USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 785 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 66 GLN : amide:sc= 0.164 X(o=1.3,f=0.93) USER MOD Set 1.2: A 69 TYR OH : rot 146:sc= 0.174 USER MOD Set 1.3: A 83 SER OG : rot -102:sc= 0.928 USER MOD Set 2.1: A 59 GLN : amide:sc= 1.93 K(o=1.2,f=-6.2) USER MOD Set 2.2: A 70 HIS : no HE2:sc= -0.695 K(o=1.2,f=-8.5!) USER MOD Single : A 2 ASN : amide:sc= 0.749 K(o=0.75,f=-3!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.61) USER MOD Single : A 12 GLN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 16 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -52:sc= 0.625 USER MOD Single : A 35 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 40 THR OG1 : rot 138:sc= 1.2 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.313 K(o=0.31,f=-4!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 58 HIS : no HE2:sc= -4.68! K(o=-4.7!,f=-3) USER MOD Single : A 64 THR OG1 : rot 120:sc= -0.141 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -46:sc= -0.108 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) USER MOD Single : A 96 THR OG1 : rot -35:sc= 1.08 USER MOD Single : A 97 GLN : amide:sc=-0.00556 K(o=-0.0056,f=-1.2) USER MOD Single : A 98 GLN : amide:sc= -0.716 K(o=-0.72,f=-2.4) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -175:sc= 0.725 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 5.580 -19.665 -10.726 1.00 1.00 N ATOM 18 CA ASN A 2 4.873 -18.426 -10.622 1.00 1.00 C ATOM 19 C ASN A 2 5.610 -17.422 -9.804 1.00 1.00 C ATOM 20 O ASN A 2 5.627 -16.236 -10.129 1.00 1.00 O ATOM 21 CB ASN A 2 3.422 -18.574 -10.134 1.00 1.00 C ATOM 22 CG ASN A 2 3.254 -19.142 -8.732 1.00 1.00 C ATOM 23 OD1 ASN A 2 2.871 -18.415 -7.817 1.00 1.00 O ATOM 24 ND2 ASN A 2 3.510 -20.463 -8.537 1.00 1.00 N ATOM 0 HA ASN A 2 4.814 -18.054 -11.645 1.00 1.00 H new ATOM 0 HB2 ASN A 2 2.944 -17.595 -10.170 1.00 1.00 H new ATOM 0 HB3 ASN A 2 2.886 -19.216 -10.833 1.00 1.00 H new ATOM 0 HD21 ASN A 2 3.385 -20.876 -7.613 1.00 1.00 H new ATOM 0 HD22 ASN A 2 3.827 -21.041 -9.315 1.00 1.00 H new ATOM 31 N ASP A 3 6.244 -17.856 -8.700 1.00 1.00 N ATOM 32 CA ASP A 3 6.886 -17.046 -7.711 1.00 1.00 C ATOM 33 C ASP A 3 7.930 -16.125 -8.240 1.00 1.00 C ATOM 34 O ASP A 3 7.914 -14.934 -7.935 1.00 1.00 O ATOM 35 CB ASP A 3 7.523 -17.922 -6.618 1.00 1.00 C ATOM 36 CG ASP A 3 6.503 -18.796 -5.901 1.00 1.00 C ATOM 37 OD1 ASP A 3 6.030 -19.797 -6.501 1.00 1.00 O ATOM 38 OD2 ASP A 3 6.217 -18.526 -4.704 1.00 1.00 O ATOM 0 H ASP A 3 6.312 -18.850 -8.483 1.00 1.00 H new ATOM 0 HA ASP A 3 6.086 -16.425 -7.307 1.00 1.00 H new ATOM 0 HB2 ASP A 3 8.289 -18.556 -7.066 1.00 1.00 H new ATOM 0 HB3 ASP A 3 8.024 -17.283 -5.891 1.00 1.00 H new ATOM 43 N SER A 4 8.861 -16.624 -9.074 1.00 1.00 N ATOM 44 CA SER A 4 9.906 -15.867 -9.690 1.00 1.00 C ATOM 45 C SER A 4 9.428 -14.655 -10.413 1.00 1.00 C ATOM 46 O SER A 4 9.848 -13.536 -10.123 1.00 1.00 O ATOM 47 CB SER A 4 10.741 -16.686 -10.687 1.00 1.00 C ATOM 48 OG SER A 4 11.242 -17.873 -10.088 1.00 1.00 O ATOM 0 H SER A 4 8.885 -17.611 -9.332 1.00 1.00 H new ATOM 0 HA SER A 4 10.520 -15.566 -8.841 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.130 -16.943 -11.552 1.00 1.00 H new ATOM 0 HB3 SER A 4 11.572 -16.082 -11.052 1.00 1.00 H new ATOM 0 HG SER A 4 11.768 -18.375 -10.746 1.00 1.00 H new ATOM 54 N GLU A 5 8.469 -14.845 -11.336 1.00 1.00 N ATOM 55 CA GLU A 5 7.823 -13.813 -12.087 1.00 1.00 C ATOM 56 C GLU A 5 7.167 -12.806 -11.206 1.00 1.00 C ATOM 57 O GLU A 5 7.517 -11.626 -11.240 1.00 1.00 O ATOM 58 CB GLU A 5 6.791 -14.376 -13.077 1.00 1.00 C ATOM 59 CG GLU A 5 7.400 -15.251 -14.175 1.00 1.00 C ATOM 60 CD GLU A 5 6.343 -15.693 -15.177 1.00 1.00 C ATOM 61 OE1 GLU A 5 5.857 -14.852 -15.979 1.00 1.00 O ATOM 62 OE2 GLU A 5 5.963 -16.894 -15.162 1.00 1.00 O ATOM 0 H GLU A 5 8.124 -15.775 -11.572 1.00 1.00 H new ATOM 0 HA GLU A 5 8.614 -13.320 -12.652 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.055 -14.961 -12.526 1.00 1.00 H new ATOM 0 HB3 GLU A 5 6.257 -13.547 -13.541 1.00 1.00 H new ATOM 0 HG2 GLU A 5 8.185 -14.698 -14.691 1.00 1.00 H new ATOM 0 HG3 GLU A 5 7.869 -16.127 -13.727 1.00 1.00 H new ATOM 69 N PHE A 6 6.224 -13.215 -10.341 1.00 1.00 N ATOM 70 CA PHE A 6 5.563 -12.316 -9.447 1.00 1.00 C ATOM 71 C PHE A 6 6.436 -11.526 -8.533 1.00 1.00 C ATOM 72 O PHE A 6 6.188 -10.342 -8.315 1.00 1.00 O ATOM 73 CB PHE A 6 4.534 -13.112 -8.628 1.00 1.00 C ATOM 74 CG PHE A 6 3.388 -12.247 -8.232 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.693 -11.539 -9.185 1.00 1.00 C ATOM 76 CD2 PHE A 6 2.996 -12.168 -6.916 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.623 -10.754 -8.831 1.00 1.00 C ATOM 78 CE2 PHE A 6 1.938 -11.370 -6.553 1.00 1.00 C ATOM 79 CZ PHE A 6 1.261 -10.649 -7.508 1.00 1.00 C ATOM 0 H PHE A 6 5.915 -14.184 -10.260 1.00 1.00 H new ATOM 0 HA PHE A 6 5.100 -11.562 -10.084 1.00 1.00 H new ATOM 0 HB2 PHE A 6 4.172 -13.957 -9.214 1.00 1.00 H new ATOM 0 HB3 PHE A 6 5.010 -13.522 -7.737 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.991 -11.601 -10.221 1.00 1.00 H new ATOM 0 HD2 PHE A 6 3.523 -12.736 -6.164 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.068 -10.221 -9.589 1.00 1.00 H new ATOM 0 HE2 PHE A 6 1.638 -11.309 -5.517 1.00 1.00 H new ATOM 0 HZ PHE A 6 0.446 -10.001 -7.220 1.00 1.00 H new ATOM 89 N HIS A 7 7.506 -12.124 -7.980 1.00 1.00 N ATOM 90 CA HIS A 7 8.423 -11.467 -7.098 1.00 1.00 C ATOM 91 C HIS A 7 9.236 -10.413 -7.766 1.00 1.00 C ATOM 92 O HIS A 7 9.381 -9.317 -7.229 1.00 1.00 O ATOM 93 CB HIS A 7 9.376 -12.450 -6.398 1.00 1.00 C ATOM 94 CG HIS A 7 8.642 -13.442 -5.546 1.00 1.00 C ATOM 95 ND1 HIS A 7 9.283 -14.348 -4.742 1.00 1.00 N ATOM 96 CD2 HIS A 7 7.310 -13.682 -5.420 1.00 1.00 C ATOM 97 CE1 HIS A 7 8.381 -15.108 -4.148 1.00 1.00 C ATOM 98 NE2 HIS A 7 7.179 -14.730 -4.548 1.00 1.00 N ATOM 0 H HIS A 7 7.742 -13.101 -8.153 1.00 1.00 H new ATOM 0 HA HIS A 7 7.783 -10.991 -6.355 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.962 -12.981 -7.148 1.00 1.00 H new ATOM 0 HB3 HIS A 7 10.080 -11.893 -5.779 1.00 1.00 H new ATOM 0 HD2 HIS A 7 6.510 -13.149 -5.912 1.00 1.00 H new ATOM 0 HE1 HIS A 7 8.591 -15.906 -3.451 1.00 1.00 H new ATOM 0 HE2 HIS A 7 6.297 -15.151 -4.255 1.00 1.00 H new ATOM 106 N ARG A 8 9.775 -10.673 -8.970 1.00 1.00 N ATOM 107 CA ARG A 8 10.544 -9.711 -9.699 1.00 1.00 C ATOM 108 C ARG A 8 9.703 -8.602 -10.233 1.00 1.00 C ATOM 109 O ARG A 8 10.070 -7.431 -10.153 1.00 1.00 O ATOM 110 CB ARG A 8 11.345 -10.380 -10.828 1.00 1.00 C ATOM 111 CG ARG A 8 12.727 -10.913 -10.444 1.00 1.00 C ATOM 112 CD ARG A 8 12.784 -11.866 -9.247 1.00 1.00 C ATOM 113 NE ARG A 8 14.004 -12.711 -9.373 1.00 1.00 N ATOM 114 CZ ARG A 8 15.255 -12.395 -8.929 1.00 1.00 C ATOM 115 NH1 ARG A 8 15.544 -11.264 -8.222 1.00 1.00 N ATOM 116 NH2 ARG A 8 16.272 -13.262 -9.207 1.00 1.00 N ATOM 0 H ARG A 8 9.675 -11.569 -9.447 1.00 1.00 H new ATOM 0 HA ARG A 8 11.247 -9.271 -8.992 1.00 1.00 H new ATOM 0 HB2 ARG A 8 10.756 -11.207 -11.224 1.00 1.00 H new ATOM 0 HB3 ARG A 8 11.467 -9.659 -11.637 1.00 1.00 H new ATOM 0 HG2 ARG A 8 13.147 -11.426 -11.309 1.00 1.00 H new ATOM 0 HG3 ARG A 8 13.374 -10.062 -10.233 1.00 1.00 H new ATOM 0 HD2 ARG A 8 12.809 -11.302 -8.315 1.00 1.00 H new ATOM 0 HD3 ARG A 8 11.892 -12.491 -9.218 1.00 1.00 H new ATOM 0 HE ARG A 8 13.894 -13.613 -9.836 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.803 -10.599 -7.998 1.00 1.00 H new ATOM 0 HH12 ARG A 8 16.501 -11.083 -7.917 1.00 1.00 H new ATOM 0 HH21 ARG A 8 16.085 -14.116 -9.732 1.00 1.00 H new ATOM 0 HH22 ARG A 8 17.219 -13.056 -8.890 1.00 1.00 H new ATOM 130 N LEU A 9 8.503 -8.889 -10.770 1.00 1.00 N ATOM 131 CA LEU A 9 7.570 -7.893 -11.199 1.00 1.00 C ATOM 132 C LEU A 9 7.087 -7.015 -10.096 1.00 1.00 C ATOM 133 O LEU A 9 6.976 -5.803 -10.275 1.00 1.00 O ATOM 134 CB LEU A 9 6.376 -8.565 -11.898 1.00 1.00 C ATOM 135 CG LEU A 9 6.708 -9.221 -13.249 1.00 1.00 C ATOM 136 CD1 LEU A 9 5.522 -10.068 -13.740 1.00 1.00 C ATOM 137 CD2 LEU A 9 7.095 -8.195 -14.326 1.00 1.00 C ATOM 0 H LEU A 9 8.172 -9.844 -10.910 1.00 1.00 H new ATOM 0 HA LEU A 9 8.103 -7.246 -11.896 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.963 -9.324 -11.233 1.00 1.00 H new ATOM 0 HB3 LEU A 9 5.597 -7.819 -12.054 1.00 1.00 H new ATOM 0 HG LEU A 9 7.574 -9.861 -13.082 1.00 1.00 H new ATOM 0 HD11 LEU A 9 5.773 -10.525 -14.697 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.306 -10.848 -13.011 1.00 1.00 H new ATOM 0 HD13 LEU A 9 4.646 -9.431 -13.861 1.00 1.00 H new ATOM 0 HD21 LEU A 9 7.319 -8.713 -15.258 1.00 1.00 H new ATOM 0 HD22 LEU A 9 6.267 -7.504 -14.485 1.00 1.00 H new ATOM 0 HD23 LEU A 9 7.974 -7.639 -14.000 1.00 1.00 H new ATOM 149 N ALA A 10 6.846 -7.590 -8.904 1.00 1.00 N ATOM 150 CA ALA A 10 6.527 -6.885 -7.702 1.00 1.00 C ATOM 151 C ALA A 10 7.595 -5.932 -7.292 1.00 1.00 C ATOM 152 O ALA A 10 7.313 -4.745 -7.130 1.00 1.00 O ATOM 153 CB ALA A 10 6.241 -7.833 -6.525 1.00 1.00 C ATOM 0 H ALA A 10 6.876 -8.601 -8.773 1.00 1.00 H new ATOM 0 HA ALA A 10 5.624 -6.323 -7.941 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.004 -7.248 -5.636 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.396 -8.476 -6.772 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.120 -8.448 -6.331 1.00 1.00 H new ATOM 159 N ASP A 11 8.854 -6.391 -7.169 1.00 1.00 N ATOM 160 CA ASP A 11 10.028 -5.642 -6.846 1.00 1.00 C ATOM 161 C ASP A 11 10.156 -4.389 -7.643 1.00 1.00 C ATOM 162 O ASP A 11 10.219 -3.281 -7.115 1.00 1.00 O ATOM 163 CB ASP A 11 11.219 -6.591 -7.058 1.00 1.00 C ATOM 164 CG ASP A 11 12.550 -6.160 -6.459 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.595 -5.308 -5.531 1.00 1.00 O ATOM 166 OD2 ASP A 11 13.579 -6.737 -6.899 1.00 1.00 O ATOM 0 H ASP A 11 9.067 -7.379 -7.309 1.00 1.00 H new ATOM 0 HA ASP A 11 9.983 -5.297 -5.813 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.957 -7.564 -6.642 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.357 -6.730 -8.130 1.00 1.00 H new ATOM 171 N GLN A 12 10.119 -4.529 -8.981 1.00 1.00 N ATOM 172 CA GLN A 12 10.096 -3.451 -9.920 1.00 1.00 C ATOM 173 C GLN A 12 9.006 -2.449 -9.751 1.00 1.00 C ATOM 174 O GLN A 12 9.264 -1.248 -9.696 1.00 1.00 O ATOM 175 CB GLN A 12 10.097 -4.056 -11.334 1.00 1.00 C ATOM 176 CG GLN A 12 11.371 -4.879 -11.540 1.00 1.00 C ATOM 177 CD GLN A 12 11.438 -5.508 -12.926 1.00 1.00 C ATOM 178 OE1 GLN A 12 12.082 -5.009 -13.846 1.00 1.00 O ATOM 179 NE2 GLN A 12 10.773 -6.686 -13.071 1.00 1.00 N ATOM 0 H GLN A 12 10.104 -5.444 -9.431 1.00 1.00 H new ATOM 0 HA GLN A 12 10.990 -2.857 -9.733 1.00 1.00 H new ATOM 0 HB2 GLN A 12 9.219 -4.687 -11.471 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.040 -3.263 -12.080 1.00 1.00 H new ATOM 0 HG2 GLN A 12 12.241 -4.240 -11.392 1.00 1.00 H new ATOM 0 HG3 GLN A 12 11.419 -5.664 -10.785 1.00 1.00 H new ATOM 0 HE21 GLN A 12 10.247 -7.074 -12.288 1.00 1.00 H new ATOM 0 HE22 GLN A 12 10.800 -7.181 -13.963 1.00 1.00 H new ATOM 188 N LEU A 13 7.733 -2.868 -9.638 1.00 1.00 N ATOM 189 CA LEU A 13 6.659 -1.944 -9.451 1.00 1.00 C ATOM 190 C LEU A 13 6.602 -1.294 -8.113 1.00 1.00 C ATOM 191 O LEU A 13 6.372 -0.088 -8.025 1.00 1.00 O ATOM 192 CB LEU A 13 5.329 -2.550 -9.933 1.00 1.00 C ATOM 193 CG LEU A 13 4.560 -3.570 -9.078 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.493 -2.863 -8.227 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.856 -4.598 -9.979 1.00 1.00 C ATOM 0 H LEU A 13 7.448 -3.847 -9.676 1.00 1.00 H new ATOM 0 HA LEU A 13 6.872 -1.090 -10.094 1.00 1.00 H new ATOM 0 HB2 LEU A 13 4.651 -1.718 -10.122 1.00 1.00 H new ATOM 0 HB3 LEU A 13 5.526 -3.025 -10.894 1.00 1.00 H new ATOM 0 HG LEU A 13 5.278 -4.071 -8.429 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.958 -3.600 -7.628 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.974 -2.140 -7.568 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.790 -2.347 -8.880 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.315 -5.314 -9.360 1.00 1.00 H new ATOM 0 HD22 LEU A 13 3.155 -4.085 -10.637 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.598 -5.125 -10.579 1.00 1.00 H new ATOM 207 N TRP A 14 6.906 -2.028 -7.027 1.00 1.00 N ATOM 208 CA TRP A 14 7.143 -1.576 -5.692 1.00 1.00 C ATOM 209 C TRP A 14 8.046 -0.392 -5.618 1.00 1.00 C ATOM 210 O TRP A 14 7.693 0.659 -5.087 1.00 1.00 O ATOM 211 CB TRP A 14 7.773 -2.687 -4.836 1.00 1.00 C ATOM 212 CG TRP A 14 6.923 -3.521 -3.908 1.00 1.00 C ATOM 213 CD1 TRP A 14 7.308 -3.887 -2.650 1.00 1.00 C ATOM 214 CD2 TRP A 14 5.621 -4.102 -4.106 1.00 1.00 C ATOM 215 NE1 TRP A 14 6.326 -4.622 -2.040 1.00 1.00 N ATOM 216 CE2 TRP A 14 5.277 -4.758 -2.917 1.00 1.00 C ATOM 217 CE3 TRP A 14 4.759 -4.108 -5.167 1.00 1.00 C ATOM 218 CZ2 TRP A 14 4.076 -5.399 -2.780 1.00 1.00 C ATOM 219 CZ3 TRP A 14 3.559 -4.764 -5.030 1.00 1.00 C ATOM 220 CH2 TRP A 14 3.220 -5.394 -3.855 1.00 1.00 C ATOM 0 H TRP A 14 6.994 -3.042 -7.095 1.00 1.00 H new ATOM 0 HA TRP A 14 6.161 -1.293 -5.313 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.271 -3.375 -5.519 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.550 -2.222 -4.229 1.00 1.00 H new ATOM 0 HD1 TRP A 14 8.255 -3.632 -2.199 1.00 1.00 H new ATOM 0 HE1 TRP A 14 6.367 -5.004 -1.095 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.015 -3.609 -6.090 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 3.809 -5.893 -1.857 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.869 -4.785 -5.861 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.265 -5.893 -3.776 1.00 1.00 H new ATOM 231 N LEU A 15 9.268 -0.509 -6.166 1.00 1.00 N ATOM 232 CA LEU A 15 10.227 0.552 -6.142 1.00 1.00 C ATOM 233 C LEU A 15 9.857 1.689 -7.031 1.00 1.00 C ATOM 234 O LEU A 15 10.136 2.848 -6.729 1.00 1.00 O ATOM 235 CB LEU A 15 11.663 0.047 -6.368 1.00 1.00 C ATOM 236 CG LEU A 15 12.070 -0.396 -7.783 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.659 0.763 -8.606 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.110 -1.528 -7.709 1.00 1.00 C ATOM 0 H LEU A 15 9.596 -1.354 -6.634 1.00 1.00 H new ATOM 0 HA LEU A 15 10.208 0.960 -5.131 1.00 1.00 H new ATOM 0 HB2 LEU A 15 12.345 0.839 -6.059 1.00 1.00 H new ATOM 0 HB3 LEU A 15 11.828 -0.796 -5.696 1.00 1.00 H new ATOM 0 HG LEU A 15 11.164 -0.745 -8.278 1.00 1.00 H new ATOM 0 HD11 LEU A 15 12.932 0.403 -9.598 1.00 1.00 H new ATOM 0 HD12 LEU A 15 11.918 1.557 -8.699 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.545 1.152 -8.105 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.389 -1.832 -8.718 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.994 -1.175 -7.178 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.684 -2.379 -7.178 1.00 1.00 H new ATOM 250 N THR A 16 9.143 1.413 -8.137 1.00 1.00 N ATOM 251 CA THR A 16 8.617 2.401 -9.027 1.00 1.00 C ATOM 252 C THR A 16 7.594 3.273 -8.383 1.00 1.00 C ATOM 253 O THR A 16 7.707 4.497 -8.440 1.00 1.00 O ATOM 254 CB THR A 16 8.048 1.826 -10.289 1.00 1.00 C ATOM 255 OG1 THR A 16 9.068 1.135 -10.996 1.00 1.00 O ATOM 256 CG2 THR A 16 7.531 2.918 -11.241 1.00 1.00 C ATOM 0 H THR A 16 8.923 0.459 -8.423 1.00 1.00 H new ATOM 0 HA THR A 16 9.483 3.008 -9.291 1.00 1.00 H new ATOM 0 HB THR A 16 7.228 1.172 -9.993 1.00 1.00 H new ATOM 0 HG1 THR A 16 9.220 0.261 -10.580 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.128 2.455 -12.142 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.747 3.491 -10.746 1.00 1.00 H new ATOM 0 HG23 THR A 16 8.351 3.583 -11.511 1.00 1.00 H new ATOM 264 N ILE A 17 6.577 2.710 -7.708 1.00 1.00 N ATOM 265 CA ILE A 17 5.592 3.440 -6.973 1.00 1.00 C ATOM 266 C ILE A 17 6.205 4.244 -5.878 1.00 1.00 C ATOM 267 O ILE A 17 5.943 5.440 -5.765 1.00 1.00 O ATOM 268 CB ILE A 17 4.478 2.571 -6.471 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.775 1.887 -7.656 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.442 3.407 -5.701 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.792 0.790 -7.252 1.00 1.00 C ATOM 0 H ILE A 17 6.435 1.701 -7.673 1.00 1.00 H new ATOM 0 HA ILE A 17 5.139 4.138 -7.677 1.00 1.00 H new ATOM 0 HB ILE A 17 4.906 1.822 -5.804 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.242 2.643 -8.233 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.531 1.458 -8.314 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.642 2.758 -5.345 1.00 1.00 H new ATOM 0 HG22 ILE A 17 3.923 3.889 -4.850 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.025 4.168 -6.361 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.340 0.359 -8.146 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.321 0.012 -6.702 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.012 1.215 -6.620 1.00 1.00 H new ATOM 283 N GLU A 18 7.100 3.653 -5.067 1.00 1.00 N ATOM 284 CA GLU A 18 7.829 4.343 -4.048 1.00 1.00 C ATOM 285 C GLU A 18 8.547 5.562 -4.516 1.00 1.00 C ATOM 286 O GLU A 18 8.312 6.662 -4.020 1.00 1.00 O ATOM 287 CB GLU A 18 8.856 3.406 -3.391 1.00 1.00 C ATOM 288 CG GLU A 18 9.526 3.946 -2.126 1.00 1.00 C ATOM 289 CD GLU A 18 11.002 3.579 -2.048 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.349 2.368 -2.030 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.849 4.509 -2.000 1.00 1.00 O ATOM 0 H GLU A 18 7.324 2.660 -5.122 1.00 1.00 H new ATOM 0 HA GLU A 18 7.069 4.668 -3.337 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.360 2.467 -3.146 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.631 3.176 -4.122 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.422 5.031 -2.098 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.010 3.554 -1.249 1.00 1.00 H new ATOM 298 N GLU A 19 9.438 5.420 -5.513 1.00 1.00 N ATOM 299 CA GLU A 19 10.276 6.479 -5.980 1.00 1.00 C ATOM 300 C GLU A 19 9.586 7.492 -6.828 1.00 1.00 C ATOM 301 O GLU A 19 9.895 8.680 -6.773 1.00 1.00 O ATOM 302 CB GLU A 19 11.523 5.918 -6.683 1.00 1.00 C ATOM 303 CG GLU A 19 12.684 6.914 -6.708 1.00 1.00 C ATOM 304 CD GLU A 19 13.978 6.288 -7.209 1.00 1.00 C ATOM 305 OE1 GLU A 19 14.174 6.196 -8.451 1.00 1.00 O ATOM 306 OE2 GLU A 19 14.838 5.918 -6.366 1.00 1.00 O ATOM 0 H GLU A 19 9.579 4.540 -6.010 1.00 1.00 H new ATOM 0 HA GLU A 19 10.581 7.024 -5.086 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.842 5.007 -6.176 1.00 1.00 H new ATOM 0 HB3 GLU A 19 11.265 5.641 -7.705 1.00 1.00 H new ATOM 0 HG2 GLU A 19 12.421 7.758 -7.346 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.840 7.310 -5.705 1.00 1.00 H new