USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 757 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 60 SER OG : rot -127:sc= 0.916 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.795 K(o=1.7,f=-1.4) USER MOD Set 2.1: A 12 ASN :FLIP amide:sc= -0.606 F(o=-1.1,f=-0.28) USER MOD Set 2.2: A 14 THR OG1 : rot -121:sc= 0.322 USER MOD Set 3.1: A 4 THR OG1 : rot -173:sc= -0.122 USER MOD Set 3.2: A 7 GLN : amide:sc= -0.449 K(o=-0.57,f=-9.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -31:sc= 0.0834 USER MOD Single : A -1 GLY N :NH3+ -125:sc= 0.102 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0582 X(o=-0.058,f=0.4) USER MOD Single : A 11 TYR OH : rot 165:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= -1.03! (180deg=-3.69!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 171:sc= -6.51! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -150:sc= -2.34! (180deg=-6.75!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -93:sc= 0.472 USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= 0.108 (180deg=-2.27!) USER MOD Single : A 59 MET CE :methyl -170:sc= -0.229 (180deg=-0.431) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -127:sc= 1.18 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -153:sc= -5.27! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.67) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -1.48 F(o=-3.4!,f=-1.5) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0524 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -10.134 -13.945 -11.049 1.00 0.00 N ATOM 2 CA GLY A -1 -9.142 -13.234 -10.259 1.00 0.00 C ATOM 3 C GLY A -1 -9.748 -12.719 -8.952 1.00 0.00 C ATOM 4 O GLY A -1 -10.912 -12.986 -8.656 1.00 0.00 O ATOM 0 H1 GLY A -1 -9.783 -14.899 -11.271 1.00 0.00 H new ATOM 0 H2 GLY A -1 -11.020 -14.019 -10.509 1.00 0.00 H new ATOM 0 H3 GLY A -1 -10.310 -13.427 -11.933 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -8.304 -13.896 -10.040 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -8.745 -12.398 -10.834 1.00 0.00 H new ATOM 8 N PRO A 0 -8.911 -11.971 -8.186 1.00 0.00 N ATOM 9 CA PRO A 0 -9.352 -11.416 -6.917 1.00 0.00 C ATOM 10 C PRO A 0 -10.278 -10.218 -7.135 1.00 0.00 C ATOM 11 O PRO A 0 -10.827 -10.043 -8.222 1.00 0.00 O ATOM 12 CB PRO A 0 -8.073 -11.051 -6.181 1.00 0.00 C ATOM 13 CG PRO A 0 -6.987 -10.983 -7.242 1.00 0.00 C ATOM 14 CD PRO A 0 -7.526 -11.634 -8.505 1.00 0.00 C ATOM 0 HA PRO A 0 -9.945 -12.121 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.177 -10.095 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -7.832 -11.796 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.708 -9.947 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.088 -11.497 -6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.470 -10.955 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.953 -12.523 -8.768 1.00 0.00 H new ATOM 22 N MET A 1 -10.425 -9.425 -6.084 1.00 0.00 N ATOM 23 CA MET A 1 -11.276 -8.249 -6.147 1.00 0.00 C ATOM 24 C MET A 1 -10.483 -7.023 -6.603 1.00 0.00 C ATOM 25 O MET A 1 -10.747 -5.907 -6.157 1.00 0.00 O ATOM 26 CB MET A 1 -11.881 -7.982 -4.767 1.00 0.00 C ATOM 27 CG MET A 1 -13.148 -8.812 -4.554 1.00 0.00 C ATOM 28 SD MET A 1 -14.572 -7.740 -4.459 1.00 0.00 S ATOM 29 CE MET A 1 -14.645 -7.477 -2.695 1.00 0.00 C ATOM 0 H MET A 1 -9.969 -9.574 -5.184 1.00 0.00 H new ATOM 0 HA MET A 1 -12.069 -8.435 -6.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.151 -8.221 -3.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.115 -6.922 -4.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.270 -9.521 -5.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.060 -9.396 -3.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.485 -6.823 -2.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.777 -8.434 -2.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.718 -7.013 -2.358 1.00 0.00 H new ATOM 39 N GLU A 2 -9.527 -7.270 -7.486 1.00 0.00 N ATOM 40 CA GLU A 2 -8.694 -6.200 -8.008 1.00 0.00 C ATOM 41 C GLU A 2 -9.356 -4.843 -7.759 1.00 0.00 C ATOM 42 O GLU A 2 -10.477 -4.604 -8.205 1.00 0.00 O ATOM 43 CB GLU A 2 -8.406 -6.405 -9.496 1.00 0.00 C ATOM 44 CG GLU A 2 -8.483 -7.887 -9.871 1.00 0.00 C ATOM 45 CD GLU A 2 -7.998 -8.116 -11.304 1.00 0.00 C ATOM 46 OE1 GLU A 2 -8.342 -7.274 -12.161 1.00 0.00 O ATOM 47 OE2 GLU A 2 -7.293 -9.128 -11.509 1.00 0.00 O ATOM 0 H GLU A 2 -9.310 -8.196 -7.854 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.740 -6.219 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.123 -5.838 -10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.416 -6.017 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.877 -8.473 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.510 -8.238 -9.770 1.00 0.00 H new ATOM 54 N PHE A 3 -8.634 -3.990 -7.048 1.00 0.00 N ATOM 55 CA PHE A 3 -9.137 -2.663 -6.734 1.00 0.00 C ATOM 56 C PHE A 3 -8.394 -1.592 -7.534 1.00 0.00 C ATOM 57 O PHE A 3 -7.164 -1.581 -7.571 1.00 0.00 O ATOM 58 CB PHE A 3 -8.890 -2.432 -5.242 1.00 0.00 C ATOM 59 CG PHE A 3 -9.860 -3.184 -4.327 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.774 -4.536 -4.210 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.807 -2.499 -3.632 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.673 -5.233 -3.360 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.707 -3.196 -2.783 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.621 -4.549 -2.665 1.00 0.00 C ATOM 0 H PHE A 3 -7.704 -4.192 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.196 -2.597 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.871 -2.735 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.963 -1.365 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.022 -5.079 -4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.875 -1.425 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.604 -6.307 -3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.460 -2.652 -2.231 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.305 -5.079 -2.020 1.00 0.00 H new ATOM 74 N THR A 4 -9.171 -0.717 -8.156 1.00 0.00 N ATOM 75 CA THR A 4 -8.601 0.356 -8.953 1.00 0.00 C ATOM 76 C THR A 4 -8.178 1.520 -8.055 1.00 0.00 C ATOM 77 O THR A 4 -8.752 1.726 -6.987 1.00 0.00 O ATOM 78 CB THR A 4 -9.628 0.751 -10.016 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.717 1.283 -9.267 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.226 -0.462 -10.732 1.00 0.00 C ATOM 0 H THR A 4 -10.190 -0.729 -8.124 1.00 0.00 H new ATOM 0 HA THR A 4 -7.693 0.032 -9.462 1.00 0.00 H new ATOM 0 HB THR A 4 -9.158 1.409 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.469 1.467 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.948 -0.126 -11.476 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.431 -1.022 -11.225 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.725 -1.104 -10.006 1.00 0.00 H new ATOM 88 N ALA A 5 -7.176 2.252 -8.522 1.00 0.00 N ATOM 89 CA ALA A 5 -6.669 3.390 -7.774 1.00 0.00 C ATOM 90 C ALA A 5 -7.833 4.312 -7.406 1.00 0.00 C ATOM 91 O ALA A 5 -7.783 5.005 -6.391 1.00 0.00 O ATOM 92 CB ALA A 5 -5.597 4.105 -8.599 1.00 0.00 C ATOM 0 H ALA A 5 -6.702 2.079 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.202 3.062 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.216 4.959 -8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.780 3.415 -8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.031 4.451 -9.537 1.00 0.00 H new ATOM 98 N GLU A 6 -8.854 4.290 -8.251 1.00 0.00 N ATOM 99 CA GLU A 6 -10.028 5.116 -8.027 1.00 0.00 C ATOM 100 C GLU A 6 -10.837 4.579 -6.844 1.00 0.00 C ATOM 101 O GLU A 6 -11.238 5.340 -5.965 1.00 0.00 O ATOM 102 CB GLU A 6 -10.890 5.197 -9.288 1.00 0.00 C ATOM 103 CG GLU A 6 -10.954 6.632 -9.817 1.00 0.00 C ATOM 104 CD GLU A 6 -11.944 6.744 -10.978 1.00 0.00 C ATOM 105 OE1 GLU A 6 -11.975 5.796 -11.792 1.00 0.00 O ATOM 106 OE2 GLU A 6 -12.649 7.776 -11.025 1.00 0.00 O ATOM 0 H GLU A 6 -8.892 3.713 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.697 6.126 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.480 4.540 -10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.897 4.841 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.252 7.307 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.964 6.946 -10.147 1.00 0.00 H new ATOM 113 N GLN A 7 -11.052 3.272 -6.860 1.00 0.00 N ATOM 114 CA GLN A 7 -11.806 2.624 -5.800 1.00 0.00 C ATOM 115 C GLN A 7 -10.961 2.533 -4.528 1.00 0.00 C ATOM 116 O GLN A 7 -11.462 2.759 -3.428 1.00 0.00 O ATOM 117 CB GLN A 7 -12.290 1.240 -6.238 1.00 0.00 C ATOM 118 CG GLN A 7 -13.737 1.295 -6.729 1.00 0.00 C ATOM 119 CD GLN A 7 -13.799 1.643 -8.218 1.00 0.00 C ATOM 120 OE1 GLN A 7 -12.935 2.311 -8.762 1.00 0.00 O ATOM 121 NE2 GLN A 7 -14.865 1.153 -8.844 1.00 0.00 N ATOM 0 H GLN A 7 -10.717 2.644 -7.590 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.687 3.229 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.647 0.861 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.212 0.543 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.220 0.333 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.291 2.038 -6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.551 0.601 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.997 1.329 -9.840 1.00 0.00 H new ATOM 130 N LEU A 8 -9.693 2.200 -4.721 1.00 0.00 N ATOM 131 CA LEU A 8 -8.773 2.075 -3.603 1.00 0.00 C ATOM 132 C LEU A 8 -8.715 3.404 -2.846 1.00 0.00 C ATOM 133 O LEU A 8 -8.734 3.423 -1.616 1.00 0.00 O ATOM 134 CB LEU A 8 -7.408 1.582 -4.084 1.00 0.00 C ATOM 135 CG LEU A 8 -6.201 2.037 -3.260 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.995 3.548 -3.379 1.00 0.00 C ATOM 137 CD2 LEU A 8 -6.332 1.589 -1.803 1.00 0.00 C ATOM 0 H LEU A 8 -9.281 2.013 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.128 1.321 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.422 0.492 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.266 1.913 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.310 1.558 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.131 3.845 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.825 3.811 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.882 4.066 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.462 1.925 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.234 2.021 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.394 0.502 -1.761 1.00 0.00 H new ATOM 149 N SER A 9 -8.646 4.482 -3.612 1.00 0.00 N ATOM 150 CA SER A 9 -8.585 5.812 -3.029 1.00 0.00 C ATOM 151 C SER A 9 -9.811 6.053 -2.145 1.00 0.00 C ATOM 152 O SER A 9 -9.844 7.007 -1.371 1.00 0.00 O ATOM 153 CB SER A 9 -8.495 6.886 -4.115 1.00 0.00 C ATOM 154 OG SER A 9 -8.412 8.197 -3.563 1.00 0.00 O ATOM 0 H SER A 9 -8.631 4.462 -4.632 1.00 0.00 H new ATOM 0 HA SER A 9 -7.685 5.876 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.621 6.699 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.369 6.820 -4.763 1.00 0.00 H new ATOM 0 HG SER A 9 -8.906 8.228 -2.717 1.00 0.00 H new ATOM 160 N GLN A 10 -10.788 5.170 -2.291 1.00 0.00 N ATOM 161 CA GLN A 10 -12.013 5.274 -1.516 1.00 0.00 C ATOM 162 C GLN A 10 -11.782 4.772 -0.089 1.00 0.00 C ATOM 163 O GLN A 10 -12.608 4.998 0.794 1.00 0.00 O ATOM 164 CB GLN A 10 -13.155 4.510 -2.189 1.00 0.00 C ATOM 165 CG GLN A 10 -13.146 4.732 -3.702 1.00 0.00 C ATOM 166 CD GLN A 10 -13.727 6.102 -4.059 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.056 6.969 -4.595 1.00 0.00 O ATOM 168 NE2 GLN A 10 -15.008 6.248 -3.732 1.00 0.00 N ATOM 0 H GLN A 10 -10.756 4.379 -2.934 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.302 6.324 -1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.062 3.446 -1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.109 4.837 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.126 