USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 691 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 43 LYS NZ :NH3+ -121:sc= 0.976 (180deg=-0.0426) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -126:sc= 1.7 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0136) USER MOD Single : A 24 ASN : amide:sc= 2.06 K(o=2.1,f=-5.2!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0903) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 29 TYR OH : rot -115:sc= 0.0266 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00104 USER MOD Single : A 35 ASN : amide:sc= 1.02 K(o=1,f=-2.2) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc=-0.00302 (180deg=-0.13) USER MOD Single : A 41 CYS SG : rot -6:sc= -0.491 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 145:sc= 0.65 (180deg=0.299) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.489 K(o=-0.49,f=-1.3) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 33:sc= 1.17 USER MOD Single : A 79 TYR OH : rot 180:sc= 0.572 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0.0163 (180deg=-0.0654) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 3.881 -11.634 -1.925 1.00 0.00 N ATOM 50 CA GLU A 4 3.232 -12.390 -0.858 1.00 0.00 C ATOM 51 C GLU A 4 2.310 -11.486 -0.054 1.00 0.00 C ATOM 52 O GLU A 4 2.496 -10.268 -0.024 1.00 0.00 O ATOM 53 CB GLU A 4 4.304 -13.077 0.005 1.00 0.00 C ATOM 54 CG GLU A 4 3.778 -14.040 1.081 1.00 0.00 C ATOM 55 CD GLU A 4 2.878 -15.131 0.512 1.00 0.00 C ATOM 56 OE1 GLU A 4 1.655 -14.874 0.448 1.00 0.00 O ATOM 57 OE2 GLU A 4 3.425 -16.194 0.147 1.00 0.00 O ATOM 0 HA GLU A 4 2.602 -13.173 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.975 -13.629 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.900 -12.306 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.623 -14.502 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.224 -13.473 1.830 1.00 0.00 H new ATOM 64 N ILE A 5 1.302 -12.095 0.574 1.00 0.00 N ATOM 65 CA ILE A 5 0.394 -11.403 1.467 1.00 0.00 C ATOM 66 C ILE A 5 1.166 -11.099 2.749 1.00 0.00 C ATOM 67 O ILE A 5 1.844 -11.975 3.282 1.00 0.00 O ATOM 68 CB ILE A 5 -0.864 -12.237 1.758 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.500 -12.779 0.460 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.885 -11.398 2.543 1.00 0.00 C ATOM 71 CD1 ILE A 5 -2.644 -13.763 0.722 1.00 0.00 C ATOM 0 H ILE A 5 1.098 -13.089 0.471 1.00 0.00 H new ATOM 0 HA ILE A 5 0.042 -10.481 1.004 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.564 -13.094 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.875 -11.943 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.732 -13.273 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.772 -11.999 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.443 -11.077 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.165 -10.523 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.051 -14.109 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.268 -14.615 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.428 -13.266 1.293 1.00 0.00 H new ATOM 83 N ILE A 6 1.078 -9.864 3.235 1.00 0.00 N ATOM 84 CA ILE A 6 1.782 -9.424 4.427 1.00 0.00 C ATOM 85 C ILE A 6 0.856 -9.444 5.638 1.00 0.00 C ATOM 86 O ILE A 6 -0.362 -9.318 5.511 1.00 0.00 O ATOM 87 CB ILE A 6 2.425 -8.047 4.207 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.394 -6.927 3.977 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.432 -8.142 3.054 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.045 -5.564 3.741 1.00 0.00 C ATOM 0 H ILE A 6 0.508 -9.135 2.805 1.00 0.00 H new ATOM 0 HA ILE A 6 2.593 -10.123 4.631 1.00 0.00 H new ATOM 0 HB ILE A 6 2.947 -7.768 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.773 -7.182 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.733 -6.864 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.893 -7.167 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.203 -8.871 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.917 -8.455 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.271 -4.813 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.645 -5.292 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.685 -5.614 2.860 1.00 0.00 H new ATOM 102 N ASP A 7 1.450 -9.598 6.821 1.00 0.00 N ATOM 103 CA ASP A 7 0.741 -9.588 8.086 1.00 0.00 C ATOM 104 C ASP A 7 0.078 -8.226 8.267 1.00 0.00 C ATOM 105 O ASP A 7 0.756 -7.200 8.226 1.00 0.00 O ATOM 106 CB ASP A 7 1.717 -9.842 9.242 1.00 0.00 C ATOM 107 CG ASP A 7 2.463 -11.163 9.094 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.428 -11.175 8.298 1.00 0.00 O ATOM 109 OD2 ASP A 7 2.055 -12.130 9.772 1.00 0.00 O ATOM 0 H ASP A 7 2.456 -9.735 6.921 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.013 -10.375 8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.437 -9.025 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.168 -9.841 10.184 1.00 0.00 H new ATOM 114 N ILE A 8 -1.235 -8.216 8.482 1.00 0.00 N ATOM 115 CA ILE A 8 -1.950 -7.035 8.904 1.00 0.00 C ATOM 116 C ILE A 8 -1.687 -6.839 10.401 1.00 0.00 C ATOM 117 O ILE A 8 -1.924 -7.739 11.202 1.00 0.00 O ATOM 118 CB ILE A 8 -3.445 -7.119 8.545 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.032 -8.514 8.248 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.700 -6.233 7.320 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.111 -9.420 9.477 1.00 0.00 C ATOM 0 H ILE A 8 -1.828 -9.037 8.365 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.591 -6.155 8.371 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.953 -6.793 9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.031 -8.397 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.422 -9.001 7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.755 -6.280 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.430 -5.203 7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.096 -6.585 6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.533 -10.384 9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.111 -9.568 9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.745 -8.955 10.232 1.00 0.00 H new ATOM 133 N GLY A 9 -1.142 -5.680 10.767 1.00 0.00 N ATOM 134 CA GLY A 9 -0.617 -5.394 12.092 1.00 0.00 C ATOM 135 C GLY A 9 -0.031 -3.978 12.090 1.00 0.00 C ATOM 136 O GLY A 9 -0.380 -3.195 11.209 1.00 0.00 O ATOM 0 H GLY A 9 -1.053 -4.892 10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.408 -5.475 12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.150 -6.121 12.360 1.00 0.00 H new ATOM 140 N PRO A 10 0.848 -3.620 13.041 1.00 0.00 N ATOM 141 CA PRO A 10 1.301 -2.246 13.223 1.00 0.00 C ATOM 142 C PRO A 10 1.968 -1.664 11.969 1.00 0.00 C ATOM 143 O PRO A 10 1.660 -0.545 11.573 1.00 0.00 O ATOM 144 CB PRO A 10 2.228 -2.264 14.444 1.00 0.00 C ATOM 145 CG PRO A 10 2.633 -3.731 14.593 1.00 0.00 C ATOM 146 CD PRO A 10 1.421 -4.488 14.054 1.00 0.00 C ATOM 0 HA PRO A 10 0.456 -1.579 13.392 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.098 -1.625 14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.718 -1.900 15.336 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.535 -3.959 14.025 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.838 -3.988 15.632 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.714 -5.448 13.630 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.702 -4.696 14.847 1.00 0.00 H new ATOM 154 N PHE A 11 2.871 -2.416 11.335 1.00 0.00 N ATOM 155 CA PHE A 11 3.540 -2.008 10.102 1.00 0.00 C ATOM 156 C PHE A 11 2.520 -1.598 9.030 1.00 0.00 C ATOM 157 O PHE A 11 2.558 -0.501 8.470 1.00 0.00 O ATOM 158 CB PHE A 11 4.415 -3.172 9.617 1.00 0.00 C ATOM 159 CG PHE A 11 5.108 -2.942 8.288 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.325 -2.235 8.241 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.567 -3.480 7.104 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.007 -2.086 7.021 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.251 -3.331 5.885 1.00 0.00 C ATOM 164 CZ PHE A 11 6.475 -2.641 5.844 1.00 0.00 C ATOM 0 H PHE A 11 3.160 -3.335 11.669 1.00 0.00 H new ATOM 0 HA PHE A 11 4.165 -1.136 10.295 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.172 -3.378 10.374 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.794 -4.064 9.536 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.735 -1.807 9.144 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.625 -4.008 7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.941 -1.544 6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.836 -3.747 4.979 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.006 -2.537 4.909 1.00 0.00 H new ATOM 174 N THR A 12 1.591 -2.507 8.749 1.00 0.00 N ATOM 175 CA THR A 12 0.567 -2.361 7.736 1.00 0.00 C ATOM 176 C THR A 12 -0.335 -1.185 8.093 1.00 0.00 C ATOM 177 O THR A 12 -0.611 -0.333 7.252 1.00 0.00 O ATOM 178 CB THR A 12 -0.221 -3.682 7.662 1.00 0.00 C ATOM 179 OG1 THR A 12 0.246 -4.571 8.667 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.020 -4.350 6.304 1.00 0.00 C ATOM 0 H THR A 12 1.534 -3.397 9.243 1.00 0.00 H new ATOM 0 HA THR A 12 1.004 -2.154 6.759 1.00 0.00 H new ATOM 0 HB THR A 12 -1.278 -3.459 7.808 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.495 -5.426 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.584 -5.282 6.270 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.371 -3.684 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.039 -4.561 6.156 1.00 0.00 H new ATOM 188 N GLN A 13 -0.777 -1.131 9.351 1.00 0.00 N ATOM 189 CA GLN A 13 -1.569 -0.042 9.875 1.00 0.00 C ATOM 190 C GLN A 13 -0.862 1.285 9.625 1.00 0.00 C ATOM 191 O GLN A 13 -1.479 2.198 9.092 1.00 0.00 O ATOM 192 CB GLN A 13 -1.830 -0.282 11.363 1.00 0.00 C ATOM 193 CG GLN A 13 -2.842 -1.413 11.597 1.00 0.00 C ATOM 194 CD GLN A 13 -2.759 -1.972 13.017 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.245 -1.328 13.924 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.253 -3.189 13.225 1.00 0.00 N ATOM 0 H GLN A 13 -0.585 -1.861 10.038 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.531 0.004 9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.892 -0.527 11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.201 0.636 11.818 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.850 -1.041 11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.662 -2.215 10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.676 -3.706 12.454 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.209 -3.605 14.155 1.00 0.00 H new ATOM 205 N ASN A 14 0.426 1.386 9.964 1.00 0.00 N ATOM 206 CA ASN A 14 1.221 2.587 9.740 1.00 0.00 