ATOM 313 N ARG A 20 8.582 7.102 -7.633 1.00 1.00 N ATOM 314 CA ARG A 20 7.789 8.025 -8.385 1.00 1.00 C ATOM 315 C ARG A 20 6.986 8.928 -7.512 1.00 1.00 C ATOM 316 O ARG A 20 6.958 10.139 -7.732 1.00 1.00 O ATOM 317 CB ARG A 20 6.869 7.366 -9.426 1.00 1.00 C ATOM 318 CG ARG A 20 6.311 8.322 -10.482 1.00 1.00 C ATOM 319 CD ARG A 20 7.069 8.354 -11.811 1.00 1.00 C ATOM 320 NE ARG A 20 8.357 9.071 -11.593 1.00 1.00 N ATOM 321 CZ ARG A 20 9.449 8.971 -12.408 1.00 1.00 C ATOM 322 NH1 ARG A 20 9.495 8.200 -13.533 1.00 1.00 N ATOM 323 NH2 ARG A 20 10.588 9.644 -12.071 1.00 1.00 N ATOM 0 H ARG A 20 8.315 6.126 -7.764 1.00 1.00 H new ATOM 0 HA ARG A 20 8.524 8.615 -8.933 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.422 6.573 -9.929 1.00 1.00 H new ATOM 0 HB3 ARG A 20 6.035 6.893 -8.907 1.00 1.00 H new ATOM 0 HG2 ARG A 20 5.275 8.049 -10.682 1.00 1.00 H new ATOM 0 HG3 ARG A 20 6.301 9.329 -10.066 1.00 1.00 H new ATOM 0 HD2 ARG A 20 7.253 7.341 -12.168 1.00 1.00 H new ATOM 0 HD3 ARG A 20 6.477 8.859 -12.575 1.00 1.00 H new ATOM 0 HE ARG A 20 8.428 9.680 -10.778 1.00 1.00 H new ATOM 0 HH11 ARG A 20 8.680 7.653 -13.810 1.00 1.00 H new ATOM 0 HH12 ARG A 20 10.344 8.171 -14.097 1.00 1.00 H new ATOM 0 HH21 ARG A 20 10.614 10.210 -11.223 1.00 1.00 H new ATOM 0 HH22 ARG A 20 11.413 9.581 -12.668 1.00 1.00 H new ATOM 337 N LEU A 21 6.340 8.389 -6.462 1.00 1.00 N ATOM 338 CA LEU A 21 5.571 9.175 -5.547 1.00 1.00 C ATOM 339 C LEU A 21 6.411 9.982 -4.617 1.00 1.00 C ATOM 340 O LEU A 21 6.031 11.097 -4.262 1.00 1.00 O ATOM 341 CB LEU A 21 4.534 8.325 -4.792 1.00 1.00 C ATOM 342 CG LEU A 21 3.220 8.075 -5.548 1.00 1.00 C ATOM 343 CD1 LEU A 21 2.479 9.389 -5.851 1.00 1.00 C ATOM 344 CD2 LEU A 21 3.348 7.266 -6.850 1.00 1.00 C ATOM 0 H LEU A 21 6.352 7.392 -6.245 1.00 1.00 H new ATOM 0 HA LEU A 21 5.023 9.894 -6.156 1.00 1.00 H new ATOM 0 HB2 LEU A 21 4.984 7.362 -4.549 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.303 8.817 -3.847 1.00 1.00 H new ATOM 0 HG LEU A 21 2.646 7.459 -4.856 1.00 1.00 H new ATOM 0 HD11 LEU A 21 1.555 9.171 -6.386 1.00 1.00 H new ATOM 0 HD12 LEU A 21 2.245 9.899 -4.916 1.00 1.00 H new ATOM 0 HD13 LEU A 21 3.111 10.030 -6.465 1.00 1.00 H new ATOM 0 HD21 LEU A 21 2.364 7.147 -7.303 1.00 1.00 H new ATOM 0 HD22 LEU A 21 4.005 7.792 -7.542 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.766 6.284 -6.629 1.00 1.00 H new ATOM 356 N ASP A 22 7.612 9.517 -4.231 1.00 1.00 N ATOM 357 CA ASP A 22 8.602 10.295 -3.552 1.00 1.00 C ATOM 358 C ASP A 22 8.958 11.549 -4.273 1.00 1.00 C ATOM 359 O ASP A 22 8.888 12.646 -3.719 1.00 1.00 O ATOM 360 CB ASP A 22 9.859 9.436 -3.334 1.00 1.00 C ATOM 361 CG ASP A 22 10.891 10.091 -2.426 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.751 9.973 -1.179 1.00 1.00 O ATOM 363 OD2 ASP A 22 11.859 10.712 -2.941 1.00 1.00 O ATOM 0 H ASP A 22 7.907 8.555 -4.400 1.00 1.00 H new ATOM 0 HA ASP A 22 8.176 10.600 -2.596 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.565 8.478 -2.905 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.318 9.225 -4.300 1.00 1.00 H new ATOM 368 N ASP A 23 9.337 11.436 -5.558 1.00 1.00 N ATOM 369 CA ASP A 23 9.820 12.529 -6.344 1.00 1.00 C ATOM 370 C ASP A 23 8.756 13.149 -7.183 1.00 1.00 C ATOM 371 O ASP A 23 9.002 13.684 -8.263 1.00 1.00 O ATOM 372 CB ASP A 23 10.964 11.951 -7.195 1.00 1.00 C ATOM 373 CG ASP A 23 12.024 12.986 -7.547 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.512 13.692 -6.625 1.00 1.00 O ATOM 375 OD2 ASP A 23 12.408 13.081 -8.744 1.00 1.00 O ATOM 0 H ASP A 23 9.306 10.553 -6.068 1.00 1.00 H new ATOM 0 HA ASP A 23 10.166 13.343 -5.707 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.432 11.129 -6.654 1.00 1.00 H new ATOM 0 HB3 ASP A 23 10.551 11.534 -8.114 1.00 1.00 H new ATOM 380 N TRP A 24 7.492 13.105 -6.726 1.00 1.00 N ATOM 381 CA TRP A 24 6.353 13.694 -7.359 1.00 1.00 C ATOM 382 C TRP A 24 6.269 15.154 -7.076 1.00 1.00 C ATOM 383 O TRP A 24 7.134 15.728 -6.418 1.00 1.00 O ATOM 384 CB TRP A 24 5.087 12.950 -6.901 1.00 1.00 C ATOM 385 CG TRP A 24 3.795 13.192 -7.646 1.00 1.00 C ATOM 386 CD1 TRP A 24 2.644 13.760 -7.185 1.00 1.00 C ATOM 387 CD2 TRP A 24 3.537 12.810 -9.011 1.00 1.00 C ATOM 388 NE1 TRP A 24 1.690 13.770 -8.170 1.00 1.00 N ATOM 389 CE2 TRP A 24 2.215 13.172 -9.291 1.00 1.00 C ATOM 390 CE3 TRP A 24 4.310 12.186 -9.950 1.00 1.00 C ATOM 391 CZ2 TRP A 24 1.666 12.909 -10.517 1.00 1.00 C ATOM 392 CZ3 TRP A 24 3.747 11.931 -11.179 1.00 1.00 C ATOM 393 CH2 TRP A 24 2.448 12.285 -11.459 1.00 1.00 C ATOM 0 H TRP A 24 7.251 12.627 -5.858 1.00 1.00 H new ATOM 0 HA TRP A 24 6.449 13.596 -8.440 1.00 1.00 H new ATOM 0 HB2 TRP A 24 5.298 11.881 -6.943 1.00 1.00 H new ATOM 0 HB3 TRP A 24 4.917 13.200 -5.854 1.00 1.00 H new ATOM 0 HD1 TRP A 24 2.504 14.147 -6.186 1.00 1.00 H new ATOM 0 HE1 TRP A 24 0.750 14.156 -8.085 1.00 1.00 H new ATOM 0 HE3 TRP A 24 5.329 11.902 -9.734 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 0.645 13.185 -10.738 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 4.338 11.443 -11.940 1.00 1.00 H new ATOM 0 HH2 TRP A 24 2.036 12.069 -12.434 1.00 1.00 H new ATOM 404 N ASP A 25 5.225 15.850 -7.562 1.00 1.00 N ATOM 405 CA ASP A 25 5.017 17.249 -7.358 1.00 1.00 C ATOM 406 C ASP A 25 4.406 17.514 -6.026 1.00 1.00 C ATOM 407 O ASP A 25 3.274 17.975 -5.889 1.00 1.00 O ATOM 408 CB ASP A 25 4.178 17.818 -8.516 1.00 1.00 C ATOM 409 CG ASP A 25 4.187 19.339 -8.568 1.00 1.00 C ATOM 410 OD1 ASP A 25 5.132 19.979 -8.034 1.00 1.00 O ATOM 411 OD2 ASP A 25 3.244 19.915 -9.175 1.00 1.00 O ATOM 0 H ASP A 25 4.492 15.416 -8.123 1.00 1.00 H new ATOM 0 HA ASP A 25 5.979 17.761 -7.357 1.00 1.00 H new ATOM 0 HB2 ASP A 25 4.558 17.426 -9.459 1.00 1.00 H new ATOM 0 HB3 ASP A 25 3.150 17.470 -8.417 1.00 1.00 H new ATOM 416 N GLY A 26 5.163 17.220 -4.952 1.00 1.00 N ATOM 417 CA GLY A 26 4.761 17.397 -3.592 1.00 1.00 C ATOM 418 C GLY A 26 5.899 16.951 -2.738 1.00 1.00 C ATOM 419 O GLY A 26 6.554 15.954 -3.037 1.00 1.00 O ATOM 0 H GLY A 26 6.105 16.839 -5.039 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.517 18.441 -3.395 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.865 