILE A 13 6.468 -0.787 -2.211 1.00 0.00 O ATOM 161 CB ILE A 13 6.139 -3.910 -2.143 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.959 -4.966 -2.888 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.210 -3.138 -3.083 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.248 -6.321 -2.878 1.00 0.00 C ATOM 0 H ILE A 13 6.523 -3.911 0.425 1.00 0.00 H new ATOM 0 HA ILE A 13 7.968 -2.886 -1.947 1.00 0.00 H new ATOM 0 HB ILE A 13 5.508 -4.437 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.123 -4.645 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.941 -5.063 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.574 -3.839 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.588 -2.458 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.806 -2.566 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.852 -7.053 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.107 -6.651 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.277 -6.226 -3.364 1.00 0.00 H new ATOM 176 N LEU A 14 6.047 -1.218 -0.031 1.00 0.00 N ATOM 177 CA LEU A 14 5.488 0.096 0.236 1.00 0.00 C ATOM 178 C LEU A 14 6.609 1.045 0.666 1.00 0.00 C ATOM 179 O LEU A 14 6.684 2.178 0.194 1.00 0.00 O ATOM 180 CB LEU A 14 4.345 -0.003 1.247 1.00 0.00 C ATOM 181 CG LEU A 14 2.951 0.352 0.722 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.097 -0.904 0.539 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.270 1.381 1.627 1.00 0.00 C ATOM 0 H LEU A 14 6.065 -1.845 0.773 1.00 0.00 H new ATOM 0 HA LEU A 14 5.047 0.513 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.317 -1.021 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.572 0.652 2.088 1.00 0.00 H new ATOM 0 HG LEU A 14 3.063 0.811 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.112 -0.623 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.579 -1.571 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.990 -1.414 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.282 1.616 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.171 0.972 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.872 2.289 1.662 1.00 0.00 H new ATOM 195 N ALA A 15 7.452 0.546 1.559 1.00 0.00 N ATOM 196 CA ALA A 15 8.566 1.335 2.058 1.00 0.00 C ATOM 197 C ALA A 15 9.644 1.428 0.977 1.00 0.00 C ATOM 198 O ALA A 15 10.390 2.405 0.922 1.00 0.00 O ATOM 199 CB ALA A 15 9.090 0.714 3.354 1.00 0.00 C ATOM 0 H ALA A 15 7.386 -0.394 1.949 1.00 0.00 H new ATOM 0 HA ALA A 15 8.245 2.350 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.926 1.305 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.294 0.699 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.425 -0.305 3.160 1.00 0.00 H new ATOM 205 N ASP A 16 9.694 0.399 0.146 1.00 0.00 N ATOM 206 CA ASP A 16 10.669 0.351 -0.930 1.00 0.00 C ATOM 207 C ASP A 16 10.218 1.276 -2.064 1.00 0.00 C ATOM 208 O ASP A 16 11.007 1.620 -2.941 1.00 0.00 O ATOM 209 CB ASP A 16 10.797 -1.064 -1.498 1.00 0.00 C ATOM 210 CG ASP A 16 11.636 -1.177 -2.772 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.484 -0.282 -2.974 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.410 -2.157 -3.515 1.00 0.00 O ATOM 0 H ASP A 16 9.074 -0.410 0.196 1.00 0.00 H new ATOM 0 HA ASP A 16 11.631 0.665 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.235 -1.707 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.798 -1.448 -1.704 1.00 0.00 H new ATOM 217 N LEU A 17 8.948 1.651 -2.007 1.00 0.00 N ATOM 218 CA LEU A 17 8.382 2.529 -3.017 1.00 0.00 C ATOM 219 C LEU A 17 8.611 3.985 -2.607 1.00 0.00 C ATOM 220 O LEU A 17 9.220 4.755 -3.350 1.00 0.00 O ATOM 221 CB LEU A 17 6.912 2.183 -3.265 1.00 0.00 C ATOM 222 CG LEU A 17 6.550 1.778 -4.695 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.717 0.495 -4.706 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.850 2.923 -5.429 1.00 0.00 C ATOM 0 H LEU A 17 8.296 1.363 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 17 8.885 2.384 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.633 1.369 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.305 3.045 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 17 7.473 1.567 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.473 0.229 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.287 -0.313 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.797 0.654 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.604 2.608 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.935 3.189 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.512 3.788 -5.468 1.00 0.00 H new ATOM 236 N THR A 18 8.109 4.320 -1.427 1.00 0.00 N ATOM 237 CA THR A 18 8.252 5.671 -0.910 1.00 0.00 C ATOM 238 C THR A 18 9.722 6.094 -0.923 1.00 0.00 C ATOM 239 O THR A 18 10.030 7.276 -1.077 1.00 0.00 O ATOM 240 CB THR A 18 7.619 5.712 0.482 1.00 0.00 C ATOM 241 OG1 THR A 18 8.355 4.746 1.227 1.00 0.00 O ATOM 242 CG2 THR A 18 6.185 5.177 0.491 1.00 0.00 C ATOM 0 H THR A 18 7.603 3.680 -0.815 1.00 0.00 H new ATOM 0 HA THR A 18 7.734 6.394 -1.540 1.00 0.00 H new ATOM 0 HB THR A 18 7.625 6.737 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.011 4.708 2.144 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.784 5.229 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.568 5.779 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.181 4.141 0.152 1.00 0.00 H new ATOM 250 N GLY A 19 10.590 5.108 -0.759 1.00 0.00 N ATOM 251 CA GLY A 19 12.021 5.364 -0.749 1.00 0.00 C ATOM 252 C GLY A 19 12.506 5.714 0.659 1.00 0.00 C ATOM 253 O GLY A 19 13.584 6.280 0.825 1.00 0.00 O ATOM 0 H GLY A 19 10.331 4.130 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.554 4.485 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.252 6.182 -1.431 1.00 0.00 H new ATOM 257 N SER A 20 11.684 5.362 1.638 1.00 0.00 N ATOM 258 CA SER A 20 12.016 5.631 3.027 1.00 0.00 C ATOM 259 C SER A 20 11.752 4.389 3.878 1.00 0.00 C ATOM 260 O SER A 20 11.271 3.375 3.373 1.00 0.00 O ATOM 261 CB SER A 20 11.219 6.823 3.562 1.00 0.00 C ATOM 262 OG SER A 20 11.297 7.951 2.695 1.00 0.00 O ATOM 0 H SER A 20 10.789 4.893 1.496 1.00 0.00 H new ATOM 0 HA SER A 20 13.075 5.882 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.176 6.534 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.595 7.097 4.548 1.00 0.00 H new ATOM 0 HG SER A 20 10.774 8.690 3.071 1.00 0.00 H new ATOM 268 N ASP A 21 12.077 4.507 5.157 1.00 0.00 N ATOM 269 CA ASP A 21 11.880 3.406 6.085 1.00 0.00 C ATOM 270 C ASP A 21 11.036 3.886 7.268 1.00 0.00 C ATOM 271 O ASP A 21 11.379 3.633 8.421 1.00 0.00 O ATOM 272 CB ASP A 21 13.216 2.900 6.631 1.00 0.00 C ATOM 273 CG ASP A 21 13.178 1.495 7.236 1.00 0.00 C ATOM 274 OD1 ASP A 21 12.224 1.232 7.999 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.102 0.716 6.920 1.00 0.00 O ATOM 0 H ASP A 21 12.476 5.349 5.573 1.00 0.00 H new ATOM 0 HA ASP A 21 11.381 2.599 5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.949 2.912 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.568 3.597 7.391 1.00 0.00 H new ATOM 280 N ASP A 22 9.950 4.569 6.940 1.00 0.00 N ATOM 281 CA ASP A 22 9.054 5.086 7.961 1.00 0.00 C ATOM 282 C ASP A 22 7.734 4.316 7.913 1.00 0.00 C ATOM 283 O ASP A 22 7.141 4.029 8.952 1.00 0.00 O ATOM 284 CB ASP A 22 8.746 6.567 7.726 1.00 0.00 C ATOM 285 CG ASP A 22 8.958 7.472 8.941 1.00 0.00 C ATOM 286 OD1 ASP A 22 10.028 7.335 9.571 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.045 8.282 9.211 1.00 0.00 O ATOM 0 H ASP A 22 9.670 4.777 5.982 1.00 0.00 H new ATOM 0 HA ASP A 22 9.542 4.968 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.372 6.928 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.710 6.660 7.399 1.00 0.00 H new ATOM 292 N VAL A 23 7.312 4.003 6.697 1.00 0.00 N ATOM 293 CA VAL A 23 6.072 3.271 6.500 1.00 0.00 C ATOM 294 C VAL A 23 6.290 1.801 6.862 1.00 0.00 C ATOM 295 O VAL A 23 5.353 1.004 6.829 1.00 0.00 O ATOM 296 CB VAL A 23 5.570 3.468 5.069 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.480 2.755 4.067 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.121 2.996 4.926 1.00 0.00 C ATOM 0 H VAL A 23 7.807 4.243 5.838 1.00 0.00 H new ATOM 0 HA VAL A 23 5.292 3.655 7.158 