USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 793 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 64 THR OG1 : rot 150:sc= 0.578 USER MOD Set 1.2: A 98 GLN : amide:sc= -0.671 K(o=-0.094,f=-0.88) USER MOD Set 2.1: A 45 ASN : amide:sc= 0.33 K(o=0.64,f=-0.014) USER MOD Set 2.2: A 47 SER OG : rot -169:sc= 0.315 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0167 (180deg=-0.254) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 79:sc= 0.0838 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -47:sc= -0.372 USER MOD Single : A 35 ASN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 48 LYS NZ :NH3+ -167:sc=-0.000847 (180deg=-0.163) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.903 F(o=-1.5,f=-0.9) USER MOD Single : A 54 GLN : amide:sc= -0.097 K(o=-0.097,f=-0.61) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -1.42 F(o=-2.7!,f=-1.4) USER MOD Single : A 59 GLN : amide:sc= -1.26! C(o=-1.3!,f=-5.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.67 K(o=0.67,f=-5.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 150:sc=-0.00712 USER MOD Single : A 83 SER OG : rot -134:sc= 1.12 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 96 THR OG1 : rot -55:sc= 1.3 USER MOD Single : A 97 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.064) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 141:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.554 -19.225 -8.589 1.00 1.00 N ATOM 2 CA MET A 1 1.067 -19.299 -9.974 1.00 1.00 C ATOM 3 C MET A 1 2.346 -18.551 -10.144 1.00 1.00 C ATOM 4 O MET A 1 2.417 -17.346 -9.906 1.00 1.00 O ATOM 5 CB MET A 1 0.000 -18.800 -10.964 1.00 1.00 C ATOM 6 CG MET A 1 -1.333 -19.541 -10.842 1.00 1.00 C ATOM 7 SD MET A 1 -2.546 -19.102 -12.123 1.00 1.00 S ATOM 8 CE MET A 1 -3.880 -20.050 -11.335 1.00 1.00 C ATOM 0 H1 MET A 1 -0.179 -19.950 -8.451 1.00 1.00 H new ATOM 0 H2 MET A 1 1.334 -19.390 -7.921 1.00 1.00 H new ATOM 0 H3 MET A 1 0.146 -18.283 -8.420 1.00 1.00 H new ATOM 0 HA MET A 1 1.285 -20.345 -10.188 1.00 1.00 H new ATOM 0 HB2 MET A 1 -0.168 -17.735 -10.800 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.378 -18.911 -11.981 1.00 1.00 H new ATOM 0 HG2 MET A 1 -1.145 -20.614 -10.887 1.00 1.00 H new ATOM 0 HG3 MET A 1 -1.764 -19.333 -9.862 1.00 1.00 H new ATOM 0 HE1 MET A 1 -4.790 -19.960 -11.928 1.00 1.00 H new ATOM 0 HE2 MET A 1 -3.591 -21.099 -11.270 1.00 1.00 H new ATOM 0 HE3 MET A 1 -4.060 -19.661 -10.333 1.00 1.00 H new ATOM 17 N ASN A 2 3.423 -19.236 -10.567 1.00 1.00 N ATOM 18 CA ASN A 2 4.699 -18.700 -10.926 1.00 1.00 C ATOM 19 C ASN A 2 5.337 -17.753 -9.968 1.00 1.00 C ATOM 20 O ASN A 2 5.244 -16.536 -10.116 1.00 1.00 O ATOM 21 CB ASN A 2 4.706 -18.121 -12.351 1.00 1.00 C ATOM 22 CG ASN A 2 4.185 -19.173 -13.319 1.00 1.00 C ATOM 23 OD1 ASN A 2 4.817 -20.205 -13.542 1.00 1.00 O ATOM 24 ND2 ASN A 2 2.977 -18.938 -13.900 1.00 1.00 N ATOM 0 H ASN A 2 3.397 -20.251 -10.666 1.00 1.00 H new ATOM 0 HA ASN A 2 5.336 -19.583 -10.881 1.00 1.00 H new ATOM 0 HB2 ASN A 2 4.084 -17.227 -12.397 1.00 1.00 H new ATOM 0 HB3 ASN A 2 5.716 -17.821 -12.630 1.00 1.00 H new ATOM 0 HD21 ASN A 2 2.575 -19.626 -14.537 1.00 1.00 H new ATOM 0 HD22 ASN A 2 2.473 -18.074 -13.698 1.00 1.00 H new ATOM 31 N ASP A 3 6.035 -18.277 -8.944 1.00 1.00 N ATOM 32 CA ASP A 3 6.686 -17.539 -7.906 1.00 1.00 C ATOM 33 C ASP A 3 7.667 -16.543 -8.421 1.00 1.00 C ATOM 34 O ASP A 3 7.637 -15.373 -8.044 1.00 1.00 O ATOM 35 CB ASP A 3 7.348 -18.519 -6.923 1.00 1.00 C ATOM 36 CG ASP A 3 8.105 -17.827 -5.800 1.00 1.00 C ATOM 37 OD1 ASP A 3 7.465 -17.291 -4.854 1.00 1.00 O ATOM 38 OD2 ASP A 3 9.362 -17.811 -5.875 1.00 1.00 O ATOM 0 H ASP A 3 6.152 -19.284 -8.835 1.00 1.00 H new ATOM 0 HA ASP A 3 5.925 -16.957 -7.387 1.00 1.00 H new ATOM 0 HB2 ASP A 3 6.582 -19.163 -6.492 1.00 1.00 H new ATOM 0 HB3 ASP A 3 8.035 -19.164 -7.471 1.00 1.00 H new ATOM 43 N SER A 4 8.569 -16.956 -9.329 1.00 1.00 N ATOM 44 CA SER A 4 9.576 -16.128 -9.916 1.00 1.00 C ATOM 45 C SER A 4 9.053 -14.942 -10.651 1.00 1.00 C ATOM 46 O SER A 4 9.613 -13.850 -10.568 1.00 1.00 O ATOM 47 CB SER A 4 10.448 -16.936 -10.892 1.00 1.00 C ATOM 48 OG SER A 4 10.894 -18.135 -10.275 1.00 1.00 O ATOM 0 H SER A 4 8.597 -17.917 -9.671 1.00 1.00 H new ATOM 0 HA SER A 4 10.154 -15.763 -9.067 1.00 1.00 H new ATOM 0 HB2 SER A 4 9.878 -17.171 -11.791 1.00 1.00 H new ATOM 0 HB3 SER A 4 11.305 -16.339 -11.205 1.00 1.00 H new ATOM 0 HG SER A 4 11.447 -18.642 -10.906 1.00 1.00 H new ATOM 54 N GLU A 5 7.924 -15.117 -11.360 1.00 1.00 N ATOM 55 CA GLU A 5 7.227 -14.084 -12.063 1.00 1.00 C ATOM 56 C GLU A 5 6.621 -13.090 -11.133 1.00 1.00 C ATOM 57 O GLU A 5 6.938 -11.904 -11.214 1.00 1.00 O ATOM 58 CB GLU A 5 6.177 -14.679 -13.015 1.00 1.00 C ATOM 59 CG GLU A 5 5.566 -13.652 -13.970 1.00 1.00 C ATOM 60 CD GLU A 5 4.785 -14.298 -15.105 1.00 1.00 C ATOM 61 OE1 GLU A 5 5.371 -15.156 -15.818 1.00 1.00 O ATOM 62 OE2 GLU A 5 3.612 -13.910 -15.355 1.00 1.00 O ATOM 0 H GLU A 5 7.473 -16.028 -11.448 1.00 1.00 H new ATOM 0 HA GLU A 5 7.959 -13.547 -12.666 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.638 -15.476 -13.598 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.381 -15.134 -12.426 1.00 1.00 H new ATOM 0 HG2 GLU A 5 4.905 -12.990 -13.411 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.360 -13.032 -14.387 1.00 1.00 H new ATOM 69 N PHE A 6 5.802 -13.542 -10.165 1.00 1.00 N ATOM 70 CA PHE A 6 5.291 -12.774 -9.071 1.00 1.00 C ATOM 71 C PHE A 6 6.332 -12.000 -8.337 1.00 1.00 C ATOM 72 O PHE A 6 6.183 -10.799 -8.115 1.00 1.00 O ATOM 73 CB PHE A 6 4.540 -13.736 -8.136 1.00 1.00 C ATOM 74 CG PHE A 6 3.654 -13.156 -7.090 1.00 1.00 C ATOM 75 CD1 PHE A 6 3.396 -11.817 -6.911 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.002 -14.064 -6.288 1.00 1.00 C ATOM 77 CE1 PHE A 6 2.513 -11.385 -5.950 1.00 1.00 C ATOM 78 CE2 PHE A 6 2.087 -13.647 -5.350 1.00 1.00 C ATOM 79 CZ PHE A 6 1.845 -12.305 -5.176 1.00 1.00 C ATOM 0 H PHE A 6 5.476 -14.508 -10.146 1.00 1.00 H new ATOM 0 HA PHE A 6 4.620 -12.013 -9.469 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.934 -14.397 -8.756 1.00 1.00 H new ATOM 0 HB3 PHE A 6 5.281 -14.359 -7.636 1.00 1.00 H new ATOM 0 HD1 PHE A 6 3.896 -11.092 -7.536 1.00 1.00 H new ATOM 0 HD2 PHE A 6 3.212 -15.118 -6.397 1.00 1.00 H new ATOM 0 HE1 PHE A 6 2.345 -10.328 -5.803 1.00 1.00 H new ATOM 0 HE2 PHE A 6 1.559 -14.373 -4.750 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.133 -11.974 -4.434 1.00 1.00 H new ATOM 89 N HIS A 7 7.466 -12.620 -7.971 1.00 1.00 N ATOM 90 CA HIS A 7 8.600 -11.982 -7.375 1.00 1.00 C ATOM 91 C HIS A 7 9.173 -10.871 -8.186 1.00 1.00 C ATOM 92 O HIS A 7 9.381 -9.781 -7.656 1.00 1.00 O ATOM 93 CB HIS A 7 9.678 -13.028 -7.046 1.00 1.00 C ATOM 94 CG HIS A 7 11.121 -12.641 -7.174 1.00 1.00 C ATOM 95 ND1 HIS A 7 11.761 -11.693 -6.421 1.00 1.00 N ATOM 96 CD2 HIS A 7 12.017 -13.078 -8.099 1.00 1.00 C ATOM 97 CE1 HIS A 7 12.999 -11.567 -6.861 1.00 1.00 C ATOM 98 NE2 HIS A 7 13.176 -12.380 -7.885 1.00 1.00 N ATOM 0 H HIS A 7 7.600 -13.623 -8.098 1.00 1.00 H new ATOM 0 HA HIS A 7 8.240 -11.515 -6.458 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.515 -13.359 -6.021 1.00 1.00 H new ATOM 0 HB3 HIS A 7 9.509 -13.891 -7.691 1.00 1.00 H new ATOM 0 HD2 HIS A 7 11.848 -13.830 -8.856 1.00 1.00 H new ATOM 0 HE1 HIS A 7 13.747 -10.905 -6.449 1.00 1.00 H new ATOM 0 HE2 HIS A 7 14.034 -12.473 -8.428 1.00 1.00 H new ATOM 106 N ARG A 8 9.451 -11.076 -9.486 1.00 1.00 N ATOM 107 CA ARG A 8 10.014 -10.067 -10.330 1.00 1.00 C ATOM 108 C ARG A 8 9.123 -8.882 -10.470 1.00 1.00 C ATOM 109 O ARG A 8 9.553 -7.744 -10.289 1.00 1.00 O ATOM 110 CB ARG A 8 10.347 -10.602 -11.732 1.00 1.00 C ATOM 111 CG ARG A 8 11.350 -9.711 -12.466 1.00 1.00 C ATOM 112 CD ARG A 8 11.418 -9.872 -13.986 1.00 1.00 C ATOM 113 NE ARG A 8 11.869 -11.248 -14.338 1.00 1.00 N ATOM 114 CZ ARG A 8 13.150 -11.549 -14.702 1.00 1.00 C ATOM 115 NH1 ARG A 8 14.228 -10.840 -14.259 1.00 1.00 N ATOM 116 NH2 ARG A 8 13.355 -12.609 -15.537 1.00 1.00 N ATOM 0 H ARG A 8 9.281 -11.962 -9.962 1.00 1.00 H new ATOM 0 HA ARG A 8 10.936 -9.761 -9.835 1.00 1.00 H new ATOM 0 HB2 ARG A 8 10.753 -11.610 -11.648 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.431 -10.675 -12.318 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.110 -8.671 -12.243 1.00 1.00 H new ATOM 0 HG3 ARG A 8 12.342 -9.904 -12.057 1.00 1.00 H new ATOM 0 HD2 ARG A 8 10.438 -9.679 -14.424 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.105 -9.138 -14.406 1.00 1.00 H new ATOM 0 HE ARG A 8 11.185 -12.004 -14.305 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.094 -10.049 -13.629 1.00 1.00 H new ATOM 0 HH12 ARG A 8 15.168 -11.101 -14.557 1.00 1.00 H new ATOM 0 HH21 ARG A 8 12.561 -13.154 -15.873 1.00 1.00 H new ATOM 0 HH22 ARG A 8 14.302 -12.856 -15.825 1.00 1.00 H new ATOM 130 N LEU A 9 7.833 -9.140 -10.748 1.00 1.00 N ATOM 131 CA LEU A 9 6.766 -8.190 -10.794 1.00 1.00 C ATOM 132 C LEU A 9 6.649 -7.414 -9.527 1.00 1.00 C ATOM 133 O LEU A 9 6.757 -6.190 -9.539 1.00 1.00 O ATOM 134 CB LEU A 9 5.431 -8.884 -11.118 1.00 1.00 C ATOM 135 CG LEU A 9 5.311 -9.424 -12.554 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.024 -10.254 -12.689 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.335 -8.308 -13.612 1.00 1.00 C ATOM 0 H LEU A 9 7.513 -10.086 -10.956 1.00 1.00 H new ATOM 0 HA LEU A 9 7.002 -7.485 -11.591 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.290 -9.711 -10.422 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.620 -8.178 -10.942 1.00 1.00 H new ATOM 0 HG LEU A 9 6.182 -10.053 -12.738 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.942 -10.635 -13.707 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.055 -11.090 -11.990 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.161 -9.626 -12.466 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.247 -8.747 -14.606 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.501 -7.627 -13.441 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.273 -7.758 -13.540 1.00 1.00 H new ATOM 149 N ALA A 10 6.463 -8.073 -8.369 1.00 1.00 N ATOM 150 CA ALA A 10 6.359 -7.449 -7.088 1.00 1.00 C ATOM 151 C ALA A 10 7.494 -6.540 -6.762 1.00 1.00 C ATOM 152 O ALA A 10 7.272 -5.397 -6.364 1.00 1.00 O ATOM 153 CB ALA A 10 6.193 -8.503 -5.981 1.00 1.00 C ATOM 0 H ALA A 10 6.381 -9.089 -8.325 1.00 1.00 H new ATOM 0 HA ALA A 10 5.469 -6.822 -7.140 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.116 -8.006 -5.014 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.289 -9.083 -6.164 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.057 -9.168 -5.979 1.00 1.00 H new ATOM 159 N ASP A 11 8.751 -6.972 -6.968 1.00 1.00 N ATOM 160 CA ASP A 11 9.921 -6.187 -6.722 1.00 1.00 C ATOM 161 C ASP A 11 10.005 -4.951 -7.550 1.00 1.00 C ATOM 162 O ASP A 11 10.373 -3.890 -7.048 1.00 1.00 O ATOM 163 CB ASP A 11 11.164 -7.071 -6.920 1.00 1.00 C ATOM 164 CG ASP A 11 12.259 -6.759 -5.909 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.025 -6.935 -4.685 1.00 1.00 O ATOM 166 OD2 ASP A 11 13.385 -6.388 -6.335 1.00 1.00 O ATOM 0 H ASP A 11 8.961 -7.906 -7.320 1.00 1.00 H new ATOM 0 HA ASP A 11 9.865 -5.833 -5.692 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.880 -8.120 -6.833 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.552 -6.929 -7.929 1.00 1.00 H new ATOM 171 N GLN A 12 9.640 -5.013 -8.843 1.00 1.00 N ATOM 172 CA GLN A 12 9.602 -3.851 -9.675 1.00 1.00 C ATOM 173 C GLN A 12 8.488 -2.905 -9.379 1.00 1.00 C ATOM 174 O GLN A 12 8.698 -1.695 -9.386 1.00 1.00 O ATOM 175 CB GLN A 12 9.704 -4.111 -11.187 1.00 1.00 C ATOM 176 CG GLN A 12 8.494 -4.765 -11.858 1.00 1.00 C ATOM 177 CD GLN A 12 8.667 -4.889 -13.365 1.00 1.00 C ATOM 178 OE1 GLN A 12 8.718 -5.979 -13.932 1.00 1.00 O ATOM 179 NE2 GLN A 12 8.738 -3.724 -14.065 1.00 1.00 N ATOM 0 H GLN A 12 9.369 -5.876 -9.315 1.00 1.00 H new ATOM 0 HA GLN A 12 10.530 -3.358 -9.387 1.00 1.00 H new ATOM 0 HB2 GLN A 12 9.894 -3.159 -11.683 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.574 -4.743 -11.365 1.00 1.00 H new ATOM 0 HG2 GLN A 12 8.335 -5.755 -11.430 1.00 1.00 H new ATOM 0 HG3 GLN A 12 7.601 -4.178 -11.644 1.00 1.00 H new ATOM 0 HE21 GLN A 12 8.694 -2.831 -13.574 1.00 1.00 H new ATOM 0 HE22 GLN A 12 8.835 -3.744 -15.080 1.00 1.00 H new ATOM 188 N LEU A 13 7.273 -3.379 -9.047 1.00 1.00 N ATOM 189 CA LEU A 13 6.166 -2.571 -8.639 1.00 1.00 C ATOM 190 C LEU A 13 6.473 -1.833 -7.381 1.00 1.00 C ATOM 191 O LEU A 13 6.327 -0.613 -7.308 1.00 1.00 O ATOM 192 CB LEU A 13 4.955 -3.472 -8.340 1.00 1.00 C ATOM 193 CG LEU A 13 4.360 -4.145 -9.587 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.365 -5.252 -9.203 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.715 -3.156 -10.572 1.00 1.00 C ATOM 0 H LEU A 13 7.053 -4.375 -9.064 1.00 1.00 H new ATOM 0 HA LEU A 13 5.959 -1.868 -9.446 1.00 1.00 H new ATOM 0 HB2 LEU A 13 5.254 -4.243 -7.630 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.181 -2.876 -7.856 1.00 1.00 H new ATOM 0 HG LEU A 13 5.205 -4.594 -10.110 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.962 -5.708 -10.107 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.876 -6.011 -8.610 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.551 -4.823 -8.619 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.317 -3.702 -11.427 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.906 -2.622 -10.074 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.464 -2.442 -10.914 1.00 1.00 H new ATOM 207 N TRP A 14 6.958 -2.582 -6.374 1.00 1.00 N ATOM 208 CA TRP A 14 7.378 -2.102 -5.094 1.00 1.00 C ATOM 209 C TRP A 14 8.358 -0.987 -5.213 1.00 1.00 C ATOM 210 O TRP A 14 8.205 0.071 -4.604 1.00 1.00 O ATOM 211 CB TRP A 14 8.018 -3.216 -4.249 1.00 1.00 C ATOM 212 CG TRP A 14 7.181 -4.133 -3.390 1.00 1.00 C ATOM 213 CD1 TRP A 14 7.644 -4.707 -2.240 1.00 1.00 C ATOM 214 CD2 TRP A 14 5.847 -4.643 -3.572 1.00 1.00 C ATOM 215 NE1 TRP A 14 6.694 -5.526 -1.686 1.00 1.00 N ATOM 216 CE2 TRP A 14 5.590 -5.517 -2.508 1.00 1.00 C ATOM 217 CE3 TRP A 14 4.887 -4.432 -4.524 1.00 1.00 C ATOM 218 CZ2 TRP A 14 4.400 -6.182 -2.400 1.00 1.00 C ATOM 219 CZ3 TRP A 14 3.699 -5.115 -4.421 1.00 1.00 C ATOM 220 CH2 TRP A 14 3.458 -5.982 -3.380 1.00 1.00 C ATOM 0 H TRP A 14 7.063 -3.593 -6.462 1.00 1.00 H new ATOM 0 HA TRP A 14 6.475 -1.742 -4.602 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.581 -3.850 -4.934 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.742 -2.737 -3.590 1.00 1.00 H new ATOM 0 HD1 TRP A 14 8.626 -4.538 -1.823 1.00 1.00 H new ATOM 0 HE1 TRP A 14 6.789 -6.050 -0.816 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.059 -3.744 -5.338 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 4.206 -6.845 -1.569 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.938 -4.968 -5.173 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.518 -6.511 -3.333 1.00 1.00 H new ATOM 231 N LEU A 15 9.409 -1.180 -6.028 1.00 1.00 N ATOM 232 CA LEU A 15 10.392 -0.195 -6.362 1.00 1.00 C ATOM 233 C LEU A 15 9.821 1.022 -7.005 1.00 1.00 C ATOM 234 O LEU A 15 10.022 2.139 -6.528 1.00 1.00 O ATOM 235 CB LEU A 15 11.452 -0.838 -7.274 1.00 1.00 C ATOM 236 CG LEU A 15 12.594 0.065 -7.765 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.397 0.699 -6.615 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.541 -0.738 -8.672 1.00 1.00 C ATOM 0 H LEU A 15 9.584 -2.077 -6.481 1.00 1.00 H new ATOM 0 HA LEU A 15 10.842 0.146 -5.430 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.892 -1.680 -6.739 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.944 -1.246 -8.148 1.00 1.00 H new ATOM 0 HG LEU A 15 12.133 0.881 -8.322 1.00 1.00 H new ATOM 0 HD11 LEU A 15 14.189 1.325 -7.026 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.734 1.309 -6.001 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.838 -0.087 -6.002 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.349 -0.092 -9.017 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.959 -1.574 -8.112 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.987 -1.117 -9.531 1.00 1.00 H new ATOM 250 N THR A 16 9.051 0.862 -8.095 1.00 1.00 N ATOM 251 CA THR A 16 8.408 1.927 -8.802 1.00 1.00 C ATOM 252 C THR A 16 7.475 2.720 -7.952 1.00 1.00 C ATOM 253 O THR A 16 7.675 3.926 -7.819 1.00 1.00 O ATOM 254 CB THR A 16 7.734 1.494 -10.070 1.00 1.00 C ATOM 255 OG1 THR A 16 8.693 0.989 -10.987 1.00 1.00 O ATOM 256 CG2 THR A 16 7.031 2.648 -10.803 1.00 1.00 C ATOM 0 H THR A 16 8.867 -0.054 -8.504 1.00 1.00 H new ATOM 0 HA THR A 16 9.229 2.584 -9.089 1.00 1.00 H new ATOM 0 HB THR A 16 7.003 0.745 -9.766 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.932 0.072 -10.738 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.563 2.270 -11.712 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.269 3.080 -10.155 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.762 3.413 -11.063 1.00 1.00 H new ATOM 264 N ILE A 17 6.456 2.123 -7.309 1.00 1.00 N ATOM 265 CA ILE A 17 5.548 2.763 -6.407 1.00 1.00 C ATOM 266 C ILE A 17 6.208 3.558 -5.333 1.00 1.00 C ATOM 267 O ILE A 17 5.917 4.745 -5.195 1.00 1.00 O ATOM 268 CB ILE A 17 4.544 1.812 -5.826 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.748 1.089 -6.927 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.547 2.537 -4.908 1.00 1.00 C ATOM 271 CD1 ILE A 17 3.160 -0.236 -6.443 1.00 1.00 C ATOM 0 H ILE A 17 6.253 1.130 -7.427 1.00 1.00 H new ATOM 0 HA ILE A 17 5.014 3.479 -7.032 1.00 1.00 H new ATOM 0 HB ILE A 17 5.112 1.084 -5.247 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.942 1.736 -7.274 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.399 0.904 -7.781 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.834 1.818 -4.505 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.086 3.012 -4.088 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.012 3.296 -5.479 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.608 -0.708 -7.256 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.966 -0.896 -6.121 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.486 -0.051 -5.606 1.00 1.00 H new ATOM 283 N GLU A 18 7.150 2.987 -4.560 1.00 1.00 N ATOM 284 CA GLU A 18 7.856 3.692 -3.535 1.00 1.00 C ATOM 285 C GLU A 18 8.591 4.889 -4.031 1.00 1.00 C ATOM 286 O GLU A 18 8.405 6.004 -3.546 1.00 1.00 O ATOM 287 CB GLU A 18 8.863 2.752 -2.851 1.00 1.00 C ATOM 288 CG GLU A 18 9.579 3.290 -1.611 1.00 1.00 C ATOM 289 CD GLU A 18 10.752 2.401 -1.220 1.00 1.00 C ATOM 290 OE1 GLU A 18 10.537 1.199 -0.910 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.917 2.881 -1.263 1.00 1.00 O ATOM 0 H GLU A 18 7.428 2.010 -4.650 1.00 1.00 H new ATOM 0 HA GLU A 18 7.097 4.040 -2.834 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.338 1.839 -2.570 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.619 2.473 -3.585 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.935 4.302 -1.805 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.875 3.353 -0.781 1.00 1.00 H new ATOM 298 N GLU A 19 9.450 4.707 -5.048 1.00 1.00 N ATOM 299 CA GLU A 19 10.347 5.711 -5.532 1.00 1.00 C ATOM 300 C GLU A 19 9.709 6.776 -6.354 1.00 1.00 C ATOM 301 O GLU A 19 10.121 7.935 -6.332 1.00 1.00 O ATOM 302 CB GLU A 19 11.485 5.018 -6.301 1.00 1.00 C ATOM 303 CG GLU A 19 12.806 5.788 -6.333 1.00 1.00 C ATOM 304 CD GLU A 19 13.552 5.777 -5.006 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.840 4.674 -4.471 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.932 6.872 -4.511 1.00 1.00 O ATOM 0 H GLU A 19 9.524 3.825 -5.555 1.00 1.00 H new ATOM 0 HA GLU A 19 10.732 6.244 -4.662 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.663 4.040 -5.854 1.00 1.00 H new ATOM 0 HB3 GLU A 19 11.158 4.845 -7.326 1.00 1.00 H new ATOM 0 HG2 GLU A 19 13.447 5.360 -7.104 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.608 6.821 -6.620 1.00 1.00 H new ATOM 313 N ARG A 20 8.649 6.455 -7.116 1.00 1.00 N ATOM 314 CA ARG A 20 7.874 7.374 -7.891 1.00 1.00 C ATOM 315 C ARG A 20 6.947 8.196 -7.063 1.00 1.00 C ATOM 316 O ARG A 20 6.698 9.360 -7.371 1.00 1.00 O ATOM 317 CB ARG A 20 7.070 6.620 -8.963 1.00 1.00 C ATOM 318 CG ARG A 20 6.186 7.434 -9.909 1.00 1.00 C ATOM 319 CD ARG A 20 6.864 8.587 -10.652 1.00 1.00 C ATOM 320 NE ARG A 20 5.886 9.040 -11.682 1.00 1.00 N ATOM 321 CZ ARG A 20 5.697 10.339 -12.052 1.00 1.00 C ATOM 322 NH1 ARG A 20 6.527 11.348 -11.656 1.00 1.00 N ATOM 323 NH2 ARG A 20 4.640 10.652 -12.859 1.00 1.00 N ATOM 0 H ARG A 20 8.313 5.495 -7.196 1.00 1.00 H new ATOM 0 HA ARG A 20 8.582 8.056 -8.361 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.775 6.054 -9.571 1.00 1.00 H new ATOM 0 HB3 ARG A 20 6.434 5.895 -8.454 1.00 1.00 H new ATOM 0 HG2 ARG A 20 5.761 6.755 -10.648 1.00 1.00 H new ATOM 0 HG3 ARG A 20 5.354 7.841 -9.334 1.00 1.00 H new ATOM 0 HD2 ARG A 20 7.115 9.398 -9.969 1.00 1.00 H new ATOM 0 HD3 ARG A 20 7.795 8.260 -11.115 1.00 1.00 H new ATOM 0 HE ARG A 20 5.318 8.328 -12.142 1.00 1.00 H new ATOM 0 HH11 ARG A 20 7.328 11.144 -11.058 1.00 1.00 H new ATOM 0 HH12 ARG A 20 6.346 12.305 -11.958 1.00 1.00 H new ATOM 0 HH21 ARG A 20 4.006 9.919 -13.176 1.00 1.00 H new ATOM 0 HH22 ARG A 20 4.485 11.619 -13.144 1.00 1.00 H new ATOM 337 N LEU A 21 6.396 7.653 -5.962 1.00 1.00 N ATOM 338 CA LEU A 21 5.573 8.424 -5.082 1.00 1.00 C ATOM 339 C LEU A 21 6.402 9.316 -4.223 1.00 1.00 C ATOM 340 O LEU A 21 6.002 10.439 -3.920 1.00 1.00 O ATOM 341 CB LEU A 21 4.613 7.492 -4.323 1.00 1.00 C ATOM 342 CG LEU A 21 3.205 8.003 -3.975 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.164 8.863 -2.700 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.502 8.741 -5.126 1.00 1.00 C ATOM 0 H LEU A 21 6.520 6.680 -5.681 1.00 1.00 H new ATOM 0 HA LEU A 21 4.940 9.106 -5.649 1.00 1.00 H new ATOM 0 HB2 LEU A 21 4.498 6.584 -4.915 1.00 1.00 H new ATOM 0 HB3 LEU A 21 5.100 7.205 -3.391 1.00 1.00 H new ATOM 0 HG LEU A 21 2.645 7.087 -3.785 1.00 1.00 H new ATOM 0 HD11 LEU A 21 2.141 9.190 -2.514 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.517 8.275 -1.853 1.00 1.00 H new ATOM 0 HD13 LEU A 21 3.805 9.735 -2.828 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.515 9.069 -4.799 1.00 1.00 H new ATOM 0 HD22 LEU A 21 3.094 9.608 -5.418 1.00 1.00 H new ATOM 0 HD23 LEU A 21 2.397 8.070 -5.978 1.00 1.00 H new ATOM 356 N ASP A 22 7.627 8.890 -3.870 1.00 1.00 N ATOM 357 CA ASP A 22 8.648 9.683 -3.258 1.00 1.00 C ATOM 358 C ASP A 22 9.057 10.869 -4.062 1.00 1.00 C ATOM 359 O ASP A 22 8.854 12.003 -3.631 1.00 1.00 O ATOM 360 CB ASP A 22 9.856 8.791 -2.930 1.00 1.00 C ATOM 361 CG ASP A 22 10.875 9.442 -2.006 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.587 9.599 -0.790 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.010 9.739 -2.466 1.00 1.00 O ATOM 0 H ASP A 22 7.924 7.926 -4.023 1.00 1.00 H new ATOM 0 HA ASP A 22 8.227 10.095 -2.341 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.500 7.870 -2.469 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.351 8.511 -3.860 1.00 1.00 H new ATOM 368 N ASP A 23 9.663 10.690 -5.250 1.00 1.00 N ATOM 369 CA ASP A 23 10.057 11.787 -6.079 1.00 1.00 C ATOM 370 C ASP A 23 8.931 12.254 -6.935 1.00 1.00 C ATOM 371 O ASP A 23 8.489 11.601 -7.879 1.00 1.00 O ATOM 372 CB ASP A 23 11.255 11.459 -6.986 1.00 1.00 C ATOM 373 CG ASP A 23 11.813 12.696 -7.673 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.328 13.608 -6.972 1.00 1.00 O ATOM 375 OD2 ASP A 23 11.738 12.787 -8.927 1.00 1.00 O ATOM 0 H ASP A 23 9.882 9.773 -5.640 1.00 1.00 H new ATOM 0 HA ASP A 23 10.355 12.575 -5.388 1.00 1.00 H new ATOM 0 HB2 ASP A 23 12.040 10.990 -6.392 1.00 1.00 H new ATOM 0 HB3 ASP A 23 10.949 10.734 -7.740 1.00 1.00 H new ATOM 380 N TRP A 24 8.465 13.479 -6.635 1.00 1.00 N ATOM 381 CA TRP A 24 7.320 14.099 -7.228 1.00 1.00 C ATOM 382 C TRP A 24 7.692 15.492 -7.608 1.00 1.00 C ATOM 383 O TRP A 24 8.868 15.848 -7.659 1.00 1.00 O ATOM 384 CB TRP A 24 6.178 14.025 -6.202 1.00 1.00 C ATOM 385 CG TRP A 24 4.790 14.415 -6.654 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.996 15.412 -6.166 1.00 1.00 C ATOM 387 CD2 TRP A 24 4.059 13.805 -7.734 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.831 15.481 -6.884 1.00 1.00 N ATOM 389 CE2 TRP A 24 2.848 14.499 -7.847 1.00 1.00 C ATOM 390 CE3 TRP A 24 4.352 12.762 -8.569 1.00 1.00 C ATOM 391 CZ2 TRP A 24 1.931 14.162 -8.803 1.00 1.00 C ATOM 392 CZ3 TRP A 24 3.425 12.434 -9.529 1.00 1.00 C ATOM 393 CH2 TRP A 24 2.241 13.123 -9.651 1.00 1.00 C ATOM 0 H TRP A 24 8.914 14.072 -5.937 1.00 1.00 H new ATOM 0 HA TRP A 24 6.983 13.601 -8.137 1.00 1.00 H new ATOM 0 HB2 TRP A 24 6.132 13.002 -5.827 1.00 1.00 H new ATOM 0 HB3 TRP A 24 6.445 14.662 -5.359 1.00 1.00 H new ATOM 0 HD1 TRP A 24 4.249 16.053 -5.335 1.00 1.00 H new ATOM 0 HE1 TRP A 24 2.076 16.150 -6.730 1.00 1.00 H new ATOM 0 HE3 TRP A 24 5.279 12.216 -8.477 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 0.995 14.693 -8.890 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 3.631 11.616 -10.203 1.00 1.00 H new ATOM 0 HH2 TRP A 24 1.542 12.844 -10.426 1.00 1.00 H new ATOM 404 N ASP A 25 6.694 16.340 -7.917 1.00 1.00 N ATOM 405 CA ASP A 25 6.861 17.741 -8.146 1.00 1.00 C ATOM 406 C ASP A 25 5.708 18.407 -7.477 1.00 1.00 C ATOM 407 O ASP A 25 4.657 18.635 -8.075 1.00 1.00 O ATOM 408 CB ASP A 25 6.922 18.003 -9.661 1.00 1.00 C ATOM 409 CG ASP A 25 7.647 19.298 -9.996 1.00 1.00 C ATOM 410 OD1 ASP A 25 7.257 20.383 -9.487 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.621 19.235 -10.792 1.00 1.00 O ATOM 0 H ASP A 25 5.726 16.034 -8.011 1.00 1.00 H new ATOM 0 HA ASP A 25 7.790 18.137 -7.736 1.00 1.00 H new ATOM 0 HB2 ASP A 25 7.426 17.170 -10.151 1.00 1.00 H new ATOM 0 HB3 ASP A 25 5.909 18.043 -10.061 1.00 1.00 H new ATOM 416 N GLY A 26 5.823 18.694 -6.168 1.00 1.00 N ATOM 417 CA GLY A 26 4.718 19.202 -5.416 1.00 1.00 C ATOM 418 C GLY A 26 5.135 19.866 -4.148 1.00 1.00 C