C ATOM 207 C ASN A 14 1.194 2.991 8.264 1.00 0.00 C ATOM 208 O ASN A 14 0.920 4.144 7.934 1.00 0.00 O ATOM 209 CB ASN A 14 2.659 2.368 10.228 1.00 0.00 C ATOM 210 CG ASN A 14 3.516 3.625 10.093 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.014 4.742 10.107 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.829 3.454 9.972 1.00 0.00 N ATOM 0 H ASN A 14 0.947 0.628 10.405 1.00 0.00 H new ATOM 0 HA ASN A 14 0.785 3.405 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.642 2.053 11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.114 1.558 9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.443 4.264 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.222 2.513 9.963 1.00 0.00 H new ATOM 219 N LEU A 15 1.450 2.041 7.358 1.00 0.00 N ATOM 220 CA LEU A 15 1.402 2.332 5.928 1.00 0.00 C ATOM 221 C LEU A 15 0.009 2.811 5.506 1.00 0.00 C ATOM 222 O LEU A 15 -0.116 3.792 4.774 1.00 0.00 O ATOM 223 CB LEU A 15 1.854 1.116 5.109 1.00 0.00 C ATOM 224 CG LEU A 15 3.367 0.869 5.216 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.699 -0.508 4.634 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.184 1.919 4.452 1.00 0.00 C ATOM 0 H LEU A 15 1.689 1.077 7.589 1.00 0.00 H new ATOM 0 HA LEU A 15 2.098 3.145 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.319 0.231 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.586 1.265 4.063 1.00 0.00 H new ATOM 0 HG LEU A 15 3.629 0.929 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.772 -0.686 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.164 -1.277 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.398 -0.543 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.247 1.701 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.912 1.894 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.974 2.909 4.858 1.00 0.00 H new ATOM 238 N GLY A 16 -1.042 2.143 5.982 1.00 0.00 N ATOM 239 CA GLY A 16 -2.415 2.552 5.722 1.00 0.00 C ATOM 240 C GLY A 16 -2.665 3.981 6.208 1.00 0.00 C ATOM 241 O GLY A 16 -3.210 4.811 5.483 1.00 0.00 O ATOM 0 H GLY A 16 -0.962 1.305 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.621 2.487 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.102 1.869 6.222 1.00 0.00 H new ATOM 245 N LYS A 17 -2.240 4.273 7.437 1.00 0.00 N ATOM 246 CA LYS A 17 -2.304 5.586 8.047 1.00 0.00 C ATOM 247 C LYS A 17 -1.657 6.610 7.132 1.00 0.00 C ATOM 248 O LYS A 17 -2.267 7.616 6.805 1.00 0.00 O ATOM 249 CB LYS A 17 -1.551 5.551 9.385 1.00 0.00 C ATOM 250 CG LYS A 17 -2.419 5.896 10.590 1.00 0.00 C ATOM 251 CD LYS A 17 -1.484 5.875 11.802 1.00 0.00 C ATOM 252 CE LYS A 17 -2.231 6.097 13.122 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.878 7.420 13.175 1.00 0.00 N ATOM 0 H LYS A 17 -1.828 3.571 8.051 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.346 5.862 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.128 4.557 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.715 6.249 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.881 6.876 10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.227 5.175 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.964 4.918 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.724 6.647 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.985 5.320 13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.533 6.001 13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.343 7.542 14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.161 8.162 13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.587 7.490 12.418 1.00 0.00 H new ATOM 267 N PHE A 18 -0.415 6.347 6.738 1.00 0.00 N ATOM 268 CA PHE A 18 0.363 7.195 5.858 1.00 0.00 C ATOM 269 C PHE A 18 -0.382 7.437 4.547 1.00 0.00 C ATOM 270 O PHE A 18 -0.499 8.578 4.101 1.00 0.00 O ATOM 271 CB PHE A 18 1.733 6.540 5.659 1.00 0.00 C ATOM 272 CG PHE A 18 2.599 7.135 4.572 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.140 8.423 4.733 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.958 6.356 3.455 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.102 8.896 3.825 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.923 6.829 2.550 1.00 0.00 C ATOM 277 CZ PHE A 18 4.529 8.079 2.766 1.00 0.00 C ATOM 0 H PHE A 18 0.088 5.511 7.035 1.00 0.00 H new ATOM 0 HA PHE A 18 0.513 8.181 6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.279 6.592 6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.580 5.484 5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.817 9.047 5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.492 5.395 3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.513 9.888 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.198 6.234 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.325 8.412 2.116 1.00 0.00 H new ATOM 287 N ALA A 19 -0.928 6.376 3.954 1.00 0.00 N ATOM 288 CA ALA A 19 -1.714 6.490 2.736 1.00 0.00 C ATOM 289 C ALA A 19 -2.886 7.449 2.944 1.00 0.00 C ATOM 290 O ALA A 19 -3.074 8.395 2.177 1.00 0.00 O ATOM 291 CB ALA A 19 -2.181 5.107 2.272 1.00 0.00 C ATOM 0 H ALA A 19 -0.837 5.422 4.304 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.089 6.907 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.768 5.209 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.313 4.476 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.794 4.650 3.049 1.00 0.00 H new ATOM 297 N VAL A 20 -3.663 7.217 4.004 1.00 0.00 N ATOM 298 CA VAL A 20 -4.818 8.052 4.305 1.00 0.00 C ATOM 299 C VAL A 20 -4.376 9.481 4.621 1.00 0.00 C ATOM 300 O VAL A 20 -5.037 10.428 4.210 1.00 0.00 O ATOM 301 CB VAL A 20 -5.653 7.437 5.438 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.791 8.372 5.874 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.279 6.120 4.963 1.00 0.00 C ATOM 0 H VAL A 20 -3.510 6.456 4.666 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.460 8.098 3.425 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.984 7.271 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.360 7.903 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.372 9.314 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.450 8.563 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.871 5.687 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.922 6.312 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.490 5.424 4.678 1.00 0.00 H new ATOM 313 N ASP A 21 -3.268 9.649 5.343 1.00 0.00 N ATOM 314 CA ASP A 21 -2.738 10.944 5.725 1.00 0.00 C ATOM 315 C ASP A 21 -2.383 11.738 4.472 1.00 0.00 C ATOM 316 O ASP A 21 -2.819 12.872 4.319 1.00 0.00 O ATOM 317 CB ASP A 21 -1.527 10.760 6.646 1.00 0.00 C ATOM 318 CG ASP A 21 -0.853 12.098 6.932 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.397 12.835 7.781 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.189 12.359 6.292 1.00 0.00 O ATOM 0 H ASP A 21 -2.707 8.868 5.682 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.490 11.507 6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.844 10.300 7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.812 10.080 6.182 1.00 0.00 H new ATOM 325 N GLU A 22 -1.621 11.125 3.568 1.00 0.00 N ATOM 326 CA GLU A 22 -1.242 11.707 2.292 1.00 0.00 C ATOM 327 C GLU A 22 -2.505 12.104 1.522 1.00 0.00 C ATOM 328 O GLU A 22 -2.638 13.237 1.061 1.00 0.00 O ATOM 329 CB GLU A 22 -0.391 10.690 1.510 1.00 0.00 C ATOM 330 CG GLU A 22 0.253 11.292 0.253 1.00 0.00 C ATOM 331 CD GLU A 22 1.374 12.267 0.601 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.501 11.772 0.825 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.085 13.482 0.642 1.00 0.00 O ATOM 0 H GLU A 22 -1.244 10.188 3.711 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.645 12.606 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.391 10.301 2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.017 9.845 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.649 10.491 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.508 11.807 -0.334 1.00 0.00 H new ATOM 340 N GLU A 23 -3.448 11.163 1.398 1.00 0.00 N ATOM 341 CA GLU A 23 -4.684 11.400 0.675 1.00 0.00 C ATOM 342 C GLU A 23 -5.414 12.602 1.274 1.00 0.00 C ATOM 343 O GLU A 23 -5.769 13.521 0.545 1.00 0.00 O ATOM 344 CB GLU A 23 -5.539 10.127 0.683 1.00 0.00 C ATOM 345 CG GLU A 23 -6.654 10.175 -0.367 1.00 0.00 C ATOM 346 CD GLU A 23 -7.772 11.160 -0.032 1.00 0.00 C ATOM 347 OE1 GLU A 23 -8.383 10.974 1.040 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.997 12.079 -0.850 1.00 0.00 O ATOM 0 H GLU A 23 -3.369 10.227 1.795 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.470 11.641 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.902 9.262 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.978 9.992 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.222 10.444 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.081 9.178 -0.476 1.00 0.00 H new ATOM 355 N ASN A 24 -5.611 12.605 2.593 1.00 0.00 N ATOM 356 CA ASN A 24 -6.228 13.689 3.335 1.00 0.00 C ATOM 357 C ASN A 24 -5.485 14.995 3.066 1.00 0.00 C ATOM 358 O ASN A 24 -6.114 16.033 2.874 1.00 0.00 O ATOM 359 CB ASN A 24 -6.172 13.378 4.840 1.00 0.00 C ATOM 360 CG ASN A 24 -7.399 12.665 5.406 1.00 0.00 C ATOM 361 OD1 ASN A 24 -8.218 12.098 4.690 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.555 12.714 6.726 1.00 0.00 N ATOM 0 H ASN A 24 -5.334 11.824 3.188 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.265 13.791 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.293 12.763 5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.033 14.313 5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.367 12.275 7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.863 13.190 7.304 1.00 0.00 H new ATOM 369 N LYS A 25 -4.148 14.952 3.082 1.00 0.00 N ATOM 370 CA LYS A 25 -3.317 16.133 2.901 1.00 0.00 C ATOM 371 C LYS A 25 -3.627 16.804 1.559 1.00 0.00 C ATOM 372 O LYS A 25 -3.721 18.027 1.490 1.00 0.00 O ATOM 373 CB LYS A 25 -1.834 15.751 3.030 1.00 0.00 C ATOM 374 CG LYS A 25 -0.940 16.960 3.324 1.00 0.00 C ATOM 375 CD LYS A 25 0.519 16.489 3.415 1.00 0.00 C ATOM 376 CE LYS A 25 1.456 17.606 3.891 1.00 0.00 C ATOM 377 NZ LYS A 25 1.212 17.960 5.301 1.00 0.00 N ATOM 0 H LYS A 25 -3.617 14.092 3.222 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.541 16.860 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.719 15.016 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.503 15.275 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.046 17.708 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.242 17.434 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.585 15.644 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.846 