1.00 0.00 H new ATOM 0 HB VAL A 23 5.598 4.535 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.101 2.910 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.490 3.158 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.498 1.688 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.789 3.147 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.057 1.937 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.484 3.567 5.601 1.00 0.00 H new ATOM 308 N LYS A 24 7.532 1.485 7.196 1.00 0.00 N ATOM 309 CA LYS A 24 7.886 0.124 7.563 1.00 0.00 C ATOM 310 C LYS A 24 7.533 -0.112 9.032 1.00 0.00 C ATOM 311 O LYS A 24 7.164 -1.221 9.417 1.00 0.00 O ATOM 312 CB LYS A 24 9.353 -0.157 7.230 1.00 0.00 C ATOM 313 CG LYS A 24 9.702 -1.625 7.488 1.00 0.00 C ATOM 314 CD LYS A 24 11.214 -1.813 7.619 1.00 0.00 C ATOM 315 CE LYS A 24 11.573 -3.295 7.743 1.00 0.00 C ATOM 316 NZ LYS A 24 11.674 -3.918 6.404 1.00 0.00 N ATOM 0 H LYS A 24 8.307 2.148 7.220 1.00 0.00 H new ATOM 0 HA LYS A 24 7.308 -0.591 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.546 0.088 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.996 0.485 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.209 -1.965 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.324 -2.241 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.714 -1.385 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.577 -1.273 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.519 -3.403 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.816 -3.810 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.918 -4.924 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.762 -3.832 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.413 -3.437 5.852 1.00 0.00 H new ATOM 330 N LYS A 25 7.658 0.949 9.816 1.00 0.00 N ATOM 331 CA LYS A 25 7.357 0.872 11.236 1.00 0.00 C ATOM 332 C LYS A 25 5.951 1.422 11.485 1.00 0.00 C ATOM 333 O LYS A 25 5.157 0.807 12.195 1.00 0.00 O ATOM 334 CB LYS A 25 8.445 1.571 12.053 1.00 0.00 C ATOM 335 CG LYS A 25 8.419 3.083 11.819 1.00 0.00 C ATOM 336 CD LYS A 25 7.361 3.755 12.697 1.00 0.00 C ATOM 337 CE LYS A 25 8.006 4.727 13.687 1.00 0.00 C ATOM 338 NZ LYS A 25 8.060 6.090 13.116 1.00 0.00 N ATOM 0 H LYS A 25 7.964 1.867 9.495 1.00 0.00 H new ATOM 0 HA LYS A 25 7.358 -0.165 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.301 1.361 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.422 1.174 11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.400 3.505 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.210 3.289 10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.648 4.290 12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.799 2.996 13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.437 4.738 14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.013 4.390 13.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.122 6.787 13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.895 6.176 12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.201 6.267 12.558 1.00 0.00 H new ATOM 352 N ASN A 26 5.686 2.574 10.887 1.00 0.00 N ATOM 353 CA ASN A 26 4.391 3.214 11.035 1.00 0.00 C ATOM 354 C ASN A 26 3.343 2.422 10.249 1.00 0.00 C ATOM 355 O ASN A 26 3.637 1.887 9.180 1.00 0.00 O ATOM 356 CB ASN A 26 4.415 4.641 10.485 1.00 0.00 C ATOM 357 CG ASN A 26 4.508 5.663 11.620 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.553 6.228 11.898 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.359 5.869 12.258 1.00 0.00 N ATOM 0 H ASN A 26 6.347 3.081 10.298 1.00 0.00 H new ATOM 0 HA ASN A 26 4.148 3.241 12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.264 4.761 9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.515 4.824 9.899 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.317 6.533 13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.520 5.363 11.974 1.00 0.00 H new ATOM 366 N LEU A 27 2.143 2.372 10.808 1.00 0.00 N ATOM 367 CA LEU A 27 1.051 1.656 10.173 1.00 0.00 C ATOM 368 C LEU A 27 -0.094 2.630 9.883 1.00 0.00 C ATOM 369 O LEU A 27 -1.256 2.232 9.840 1.00 0.00 O ATOM 370 CB LEU A 27 0.634 0.452 11.020 1.00 0.00 C ATOM 371 CG LEU A 27 1.738 -0.557 11.342 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.741 -0.911 12.830 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.621 -1.799 10.456 1.00 0.00 C ATOM 0 H LEU A 27 1.903 2.816 11.694 1.00 0.00 H new ATOM 0 HA LEU A 27 1.372 1.247 9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.220 0.820 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.169 -0.071 10.501 1.00 0.00 H new ATOM 0 HG LEU A 27 2.699 -0.094 11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.535 -1.630 13.031 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.910 -0.009 13.418 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.780 -1.347 13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.418 -2.500 10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.654 -2.274 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.708 -1.509 9.409 1.00 0.00 H new ATOM 385 N ASP A 28 0.276 3.887 9.694 1.00 0.00 N ATOM 386 CA ASP A 28 -0.704 4.921 9.410 1.00 0.00 C ATOM 387 C ASP A 28 0.002 6.134 8.800 1.00 0.00 C ATOM 388 O ASP A 28 -0.445 7.267 8.969 1.00 0.00 O ATOM 389 CB ASP A 28 -1.408 5.378 10.689 1.00 0.00 C ATOM 390 CG ASP A 28 -2.930 5.223 10.681 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.458 4.865 9.605 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.532 5.465 11.750 1.00 0.00 O ATOM 0 H ASP A 28 1.242 4.213 9.732 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.440 4.508 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.005 4.813 11.529 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.166 6.426 10.864 1.00 0.00 H new ATOM 397 N LEU A 29 1.094 5.855 8.103 1.00 0.00 N ATOM 398 CA LEU A 29 1.865 6.908 7.466 1.00 0.00 C ATOM 399 C LEU A 29 1.243 7.242 6.109 1.00 0.00 C ATOM 400 O LEU A 29 1.527 6.580 5.112 1.00 0.00 O ATOM 401 CB LEU A 29 3.342 6.517 7.386 1.00 0.00 C ATOM 402 CG LEU A 29 4.321 7.650 7.071 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.732 8.390 8.345 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.531 7.129 6.293 1.00 0.00 C ATOM 0 H LEU A 29 1.463 4.914 7.966 1.00 0.00 H new ATOM 0 HA LEU A 29 1.832 7.819 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.630 6.069 8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.452 5.746 6.623 1.00 0.00 H new ATOM 0 HG LEU A 29 3.814 8.371 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.428 9.190 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.848 8.815 8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.214 7.693 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.211 7.954 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.048 6.375 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.197 6.685 5.355 1.00 0.00 H new ATOM 416 N ASN A 30 0.405 8.268 6.114 1.00 0.00 N ATOM 417 CA ASN A 30 -0.260 8.698 4.895 1.00 0.00 C ATOM 418 C ASN A 30 0.725 8.620 3.728 1.00 0.00 C ATOM 419 O ASN A 30 1.744 9.310 3.722 1.00 0.00 O ATOM 420 CB ASN A 30 -0.740 10.146 5.012 1.00 0.00 C ATOM 421 CG ASN A 30 -1.420 10.392 6.361 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.061 11.284 7.112 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.417 9.553 6.626 1.00 0.00 N ATOM 0 H ASN A 30 0.171 8.814 6.943 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.117 8.046 4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.106 10.824 4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.437 10.368 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.933 9.634 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.666 8.828 5.953 1.00 0.00 H new ATOM 430 N LEU A 31 0.387 7.773 2.767 1.00 0.00 N ATOM 431 CA LEU A 31 1.229 7.595 1.596 1.00 0.00 C ATOM 432 C LEU A 31 1.013 8.766 0.635 1.00 0.00 C ATOM 433 O LEU A 31 1.711 8.885 -0.371 1.00 0.00 O ATOM 434 CB LEU A 31 0.982 6.225 0.960 1.00 0.00 C ATOM 435 CG LEU A 31 1.274 5.013 1.847 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.390 3.825 1.460 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.761 4.655 1.813 1.00 