4.657 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.725 3.949 -4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.511 5.481 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.487 7.127 -3.928 1.00 0.00 H new ATOM 177 N TYR A 11 -10.655 4.099 0.092 1.00 0.00 N ATOM 178 CA TYR A 11 -10.305 3.562 1.396 1.00 0.00 C ATOM 179 C TYR A 11 -8.887 3.973 1.796 1.00 0.00 C ATOM 180 O TYR A 11 -7.989 3.134 1.862 1.00 0.00 O ATOM 181 CB TYR A 11 -10.363 2.040 1.255 1.00 0.00 C ATOM 182 CG TYR A 11 -11.641 1.524 0.592 1.00 0.00 C ATOM 183 CD1 TYR A 11 -11.792 1.614 -0.777 1.00 0.00 C ATOM 184 CD2 TYR A 11 -12.643 0.969 1.362 1.00 0.00 C ATOM 185 CE1 TYR A 11 -12.995 1.128 -1.402 1.00 0.00 C ATOM 186 CE2 TYR A 11 -13.846 0.484 0.737 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.963 0.587 -0.614 1.00 0.00 C ATOM 188 OH TYR A 11 -15.099 0.129 -1.204 1.00 0.00 O ATOM 0 H TYR A 11 -9.972 3.913 -0.643 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.986 3.937 2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.504 1.707 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.272 1.590 2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.008 2.049 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.525 0.899 2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.126 1.192 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.638 0.048 1.328 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.590 -0.438 -0.573 1.00 0.00 H new ATOM 198 N ASN A 12 -8.728 5.263 2.052 1.00 0.00 N ATOM 199 CA ASN A 12 -7.434 5.795 2.444 1.00 0.00 C ATOM 200 C ASN A 12 -7.547 6.432 3.830 1.00 0.00 C ATOM 201 O ASN A 12 -6.730 7.274 4.199 1.00 0.00 O ATOM 202 CB ASN A 12 -6.963 6.873 1.465 1.00 0.00 C ATOM 203 CG ASN A 12 -7.415 8.262 1.921 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.729 8.452 1.853 1.00 0.00 O flip ATOM 205 ND2 ASN A 12 -6.622 9.105 2.308 1.00 0.00 N flip ATOM 0 H ASN A 12 -9.474 5.956 1.996 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.718 4.973 2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.876 6.848 1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.360 6.665 0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.625 8.893 2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.957 10.022 2.604 1.00 0.00 H new ATOM 212 N GLY A 13 -8.566 6.005 4.561 1.00 0.00 N ATOM 213 CA GLY A 13 -8.797 6.522 5.899 1.00 0.00 C ATOM 214 C GLY A 13 -9.508 7.876 5.848 1.00 0.00 C ATOM 215 O GLY A 13 -8.860 8.922 5.861 1.00 0.00 O ATOM 0 H GLY A 13 -9.242 5.306 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.398 5.813 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.846 6.626 6.422 1.00 0.00 H new ATOM 219 N THR A 14 -10.830 7.813 5.791 1.00 0.00 N ATOM 220 CA THR A 14 -11.635 9.020 5.738 1.00 0.00 C ATOM 221 C THR A 14 -13.069 8.725 6.184 1.00 0.00 C ATOM 222 O THR A 14 -13.650 9.482 6.960 1.00 0.00 O ATOM 223 CB THR A 14 -11.545 9.588 4.320 1.00 0.00 C ATOM 224 OG1 THR A 14 -11.298 8.445 3.504 1.00 0.00 O ATOM 225 CG2 THR A 14 -10.307 10.464 4.118 1.00 0.00 C ATOM 0 H THR A 14 -11.364 6.944 5.780 1.00 0.00 H new ATOM 0 HA THR A 14 -11.261 9.775 6.430 1.00 0.00 H new ATOM 0 HB THR A 14 -12.441 10.170 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.452 8.562 3.024 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.291 10.842 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.337 11.302 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.409 9.873 4.300 1.00 0.00 H new ATOM 233 N ASP A 15 -13.598 7.623 5.673 1.00 0.00 N ATOM 234 CA ASP A 15 -14.953 7.218 6.009 1.00 0.00 C ATOM 235 C ASP A 15 -14.938 6.453 7.334 1.00 0.00 C ATOM 236 O ASP A 15 -13.894 6.330 7.972 1.00 0.00 O ATOM 237 CB ASP A 15 -15.534 6.295 4.936 1.00 0.00 C ATOM 238 CG ASP A 15 -16.292 7.006 3.814 1.00 0.00 C ATOM 239 OD1 ASP A 15 -17.399 7.508 4.106 1.00 0.00 O ATOM 240 OD2 ASP A 15 -15.749 7.031 2.688 1.00 0.00 O ATOM 0 H ASP A 15 -13.113 6.998 5.029 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.566 8.117 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.721 5.717 4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.207 5.584 5.415 1.00 0.00 H new ATOM 245 N GLU A 16 -16.109 5.958 7.707 1.00 0.00 N ATOM 246 CA GLU A 16 -16.244 5.208 8.944 1.00 0.00 C ATOM 247 C GLU A 16 -16.117 3.708 8.672 1.00 0.00 C ATOM 248 O GLU A 16 -15.059 3.121 8.893 1.00 0.00 O ATOM 249 CB GLU A 16 -17.570 5.529 9.638 1.00 0.00 C ATOM 250 CG GLU A 16 -17.447 6.787 10.499 1.00 0.00 C ATOM 251 CD GLU A 16 -16.808 6.466 11.852 1.00 0.00 C ATOM 252 OE1 GLU A 16 -17.547 5.958 12.723 1.00 0.00 O ATOM 253 OE2 GLU A 16 -15.594 6.736 11.984 1.00 0.00 O ATOM 0 H GLU A 16 -16.973 6.062 7.174 1.00 0.00 H new ATOM 0 HA GLU A 16 -15.439 5.505 9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.351 5.670 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.873 4.686 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.846 7.532 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.434 7.224 10.653 1.00 0.00 H new ATOM 260 N SER A 17 -17.210 3.130 8.197 1.00 0.00 N ATOM 261 CA SER A 17 -17.234 1.710 7.892 1.00 0.00 C ATOM 262 C SER A 17 -16.135 1.373 6.882 1.00 0.00 C ATOM 263 O SER A 17 -15.369 0.432 7.084 1.00 0.00 O ATOM 264 CB SER A 17 -18.601 1.285 7.351 1.00 0.00 C ATOM 265 OG SER A 17 -19.649 1.552 8.279 1.00 0.00 O ATOM 0 H SER A 17 -18.086 3.620 8.016 1.00 0.00 H new ATOM 0 HA SER A 17 -17.052 1.159 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.801 1.811 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.584 0.220 7.120 1.00 0.00 H new ATOM 0 HG SER A 17 -20.505 1.268 7.896 1.00 0.00 H new ATOM 271 N LYS A 18 -16.094 2.159 5.817 1.00 0.00 N ATOM 272 CA LYS A 18 -15.101 1.956 4.775 1.00 0.00 C ATOM 273 C LYS A 18 -13.752 1.631 5.418 1.00 0.00 C ATOM 274 O LYS A 18 -13.229 2.420 6.205 1.00 0.00 O ATOM 275 CB LYS A 18 -15.060 3.160 3.832 1.00 0.00 C ATOM 276 CG LYS A 18 -15.611 2.796 2.452 1.00 0.00 C ATOM 277 CD LYS A 18 -17.008 2.182 2.565 1.00 0.00 C ATOM 278 CE LYS A 18 -17.291 1.245 1.389 1.00 0.00 C ATOM 279 NZ LYS A 18 -18.157 1.912 0.391 1.00 0.00 N ATOM 0 H LYS A 18 -16.732 2.938 5.653 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.371 1.103 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.643 3.978 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.034 3.516 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.651 3.687 1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.939 2.092 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.093 1.631 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.756 2.974 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.353 0.944 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.774 0.336 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.339 1.262 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.059 2.177 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.682 2.766 0.035 1.00 0.00 H new ATOM 293 N PRO A 19 -13.212 0.438 5.051 1.00 0.00 N ATOM 294 CA PRO A 19 -11.933 0.000 5.584 1.00 0.00 C ATOM 295 C PRO A 19 -10.777 0.762 4.933 1.00 0.00 C ATOM 296 O PRO A 19 -10.997 1.746 4.227 1.00 0.00 O ATOM 297 CB PRO A 19 -11.886 -1.495 5.313 1.00 0.00 C ATOM 298 CG PRO A 19 -12.922 -1.756 4.232 1.00 0.00 C ATOM 299 CD PRO A 19 -13.802 -0.521 4.123 1.00 0.00 C ATOM 0 HA PRO A 19 -11.830 0.202 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.893 -1.801 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.112 -2.063 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.435 -1.964 3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.522 -2.631 4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.813 -0.131 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.835 -0.746 4.390 1.00 0.00 H new ATOM 307 N ILE A 20 -9.571 0.280 5.193 1.00 0.00 N ATOM 308 CA ILE A 20 -8.381 0.904 4.641 1.00 0.00 C ATOM 309 C ILE A 20 -7.585 -0.136 3.850 1.00 0.00 C ATOM 310 O ILE A 20 -7.312 -1.226 4.350 1.00 0.00 O ATOM 311 CB ILE A 20 -7.572 1.586 5.746 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.411 2.644 6.466 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.269 2.166 5.194 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.841 2.154 7.850 1.00 0.00 C ATOM 0 H ILE A 20 -9.392 -0.536 5.779 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.655 1.695 3.943 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.301 0.832 6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.835 3.564 6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.292 2.882 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.714 2.645 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.667 1.365 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.496 2.902 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.436 2.925 8.340 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.437 1.247 7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.957 1.941 8.451 1.00 0.00 H new ATOM 326 N TYR A 21 -7.236 0.237 2.627 1.00 0.00 N ATOM 327 CA TYR A 21 -6.477 -0.650 1.762 1.00 0.00 C ATOM 328 C TYR A 21 -5.229 0.049 1.220 1.00 0.00 C ATOM 329 O TYR A 21 -5.280 1.220 0.848 1.00 0.00 O ATOM 330 CB TYR A 21 -7.403 -0.992 0.593 1.00 0.00 C ATOM 331 CG TYR A 21 -8.670 -1.746 1.003 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.671 -2.525 2.141 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.812 -1.646 0.233 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.864 -3.235 2.527 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.004 -2.356 0.619 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.971 -3.115 1.747 1.00 0.00 C ATOM 337 OH TYR A 21 -12.097 -3.785 2.111 1.00 0.00 O ATOM 0 H TYR A 21 -7.465 1.142 2.215 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.150 -1.534 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.689 -0.070 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.852 -1.594 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.778 -2.603 2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.811 -1.036 -0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.878 -3.849 3.416 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.904 -2.287 0.026 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.809 -3.605 1.462 1.00 0.00 H new ATOM 347 N VAL A 22 -4.136 -0.700 1.193 1.00 0.00 N ATOM 348 CA VAL A 22 -2.876 -0.167 0.703 1.00 0.00 C ATOM 349 C VAL A 22 -2.430 -0.969 -0.521 1.00 0.00 C ATOM 350 O VAL A 22 -2.693 -2.167 -0.613 1.00 0.00 O ATOM 351 CB VAL A 22 -1.837 -0.163 1.826 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.627 0.694 1.451 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.456 0.308 3.144 1.00 0.00 C ATOM 0 H VAL A 22 -4.097 -1.671 1.502 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.997 0.869 0.387 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.491 -1.187 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.096 0.679 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.164 0.295 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.949 1.719 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.696 0.301 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.843 1.320 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.270 -0.361 3.423 1.00 0.00 H new ATOM 363 N ALA A 23 -1.762 -0.276 -1.432 1.00 0.00 N ATOM 364 CA ALA A 23 -1.276 -0.909 -2.646 1.00 0.00 C ATOM 365 C ALA A 23 0.245 -1.055 -2.568 1.00 0.00 C ATOM 366 O ALA A 23 0.938 -0.136 -2.133 1.00 0.00 O ATOM 367 CB ALA A 23 -1.722 -0.092 -3.861 1.00 0.00 C ATOM 0 H ALA A 23 -1.546 0.718 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.697 -1.909 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.358 -0.566 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.811 -0.044 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.316 0.917 -3.790 1.00 0.00 H new ATOM 373 N ILE A 24 0.719 -2.216 -2.996 1.00 0.00 N ATOM 374 CA ILE A 24 2.145 -2.493 -2.979 1.00 0.00 C ATOM 375 C ILE A 24 2.496 -3.406 -4.155 1.00 0.00 C ATOM 376 O ILE A 24 2.118 -4.577 -4.171 1.00 0.00 O ATOM 377 CB ILE A 24 2.566 -3.053 -1.619 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.017 -2.194 -0.478 1.00 0.00 C ATOM 379 CG2 ILE A 24 4.086 -3.210 -1.538 1.00 0.00 C ATOM 380 CD1 ILE A 24 2.512 -2.701 0.878 1.00 0.00 C ATOM 0 H ILE A 24 0.141 -2.975 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 24 2.714 -1.572 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 24 2.133 -4.047 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.325 -1.158 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.927 -2.208 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.359 -3.610 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.423 -3.894 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.560 -2.239 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.107 -2.073 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.181 -3.729 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.601 -2.663 0.905 1.00 0.00 H new ATOM 392 N LYS A 25 3.215 -2.837 -5.112 1.00 0.00 N ATOM 393 CA LYS A 25 3.621 -3.585 -6.289 1.00 0.00 C ATOM 394 C LYS A 25 2.386 -3.917 -7.128 1.00 0.00 C ATOM 395 O LYS A 25 2.452 -4.742 -8.038 1.00 0.00 O ATOM 396 CB LYS A 25 4.440 -4.813 -5.887 1.00 0.00 C ATOM 397 CG LYS A 25 5.523 -4.443 -4.872 1.00 0.00 C ATOM 398 CD LYS A 25 5.601 -5.479 -3.750 1.00 0.00 C ATOM 399 CE LYS A 25 6.600 -6.585 -4.093 1.00 0.00 C ATOM 400 NZ LYS A 25 6.088 -7.421 -5.201 1.00 0.00 N ATOM 0 H LYS A 25 3.527 -1.866 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 25 4.279 -2.983 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.781 -5.570 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.901 -5.252 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.488 -4.372 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.311 -3.461 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.897 -4.992 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.616 -5.913 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.557 -6.145 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.780 -7.205 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.234 -8.425 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.072 -7.240 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.597 -7.186 -6.077 1.00 0.00 H new ATOM 414 N GLY A 26 1.287 -3.257 -6.793 1.00 0.00 N ATOM 415 CA GLY A 26 0.038 -3.471 -7.505 1.00 0.00 C ATOM 416 C GLY A 26 -0.878 -4.421 -6.730 1.00 0.00 C ATOM 417 O GLY A 26 -1.841 -4.948 -7.284 1.00 0.00 O ATOM 0 H GLY A 26 1.235 -2.573 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.466 -2.517 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.244 -3.884 -8.493 1.00 0.00 H new ATOM 421 N ARG A 27 -0.544 -4.611 -5.462 1.00 0.00 N ATOM 422 CA ARG A 27 -1.324 -5.489 -4.606 1.00 0.00 C ATOM 423 C ARG A 27 -1.992 -4.684 -3.489 1.00 0.00 C ATOM 424 O ARG A 27 -1.338 -3.888 -2.817 1.00 0.00 O ATOM 425 CB ARG A 27 -0.446 -6.578 -3.987 1.00 0.00 C ATOM 426 CG ARG A 27 -1.277 -7.810 -3.622 1.00 0.00 C ATOM 427 CD ARG A 27 -0.464 -8.785 -2.767 1.00 0.00 C ATOM 428 NE ARG A 27 -0.227 -10.039 -3.517 1.00 0.00 N ATOM 429 CZ ARG A 27 0.301 -11.147 -2.980 1.00 0.00 C ATOM 430 NH1 ARG A 27 0.650 -11.163 -1.686 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.481 -12.238 -3.736 1.00 0.00 N ATOM 0 H ARG A 27 0.256 -4.172 -5.007 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.087 -5.963 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.339 -6.859 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.047 -6.190 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.171 -7.503 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.612 -8.310 -4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.488 -8.332 -2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.996 -9.001 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.482 -10.061 -4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.514 -10.332 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.052 -12.006 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.216 -12.225 -4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.883 -13.081 -3.327 1.00 0.00 H new ATOM 445 N VAL A 28 -3.285 -4.920 -3.325 1.00 0.00 N ATOM 446 CA VAL A 28 -4.048 -4.228 -2.300 1.00 0.00 C ATOM 447 C VAL A 28 -3.969 -5.016 -0.991 1.00 0.00 C ATOM 448 O VAL A 28 -4.262 -6.210 -0.963 1.00 0.00 O ATOM 449 CB VAL A 28 -5.484 -4.004 -2.778 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.341 -3.390 -1.670 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.514 -3.138 -4.039 1.00 0.00 C ATOM 0 H VAL A 28 -3.824 -5.581 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.625 -3.241 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.909 -4.976 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.357 -3.241 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.359 -4.060 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.918 -2.430 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.547 -2.994 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.062 -2.169 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.955 -3.632 -4.833 1.00 0.00 H new ATOM 461 N PHE A 29 -3.572 -4.316 0.061 1.00 0.00 N ATOM 462 CA PHE A 29 -3.451 -4.935 1.370 1.00 0.00 C ATOM 463 C PHE A 29 -4.340 -4.229 2.395 1.00 0.00 C ATOM 464 O PHE A 29 -4.620 -3.038 2.264 1.00 0.00 O ATOM 465 CB PHE A 29 -1.988 -4.794 1.798 1.00 0.00 C ATOM 466 CG PHE A 29 -1.035 -5.753 1.081 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.116 -7.091 1.311 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.106 -5.267 0.215 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.232 -7.980 0.645 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.778 -6.156 -0.450 1.00 0.00 C ATOM 471 CZ PHE A 29 0.697 -7.494 -0.221 1.00 0.00 C ATOM 0 H PHE A 29 -3.330 -3.326 0.034 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.761 -5.979 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.663 -3.770 1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.917 -4.963 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.853 -7.477 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.041 -4.204 0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.297 -9.043 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.515 -5.770 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.370 -8.170 -0.727 1.00 0.00 H new ATOM 481 N ASP A 30 -4.760 -4.993 3.393 1.00 0.00 N ATOM 482 CA ASP A 30 -5.612 -4.456 4.440 1.00 0.00 C ATOM 483 C ASP A 30 -4.752 -4.078 5.647 1.00 0.00 C ATOM 484 O ASP A 30 -3.993 -4.902 6.155 1.00 0.00 O ATOM 485 CB ASP A 30 -6.642 -5.491 4.897 1.00 0.00 C ATOM 486 CG ASP A 30 -7.102 -5.346 6.349 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.210 -5.277 7.223 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.335 -5.309 6.553 1.00 0.00 O ATOM 0 H ASP A 30 -4.526 -5.980 3.498 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.131 -3.585 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.514 -5.425 4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.219 -6.487 4.763 1.00 0.00 H new ATOM 493 N VAL A 31 -4.899 -2.832 6.072 1.00 0.00 N ATOM 494 CA VAL A 31 -4.146 -2.335 7.211 1.00 0.00 C ATOM 495 C VAL A 31 -5.107 -1.689 8.211 1.00 0.00 C ATOM 496 O VAL A 31 -4.675 -1.105 9.203 1.00 0.00 O ATOM 497 CB VAL A 31 -3.047 -1.381 6.735 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.193 -2.029 5.644 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.643 -0.057 6.253 1.00 0.00 C ATOM 0 H VAL A 31 -5.529 -2.151 5.648 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.646 -3.155 7.726 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.398 -1.167 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.420 -1.330 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.726 -2.932 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.824 -2.287 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.842 0.603 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.326 -0.246 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.187 0.416 7.071 1.00 0.00 H new ATOM 509 N THR A 32 -6.392 -1.816 7.914 1.00 0.00 N ATOM 510 CA THR A 32 -7.418 -1.252 8.775 1.00 0.00 C ATOM 511 C THR A 32 -7.196 -1.687 10.225 1.00 0.00 C ATOM 512 O THR A 32 -7.646 -1.018 11.153 1.00 0.00 O ATOM 513 CB THR A 32 -8.781 -1.665 8.218 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.539 -2.009 9.375 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.717 -2.967 7.416 1.00 0.00 C ATOM 0 H THR A 32 -6.746 -2.301 7.090 1.00 0.00 H new ATOM 0 HA THR A 32 -7.372 -0.163 8.785 1.00 0.00 H new ATOM 0 HB THR A 32 -9.170 -0.867 7.585 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.439 -2.288 9.105 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.711 -3.214 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.035 -2.843 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.359 -3.772 8.058 1.00 0.00 H new ATOM 523 N THR A 33 -6.502 -2.806 10.374 1.00 0.00 N ATOM 524 CA THR A 33 -6.215 -3.338 11.695 1.00 0.00 C ATOM 525 C THR A 33 -5.506 -2.287 12.551 1.00 0.00 C ATOM 526 O THR A 33 -5.327 -2.478 13.753 1.00 0.00 O ATOM 527 CB THR A 33 -5.407 -4.626 11.520 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.126 -4.176 11.087 1.00 0.00 O ATOM 529 CG2 THR A 33 -5.914 -5.483 10.359 1.00 0.00 C ATOM 0 H THR A 33 -6.130 -3.359 9.602 1.00 0.00 H new ATOM 0 HA THR A 33 -7.132 -3.583 12.231 1.00 0.00 H new ATOM 0 HB THR A 33 -5.445 -5.206 12.442 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.537 -4.947 10.951 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.306 -6.384 10.279 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.953 -5.761 10.538 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.845 -4.916 9.431 1.00 0.00 H new ATOM 537 N GLY A 34 -5.120 -1.201 11.898 1.00 0.00 N ATOM 538 CA GLY A 34 -4.435 -0.119 12.584 1.00 0.00 C ATOM 539 C GLY A 34 -4.644 1.211 11.858 1.00 0.00 C ATOM 540 O GLY A 34 -3.689 1.948 11.616 1.00 0.00 O ATOM 0 H GLY A 34 -5.269 -1.047 10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.804 -0.041 13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.369 -0.340 12.646 1.00 0.00 H new ATOM 544 N LYS A 35 -5.900 1.478 11.531 1.00 0.00 N ATOM 545 CA LYS A 35 -6.247 2.707 10.837 1.00 0.00 C ATOM 546 C LYS A 35 -5.605 3.894 11.558 1.00 0.00 C ATOM 547 O LYS A 35 -5.362 4.936 10.951 1.00 0.00 O ATOM 548 CB LYS A 35 -7.765 2.827 10.687 1.00 0.00 C ATOM 549 CG LYS A 35 -8.371 3.610 11.853 1.00 0.00 C ATOM 550 CD LYS A 35 -9.792 3.130 12.156 1.00 0.00 C ATOM 551 CE LYS A 35 -10.085 3.195 13.656 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.537 3.050 13.908 1.00 0.00 N ATOM 0 H LYS A 35 -6.689 0.865 11.734 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.849 2.697 9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.003 3.325 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.209 1.833 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.747 3.492 12.739 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.386 4.673 11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.511 3.745 11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.917 2.107 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.540 2.406 14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.733 4.144 14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.718 3.096 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.051 3.818 