16.814 -3.376 1.00 1.00 H new ATOM 423 N ASP A 27 6.187 17.697 -1.658 1.00 1.00 N ATOM 424 CA ASP A 27 7.251 17.399 -0.751 1.00 1.00 C ATOM 425 C ASP A 27 6.658 16.923 0.532 1.00 1.00 C ATOM 426 O ASP A 27 7.081 15.923 1.109 1.00 1.00 O ATOM 427 CB ASP A 27 8.114 18.660 -0.574 1.00 1.00 C ATOM 428 CG ASP A 27 9.555 18.316 -0.226 1.00 1.00 C ATOM 429 OD1 ASP A 27 10.248 17.704 -1.081 1.00 1.00 O ATOM 430 OD2 ASP A 27 10.024 18.687 0.882 1.00 1.00 O ATOM 0 H ASP A 27 5.662 18.535 -1.407 1.00 1.00 H new ATOM 0 HA ASP A 27 7.898 16.609 -1.131 1.00 1.00 H new ATOM 0 HB2 ASP A 27 8.092 19.247 -1.492 1.00 1.00 H new ATOM 0 HB3 ASP A 27 7.689 19.283 0.213 1.00 1.00 H new ATOM 435 N SER A 28 5.600 17.611 0.999 1.00 1.00 N ATOM 436 CA SER A 28 4.780 17.241 2.110 1.00 1.00 C ATOM 437 C SER A 28 3.707 16.309 1.662 1.00 1.00 C ATOM 438 O SER A 28 3.349 16.215 0.488 1.00 1.00 O ATOM 439 CB SER A 28 4.111 18.451 2.782 1.00 1.00 C ATOM 440 OG SER A 28 5.081 19.276 3.409 1.00 1.00 O ATOM 0 H SER A 28 5.298 18.486 0.570 1.00 1.00 H new ATOM 0 HA SER A 28 5.439 16.765 2.836 1.00 1.00 H new ATOM 0 HB2 SER A 28 3.561 19.028 2.039 1.00 1.00 H new ATOM 0 HB3 SER A 28 3.386 18.109 3.520 1.00 1.00 H new ATOM 0 HG SER A 28 4.637 20.042 3.830 1.00 1.00 H new ATOM 446 N ASP A 29 3.167 15.585 2.659 1.00 1.00 N ATOM 447 CA ASP A 29 2.086 14.653 2.588 1.00 1.00 C ATOM 448 C ASP A 29 2.286 13.466 1.710 1.00 1.00 C ATOM 449 O ASP A 29 1.340 12.768 1.344 1.00 1.00 O ATOM 450 CB ASP A 29 0.848 15.544 2.390 1.00 1.00 C ATOM 451 CG ASP A 29 -0.473 14.866 2.728 1.00 1.00 C ATOM 452 OD1 ASP A 29 -0.650 14.527 3.928 1.00 1.00 O ATOM 453 OD2 ASP A 29 -1.357 14.757 1.837 1.00 1.00 O ATOM 0 H ASP A 29 3.527 15.663 3.610 1.00 1.00 H new ATOM 0 HA ASP A 29 1.969 14.062 3.496 1.00 1.00 H new ATOM 0 HB2 ASP A 29 0.954 16.435 3.008 1.00 1.00 H new ATOM 0 HB3 ASP A 29 0.817 15.877 1.353 1.00 1.00 H new ATOM 458 N ILE A 30 3.544 13.118 1.392 1.00 1.00 N ATOM 459 CA ILE A 30 3.843 11.917 0.676 1.00 1.00 C ATOM 460 C ILE A 30 5.163 11.418 1.154 1.00 1.00 C ATOM 461 O ILE A 30 6.215 12.038 0.994 1.00 1.00 O ATOM 462 CB ILE A 30 3.756 12.124 -0.807 1.00 1.00 C ATOM 463 CG1 ILE A 30 3.905 10.822 -1.613 1.00 1.00 C ATOM 464 CG2 ILE A 30 4.717 13.204 -1.331 1.00 1.00 C ATOM 465 CD1 ILE A 30 2.741 9.857 -1.395 1.00 1.00 C ATOM 0 H ILE A 30 4.363 13.675 1.634 1.00 1.00 H new ATOM 0 HA ILE A 30 3.100 11.145 0.877 1.00 1.00 H new ATOM 0 HB ILE A 30 2.742 12.491 -0.968 1.00 1.00 H new ATOM 0 HG12 ILE A 30 3.978 11.063 -2.674 1.00 1.00 H new ATOM 0 HG13 ILE A 30 4.837 10.330 -1.332 1.00 1.00 H new ATOM 0 HG21 ILE A 30 4.601 13.301 -2.410 1.00 1.00 H new ATOM 0 HG22 ILE A 30 4.488 14.157 -0.854 1.00 1.00 H new ATOM 0 HG23 ILE A 30 5.744 12.920 -1.100 1.00 1.00 H new ATOM 0 HD11 ILE A 30 2.899 8.956 -1.988 1.00 1.00 H new ATOM 0 HD12 ILE A 30 2.682 9.591 -0.340 1.00 1.00 H new ATOM 0 HD13 ILE A 30 1.810 10.334 -1.702 1.00 1.00 H new ATOM 477 N ASP A 31 5.144 10.277 1.863 1.00 1.00 N ATOM 478 CA ASP A 31 6.296 9.697 2.480 1.00 1.00 C ATOM 479 C ASP A 31 6.081 8.225 2.590 1.00 1.00 C ATOM 480 O ASP A 31 5.250 7.757 3.364 1.00 1.00 O ATOM 481 CB ASP A 31 6.461 10.382 3.847 1.00 1.00 C ATOM 482 CG ASP A 31 7.827 10.183 4.489 1.00 1.00 C ATOM 483 OD1 ASP A 31 8.648 9.398 3.946 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.080 10.791 5.563 1.00 1.00 O ATOM 0 H ASP A 31 4.292 9.736 2.013 1.00 1.00 H new ATOM 0 HA ASP A 31 7.210 9.844 1.904 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.281 11.450 3.729 1.00 1.00 H new ATOM 0 HB3 ASP A 31 5.696 10.003 4.524 1.00 1.00 H new ATOM 489 N CYS A 32 6.773 7.372 1.813 1.00 1.00 N ATOM 490 CA CYS A 32 6.495 5.970 1.835 1.00 1.00 C ATOM 491 C CYS A 32 7.236 5.244 2.904 1.00 1.00 C ATOM 492 O CYS A 32 8.394 5.543 3.193 1.00 1.00 O ATOM 493 CB CYS A 32 6.817 5.308 0.484 1.00 1.00 C ATOM 494 SG CYS A 32 6.127 3.645 0.242 1.00 1.00 S ATOM 0 H CYS A 32 7.519 7.650 1.175 1.00 1.00 H new ATOM 0 HA CYS A 32 5.428 5.895 2.043 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.450 5.954 -0.314 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.900 5.252 0.376 1.00 1.00 H new ATOM 0 HG CYS A 32 6.443 2.893 1.254 1.00 1.00 H new ATOM 500 N GLU A 33 6.609 4.226 3.520 1.00 1.00 N ATOM 501 CA GLU A 33 7.227 3.257 4.372 1.00 1.00 C ATOM 502 C GLU A 33 7.615 2.080 3.545 1.00 1.00 C ATOM 503 O GLU A 33 6.832 1.633 2.708 1.00 1.00 O ATOM 504 CB GLU A 33 6.267 2.685 5.428 1.00 1.00 C ATOM 505 CG GLU A 33 5.950 3.648 6.575 1.00 1.00 C ATOM 506 CD GLU A 33 5.092 3.005 7.656 1.00 1.00 C ATOM 507 OE1 GLU A 33 4.484 1.925 7.429 1.00 1.00 O ATOM 508 OE2 GLU A 33 4.996 3.603 8.761 1.00 1.00 O ATOM 0 H GLU A 33 5.606 4.070 3.416 1.00 1.00 H new ATOM 0 HA GLU A 33 8.060 3.765 4.858 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.335 2.400 4.939 1.00 1.00 H new ATOM 0 HB3 GLU A 33 6.701 1.775 5.842 1.00 1.00 H new ATOM 0 HG2 GLU A 33 6.882 4.001 7.017 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.434 4.523 6.179 1.00 1.00 H new ATOM 515 N ILE A 34 8.825 1.534 3.766 1.00 1.00 N ATOM 516 CA ILE A 34 9.303 0.372 3.083 1.00 1.00 C ATOM 517 C ILE A 34 9.794 -0.563 4.135 1.00 1.00 C ATOM 518 O ILE A 34 10.855 -0.403 4.737 1.00 1.00 O ATOM 519 CB ILE A 34 10.418 0.609 2.110 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.103 1.744 1.122 1.00 1.00 C ATOM 521 CG2 ILE A 34 10.743 -0.687 1.345 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.515 3.123 1.637 1.00 1.00 C ATOM 0 H ILE A 34 9.490 1.913 4.440 1.00 1.00 H new ATOM 0 HA ILE A 34 8.476 -0.012 2.486 1.00 1.00 H new ATOM 0 HB ILE A 34 11.289 0.918 2.689 1.00 1.00 H new ATOM 0 HG12 ILE A 34 10.614 1.548 0.179 1.00 1.00 H new ATOM 0 HG13 ILE A 34 9.034 1.747 0.911 1.00 1.00 H new ATOM 0 HG21 ILE A 34 11.555 -0.501 0.642 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.045 -1.460 2.051 1.00 1.00 H new ATOM 0 HG23 ILE A 34 9.859 -1.019 0.800 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.265 3.879 0.893 1.00 1.00 H new ATOM 0 HD12 ILE A 34 9.985 3.338 2.565 1.00 1.00 H new ATOM 0 HD13 ILE A 34 11.589 3.136 1.821 1.00 1.00 H new ATOM 534 N