0.00 C ATOM 0 H LEU A 31 -0.458 7.202 2.775 1.00 0.00 H new ATOM 0 HA LEU A 31 2.281 7.604 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.060 6.176 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.593 6.148 0.061 1.00 0.00 H new ATOM 0 HG LEU A 31 1.029 5.276 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.617 2.977 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.659 4.099 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.581 3.552 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.942 3.790 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.055 4.419 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.347 5.501 2.173 1.00 0.00 H new ATOM 449 N PHE A 32 0.044 9.602 0.980 1.00 0.00 N ATOM 450 CA PHE A 32 -0.273 10.759 0.160 1.00 0.00 C ATOM 451 C PHE A 32 0.011 12.059 0.915 1.00 0.00 C ATOM 452 O PHE A 32 0.613 12.982 0.368 1.00 0.00 O ATOM 453 CB PHE A 32 -1.766 10.686 -0.161 1.00 0.00 C ATOM 454 CG PHE A 32 -2.137 9.569 -1.139 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.372 9.348 -2.240 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.234 8.799 -0.907 1.00 0.00 C ATOM 457 CE1 PHE A 32 -1.717 8.312 -3.148 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.579 7.762 -1.814 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.812 7.541 -2.916 1.00 0.00 C ATOM 0 H PHE A 32 -0.532 9.501 1.816 1.00 0.00 H new ATOM 0 HA PHE A 32 0.337 10.753 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.320 10.542 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.085 11.641 -0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.502 9.960 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.843 8.976 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.109 8.137 -4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.449 7.150 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.073 6.753 -3.606 1.00 0.00 H new ATOM 469 N GLU A 33 -0.436 12.092 2.162 1.00 0.00 N ATOM 470 CA GLU A 33 -0.239 13.263 2.998 1.00 0.00 C ATOM 471 C GLU A 33 1.242 13.422 3.349 1.00 0.00 C ATOM 472 O GLU A 33 1.664 14.478 3.817 1.00 0.00 O ATOM 473 CB GLU A 33 -1.096 13.185 4.263 1.00 0.00 C ATOM 474 CG GLU A 33 -1.761 14.532 4.558 1.00 0.00 C ATOM 475 CD GLU A 33 -1.544 14.943 6.016 1.00 0.00 C ATOM 476 OE1 GLU A 33 -0.468 14.594 6.550 1.00 0.00 O ATOM 477 OE2 GLU A 33 -2.458 15.597 6.563 1.00 0.00 O ATOM 0 H GLU A 33 -0.935 11.325 2.614 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.556 14.142 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.860 12.417 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.476 12.888 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.353 15.296 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.829 14.468 4.350 1.00 0.00 H new ATOM 484 N THR A 34 1.992 12.355 3.109 1.00 0.00 N ATOM 485 CA THR A 34 3.417 12.362 3.393 1.00 0.00 C ATOM 486 C THR A 34 4.206 12.771 2.149 1.00 0.00 C ATOM 487 O THR A 34 5.386 13.109 2.241 1.00 0.00 O ATOM 488 CB THR A 34 3.798 10.981 3.929 1.00 0.00 C ATOM 489 OG1 THR A 34 2.994 10.826 5.095 1.00 0.00 O ATOM 490 CG2 THR A 34 5.234 10.934 4.458 1.00 0.00 C ATOM 0 H THR A 34 1.639 11.480 2.721 1.00 0.00 H new ATOM 0 HA THR A 34 3.666 13.102 4.154 1.00 0.00 H new ATOM 0 HB THR A 34 3.677 10.240 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.169 10.352 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.453 9.932 4.826 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.926 11.185 3.654 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.346 11.652 5.270 1.00 0.00 H new ATOM 498 N GLY A 35 3.525 12.727 1.013 1.00 0.00 N ATOM 499 CA GLY A 35 4.149 13.088 -0.248 1.00 0.00 C ATOM 500 C GLY A 35 5.010 11.942 -0.782 1.00 0.00 C ATOM 501 O GLY A 35 5.678 12.087 -1.805 1.00 0.00 O ATOM 0 H GLY A 35 2.547 12.447 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.381 13.341 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.765 13.977 -0.112 1.00 0.00 H new ATOM 505 N LEU A 36 4.968 10.829 -0.066 1.00 0.00 N ATOM 506 CA LEU A 36 5.736 9.658 -0.455 1.00 0.00 C ATOM 507 C LEU A 36 5.232 9.148 -1.806 1.00 0.00 C ATOM 508 O LEU A 36 6.018 8.689 -2.633 1.00 0.00 O ATOM 509 CB LEU A 36 5.702 8.603 0.653 1.00 0.00 C ATOM 510 CG LEU A 36 6.546 8.904 1.893 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.473 7.753 2.899 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.988 9.238 1.507 1.00 0.00 C ATOM 0 H LEU A 36 4.414 10.713 0.782 1.00 0.00 H new ATOM 0 HA LEU A 36 6.787 9.917 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.667 8.468 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.035 7.654 0.233 1.00 0.00 H new ATOM 0 HG LEU A 36 6.132 9.785 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.082 7.993 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.438 7.605 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.847 6.840 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.566 9.448 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.429 8.391 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.997 10.113 0.857 1.00 0.00 H new ATOM 524 N LEU A 37 3.923 9.246 -1.988 1.00 0.00 N ATOM 525 CA LEU A 37 3.305 8.800 -3.225 1.00 0.00 C ATOM 526 C LEU A 37 2.436 9.925 -3.790 1.00 0.00 C ATOM 527 O LEU A 37 2.265 10.963 -3.151 1.00 0.00 O ATOM 528 CB LEU A 37 2.546 7.490 -3.003 1.00 0.00 C ATOM 529 CG LEU A 37 2.734 6.416 -4.077 1.00 0.00 C ATOM 530 CD1 LEU A 37 3.151 5.083 -3.451 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.478 6.276 -4.939 1.00 0.00 C ATOM 0 H LEU A 37 3.274 9.627 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 37 4.066 8.578 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.852 7.074 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.483 7.718 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 37 3.543 6.730 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.278 4.337 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.092 5.211 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.380 4.751 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.639 5.506 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.634 5.996 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.265 7.226 -5.429 1.00 0.00 H new ATOM 543 N ASP A 38 1.909 9.683 -4.980 1.00 0.00 N ATOM 544 CA ASP A 38 1.061 10.662 -5.639 1.00 0.00 C ATOM 545 C ASP A 38 -0.148 9.954 -6.254 1.00 0.00 C ATOM 546 O ASP A 38 -1.288 10.232 -5.884 1.00 0.00 O ATOM 547 CB ASP A 38 1.815 11.375 -6.764 1.00 0.00 C ATOM 548 CG ASP A 38 2.351 12.762 -6.407 1.00 0.00 C ATOM 549 OD1 ASP A 38 1.884 13.303 -5.380 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.213 13.251 -7.167 1.00 0.00 O ATOM 0 H ASP A 38 2.053 8.821 -5.507 1.00 0.00 H new ATOM 0 HA ASP A 38 0.749 11.393 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.651 10.748 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.151 11.469 -7.623 1.00 0.00 H new ATOM 555 N SER A 39 0.143 9.054 -7.181 1.00 0.00 N ATOM 556 CA SER A 39 -0.906 8.304 -7.851 1.00 0.00 C ATOM 557 C SER A 39 -0.293 7.177 -8.685 1.00 0.00 C ATOM 558 O SER A 39 -0.540 6.002 -8.424 1.00 0.00 O ATOM 559 CB SER A 39 -1.758 9.217 -8.734 1.00 0.00 C ATOM 560 OG SER A 39 -2.511 8.481 -9.694 1.00 0.00 O ATOM 0 H SER A 39 1.090 8.827 -7.484 1.00 0.00 H new ATOM 0 HA SER A 39 -1.556 7.871 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.437 9.796 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.113 9.929 -9.248 1.00 0.00 H new ATOM 0 HG SER A 39 -3.043 9.100 -10.237 1.00 0.00 H new ATOM 566 N MET A 40 0.494 7.578 -9.674 1.00 0.00 N ATOM 567 CA MET A 40 1.143 6.617 -10.548 1.00 0.00 C ATOM 568 C MET A 40 1.797 5.494 -9.740 1.00 0.00 C ATOM 569 O MET A 40 1.986 4.389 -10.246 1.00 0.00 O ATOM 570 CB MET A 40 2.207 7.328 -11.388 1.00 0.00 C ATOM 571 CG MET A 40 1.958 7.115 -12.883 1.00 0.00 C ATOM 572 SD MET A 40 1.804 8.690 -13.707 1.00 0.00 S ATOM 573 CE MET A 40 0.088 8.620 -14.192 1.00 0.00 C ATOM 0 H MET A 40 0.696 8.555 -9.888 1.00 0.00 H new ATOM 0 HA MET A 40 0.387 6.178 -11.199 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.200 8.394 -11.163 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.195 