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.863 2.134 13.540 1.00 0.00 H new ATOM 566 N SER A 36 -5.349 3.696 12.843 1.00 0.00 N ATOM 567 CA SER A 36 -4.739 4.737 13.653 1.00 0.00 C ATOM 568 C SER A 36 -3.397 5.153 13.047 1.00 0.00 C ATOM 569 O SER A 36 -2.869 6.216 13.371 1.00 0.00 O ATOM 570 CB SER A 36 -4.547 4.270 15.097 1.00 0.00 C ATOM 571 OG SER A 36 -5.148 5.163 16.031 1.00 0.00 O ATOM 0 H SER A 36 -5.553 2.831 13.343 1.00 0.00 H new ATOM 0 HA SER A 36 -5.408 5.598 13.664 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.978 3.276 15.217 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.482 4.184 15.312 1.00 0.00 H new ATOM 0 HG SER A 36 -5.005 4.829 16.941 1.00 0.00 H new ATOM 577 N PHE A 37 -2.884 4.294 12.179 1.00 0.00 N ATOM 578 CA PHE A 37 -1.614 4.559 11.525 1.00 0.00 C ATOM 579 C PHE A 37 -1.816 4.882 10.044 1.00 0.00 C ATOM 580 O PHE A 37 -1.183 5.791 9.510 1.00 0.00 O ATOM 581 CB PHE A 37 -0.773 3.286 11.648 1.00 0.00 C ATOM 582 CG PHE A 37 -0.568 2.812 13.088 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.292 3.475 13.906 1.00 0.00 C ATOM 584 CD2 PHE A 37 -1.246 1.727 13.549 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.482 3.035 15.243 1.00 0.00 C ATOM 586 CE2 PHE A 37 -1.056 1.287 14.886 1.00 0.00 C ATOM 587 CZ PHE A 37 -0.196 1.950 15.704 1.00 0.00 C ATOM 0 H PHE A 37 -3.325 3.413 11.913 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.127 5.415 11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.253 2.490 11.079 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.201 3.461 11.192 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.831 4.336 13.539 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.929 1.200 12.899 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.165 3.562 15.893 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.595 0.426 15.253 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.051 1.615 16.720 1.00 0.00 H new ATOM 597 N TYR A 38 -2.703 4.119 9.421 1.00 0.00 N ATOM 598 CA TYR A 38 -2.997 4.312 8.011 1.00 0.00 C ATOM 599 C TYR A 38 -4.243 5.180 7.825 1.00 0.00 C ATOM 600 O TYR A 38 -4.301 6.002 6.912 1.00 0.00 O ATOM 601 CB TYR A 38 -3.271 2.919 7.443 1.00 0.00 C ATOM 602 CG TYR A 38 -2.228 2.444 6.429 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.124 3.068 5.203 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.393 1.391 6.740 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.142 2.622 4.248 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.411 0.944 5.786 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.334 1.581 4.587 1.00 0.00 C ATOM 608 OH TYR A 38 0.593 1.159 3.686 1.00 0.00 O ATOM 0 H TYR A 38 -3.227 3.366 9.867 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.167 4.811 7.511 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.315 2.205 8.265 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.252 2.918 6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.779 3.891 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.476 0.902 7.699 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.049 3.103 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.249 0.121 6.018 1.00 0.00 H new ATOM 0 HH TYR A 38 1.192 0.510 4.112 1.00 0.00 H new ATOM 618 N GLY A 39 -5.210 4.968 8.706 1.00 0.00 N ATOM 619 CA GLY A 39 -6.451 5.721 8.650 1.00 0.00 C ATOM 620 C GLY A 39 -6.179 7.226 8.633 1.00 0.00 C ATOM 621 O GLY A 39 -5.591 7.744 7.685 1.00 0.00 O ATOM 0 H GLY A 39 -5.159 4.286 9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.012 5.439 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.072 5.470 9.510 1.00 0.00 H new ATOM 625 N SER A 40 -6.621 7.887 9.693 1.00 0.00 N ATOM 626 CA SER A 40 -6.432 9.323 9.811 1.00 0.00 C ATOM 627 C SER A 40 -4.941 9.661 9.769 1.00 0.00 C ATOM 628 O SER A 40 -4.152 8.931 9.170 1.00 0.00 O ATOM 629 CB SER A 40 -7.061 9.857 11.100 1.00 0.00 C ATOM 630 OG SER A 40 -7.722 11.102 10.896 1.00 0.00 O ATOM 0 H SER A 40 -7.109 7.455 10.477 1.00 0.00 H new ATOM 0 HA SER A 40 -6.930 9.803 8.969 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.773 9.127 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.287 9.978 11.858 1.00 0.00 H new ATOM 0 HG SER A 40 -8.111 11.408 11.742 1.00 0.00 H new ATOM 636 N GLY A 41 -4.598 10.766 10.414 1.00 0.00 N ATOM 637 CA GLY A 41 -3.215 11.209 10.457 1.00 0.00 C ATOM 638 C GLY A 41 -2.348 10.224 11.245 1.00 0.00 C ATOM 639 O GLY A 41 -1.805 10.570 12.292 1.00 0.00 O ATOM 0 H GLY A 41 -5.254 11.368 10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.829 11.308 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.160 12.196 10.916 1.00 0.00 H new ATOM 643 N GLY A 42 -2.247 9.016 10.710 1.00 0.00 N ATOM 644 CA GLY A 42 -1.456 7.979 11.349 1.00 0.00 C ATOM 645 C GLY A 42 -0.002 8.025 10.873 1.00 0.00 C ATOM 646 O GLY A 42 0.566 9.104 10.709 1.00 0.00 O ATOM 0 H GLY A 42 -2.700 8.733 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.492 8.104 12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.884 7.002 11.127 1.00 0.00 H new ATOM 650 N ASP A 43 0.557 6.843 10.664 1.00 0.00 N ATOM 651 CA ASP A 43 1.933 6.735 10.210 1.00 0.00 C ATOM 652 C ASP A 43 1.954 6.604 8.686 1.00 0.00 C ATOM 653 O ASP A 43 2.887 7.068 8.033 1.00 0.00 O ATOM 654 CB ASP A 43 2.612 5.498 10.800 1.00 0.00 C ATOM 655 CG ASP A 43 3.626 5.784 11.910 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.662 6.949 12.359 1.00 0.00 O ATOM 657 OD2 ASP A 43 4.343 4.830 12.284 1.00 0.00 O ATOM 0 H ASP A 43 0.082 5.951 10.801 1.00 0.00 H new ATOM 0 HA ASP A 43 2.466 7.629 10.535 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.843 4.833 11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.117 4.961 9.997 1.00 0.00 H new ATOM 662 N TYR A 44 0.914 5.970 8.164 1.00 0.00 N ATOM 663 CA TYR A 44 0.801 5.772 6.729 1.00 0.00 C ATOM 664 C TYR A 44 -0.336 6.615 6.147 1.00 0.00 C ATOM 665 O TYR A 44 -1.171 6.107 5.401 1.00 0.00 O ATOM 666 CB TYR A 44 0.474 4.291 6.532 1.00 0.00 C ATOM 667 CG TYR A 44 1.058 3.376 7.611 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.426 3.261 7.752 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.216 2.666 8.442 1.00 0.00 C ATOM 670 CE1 TYR A 44 2.975 2.400 8.767 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.765 1.804 9.457 1.00 0.00 C ATOM 672 CZ TYR A 44 2.118 1.714 9.570 1.00 0.00 C ATOM 673 OH TYR A 44 2.636 0.901 10.529 1.00 0.00 O ATOM 0 H TYR A 44 0.142 5.587 8.709 1.00 0.00 H new ATOM 0 HA TYR A 44 1.723 6.067 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.609 4.168 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.848 3.973 5.559 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.085 3.817 7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.855 2.757 8.331 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.044 2.301 8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.117 1.242 10.113 1.00 0.00 H new ATOM 0 HH TYR A 44 1.906 0.476 11.027 1.00 0.00 H new ATOM 683 N SER A 45 -0.331 7.889 6.511 1.00 0.00 N ATOM 684 CA SER A 45 -1.352 8.807 6.035 1.00 0.00 C ATOM 685 C SER A 45 -1.214 9.005 4.524 1.00 0.00 C ATOM 686 O SER A 45 -2.205 9.222 3.829 1.00 0.00 O ATOM 687 CB SER A 45 -1.263 10.153 6.757 1.00 0.00 C ATOM 688 OG SER A 45 -0.298 11.016 6.161 1.00 0.00 O ATOM 0 H SER A 45 0.364 8.307 7.130 1.00 0.00 H new ATOM 0 HA SER A 45 -2.329 8.374 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.240 10.637 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.004 9.987 7.803 1.00 0.00 H new ATOM 0 HG SER A 45 -0.273 11.865 6.649 1.00 0.00 H new ATOM 694 N MET A 46 0.025 8.923 4.060 1.00 0.00 N ATOM 695 CA MET A 46 0.306 9.090 2.644 1.00 0.00 C ATOM 696 C MET A 46 0.121 7.772 1.889 1.00 0.00 C ATOM 697 O MET A 46 -0.232 7.772 0.710 1.00 0.00 O ATOM 698 CB MET A 46 1.742 9.585 2.463 1.00 0.00 C ATOM 699 CG MET A 46 2.724 8.721 3.258 1.00 0.00 C ATOM 700 SD MET A 46 3.129 9.521 4.801 1.00 0.00 S ATOM 701 CE MET A 46 3.435 11.180 4.220 1.00 0.00 C ATOM 0 H MET A 46 0.845 8.743 4.639 1.00 0.00 H new ATOM 0 HA MET A 46 -0.393 9.821 2.238 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.007 9.564 1.406 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.817 10.622 2.790 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.286 7.742 3.451 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.630 8.556 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.171 11.661 4.864 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.815 11.144 3.199 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.506 11.750 4.242 1.00 0.00 H new ATOM 711 N PHE A 47 0.367 6.681 2.598 1.00 0.00 N ATOM 712 CA PHE A 47 0.232 5.359 2.010 1.00 0.00 C ATOM 713 C PHE A 47 -1.240 4.996 1.809 1.00 0.00 C ATOM 714 O PHE A 47 -1.594 4.343 0.829 1.00 0.00 O ATOM 715 CB PHE A 47 0.861 4.367 2.990 1.00 0.00 C ATOM 716 CG PHE A 47 2.335 4.640 3.293 1.00 0.00 C ATOM 717 CD1 PHE A 47 2.994 5.629 2.630 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.988 3.896 4.225 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.362 5.883 2.911 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.356 4.149 4.506 1.00 0.00 C ATOM 721 CZ PHE A 47 5.015 5.138 3.843 1.00 0.00 C ATOM 0 H PHE A 47 0.659 6.685 3.575 1.00 0.00 H new ATOM 0 HA PHE A 47 0.721 5.334 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.299 4.389 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.765 3.360 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.476 6.221 1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.465 3.112 4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.885 6.668 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.874 3.557 5.246 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.056 5.331 4.057 1.00 0.00 H new ATOM 731 N ALA A 48 -2.059 5.436 2.753 1.00 0.00 N ATOM 732 CA ALA A 48 -3.486 5.165 2.692 1.00 0.00 C ATOM 733 C ALA A 48 -3.991 5.432 1.273 1.00 0.00 C ATOM 734 O ALA A 48 -3.781 6.515 0.729 1.00 0.00 O ATOM 735 CB ALA A 48 -4.212 6.013 3.738 1.00 0.00 C ATOM 0 H ALA A 48 -1.762 5.978 3.564 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.688 4.119 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.282 5.810 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.838 5.765 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.034 7.069 3.537 1.00 0.00 H new ATOM 741 N GLY A 49 -4.646 4.425 0.714 1.00 0.00 N ATOM 742 CA GLY A 49 -5.183 4.538 -0.632 1.00 0.00 C ATOM 743 C GLY A 49 -4.122 5.058 -1.604 1.00 0.00 C ATOM 744 O GLY A 49 -4.421 5.868 -2.480 1.00 0.00 O ATOM 0 H GLY A 49 -4.817 3.528 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.542 3.565 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.040 5.211 -0.630 1.00 0.00 H new ATOM 748 N LYS A 50 -2.904 4.572 -1.416 1.00 0.00 N ATOM 749 CA LYS A 50 -1.797 4.978 -2.265 1.00 0.00 C ATOM 750 C LYS A 50 -0.711 3.900 -2.229 1.00 0.00 C ATOM 751 O LYS A 50 -0.424 3.338 -1.174 1.00 0.00 O ATOM 752 CB LYS A 50 -1.298 6.368 -1.866 1.00 0.00 C ATOM 753 CG LYS A 50 -2.347 7.437 -2.177 1.00 0.00 C ATOM 754 CD LYS A 50 -1.713 8.829 -2.224 1.00 0.00 C ATOM 755 CE LYS A 50 -2.143 9.668 -1.019 1.00 0.00 C ATOM 756 NZ LYS A 50 -1.879 11.103 -1.266 1.00 0.00 N ATOM 0 H LYS A 50 -2.659 3.901 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.124 5.068 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.063 6.382 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.374 6.594 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.823 7.218 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.130 7.415 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.627 8.738 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.003 9.334 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.204 9.516 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.604 