ATOM 419 O GLY A 26 6.277 20.291 -3.983 1.00 1.00 O ATOM 0 H GLY A 26 6.681 18.574 -5.630 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.165 19.914 -6.028 1.00 1.00 H new ATOM 0 HA3 GLY A 26 4.036 18.384 -5.184 1.00 1.00 H new ATOM 423 N ASP A 27 4.170 19.980 -3.217 1.00 1.00 N ATOM 424 CA ASP A 27 4.317 20.619 -1.945 1.00 1.00 C ATOM 425 C ASP A 27 4.219 19.631 -0.834 1.00 1.00 C ATOM 426 O ASP A 27 4.893 19.761 0.186 1.00 1.00 O ATOM 427 CB ASP A 27 3.227 21.697 -1.816 1.00 1.00 C ATOM 428 CG ASP A 27 3.624 22.818 -0.865 1.00 1.00 C ATOM 429 OD1 ASP A 27 4.793 23.284 -0.910 1.00 1.00 O ATOM 430 OD2 ASP A 27 2.748 23.281 -0.087 1.00 1.00 O ATOM 0 H ASP A 27 3.233 19.604 -3.361 1.00 1.00 H new ATOM 0 HA ASP A 27 5.303 21.079 -1.878 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.018 22.117 -2.800 1.00 1.00 H new ATOM 0 HB3 ASP A 27 2.304 21.236 -1.464 1.00 1.00 H new ATOM 435 N SER A 28 3.376 18.596 -0.995 1.00 1.00 N ATOM 436 CA SER A 28 3.174 17.529 -0.064 1.00 1.00 C ATOM 437 C SER A 28 4.407 16.741 0.217 1.00 1.00 C ATOM 438 O SER A 28 5.267 16.599 -0.651 1.00 1.00 O ATOM 439 CB SER A 28 2.161 16.489 -0.571 1.00 1.00 C ATOM 440 OG SER A 28 0.884 17.059 -0.823 1.00 1.00 O ATOM 0 H SER A 28 2.798 18.498 -1.830 1.00 1.00 H new ATOM 0 HA SER A 28 2.824 18.047 0.829 1.00 1.00 H new ATOM 0 HB2 SER A 28 2.539 16.032 -1.485 1.00 1.00 H new ATOM 0 HB3 SER A 28 2.062 15.692 0.166 1.00 1.00 H new ATOM 0 HG SER A 28 0.273 16.364 -1.145 1.00 1.00 H new ATOM 446 N ASP A 29 4.545 16.172 1.427 1.00 1.00 N ATOM 447 CA ASP A 29 5.631 15.300 1.755 1.00 1.00 C ATOM 448 C ASP A 29 5.119 13.910 1.908 1.00 1.00 C ATOM 449 O ASP A 29 3.955 13.678 2.231 1.00 1.00 O ATOM 450 CB ASP A 29 6.391 15.801 2.995 1.00 1.00 C ATOM 451 CG ASP A 29 7.868 15.444 2.919 1.00 1.00 C ATOM 452 OD1 ASP A 29 8.212 14.232 2.906 1.00 1.00 O ATOM 453 OD2 ASP A 29 8.713 16.375 2.836 1.00 1.00 O ATOM 0 H ASP A 29 3.889 16.320 2.194 1.00 1.00 H new ATOM 0 HA ASP A 29 6.358 15.298 0.943 1.00 1.00 H new ATOM 0 HB2 ASP A 29 6.280 16.882 3.080 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.955 15.364 3.893 1.00 1.00 H new ATOM 458 N ILE A 30 5.995 12.929 1.627 1.00 1.00 N ATOM 459 CA ILE A 30 5.687 11.564 1.330 1.00 1.00 C ATOM 460 C ILE A 30 6.726 10.760 2.032 1.00 1.00 C ATOM 461 O ILE A 30 7.904 10.775 1.684 1.00 1.00 O ATOM 462 CB ILE A 30 5.797 11.243 -0.132 1.00 1.00 C ATOM 463 CG1 ILE A 30 4.900 12.118 -1.024 1.00 1.00 C ATOM 464 CG2 ILE A 30 5.494 9.752 -0.358 1.00 1.00 C ATOM 465 CD1 ILE A 30 3.405 11.981 -0.742 1.00 1.00 C ATOM 0 H ILE A 30 6.999 13.106 1.606 1.00 1.00 H new ATOM 0 HA ILE A 30 4.662 11.356 1.637 1.00 1.00 H new ATOM 0 HB ILE A 30 6.822 11.467 -0.429 1.00 1.00 H new ATOM 0 HG12 ILE A 30 5.188 13.161 -0.895 1.00 1.00 H new ATOM 0 HG13 ILE A 30 5.086 11.862 -2.067 1.00 1.00 H new ATOM 0 HG21 ILE A 30 5.574 9.521 -1.420 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.209 9.147 0.200 1.00 1.00 H new ATOM 0 HG23 ILE A 30 4.484 9.530 -0.014 1.00 1.00 H new ATOM 0 HD11 ILE A 30 2.847 12.632 -1.415 1.00 1.00 H new ATOM 0 HD12 ILE A 30 3.098 10.947 -0.900 1.00 1.00 H new ATOM 0 HD13 ILE A 30 3.202 12.266 0.290 1.00 1.00 H new ATOM 477 N ASP A 31 6.291 9.949 3.015 1.00 1.00 N ATOM 478 CA ASP A 31 7.094 8.927 3.615 1.00 1.00 C ATOM 479 C ASP A 31 6.446 7.603 3.400 1.00 1.00 C ATOM 480 O ASP A 31 5.517 7.208 4.102 1.00 1.00 O ATOM 481 CB ASP A 31 7.285 9.182 5.119 1.00 1.00 C ATOM 482 CG ASP A 31 8.182 10.392 5.335 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.375 10.346 4.934 1.00 1.00 O ATOM 484 OD2 ASP A 31 7.720 11.396 5.941 1.00 1.00 O ATOM 0 H ASP A 31 5.350 10.007 3.405 1.00 1.00 H new ATOM 0 HA ASP A 31 8.078 8.937 3.147 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.318 9.348 5.593 1.00 1.00 H new ATOM 0 HB3 ASP A 31 7.726 8.304 5.591 1.00 1.00 H new ATOM 489 N CYS A 32 6.915 6.811 2.420 1.00 1.00 N ATOM 490 CA CYS A 32 6.606 5.415 2.391 1.00 1.00 C ATOM 491 C CYS A 32 7.371 4.668 3.429 1.00 1.00 C ATOM 492 O CYS A 32 8.560 4.898 3.643 1.00 1.00 O ATOM 493 CB CYS A 32 6.892 4.779 1.021 1.00 1.00 C ATOM 494 SG CYS A 32 6.246 3.091 0.814 1.00 1.00 S ATOM 0 H CYS A 32 7.504 7.134 1.652 1.00 1.00 H new ATOM 0 HA CYS A 32 5.538 5.344 2.594 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.465 5.414 0.245 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.970 4.762 0.862 1.00 1.00 H new ATOM 0 HG CYS A 32 6.563 2.375 1.852 1.00 1.00 H new ATOM 500 N GLU A 33 6.702 3.728 4.120 1.00 1.00 N ATOM 501 CA GLU A 33 7.229 2.892 5.152 1.00 1.00 C ATOM 502 C GLU A 33 7.660 1.602 4.547 1.00 1.00 C ATOM 503 O GLU A 33 7.069 1.163 3.561 1.00 1.00 O ATOM 504 CB GLU A 33 6.132 2.610 6.193 1.00 1.00 C ATOM 505 CG GLU A 33 6.529 2.826 7.655 1.00 1.00 C ATOM 506 CD GLU A 33 7.458 1.757 8.211 1.00 1.00 C ATOM 507 OE1 GLU A 33 8.681 1.793 7.909 1.00 1.00 O ATOM 508 OE2 GLU A 33 6.983 0.923 9.029 1.00 1.00 O ATOM 0 H GLU A 33 5.716 3.539 3.942 1.00 1.00 H new ATOM 0 HA GLU A 33 8.073 3.387 5.633 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.275 3.246 5.971 1.00 1.00 H new ATOM 0 HB3 GLU A 33 5.802 1.578 6.075 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.014 3.798 7.749 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.626 2.860 8.264 1.00 1.00 H new ATOM 515 N ILE A 34 8.691 0.952 5.117 1.00 1.00 N ATOM 516 CA ILE A 34 9.322 -0.196 4.543 1.00 1.00 C ATOM 517 C ILE A 34 9.535 -1.222 5.603 1.00 1.00 C ATOM 518 O ILE A 34 10.420 -1.153 6.453 1.00 1.00 O ATOM 519 CB ILE A 34 10.638 0.019 3.858 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.662 1.238 2.921 1.00 1.00 C ATOM 521 CG2 ILE A 34 10.996 -1.243 3.056 1.00 1.00 C ATOM 522 CD1 ILE A 34 11.035 2.535 3.641 1.00 1.00 C ATOM 0 H ILE A 34 9.099 1.235 6.008 1.00 1.00 H new ATOM 0 HA ILE A 34 8.629 -0.504 3.760 1.00 1.00 H new ATOM 0 HB ILE A 34 11.369 0.218 4.641 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.375 1.057 2.116 1.00 1.00 H new ATOM 0 HG13 ILE A 34 9.682 1.354 2.459 1.00 1.00 H new ATOM 0 HG21 ILE A 34 11.952 -1.096 2.554 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.068 -2.095 3.732 1.00 1.00 H new ATOM 0 HG23 ILE A 34 10.222 -1.434 2.313 1.00 1.00 H new ATOM 0 HD11 ILE A 34 11.035 3.360 2.928 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.308 2.736 4.428 1.00 1.00 H new ATOM 0 HD13 ILE A 34 12.028 2.435 4.080 1.00 1.00 H new ATOM 534 N ASN A 35 8.709 -2.281 5.531 1.00 1.00 N ATOM 535 CA ASN A 35 8.890 -3.498 6.261 1.00 1.00 C ATOM 536 C ASN A 35 9.191 -4.560 5.261 1.00 1.00 C ATOM 537 O ASN A 35 9.125 -4.321 4.056 1.00 1.00 O ATOM 538 CB ASN A 35 7.693 -3.880 7.149 1.00 1.00 C ATOM 539 CG ASN A 35 7.086 -2.662 7.830 1.00 1.00 C ATOM 540 OD1 ASN A 35 5.915 -2.353 7.612 1.00 1.00 O ATOM 541 ND2 ASN A 35 7.882 -1.937 8.660 1.00 1.00 N ATOM 0 H ASN A 35 7.879 -2.290 4.938 1.00 1.00 H new ATOM 0 HA ASN A 35 9.710 -3.369 6.967 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.934 -4.374 6.543 1.00 1.00 H new ATOM 0 HB3 ASN A 35 8.014 -4.597 7.905 1.00 1.00 H new ATOM 0 HD21 ASN A 35 7.513 -1.108 9.125 1.00 1.00 H new ATOM 0 HD22 ASN A 35 8.848 -2.222 8.818 1.00 1.00 H new ATOM 548 N GLY A 36 9.559 -5.780 5.693 1.00 1.00 N ATOM 549 CA GLY A 36 10.090 -6.790 4.831 1.00 1.00 C ATOM 550 C GLY A 36 9.151 -7.406 3.851 1.00 1.00 C ATOM 551 O GLY A 36 8.580 -8.465 4.103 1.00 1.00 O ATOM 0 H GLY A 36 9.485 -6.072 6.668 1.00 1.00 H new ATOM 0 HA2 GLY A 36 10.923 -6.358 4.276 1.00 1.00 H new ATOM 0 HA3 GLY A 36 10.500 -7.585 5.454 1.00 1.00 H new ATOM 555 N GLY A 37 8.981 -6.761 2.684 1.00 1.00 N ATOM 556 CA GLY A 37 8.092 -7.142 1.630 1.00 1.00 C ATOM 557 C GLY A 37 6.776 -6.448 1.703 1.00 1.00 C ATOM 558 O GLY A 37 5.824 -6.821 1.018 1.00 1.00 O ATOM 0 H GLY A 37 9.502 -5.913 2.462 1.00 1.00 H new ATOM 0 HA2 GLY A 37 8.560 -6.923 0.670 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.932 -8.219 1.668 1.00 1.00 H new ATOM 562 N VAL A 38 6.674 -5.403 2.543 1.00 1.00 N ATOM 563 CA VAL A 38 5.467 -4.682 2.804 1.00 1.00 C ATOM 564 C VAL A 38 5.792 -3.232 2.699 1.00 1.00 C ATOM 565 O VAL A 38 6.773 -2.763 3.273 1.00 1.00 O ATOM 566 CB VAL A 38 4.968 -4.919 4.198 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.623 -4.208 4.420 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.819 -6.421 4.500 1.00 1.00 C ATOM 0 H VAL A 38 7.473 -5.043 3.066 1.00 1.00 H new ATOM 0 HA VAL A 38 4.704 -5.007 2.096 1.00 1.00 H new ATOM 0 HB VAL A 38 5.710 -4.507 4.882 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.278 -4.392 5.437 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.749 -3.136 4.268 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.888 -4.591 3.712 1.00 1.00 H new ATOM 0 HG21 VAL A 38 4.455 -6.553 5.519 1.00 1.00 H new ATOM 0 HG22 VAL A 38 4.109 -6.864 3.801 1.00 1.00 H new ATOM 0 HG23 VAL A 38 5.787 -6.911 4.394 1.00 1.00 H new ATOM 578 N LEU A 39 4.986 -2.446 1.964 1.00 1.00 N ATOM 579 CA LEU A 39 5.146 -1.026 1.903 1.00 1.00 C ATOM 580 C LEU A 39 3.892 -0.363 2.357 1.00 1.00 C ATOM 581 O LEU A 39 2.778 -0.772 2.035 1.00 1.00 O ATOM 582 CB LEU A 39 5.466 -0.600 0.460 1.00 1.00 C ATOM 583 CG LEU A 39 6.872 -1.033 0.009 1.00 1.00 C ATOM 584 CD1 LEU A 39 7.016 -0.907 -1.517 1.00 1.00 C ATOM 585 CD2 LEU A 39 8.010 -0.250 0.683 1.00 1.00 C ATOM 0 H LEU A 39 4.211 -2.801 1.403 1.00 1.00 H new ATOM 0 HA LEU A 39 5.968 -0.728 2.554 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.725 -1.030 -0.214 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.381 0.484 0.378 1.00 1.00 H new ATOM 0 HG LEU A 39 6.967 -2.073 0.320 1.00 1.00 H new ATOM 0 HD11 LEU A 39 8.017 -1.218 -1.815 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.278 -1.543 -2.006 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.855 0.130 -1.813 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.969 -0.612 0.314 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.909 0.810 0.451 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.960 -0.392 1.763 1.00 1.00 H new ATOM 597 N THR A 40 4.055 0.703 3.159 1.00 1.00 N ATOM 598 CA THR A 40 2.948 1.377 3.767 1.00 1.00 C ATOM 599 C THR A 40 3.095 2.828 3.463 1.00 1.00 C ATOM 600 O THR A 40 4.003 3.494 3.960 1.00 1.00 O ATOM 601 CB THR A 40 2.824 1.181 5.248 1.00 1.00 C ATOM 602 OG1 THR A 40 3.311 -0.084 5.669 1.00 1.00 O ATOM 603 CG2 THR A 40 1.332 1.189 5.624 1.00 1.00 C ATOM 0 H THR A 40 4.965 1.103 3.389 1.00 1.00 H new ATOM 0 HA THR A 40 2.036 0.947 3.352 1.00 1.00 H new ATOM 0 HB THR A 40 3.398 1.978 5.720 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.211 -0.166 6.640 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.227 1.047 6.700 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.890 2.144 5.339 1.00 1.00 H new ATOM 0 HG23 THR A 40 0.820 0.382 5.100 1.00 1.00 H new ATOM 611 N ILE A 41 2.270 3.399 2.566 1.00 1.00 N ATOM 612 CA ILE A 41 2.522 4.703 2.036 1.00 1.00 C ATOM 613 C ILE A 41 1.874 5.723 2.906 1.00 1.00 C ATOM 614 O ILE A 41 0.666 5.651 3.126 1.00 1.00 O ATOM 615 CB ILE A 41 2.085 4.864 0.611 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.634 3.736 -0.280 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.529 6.239 0.081 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.001 3.706 -1.671 1.00 1.00 C ATOM 0 H ILE A 41 1.425 2.955 2.207 1.00 1.00 H new ATOM 0 HA ILE A 41 3.603 4.846 2.031 1.00 1.00 H new ATOM 0 HB ILE A 41 0.997 4.803 0.580 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.713 3.854 -0.381 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.463 2.778 0.211 1.00 1.00 H new ATOM 0 HG21 ILE A 41 2.209 6.350 -0.955 1.00 1.00 H new ATOM 0 HG22 ILE A 41 2.078 7.025 0.687 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.615 6.317 0.135 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.431 2.888 -2.249 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.925 3.558 -1.578 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.195 4.651 -2.179 1.00 1.00 H new ATOM 630 N THR A 42 2.647 6.683 3.441 1.00 1.00 N ATOM 631 CA THR A 42 2.120 7.703 4.293 1.00 1.00 C ATOM 632 C THR A 42 2.409 9.083 3.812 1.00 1.00 C ATOM 633 O THR A 42 3.511 9.404 3.370 1.00 1.00 O ATOM 634 CB THR A 42 2.470 7.594 5.748 1.00 1.00 C ATOM 635 OG1 THR A 42 3.825 7.880 6.068 1.00 1.00 O ATOM 636 CG2 THR A 42 2.184 6.176 6.270 1.00 1.00 C ATOM 0 H THR A 42 3.652 6.753 3.281 1.00 1.00 H new ATOM 0 HA THR A 42 1.049 7.514 4.224 1.00 1.00 H new ATOM 0 HB THR A 42 1.846 8.352 6.222 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.416 7.359 5.485 1.00 1.00 H new ATOM 0 HG21 THR A 42 2.445 6.118 7.327 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.125 5.949 6.144 1.00 1.00 H new ATOM 0 HG23 THR A 42 2.779 5.455 5.709 1.00 1.00 H new ATOM 644 N PHE A 43 1.399 9.972 3.837 1.00 1.00 N ATOM 645 CA PHE A 43 1.529 11.365 3.542 1.00 1.00 C ATOM 646 C PHE A 43 1.095 12.210 4.690 1.00 1.00 C ATOM 647 O PHE A 43 0.530 11.716 5.666 1.00 1.00 O ATOM 648 CB PHE A 43 