6.952 -11.123 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.779 6.546 -13.319 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.051 6.529 -13.029 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.177 9.534 -14.723 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.071 7.762 -14.845 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.537 8.522 -13.305 1.00 0.00 H new ATOM 583 N GLY A 41 2.125 5.817 -8.498 1.00 0.00 N ATOM 584 CA GLY A 41 2.755 4.850 -7.614 1.00 0.00 C ATOM 585 C GLY A 41 1.824 3.665 -7.347 1.00 0.00 C ATOM 586 O GLY A 41 2.215 2.512 -7.517 1.00 0.00 O ATOM 0 H GLY A 41 1.967 6.735 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.684 4.494 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.018 5.330 -6.672 1.00 0.00 H new ATOM 590 N THR A 42 0.609 3.992 -6.930 1.00 0.00 N ATOM 591 CA THR A 42 -0.381 2.970 -6.637 1.00 0.00 C ATOM 592 C THR A 42 -0.459 1.958 -7.782 1.00 0.00 C ATOM 593 O THR A 42 -0.659 0.767 -7.551 1.00 0.00 O ATOM 594 CB THR A 42 -1.712 3.668 -6.351 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.255 2.943 -5.252 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.733 3.463 -7.473 1.00 0.00 C ATOM 0 H THR A 42 0.288 4.950 -6.788 1.00 0.00 H new ATOM 0 HA THR A 42 -0.104 2.394 -5.754 1.00 0.00 H new ATOM 0 HB THR A 42 -1.539 4.735 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.119 3.330 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.660 3.978 -7.220 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.336 3.866 -8.405 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.932 2.398 -7.594 1.00 0.00 H new ATOM 604 N VAL A 43 -0.297 2.470 -8.994 1.00 0.00 N ATOM 605 CA VAL A 43 -0.347 1.626 -10.175 1.00 0.00 C ATOM 606 C VAL A 43 0.729 0.544 -10.070 1.00 0.00 C ATOM 607 O VAL A 43 0.586 -0.537 -10.640 1.00 0.00 O ATOM 608 CB VAL A 43 -0.211 2.483 -11.436 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.327 1.624 -12.697 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.243 3.612 -11.444 1.00 0.00 C ATOM 0 H VAL A 43 -0.131 3.459 -9.183 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.310 1.121 -10.243 1.00 0.00 H new ATOM 0 HB VAL A 43 0.781 2.936 -11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.227 2.257 -13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.462 0.872 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.299 1.130 -12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.125 4.206 -12.350 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.247 3.188 -11.416 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.094 4.248 -10.571 1.00 0.00 H new ATOM 620 N GLN A 44 1.783 0.872 -9.336 1.00 0.00 N ATOM 621 CA GLN A 44 2.883 -0.059 -9.149 1.00 0.00 C ATOM 622 C GLN A 44 2.486 -1.157 -8.160 1.00 0.00 C ATOM 623 O GLN A 44 2.360 -2.322 -8.539 1.00 0.00 O ATOM 624 CB GLN A 44 4.144 0.671 -8.680 1.00 0.00 C ATOM 625 CG GLN A 44 5.307 -0.308 -8.498 1.00 0.00 C ATOM 626 CD GLN A 44 6.643 0.361 -8.830 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.711 1.522 -9.197 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.697 -0.436 -8.683 1.00 0.00 N ATOM 0 H GLN A 44 1.898 1.769 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 44 3.107 -0.525 -10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.418 1.436 -9.407 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.944 1.183 -7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.324 -0.672 -7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.161 -1.176 -9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.569 -1.399 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.634 -0.085 -8.881 1.00 0.00 H new ATOM 637 N LEU A 45 2.299 -0.749 -6.914 1.00 0.00 N ATOM 638 CA LEU A 45 1.918 -1.684 -5.870 1.00 0.00 C ATOM 639 C LEU A 45 0.865 -2.650 -6.414 1.00 0.00 C ATOM 640 O LEU A 45 0.977 -3.862 -6.235 1.00 0.00 O ATOM 641 CB LEU A 45 1.472 -0.933 -4.614 1.00 0.00 C ATOM 642 CG LEU A 45 1.037 0.520 -4.820 1.00 0.00 C ATOM 643 CD1 LEU A 45 -0.104 0.891 -3.870 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.226 1.473 -4.689 1.00 0.00 C ATOM 0 H LEU A 45 2.404 0.217 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 45 2.776 -2.285 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.643 -1.479 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.292 -0.948 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 45 0.655 0.621 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.394 1.928 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.959 0.241 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.227 0.768 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.889 2.498 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.661 1.377 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.976 1.224 -5.439 1.00 0.00 H new ATOM 656 N LEU A 46 -0.135 -2.078 -7.070 1.00 0.00 N ATOM 657 CA LEU A 46 -1.207 -2.873 -7.642 1.00 0.00 C ATOM 658 C LEU A 46 -0.607 -4.029 -8.445 1.00 0.00 C ATOM 659 O LEU A 46 -1.069 -5.165 -8.346 1.00 0.00 O ATOM 660 CB LEU A 46 -2.156 -1.989 -8.453 1.00 0.00 C ATOM 661 CG LEU A 46 -3.126 -1.126 -7.643 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.317 -0.690 -8.498 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.570 -1.849 -6.369 1.00 0.00 C ATOM 0 H LEU A 46 -0.224 -1.073 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.816 -3.315 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.558 -1.333 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.738 -2.628 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.602 -0.221 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.991 -0.078 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.961 -0.110 -9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.849 -1.571 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.259 -1.214 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.069 -2.781 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.698 -2.068 -5.752 1.00 0.00 H new ATOM 675 N LEU A 47 0.414 -3.700 -9.223 1.00 0.00 N ATOM 676 CA LEU A 47 1.083 -4.696 -10.042 1.00 0.00 C ATOM 677 C LEU A 47 1.825 -5.680 -9.137 1.00 0.00 C ATOM 678 O LEU A 47 2.053 -6.827 -9.517 1.00 0.00 O ATOM 679 CB LEU A 47 1.978 -4.020 -11.082 1.00 0.00 C ATOM 680 CG LEU A 47 2.007 -4.671 -12.467 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.717 -6.025 -12.423 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.596 -4.782 -13.049 1.00 0.00 C ATOM 0 H LEU A 47 0.794 -2.757 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 47 0.354 -5.274 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.653 -2.986 -11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.996 -3.993 -10.694 1.00 0.00 H new ATOM 0 HG LEU A 47 2.582 -4.029 -13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.723 -6.465 -13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.743 -5.887 -12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.192 -6.689 -11.736 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.644 -5.248 -14.033 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.023 -5.390 -12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.160 -3.787 -13.139 1.00 0.00 H new ATOM 694 N GLU A 48 2.183 -5.194 -7.957 1.00 0.00 N ATOM 695 CA GLU A 48 2.895 -6.017 -6.995 1.00 0.00 C ATOM 696 C GLU A 48 1.906 -6.787 -6.119 1.00 0.00 C ATOM 697 O GLU A 48 2.261 -7.800 -5.516 1.00 0.00 O ATOM 698 CB GLU A 48 3.838 -5.168 -6.140 1.00 0.00 C ATOM 699 CG GLU A 48 5.161 -5.898 -5.892 1.00 0.00 C ATOM 700 CD GLU A 48 5.844 -6.256 -7.214 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.488 -5.349 -7.784 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.705 -7.429 -7.624 1.00 0.00 O ATOM 0 H GLU A 48 1.993 -4.241 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 48 3.502 -6.738 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.031 -4.218 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.362 -4.937 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.822 -5.269 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.978 -6.805 -5.315 1.00 0.00 H new ATOM 709 N LEU A 49 