9.341 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.177 11.658 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.862 11.246 -1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.413 11.415 -2.102 1.00 0.00 H new ATOM 770 N ASP A 51 -0.136 3.646 -3.396 1.00 0.00 N ATOM 771 CA ASP A 51 0.912 2.646 -3.511 1.00 0.00 C ATOM 772 C ASP A 51 2.222 3.222 -2.971 1.00 0.00 C ATOM 773 O ASP A 51 2.786 4.146 -3.556 1.00 0.00 O ATOM 774 CB ASP A 51 1.136 2.249 -4.972 1.00 0.00 C ATOM 775 CG ASP A 51 2.187 1.159 -5.192 1.00 0.00 C ATOM 776 OD1 ASP A 51 3.286 1.305 -4.615 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.867 0.204 -5.932 1.00 0.00 O ATOM 0 H ASP A 51 -0.376 4.115 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 51 0.605 1.769 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.188 1.909 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.431 3.136 -5.533 1.00 0.00 H new ATOM 782 N ALA A 52 2.669 2.654 -1.861 1.00 0.00 N ATOM 783 CA ALA A 52 3.902 3.099 -1.235 1.00 0.00 C ATOM 784 C ALA A 52 5.007 2.077 -1.510 1.00 0.00 C ATOM 785 O ALA A 52 5.591 1.525 -0.580 1.00 0.00 O ATOM 786 CB ALA A 52 3.667 3.316 0.261 1.00 0.00 C ATOM 0 H ALA A 52 2.199 1.888 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 52 4.223 4.052 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.593 3.650 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.895 4.073 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.346 2.380 0.718 1.00 0.00 H new ATOM 792 N SER A 53 5.259 1.856 -2.792 1.00 0.00 N ATOM 793 CA SER A 53 6.283 0.910 -3.201 1.00 0.00 C ATOM 794 C SER A 53 7.672 1.506 -2.963 1.00 0.00 C ATOM 795 O SER A 53 8.507 0.897 -2.296 1.00 0.00 O ATOM 796 CB SER A 53 6.118 0.520 -4.671 1.00 0.00 C ATOM 797 OG SER A 53 6.023 1.662 -5.518 1.00 0.00 O ATOM 0 H SER A 53 4.772 2.316 -3.561 1.00 0.00 H new ATOM 0 HA SER A 53 6.174 0.008 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.965 -0.092 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.223 -0.092 -4.786 1.00 0.00 H new ATOM 0 HG SER A 53 5.080 1.896 -5.647 1.00 0.00 H new ATOM 803 N ARG A 54 7.876 2.691 -3.520 1.00 0.00 N ATOM 804 CA ARG A 54 9.149 3.376 -3.377 1.00 0.00 C ATOM 805 C ARG A 54 9.362 3.802 -1.923 1.00 0.00 C ATOM 806 O ARG A 54 10.468 3.694 -1.397 1.00 0.00 O ATOM 807 CB ARG A 54 9.213 4.612 -4.277 1.00 0.00 C ATOM 808 CG ARG A 54 8.467 4.373 -5.591 1.00 0.00 C ATOM 809 CD ARG A 54 9.307 4.820 -6.789 1.00 0.00 C ATOM 810 NE ARG A 54 9.210 6.287 -6.956 1.00 0.00 N ATOM 811 CZ ARG A 54 9.697 6.957 -8.009 1.00 0.00 C ATOM 812 NH1 ARG A 54 10.319 6.296 -8.995 1.00 0.00 N ATOM 813 NH2 ARG A 54 9.563 8.289 -8.076 1.00 0.00 N ATOM 0 H ARG A 54 7.181 3.194 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 54 9.935 2.682 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.779 5.467 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.254 4.861 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.224 3.315 -5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.523 4.917 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.348 4.530 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.961 4.319 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 54 8.743 6.822 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.422 5.282 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.690 6.806 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.090 8.792 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.934 8.799 -8.878 1.00 0.00 H new ATOM 827 N ALA A 55 8.284 4.276 -1.314 1.00 0.00 N ATOM 828 CA ALA A 55 8.340 4.718 0.069 1.00 0.00 C ATOM 829 C ALA A 55 8.744 3.541 0.960 1.00 0.00 C ATOM 830 O ALA A 55 9.594 3.686 1.837 1.00 0.00 O ATOM 831 CB ALA A 55 6.989 5.315 0.468 1.00 0.00 C ATOM 0 H ALA A 55 7.368 4.363 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 55 9.091 5.498 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.030 5.647 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.762 6.165 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.211 4.559 0.359 1.00 0.00 H new ATOM 837 N LEU A 56 8.115 2.404 0.704 1.00 0.00 N ATOM 838 CA LEU A 56 8.398 1.203 1.472 1.00 0.00 C ATOM 839 C LEU A 56 9.867 0.818 1.285 1.00 0.00 C ATOM 840 O LEU A 56 10.574 0.560 2.258 1.00 0.00 O ATOM 841 CB LEU A 56 7.419 0.087 1.103 1.00 0.00 C ATOM 842 CG LEU A 56 6.149 0.002 1.953 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.545 1.389 2.178 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.141 -0.970 1.336 1.00 0.00 C ATOM 0 H LEU A 56 7.410 2.288 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 56 8.248 1.388 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.127 0.216 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.943 -0.866 1.171 1.00 0.00 H new ATOM 0 HG LEU A 56 6.419 -0.393 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.644 1.299 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.268 2.021 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.292 1.836 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.248 -1.012 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.871 -0.628 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.586 -1.963 1.272 1.00 0.00 H new ATOM 856 N GLY A 57 10.283 0.791 0.027 1.00 0.00 N ATOM 857 CA GLY A 57 11.655 0.442 -0.300 1.00 0.00 C ATOM 858 C GLY A 57 12.643 1.294 0.500 1.00 0.00 C ATOM 859 O GLY A 57 13.187 0.841 1.506 1.00 0.00 O ATOM 0 H GLY A 57 9.694 1.005 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.826 -0.614 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.826 0.586 -1.367 1.00 0.00 H new ATOM 863 N LYS A 58 12.846 2.513 0.022 1.00 0.00 N ATOM 864 CA LYS A 58 13.759 3.433 0.679 1.00 0.00 C ATOM 865 C LYS A 58 13.329 3.617 2.136 1.00 0.00 C ATOM 866 O LYS A 58 14.130 4.024 2.976 1.00 0.00 O ATOM 867 CB LYS A 58 13.856 4.743 -0.104 1.00 0.00 C ATOM 868 CG LYS A 58 14.216 4.482 -1.568 1.00 0.00 C ATOM 869 CD LYS A 58 13.647 5.574 -2.476 1.00 0.00 C ATOM 870 CE LYS A 58 13.072 4.974 -3.761 1.00 0.00 C ATOM 871 NZ LYS A 58 13.992 5.205 -4.897 1.00 0.00 N ATOM 0 H LYS A 58 12.394 2.885 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 58 14.769 3.023 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.906 5.275 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.609 5.387 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.300 4.441 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.828 3.511 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.868 6.123 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.430 6.291 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.909 3.904 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.101 5.420 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.946 4.397 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.714 6.073 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.964 5.307 -4.541 1.00 0.00 H new ATOM 885 N MET A 59 12.066 3.309 2.390 1.00 0.00 N ATOM 886 CA MET A 59 11.520 3.436 3.731 1.00 0.00 C ATOM 887 C MET A 59 11.287 4.904 4.091 1.00 0.00 C ATOM 888 O MET A 59 11.586 5.328 5.206 1.00 0.00 O ATOM 889 CB MET A 59 12.488 2.810 4.737 1.00 0.00 C ATOM 890 CG MET A 59 13.065 1.499 4.201 1.00 0.00 C ATOM 891 SD MET A 59 13.676 0.503 5.551 1.00 0.00 S ATOM 892 CE MET A 59 12.203 -0.427 5.941 1.00 0.00 C ATOM 0 H MET A 59 11.405 2.972 1.690 1.00 0.00 H new ATOM 0 HA MET A 59 10.562 2.917 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.298 3.508 4.950 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.970 2.626 5.678 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.298 0.952 3.653 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.872 1.708 3.498 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.352 -0.970 6.874 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.360 0.255 6.049 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.996 -1.135 5.138 1.00 0.00 H new ATOM 902 N SER A 60 10.755 5.640 3.126 1.00 0.00 N ATOM 903 CA SER A 60 10.478 7.052 3.328 1.00 0.00 C ATOM 904 C SER A 60 8.970 7.304 3.265 1.00 0.00 C ATOM 905 O SER A 60 8.206 6.425 2.869 1.00 0.00 O ATOM 906 CB SER A 60 11.203 7.909 2.288 1.00 0.00 C ATOM 907 OG SER A 60 11.808 9.059 2.872 1.00 0.00 O ATOM 0 H SER A 60 10.508 5.285 2.202 1.00 0.00 H new ATOM 0 HA SER A 60 10.846 7.335 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.967 7.309 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.496 8.222 1.520 1.00 0.00 H new ATOM 0 HG SER A 60 11.515 9.862 2.392 1.00 0.00 H new ATOM 913 N LYS A 61 8.587 8.508 3.663 1.00 0.00 N ATOM 914 CA LYS A 61 7.184 8.886 3.657 1.00 0.00 C ATOM 915 C LYS A 61 6.947 9.934 2.568 1.00 0.00 C ATOM 916 O LYS A 61 5.935 10.634 2.583 1.00 0.00 O ATOM 917 CB LYS A 61 6.745 9.339 5.051 1.00 0.00 C ATOM 918 CG LYS A 61 7.094 10.810 5.285 1.00 0.00 C ATOM 919 CD LYS A 61 7.497 11.053 6.741 1.00 0.00 C ATOM 920 CE LYS A 61 7.681 12.547 7.017 1.00 0.00 C ATOM 921 NZ LYS A 61 7.923 12.782 8.458 1.00 0.00 N ATOM 0 H LYS A 61 9.223 9.234 3.992 1.00 0.00 H new ATOM 0 HA LYS A 61 6.559 8.026 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.670 9.194 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.230 8.722 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.910 11.103 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.238 11.435 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.734 10.648 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.424 10.522 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.519 12.930 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.794 13.094 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.046 13.801 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.111 12.435 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.782 12.276 8.753 1.00 0.00 H new ATOM 935 N ASN A 62 7.898 10.010 1.648 1.00 0.00 N ATOM 936 CA ASN A 62 7.805 10.961 0.553 1.00 0.00 C ATOM 937 C ASN A 62 6.477 10.762 -0.179 1.00 0.00 C ATOM 938 O ASN A 62 5.982 9.641 -0.281 1.00 0.00 O ATOM 939 CB ASN A 62 8.937 10.752 -0.455 1.00 0.00 C ATOM 940 CG ASN A 62 10.258 11.306 0.080 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.676 11.021 1.191 1.00 0.00 O ATOM 942 ND2 ASN A 62 10.891 12.111 -0.769 1.00 0.00 N ATOM 0 H ASN A 62 8.736 9.429 1.638 1.00 0.00 H new ATOM 0 HA ASN A 62 7.875 11.965 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.045 9.689 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.687 11.244 -1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.782 12.531 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.485 12.308 -1.684 1.00 0.00 H new ATOM 949 N GLU A 63 5.937 11.868 -0.670 1.00 0.00 N ATOM 950 CA GLU A 63 4.675 11.829 -1.390 1.00 0.00 C ATOM 951 C GLU A 63 4.890 11.305 -2.811 1.00 0.00 C ATOM 952 O GLU A 63 3.963 10.790 -3.433 1.00 0.00 O ATOM 953 CB GLU A 63 4.012 13.208 -1.408 1.00 0.00 C ATOM 954 CG GLU A 63 2.515 13.101 -1.111 1.00 0.00 C ATOM 955 CD GLU A 63 1.801 14.420 -1.409 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.850 15.304 -0.526 1.00 0.00 O ATOM 957 OE2 GLU A 63 1.222 14.516 -2.513 1.00 0.00 O ATOM 0 H GLU A 63 6.350 12.797 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 63 4.003 11.146 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.488 13.854 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.161 13.674 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.078 12.303 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.367 12.831 -0.065 1.00 0.00 H new ATOM 964 N GLU A 64 6.120 11.454 -3.283 1.00 0.00 N ATOM 965 CA GLU A 64 6.468 11.002 -4.619 1.00 0.00 C ATOM 966 C GLU A 64 6.897 9.534 -4.587 1.00 0.00 C ATOM 967 O GLU A 64 6.870 8.854 -5.612 1.00 0.00 O ATOM 968 CB GLU A 64 7.564 11.880 -5.226 1.00 0.00 C ATOM 