0.901 11.779 2.201 1.00 1.00 C ATOM 649 CG PHE A 43 -0.254 10.952 1.750 1.00 1.00 C ATOM 650 CD1 PHE A 43 -0.034 9.746 1.127 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.542 11.414 1.876 1.00 1.00 C ATOM 652 CE1 PHE A 43 -1.084 8.998 0.649 1.00 1.00 C ATOM 653 CE2 PHE A 43 -2.594 10.680 1.383 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.369 9.467 0.778 1.00 1.00 C ATOM 0 H PHE A 43 0.444 9.705 4.075 1.00 1.00 H new ATOM 0 HA PHE A 43 2.594 11.551 3.401 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.575 12.816 2.278 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.673 11.744 1.432 1.00 1.00 H new ATOM 0 HD1 PHE A 43 0.976 9.382 1.012 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -1.728 12.359 2.365 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -0.899 8.046 0.174 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -3.602 11.058 1.471 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.199 8.885 0.405 1.00 1.00 H new ATOM 664 N GLU A 44 1.322 13.534 4.616 1.00 1.00 N ATOM 665 CA GLU A 44 1.182 14.498 5.663 1.00 1.00 C ATOM 666 C GLU A 44 -0.103 14.549 6.415 1.00 1.00 C ATOM 667 O GLU A 44 -0.112 14.807 7.617 1.00 1.00 O ATOM 668 CB GLU A 44 1.454 15.875 5.039 1.00 1.00 C ATOM 669 CG GLU A 44 2.931 16.123 4.726 1.00 1.00 C ATOM 670 CD GLU A 44 3.738 16.639 5.909 1.00 1.00 C ATOM 671 OE1 GLU A 44 3.337 16.426 7.084 1.00 1.00 O ATOM 672 OE2 GLU A 44 4.806 17.270 5.686 1.00 1.00 O ATOM 0 H GLU A 44 1.631 13.966 3.745 1.00 1.00 H new ATOM 0 HA GLU A 44 1.893 14.188 6.429 1.00 1.00 H new ATOM 0 HB2 GLU A 44 0.875 15.969 4.120 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.100 16.650 5.719 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.378 15.194 4.373 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.003 16.842 3.910 1.00 1.00 H new ATOM 679 N ASN A 45 -1.247 14.251 5.772 1.00 1.00 N ATOM 680 CA ASN A 45 -2.531 14.178 6.401 1.00 1.00 C ATOM 681 C ASN A 45 -2.680 13.074 7.390 1.00 1.00 C ATOM 682 O ASN A 45 -3.639 13.039 8.159 1.00 1.00 O ATOM 683 CB ASN A 45 -3.599 14.052 5.301 1.00 1.00 C ATOM 684 CG ASN A 45 -4.995 14.413 5.789 1.00 1.00 C ATOM 685 OD1 ASN A 45 -5.241 15.521 6.264 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.958 13.458 5.684 1.00 1.00 N ATOM 0 H ASN A 45 -1.279 14.053 4.772 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.652 15.092 6.982 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.332 14.700 4.466 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -3.605 13.030 4.922 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.907 13.654 6.002 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.731 12.546 5.287 1.00 1.00 H new ATOM 693 N GLY A 46 -1.743 12.109 7.434 1.00 1.00 N ATOM 694 CA GLY A 46 -1.779 10.994 8.329 1.00 1.00 C ATOM 695 C GLY A 46 -2.501 9.836 7.731 1.00 1.00 C ATOM 696 O GLY A 46 -2.934 8.913 8.420 1.00 1.00 O ATOM 0 H GLY A 46 -0.928 12.106 6.821 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -0.761 10.697 8.583 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.267 11.288 9.258 1.00 1.00 H new ATOM 700 N SER A 47 -2.662 9.881 6.396 1.00 1.00 N ATOM 701 CA SER A 47 -3.418 8.958 5.609 1.00 1.00 C ATOM 702 C SER A 47 -2.555 7.846 5.118 1.00 1.00 C ATOM 703 O SER A 47 -1.331 7.959 5.092 1.00 1.00 O ATOM 704 CB SER A 47 -4.070 9.699 4.429 1.00 1.00 C ATOM 705 OG SER A 47 -5.040 10.620 4.904 1.00 1.00 O ATOM 0 H SER A 47 -2.234 10.613 5.829 1.00 1.00 H new ATOM 0 HA SER A 47 -4.199 8.522 6.232 1.00 1.00 H new ATOM 0 HB2 SER A 47 -3.308 10.226 3.855 1.00 1.00 H new ATOM 0 HB3 SER A 47 -4.538 8.982 3.754 1.00 1.00 H new ATOM 0 HG SER A 47 -5.568 10.957 4.150 1.00 1.00 H new ATOM 711 N LYS A 48 -3.163 6.698 4.773 1.00 1.00 N ATOM 712 CA LYS A 48 -2.473 5.449 4.886 1.00 1.00 C ATOM 713 C LYS A 48 -2.889 4.431 3.880 1.00 1.00 C ATOM 714 O LYS A 48 -4.055 4.051 3.789 1.00 1.00 O ATOM 715 CB LYS A 48 -2.639 4.915 6.318 1.00 1.00 C ATOM 716 CG LYS A 48 -4.075 4.842 6.840 1.00 1.00 C ATOM 717 CD LYS A 48 -4.190 5.005 8.357 1.00 1.00 C ATOM 718 CE LYS A 48 -3.805 3.786 9.199 1.00 1.00 C ATOM 719 NZ LYS A 48 -4.731 2.662 8.936 1.00 1.00 N ATOM 0 H LYS A 48 -4.118 6.632 4.421 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.422 5.640 4.671 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -2.204 3.917 6.366 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -2.060 5.548 6.991 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -4.668 5.617 6.355 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -4.508 3.884 6.553 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -3.562 5.843 8.660 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -5.219 5.275 8.596 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -2.783 3.485 8.968 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -3.829 4.045 10.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -4.600 1.928 9.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -5.712 3.006 8.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -4.532 2.261 7.997 1.00 1.00 H new ATOM 733 N ILE A 49 -1.933 3.944 3.067 1.00 1.00 N ATOM 734 CA ILE A 49 -2.130 2.914 2.096 1.00 1.00 C ATOM 735 C ILE A 49 -1.290 1.755 2.513 1.00 1.00 C ATOM 736 O ILE A 49 -0.127 1.970 2.851 1.00 1.00 O ATOM 737 CB ILE A 49 -1.677 3.276 0.713 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.734 4.779 0.391 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.453 2.436 -0.315 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.122 5.417 0.369 1.00 1.00 C ATOM 0 H ILE A 49 -0.973 4.288 3.090 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.201 2.717 2.057 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.615 3.037 0.657 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.126 5.309 1.124 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.270 4.938 -0.582 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -2.125 2.698 -1.321 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -2.265 1.377 -0.136 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.520 2.636 -0.218 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -3.032 6.477 0.131 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.736 4.927 -0.386 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.590 5.303 1.347 1.00 1.00 H new ATOM 752 N ILE A 50 -1.762 0.496 2.504 1.00 1.00 N ATOM 753 CA ILE A 50 -0.975 -0.629 2.900 1.00 1.00 C ATOM 754 C ILE A 50 -0.948 -1.655 1.819 1.00 1.00 C ATOM 755 O ILE A 50 -1.974 -2.169 1.374 1.00 1.00 O ATOM 756 CB ILE A 50 -1.428 -1.148 4.232 1.00 1.00 C ATOM 757 CG1 ILE A 50 -0.782 -2.492 4.612 1.00 1.00 C ATOM 758 CG2 ILE A 50 -2.959 -1.269 4.303 1.00 1.00 C ATOM 759 CD1 ILE A 50 0.728 -2.408 4.823 1.00 1.00 C ATOM 0 H ILE A 50 -2.710 0.255 2.216 1.00 1.00 H new ATOM 0 HA ILE A 50 0.061 -0.322 3.042 1.00 1.00 H new ATOM 0 HB ILE A 50 -1.093 -0.408 4.959 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -1.248 -2.864 5.525 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -0.991 -3.220 3.828 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -3.249 -1.648 5.283 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -3.409 -0.289 4.145 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -3.306 -1.956 3.531 1.00 1.00 H new ATOM 0 HD11 ILE A 50 1.114 -3.392 5.088 1.00 1.00 H new ATOM 0 HD12 ILE A 50 1.205 -2.067 3.904 1.00 1.00 H new ATOM 0 HD13 ILE A 50 0.944 -1.705 5.627 1.00 1.00 H new ATOM 771 N ILE A 51 0.263 -1.956 1.322 1.00 1.00 N ATOM 772 CA ILE A 51 0.512 -2.711 0.132 1.00 1.00 C ATOM 773 C ILE A 51 1.503 -3.806 0.331 1.00 1.00 C ATOM 774 O ILE A 51 2.626 -3.630 0.798 1.00 1.00 O ATOM 775 CB ILE A 51 0.980 -1.848 -1.001 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.080 -0.602 -1.041 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.952 -2.629 -2.325 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.182 0.197 -2.338 1.00 1.00 C ATOM 0 H ILE A 51 1.123 -1.654 1.779 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.452 -3.153 -0.119 1.00 1.00 H new ATOM 0 HB ILE A 51 2.015 -1.539 -0.852 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.956 -0.910 -0.897 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.339 0.048 -0.205 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.295 -1.985 -3.135 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.607 -3.497 -2.249 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.066 -2.960 -2.531 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.483 1.059 -2.287 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.208 0.538 -2.476 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -0.107 -0.435 -3.178 1.00 1.00 H new ATOM 790 N ASN A 52 1.092 -5.034 -0.036 1.00 1.00 N ATOM 791 CA ASN A 52 1.787 -6.258 0.217 1.00 1.00 C ATOM 792 C ASN A 52 1.211 -7.251 -0.732 1.00 1.00 C ATOM 793 O ASN A 52 0.318 -6.944 -1.522 1.00 1.00 O ATOM 794 CB ASN A 52 1.728 -6.593 1.718 1.00 1.00 C ATOM 795 CG ASN A 52 2.089 -8.010 2.136 1.00 1.00 C ATOM 796 OD1 ASN A 52 3.362 -8.421 1.888 1.00 1.00 O flip ATOM 797 ND2 ASN A 52 1.251 -8.755 2.640 1.00 1.00 N flip ATOM 0 H ASN A 52 0.218 -5.180 -0.542 1.00 1.00 H new ATOM 0 HA ASN A 52 2.860 -6.224 0.027 1.00 1.00 H new ATOM 0 HB2 ASN A 52 2.394 -5.908 2.242 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.717 -6.386 2.069 1.00 1.00 H new ATOM 0 HD21 ASN A 52 0.305 -8.415 2.813 1.00 1.00 H new ATOM 0 HD22 ASN A 52 1.502 -9.713 2.885 1.00 1.00 H new ATOM 804 N ARG A 53 1.749 -8.482 -0.770 1.00 1.00 N ATOM 805 CA ARG A 53 1.410 -9.508 -1.706 1.00 1.00 C ATOM 806 C ARG A 53 0.642 -10.614 -1.067 1.00 1.00 C ATOM 807 O ARG A 53 0.755 -10.874 0.128 1.00 1.00 O ATOM 808 CB ARG A 53 2.742 -9.989 -2.309 1.00 1.00 C ATOM 809 CG ARG A 53 3.221 -11.408 -2.000 1.00 1.00 C ATOM 810 CD ARG A 53 4.570 -11.812 -2.598 1.00 1.00 C ATOM 811 NE ARG A 53 5.623 -11.042 -1.876 1.00 1.00 N ATOM 812 CZ ARG A 53 6.153 -11.398 -0.669 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.152 -12.673 -0.183 1.00 1.00 N ATOM 814 NH2 ARG A 53 6.763 -10.426 0.071 1.00 1.00 N ATOM 0 H ARG A 53 2.464 -8.779 -0.106 1.00 1.00 H new ATOM 0 HA ARG A 53 0.749 -9.129 -2.485 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.667 -9.895 -3.392 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.520 -9.299 -1.982 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.279 -11.522 -0.917 1.00 1.00 H new ATOM 0 HG3 ARG A 53 2.466 -12.109 -2.355 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.734 -12.884 -2.487 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.598 -11.594 -3.666 1.00 1.00 H new ATOM 0 HE ARG A 53 5.972 -10.190 -2.314 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.738 -13.427 -0.731 1.00 1.00 H new ATOM 0 HH12 ARG A 53 6.565 -12.872 0.728 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.811 -9.471 -0.283 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.170 -10.655 0.978 1.00 1.00 H new ATOM 828 N GLN A 54 -0.172 -11.324 -1.870 1.00 1.00 N ATOM 829 CA GLN A 54 -0.883 -12.503 -1.482 1.00 1.00 C ATOM 830 C GLN A 54 -0.182 -13.682 -2.065 1.00 1.00 C ATOM 831 O GLN A 54 -0.491 -14.137 -3.165 1.00 1.00 O ATOM 832 CB GLN A 54 -2.314 -12.385 -2.033 1.00 1.00 C ATOM 833 CG GLN A 54 -3.140 -11.265 -1.401 1.00 1.00 C ATOM 834 CD GLN A 54 -3.453 -11.533 0.065 1.00 1.00 C ATOM 835 OE1 GLN A 54 -2.615 -11.401 0.955 1.00 1.00 O ATOM 836 NE2 GLN A 54 -4.724 -11.930 0.339 1.00 1.00 N ATOM 0 H GLN A 54 -0.343 -11.061 -2.841 1.00 1.00 H new ATOM 0 HA GLN A 54 -0.922 -12.620 -0.399 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -2.264 -12.221 -3.109 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -2.830 -13.333 -1.879 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -2.598 -10.323 -1.488 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -4.072 -11.148 -1.954 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -5.401 -12.032 -0.417 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -5.001 -12.126 1.301 1.00 1.00 H new ATOM 845 N GLU A 55 0.838 -14.202 -1.358 1.00 1.00 N ATOM 846 CA GLU A 55 1.827 -15.059 -1.934 1.00 1.00 C ATOM 847 C GLU A 55 1.399 -16.360 -2.523 1.00 1.00 C ATOM 848 O GLU A 55 1.933 -16.666 -3.589 1.00 1.00 O ATOM 849 CB GLU A 55 3.075 -15.235 -1.052 1.00 1.00 C ATOM 850 CG GLU A 55 4.241 -15.838 -1.839 1.00 1.00 C ATOM 851 CD GLU A 55 5.575 -15.786 -1.110 1.00 1.00 C ATOM 852 OE1 GLU A 55 5.770 -16.540 -0.120 1.00 1.00 O ATOM 853 OE2 GLU A 55 6.459 -15.013 -1.568 1.00 1.00 O ATOM 0 H GLU A 55 0.978 -14.023 -0.364 1.00 1.00 H new ATOM 0 HA GLU A 55 2.081 -14.471 -2.816 1.00 1.00 H new ATOM 0 HB2 GLU A 55 3.372 -14.269 -0.644 1.00 1.00 H new ATOM 0 HB3 GLU A 55 2.835 -15.879 -0.206 1.00 1.00 H new ATOM 0 HG2 GLU A 55 4.008 -16.876 -2.074 1.00 1.00 H new ATOM 0 HG3 GLU A 55 4.337 -15.310 -2.788 1.00 1.00 H new ATOM 860 N PRO A 56 0.498 -17.164 -2.046 1.00 1.00 N ATOM 861 CA PRO A 56 0.186 -18.413 -2.680 1.00 1.00 C ATOM 862 C PRO A 56 -0.411 -18.354 -4.044 1.00 1.00 C ATOM 863 O PRO A 56 -0.551 -19.411 -4.657 1.00 1.00 O ATOM 864 CB PRO A 56 -0.773 -19.099 -1.709 1.00 1.00 C ATOM 865 CG PRO A 56 -0.304 -18.597 -0.333 1.00 1.00 C ATOM 866 CD PRO A 56 0.060 -17.141 -0.658 1.00 1.00 C ATOM 0 HA PRO A 56 1.120 -18.944 -2.867 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -1.809 -18.824 -1.906 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -0.712 -20.185 -1.783 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -1.089 -18.667 0.420 1.00 1.00 H new ATOM 0 HG3 PRO A 56 0.550 -19.161 0.042 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -0.797 -16.481 -0.525 1.00 1.00 H new ATOM 0 HD3 PRO A 56 0.849 -16.775 -0.001 1.00 1.00 H new ATOM 874 N LEU A 57 -0.780 -17.171 -4.569 1.00 1.00 N ATOM 875 CA LEU A 57 -1.243 -17.013 -5.913 1.00 1.00 C ATOM 876 C LEU A 57 -0.325 -16.123 -6.677 1.00 1.00 C ATOM 877 O LEU A 57 0.817 -16.465 -6.978 1.00 1.00 O ATOM 878 CB LEU A 57 -2.683 -16.479 -5.980 1.00 1.00 C ATOM 879 CG LEU A 57 -3.692 -17.368 -5.233 1.00 1.00 C ATOM 880 CD1 LEU A 57 -5.080 -16.716 -5.121 1.00 1.00 C ATOM 881 CD2 LEU A 57 -3.831 -18.781 -5.825 1.00 1.00 C ATOM 0 H LEU A 57 -0.755 -16.298 -4.042 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.247 -18.004 -6.368 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.711 -15.474 -5.558 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.985 -16.395 -7.024 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.270 -17.472 -4.234 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -5.754 -17.385 -4.586 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -4.997 -15.774 -4.579 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -5.475 -16.526 -6.119 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.559 -19.348 -5.246 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -4.166 -18.711 -6.860 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -2.866 -19.287 -5.790 1.00 1.00 H new ATOM 893 N HIS A 58 -0.846 -14.938 -7.048 1.00 1.00 N ATOM 894 CA HIS A 58 -0.242 -14.037 -7.981 1.00 1.00 C ATOM 895 C HIS A 58 -0.523 -12.616 -7.628 1.00 1.00 C ATOM 896 O HIS A 58 0.259 -11.734 -7.979 1.00 1.00 O ATOM 897 CB HIS A 58 -0.651 -14.450 -9.405 1.00 1.00 C ATOM 898 CG HIS A 58 -0.376 -13.419 -10.459 1.00 1.00 C ATOM 899 ND1 HIS A 58 -0.950 -12.186 -10.465 1.00 1.00 N flip ATOM 900 CD2 HIS A 58 0.555 -13.426 -11.464 1.00 1.00 C flip ATOM 901 CE1 HIS A 58 -0.361 -11.482 -11.482 1.00 1.00 C flip ATOM 902 NE2 HIS A 58 0.521 -12.261 -12.082 1.00 1.00 N flip ATOM 0 H HIS A 58 -1.732 -14.592 -6.679 1.00 1.00 H new ATOM 0 HA HIS A 58 0.845 -14.105 -7.935 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -0.125 -15.368 -9.668 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -1.716 -14.680 -9.410 1.00 1.00 H new ATOM 0 HD2 HIS A 58 1.209 -14.250 -11.710 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -0.581 -10.459 -11.749 1.00 1.00 H new ATOM 0 HE2 HIS A 58 1.085 -12.003 -12.892 1.00 1.00 H new ATOM 910 N GLN A 59 -1.661 -12.273 -6.998 1.00 1.00 N ATOM 911 CA GLN A 59 -2.060 -10.909 -6.832 1.00 1.00 C ATOM 912 C GLN A 59 -1.427 -10.154 -5.714 1.00 1.00 C ATOM 913 O GLN A 59 -1.022 -10.654 -4.666 1.00 1.00 O ATOM 914 CB GLN A 59 -3.588 -10.759 -6.750 1.00 1.00 C ATOM 915 CG GLN A 59 -4.295 -11.302 -5.506 1.00 1.00 C ATOM 916 CD GLN A 59 -4.565 -12.799 -5.542 1.00 1.00 C ATOM 917 OE1 GLN A 59 -4.082 -13.566 -6.373 1.00 1.00 O ATOM 918 NE2 GLN A 59 -5.392 -13.242 -4.558 1.00 1.00 N ATOM 0 H GLN A 59 -2.312 -12.949 -6.599 1.00 1.00 H new ATOM 0 HA GLN A 59 -1.676 -10.447 -7.742 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.825 -9.698 -6.833 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.020 -11.251 -7.622 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -3.688 -11.075 -4.630 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -5.242 -10.777 -5.382 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -5.779 -12.583 -3.882 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -5.626 -14.233 -4.496 1.00 1.00 H new ATOM 927 N VAL A 60 -1.364 -8.830 -5.943 1.00 1.00 N ATOM 928 CA VAL A 60 -0.971 -7.829 -5.001 1.00 1.00 C ATOM 929 C VAL A 60 -2.195 -7.346 -4.301 1.00 1.00 C ATOM 930 O VAL A 60 -3.282 -7.312 -4.877 1.00 1.00 O ATOM 931 CB VAL A 60 -0.243 -6.718 -5.697 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.023 -5.498 -4.799 1.00 1.00 C ATOM 933 CG2 VAL A 60 1.083 -7.269 -6.248 1.00 1.00 C ATOM 0 H VAL A 60 -1.605 -8.433 -6.851 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.282 -8.241 -4.264 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.885 -6.361 -6.502 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.553 -4.735 -5.369 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.925 -5.093 -4.445 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.630 -5.800 -3.946 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.624 -6.472 -6.758 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.688 -7.651 -5.426 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.877 -8.075 -6.952 1.00 1.00 H new ATOM 943 N TRP A 61 -2.099 -6.959 -3.016 1.00 1.00 N ATOM 944 CA TRP A 61 -3.181 -6.396 -2.270 1.00 1.00 C ATOM 945 C TRP A 61 -2.916 -4.939 -2.104 1.00 1.00 C ATOM 946 O TRP A 61 -1.762 -4.529 -1.989 1.00 1.00 O ATOM 947 CB TRP A 61 -3.355 -7.157 -0.945 1.00 1.00 C ATOM 948 CG TRP A 61 -3.097 -6.443 0.360 1.00 1.00 C ATOM 949 CD1 TRP A 61 -1.896 -5.977 0.813 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.070 -6.053 1.348 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.077 -5.166 1.904 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.388 -5.287 2.299 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.407 -6.313 1.468 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.045 -4.810 3.403 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.047 -5.854 2.596 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.374 -5.129 3.552 1.00 1.00 C ATOM 0 H TRP A 61 -1.237 -7.041 -2.477 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.132 -6.499 -2.792 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.378 -7.533 -0.916 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -2.697 -8.026 -0.978 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -0.938 -6.214 0.374 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.367 -4.579 2.343 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.941 -6.859 0.705 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.534 -4.201 4.134 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -7.097 -6.067 2.733 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.900 -4.804 4.437 1.00 1.00 H new ATOM 967 N LEU A 62 -3.960 -4.091 -2.050 1.00 1.00 N ATOM 968 CA LEU A 62 -3.794 -2.745 -1.602 1.00 1.00 C ATOM 969 C LEU A 62 -5.005 -2.267 -0.878 1.00 1.00 C ATOM 970 O LEU A 62 -6.108 -2.149 -1.412 1.00 1.00 O ATOM 971 CB LEU A 62 -3.304 -1.756 -2.676 1.00 1.00 C ATOM 972 CG LEU A 62 -4.306 -1.175 -3.688 1.00 1.00 C ATOM 973 CD1 LEU A 62 -3.685 0.021 -4.429 1.00 1.00 C ATOM 974 CD2 LEU A 62 -4.798 -2.243 -4.679 1.00 1.00 C ATOM 0 H LEU A 62 -4.914 -4.337 -2.315 1.00 1.00 H new ATOM 0 HA LEU A 62 -2.968 -2.773 -0.892 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -2.839 -0.917 -2.159 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -2.519 -2.254 -3.244 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.177 -0.826 -3.133 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.406 0.422 -5.142 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -3.417 0.795 -3.710 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.791 -0.305 -4.961 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.504 -1.794 -5.377 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -3.949 -2.646 -5.231 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -5.290 -3.047 -4.132 1.00 1.00 H new ATOM 986 N ALA A 63 -4.826 -1.975 0.422 1.00 1.00 N ATOM 987 CA ALA A 63 -5.836 -1.361 1.229 1.00 1.00 C ATOM 988 C ALA A 63 -5.642 0.104 1.423 1.00 1.00 C ATOM 989 O ALA A 63 -4.536 0.629 1.530 1.00 1.00 O ATOM 990 CB ALA A 63 -6.142 -2.084 2.550 1.00 1.00 C ATOM 0 H ALA A 63 -3.960 -2.170 0.925 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.737 -1.479 0.627 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.919 -1.543 3.089 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.485 -3.097 2.339 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.239 -2.126 3.159 1.00 1.00 H new ATOM 996 N THR A 64 -6.789 0.807 1.377 1.00 1.00 N ATOM 997 CA THR A 64 -6.909 2.231 1.311 1.00 1.00 C ATOM 998 C THR A 64 -8.204 2.597 1.950 1.00 1.00 C ATOM 999 O THR A 64 -8.834 1.773 2.611 1.00 1.00 O ATOM 1000 CB THR A 64 -6.776 2.702 -0.108 1.00 1.00 C ATOM 1001 OG1 THR A 64 -6.591 4.105 -0.219 1.00 1.00 O ATOM 1002 CG2 THR A 64 -7.959 2.282 -0.995 1.00 1.00 C ATOM 0 H THR A 64 -7.698 0.345 1.387 1.00 1.00 H new ATOM 0 HA THR A 64 -6.107 2.733 1.852 1.00 1.00 H new ATOM 0 HB THR A 64 -5.875 2.205 -0.467 1.00 1.00 H new ATOM 0 HG1 THR A 64 -6.057 4.302 -1.017 1.00 1.00 H new ATOM 0 HG21 THR A 64 -7.804 2.652 -2.008 1.00 1.00 H new ATOM 0 HG22 THR A 64 -8.032 1.195 -1.013 1.00 1.00 H new ATOM 0 HG23 THR A 64 -8.882 2.701 -0.593 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.689 3.842 1.795 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.750 4.377 2.590 1.00 1.00 C ATOM 1012 C LYS A 65 -11.102 3.792 2.366 1.00 1.00 C ATOM 1013 O LYS A 65 -11.908 3.685 3.288 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.771 5.914 2.548 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.554 6.610 3.663 1.00 1.00 C ATOM 1016 CD LYS A 65 -10.268 6.086 5.072 1.00 1.00 C ATOM 1017 CE LYS A 65 -11.074 6.781 6.170 1.00 1.00 C ATOM 1018 NZ LYS A 65 -10.631 6.341 7.512 1.00 1.00 N ATOM 0 H LYS A 65 -8.333 4.495 1.097 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.503 4.056 3.602 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -8.742 6.272 2.578 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.189 6.225 1.590 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -10.329 7.676 3.635 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -11.620 6.503 3.460 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -10.480 5.017 5.101 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -9.206 6.206 5.284 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -10.960 7.861 6.081 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.134 6.561 6.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -11.193 6.827 8.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -10.763 5.313 7.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -9.625 6.573 7.639 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.405 3.319 1.144 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.641 2.666 0.846 1.00 1.00 C ATOM 1034 C GLN A 66 -12.705 1.253 1.315 1.00 1.00 C ATOM 1035 O GLN A 66 -13.776 0.650 1.388 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.958 2.785 -0.655 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.366 2.327 -1.037 1.00 1.00 C ATOM 1038 CD GLN A 66 -14.839 2.859 -2.382 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -15.937 3.398 -2.512 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -13.984 2.702 -3.427 1.00 1.00 N ATOM 0 H GLN A 66 -10.776 3.392 0.344 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.413 3.185 1.413 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -12.831 3.824 -0.960 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -12.232 2.196 -1.216 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.391 1.237 -1.058 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -15.065 2.647 -0.264 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -13.081 2.250 -3.284 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -14.246 3.036 -4.355 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.573 0.642 1.704 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.586 -0.667 2.279 1.00 1.00 C ATOM 1051 C GLY A 67 -10.370 -1.450 1.920 1.00 1.00 C ATOM 1052 O GLY A 67 -9.641 -1.933 2.786 1.00 1.00 O ATOM 0 H GLY A 67 -10.645 1.056 1.620 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.657 -0.585 3.364 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.474 -1.202 1.941 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.112 -1.608 0.610 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.024 -2.389 0.108 1.00 1.00 C ATOM 1058 C GLY A 68 -9.411 -3.475 -0.834 1.00 1.00 C ATOM 1059 O GLY A 68 -10.221 -4.346 -0.519 1.00 1.00 O ATOM 0 H GLY A 68 -10.677 -1.179 -0.123 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.322 -1.725 -0.396 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.495 -2.832 0.952 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.811 -3.458 -2.038 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.070 -4.365 -3.113 1.00 1.00 C ATOM 1065 C TYR A 69 -7.788 -5.057 -3.431 1.00 1.00 C ATOM 1066 O TYR