0.683 -6.280 -6.076 1.00 0.00 N ATOM 710 CA LEU A 49 -0.362 -6.908 -5.284 1.00 0.00 C ATOM 711 C LEU A 49 -1.106 -7.929 -6.147 1.00 0.00 C ATOM 712 O LEU A 49 -1.733 -8.848 -5.624 1.00 0.00 O ATOM 713 CB LEU A 49 -1.274 -5.847 -4.663 1.00 0.00 C ATOM 714 CG LEU A 49 -0.667 -5.024 -3.524 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.716 -4.108 -2.891 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.003 -5.931 -2.490 1.00 0.00 C ATOM 0 H LEU A 49 0.392 -5.441 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 49 0.071 -7.454 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.591 -5.163 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.171 -6.341 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 49 0.110 -4.383 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.259 -3.534 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.106 -3.425 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.531 -4.711 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.426 -5.322 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.736 -6.614 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.797 -6.504 -2.969 1.00 0.00 H new ATOM 728 N GLN A 50 -1.010 -7.733 -7.454 1.00 0.00 N ATOM 729 CA GLN A 50 -1.666 -8.627 -8.393 1.00 0.00 C ATOM 730 C GLN A 50 -0.672 -9.664 -8.922 1.00 0.00 C ATOM 731 O GLN A 50 -0.906 -10.280 -9.960 1.00 0.00 O ATOM 732 CB GLN A 50 -2.302 -7.842 -9.543 1.00 0.00 C ATOM 733 CG GLN A 50 -3.429 -8.644 -10.197 1.00 0.00 C ATOM 734 CD GLN A 50 -4.483 -7.716 -10.803 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.022 -6.936 -11.776 1.00 0.00 O flip ATOM 736 NE2 GLN A 50 -5.638 -7.708 -10.411 1.00 0.00 N flip ATOM 0 H GLN A 50 -0.489 -6.969 -7.884 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.464 -9.152 -7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.694 -6.896 -9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.543 -7.601 -10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.018 -9.289 -10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.895 -9.294 -9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.926 -8.334 -9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.316 -7.075 -10.835 1.00 0.00 H new ATOM 745 N SER A 51 0.415 -9.825 -8.183 1.00 0.00 N ATOM 746 CA SER A 51 1.446 -10.776 -8.564 1.00 0.00 C ATOM 747 C SER A 51 1.741 -11.722 -7.398 1.00 0.00 C ATOM 748 O SER A 51 1.572 -12.934 -7.519 1.00 0.00 O ATOM 749 CB SER A 51 2.724 -10.059 -9.002 1.00 0.00 C ATOM 750 OG SER A 51 2.662 -9.647 -10.365 1.00 0.00 O ATOM 0 H SER A 51 0.605 -9.313 -7.322 1.00 0.00 H new ATOM 0 HA SER A 51 1.080 -11.356 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.888 -9.189 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.578 -10.721 -8.861 1.00 0.00 H new ATOM 0 HG SER A 51 2.475 -8.686 -10.408 1.00 0.00 H new ATOM 756 N GLN A 52 2.177 -11.131 -6.294 1.00 0.00 N ATOM 757 CA GLN A 52 2.497 -11.906 -5.108 1.00 0.00 C ATOM 758 C GLN A 52 1.229 -12.191 -4.300 1.00 0.00 C ATOM 759 O GLN A 52 1.178 -13.154 -3.538 1.00 0.00 O ATOM 760 CB GLN A 52 3.542 -11.188 -4.251 1.00 0.00 C ATOM 761 CG GLN A 52 4.850 -11.003 -5.022 1.00 0.00 C ATOM 762 CD GLN A 52 5.816 -12.160 -4.753 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.528 -13.316 -5.018 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.971 -11.787 -4.211 1.00 0.00 N ATOM 0 H GLN A 52 2.316 -10.125 -6.197 1.00 0.00 H new ATOM 0 HA GLN A 52 2.924 -12.858 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.158 -10.216 -3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.729 -11.761 -3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.641 -10.941 -6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.316 -10.061 -4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.148 -10.802 -4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.681 -12.486 -3.991 1.00 0.00 H new ATOM 773 N PHE A 53 0.236 -11.337 -4.498 1.00 0.00 N ATOM 774 CA PHE A 53 -1.028 -11.484 -3.799 1.00 0.00 C ATOM 775 C PHE A 53 -2.192 -11.594 -4.786 1.00 0.00 C ATOM 776 O PHE A 53 -3.341 -11.767 -4.381 1.00 0.00 O ATOM 777 CB PHE A 53 -1.217 -10.229 -2.945 1.00 0.00 C ATOM 778 CG PHE A 53 0.061 -9.750 -2.250 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.079 -9.228 -2.984 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.177 -9.849 -0.898 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.263 -8.784 -2.339 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.362 -9.406 -0.254 1.00 0.00 C ATOM 783 CZ PHE A 53 2.380 -8.883 -0.988 1.00 0.00 C ATOM 0 H PHE A 53 0.282 -10.540 -5.133 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.013 -12.390 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.598 -9.426 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.977 -10.427 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.987 -9.151 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.632 -10.264 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.071 -8.367 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.455 -9.484 0.819 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.282 -8.546 -0.498 1.00 0.00 H new ATOM 793 N GLY A 54 -1.854 -11.490 -6.063 1.00 0.00 N ATOM 794 CA GLY A 54 -2.856 -11.576 -7.111 1.00 0.00 C ATOM 795 C GLY A 54 -4.158 -10.896 -6.682 1.00 0.00 C ATOM 796 O GLY A 54 -5.239 -11.458 -6.846 1.00 0.00 O ATOM 0 H GLY A 54 -0.900 -11.347 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.479 -11.106 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.049 -12.622 -7.349 1.00 0.00 H new ATOM 800 N VAL A 55 -4.011 -9.696 -6.140 1.00 0.00 N ATOM 801 CA VAL A 55 -5.162 -8.934 -5.687 1.00 0.00 C ATOM 802 C VAL A 55 -5.944 -8.427 -6.900 1.00 0.00 C ATOM 803 O VAL A 55 -5.436 -8.442 -8.020 1.00 0.00 O ATOM 804 CB VAL A 55 -4.710 -7.807 -4.755 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.219 -6.599 -5.553 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.829 -7.410 -3.791 1.00 0.00 C ATOM 0 H VAL A 55 -3.112 -9.233 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.834 -9.568 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.874 -8.178 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.904 -5.813 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.376 -6.894 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.026 -6.227 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.481 -6.608 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.694 -7.067 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.110 -8.272 -3.186 1.00 0.00 H new ATOM 816 N ASP A 56 -7.167 -7.992 -6.636 1.00 0.00 N ATOM 817 CA ASP A 56 -8.024 -7.482 -7.692 1.00 0.00 C ATOM 818 C ASP A 56 -8.590 -6.123 -7.274 1.00 0.00 C ATOM 819 O ASP A 56 -9.780 -5.863 -7.446 1.00 0.00 O ATOM 820 CB ASP A 56 -9.202 -8.425 -7.951 1.00 0.00 C ATOM 821 CG ASP A 56 -9.065 -9.306 -9.194 1.00 0.00 C ATOM 822 OD1 ASP A 56 -8.320 -10.306 -9.101 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.707 -8.959 -10.208 1.00 0.00 O ATOM 0 H ASP A 56 -7.585 -7.982 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.425 -7.396 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.331 -9.068 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.110 -7.830 -8.044 1.00 0.00 H new ATOM 828 N ALA A 57 -7.710 -5.294 -6.734 1.00 0.00 N ATOM 829 CA ALA A 57 -8.106 -3.969 -6.289 1.00 0.00 C ATOM 830 C ALA A 57 -8.426 -3.101 -7.508 1.00 0.00 C ATOM 831 O ALA A 57 -7.819 -3.262 -8.566 1.00 0.00 O ATOM 832 CB ALA A 57 -6.998 -3.368 -5.420 1.00 0.00 C ATOM 0 H ALA A 57 -6.724 -5.514 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.006 -4.024 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.296 -2.374 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.829 -4.006 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.079 -3.295 -6.001 1.00 0.00 H new ATOM 838 N PRO A 58 -9.404 -2.175 -7.314 1.00 0.00 N ATOM 839 CA PRO A 58 -9.811 -1.282 -8.385 1.00 0.00 C ATOM 840 C PRO A 58 -8.769 -0.185 -8.610 1.00 0.00 C ATOM 841 O PRO A 58 -7.824 -0.053 -7.835 1.00 0.00 O ATOM 842 CB PRO A 58 -11.163 -0.738 -7.951 1.00 0.00 C ATOM 843 CG PRO A 58 -11.248 -0.981 -6.453 