16.133 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.492 17.288 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.318 18.488 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.967 18.591 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.295 18.443 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.201 17.096 5.879 1.00 0.00 H new ATOM 391 N ILE A 26 -3.786 16.006 0.497 1.00 0.00 N ATOM 392 CA ILE A 26 -4.174 16.529 -0.810 1.00 0.00 C ATOM 393 C ILE A 26 -5.659 16.926 -0.788 1.00 0.00 C ATOM 394 O ILE A 26 -6.026 18.000 -1.259 1.00 0.00 O ATOM 395 CB ILE A 26 -3.848 15.514 -1.925 1.00 0.00 C ATOM 396 CG1 ILE A 26 -2.362 15.100 -1.882 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.154 16.143 -3.295 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.048 13.926 -2.816 1.00 0.00 C ATOM 0 H ILE A 26 -3.651 14.995 0.521 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.595 17.426 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.462 14.627 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.743 15.954 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.094 14.828 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.924 15.427 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.209 16.411 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.546 17.038 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.989 13.678 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.644 13.061 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.287 14.204 -3.843 1.00 0.00 H new ATOM 410 N GLY A 27 -6.515 16.051 -0.255 1.00 0.00 N ATOM 411 CA GLY A 27 -7.933 16.286 -0.038 1.00 0.00 C ATOM 412 C GLY A 27 -8.792 15.842 -1.220 1.00 0.00 C ATOM 413 O GLY A 27 -9.947 16.254 -1.319 1.00 0.00 O ATOM 0 H GLY A 27 -6.221 15.123 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.252 15.754 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.097 17.348 0.146 1.00 0.00 H new ATOM 417 N GLN A 28 -8.267 14.980 -2.100 1.00 0.00 N ATOM 418 CA GLN A 28 -8.984 14.520 -3.289 1.00 0.00 C ATOM 419 C GLN A 28 -10.345 13.927 -2.921 1.00 0.00 C ATOM 420 O GLN A 28 -11.341 14.204 -3.586 1.00 0.00 O ATOM 421 CB GLN A 28 -8.149 13.493 -4.065 1.00 0.00 C ATOM 422 CG GLN A 28 -6.889 14.130 -4.660 1.00 0.00 C ATOM 423 CD GLN A 28 -6.073 13.133 -5.480 1.00 0.00 C ATOM 424 OE1 GLN A 28 -6.056 11.941 -5.192 1.00 0.00 O ATOM 425 NE2 GLN A 28 -5.382 13.609 -6.513 1.00 0.00 N ATOM 0 H GLN A 28 -7.332 14.583 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.153 15.387 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.866 12.676 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.752 13.061 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.173 14.972 -5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.271 14.529 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.413 14.605 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.822 12.978 -7.086 1.00 0.00 H new ATOM 434 N TYR A 29 -10.378 13.122 -1.857 1.00 0.00 N ATOM 435 CA TYR A 29 -11.602 12.536 -1.315 1.00 0.00 C ATOM 436 C TYR A 29 -11.977 13.209 0.016 1.00 0.00 C ATOM 437 O TYR A 29 -12.603 12.604 0.883 1.00 0.00 O ATOM 438 CB TYR A 29 -11.436 11.008 -1.221 1.00 0.00 C ATOM 439 CG TYR A 29 -12.188 10.238 -2.289 1.00 0.00 C ATOM 440 CD1 TYR A 29 -13.559 9.975 -2.115 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.542 9.830 -3.471 1.00 0.00 C ATOM 442 CE1 TYR A 29 -14.288 9.322 -3.124 1.00 0.00 C ATOM 443 CE2 TYR A 29 -12.272 9.173 -4.478 1.00 0.00 C ATOM 444 CZ TYR A 29 -13.649 8.945 -4.316 1.00 0.00 C ATOM 445 OH TYR A 29 -14.373 8.406 -5.337 1.00 0.00 O ATOM 0 H TYR A 29 -9.540 12.856 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.444 12.720 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.376 10.763 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.777 10.676 -0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.053 10.276 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.487 10.021 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -15.338 9.111 -2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.773 8.843 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.090 7.480 -5.486 1.00 0.00 H new ATOM 455 N GLY A 30 -11.634 14.490 0.166 1.00 0.00 N ATOM 456 CA GLY A 30 -11.926 15.250 1.369 1.00 0.00 C ATOM 457 C GLY A 30 -11.119 14.732 2.559 1.00 0.00 C ATOM 458 O GLY A 30 -10.020 14.207 2.390 1.00 0.00 O ATOM 0 H GLY A 30 -11.144 15.026 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.698 16.303 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.991 15.187 1.593 1.00 0.00 H new ATOM 462 N ARG A 31 -11.662 14.907 3.768 1.00 0.00 N ATOM 463 CA ARG A 31 -11.057 14.448 5.008 1.00 0.00 C ATOM 464 C ARG A 31 -11.722 13.144 5.439 1.00 0.00 C ATOM 465 O ARG A 31 -12.916 13.137 5.737 1.00 0.00 O ATOM 466 CB ARG A 31 -11.259 15.485 6.123 1.00 0.00 C ATOM 467 CG ARG A 31 -10.298 16.679 6.070 1.00 0.00 C ATOM 468 CD ARG A 31 -10.624 17.671 4.949 1.00 0.00 C ATOM 469 NE ARG A 31 -9.897 18.935 5.138 1.00 0.00 N ATOM 470 CZ ARG A 31 -10.220 19.886 6.028 1.00 0.00 C ATOM 471 NH1 ARG A 31 -11.292 19.745 6.816 1.00 0.00 N ATOM 472 NH2 ARG A 31 -9.459 20.981 6.128 1.00 0.00 N ATOM 0 H ARG A 31 -12.553 15.383 3.907 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.990 14.300 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.282 15.857 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.147 14.988 7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.325 17.201 7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.281 16.312 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.360 17.236 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.697 17.863 4.929 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.083 19.102 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.872 18.909 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.529 20.473 7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.640 21.089 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.698 21.708 6.802 1.00 0.00 H new ATOM 486 N LEU A 32 -10.949 12.063 5.517 1.00 0.00 N ATOM 487 CA LEU A 32 -11.353 10.817 6.148 1.00 0.00 C ATOM 488 C LEU A 32 -10.562 10.661 7.440 1.00 0.00 C ATOM 489 O LEU A 32 -9.855 11.568 7.882 1.00 0.00 O ATOM 490 CB LEU A 32 -11.112 9.642 5.190 1.00 0.00 C ATOM 491 CG LEU A 32 -11.839 9.861 3.855 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.838 10.268 2.773 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.573 8.588 3.429 1.00 0.00 C ATOM 0 H LEU A 32 -10.004 12.032 5.134 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.418 10.829 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.043 9.528 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.459 8.717 5.650 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.569 10.659 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.363 10.421 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.342 11.193 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.094 9.480 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.082 8.762 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.855 7.776 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.305 8.318 4.190 1.00 0.00 H new ATOM 505 N THR A 33 -10.678 9.498 8.069 1.00 0.00 N ATOM 506 CA THR A 33 -9.892 9.134 9.227 1.00 0.00 C ATOM 507 C THR A 33 -9.554 7.660 9.066 1.00 0.00 C ATOM 508 O THR A 33 -10.445 6.848 8.825 1.00 0.00 O ATOM 509 CB THR A 33 -10.712 9.438 10.483 1.00 0.00 C ATOM 510 OG1 THR A 33 -11.041 10.815 10.486 1.00 0.00 O ATOM 511 CG2 THR A 33 -9.945 9.114 11.767 1.00 0.00 C ATOM 0 H THR A 33 -11.334 8.773 7.779 1.00 0.00 H new ATOM 0 HA THR A 33 -8.963 9.696 9.320 1.00 0.00 H new ATOM 0 HB THR A 33 -11.605 8.814 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.568 11.024 11.285 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.567 9.346 12.631 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.687 8.055 11.780 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.033 9.710 11.806 1.00 0.00 H new ATOM 519 N PHE A 34 -8.265 7.324 9.122 1.00 0.00 N ATOM 520 CA PHE A 34 -7.822 5.946 8.997 1.00 0.00 C ATOM 521 C PHE A 34 -8.532 5.084 10.033 1.00 0.00 C ATOM 522 O PHE A 34 -8.604 5.465 11.202 1.00 0.00 O ATOM 523 CB PHE A 34 -6.307 5.878 9.169 1.00 0.00 C ATOM 524 CG PHE A 34 -5.772 4.485 9.399 1.00 0.00 C ATOM 525 CD1 PHE A 34 -5.517 3.643 8.304 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.622 4.000 10.711 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.052 2.339 8.524 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.131 2.703 10.929 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.823 1.883 9.833 1.00 0.00 C ATOM 0 H PHE A 34 -7.509 7.996 9.254 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.072 5.565 8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.833 6.295 8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.019 6.509 10.010 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.678 3.999 7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.885 4.626 11.551 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.869 1.683 7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.991 2.338 11.936 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.409 0.899 9.996 1.00 0.00 H new ATOM 539 N ASN A 35 -9.058 3.943 9.588 1.00 0.00 N ATOM 540 CA ASN A 35 -9.790 3.020 10.444 1.00 0.00 C ATOM 541 C ASN A 35 -8.927 1.787 10.686 1.00 0.00 C ATOM 542 O ASN A 35 -8.480 1.550 11.805 1.00 0.00 O ATOM 543 CB ASN A 35 -11.135 2.674 9.796 1.00 0.00 C ATOM 544 CG ASN A 35 -12.164 2.246 10.837 1.00 0.00 C ATOM 545 OD1 ASN A 35 -11.900 1.366 11.646 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.347 2.851 10.836 1.00 0.00 N ATOM 0 H ASN A 35 -8.986 3.635 8.618 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.007 3.475 11.411 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.509 3.539 9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.995 1.873 9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.057 2.585 11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.545 3.582 10.153 1.00 0.00 H new ATOM 553 N LYS A 36 -8.661 1.031 9.615 1.00 0.00 N ATOM 554 CA LYS A 36 -7.733 -0.101 9.639 1.00 0.00 C ATOM 555 C LYS A 36 -7.347 -0.519 8.218 1.00 0.00 C ATOM 556 O LYS A 36 -7.757 0.122 7.253 1.00 0.00 O ATOM 557 CB LYS A 36 -8.240 -1.280 10.500 1.00 0.00 C ATOM 558 CG LYS A 36 -9.493 -2.018 10.006 1.00 0.00 C ATOM 559 CD LYS A 36 -10.775 -1.235 10.313 1.00 0.00 C ATOM 560 CE LYS A 36 -12.032 -2.108 10.237 