969 CG GLU A 64 7.321 13.358 -4.911 1.00 0.00 C ATOM 970 CD GLU A 64 6.936 14.131 -6.174 1.00 0.00 C ATOM 971 OE1 GLU A 64 5.719 14.195 -6.452 1.00 0.00 O ATOM 972 OE2 GLU A 64 7.867 14.641 -6.833 1.00 0.00 O ATOM 0 H GLU A 64 6.887 11.881 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 64 5.585 11.089 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.536 11.576 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.595 11.735 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.529 13.450 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.220 13.793 -4.474 1.00 0.00 H new ATOM 979 N ASP A 65 7.282 9.088 -3.401 1.00 0.00 N ATOM 980 CA ASP A 65 7.716 7.713 -3.222 1.00 0.00 C ATOM 981 C ASP A 65 6.518 6.778 -3.399 1.00 0.00 C ATOM 982 O ASP A 65 6.682 5.615 -3.765 1.00 0.00 O ATOM 983 CB ASP A 65 8.285 7.492 -1.819 1.00 0.00 C ATOM 984 CG ASP A 65 9.805 7.627 -1.709 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.434 7.841 -2.768 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.304 7.512 -0.569 1.00 0.00 O ATOM 0 H ASP A 65 7.303 9.655 -2.553 1.00 0.00 H new ATOM 0 HA ASP A 65 8.490 7.505 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.822 8.207 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.998 6.497 -1.480 1.00 0.00 H new ATOM 991 N VAL A 66 5.339 7.321 -3.131 1.00 0.00 N ATOM 992 CA VAL A 66 4.114 6.550 -3.256 1.00 0.00 C ATOM 993 C VAL A 66 3.726 6.453 -4.733 1.00 0.00 C ATOM 994 O VAL A 66 3.003 7.305 -5.246 1.00 0.00 O ATOM 995 CB VAL A 66 3.016 7.169 -2.389 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.944 6.134 -2.040 1.00 0.00 C ATOM 997 CG2 VAL A 66 3.604 7.797 -1.124 1.00 0.00 C ATOM 0 H VAL A 66 5.207 8.286 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 66 4.263 5.534 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 66 2.541 7.962 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.176 6.600 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.493 5.754 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.399 5.310 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.802 8.230 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.118 7.031 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.312 8.578 -1.401 1.00 0.00 H new ATOM 1007 N SER A 67 4.224 5.406 -5.375 1.00 0.00 N ATOM 1008 CA SER A 67 3.939 5.186 -6.782 1.00 0.00 C ATOM 1009 C SER A 67 3.211 3.853 -6.966 1.00 0.00 C ATOM 1010 O SER A 67 3.657 2.824 -6.463 1.00 0.00 O ATOM 1011 CB SER A 67 5.222 5.209 -7.615 1.00 0.00 C ATOM 1012 OG SER A 67 5.085 4.476 -8.828 1.00 0.00 O ATOM 0 H SER A 67 4.823 4.701 -4.946 1.00 0.00 H new ATOM 0 HA SER A 67 3.297 5.995 -7.131 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.487 6.241 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.041 4.791 -7.030 1.00 0.00 H new ATOM 0 HG SER A 67 5.812 3.823 -8.899 1.00 0.00 H new ATOM 1018 N PRO A 68 2.073 3.918 -7.709 1.00 0.00 N ATOM 1019 CA PRO A 68 1.279 2.729 -7.966 1.00 0.00 C ATOM 1020 C PRO A 68 1.951 1.836 -9.010 1.00 0.00 C ATOM 1021 O PRO A 68 1.362 0.857 -9.467 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.077 3.250 -8.414 1.00 0.00 C ATOM 1023 CG PRO A 68 0.150 4.692 -8.837 1.00 0.00 C ATOM 1024 CD PRO A 68 1.515 5.120 -8.320 1.00 0.00 C ATOM 0 HA PRO A 68 1.176 2.094 -7.086 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.469 2.658 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.805 3.190 -7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.107 4.783 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.631 5.336 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.149 5.484 -9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.428 5.929 -7.595 1.00 0.00 H new ATOM 1032 N SER A 69 3.175 2.205 -9.358 1.00 0.00 N ATOM 1033 CA SER A 69 3.933 1.449 -10.341 1.00 0.00 C ATOM 1034 C SER A 69 5.431 1.577 -10.057 1.00 0.00 C ATOM 1035 O SER A 69 6.026 2.626 -10.303 1.00 0.00 O ATOM 1036 CB SER A 69 3.620 1.923 -11.761 1.00 0.00 C ATOM 1037 OG SER A 69 3.623 0.847 -12.696 1.00 0.00 O ATOM 0 H SER A 69 3.661 3.017 -8.977 1.00 0.00 H new ATOM 0 HA SER A 69 3.643 0.401 -10.265 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.646 2.412 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.355 2.669 -12.064 1.00 0.00 H new ATOM 0 HG SER A 69 3.417 1.190 -13.591 1.00 0.00 H new ATOM 1043 N LEU A 70 5.998 0.496 -9.543 1.00 0.00 N ATOM 1044 CA LEU A 70 7.415 0.474 -9.223 1.00 0.00 C ATOM 1045 C LEU A 70 8.174 1.348 -10.225 1.00 0.00 C ATOM 1046 O LEU A 70 8.988 2.182 -9.834 1.00 0.00 O ATOM 1047 CB LEU A 70 7.927 -0.966 -9.153 1.00 0.00 C ATOM 1048 CG LEU A 70 7.348 -1.935 -10.186 1.00 0.00 C ATOM 1049 CD1 LEU A 70 8.386 -2.979 -10.601 1.00 0.00 C ATOM 1050 CD2 LEU A 70 6.060 -2.581 -9.670 1.00 0.00 C ATOM 0 H LEU A 70 5.502 -0.372 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 70 7.588 0.898 -8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.011 -0.951 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.716 -1.358 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 70 7.088 -1.367 -11.079 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.949 -3.655 -11.336 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.251 -2.479 -11.038 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.700 -3.548 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.669 -3.265 -10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.271 -3.132 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.321 -1.806 -9.465 1.00 0.00 H new ATOM 1062 N GLU A 71 7.879 1.125 -11.497 1.00 0.00 N ATOM 1063 CA GLU A 71 8.523 1.881 -12.558 1.00 0.00 C ATOM 1064 C GLU A 71 9.498 2.901 -11.966 1.00 0.00 C ATOM 1065 O GLU A 71 9.194 4.091 -11.900 1.00 0.00 O ATOM 1066 CB GLU A 71 7.485 2.568 -13.448 1.00 0.00 C ATOM 1067 CG GLU A 71 7.018 1.634 -14.566 1.00 0.00 C ATOM 1068 CD GLU A 71 6.285 2.412 -15.661 1.00 0.00 C ATOM 1069 OE1 GLU A 71 5.253 3.031 -15.323 1.00 0.00 O ATOM 1070 OE2 GLU A 71 6.773 2.371 -16.811 1.00 0.00 O ATOM 0 H GLU A 71 7.203 0.432 -11.817 1.00 0.00 H new ATOM 0 HA GLU A 71 9.087 1.188 -13.182 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.630 2.876 -12.845 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.913 3.473 -13.880 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.876 1.117 -14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.359 0.870 -14.155 1.00 0.00 H new ATOM 1077 N GLY A 72 10.651 2.397 -11.550 1.00 0.00 N ATOM 1078 CA GLY A 72 11.673 3.249 -10.966 1.00 0.00 C ATOM 1079 C GLY A 72 12.322 2.575 -9.756 1.00 0.00 C ATOM 1080 O GLY A 72 13.532 2.679 -9.557 1.00 0.00 O ATOM 0 H GLY A 72 10.900 1.409 -11.606 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.434 3.474 -11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.231 4.199 -10.664 1.00 0.00 H new ATOM 1084 N LEU A 73 11.490 1.898 -8.978 1.00 0.00 N ATOM 1085 CA LEU A 73 11.967 1.208 -7.792 1.00 0.00 C ATOM 1086 C LEU A 73 13.307 0.537 -8.103 1.00 0.00 C ATOM 1087 O LEU A 73 13.371 -0.384 -8.916 1.00 0.00 O ATOM 1088 CB LEU A 73 10.903 0.241 -7.270 1.00 0.00 C ATOM 1089 CG LEU A 73 10.222 0.638 -5.958 1.00 0.00 C ATOM 1090 CD1 LEU A 73 8.765 1.039 -6.196 1.00 0.00 C ATOM 1091 CD2 LEU A 73 10.347 -0.476 -4.917 1.00 0.00 C ATOM 0 H LEU A 73 10.488 1.813 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 73 12.144 1.918 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.135 0.129 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.364 -0.737 -7.135 1.00 0.00 H new ATOM 0 HG LEU A 73 10.735 1.512 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.304 1.316 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.728 1.887 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.223 0.199 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.855 -0.169 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.875 -1.382 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.401 -0.672 -4.718 1.00 0.00 H new ATOM 1103 N THR A 74 14.345 1.026 -7.440 1.00 0.00 N ATOM 1104 CA THR A 74 15.679 0.486 -7.635 1.00 0.00 C ATOM 1105 C THR A 74 15.838 -0.832 -6.874 1.00 0.00 C ATOM 1106 O THR A 74 14.862 -1.379 -6.362 1.00 0.00 O ATOM 1107 CB THR A 74 16.689 1.555 -7.213 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.563 1.612 -5.795 1.00 0.00 O ATOM 1109 CG2 THR A 74 16.286 2.956 -7.679 1.00 0.00 C ATOM 0 H THR A 74 14.289 1.791 -6.767 1.00 0.00 H new ATOM 0 HA THR A 74 15.857 0.244 -8.683 1.00 0.00 H new ATOM 0 HB THR A 74 17.671 1.306 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.818 2.504 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.036 3.677 -7.354 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.215 2.971 -8.767 1.00 0.00 H new ATOM 0 HG23 THR A 74 15.320 3.219 -7.249 1.00 0.00 H new ATOM 1117 N GLU A 75 17.075 -1.305 -6.824 1.00 0.00 N ATOM 1118 CA GLU A 75 17.373 -2.548 -6.134 1.00 0.00 C ATOM 1119 C GLU A 75 17.205 -2.371 -4.624 1.00 0.00 C ATOM 1120 O GLU A 75 16.656 -3.243 -3.951 1.00 0.00 O ATOM 1121 CB GLU A 75 18.782 -3.040 -6.475 1.00 0.00 C ATOM 1122 CG GLU A 75 18.728 -4.288 -7.359 1.00 0.00 C ATOM 1123 CD GLU A 75 19.751 -5.329 -6.899 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.956 -5.000 -6.948 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.305 -6.430 -6.510 1.00 0.00 O ATOM 0 H GLU A 75 17.882 -0.850 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 75 16.667 -3.306 -6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.333 -2.251 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.325 -3.264 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.727 -4.718 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.924 -4.013 -8.395 1.00 0.00 H new ATOM 1132 N LYS A 76 17.687 -1.238 -4.136 1.00 0.00 N ATOM 1133 CA LYS A 76 17.596 -0.936 -2.717 1.00 0.00 C ATOM 1134 C LYS A 76 16.146 -1.095 -2.258 1.00 0.00 C ATOM 1135 O LYS A 76 15.873 -1.795 -1.284 1.00 0.00 O ATOM 1136 CB LYS A 76 18.185 0.446 -2.425 1.00 0.00 C ATOM 1137 CG LYS A 76 17.109 1.530 -2.508 1.00 0.00 C ATOM 1138 CD LYS A 76 17.650 2.878 -2.027 1.00 0.00 C ATOM 1139 CE LYS A 76 17.900 3.820 -3.206 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.438 5.114 -2.730 1.00 0.00 N ATOM 0 H LYS A 76 18.142 -0.518 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 76 18.193 -1.641 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.635 0.451 -1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.981 0.664 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.758 1.621 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.250 1.242 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.940 3.334 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.578 2.726 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.602 3.362 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.971 3.984 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.602 5.742 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.755 5.557 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.335 4.954 -2.230 1.00 0.00 H new ATOM 1154 N GLU A 77 15.253 -0.435 -2.981 1.00 0.00 N ATOM 1155 CA GLU A 77 13.837 -0.495 -2.660 1.00 0.00 C ATOM 1156 C GLU A 77 13.250 -1.838 -3.097 1.00 0.00 C ATOM 1157 O GLU A 77 12.461 -2.440 -2.371 1.00 0.00 O ATOM 1158 CB GLU A 77 13.080 0.670 -3.301 1.00 0.00 C ATOM 1159 CG GLU A 77 13.649 1.000 -4.682 1.00 0.00 C ATOM 1160 CD GLU A 77 14.441 2.309 -4.651 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.890 2.674 -3.542 1.00 0.00 O ATOM 1162 OE2 GLU A 77 14.580 2.914 -5.735 1.00 0.00 O ATOM 0 H GLU A 77 15.483 0.144 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 77 13.725 -0.407 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.024 0.417 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.144 1.548 