1.00 0.00 C ATOM 844 CD PRO A 58 -10.144 -1.956 -6.075 1.00 0.00 C ATOM 0 HA PRO A 58 -9.890 -1.788 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.248 0.324 -8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.974 -1.243 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.133 -0.044 -5.907 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.224 -1.387 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.501 -1.544 -5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.555 -2.889 -5.689 1.00 0.00 H new ATOM 852 N VAL A 59 -8.978 0.575 -9.675 1.00 0.00 N ATOM 853 CA VAL A 59 -8.068 1.657 -10.011 1.00 0.00 C ATOM 854 C VAL A 59 -8.874 2.855 -10.519 1.00 0.00 C ATOM 855 O VAL A 59 -8.638 3.988 -10.100 1.00 0.00 O ATOM 856 CB VAL A 59 -7.024 1.169 -11.019 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.899 2.193 -11.182 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.468 -0.197 -10.612 1.00 0.00 C ATOM 0 H VAL A 59 -9.763 0.463 -10.316 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.520 1.984 -9.127 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.516 1.057 -11.985 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.171 1.822 -11.903 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.314 3.136 -11.538 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.409 2.352 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.728 -0.522 -11.344 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.999 -0.121 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.280 -0.923 -10.570 1.00 0.00 H new ATOM 868 N SER A 60 -9.807 2.565 -11.413 1.00 0.00 N ATOM 869 CA SER A 60 -10.648 3.604 -11.982 1.00 0.00 C ATOM 870 C SER A 60 -11.031 4.617 -10.900 1.00 0.00 C ATOM 871 O SER A 60 -11.237 5.794 -11.192 1.00 0.00 O ATOM 872 CB SER A 60 -11.905 3.009 -12.619 1.00 0.00 C ATOM 873 OG SER A 60 -12.573 2.108 -11.741 1.00 0.00 O ATOM 0 H SER A 60 -9.999 1.625 -11.758 1.00 0.00 H new ATOM 0 HA SER A 60 -10.083 4.111 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.585 3.814 -12.899 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.634 2.487 -13.537 1.00 0.00 H new ATOM 0 HG SER A 60 -13.371 1.751 -12.184 1.00 0.00 H new ATOM 879 N GLU A 61 -11.115 4.122 -9.673 1.00 0.00 N ATOM 880 CA GLU A 61 -11.470 4.969 -8.547 1.00 0.00 C ATOM 881 C GLU A 61 -11.254 4.219 -7.231 1.00 0.00 C ATOM 882 O GLU A 61 -12.214 3.857 -6.554 1.00 0.00 O ATOM 883 CB GLU A 61 -12.913 5.464 -8.666 1.00 0.00 C ATOM 884 CG GLU A 61 -12.967 6.992 -8.705 1.00 0.00 C ATOM 885 CD GLU A 61 -14.336 7.479 -9.186 1.00 0.00 C ATOM 886 OE1 GLU A 61 -14.620 7.278 -10.386 1.00 0.00 O ATOM 887 OE2 GLU A 61 -15.066 8.043 -8.343 1.00 0.00 O ATOM 0 H GLU A 61 -10.943 3.145 -9.435 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.820 5.844 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.367 5.057 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.498 5.097 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.763 7.392 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.189 7.370 -9.368 1.00 0.00 H new ATOM 894 N PHE A 62 -9.986 4.010 -6.908 1.00 0.00 N ATOM 895 CA PHE A 62 -9.631 3.310 -5.685 1.00 0.00 C ATOM 896 C PHE A 62 -9.634 4.263 -4.488 1.00 0.00 C ATOM 897 O PHE A 62 -8.887 5.240 -4.465 1.00 0.00 O ATOM 898 CB PHE A 62 -8.217 2.759 -5.879 1.00 0.00 C ATOM 899 CG PHE A 62 -7.160 3.834 -6.139 1.00 0.00 C ATOM 900 CD1 PHE A 62 -6.917 4.256 -7.408 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.464 4.369 -5.099 1.00 0.00 C ATOM 902 CE1 PHE A 62 -5.936 5.255 -7.650 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.483 5.367 -5.341 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.240 5.789 -6.611 1.00 0.00 C ATOM 0 H PHE A 62 -9.192 4.313 -7.472 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.353 2.518 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.934 2.193 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.222 2.060 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.470 3.832 -8.233 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.658 4.035 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.743 5.590 -8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.930 5.791 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.494 6.548 -6.794 1.00 0.00 H new ATOM 914 N ASP A 63 -10.484 3.945 -3.522 1.00 0.00 N ATOM 915 CA ASP A 63 -10.595 4.760 -2.324 1.00 0.00 C ATOM 916 C ASP A 63 -9.195 5.048 -1.778 1.00 0.00 C ATOM 917 O ASP A 63 -8.631 4.235 -1.046 1.00 0.00 O ATOM 918 CB ASP A 63 -11.388 4.035 -1.235 1.00 0.00 C ATOM 919 CG ASP A 63 -12.699 4.712 -0.831 1.00 0.00 C ATOM 920 OD1 ASP A 63 -13.232 5.465 -1.675 1.00 0.00 O ATOM 921 OD2 ASP A 63 -13.139 4.460 0.311 1.00 0.00 O ATOM 0 H ASP A 63 -11.102 3.134 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.111 5.683 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.609 3.025 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.758 3.940 -0.351 1.00 0.00 H new ATOM 926 N ARG A 64 -8.675 6.207 -2.153 1.00 0.00 N ATOM 927 CA ARG A 64 -7.351 6.612 -1.710 1.00 0.00 C ATOM 928 C ARG A 64 -7.255 6.531 -0.185 1.00 0.00 C ATOM 929 O ARG A 64 -6.164 6.387 0.366 1.00 0.00 O ATOM 930 CB ARG A 64 -7.032 8.040 -2.159 1.00 0.00 C ATOM 931 CG ARG A 64 -6.530 8.060 -3.604 1.00 0.00 C ATOM 932 CD ARG A 64 -6.280 9.493 -4.077 1.00 0.00 C ATOM 933 NE ARG A 64 -5.300 10.156 -3.188 1.00 0.00 N ATOM 934 CZ ARG A 64 -4.787 11.374 -3.411 1.00 0.00 C ATOM 935 NH1 ARG A 64 -5.158 12.069 -4.495 1.00 0.00 N ATOM 936 NH2 ARG A 64 -3.903 11.896 -2.550 1.00 0.00 N ATOM 0 H ARG A 64 -9.146 6.879 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.628 5.932 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.924 8.661 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.277 8.472 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.609 7.482 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.262 7.581 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.908 9.487 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.216 10.052 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.996 9.655 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.831 11.671 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.768 12.996 -4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.621 11.366 -1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.512 12.823 -2.719 1.00 0.00 H new ATOM 950 N LYS A 65 -8.411 6.630 0.455 1.00 0.00 N ATOM 951 CA LYS A 65 -8.472 6.569 1.906 1.00 0.00 C ATOM 952 C LYS A 65 -7.974 5.201 2.377 1.00 0.00 C ATOM 953 O LYS A 65 -7.352 5.092 3.432 1.00 0.00 O ATOM 954 CB LYS A 65 -9.878 6.915 2.399 1.00 0.00 C ATOM 955 CG LYS A 65 -10.115 6.368 3.807 1.00 0.00 C ATOM 956 CD LYS A 65 -10.821 7.403 4.687 1.00 0.00 C ATOM 957 CE LYS A 65 -9.814 8.373 5.308 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.054 9.751 4.824 1.00 0.00 N ATOM 0 H LYS A 65 -9.313 6.752 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.813 7.317 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.012 7.997 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.619 6.502 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.717 5.461 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.162 6.091 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.546 7.958 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.377 6.896 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.895 8.344 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.800 8.064 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.362 10.396 5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.954 9.778 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.015 10.049 5.087 1.00 0.00 H new ATOM 972 N GLU A 66 -8.267 4.191 1.570 1.00 0.00 N ATOM 973 CA GLU A 66 -7.858 2.835 1.891 1.00 0.00 C ATOM 974 C GLU A 66 -6.483 2.539 1.290 1.00 0.00 C ATOM 975 O GLU A 66 -5.783 1.636 1.745 1.00 0.00 O ATOM 976 CB GLU A 66 -8.897 1.819 1.409 1.00 0.00 C ATOM 977 CG GLU A 66 -8.455 0.389 1.727 1.00 0.00 C ATOM 978 CD GLU A 66 -9.665 -0.519 1.954 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.652 -0.347 1.208 