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.100 -3.065 11.357 1.00 0.00 N ATOM 0 H LYS A 36 -9.087 1.190 8.702 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.823 0.236 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.432 -2.006 10.588 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.442 -0.904 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.417 -2.183 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.546 -3.000 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.700 -0.799 11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.868 -0.408 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.918 -1.473 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.041 -2.652 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.052 -3.481 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.399 -3.819 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.897 -2.570 12.249 1.00 0.00 H new ATOM 575 N VAL A 37 -6.570 -1.599 8.087 1.00 0.00 N ATOM 576 CA VAL A 37 -6.215 -2.241 6.827 1.00 0.00 C ATOM 577 C VAL A 37 -6.718 -3.677 6.916 1.00 0.00 C ATOM 578 O VAL A 37 -6.620 -4.268 7.991 1.00 0.00 O ATOM 579 CB VAL A 37 -4.688 -2.217 6.637 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.293 -2.753 5.260 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.123 -0.805 6.784 1.00 0.00 C ATOM 0 H VAL A 37 -6.156 -2.066 8.894 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.660 -1.724 5.977 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.271 -2.856 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.208 -2.723 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.640 -3.781 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.749 -2.137 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.042 -0.829 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.572 -0.153 6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.351 -0.424 7.779 1.00 0.00 H new ATOM 591 N ILE A 38 -7.252 -4.235 5.823 1.00 0.00 N ATOM 592 CA ILE A 38 -7.682 -5.627 5.782 1.00 0.00 C ATOM 593 C ILE A 38 -7.320 -6.253 4.436 1.00 0.00 C ATOM 594 O ILE A 38 -6.904 -5.559 3.510 1.00 0.00 O ATOM 595 CB ILE A 38 -9.174 -5.788 6.156 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.152 -4.938 5.329 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.399 -5.470 7.640 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.357 -5.454 3.904 1.00 0.00 C ATOM 0 H ILE A 38 -7.395 -3.731 4.948 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.139 -6.180 6.548 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.394 -6.831 5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.115 -4.909 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.783 -3.913 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.455 -5.589 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.807 -6.151 8.252 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.094 -4.443 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.059 -4.806 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.403 -5.457 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.756 -6.468 3.938 1.00 0.00 H new ATOM 610 N ARG A 39 -7.437 -7.581 4.356 1.00 0.00 N ATOM 611 CA ARG A 39 -7.054 -8.356 3.185 1.00 0.00 C ATOM 612 C ARG A 39 -7.828 -7.910 1.930 1.00 0.00 C ATOM 613 O ARG A 39 -8.997 -7.542 2.038 1.00 0.00 O ATOM 614 CB ARG A 39 -7.256 -9.857 3.462 1.00 0.00 C ATOM 615 CG ARG A 39 -8.621 -10.186 4.091 1.00 0.00 C ATOM 616 CD ARG A 39 -8.498 -10.498 5.591 1.00 0.00 C ATOM 617 NE ARG A 39 -9.782 -10.332 6.286 1.00 0.00 N ATOM 618 CZ ARG A 39 -10.819 -11.179 6.222 1.00 0.00 C ATOM 619 NH1 ARG A 39 -10.750 -12.287 5.475 1.00 0.00 N ATOM 620 NH2 ARG A 39 -11.931 -10.909 6.912 1.00 0.00 N ATOM 0 H ARG A 39 -7.806 -8.151 5.117 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.998 -8.176 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.153 -10.408 2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.465 -10.206 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.299 -9.344 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.062 -11.040 3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.142 -11.520 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.753 -9.841 6.040 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.894 -9.501 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.902 -12.494 4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.545 -12.925 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.986 -10.064 7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.725 -11.548 6.870 1.00 0.00 H new ATOM 634 N PRO A 40 -7.229 -7.990 0.731 1.00 0.00 N ATOM 635 CA PRO A 40 -5.871 -8.443 0.473 1.00 0.00 C ATOM 636 C PRO A 40 -4.852 -7.346 0.804 1.00 0.00 C ATOM 637 O PRO A 40 -5.160 -6.151 0.779 1.00 0.00 O ATOM 638 CB PRO A 40 -5.848 -8.811 -1.013 1.00 0.00 C ATOM 639 CG PRO A 40 -6.867 -7.849 -1.620 1.00 0.00 C ATOM 640 CD PRO A 40 -7.920 -7.713 -0.517 1.00 0.00 C ATOM 0 HA PRO A 40 -5.596 -9.293 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.857 -8.676 -1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.128 -9.852 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.416 -6.888 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.297 -8.245 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.352 -6.712 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.741 -8.413 -0.672 1.00 0.00 H new ATOM 648 N CYS A 41 -3.632 -7.771 1.142 1.00 0.00 N ATOM 649 CA CYS A 41 -2.517 -6.904 1.473 1.00 0.00 C ATOM 650 C CYS A 41 -1.272 -7.554 0.890 1.00 0.00 C ATOM 651 O CYS A 41 -0.645 -8.362 1.571 1.00 0.00 O ATOM 652 CB CYS A 41 -2.375 -6.763 2.994 1.00 0.00 C ATOM 653 SG CYS A 41 -3.877 -6.135 3.778 1.00 0.00 S ATOM 0 H CYS A 41 -3.394 -8.761 1.192 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.670 -5.904 1.066 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.124 -7.733 3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.546 -6.092 3.217 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.736 -5.797 2.862 1.00 0.00 H new ATOM 659 N MET A 42 -0.946 -7.267 -0.371 1.00 0.00 N ATOM 660 CA MET A 42 0.054 -8.011 -1.124 1.00 0.00 C ATOM 661 C MET A 42 1.285 -7.141 -1.409 1.00 0.00 C ATOM 662 O MET A 42 1.160 -6.061 -1.987 1.00 0.00 O ATOM 663 CB MET A 42 -0.609 -8.559 -2.396 1.00 0.00 C ATOM 664 CG MET A 42 -0.045 -9.933 -2.770 1.00 0.00 C ATOM 665 SD MET A 42 -0.617 -10.561 -4.368 1.00 0.00 S ATOM 666 CE MET A 42 0.178 -12.181 -4.365 1.00 0.00 C ATOM 0 H MET A 42 -1.374 -6.506 -0.898 1.00 0.00 H new ATOM 0 HA MET A 42 0.424 -8.855 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.686 -8.635 -2.244 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.452 -7.863 -3.220 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.043 -9.875 -2.784 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.316 -10.648 -1.993 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.070 -12.710 -5.285 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.259 -12.056 -4.298 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.174 -12.757 -3.510 1.00 0.00 H new ATOM 676 N LYS A 43 2.468 -7.604 -0.989 1.00 0.00 N ATOM 677 CA LYS A 43 3.739 -6.914 -1.214 1.00 0.00 C ATOM 678 C LYS A 43 4.500 -7.531 -2.390 1.00 0.00 C ATOM 679 O LYS A 43 4.625 -8.753 -2.427 1.00 0.00 O ATOM 680 CB LYS A 43 4.567 -7.042 0.067 1.00 0.00 C ATOM 681 CG LYS A 43 6.016 -6.566 -0.076 1.00 0.00 C ATOM 682 CD LYS A 43 6.750 -6.884 1.229 1.00 0.00 C ATOM 683 CE LYS A 43 8.252 -6.659 1.079 1.00 0.00 C ATOM 684 NZ LYS A 43 8.581 -5.242 0.855 1.00 0.00 N ATOM 0 H LYS A 43 2.568 -8.480 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 43 3.554 -5.868 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.084 -6.469 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.568 -8.085 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.500 -7.064 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.047 -5.496 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.363 -6.256 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.560 -7.919 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.762 -7.012 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.625 -7.253 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.084 -5.141 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.705 -4.682 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.187 -4.900 1.628 1.00 0.00 H new ATOM 698 N LYS A 44 5.075 -6.697 -3.273 1.00 0.00 N ATOM 699 CA LYS A 44 5.989 -7.077 -4.357 1.00 0.00 C ATOM 700 C LYS A 44 7.314 -6.314 -4.198 1.00 0.00 C ATOM 701 O LYS A 44 7.331 -5.212 -3.655 1.00 0.00 O ATOM 702 CB LYS A 44 5.355 -6.720 -5.712 1.00 0.00 C ATOM 703 CG LYS A 44 6.078 -7.327 -6.926 1.00 0.00 C ATOM 704 CD LYS A 44 5.608 -6.669 -8.230 1.00 0.00 C ATOM 705 CE LYS A 44 6.352 -7.250 -9.441 1.00 0.00 C ATOM 706 NZ LYS A 44 7.747 -6.776 -9.507 1.00 0.00 N ATOM 0 H LYS A 44 4.905 -5.692 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 44 6.177 -8.150 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.318 -7.056 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.338 -5.635 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.154 -7.196 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.890 -8.400 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.535 -6.820 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.775 -5.593 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.340 -8.339 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.830 -6.971 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.354 -7.534 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.803 -5.948 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.069 -6.511 -8.554 1.00 0.00 H new ATOM 720 N THR A 45 8.413 -6.873 -4.712 1.00 0.00 N ATOM 721 CA THR A 45 9.701 -6.197 -4.838 1.00 0.00 C ATOM 722 C THR A 45 9.789 -5.477 -6.189 1.00 0.00 C ATOM 723 O THR A 45 9.362 -6.031 -7.201 1.00 0.00 O ATOM 724 CB THR A 45 10.816 -7.236 -4.670 1.00 0.00 C ATOM 725 OG1 THR A 45 10.658 -7.834 -3.401 1.00 0.00 O ATOM 726 CG2 THR A 45 12.214 -6.620 -4.742 1.00 0.00 C ATOM 0 H THR A 45 8.429 -7.832 -5.060 1.00 0.00 H new ATOM 0 HA THR A 45 9.811 -5.438 -4.063 1.00 0.00 H new ATOM 0 HB THR A 45 10.734 -7.956 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.359 -8.506 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.963 -7.402 -4.617 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.350 -6.139 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.327 -5.880 -3.950 1.00 0.00 H new ATOM 734 N ILE A 46 10.343 -4.257 -6.206 1.00 0.00 N ATOM 