ASN A 35 8.995 -1.620 4.367 1.00 1.00 N ATOM 535 CA ASN A 35 9.258 -2.624 5.350 1.00 1.00 C ATOM 536 C ASN A 35 9.179 -3.988 4.756 1.00 1.00 C ATOM 537 O ASN A 35 8.216 -4.731 4.943 1.00 1.00 O ATOM 538 CB ASN A 35 8.327 -2.499 6.568 1.00 1.00 C ATOM 539 CG ASN A 35 8.569 -1.190 7.306 1.00 1.00 C ATOM 540 OD1 ASN A 35 7.696 -0.327 7.395 1.00 1.00 O ATOM 541 ND2 ASN A 35 9.789 -1.025 7.882 1.00 1.00 N ATOM 0 H ASN A 35 8.131 -1.781 3.849 1.00 1.00 H new ATOM 0 HA ASN A 35 10.276 -2.465 5.706 1.00 1.00 H new ATOM 0 HB2 ASN A 35 7.288 -2.551 6.243 1.00 1.00 H new ATOM 0 HB3 ASN A 35 8.492 -3.338 7.244 1.00 1.00 H new ATOM 0 HD21 ASN A 35 9.997 -0.172 8.401 1.00 1.00 H new ATOM 0 HD22 ASN A 35 10.497 -1.754 7.795 1.00 1.00 H new ATOM 548 N GLY A 36 10.236 -4.391 4.027 1.00 1.00 N ATOM 549 CA GLY A 36 10.544 -5.746 3.694 1.00 1.00 C ATOM 550 C GLY A 36 9.576 -6.513 2.861 1.00 1.00 C ATOM 551 O GLY A 36 9.527 -7.739 2.945 1.00 1.00 O ATOM 0 H GLY A 36 10.915 -3.730 3.648 1.00 1.00 H new ATOM 0 HA2 GLY A 36 11.503 -5.750 3.175 1.00 1.00 H new ATOM 0 HA3 GLY A 36 10.684 -6.293 4.627 1.00 1.00 H new ATOM 555 N GLY A 37 8.778 -5.829 2.022 1.00 1.00 N ATOM 556 CA GLY A 37 7.725 -6.437 1.268 1.00 1.00 C ATOM 557 C GLY A 37 6.470 -5.650 1.429 1.00 1.00 C ATOM 558 O GLY A 37 5.662 -5.546 0.508 1.00 1.00 O ATOM 0 H GLY A 37 8.867 -4.825 1.863 1.00 1.00 H new ATOM 0 HA2 GLY A 37 8.001 -6.487 0.215 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.568 -7.462 1.605 1.00 1.00 H new ATOM 562 N VAL A 38 6.274 -5.041 2.611 1.00 1.00 N ATOM 563 CA VAL A 38 5.167 -4.178 2.886 1.00 1.00 C ATOM 564 C VAL A 38 5.524 -2.785 2.500 1.00 1.00 C ATOM 565 O VAL A 38 6.560 -2.263 2.907 1.00 1.00 O ATOM 566 CB VAL A 38 4.816 -4.206 4.344 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.567 -3.348 4.613 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.559 -5.656 4.792 1.00 1.00 C ATOM 0 H VAL A 38 6.907 -5.153 3.403 1.00 1.00 H new ATOM 0 HA VAL A 38 4.307 -4.524 2.312 1.00 1.00 H new ATOM 0 HB VAL A 38 5.651 -3.796 4.912 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.326 -3.379 5.676 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.762 -2.318 4.315 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.727 -3.738 4.039 1.00 1.00 H new ATOM 0 HG21 VAL A 38 4.305 -5.670 5.852 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.734 -6.074 4.215 1.00 1.00 H new ATOM 0 HG23 VAL A 38 5.456 -6.252 4.627 1.00 1.00 H new ATOM 578 N LEU A 39 4.680 -2.117 1.693 1.00 1.00 N ATOM 579 CA LEU A 39 4.787 -0.715 1.432 1.00 1.00 C ATOM 580 C LEU A 39 3.579 -0.046 1.994 1.00 1.00 C ATOM 581 O LEU A 39 2.440 -0.425 1.724 1.00 1.00 O ATOM 582 CB LEU A 39 4.828 -0.419 -0.077 1.00 1.00 C ATOM 583 CG LEU A 39 6.108 -0.908 -0.774 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.038 -0.588 -2.277 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.379 -0.261 -0.195 1.00 1.00 C ATOM 0 H LEU A 39 3.902 -2.564 1.209 1.00 1.00 H new ATOM 0 HA LEU A 39 5.709 -0.351 1.885 1.00 1.00 H new ATOM 0 HB2 LEU A 39 3.966 -0.887 -0.552 1.00 1.00 H new ATOM 0 HB3 LEU A 39 4.731 0.656 -0.229 1.00 1.00 H new ATOM 0 HG LEU A 39 6.168 -1.983 -0.606 1.00 1.00 H new ATOM 0 HD11 LEU A 39 6.948 -0.937 -2.766 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.175 -1.089 -2.716 1.00 1.00 H new ATOM 0 HD13 LEU A 39 5.942 0.489 -2.416 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.254 -0.641 -0.723 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.324 0.821 -0.316 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.461 -0.504 0.864 1.00 1.00 H new ATOM 597 N THR A 40 3.800 1.026 2.774 1.00 1.00 N ATOM 598 CA THR A 40 2.722 1.816 3.284 1.00 1.00 C ATOM 599 C THR A 40 2.971 3.210 2.817 1.00 1.00 C ATOM 600 O THR A 40 3.924 3.863 3.240 1.00 1.00 O ATOM 601 CB THR A 40 2.544 1.861 4.772 1.00 1.00 C ATOM 602 OG1 THR A 40 3.054 0.712 5.432 1.00 1.00 O ATOM 603 CG2 THR A 40 1.033 1.892 5.060 1.00 1.00 C ATOM 0 H THR A 40 4.727 1.347 3.053 1.00 1.00 H new ATOM 0 HA THR A 40 1.809 1.346 2.917 1.00 1.00 H new ATOM 0 HB THR A 40 3.083 2.736 5.136 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.525 0.985 6.247 1.00 1.00 H new ATOM 0 HG21 THR A 40 0.868 1.925 6.137 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.593 2.776 4.598 1.00 1.00 H new ATOM 0 HG23 THR A 40 0.566 0.997 4.649 1.00 1.00 H new ATOM 611 N ILE A 41 2.100 3.770 1.957 1.00 1.00 N ATOM 612 CA ILE A 41 2.322 5.095 1.469 1.00 1.00 C ATOM 613 C ILE A 41 1.675 5.994 2.467 1.00 1.00 C ATOM 614 O ILE A 41 0.465 5.950 2.677 1.00 1.00 O ATOM 615 CB ILE A 41 1.794 5.337 0.087 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.630 4.574 -0.954 1.00 1.00 C ATOM 617 CG2 ILE A 41 1.770 6.837 -0.252 1.00 1.00 C ATOM 618 CD1 ILE A 41 1.897 4.388 -2.283 1.00 1.00 C ATOM 0 H ILE A 41 1.258 3.315 1.605 1.00 1.00 H new ATOM 0 HA ILE A 41 3.391 5.280 1.368 1.00 1.00 H new ATOM 0 HB ILE A 41 0.769 4.967 0.058 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.561 5.112 -1.130 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.898 3.597 -0.552 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.382 6.976 -1.261 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.130 7.360 0.458 1.00 1.00 H new ATOM 0 HG23 ILE A 41 2.781 7.239 -0.194 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.536 3.843 -2.978 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.979 3.825 -2.116 1.00 1.00 H new ATOM 0 HD13 ILE A 41 1.653 5.364 -2.703 1.00 1.00 H new ATOM 630 N THR A 42 2.519 6.757 3.185 1.00 1.00 N ATOM 631 CA THR A 42 2.114 7.451 4.368 1.00 1.00 C ATOM 632 C THR A 42 2.055 8.916 4.102 1.00 1.00 C ATOM 633 O THR A 42 2.839 9.476 3.338 1.00 1.00 O ATOM 634 CB THR A 42 2.984 7.146 5.550 1.00 1.00 C ATOM 635 OG1 THR A 42 3.061 5.741 5.741 1.00 1.00 O ATOM 636 CG2 THR A 42 2.411 7.716 6.859 1.00 1.00 C ATOM 0 H THR A 42 3.500 6.894 2.940 1.00 1.00 H new ATOM 0 HA THR A 42 1.118 7.095 4.631 1.00 1.00 H new ATOM 0 HB THR A 42 3.954 7.595 5.337 1.00 1.00 H new ATOM 0 HG1 THR A 42 3.495 5.551 6.599 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.077 7.469 7.686 1.00 1.00 H new ATOM 