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.574 -1.366 2.869 1.00 0.00 O ATOM 0 H GLU A 66 -8.783 4.285 0.695 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.786 2.746 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.856 2.021 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.045 1.927 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.852 -0.000 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.823 0.388 2.615 1.00 0.00 H new ATOM 987 N TRP A 67 -6.136 3.318 0.275 1.00 0.00 N ATOM 988 CA TRP A 67 -4.856 3.151 -0.393 1.00 0.00 C ATOM 989 C TRP A 67 -3.965 4.334 -0.011 1.00 0.00 C ATOM 990 O TRP A 67 -3.030 4.671 -0.735 1.00 0.00 O ATOM 991 CB TRP A 67 -5.042 3.007 -1.905 1.00 0.00 C ATOM 992 CG TRP A 67 -6.066 1.943 -2.308 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.339 2.124 -2.685 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.850 0.518 -2.359 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.957 0.924 -2.973 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.022 -0.083 -2.769 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.702 -0.240 -2.068 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.160 -1.468 -2.925 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.856 -1.622 -2.228 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.029 -2.243 -2.641 1.00 0.00 C ATOM 0 H TRP A 67 -6.719 4.066 -0.101 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.370 2.231 -0.070 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.351 3.968 -2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.081 2.761 -2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.821 3.088 -2.755 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.922 0.800 -3.279 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.774 0.209 -1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.089 -1.914 -3.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.003 -2.250 -2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.068 -3.318 -2.742 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.287 4.933 1.127 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.526 6.071 1.614 1.00 0.00 C ATOM 1013 C ASP A 68 -2.589 5.611 2.733 1.00 0.00 C ATOM 1014 O ASP A 68 -1.558 6.236 2.979 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.452 7.147 2.186 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.829 8.026 3.272 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.835 8.712 2.946 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.360 7.993 4.402 1.00 0.00 O ATOM 0 H ASP A 68 -5.064 4.652 1.725 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.964 6.485 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.788 7.787 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.338 6.662 2.596 1.00 0.00 H new ATOM 1023 N THR A 69 -2.981 4.525 3.381 1.00 0.00 N ATOM 1024 CA THR A 69 -2.189 3.975 4.467 1.00 0.00 C ATOM 1025 C THR A 69 -1.770 2.538 4.148 1.00 0.00 C ATOM 1026 O THR A 69 -2.361 1.892 3.284 1.00 0.00 O ATOM 1027 CB THR A 69 -3.004 4.098 5.756 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.359 4.047 5.317 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.873 5.478 6.403 1.00 0.00 C ATOM 0 H THR A 69 -3.837 4.011 3.175 1.00 0.00 H new ATOM 0 HA THR A 69 -1.260 4.529 4.598 1.00 0.00 H new ATOM 0 HB THR A 69 -2.681 3.334 6.463 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.941 4.428 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.471 5.511 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.828 5.667 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.227 6.240 5.709 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.726 2.067 4.881 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.221 0.719 4.685 1.00 0.00 C ATOM 1039 C PRO A 70 -1.165 -0.315 5.301 1.00 0.00 C ATOM 1040 O PRO A 70 -1.360 -1.394 4.743 1.00 0.00 O ATOM 1041 CB PRO A 70 1.159 0.719 5.323 1.00 0.00 C ATOM 1042 CG PRO A 70 1.188 1.918 6.255 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.001 2.803 5.913 1.00 0.00 C ATOM 0 HA PRO A 70 -0.158 0.442 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.335 -0.206 5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.939 0.794 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.137 1.595 7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.121 2.470 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.627 2.980 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.323 3.779 5.550 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.724 0.049 6.446 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.644 -0.834 7.144 1.00 0.00 C ATOM 1053 C ASN A 71 -3.897 -1.035 6.291 1.00 0.00 C ATOM 1054 O ASN A 71 -4.246 -2.165 5.953 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.074 -0.232 8.484 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.420 -0.972 9.652 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -1.872 -2.053 9.508 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.505 -0.331 10.814 1.00 0.00 N ATOM 0 H ASN A 71 -1.558 0.943 6.908 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.135 -1.781 7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.800 0.822 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.159 -0.283 8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.097 -0.742 11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.978 0.571 10.865 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.540 0.077 5.968 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.747 0.037 5.162 1.00 0.00 C ATOM 1067 C LYS A 72 -5.498 -0.822 3.920 1.00 0.00 C ATOM 1068 O LYS A 72 -6.403 -1.501 3.438 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.226 1.455 4.843 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.438 1.830 5.699 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.565 3.349 5.834 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.249 3.802 7.260 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.250 3.263 8.208 1.00 0.00 N ATOM 0 H LYS A 72 -4.247 1.012 6.250 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.560 -0.432 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.418 2.164 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.486 1.526 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.344 1.424 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.343 1.380 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.886 3.838 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.575 3.658 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.252 3.464 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.242 4.891 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.335 3.903 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.171 3.184 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.947 2.323 8.535 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.265 -0.763 3.437 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.885 -1.526 2.261 1.00 0.00 C ATOM 1089 C ILE A 73 -3.628 -2.981 2.663 1.00 0.00 C ATOM 1090 O ILE A 73 -4.228 -3.898 2.107 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.701 -0.866 1.553 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.147 0.379 0.785 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.974 -1.865 0.651 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -2.055 0.852 -0.177 1.00 0.00 C ATOM 0 H ILE A 73 -3.517 -0.198 3.839 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.697 -1.534 1.534 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.989 -0.540 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.057 0.160 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.388 1.177 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.137 -1.369 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.602 -2.695 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.664 -2.244 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.399 1.738 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.154 1.094 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.834 0.061 -0.893 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.733 -3.144 