A 69 -6.726 -4.678 -2.939 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.580 -3.609 -4.353 1.00 1.00 C ATOM 1068 CG TYR A 69 -10.876 -2.890 -4.211 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.771 -3.078 -3.182 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.223 -2.010 -5.209 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -12.942 -2.361 -3.110 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.400 -1.303 -5.170 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.258 -1.467 -4.106 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.468 -0.748 -4.022 1.00 1.00 O ATOM 0 H TYR A 69 -8.100 -2.766 -2.275 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.839 -5.081 -2.824 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -8.820 -2.885 -4.647 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.674 -4.322 -5.172 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.548 -3.805 -2.415 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.553 -1.871 -6.045 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.611 -2.499 -2.274 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.651 -0.622 -5.970 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.551 -0.155 -4.798 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.798 -6.106 -4.272 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.596 -6.689 -4.783 1.00 1.00 C ATOM 1086 C HIS A 70 -6.475 -6.511 -6.258 1.00 1.00 C ATOM 1087 O HIS A 70 -7.437 -6.196 -6.956 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.391 -8.143 -4.330 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.478 -9.129 -4.641 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -7.656 -9.668 -5.889 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.381 -9.738 -3.826 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -8.627 -10.561 -5.839 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -9.086 -10.618 -4.604 1.00 1.00 N ATOM 0 H HIS A 70 -8.652 -6.556 -4.602 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.770 -6.135 -4.337 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.468 -8.508 -4.781 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.239 -8.140 -3.251 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -7.124 -9.419 -6.723 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.516 -9.562 -2.769 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -8.986 -11.148 -6.672 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.226 -6.627 -6.743 1.00 1.00 N ATOM 1102 CA PHE A 71 -4.735 -6.146 -7.999 1.00 1.00 C ATOM 1103 C PHE A 71 -4.269 -7.310 -8.804 1.00 1.00 C ATOM 1104 O PHE A 71 -3.295 -7.975 -8.452 1.00 1.00 O ATOM 1105 CB PHE A 71 -3.646 -5.159 -7.546 1.00 1.00 C ATOM 1106 CG PHE A 71 -2.692 -4.585 -8.537 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -1.569 -5.289 -8.906 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.807 -3.270 -8.925 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -0.579 -4.700 -9.655 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.816 -2.673 -9.666 1.00 1.00 C ATOM 1111 CZ PHE A 71 -0.712 -3.392 -10.060 1.00 1.00 C ATOM 0 H PHE A 71 -4.496 -7.099 -6.209 1.00 1.00 H new ATOM 0 HA PHE A 71 -5.445 -5.648 -8.660 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.150 -4.323 -7.061 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.054 -5.661 -6.781 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -1.464 -6.320 -8.602 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -3.683 -2.703 -8.645 1.00 1.00 H new ATOM 0 HE1 PHE A 71 0.302 -5.263 -9.925 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -1.905 -1.632 -9.941 1.00 1.00 H new ATOM 0 HZ PHE A 71 0.043 -2.934 -10.681 1.00 1.00 H new ATOM 1121 N ASP A 72 -4.957 -7.606 -9.921 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.775 -8.791 -10.699 1.00 1.00 C ATOM 1123 C ASP A 72 -4.576 -8.401 -12.124 1.00 1.00 C ATOM 1124 O ASP A 72 -4.802 -7.251 -12.496 1.00 1.00 O ATOM 1125 CB ASP A 72 -6.016 -9.696 -10.606 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.229 -10.281 -9.217 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -6.476 -9.544 -8.225 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.223 -11.538 -9.140 1.00 1.00 O ATOM 0 H ASP A 72 -5.675 -6.988 -10.300 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.910 -9.334 -10.319 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.898 -9.122 -10.891 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.919 -10.510 -11.325 1.00 1.00 H new ATOM 1133 N LEU A 73 -4.116 -9.297 -13.016 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.586 -8.918 -14.289 1.00 1.00 C ATOM 1135 C LEU A 73 -4.443 -9.355 -15.426 1.00 1.00 C ATOM 1136 O LEU A 73 -4.710 -10.541 -15.617 1.00 1.00 O ATOM 1137 CB LEU A 73 -2.168 -9.505 -14.391 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.106 -8.622 -15.065 1.00 1.00 C ATOM 1139 CD1 LEU A 73 0.281 -9.275 -14.933 1.00 1.00 C ATOM 1140 CD2 LEU A 73 -1.391 -8.301 -16.543 1.00 1.00 C ATOM 0 H LEU A 73 -4.112 -10.303 -12.850 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.558 -7.831 -14.359 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.824 -9.743 -13.384 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -2.227 -10.446 -14.939 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.136 -7.668 -14.539 1.00 1.00 H new ATOM 0 HD11 LEU A 73 1.028 -8.643 -15.413 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.529 -9.392 -13.878 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.270 -10.253 -15.414 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -0.592 -7.674 -16.940 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -1.442 -9.228 -17.114 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.341 -7.773 -16.624 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.921 -8.414 -16.260 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.537 -8.675 -17.525 1.00 1.00 C ATOM 1154 C LYS A 74 -4.658 -8.202 -18.631 1.00 1.00 C ATOM 1155 O LYS A 74 -4.842 -7.136 -19.218 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.924 -8.017 -17.591 1.00 1.00 C ATOM 1157 CG LYS A 74 -8.035 -8.998 -17.210 1.00 1.00 C ATOM 1158 CD LYS A 74 -8.400 -9.926 -18.370 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.306 -11.106 -18.013 1.00 1.00 C ATOM 1160 NZ LYS A 74 -8.558 -12.183 -17.325 1.00 1.00 N ATOM 0 H LYS A 74 -4.875 -7.419 -16.040 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.674 -9.750 -17.639 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -6.951 -7.158 -16.921 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -7.101 -7.641 -18.599 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.715 -9.594 -16.355 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -8.919 -8.442 -16.898 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -8.891 -9.335 -19.144 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.479 -10.316 -18.803 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -10.118 -10.761 -17.373 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.762 -11.502 -18.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -9.205 -12.965 -17.099 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -7.799 -12.530 -17.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -8.144 -11.811 -16.446 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.640 -9.018 -18.953 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.749 -8.844 -20.059 1.00 1.00 C ATOM 1176 C GLY A 75 -1.757 -7.740 -19.929 1.00 1.00 C ATOM 1177 O GLY A 75 -0.584 -7.952 -19.627 1.00 1.00 O ATOM 0 H GLY A 75 -3.425 -9.852 -18.407 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -2.207 -9.777 -20.214 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -3.344 -8.668 -20.955 1.00 1.00 H new ATOM 1181 N ASP A 76 -2.218 -6.503 -20.191 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.437 -5.307 -20.153 1.00 1.00 C ATOM 1183 C ASP A 76 -1.937 -4.380 -19.099 1.00 1.00 C ATOM 1184 O ASP A 76 -1.316 -3.356 -18.818 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.527 -4.616 -21.524 1.00 1.00 C ATOM 1186 CG ASP A 76 -0.515 -5.192 -22.506 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -0.446 -6.432 -22.714 1.00 1.00 O ATOM 1188 OD2 ASP A 76 0.248 -4.372 -23.082 1.00 1.00 O ATOM 0 H ASP A 76 -3.191 -6.330 -20.443 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.403 -5.565 -19.922 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -2.533 -4.733 -21.926 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.353 -3.546 -21.406 1.00 1.00 H new ATOM 1193 N GLU A 77 -3.083 -4.680 -18.459 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.734 -3.778 -17.561 1.00 1.00 C ATOM 1195 C GLU A 77 -4.028 -4.576 -16.337 1.00 1.00 C ATOM 1196 O GLU A 77 -4.643 -5.639 -16.388 1.00 1.00 O ATOM 1197 CB GLU A 77 -5.045 -3.211 -18.130 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.800 -2.267 -19.311 1.00 1.00 C ATOM 1199 CD GLU A 77 -6.085 -1.713 -19.908 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -6.870 -2.493 -20.510 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -6.269 -0.468 -19.858 1.00 1.00 O ATOM 0 H GLU A 77 -3.568 -5.571 -18.569 1.00 1.00 H new ATOM 0 HA GLU A 77 -3.093 -2.918 -17.370 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -5.686 -4.032 -18.450 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -5.580 -2.677 -17.344 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -4.172 -1.439 -18.982 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -4.246 -2.799 -20.085 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.571 -4.086 -15.171 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.905 -4.720 -13.933 1.00 1.00 C ATOM 1210 C TRP A 78 -5.251 -4.225 -13.528 1.00 1.00 C ATOM 1211 O TRP A 78 -5.458 -3.055 -13.212 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.839 -4.522 -12.842 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.462 -5.077 -13.121 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.467 -4.547 -13.889 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.877 -6.195 -12.427 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.706 -5.224 -13.686 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.480 -6.230 -12.777 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.392 -7.091 -11.533 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.323 -7.147 -12.211 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.535 -8.003 -10.962 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.801 -8.020 -11.287 1.00 1.00 C ATOM 0 H TRP A 78 -2.977 -3.261 -15.084 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.933 -5.801 -14.071 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.742 -3.453 -12.653 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.207 -4.976 -11.922 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.587 -3.711 -14.562 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.598 -5.016 -14.134 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.442 -7.083 -11.282 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.368 -7.184 -12.482 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -0.917 -8.717 -10.247 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.453 -8.734 -10.806 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.243 -5.133 -13.569 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.605 -4.904 -13.197 1.00 1.00 C ATOM 1234 C ILE A 79 -7.732 -5.225 -11.747 1.00 1.00 C ATOM 1235 O ILE A 79 -7.405 -6.301 -11.249 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.577 -5.704 -14.014 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.525 -5.126 -15.438 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -10.003 -5.688 -13.442 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.658 -5.560 -16.367 1.00 1.00 C ATOM 0 H ILE A 79 -6.082 -6.090 -13.883 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.857 -3.861 -13.390 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.295 -6.757 -14.003 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.531 -4.038 -15.370 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -7.576 -5.412 -15.893 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -10.657 -6.284 -14.078 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -9.996 -6.106 -12.435 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -10.369 -4.662 -13.406 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -9.525 -5.096 -17.344 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -9.644 -6.644 -16.476 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -10.614 -5.250 -15.945 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.237 -4.221 -11.007 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.474 -4.354 -9.604 1.00 1.00 C ATOM 1253 C CYS A 80 -9.718 -5.148 -9.403 1.00 1.00 C ATOM 1254 O CYS A 80 -10.774 -4.806 -9.933 1.00 1.00 O ATOM 1255 CB CYS A 80 -8.560 -2.993 -8.892 1.00 1.00 C ATOM 1256 SG CYS A 80 -6.886 -2.321 -8.663 1.00 1.00 S ATOM 0 H CYS A 80 -8.483 -3.307 -11.387 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.627 -4.873 -9.156 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.164 -2.301 -9.479 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.053 -3.106 -7.927 1.00 1.00 H new ATOM 0 HG CYS A 80 -6.934 -1.022 -8.680 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.611 -6.285 -8.691 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.495 -7.399 -8.829 1.00 1.00 C ATOM 1264 C ASP A 81 -11.864 -7.178 -8.280 1.00 1.00 C ATOM 1265 O ASP A 81 -12.859 -7.540 -8.908 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.815 -8.622 -8.193 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.366 -9.926 -8.749 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -10.286 -10.115 -9.993 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.887 -10.769 -7.972 1.00 1.00 O ATOM 0 H ASP A 81 -8.881 -6.433 -7.994 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.668 -7.559 -9.893 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.741 -8.575 -8.372 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.959 -8.597 -7.113 1.00 1.00 H new ATOM 1274 N ARG A 82 -11.978 -6.538 -7.104 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.237 -6.152 -6.547 1.00 1.00 C ATOM 1276 C ARG A 82 -13.801 -5.031 -7.350 1.00 1.00 C ATOM 1277 O ARG A 82 -13.098 -4.078 -7.681 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.121 -5.712 -5.077 1.00 1.00 C ATOM 1279 CG ARG A 82 -12.523 -6.723 -4.096 1.00 1.00 C ATOM 1280 CD ARG A 82 -13.416 -7.918 -3.760 1.00 1.00 C ATOM 1281 NE ARG A 82 -12.820 -8.622 -2.590 1.00 1.00 N ATOM 1282 CZ ARG A 82 -12.982 -8.246 -1.288 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -13.758 -7.195 -0.889 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -12.349 -8.961 -0.313 1.00 1.00 N ATOM 0 H ARG A 82 -11.177 -6.283 -6.526 1.00 1.00 H new ATOM 0 HA ARG A 82 -13.892 -7.023 -6.577 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.516 -4.806 -5.041 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -14.117 -5.445 -4.723 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -11.587 -7.096 -4.511 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -12.277 -6.203 -3.170 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -14.428 -7.585 -3.530 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -13.489 -8.592 -4.614 1.00 1.00 H new ATOM 0 HE ARG A 82 -12.248 -9.446 -2.776 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -14.259 -6.639 -1.582 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -13.837 -6.966 0.102 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -11.767 -9.761 -0.563 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -12.458 -8.696 0.666 1.00 1.00 H new ATOM 1298 N SER A 83 -15.072 -5.157 -7.770 1.00 1.00 N ATOM 1299 CA SER A 83 -15.671 -4.445 -8.856 1.00 1.00 C ATOM 1300 C SER A 83 -15.133 -4.876 -10.177 1.00 1.00 C ATOM 1301 O SER A 83 -15.834 -5.535 -10.945 1.00 1.00 O ATOM 1302 CB SER A 83 -15.717 -2.913 -8.725 1.00 1.00 C ATOM 1303 OG SER A 83 -16.424 -2.284 -9.784 1.00 1.00 O ATOM 0 H SER A 83 -15.724 -5.799 -7.320 1.00 1.00 H new ATOM 0 HA SER A 83 -16.720 -4.737 -8.797 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.185 -2.649 -7.777 1.00 1.00 H new ATOM 0 HB3 SER A 83 -14.698 -2.526 -8.696 1.00 1.00 H new ATOM 0 HG SER A 83 -15.909 -1.518 -10.112 1.00 1.00 H new ATOM 1309 N GLY A 84 -13.875 -4.537 -10.506 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.343 -4.687 -11.826 1.00 1.00 C ATOM 1311 C GLY A 84 -12.911 -3.345 -12.305 1.00 1.00 C ATOM 1312 O GLY A 84 -13.506 -2.758 -13.207 1.00 1.00 O ATOM 0 H GLY A 84 -13.209 -4.148 -9.838 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -12.501 -5.379 -11.821 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.095 -5.106 -12.494 1.00 1.00 H new ATOM 1316 N GLU A 85 -11.852 -2.812 -11.668 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.386 -1.472 -11.843 1.00 1.00 C ATOM 1318 C GLU A 85 -10.040 -1.524 -12.481 1.00 1.00 C ATOM 1319 O GLU A 85 -9.769 -2.380 -13.323 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.376 -0.678 -10.526 1.00 1.00 C ATOM 1321 CG GLU A 85 -12.734 -0.583 -9.827 1.00 1.00 C ATOM 1322 CD GLU A 85 -13.735 0.310 -10.546 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -13.356 1.456 -10.911 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -14.926 -0.089 -10.643 1.00 1.00 O ATOM 0 H GLU A 85 -11.294 -3.342 -10.999 1.00 1.00 H new ATOM 0 HA GLU A 85 -12.075 -0.933 -12.493 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -10.663 -1.141 -9.844 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.015 0.330 -10.728 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -13.155 -1.584 -9.735 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -12.586 -0.205 -8.815 1.00 1.00 H new ATOM 1331 N THR A 86 -9.118 -0.603 -12.151 1.00 1.00 N ATOM 1332 CA THR A 86 -7.992 -0.348 -12.994 1.00 1.00 C ATOM 1333 C THR A 86 -6.849 0.105 -12.151 1.00 1.00 C ATOM 1334 O THR A 86 -7.055 0.988 -11.318 1.00 1.00 O ATOM 1335 CB THR A 86 -8.302 0.816 -13.888 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.436 0.566 -14.707 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.151 1.137 -14.856 1.00 1.00 C ATOM 0 H THR A 86 -9.152 -0.036 -11.303 1.00 1.00 H new ATOM 0 HA THR A 86 -7.763 -1.254 -13.556 1.00 1.00 H new ATOM 0 HB THR A 86 -8.478 1.648 -13.206 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.608 1.346 -15.274 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.427 1.987 -15.480 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.254 1.381 -14.287 1.00 1.00 H new ATOM 0 HG23 THR A 86 -6.955 0.271 -15.488 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.619 -0.406 -12.327 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.447 -0.054 -11.587 1.00 1.00 C ATOM 1347 C PHE A 87 -4.190 1.364 -11.214 1.00 1.00 C ATOM 1348 O PHE A 87 -4.522 1.797 -10.112 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.161 -0.696 -12.138 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.747 -0.579 -13.564 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -3.485 -0.038 -14.591 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.502 -1.082 -13.859 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -3.005 -0.020 -15.879 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -1.004 -1.063 -15.142 1.00 1.00 C ATOM 1355 CZ PHE A 87 -1.763 -0.536 -16.160 1.00 1.00 C ATOM 0 H PHE A 87 -5.430 -1.115 -13.036 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.735 -0.496 -10.633 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -2.338 -0.301 -11.543 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.229 -1.762 -11.921 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -4.459 0.380 -14.382 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.901 -1.502 -13.066 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -3.606 0.401 -16.672 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -0.021 -1.460 -15.348 1.00 1.00 H new ATOM 0 HZ PHE A 87 -1.386 -0.528 -17.172 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.560 2.156 -12.102 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.130 3.487 -11.803 1.00 1.00 C ATOM 1367 C TRP A 88 -4.257 4.443 -11.617 1.00 1.00 C ATOM 1368 O TRP A 88 -4.163 5.390 -10.837 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.210 4.004 -12.922 1.00 1.00 C ATOM 1370 CG TRP A 88 -0.967 3.196 -13.209 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.684 2.586 -14.396 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.164 2.956 -12.350 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.559 2.010 -14.346 1.00 1.00 N ATOM 1374 CE2 TRP A 88 1.094 2.223 -13.097 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.443 3.309 -11.058 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.293 1.843 -12.562 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.623 2.870 -10.506 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.539 2.160 -11.247 1.00 1.00 C ATOM 0 H TRP A 88 -3.344 1.862 -13.054 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.594 3.432 -10.855 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.794 4.067 -13.840 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.904 5.019 -12.669 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.343 2.561 -15.251 1.00 1.00 H new ATOM 0 HE1 TRP A 88 1.012 1.507 -15.109 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.245 3.916 -10.488 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 3.024 1.311 -13.153 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 1.835 3.087 -9.470 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.465 1.847 -10.789 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.397 4.212 -12.291 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.578 5.002 -12.136 1.00 1.00 C ATOM 1391 C ASP A 89 -7.266 4.797 -10.830 1.00 1.00 C ATOM 1392 O ASP A 89 -7.730 5.760 -10.220 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.556 4.713 -13.287 1.00 1.00 C ATOM 1394 CG ASP A 89 -7.092 5.361 -14.584 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -7.072 6.618 -14.676 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -6.826 4.601 -15.552 1.00 1.00 O ATOM 0 H ASP A 89 -5.500 3.453 -12.964 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.256 6.043 -12.159 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.646 3.636 -13.428 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.547 5.085 -13.027 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.340 3.567 -10.293 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.914 3.329 -9.005 1.00 1.00 C ATOM 1403 C LEU A 90 -7.052 3.899 -7.932 1.00 1.00 C ATOM 1404 O LEU A 90 -7.515 4.554 -7.000 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.107 1.839 -8.675 1.00 1.00 C ATOM 1406 CG LEU A 90 -8.797 1.586 -7.324 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.264 2.049 -7.316 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -8.712 0.111 -6.894 1.00 1.00 C ATOM 0 H LEU A 90 -6.997 2.726 -10.758 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.892 3.809 -9.044 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.696 1.375 -9.466 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.134 1.348 -8.673 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.248 2.188 -6.599 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -10.704 1.847 -6.339 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.309 3.119 -7.520 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -10.820 1.509 -8.083 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -9.213 -0.018 -5.935 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -9.197 -0.515 -7.643 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -7.666 -0.181 -6.799 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.732 3.674 -8.060 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.691 4.239 -7.258 1.00 1.00 C ATOM 1422 C LEU A 91 -4.799 5.717 -7.105 1.00 1.00 C ATOM 1423 O LEU A 91 -4.782 6.229 -5.987 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.326 3.837 -7.841 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.081 4.255 -7.038 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -0.920 3.290 -7.329 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.607 5.691 -7.322 1.00 1.00 C ATOM 0 H LEU A 91 -5.366 3.050 -8.779 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.796 3.835 -6.251 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.310 2.753 -7.954 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.245 4.263 -8.841 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.379 4.215 -5.990 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -0.043 3.593 -6.757 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -1.208 2.278 -7.044 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -0.685 3.314 -8.393 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.726 5.910 -6.718 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.356 5.789 -8.378 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -2.402 6.393 -7.071 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.951 6.440 -8.228 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.239 7.839 -8.312 1.00 1.00 C ATOM 1441 C GLU A 92 -6.463 8.231 -7.558 1.00 1.00 C ATOM 1442 O GLU A 92 -6.407 9.034 -6.628 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.375 8.267 -9.783 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.594 9.764 -10.015 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.876 10.069 -11.479 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -7.061 9.946 -11.886 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -4.939 10.429 -12.241 1.00 1.00 O ATOM 0 H GLU A 92 -4.866 6.012 -9.150 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.399 8.356 -7.848 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.475 7.962 -10.317 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.209 7.722 -10.226 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -6.428 10.109 -9.404 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.711 10.316 -9.691 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.618 7.629 -7.889 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.901 7.821 -7.285 1.00 1.00 C ATOM 1456 C GLN A 93 -8.910 7.709 -5.801 1.00 1.00 C ATOM 1457 O GLN A 93 -9.423 8.567 -5.083 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.837 6.779 -7.920 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.336 6.946 -7.665 1.00 1.00 C ATOM 1460 CD GLN A 93 -12.088 5.759 -8.251 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.377 4.784 -7.559 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.423 5.799 -9.568 1.00 1.00 N ATOM 0 H GLN A 93 -7.657 6.947 -8.647 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.226 8.844 -7.472 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.673 6.789 -8.998 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -9.540 5.793 -7.561 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -11.527 7.018 -6.594 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -11.691 7.873 -8.116 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -12.178 6.613 -10.132 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -12.919 5.015 -9.992 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.287 6.634 -5.285 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.063 6.340 -3.903 1.00 1.00 C ATOM 1473 C ALA A 94 -7.144 7.288 -3.214 1.00 1.00 C ATOM 1474 O ALA A 94 -7.439 7.771 -2.122 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.513 4.908 -3.807 1.00 1.00 C ATOM 0 H ALA A 94 -7.907 5.907 -5.891 1.00 1.00 H new ATOM 0 HA ALA A 94 -9.018 6.445 -3.388 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.333 4.657 -2.762 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.238 4.211 -4.228 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.578 4.839 -4.363 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.993 7.639 -3.817 1.00 1.00 N ATOM 1482 CA ALA A 95 -5.053 8.577 -3.287 1.00 1.00 C ATOM 1483 C ALA A 95 -5.614 9.952 -3.156 1.00 1.00 C ATOM 1484 O ALA A 95 -5.470 10.614 -2.130 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.799 8.641 -4.175 1.00 1.00 C ATOM 0 H ALA A 95 -5.705 7.251 -4.715 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.800 8.220 -2.289 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -3.094 9.360 -3.757 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.332 7.657 -4.217 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -4.081 8.952 -5.181 1.00 1.00 H new ATOM 1491 N THR A 96 -6.341 10.408 -4.192 1.00 1.00 N ATOM 1492 CA THR A 96 -7.133 11.598 -4.208 1.00 1.00 C ATOM 1493 C THR A 96 -8.151 11.666 -3.121 1.00 1.00 C ATOM 1494 O THR A 96 -8.260 12.701 -2.467 1.00 1.00 O ATOM 1495 CB THR A 96 -7.756 11.820 -5.555 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.745 12.227 -6.464 1.00 1.00 O ATOM 1497 CG2 THR A 96 -8.804 12.945 -5.587 1.00 1.00 C ATOM 0 H THR A 96 -6.377 9.909 -5.081 1.00 1.00 H new ATOM 0 HA THR A 96 -6.438 12.414 -4.007 1.00 1.00 H new ATOM 0 HB THR A 96 -8.239 10.877 -5.811 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.280 13.012 -6.106 1.00 1.00 H new ATOM 0 HG21 THR A 96 -9.205 13.040 -6.596 1.00 1.00 H new ATOM 0 HG22 THR A 96 -9.613 12.708 -4.896 1.00 1.00 H new ATOM 0 HG23 THR A 96 -8.338 13.885 -5.292 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.891 10.584 -2.816 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.828 10.618 -1.736 1.00 1.00 C ATOM 1507 C GLN A 97 -9.218 10.621 -0.376 1.00 1.00 C ATOM 1508 O GLN A 97 -9.775 11.188 0.563 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.941 9.561 -1.832 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.638 8.147 -1.335 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.843 7.222 -1.445 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -12.283 6.601 -0.479 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -12.403 7.091 -2.678 1.00 1.00 N ATOM 0 H GLN A 97 -8.842 9.694 -3.312 1.00 1.00 H new ATOM 0 HA GLN A 97 -10.297 11.593 -1.867 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.802 9.932 -1.276 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -11.243 9.489 -2.877 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -9.811 7.732 -1.911 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -10.312 8.192 -0.296 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -12.025 7.614 -3.468 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.201 6.470 -2.812 1.00 1.00 H new ATOM 1522 N GLN A 98 -8.021 10.030 -0.214 1.00 1.00 N ATOM 1523 CA GLN A 98 -7.244 10.115 0.983 1.00 1.00 C ATOM 1524 C GLN A 98 -6.749 11.499 1.230 1.00 1.00 C ATOM 1525 O GLN A 98 -7.026 12.096 2.268 1.00 1.00 O ATOM 1526 CB GLN A 98 -6.044 9.156 0.907 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.396 7.666 0.883 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.282 6.999 2.245 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -6.416 7.597 3.312 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -6.021 5.664 2.222 1.00 1.00 N ATOM 0 H GLN A 98 -7.578 9.472 -0.944 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.896 9.833 1.810 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -5.469 9.391 0.011 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.394 9.345 1.762 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -7.414 7.546 0.512 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.738 7.156 0.180 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -5.912 5.181 1.330 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -5.934 5.146 3.096 1.00 1.00 H new ATOM 1539 N ALA A 99 -6.002 12.072 0.270 1.00 1.00 N ATOM 1540 CA ALA A 99 -5.321 13.322 0.407 1.00 1.00 C ATOM 1541 C ALA A 99 -6.162 14.539 0.232 1.00 1.00 C ATOM 1542 O ALA A 99 -6.062 15.482 1.016 1.00 1.00 O ATOM 1543 CB ALA A 99 -4.187 13.378 -0.630 1.00 1.00 C ATOM 0 H ALA A 99 -5.866 11.643 -0.645 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.969 13.346 1.438 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.657 14.326 -0.539 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -3.493 12.556 -0.455 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -4.606 13.292 -1.632 1.00 1.00 H new ATOM 1549 N GLY A 100 -7.009 14.594 -0.811 1.00 1.00 N ATOM 1550 CA GLY A 100 -7.688 15.782 -1.227 1.00 1.00 C ATOM 1551 C GLY A 100 -6.876 16.584 -2.185 1.00 1.00 C ATOM 1552 O GLY A 100 -6.702 17.790 -2.020 1.00 1.00 O ATOM 0 H GLY A 100 -7.229 13.781 -1.386 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -8.636 15.513 -1.692 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -7.923 16.390 -0.353 1.00 1.00 H new ATOM 1556 N GLU A 101 -6.345 15.925 -3.233 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.479 16.502 -4.212 1.00 1.00 C ATOM 1558 C GLU A 101 -5.446 15.546 -5.355 1.00 1.00 C ATOM 1559 O GLU A 101 -5.763 14.372 -5.168 1.00 1.00 O ATOM 1560 CB GLU A 101 -4.067 16.737 -3.648 1.00 1.00 C ATOM 1561 CG GLU A 101 -3.005 17.179 -4.657 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.738 17.782 -4.070 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -1.815 18.860 -3.423 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -0.628 17.246 -4.335 1.00 1.00 O ATOM 0 H GLU A 101 -6.531 14.937 -3.404 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.845 17.480 -4.524 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -4.132 17.492 -2.865 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -3.728 15.815 -3.175 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.726 16.317 -5.263 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -3.453 17.910 -5.330 1.00 1.00 H new ATOM 1571 N THR A 102 -5.071 15.944 -6.583 1.00 1.00 N ATOM 1572 CA THR A 102 -4.754 15.006 -7.616 1.00 1.00 C ATOM 1573 C THR A 102 -3.450 14.340 -7.340 1.00 1.00 C ATOM 1574 O THR A 102 -2.382 14.888 -7.612 1.00 1.00 O ATOM 1575 CB THR A 102 -4.637 15.570 -9.000 1.00 1.00 C ATOM 1576 OG1 THR A 102 -5.814 16.280 -9.359 1.00 1.00 O ATOM 1577 CG2 THR A 102 -4.468 14.446 -10.037 1.00 1.00 C ATOM 0 H THR A 102 -4.987 16.921 -6.863 1.00 1.00 H new ATOM 0 HA THR A 102 -5.605 14.326 -7.597 1.00 1.00 H new ATOM 0 HB THR A 102 -3.770 16.231 -8.996 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.715 16.641 -10.265 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.385 14.880 -11.034 1.00 1.00 H new ATOM 0 HG22 THR A 102 -3.566 13.877 -9.813 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.333 13.784 -10.000 1.00 1.00 H new ATOM 1585 N VAL A 103 -3.477 13.115 -6.786 1.00 1.00 N ATOM 1586 CA VAL A 103 -2.298 12.354 -6.509 1.00 1.00 C ATOM 1587 C VAL A 103 -2.319 11.216 -7.471 1.00 1.00 C ATOM 1588 O VAL A 103 -3.190 10.349 -7.422 1.00 1.00 O ATOM 1589 CB VAL A 103 -2.254 11.836 -5.101 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.927 11.103 -4.843 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -2.417 12.998 -4.108 1.00 1.00 C ATOM 0 H VAL A 103 -4.341 12.641 -6.524 1.00 1.00 H new ATOM 0 HA VAL A 103 -1.415 12.984 -6.617 1.00 1.00 H new ATOM 0 HB VAL A 103 -3.074 11.132 -4.961 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.909 10.733 -3.818 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.834 10.265 -5.533 1.00 1.00 H new ATOM 0 HG13 VAL A 103 -0.096 11.791 -4.995 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -2.384 12.613 -3.089 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -1.609 13.715 -4.251 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -3.374 13.491 -4.279 1.00 1.00 H new ATOM 1601 N SER A 104 -1.367 11.198 -8.421 1.00 1.00 N ATOM 1602 CA SER A 104 -1.377 10.276 -9.515 1.00 1.00 C ATOM 1603 C SER A 104 0.014 9.825 -9.801 1.00 1.00 C ATOM 1604 O SER A 104 0.977 10.276 -9.181 1.00 1.00 O ATOM 1605 CB SER A 104 -2.003 10.881 -10.781 1.00 1.00 C ATOM 1606 OG SER A 104 -2.355 9.892 -11.739 1.00 1.00 O ATOM 0 H SER A 104 -0.573 11.838 -8.430 1.00 1.00 H new ATOM 0 HA SER A 104 -1.994 9.425 -9.224 1.00 1.00 H new ATOM 0 HB2 SER A 104 -2.892 11.450 -10.507 1.00 1.00 H new ATOM 0 HB3 SER A 104 -1.301 11.584 -11.230 1.00 1.00 H new ATOM 0 HG SER A 104 -3.210 10.129 -12.155 1.00 1.00 H new ATOM 1612 N PHE A 105 0.162 8.895 -10.760 1.00 1.00 N ATOM 1613 CA PHE A 105 1.415 8.418 -11.258 1.00 1.00 C ATOM 1614 C PHE A 105 1.614 8.862 -12.667 1.00 1.00 C ATOM 1615 O PHE A 105 2.725 8.786 -13.191 1.00 1.00 O ATOM 1616 CB PHE A 105 1.441 6.881 -11.223 1.00 1.00 C ATOM 1617 CG PHE A 105 2.023 6.375 -9.947 1.00 1.00 C ATOM 1618 CD1 PHE A 105 1.414 6.603 -8.738 1.00 1.00 C ATOM 1619 CD2 PHE A 105 3.194 5.654 -9.977 1.00 1.00 C ATOM 1620 CE1 PHE A 105 1.967 6.131 -7.571 1.00 1.00 C ATOM 1621 CE2 PHE A 105 3.754 5.174 -8.816 1.00 1.00 C ATOM 1622 CZ PHE A 105 3.147 5.426 -7.609 1.00 1.00 C ATOM 0 H PHE A 105 -0.637 8.451 -11.213 1.00 1.00 H new ATOM 0 HA PHE A 105 2.209 8.821 -10.630 1.00 1.00 H new ATOM 0 HB2 PHE A 105 0.428 6.496 -11.340 1.00 1.00 H new ATOM 0 HB3 PHE A 105 2.024 6.506 -12.064 1.00 1.00 H new ATOM 0 HD1 PHE A 105 0.489 7.160 -8.703 1.00 1.00 H new ATOM 0 HD2 PHE A 105 3.679 5.463 -10.923 1.00 1.00 H new ATOM 0 HE1 PHE A 105 1.476 6.314 -6.627 1.00 1.00 H new ATOM 0 HE2 PHE A 105 4.668 4.601 -8.853 1.00 1.00 H new ATOM 0 HZ PHE A 105 3.596 5.071 -6.693 1.00 1.00 H new ATOM 1632 N ARG A 106 0.561 9.332 -13.359 1.00 1.00 N ATOM 1633 CA ARG A 106 0.659 9.715 -14.734 1.00 1.00 C ATOM 1634 C ARG A 106 0.902 11.210 -14.882 1.00 1.00 C ATOM 1635 O ARG A 106 1.955 11.590 -15.461 1.00 1.00 O ATOM 1636 CB ARG A 106 -0.578 9.264 -15.528 1.00 1.00 C ATOM 1637 CG ARG A 106 -0.742 7.747 -15.654 1.00 1.00 C ATOM 1638 CD ARG A 106 0.445 7.045 -16.316 1.00 1.00 C ATOM 1639 NE ARG A 106 0.078 5.623 -16.569 1.00 1.00 N ATOM 1640 CZ ARG A 106 1.000 4.661 -16.863 1.00 1.00 C ATOM 1641 NH1 ARG A 106 2.338 4.856 -16.673 1.00 1.00 N ATOM 1642 NH2 ARG A 106 0.577 3.473 -17.386 1.00 1.00 N ATOM 1643 OXT ARG A 106 0.071 12.036 -14.421 1.00 1.00 O ATOM 0 H ARG A 106 -0.370 9.448 -12.960 1.00 1.00 H new ATOM 0 HA ARG A 106 1.525 9.204 -15.155 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -1.468 9.673 -15.050 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -0.527 9.694 -16.528 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -0.893 7.325 -14.661 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -1.643 7.536 -16.230 1.00 1.00 H new ATOM 0 HD2 ARG A 106 0.703 7.541 -17.252 1.00 1.00 H new ATOM 0 HD3 ARG A 106 1.323 7.100 -15.673 1.00 1.00 H new ATOM 0 HE ARG A 106 -0.906 5.357 -16.520 1.00 1.00 H new ATOM 0 HH11 ARG A 106 2.676 5.743 -16.300 1.00 1.00 H new ATOM 0 HH12 ARG A 106 2.999 4.114 -16.904 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -0.417 3.314 -17.552 1.00 1.00 H new ATOM 0 HH22 ARG A 106 1.255 2.745 -17.611 1.00 1.00 H new TER 1657 ARG A 106