0 HG22 THR A 42 2.322 8.799 6.776 1.00 1.00 H new ATOM 0 HG23 THR A 42 1.427 7.284 7.044 1.00 1.00 H new ATOM 644 N PHE A 43 1.066 9.602 4.700 1.00 1.00 N ATOM 645 CA PHE A 43 0.759 10.977 4.453 1.00 1.00 C ATOM 646 C PHE A 43 1.012 11.741 5.707 1.00 1.00 C ATOM 647 O PHE A 43 0.944 11.187 6.803 1.00 1.00 O ATOM 648 CB PHE A 43 -0.730 11.129 4.096 1.00 1.00 C ATOM 649 CG PHE A 43 -1.151 10.355 2.895 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.371 9.002 2.992 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.411 10.975 1.695 1.00 1.00 C ATOM 652 CE1 PHE A 43 -1.855 8.272 1.934 1.00 1.00 C ATOM 653 CE2 PHE A 43 -1.877 10.259 0.618 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.114 8.910 0.743 1.00 1.00 C ATOM 0 H PHE A 43 0.449 9.176 5.391 1.00 1.00 H new ATOM 0 HA PHE A 43 1.372 11.345 3.630 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -1.331 10.812 4.948 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -0.946 12.184 3.929 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -1.158 8.500 3.924 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -1.247 12.038 1.598 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -2.030 7.211 2.036 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -2.057 10.755 -0.324 1.00 1.00 H new ATOM 0 HZ PHE A 43 -2.504 8.351 -0.095 1.00 1.00 H new ATOM 664 N GLU A 44 1.275 13.059 5.651 1.00 1.00 N ATOM 665 CA GLU A 44 1.209 13.926 6.785 1.00 1.00 C ATOM 666 C GLU A 44 -0.151 14.117 7.362 1.00 1.00 C ATOM 667 O GLU A 44 -0.286 14.391 8.553 1.00 1.00 O ATOM 668 CB GLU A 44 1.790 15.285 6.358 1.00 1.00 C ATOM 669 CG GLU A 44 3.309 15.206 6.204 1.00 1.00 C ATOM 670 CD GLU A 44 4.024 15.446 7.526 1.00 1.00 C ATOM 671 OE1 GLU A 44 3.750 14.732 8.527 1.00 1.00 O ATOM 672 OE2 GLU A 44 4.885 16.363 7.573 1.00 1.00 O ATOM 0 H GLU A 44 1.542 13.536 4.790 1.00 1.00 H new ATOM 0 HA GLU A 44 1.780 13.453 7.584 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.341 15.597 5.415 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.535 16.043 7.099 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.584 14.226 5.814 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.639 15.944 5.473 1.00 1.00 H new ATOM 679 N ASN A 45 -1.214 13.897 6.567 1.00 1.00 N ATOM 680 CA ASN A 45 -2.559 13.735 7.023 1.00 1.00 C ATOM 681 C ASN A 45 -2.782 12.508 7.839 1.00 1.00 C ATOM 682 O ASN A 45 -3.851 12.333 8.421 1.00 1.00 O ATOM 683 CB ASN A 45 -3.537 13.701 5.836 1.00 1.00 C ATOM 684 CG ASN A 45 -3.822 15.102 5.310 1.00 1.00 C ATOM 685 OD1 ASN A 45 -4.470 15.914 5.968 1.00 1.00 O ATOM 686 ND2 ASN A 45 -3.379 15.404 4.061 1.00 1.00 N ATOM 0 H ASN A 45 -1.129 13.829 5.553 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.742 14.598 7.663 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.120 13.088 5.037 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.470 13.230 6.145 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -3.583 16.317 3.655 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -2.843 14.718 3.530 1.00 1.00 H new ATOM 693 N GLY A 46 -1.796 11.602 7.959 1.00 1.00 N ATOM 694 CA GLY A 46 -1.815 10.510 8.883 1.00 1.00 C ATOM 695 C GLY A 46 -2.319 9.235 8.301 1.00 1.00 C ATOM 696 O GLY A 46 -2.278 8.182 8.935 1.00 1.00 O ATOM 0 H GLY A 46 -0.951 11.631 7.389 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -0.806 10.351 9.263 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.438 10.780 9.736 1.00 1.00 H new ATOM 700 N SER A 47 -2.848 9.312 7.067 1.00 1.00 N ATOM 701 CA SER A 47 -3.542 8.274 6.370 1.00 1.00 C ATOM 702 C SER A 47 -2.626 7.289 5.731 1.00 1.00 C ATOM 703 O SER A 47 -1.425 7.306 5.995 1.00 1.00 O ATOM 704 CB SER A 47 -4.499 8.906 5.344 1.00 1.00 C ATOM 705 OG SER A 47 -5.082 10.077 5.893 1.00 1.00 O ATOM 0 H SER A 47 -2.785 10.167 6.515 1.00 1.00 H new ATOM 0 HA SER A 47 -4.116 7.704 7.100 1.00 1.00 H new ATOM 0 HB2 SER A 47 -3.958 9.152 4.430 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.278 8.194 5.072 1.00 1.00 H new ATOM 0 HG SER A 47 -5.690 10.478 5.237 1.00 1.00 H new ATOM 711 N LYS A 48 -3.113 6.368 4.880 1.00 1.00 N ATOM 712 CA LYS A 48 -2.324 5.218 4.563 1.00 1.00 C ATOM 713 C LYS A 48 -2.839 4.411 3.421 1.00 1.00 C ATOM 714 O LYS A 48 -3.985 3.966 3.408 1.00 1.00 O ATOM 715 CB LYS A 48 -2.100 4.303 5.778 1.00 1.00 C ATOM 716 CG LYS A 48 -3.358 3.933 6.564 1.00 1.00 C ATOM 717 CD LYS A 48 -3.108 3.203 7.886 1.00 1.00 C ATOM 718 CE LYS A 48 -4.407 3.032 8.676 1.00 1.00 C ATOM 719 NZ LYS A 48 -4.204 2.333 9.964 1.00 1.00 N ATOM 0 H LYS A 48 -4.024 6.415 4.424 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.369 5.641 4.251 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.623 3.384 5.436 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -1.400 4.792 6.455 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -3.919 4.844 6.771 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -3.989 3.306 5.935 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -2.668 2.226 7.688 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.387 3.762 8.483 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -4.845 4.012 8.864 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -5.123 2.474 8.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -5.115 2.244 10.