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.295 0.188 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.837 1.079 -5.404 1.00 0.00 H new ATOM 1169 N ILE A 78 13.658 -2.268 -4.283 1.00 0.00 N ATOM 1170 CA ILE A 78 13.182 -3.528 -4.826 1.00 0.00 C ATOM 1171 C ILE A 78 13.391 -4.636 -3.791 1.00 0.00 C ATOM 1172 O ILE A 78 12.652 -5.619 -3.771 1.00 0.00 O ATOM 1173 CB ILE A 78 13.843 -3.814 -6.175 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.147 -3.048 -7.301 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.896 -5.318 -6.452 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.365 -3.999 -8.210 1.00 0.00 C ATOM 0 H ILE A 78 14.313 -1.766 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 78 12.112 -3.476 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 78 14.872 -3.458 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.470 -2.306 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.888 -2.505 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.371 -5.494 -7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.472 -5.812 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.883 -5.721 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.880 -3.429 -9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.048 -4.724 -8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.609 -4.522 -7.625 1.00 0.00 H new ATOM 1188 N ASN A 79 14.401 -4.439 -2.957 1.00 0.00 N ATOM 1189 CA ASN A 79 14.717 -5.409 -1.922 1.00 0.00 C ATOM 1190 C ASN A 79 13.844 -5.141 -0.694 1.00 0.00 C ATOM 1191 O ASN A 79 13.252 -6.063 -0.136 1.00 0.00 O ATOM 1192 CB ASN A 79 16.182 -5.300 -1.493 1.00 0.00 C ATOM 1193 CG ASN A 79 17.070 -6.216 -2.338 1.00 0.00 C ATOM 1194 OD1 ASN A 79 16.737 -7.354 -2.625 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.216 -5.657 -2.719 1.00 0.00 N ATOM 0 H ASN A 79 15.011 -3.622 -2.977 1.00 0.00 H new ATOM 0 HA ASN A 79 14.532 -6.405 -2.326 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.518 -4.268 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.277 -5.565 -0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.878 -6.186 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.433 -4.699 -2.444 1.00 0.00 H new ATOM 1202 N THR A 80 13.792 -3.874 -0.310 1.00 0.00 N ATOM 1203 CA THR A 80 13.002 -3.473 0.841 1.00 0.00 C ATOM 1204 C THR A 80 11.512 -3.471 0.491 1.00 0.00 C ATOM 1205 O THR A 80 10.693 -3.998 1.242 1.00 0.00 O ATOM 1206 CB THR A 80 13.516 -2.114 1.318 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.813 -2.396 1.837 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.739 -1.584 2.525 1.00 0.00 C ATOM 0 H THR A 80 14.284 -3.112 -0.776 1.00 0.00 H new ATOM 0 HA THR A 80 13.110 -4.183 1.661 1.00 0.00 H new ATOM 0 HB THR A 80 13.452 -1.395 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.220 -1.568 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.145 -0.617 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.688 -1.470 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.830 -2.286 3.353 1.00 0.00 H new ATOM 1216 N LEU A 81 11.207 -2.872 -0.651 1.00 0.00 N ATOM 1217 CA LEU A 81 9.831 -2.794 -1.111 1.00 0.00 C ATOM 1218 C LEU A 81 9.244 -4.204 -1.193 1.00 0.00 C ATOM 1219 O LEU A 81 8.202 -4.483 -0.602 1.00 0.00 O ATOM 1220 CB LEU A 81 9.748 -2.016 -2.425 1.00 0.00 C ATOM 1221 CG LEU A 81 8.476 -2.224 -3.250 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.648 -3.377 -4.241 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.261 -2.426 -2.342 1.00 0.00 C ATOM 0 H LEU A 81 11.889 -2.436 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 81 9.223 -2.236 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.842 -0.953 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.605 -2.289 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 81 8.296 -1.321 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.730 -3.504 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.472 -3.154 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.865 -4.296 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.370 -2.572 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.418 -3.303 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.128 -1.547 -1.711 1.00 0.00 H new ATOM 1235 N ASN A 82 9.939 -5.057 -1.931 1.00 0.00 N ATOM 1236 CA ASN A 82 9.500 -6.432 -2.098 1.00 0.00 C ATOM 1237 C ASN A 82 9.276 -7.063 -0.722 1.00 0.00 C ATOM 1238 O ASN A 82 8.340 -7.839 -0.536 1.00 0.00 O ATOM 1239 CB ASN A 82 10.556 -7.262 -2.832 1.00 0.00 C ATOM 1240 CG ASN A 82 10.369 -7.171 -4.348 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.419 -5.931 -4.825 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 10.191 -8.161 -5.038 1.00 0.00 N flip ATOM 0 H ASN A 82 10.803 -4.823 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 82 8.579 -6.423 -2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.552 -6.910 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.490 -8.303 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.164 -9.085 -4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.070 -8.065 -6.046 1.00 0.00 H new ATOM 1249 N ASP A 83 10.150 -6.705 0.207 1.00 0.00 N ATOM 1250 CA ASP A 83 10.059 -7.226 1.560 1.00 0.00 C ATOM 1251 C ASP A 83 8.852 -6.601 2.263 1.00 0.00 C ATOM 1252 O ASP A 83 8.196 -7.252 3.074 1.00 0.00 O ATOM 1253 CB ASP A 83 11.310 -6.878 2.370 1.00 0.00 C ATOM 1254 CG ASP A 83 11.836 -8.002 3.264 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.240 -9.039 2.694 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.821 -7.800 4.497 1.00 0.00 O ATOM 0 H ASP A 83 10.925 -6.060 0.049 1.00 0.00 H new ATOM 0 HA ASP A 83 9.960 -8.310 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.101 -6.583 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.091 -6.011 2.993 1.00 0.00 H new ATOM 1261 N TRP A 84 8.597 -5.345 1.925 1.00 0.00 N ATOM 1262 CA TRP A 84 7.480 -4.625 2.513 1.00 0.00 C ATOM 1263 C TRP A 84 6.192 -5.362 2.139 1.00 0.00 C ATOM 1264 O TRP A 84 5.274 -5.466 2.952 1.00 0.00 O ATOM 1265 CB TRP A 84 7.480 -3.160 2.073 1.00 0.00 C ATOM 1266 CG TRP A 84 8.112 -2.205 3.088 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.227 -1.474 2.950 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.618 -1.905 4.410 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.486 -0.729 4.082 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.476 -0.999 4.998 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.482 -2.384 5.087 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.290 -0.494 6.290 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.310 -1.869 6.378 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.166 -0.957 6.984 1.00 0.00 C ATOM 0 H TRP A 84 9.144 -4.808 1.252 1.00 0.00 H new ATOM 0 HA TRP A 84 7.565 -4.603 3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.016 -3.075 1.128 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.453 -2.847 1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.845 -1.469 2.064 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.274 -0.096 4.221 1.00 0.00 H new ATOM 0 HE3 TRP A 84 5.797 -3.093 4.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 8.977 0.215 6.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.452 -2.204 6.942 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.965 -0.607 7.986 1.00 0.00 H new ATOM 1285 N GLU A 85 6.166 -5.854 0.910 1.00 0.00 N ATOM 1286 CA GLU A 85 5.006 -6.578 0.418 1.00 0.00 C ATOM 1287 C GLU A 85 4.853 -7.905 1.165 1.00 0.00 C ATOM 1288 O GLU A 85 3.759 -8.246 1.613 1.00 0.00 O ATOM 1289 CB GLU A 85 5.101 -6.806 -1.092 1.00 0.00 C ATOM 1290 CG GLU A 85 4.621 -8.210 -1.465 1.00 0.00 C ATOM 1291 CD GLU A 85 4.694 -8.430 -2.978 1.00 0.00 C ATOM 1292 OE1 GLU A 85 3.774 -7.938 -3.667 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.667 -9.085 -3.410 1.00 0.00 O ATOM 0 H GLU A 85 6.930 -5.766 0.240 1.00 0.00 H new ATOM 0 HA GLU A 85 4.118 -5.974 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.500 -6.062 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.132 -6.671 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.233 -8.955 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.596 -8.351 -1.122 1.00 0.00 H new ATOM 1300 N THR A 86 5.965 -8.617 1.275 1.00 0.00 N ATOM 1301 CA THR A 86 5.968 -9.898 1.960 1.00 0.00 C ATOM 1302 C THR A 86 5.606 -9.716 3.435 1.00 0.00 C ATOM 1303 O THR A 86 4.968 -10.581 4.033 1.00 0.00 O ATOM 1304 CB THR A 86 7.337 -10.545 1.746 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.223 -11.190 0.480 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.603 -11.691 2.724 1.00 0.00 C ATOM 0 H THR A 86 6.870 -8.331 0.901 1.00 0.00 H new ATOM 0 HA THR A 86 5.209 -10.566 1.552 1.00 0.00 H new ATOM 0 HB THR A 86 8.115 -9.789 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.069 -11.634 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.588 -12.115 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.567 -11.313 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.844 -12.463 2.596 1.00 0.00 H new ATOM 1314 N LYS A 87 6.028 -8.584 3.979 1.00 0.00 N ATOM 1315 CA LYS A 87 5.757 -8.277 5.373 1.00 0.00 C ATOM 1316 C LYS A 87 4.281 -7.904 5.531 1.00 0.00 C ATOM 1317 O LYS A 87 3.641 -8.288 6.509 1.00 0.00 O ATOM 1318 CB LYS A 87 6.720 -7.203 5.883 1.00 0.00 C ATOM 1319 CG LYS A 87 8.172 -7.674 5.777 1.00 0.00 C ATOM 1320 CD LYS A 87 9.123 -6.487 5.611 1.00 0.00 C ATOM 1321 CE LYS A 87 10.233 -6.522 6.663 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.969 -5.238 6.683 1.00 0.00 N ATOM 0 H LYS A 87 6.556 -7.868 3.479 1.00 0.00 H new ATOM 0 HA LYS A 87 5.934 -9.153 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.588 -6.287 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.487 -6.963 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.441 -8.238 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.278 -8.350 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.562 -6.505 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.565 -5.555 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.804 -6.718 7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.921 -7.339 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.719 -5.279 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.394 -5.067 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.312 -4.465 6.911 1.00 0.00 H new ATOM 1336 N PHE A 88 3.784 -7.160 4.554 1.00 0.00 N ATOM 1337 CA PHE A 88 2.396 -6.731 4.572 1.00 0.00 C ATOM 1338 C PHE A 88 1.461 -7.882 4.195 1.00 0.00 C ATOM 1339 O PHE A 88 0.419 -8.071 4.821 1.00 0.00 O ATOM 1340 CB PHE A 88 2.258 -5.617 3.532 1.00 0.00 C ATOM 1341 CG PHE A 88 2.229 -4.209 4.129 1.00 0.00 C ATOM 1342 CD1 PHE A 88 2.947 -3.930 5.250 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.486 -3.235 3.538 1.00 0.00 C ATOM 1344 CE1 PHE A 88 2.920 -2.623 5.804 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.458 -1.928 4.092 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.176 -1.650 5.213 1.00 0.00 C ATOM 0 H PHE A 88 4.318 -6.843 3.745 1.00 0.00 H new ATOM 0 HA PHE A 88 2.125 -6.391 5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.088 -5.685 2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.343 -5.778 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.538 -4.703 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.917 -3.456 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.490 -2.402 6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.867 -1.155 3.623 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.155 -0.656 5.634 1.00 0.00 H new ATOM 1356 N GLU A 89 1.868 -8.622 3.174 1.00 0.00 N ATOM 1357 CA GLU A 89 1.080 -9.750 2.706 1.00 0.00 C ATOM 1358 C GLU A 89 1.153 -10.901 3.711 1.00 0.00 C ATOM 1359 O GLU A 89 0.305 -11.792 3.702 1.00 0.00 O ATOM 