735 CA ILE A 46 10.534 -3.442 -7.402 1.00 0.00 C ATOM 736 C ILE A 46 12.024 -3.410 -7.761 1.00 0.00 C ATOM 737 O ILE A 46 12.878 -3.032 -6.950 1.00 0.00 O ATOM 738 CB ILE A 46 9.875 -2.050 -7.243 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.873 -1.789 -8.380 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.850 -0.865 -7.197 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.590 -2.597 -8.178 1.00 0.00 C ATOM 0 H ILE A 46 10.679 -3.800 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 46 10.020 -3.889 -8.253 1.00 0.00 H new ATOM 0 HB ILE A 46 9.385 -2.101 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.635 -0.726 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.326 -2.052 -9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.290 0.063 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.528 -0.985 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.425 -0.831 -8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.899 -2.393 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.829 -3.660 -8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.127 -2.314 -7.233 1.00 0.00 H new ATOM 753 N TYR A 47 12.334 -3.839 -8.986 1.00 0.00 N ATOM 754 CA TYR A 47 13.689 -3.928 -9.491 1.00 0.00 C ATOM 755 C TYR A 47 13.765 -3.487 -10.948 1.00 0.00 C ATOM 756 O TYR A 47 12.755 -3.479 -11.649 1.00 0.00 O ATOM 757 CB TYR A 47 14.201 -5.361 -9.320 1.00 0.00 C ATOM 758 CG TYR A 47 13.396 -6.440 -10.009 1.00 0.00 C ATOM 759 CD1 TYR A 47 13.632 -6.737 -11.364 1.00 0.00 C ATOM 760 CD2 TYR A 47 12.555 -7.270 -9.247 1.00 0.00 C ATOM 761 CE1 TYR A 47 13.032 -7.860 -11.952 1.00 0.00 C ATOM 762 CE2 TYR A 47 11.977 -8.408 -9.828 1.00 0.00 C ATOM 763 CZ TYR A 47 12.206 -8.700 -11.183 1.00 0.00 C ATOM 764 OH TYR A 47 11.640 -9.808 -11.740 1.00 0.00 O ATOM 0 H TYR A 47 11.630 -4.138 -9.661 1.00 0.00 H new ATOM 0 HA TYR A 47 14.325 -3.253 -8.919 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.225 -5.406 -9.691 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.238 -5.588 -8.254 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.276 -6.100 -11.952 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.354 -7.031 -8.213 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.204 -8.080 -12.995 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.355 -9.061 -9.233 1.00 0.00 H new ATOM 0 HH TYR A 47 11.101 -10.274 -11.067 1.00 0.00 H new ATOM 884 N ILE A 55 17.426 -4.626 -7.445 1.00 0.00 N ATOM 885 CA ILE A 55 16.350 -4.240 -6.543 1.00 0.00 C ATOM 886 C ILE A 55 16.513 -2.762 -6.198 1.00 0.00 C ATOM 887 O ILE A 55 17.497 -2.383 -5.566 1.00 0.00 O ATOM 888 CB ILE A 55 16.318 -5.151 -5.302 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.020 -6.599 -5.740 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.249 -4.652 -4.315 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.170 -7.619 -4.606 1.00 0.00 C ATOM 0 HA ILE A 55 15.382 -4.371 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 55 17.286 -5.125 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.005 -6.650 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.692 -6.870 -6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.231 -5.301 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.485 -3.633 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.272 -4.668 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.946 -8.617 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.192 -7.595 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.479 -7.372 -3.800 1.00 0.00 H new ATOM 903 N LYS A 56 15.552 -1.935 -6.616 1.00 0.00 N ATOM 904 CA LYS A 56 15.521 -0.525 -6.262 1.00 0.00 C ATOM 905 C LYS A 56 14.706 -0.357 -4.983 1.00 0.00 C ATOM 906 O LYS A 56 14.969 0.547 -4.190 1.00 0.00 O ATOM 907 CB LYS A 56 14.921 0.300 -7.410 1.00 0.00 C ATOM 908 CG LYS A 56 15.243 1.794 -7.231 1.00 0.00 C ATOM 909 CD LYS A 56 14.347 2.705 -8.078 1.00 0.00 C ATOM 910 CE LYS A 56 14.481 2.419 -9.576 1.00 0.00 C ATOM 911 NZ LYS A 56 13.680 3.365 -10.373 1.00 0.00 N ATOM 0 H LYS A 56 14.776 -2.230 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 56 16.535 -0.163 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.317 -0.051 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.841 0.157 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.133 2.060 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.285 1.970 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.308 2.572 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.604 3.746 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.528 2.488 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.158 1.399 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.790 3.147 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.678 3.281 -10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.006 4.336 -10.190 1.00 0.00 H new ATOM 925 N GLY A 57 13.682 -1.191 -4.787 1.00 0.00 N ATOM 926 CA GLY A 57 12.727 -0.956 -3.728 1.00 0.00 C ATOM 927 C GLY A 57 11.622 -2.000 -3.738 1.00 0.00 C ATOM 928 O GLY A 57 11.853 -3.145 -4.124 1.00 0.00 O ATOM 0 H GLY A 57 13.503 -2.024 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.237 -0.973 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.293 0.037 -3.841 1.00 0.00 H new ATOM 932 N TYR A 58 10.419 -1.610 -3.315 1.00 0.00 N ATOM 933 CA TYR A 58 9.274 -2.490 -3.178 1.00 0.00 C ATOM 934 C TYR A 58 7.997 -1.713 -3.469 1.00 0.00 C ATOM 935 O TYR A 58 8.023 -0.481 -3.533 1.00 0.00 O ATOM 936 CB TYR A 58 9.218 -3.056 -1.752 1.00 0.00 C ATOM 937 CG TYR A 58 10.539 -3.558 -1.200 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.398 -2.653 -0.552 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.973 -4.873 -1.447 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.713 -3.028 -0.239 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.291 -5.249 -1.135 1.00 0.00 C ATOM 942 CZ TYR A 58 13.172 -4.315 -0.564 1.00 0.00 C ATOM 943 OH TYR A 58 14.467 -4.652 -0.305 1.00 0.00 O ATOM 0 H TYR A 58 10.216 -0.645 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 58 9.368 -3.313 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.836 -2.282 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.500 -3.876 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.044 -1.666 -0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.293 -5.594 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.372 -2.327 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.627 -6.256 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 58 14.627 -5.577 -0.587 1.00 0.00 H new ATOM 953 N GLU A 59 6.883 -2.438 -3.604 1.00 0.00 N ATOM 954 CA GLU A 59 5.551 -1.881 -3.620 1.00 0.00 C ATOM 955 C GLU A 59 4.614 -2.734 -2.775 1.00 0.00 C ATOM 956 O GLU A 59 4.866 -3.921 -2.558 1.00 0.00 O ATOM 957 CB GLU A 59 5.043 -1.676 -5.049 1.00 0.00 C ATOM 958 CG GLU A 59 4.858 -2.993 -5.812 1.00 0.00 C ATOM 959 CD GLU A 59 4.290 -2.791 -7.215 1.00 0.00 C ATOM 960 OE1 GLU A 59 4.319 -1.638 -7.695 1.00 0.00 O ATOM 961 OE2 GLU A 59 3.842 -3.808 -7.789 1.00 0.00 O ATOM 0 H GLU A 59 6.896 -3.453 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 59 5.581 -0.889 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.093 -1.143 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.746 -1.043 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.818 -3.503 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.192 -3.645 -5.246 1.00 0.00 H new ATOM 968 N TYR A 60 3.547 -2.102 -2.288 1.00 0.00 N ATOM 969 CA TYR A 60 2.578 -2.687 -1.386 1.00 0.00 C ATOM 970 C TYR A 60 1.215 -2.318 -1.949 1.00 0.00 C ATOM 971 O TYR A 60 0.920 -1.130 -2.076 1.00 0.00 O ATOM 972 CB TYR A 60 2.767 -2.116 0.025 1.00 0.00 C ATOM 973 CG TYR A 60 4.184 -2.194 0.566 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.144 -1.236 0.183 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.547 -3.226 1.450 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.469 -1.344 0.637 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.858 -3.297 1.950 1.00 0.00 C ATOM 978 CZ TYR A 60 6.824 -2.372 1.526 1.00 0.00 C ATOM 979 OH TYR A 60 8.107 -2.494 1.970 1.00 0.00 O ATOM 0 H TYR A 60 3.333 -1.133 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 60 2.688 -3.769 -1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.452 -1.072 0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.104 -2.648 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.860 -0.417 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.817 -3.965 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.214 -0.637 0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.123 -4.065 2.662 1.00 0.00 H new ATOM 0 HH TYR A 60 8.171 -3.259 2.579 1.00 0.00 H new ATOM 989 N GLN A 61 0.424 -3.322 -2.324 1.00 0.00 N ATOM 990 CA GLN A 61 -0.907 -3.160 -2.883 1.00 0.00 C ATOM 991 C GLN A 61 -1.876 -3.720 -1.845 1.00 0.00 C ATOM 992 O GLN A 61 -1.887 -4.930 -1.616 1.00 0.00 O ATOM 993 CB GLN A 61 -0.949 -3.885 -4.238 1.00 0.00 C ATOM 994 CG GLN A 61 -2.216 -3.577 -5.044 1.00 0.00 C ATOM 995 CD GLN A 61 -3.423 -4.371 -4.556 1.00 0.00 C ATOM 996 OE1 GLN A 61 -4.274 -3.848 -3.846 1.00 0.00 O ATOM 997 NE2 GLN A 61 -3.513 -5.640 -4.939 1.00 0.00 N ATOM 0 H GLN A 61 0.705 -4.299 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.184 -2.125 -3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.075 -3.600 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.884 -4.960 -4.071 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.435 -2.511 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.038 -3.802 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.788 -6.047 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.307 -6.207 -4.642 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.632 -2.854 -1.159 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.411 -3.267 0.001 1.00 0.00 C ATOM 1008 C LEU A 62 -4.675 -2.433 0.191 1.00 0.00 C ATOM 1009 O LEU A 62 -4.738 -1.284 -0.244 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.524 -3.313 1.257 1.00 0.00 C ATOM 1011 CG LEU A 62 -2.113 -1.978 1.903 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -1.176 -2.300 3.071 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -1.373 -1.025 0.962 1.00 0.00 C ATOM 0 H LEU A 62 -2.717 -1.865 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.769 -4.280 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.045 -3.902 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.613 -3.855 1.002 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.031 -1.474 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.864 -1.374 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.698 -2.928 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.298 -2.828 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.120 -0.109 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.459 -1.501 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.011 -0.784 0.112 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.694 -3.037 0.814 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.015 -2.459 0.968 1.00 0.00 C ATOM 1027 C TYR A 63 -7.175 -1.845 2.366 1.00 0.00 C ATOM 1028 O TYR A 63 -7.101 -2.537 3.385 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.056 -3.534 0.650 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.288 -3.746 -0.839 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.275 -4.299 -1.644 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.507 -3.362 -1.431 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.494 -4.506 -3.017 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.735 -3.592 -2.798 1.00 0.00 C ATOM 1035 CZ TYR A 63 -8.728 -4.160 -3.592 1.00 0.00 C ATOM 1036 OH TYR A 63 -8.938 -4.342 -4.926 1.00 0.00 O ATOM 0 H TYR A 63 -5.611 -3.964 1.232 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.163 -1.636 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.739 -4.477 1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.001 -3.261 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.325 -4.566 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.270 -2.888 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.713 -4.931 -3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.686 -3.331 -3.238 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.845 -4.052 -5.157 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.373 -0.524 2.396 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.405 0.310 3.587 1.00 0.00 C ATOM 1048 C VAL A 64 -8.840 0.782 3.830 1.00 0.00 C ATOM 1049 O VAL A 64 -9.465 1.338 2.927 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.452 1.506 3.401 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.383 2.342 4.686 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.036 1.045 3.023 1.00 0.00 C ATOM 0 H VAL A 64 -7.522 0.014 1.543 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.074 -0.259 4.456 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.849 2.113 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.705 3.183 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.377 2.716 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.017 1.722 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.391 1.915 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.638 0.407 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.073 0.485 2.088 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.360 0.578 5.044 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.616 1.140 5.492 1.00 0.00 C ATOM 1064 C TYR A 65 -10.352 2.553 6.016 1.00 0.00 C ATOM 1065 O TYR A 65 -9.656 2.728 7.023 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.231 0.249 6.578 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.304 -0.710 6.104 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.481 -0.197 5.527 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.212 -2.084 6.389 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.529 -1.060 5.168 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.273 -2.945 6.058 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.422 -2.436 5.426 1.00 0.00 C ATOM 1073 OH TYR A 65 -15.430 -3.273 5.055 1.00 0.00 O ATOM 0 H TYR A 65 -8.901 0.003 5.751 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.327 1.191 4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.433 -0.328 7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.656 0.889 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.579 0.865 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.325 -2.478 6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.416 -0.666 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.206 -3.998 6.289 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.200 -4.193 5.304 1.00 0.00 H new ATOM 1083 N ALA A 66 -10.917 3.550 5.331 1.00 0.00 N ATOM 1084 CA ALA A 66 -10.814 4.958 5.675 1.00 0.00 C ATOM 1085 C ALA A 66 -12.214 5.509 5.942 1.00 0.00 C ATOM 1086 O ALA A 66 -13.105 5.395 5.100 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.122 5.705 4.532 1.00 0.00 C ATOM 0 H ALA A 66 -11.477 3.387 4.494 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.217 5.092 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.042 6.762 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.125 5.292 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.706 5.593 3.618 1.00 0.00 H new ATOM 1093 N SER A 67 -12.424 6.045 7.147 1.00 0.00 N ATOM 1094 CA SER A 67 -13.677 6.462 7.757 1.00 0.00 C ATOM 1095 C SER A 67 -14.455 5.195 8.091 1.00 0.00 C ATOM 1096 O SER A 67 -14.561 4.798 9.247 1.00 0.00 O ATOM 1097 CB SER A 67 -14.441 7.472 6.883 1.00 0.00 C ATOM 1098 OG SER A 67 -15.534 7.994 7.607 1.00 0.00 O ATOM 0 H SER A 67 -11.639 6.212 7.777 1.00 0.00 H new ATOM 0 HA SER A 67 -13.502 7.016 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.776 8.279 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.793 6.987 5.973 1.00 0.00 H new ATOM 0 HG SER A 67 -16.018 8.638 7.049 1.00 0.00 H new ATOM 1104 N ASP A 68 -14.877 4.520 7.027 1.00 0.00 N ATOM 1105 CA ASP A 68 -15.479 3.190 6.979 1.00 0.00 C ATOM 1106 C ASP A 68 -15.768 2.794 5.520 1.00 0.00 C ATOM 1107 O ASP A 68 -16.672 2.009 5.251 1.00 0.00 O ATOM 1108 CB ASP A 68 -16.760 3.130 7.834 1.00 0.00 C ATOM 1109 CG ASP A 68 -17.303 1.706 7.984 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -16.469 0.792 8.173 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -18.541 1.564 7.930 1.00 0.00 O ATOM 0 H ASP A 68 -14.800 4.924 6.094 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.772 2.474 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.552 3.541 8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.525 3.760 7.380 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.012 3.342 4.561 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.077 2.970 3.155 1.00 0.00 C ATOM 1118 C LYS A 69 -13.759 2.275 2.841 1.00 0.00 C ATOM 1119 O LYS A 69 -12.707 2.748 3.274 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.244 4.222 2.281 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.698 4.506 1.883 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.583 4.861 3.082 1.00 0.00 C ATOM 1123 CE LYS A 69 -18.987 5.241 2.598 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.863 5.609 3.721 1.00 0.00 N ATOM 0 H LYS A 69 -14.325 4.072 4.752 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.927 2.318 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.848 5.084 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.645 4.106 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.720 5.326 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.110 3.631 1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.641 4.014 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.143 5.690 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.919 6.075 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.424 4.404 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.805 5.860 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.947 4.804 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.457 6.423 4.225 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.812 1.154 2.120 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.623 0.415 1.747 1.00 0.00 C ATOM 1140 C LEU A 70 -12.088 1.006 0.443 1.00 0.00 C ATOM 1141 O LEU A 70 -12.829 1.106 -0.533 1.00 0.00 O ATOM 1142 CB LEU A 70 -12.972 -1.076 1.631 1.00 0.00 C ATOM 1143 CG LEU A 70 -11.731 -1.981 1.592 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.096 -2.112 2.982 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.145 -3.377 1.117 1.00 0.00 C ATOM 0 H LEU A 70 -14.681 0.741 1.783 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.840 0.498 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.598 -1.364 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.561 -1.237 0.728 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.005 -1.535 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.220 -2.758 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.796 -1.127 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.819 -2.544 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.269 -4.025 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.881 -3.792 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.580 -3.308 0.120 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.822 1.425 0.438 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.120 1.920 -0.738 1.00 0.00 C ATOM 1159 C PHE A 71 -8.908 1.026 -0.968 1.00 0.00 C ATOM 1160 O PHE A 71 -8.293 0.565 -0.007 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.665 3.366 -0.514 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.783 4.392 -0.516 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.492 4.666 0.668 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -11.000 5.189 -1.656 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.401 5.737 0.714 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.920 6.251 -1.615 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.621 6.526 -0.429 1.00 0.00 C ATOM 0 H PHE A 71 -10.244 1.428 1.278 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.780 1.902 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.140 3.423 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.947 3.630 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.337 4.052 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.457 4.983 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -12.932 5.954 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.088 6.855 -2.494 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.328 7.342 -0.395 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.553 0.795 -2.231 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.325 0.113 -2.591 1.00 0.00 C ATOM 1179 C ARG A 72 -6.221 1.162 -2.650 1.00 0.00 C ATOM 1180 O ARG A 72 -6.394 2.201 -3.286 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.511 -0.609 -3.931 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.280 -1.447 -4.314 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.275 -0.688 -5.188 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.857 -0.365 -6.495 