3.627 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.389 -4.471 4.111 1.00 0.00 C ATOM 1108 C ILE A 74 -3.669 -5.280 4.322 1.00 0.00 C ATOM 1109 O ILE A 74 -3.653 -6.508 4.244 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.509 -4.374 5.358 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.028 -4.511 4.996 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.938 -5.397 6.412 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.833 -3.582 5.854 1.00 0.00 C ATOM 0 H ILE A 74 -2.236 -2.380 4.085 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.794 -5.005 3.370 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.644 -3.385 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.291 -5.543 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.116 -4.276 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.296 -5.307 7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.973 -5.211 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.851 -6.402 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.881 -3.698 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.527 -2.549 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.705 -3.836 6.906 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.751 -4.560 4.585 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.037 -5.196 4.809 1.00 0.00 C ATOM 1127 C ALA A 75 -6.652 -5.582 3.462 1.00 0.00 C ATOM 1128 O ALA A 75 -7.163 -6.689 3.303 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.938 -4.257 5.613 1.00 0.00 C ATOM 0 H ALA A 75 -4.762 -3.542 4.648 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.917 -6.110 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.903 -4.734 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.470 -4.037 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.084 -3.330 5.059 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.582 -4.646 2.527 1.00 0.00 N ATOM 1136 CA LYS A 76 -7.124 -4.874 1.197 1.00 0.00 C ATOM 1137 C LYS A 76 -6.530 -6.161 0.622 1.00 0.00 C ATOM 1138 O LYS A 76 -7.234 -6.944 -0.013 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.906 -3.646 0.312 1.00 0.00 C ATOM 1140 CG LYS A 76 -8.117 -2.712 0.361 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.370 -3.409 -0.174 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.174 -2.472 -1.079 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.095 -3.247 -1.939 1.00 0.00 N ATOM 0 H LYS A 76 -6.158 -3.728 2.663 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.204 -5.015 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.016 -3.110 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.727 -3.961 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.288 -2.386 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.915 -1.817 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.084 -4.302 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.991 -3.738 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.741 -1.767 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.496 -1.885 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.633 -2.596 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.547 -3.902 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.754 -3.788 -1.343 1.00 0.00 H new ATOM 1157 N VAL A 77 -5.240 -6.339 0.865 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.543 -7.518 0.379 1.00 0.00 C ATOM 1159 C VAL A 77 -5.030 -8.747 1.150 1.00 0.00 C ATOM 1160 O VAL A 77 -5.157 -9.830 0.581 1.00 0.00 O ATOM 1161 CB VAL A 77 -3.030 -7.310 0.480 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -2.275 -8.587 0.104 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.580 -6.130 -0.384 1.00 0.00 C ATOM 0 H VAL A 77 -4.659 -5.687 1.392 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.765 -7.686 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.792 -7.074 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.202 -8.412 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.563 -9.392 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.522 -8.867 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.501 -6.004 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.837 -6.323 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.081 -5.222 -0.049 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.289 -8.538 2.432 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.759 -9.615 3.286 1.00 0.00 C ATOM 1175 C GLU A 78 -7.154 -10.066 2.851 1.00 0.00 C ATOM 1176 O GLU A 78 -7.470 -11.254 2.899 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.752 -9.192 4.756 1.00 0.00 C ATOM 1178 CG GLU A 78 -4.322 -9.028 5.273 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.988 -10.101 6.312 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.452 -11.244 6.116 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.275 -9.753 7.278 1.00 0.00 O ATOM 0 H GLU A 78 -5.182 -7.638 2.900 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.077 -10.459 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.294 -8.253 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.276 -9.937 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.621 -9.092 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.203 -8.039 5.715 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.954 -9.095 2.437 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.309 -9.376 1.994 1.00 0.00 C ATOM 1190 C GLN A 79 -9.330 -9.642 0.487 1.00 0.00 C ATOM 1191 O GLN A 79 -10.311 -9.334 -0.187 1.00 0.00 O ATOM 1192 CB GLN A 79 -10.256 -8.233 2.362 1.00 0.00 C ATOM 1193 CG GLN A 79 -9.865 -6.943 1.638 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.800 -5.794 2.021 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -11.673 -5.392 1.270 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -10.569 -5.290 3.230 1.00 0.00 N ATOM 0 H GLN A 79 -7.689 -8.111 2.399 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.659 -10.272 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.279 -8.505 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.234 -8.070 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.837 -6.679 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.901 -7.102 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.821 -5.674 3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.140 -4.520 3.579 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.235 -10.212 0.003 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.116 -10.522 -1.410 1.00 0.00 C ATOM 1207 C ALA A 80 -7.659 -11.973 -1.573 1.00 0.00 C ATOM 1208 O ALA A 80 -8.232 -12.724 -2.362 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.156 -9.531 -2.072 1.00 0.00 C ATOM 0 H ALA A 80 -7.423 -10.467 0.565 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.081 -10.422 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.067 -9.764 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.541 -8.518 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.176 -9.604 -1.601 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.633 -12.325 -0.814 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.092 -13.673 -0.863 1.00 0.00 C ATOM 1217 C GLN A 81 -7.227 -14.698 -0.925 1.00 0.00 C ATOM 1218 O GLN A 81 -6.979 -15.898 -1.031 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.177 -13.942 0.334 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.022 -12.938 0.376 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.456 -12.694 -1.024 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.602 -13.417 -1.511 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.977 -11.638 -1.642 1.00 0.00 N ATOM 0 H GLN A 81 -6.161 -11.700 -0.161 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.490 -13.769 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.752 -13.879 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.781 -14.956 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.369 -11.996 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.234 -13.312 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.689 -11.075 -1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.665 -11.391 -2.581 1.00 0.00 H new