1360 CB GLU A 89 1.540 -10.203 1.319 1.00 0.00 C ATOM 1361 CG GLU A 89 2.705 -11.190 1.423 1.00 0.00 C ATOM 1362 CD GLU A 89 2.219 -12.631 1.247 1.00 0.00 C ATOM 1363 OE1 GLU A 89 1.747 -12.938 0.131 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.331 -13.392 2.232 1.00 0.00 O ATOM 0 H GLU A 89 2.733 -8.463 2.658 1.00 0.00 H new ATOM 0 HA GLU A 89 0.041 -9.432 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.709 -10.670 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.844 -9.337 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.452 -10.959 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.192 -11.082 2.392 1.00 0.00 H new ATOM 1371 N ALA A 90 2.175 -10.846 4.553 1.00 0.00 N ATOM 1372 CA ALA A 90 2.369 -11.873 5.562 1.00 0.00 C ATOM 1373 C ALA A 90 1.642 -11.466 6.845 1.00 0.00 C ATOM 1374 O ALA A 90 1.517 -12.265 7.773 1.00 0.00 O ATOM 1375 CB ALA A 90 3.867 -12.092 5.786 1.00 0.00 C ATOM 0 H ALA A 90 2.877 -10.106 4.557 1.00 0.00 H new ATOM 0 HA ALA A 90 1.946 -12.821 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.013 -12.863 6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.332 -12.408 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.324 -11.162 6.122 1.00 0.00 H new ATOM 1381 N LYS A 91 1.180 -10.224 6.857 1.00 0.00 N ATOM 1382 CA LYS A 91 0.468 -9.702 8.011 1.00 0.00 C ATOM 1383 C LYS A 91 -0.912 -9.208 7.572 1.00 0.00 C ATOM 1384 O LYS A 91 -1.929 -9.809 7.916 1.00 0.00 O ATOM 1385 CB LYS A 91 1.306 -8.636 8.719 1.00 0.00 C ATOM 1386 CG LYS A 91 2.176 -9.259 9.812 1.00 0.00 C ATOM 1387 CD LYS A 91 1.889 -8.621 11.173 1.00 0.00 C ATOM 1388 CE LYS A 91 0.906 -9.471 11.980 1.00 0.00 C ATOM 1389 NZ LYS A 91 -0.266 -8.663 12.386 1.00 0.00 N ATOM 0 H LYS A 91 1.285 -9.564 6.086 1.00 0.00 H new ATOM 0 HA LYS A 91 0.306 -10.489 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.938 -8.124 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.650 -7.884 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.989 -10.332 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.229 -9.130 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.820 -8.508 11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.479 -7.621 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.579 -10.323 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.403 -9.872 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.923 -9.255 12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.049 -7.864 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.749 -8.302 11.539 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.904 -8.117 6.820 1.00 0.00 N ATOM 1404 CA TYR A 92 -2.143 -7.536 6.331 1.00 0.00 C ATOM 1405 C TYR A 92 -2.821 -8.462 5.319 1.00 0.00 C ATOM 1406 O TYR A 92 -2.155 -9.058 4.474 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.749 -6.234 5.629 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.363 -5.104 6.586 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -2.051 -4.937 7.770 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.326 -4.252 6.264 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.688 -3.873 8.670 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.038 -3.189 7.164 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.661 -3.052 8.322 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.318 -2.047 9.172 1.00 0.00 O ATOM 0 H TYR A 92 -0.059 -7.620 6.537 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.842 -7.374 7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.911 -6.433 4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.581 -5.902 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.862 -5.604 8.022 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.212 -4.383 5.337 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.219 -3.730 9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.848 -2.516 6.925 1.00 0.00 H new ATOM 0 HH TYR A 92 0.432 -1.542 8.795 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.172 -8.556 5.442 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.948 -9.399 4.549 1.00 0.00 C ATOM 1426 C PRO A 93 -5.084 -8.755 3.168 1.00 0.00 C ATOM 1427 O PRO A 93 -5.283 -7.546 3.059 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.283 -9.590 5.249 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.377 -8.477 6.280 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.994 -7.865 6.432 1.00 0.00 C ATOM 0 HA PRO A 93 -4.472 -10.361 4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.108 -9.535 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.338 -10.569 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.096 -7.722 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.728 -8.869 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.014 -6.791 6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.605 -8.010 7.440 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.971 -9.592 2.146 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.079 -9.119 0.777 1.00 0.00 C ATOM 1440 C VAL A 94 -6.534 -9.229 0.317 1.00 0.00 C ATOM 1441 O VAL A 94 -7.044 -10.330 0.114 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.109 -9.890 -0.121 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.100 -9.316 -1.539 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.700 -9.899 0.476 1.00 0.00 C ATOM 0 H VAL A 94 -4.806 -10.594 2.239 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.796 -8.068 0.713 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.455 -10.922 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.402 -9.882 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.101 -9.385 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.790 -8.271 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.030 -10.453 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.342 -8.875 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.723 -10.376 1.456 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.163 -8.072 0.166 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.549 -8.025 -0.266 1.00 0.00 C ATOM 1456 C VAL A 95 -8.602 -8.001 -1.795 1.00 0.00 C ATOM 1457 O VAL A 95 -9.679 -8.082 -2.384 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.256 -6.829 0.375 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.205 -6.916 1.902 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.660 -5.509 -0.119 1.00 0.00 C ATOM 0 H VAL A 95 -6.738 -7.160 0.335 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.082 -8.917 0.064 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.303 -6.858 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.714 -6.054 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.698 -7.831 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.166 -6.925 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.181 -4.676 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.602 -5.468 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.772 -5.442 -1.201 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.426 -7.888 -2.394 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.324 -7.853 -3.843 1.00 0.00 C ATOM 1472 C GLY A 96 -5.974 -7.284 -4.285 1.00 0.00 C ATOM 1473 O GLY A 96 -5.122 -6.981 -3.451 1.00 0.00 O ATOM 0 H GLY A 96 -6.535 -7.819 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.447 -8.859 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.131 -7.245 -4.253 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.821 -7.157 -5.595 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.590 -6.630 -6.157 1.00 0.00 C ATOM 1479 C ARG A 97 -4.893 -5.468 -7.104 1.00 0.00 C ATOM 1480 O ARG A 97 -5.734 -5.590 -7.993 1.00 0.00 O ATOM 1481 CB ARG A 97 -3.824 -7.714 -6.919 1.00 0.00 C ATOM 1482 CG ARG A 97 -3.969 -7.527 -8.430 1.00 0.00 C ATOM 1483 CD ARG A 97 -5.388 -7.864 -8.891 1.00 0.00 C ATOM 1484 NE ARG A 97 -5.393 -9.159 -9.608 1.00 0.00 N ATOM 1485 CZ ARG A 97 -4.816 -9.359 -10.801 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -4.185 -8.351 -11.418 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -4.871 -10.568 -11.377 1.00 0.00 N ATOM 0 H ARG A 97 -6.530 -7.410 -6.283 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.973 -6.278 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.770 -7.681 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.197 -8.697 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.731 -6.497 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.253 -8.164 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.057 -7.912 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.764 -7.076 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.865 -9.948 -9.167 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.144 -7.431 -10.980 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.746 -8.504 -12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.352 -11.335 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.432 -10.721 -12.285 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.191 -4.366 -6.882 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.375 -3.183 -7.705 1.00 0.00 C ATOM 1503 C VAL A 98 -4.421 -3.594 -9.178 1.00 0.00 C ATOM 1504 O VAL A 98 -3.811 -4.588 -9.568 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.277 -2.160 -7.404 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.230 -1.074 -8.480 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.464 -1.549 -6.014 1.00 0.00 C ATOM 0 H VAL A 98 -3.494 -4.268 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.324 -2.700 -7.472 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.320 -2.682 -7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.441 -0.360 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.026 -1.530 -9.449 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.189 -0.557 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.671 -0.826 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.431 -1.049 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.423 -2.337 -5.262 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.150 -2.807 -9.956 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.284 -3.077 -11.378 1.00 0.00 C ATOM 1519 C VAL A 99 -5.543 -1.764 -12.119 1.00 0.00 C ATOM 1520 O VAL A 99 -4.909 -1.485 -13.135 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.377 -4.121 -11.612 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.533 -3.533 -12.424 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -5.808 -5.368 -12.292 1.00 0.00 C ATOM 0 H VAL A 99 -5.654 -1.983 -9.629 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.361 -3.499 -11.776 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.769 -4.419 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.296 -4.296 -12.576 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.965 -2.690 -11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.162 -3.193 -13.391 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.606 -6.094 -12.447 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.376 -5.093 -13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.036 -5.807 -11.660 1.00 0.00 H new ATOM 1533 N SER A 100 -6.476 -0.992 -11.581 1.00 0.00 N ATOM 1534 CA SER A 100 -6.827 0.285 -12.179 1.00 0.00 C ATOM 1535 C SER A 100 -7.517 0.061 -13.526 1.00 0.00 C ATOM 1536 O SER A 100 -8.184 0.956 -14.043 1.00 0.00 O ATOM 1537 CB SER A 100 -5.590 1.168 -12.358 1.00 0.00 C ATOM 1538 OG SER A 100 -5.482 2.149 -11.330 1.00 0.00 O ATOM 0 H SER A 100 -7.000 -1.226 -10.738 1.00 0.00 H new ATOM 0 HA SER A 100 -7.514 0.799 -11.507 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.696 0.544 -12.359 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.635 1.663 -13.328 1.00 0.00 H new ATOM 0 HG SER A 100 -4.679 2.691 -11.478 1.00 0.00 H new TER 1544 SER A 100