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.312 0.459 -7.399 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.166 1.096 -7.137 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -5.927 0.645 -8.572 1.00 0.00 N ATOM 0 H ARG A 72 -9.116 1.080 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.056 -0.647 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.386 -1.256 -3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.707 0.125 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.780 -1.781 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.609 -2.341 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.969 0.229 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.377 -1.291 -5.324 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.747 -0.802 -6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.698 0.956 -6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.760 1.721 -7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.803 0.161 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.520 1.271 -9.268 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.087 0.895 -2.004 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.918 1.753 -2.042 1.00 0.00 C ATOM 1203 C ALA A 73 -2.745 0.962 -2.615 1.00 0.00 C ATOM 1204 O ALA A 73 -2.583 -0.217 -2.301 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.624 2.279 -0.637 1.00 0.00 C ATOM 0 H ALA A 73 -4.959 0.061 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.093 2.616 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.746 2.924 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.480 2.848 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.436 1.440 0.034 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.952 1.610 -3.471 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.693 1.108 -3.997 1.00 0.00 C ATOM 1213 C ASP A 74 0.385 2.079 -3.537 1.00 0.00 C ATOM 1214 O ASP A 74 0.286 3.276 -3.799 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.773 1.021 -5.522 1.00 0.00 C ATOM 1216 CG ASP A 74 0.538 0.589 -6.176 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.355 -0.052 -5.479 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.688 0.906 -7.377 1.00 0.00 O ATOM 0 H ASP A 74 -2.185 2.537 -3.828 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.466 0.105 -3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.557 0.316 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.065 1.993 -5.919 1.00 0.00 H new ATOM 1223 N ILE A 75 1.374 1.570 -2.811 1.00 0.00 N ATOM 1224 CA ILE A 75 2.437 2.317 -2.149 1.00 0.00 C ATOM 1225 C ILE A 75 3.746 1.800 -2.729 1.00 0.00 C ATOM 1226 O ILE A 75 3.795 0.621 -3.082 1.00 0.00 O ATOM 1227 CB ILE A 75 2.422 2.044 -0.628 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.020 1.923 -0.008 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.259 3.076 0.143 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.179 3.188 -0.159 1.00 0.00 C ATOM 0 H ILE A 75 1.460 0.565 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 75 2.311 3.388 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 75 2.879 1.060 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.495 1.089 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.119 1.685 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.224 2.850 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.292 3.037 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.856 4.074 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.797 3.033 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.683 4.021 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.050 3.415 -1.217 1.00 0.00 H new ATOM 1242 N SER A 76 4.799 2.623 -2.797 1.00 0.00 N ATOM 1243 CA SER A 76 6.139 2.137 -3.096 1.00 0.00 C ATOM 1244 C SER A 76 7.096 2.564 -1.991 1.00 0.00 C ATOM 1245 O SER A 76 6.803 3.506 -1.258 1.00 0.00 O ATOM 1246 CB SER A 76 6.594 2.578 -4.489 1.00 0.00 C ATOM 1247 OG SER A 76 7.821 1.960 -4.833 1.00 0.00 O ATOM 0 H SER A 76 4.742 3.630 -2.648 1.00 0.00 H new ATOM 0 HA SER A 76 6.132 1.047 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.832 2.320 -5.225 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.707 3.662 -4.514 1.00 0.00 H new ATOM 0 HG SER A 76 7.859 1.064 -4.437 1.00 0.00 H new ATOM 1253 N GLU A 77 8.218 1.852 -1.866 1.00 0.00 N ATOM 1254 CA GLU A 77 9.341 2.200 -1.011 1.00 0.00 C ATOM 1255 C GLU A 77 10.593 2.094 -1.863 1.00 0.00 C ATOM 1256 O GLU A 77 10.725 1.105 -2.581 1.00 0.00 O ATOM 1257 CB GLU A 77 9.368 1.271 0.215 1.00 0.00 C ATOM 1258 CG GLU A 77 10.477 1.589 1.237 1.00 0.00 C ATOM 1259 CD GLU A 77 11.718 0.706 1.106 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.252 0.615 -0.017 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.120 0.135 2.143 1.00 0.00 O ATOM 0 H GLU A 77 8.369 0.984 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 77 9.264 3.214 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.402 1.326 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.491 0.243 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.773 2.632 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.071 1.480 2.243 1.00 0.00 H new ATOM 1268 N ASP A 78 11.477 3.098 -1.796 1.00 0.00 N ATOM 1269 CA ASP A 78 12.762 3.078 -2.487 1.00 0.00 C ATOM 1270 C ASP A 78 13.862 2.769 -1.473 1.00 0.00 C ATOM 1271 O ASP A 78 14.076 3.538 -0.533 1.00 0.00 O ATOM 1272 CB ASP A 78 13.021 4.410 -3.202 1.00 0.00 C ATOM 1273 CG ASP A 78 14.242 4.321 -4.120 1.00 0.00 C ATOM 1274 OD1 ASP A 78 15.298 3.857 -3.637 1.00 0.00 O ATOM 1275 OD2 ASP A 78 14.099 4.716 -5.297 1.00 0.00 O ATOM 0 H ASP A 78 11.315 3.949 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 78 12.753 2.302 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.144 4.688 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.175 5.197 -2.464 1.00 0.00 H new ATOM 1280 N TYR A 79 14.575 1.661 -1.677 1.00 0.00 N ATOM 1281 CA TYR A 79 15.537 1.129 -0.728 1.00 0.00 C ATOM 1282 C TYR A 79 16.725 2.068 -0.518 1.00 0.00 C ATOM 1283 O TYR A 79 17.352 2.022 0.534 1.00 0.00 O ATOM 1284 CB TYR A 79 15.996 -0.261 -1.183 1.00 0.00 C ATOM 1285 CG TYR A 79 16.822 -0.999 -0.150 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.210 -1.464 1.028 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.208 -1.169 -0.333 1.00 0.00 C ATOM 1288 CE1 TYR A 79 16.968 -2.142 1.996 1.00 0.00 C ATOM 1289 CE2 TYR A 79 18.969 -1.825 0.649 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.346 -2.326 1.803 1.00 0.00 C ATOM 1291 OH TYR A 79 19.092 -2.939 2.764 1.00 0.00 O ATOM 0 H TYR A 79 14.494 1.101 -2.526 1.00 0.00 H new ATOM 0 HA TYR A 79 15.044 1.041 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.120 -0.860 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.581 -0.159 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.155 -1.299 1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.685 -0.796 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 79 16.491 -2.521 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.034 -1.944 0.516 1.00 0.00 H new ATOM 0 HH TYR A 79 20.026 -2.987 2.472 1.00 0.00 H new ATOM 1301 N LYS A 80 17.030 2.942 -1.486 1.00 0.00 N ATOM 1302 CA LYS A 80 18.119 3.894 -1.363 1.00 0.00 C ATOM 1303 C LYS A 80 17.941 4.775 -0.123 1.00 0.00 C ATOM 1304 O LYS A 80 18.907 5.067 0.574 1.00 0.00 O ATOM 1305 CB LYS A 80 18.180 4.745 -2.633 1.00 0.00 C ATOM 1306 CG LYS A 80 18.571 3.919 -3.865 1.00 0.00 C ATOM 1307 CD LYS A 80 18.432 4.770 -5.133 1.00 0.00 C ATOM 1308 CE LYS A 80 18.986 4.014 -6.345 1.00 0.00 C ATOM 1309 NZ LYS A 80 18.761 4.767 -7.592 1.00 0.00 N ATOM 0 H LYS A 80 16.525 3.002 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 80 19.058 3.354 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.209 5.211 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.901 5.551 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.597 3.565 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.935 3.036 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.384 5.019 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.967 5.711 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.053 3.839 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.509 3.037 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.146 4.231 -8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.741 4.913 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.237 5.690 -7.531 1.00 0.00 H new ATOM 1323 N THR A 81 16.700 5.201 0.133 1.00 0.00 N ATOM 1324 CA THR A 81 16.343 5.986 1.310 1.00 0.00 C ATOM 1325 C THR A 81 15.625 5.111 2.347 1.00 0.00 C ATOM 1326 O THR A 81 15.490 5.505 3.501 1.00 0.00 O ATOM 1327 CB THR A 81 15.474 7.175 0.860 1.00 0.00 C ATOM 1328 OG1 THR A 81 16.120 7.858 -0.197 1.00 0.00 O ATOM 1329 CG2 THR A 81 15.225 8.195 1.975 1.00 0.00 C ATOM 0 H THR A 81 15.909 5.006 -0.481 1.00 0.00 H new ATOM 0 HA THR A 81 17.242 6.369 1.793 1.00 0.00 H new ATOM 0 HB THR A 81 14.516 6.754 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.566 8.614 -0.485 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.607 9.008 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.713 7.709 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.178 8.596 2.321 1.00 0.00 H new ATOM 1337 N ARG A 82 15.129 3.939 1.931 1.00 0.00 N ATOM 1338 CA ARG A 82 14.206 3.111 2.687 1.00 0.00 C ATOM 1339 C ARG A 82 12.970 3.933 3.068 1.00 0.00 C ATOM 1340 O ARG A 82 12.417 3.770 4.153 1.00 0.00 O ATOM 1341 CB ARG A 82 14.889 2.468 3.898 1.00 0.00 C ATOM 1342 CG ARG A 82 16.115 1.629 3.515 1.00 0.00 C ATOM 1343 CD ARG A 82 16.701 0.973 4.769 1.00 0.00 C ATOM 1344 NE ARG A 82 17.805 0.063 4.433 1.00 0.00 N ATOM 1345 CZ ARG A 82 18.623 -0.496 5.337 1.00 0.00 C ATOM 1346 NH1 ARG A 82 18.486 -0.213 6.637 1.00 0.00 N ATOM 1347 NH2 ARG A 82 19.576 -1.345 4.940 1.00 0.00 N ATOM 0 H ARG A 82 15.373 3.535 1.027 1.00 0.00 H new ATOM 0 HA ARG A 82 13.874 2.282 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.193 3.249 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.171 1.836 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.833 0.865 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.865 2.260 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.058 1.744 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.920 0.422 5.292 1.00 0.00 H new ATOM 0 HE ARG A 82 17.959 -0.158 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.757 0.431 6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.111 -0.641 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.681 -1.567 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.198 -1.770 5.627 1.00 0.00 H new ATOM 1361 N GLY A 83 12.545 4.826 2.167 1.00 0.00 N ATOM 1362 CA GLY A 83 11.467 5.779 2.395 1.00 0.00 C ATOM 1363 C GLY A 83 10.297 5.436 1.485 1.00 0.00 C ATOM 1364 O GLY A 83 10.516 5.076 0.324 1.00 0.00 O ATOM 0 H GLY A 83 12.956 4.903 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.153 5.749 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.813 6.793 2.196 1.00 0.00 H new ATOM 1368 N ARG A 84 9.075 5.508 2.023 1.00 0.00 N ATOM 1369 CA ARG A 84 7.870 5.134 1.312 1.00 0.00 C ATOM 1370 C ARG A 84 7.219 6.332 0.629 1.00 0.00 C ATOM 1371 O ARG A 84 7.499 7.480 0.966 1.00 0.00 O ATOM 1372 CB ARG A 84 6.871 4.467 2.258 1.00 0.00 C ATOM 1373 CG ARG A 84 7.503 3.452 3.218 1.00 0.00 C ATOM 1374 CD ARG A 84 7.769 4.018 4.625 1.00 0.00 C ATOM 1375 NE ARG A 84 9.200 4.208 4.902 1.00 0.00 N ATOM 1376 CZ ARG A 84 9.677 4.724 6.045 1.00 0.00 C ATOM 1377 NH1 ARG A 84 8.842 5.195 6.978 1.00 0.00 N ATOM 1378 NH2 ARG A 84 10.994 4.756 6.254 1.00 0.00 N ATOM 0 H ARG A 84 8.904 5.832 2.975 1.00 0.00 H new ATOM 0 HA ARG A 84 8.160 4.423 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.368 5.238 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.106 3.964 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.846 2.586 3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.443 3.099 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.253 4.972 4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.346 3.343 5.369 1.00 0.00 H new ATOM 0 HE ARG A 84 9.869 3.932 4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.834 5.163 6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.213 5.586 7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.632 4.390 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.363 5.147 7.121 1.00 0.00 H new ATOM 1392 N LYS A 85 6.304 6.043 -0.295 1.00 0.00 N ATOM 1393 CA LYS A 85 5.486 7.019 -0.990 1.00 0.00 C ATOM 1394 C LYS A 85 4.199 6.377 -1.494 1.00 0.00 C ATOM 1395 O LYS A 85 4.219 5.239 -1.961 1.00 0.00 O ATOM 1396 CB LYS A 85 6.294 7.715 -2.097 1.00 0.00 C ATOM 1397 CG LYS A 85 6.809 6.794 -3.219 1.00 0.00 C ATOM 1398 CD LYS A 85 5.869 6.691 -4.432 1.00 0.00 C ATOM 1399 CE LYS A 85 5.836 7.975 -5.270 1.00 0.00 C ATOM 1400 NZ LYS A 85 4.859 7.870 -6.366 1.00 0.00 N ATOM 0 H LYS A 85 6.110 5.085 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 85 5.187 7.801 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.672 8.491 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.148 8.215 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.780 7.158 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.967 5.796 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.186 5.860 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.861 6.462 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.582 8.822 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.827 8.170 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.953 8.693 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.036 6.999 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.897 7.843 -5.972 1.00 0.00 H new ATOM 1414 N LEU A 86 3.075 7.093 -1.395 1.00 0.00 N ATOM 1415 CA LEU A 86 1.833 6.679 -2.029 1.00 0.00 C ATOM 1416 C LEU A 86 2.070 6.652 -3.541 1.00 0.00 C ATOM 1417 O LEU A 86 2.511 7.651 -4.107 1.00 0.00 O ATOM 1418 CB LEU A 86 0.713 7.665 -1.674 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.659 7.173 -2.176 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.457 6.554 -1.026 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.446 8.332 -2.797 1.00 0.00 C ATOM 0 H LEU A 86 3.007 7.968 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 86 1.531 5.691 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.678 7.802 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.933 8.639 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.494 6.412 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.423 6.211 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.906 5.709 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.611 7.301 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.412 7.969 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.599 9.110 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.887 8.743 -3.638 1.00 0.00 H new ATOM 1433 N LEU A 87 1.802 5.519 -4.190 1.00 0.00 N ATOM 1434 CA LEU A 87 1.883 5.404 -5.636 1.00 0.00 C ATOM 1435 C LEU A 87 0.532 5.819 -6.220 1.00 0.00 C ATOM 1436 O LEU A 87 0.464 6.743 -7.024 1.00 0.00 O ATOM 1437 CB LEU A 87 2.296 3.978 -6.044 1.00 0.00 C ATOM 1438 CG LEU A 87 3.412 3.969 -7.099 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.764 2.525 -7.471 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.007 4.719 -8.373 1.00 0.00 C ATOM 0 H LEU A 87 1.523 4.657 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 87 2.653 6.064 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.630 3.433 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.427 3.449 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 87 4.273 4.475 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.556 2.525 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.104 1.993 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.882 2.028 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.827 4.686 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.125 4.248 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.780 5.757 -8.128 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.543 5.148 -5.788 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.916 5.422 -6.193 1.00 0.00 C ATOM 1454 C ARG A 88 -2.859 5.097 -5.034 1.00 0.00 C ATOM 1455 O ARG A 88 -2.520 4.307 -4.151 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.290 4.583 -7.426 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.859 5.247 -8.738 1.00 0.00 C ATOM 1458 CD ARG A 88 -2.125 4.329 -9.934 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.216 3.175 -9.910 1.00 0.00 N ATOM 1460 CZ ARG A 88 -1.000 2.345 -10.938 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.701 2.474 -12.070 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -0.071 1.391 -10.822 1.00 0.00 N ATOM 0 H ARG A 88 -0.472 4.376 -5.126 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.007 6.476 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.823 3.601 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.368 4.423 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.398 6.185 -8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.798 5.493 -8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.159 3.985 -9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.993 4.884 -10.863 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.710 2.992 -9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.405 3.208 -12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.532 1.839 -12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.463 1.302 -9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.103 0.752 -11.598 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.048 5.701 -5.059 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.145 5.461 -4.138 1.00 0.00 C ATOM 1478 C PHE A 89 -6.406 5.432 -4.993 1.00 0.00 C ATOM 1479 O PHE A 89 -6.628 6.368 -5.760 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.204 6.598 -3.113 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.322 6.482 -2.097 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.106 5.799 -0.886 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.547 7.139 -2.322 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.091 5.813 0.117 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.528 7.158 -1.316 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.296 6.506 -0.093 1.00 0.00 C ATOM 0 H PHE A 89 -4.277 6.405 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.029 4.528 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.253 6.639 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.313 7.543 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.182 5.263 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.732 7.628 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.922 5.292 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.462 7.674 -1.483 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.044 6.537 0.686 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.194 4.361 -4.915 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.358 4.149 -5.750 1.00 0.00 C ATOM 1498 C ASN A 90 -9.480 3.605 -4.880 1.00 0.00 C ATOM 1499 O ASN A 90 -9.237 2.893 -3.907 1.00 0.00 O ATOM 1500 CB ASN A 90 -8.037 3.124 -6.838 1.00 0.00 C ATOM 1501 CG ASN A 90 -7.010 3.620 -7.855 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.814 3.672 -7.583 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -7.458 3.970 -9.058 1.00 0.00 N ATOM 0 H ASN A 90 -7.031 3.604 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.652 5.089 -6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.663 2.213 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.956 2.860 -7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.804 4.288 -9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -8.455 3.920 -9.265 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.715 3.924 -5.250 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.911 3.476 -4.559 1.00 0.00 C ATOM 1512 C GLY A 91 -12.907 4.622 -4.388 1.00 0.00 C ATOM 1513 O GLY A 91 -12.739 5.661 -5.024 1.00 0.00 O ATOM 0 H GLY A 91 -10.913 4.515 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.377 2.665 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.642 3.075 -3.582 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.929 4.453 -3.534 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.149 3.276 -2.705 1.00 0.00 C ATOM 1519 C PRO A 92 -14.422 2.042 -3.568 1.00 0.00 C ATOM 1520 O PRO A 92 -15.009 2.156 -4.642 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.346 3.620 -1.820 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.109 4.667 -2.633 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.992 5.425 -3.348 1.00 0.00 C ATOM 0 HA PRO A 92 -13.272 3.030 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.961 2.743 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.030 4.015 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.800 4.206 -3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.698 5.324 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.335 5.821 -4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.650 6.273 -2.755 1.00 0.00 H new