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -3.812 1.386 9.787 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -3.542 2.877 10.554 1.00 1.00 H new ATOM 733 N ILE A 49 -1.980 4.156 2.419 1.00 1.00 N ATOM 734 CA ILE A 49 -2.198 3.183 1.394 1.00 1.00 C ATOM 735 C ILE A 49 -1.408 1.977 1.772 1.00 1.00 C ATOM 736 O ILE A 49 -0.182 2.011 1.682 1.00 1.00 O ATOM 737 CB ILE A 49 -1.715 3.564 0.027 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.908 5.050 -0.321 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.342 2.632 -1.023 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.356 5.539 -0.334 1.00 1.00 C ATOM 0 H ILE A 49 -1.093 4.650 2.319 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.278 3.048 1.331 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.633 3.430 0.023 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.347 5.649 0.396 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.471 5.235 -1.302 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.989 2.912 -2.015 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -2.055 1.602 -0.813 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.428 2.721 -0.986 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -3.380 6.598 -0.590 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.924 4.974 -1.073 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.798 5.394 0.652 1.00 1.00 H new ATOM 752 N ILE A 50 -2.020 0.865 2.219 1.00 1.00 N ATOM 753 CA ILE A 50 -1.282 -0.257 2.707 1.00 1.00 C ATOM 754 C ILE A 50 -1.306 -1.377 1.724 1.00 1.00 C ATOM 755 O ILE A 50 -2.350 -1.904 1.348 1.00 1.00 O ATOM 756 CB ILE A 50 -1.708 -0.629 4.097 1.00 1.00 C ATOM 757 CG1 ILE A 50 -1.038 -1.926 4.578 1.00 1.00 C ATOM 758 CG2 ILE A 50 -3.238 -0.714 4.230 1.00 1.00 C ATOM 759 CD1 ILE A 50 0.486 -1.835 4.657 1.00 1.00 C ATOM 0 H ILE A 50 -3.033 0.744 2.242 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.232 0.018 2.803 1.00 1.00 H new ATOM 0 HB ILE A 50 -1.368 0.176 4.748 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -1.430 -2.184 5.562 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -1.311 -2.738 3.903 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -3.500 -0.986 5.253 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -3.679 0.253 3.988 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -3.621 -1.469 3.544 1.00 1.00 H new ATOM 0 HD11 ILE A 50 0.890 -2.786 5.004 1.00 1.00 H new ATOM 0 HD12 ILE A 50 0.889 -1.608 3.670 1.00 1.00 H new ATOM 0 HD13 ILE A 50 0.768 -1.046 5.354 1.00 1.00 H new ATOM 771 N ILE A 51 -0.108 -1.736 1.229 1.00 1.00 N ATOM 772 CA ILE A 51 0.114 -2.655 0.155 1.00 1.00 C ATOM 773 C ILE A 51 1.103 -3.690 0.568 1.00 1.00 C ATOM 774 O ILE A 51 2.167 -3.408 1.119 1.00 1.00 O ATOM 775 CB ILE A 51 0.603 -1.973 -1.088 1.00 1.00 C ATOM 776 CG1 ILE A 51 -0.358 -0.797 -1.329 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.669 -2.953 -2.272 1.00 1.00 C ATOM 778 CD1 ILE A 51 -0.357 -0.233 -2.749 1.00 1.00 C ATOM 0 H ILE A 51 0.763 -1.359 1.604 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.846 -3.118 -0.074 1.00 1.00 H new ATOM 0 HB ILE A 51 1.623 -1.606 -0.978 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -1.370 -1.120 -1.085 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -0.104 0.006 -0.637 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.027 -2.429 -3.158 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.352 -3.768 -2.032 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.325 -3.357 -2.466 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -1.067 0.591 -2.814 1.00 1.00 H new ATOM 0 HD12 ILE A 51 0.641 0.128 -2.996 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -0.644 -1.015 -3.451 1.00 1.00 H new ATOM 790 N ASN A 52 0.752 -4.962 0.311 1.00 1.00 N ATOM 791 CA ASN A 52 1.488 -6.100 0.772 1.00 1.00 C ATOM 792 C ASN A 52 1.037 -7.219 -0.102 1.00 1.00 C ATOM 793 O ASN A 52 0.180 -7.090 -0.976 1.00 1.00 O ATOM 794 CB ASN A 52 1.318 -6.226 2.297 1.00 1.00 C ATOM 795 CG ASN A 52 1.805 -7.489 2.993 1.00 1.00 C ATOM 796 OD1 ASN A 52 2.732 -8.180 2.577 1.00 1.00 O ATOM 797 ND2 ASN A 52 1.165 -7.792 4.154 1.00 1.00 N ATOM 0 H ASN A 52 -0.073 -5.208 -0.237 1.00 1.00 H new ATOM 0 HA ASN A 52 2.573 -6.056 0.676 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.829 -5.380 2.756 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.257 -6.116 2.520 1.00 1.00 H new ATOM 0 HD21 ASN A 52 1.452 -8.606 4.697 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.398 -7.205 4.482 1.00 1.00 H new ATOM 804 N ARG A 53 1.662 -8.399 0.059 1.00 1.00 N ATOM 805 CA ARG A 53 1.615 -9.440 -0.920 1.00 1.00 C ATOM 806 C ARG A 53 1.754 -10.747 -0.218 1.00 1.00 C ATOM 807 O ARG A 53 2.548 -10.899 0.710 1.00 1.00 O ATOM 808 CB ARG A 53 2.814 -9.224 -1.861 1.00 1.00 C ATOM 809 CG ARG A 53 3.108 -10.363 -2.838 1.00 1.00 C ATOM 810 CD ARG A 53 4.256 -10.096 -3.813 1.00 1.00 C ATOM 811 NE ARG A 53 5.536 -10.061 -3.052 1.00 1.00 N ATOM 812 CZ ARG A 53 6.232 -11.166 -2.657 1.00 1.00 C ATOM 813 NH1 ARG A 53 5.765 -12.434 -2.849 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.456 -11.020 -2.069 1.00 1.00 N ATOM 0 H ARG A 53 2.211 -8.635 0.886 1.00 1.00 H new ATOM 0 HA ARG A 53 0.681 -9.431 -1.482 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.641 -8.314 -2.435 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.703 -9.054 -1.253 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.338 -11.262 -2.266 1.00 1.00 H new ATOM 0 HG3 ARG A 53 2.205 -10.572 -3.411 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.292 -10.874 -4.576 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.099 -9.150 -4.330 1.00 1.00 H new ATOM 0 HE ARG A 53 5.919 -9.147 -2.809 1.00 1.00 H new ATOM 0 HH11 ARG A 53 4.864 -12.582 -3.303 1.00 1.00 H new ATOM 0 HH12 ARG A 53 6.317 -13.233 -2.538 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.846 -10.088 -1.927 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.980 -11.843 -1.772 1.00 1.00 H new ATOM 828 N GLN A 54 0.965 -11.754 -0.630 1.00 1.00 N ATOM 829 CA GLN A 54 0.854 -12.961 0.131 1.00 1.00 C ATOM 830 C GLN A 54 0.601 -14.103 -0.790 1.00 1.00 C ATOM 831 O GLN A 54 1.216 -15.162 -0.668 1.00 1.00 O ATOM 832 CB GLN A 54 -0.259 -12.733 1.169 1.00 1.00 C ATOM 833 CG GLN A 54 -1.231 -13.895 1.391 1.00 1.00 C ATOM 834 CD GLN A 54 -2.192 -13.571 2.526 1.00 1.00 C ATOM 835 OE1 GLN A 54 -2.806 -12.506 2.566 1.00 1.00 O ATOM 836 NE2 GLN A 54 -2.317 -14.511 3.501 1.00 1.00 N ATOM 0 H GLN A 54 0.407 -11.735 -1.484 1.00 1.00 H new ATOM 0 HA GLN A 54 1.770 -13.213 0.665 1.00 1.00 H new ATOM 0 HB2 GLN A 54 0.208 -12.491 2.124 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -0.835 -11.859 0.866 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -1.791 -14.090 0.476 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -0.675 -14.803 1.624 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -1.794 -15.384 3.438 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -2.934 -14.343 4.295 1.00 1.00 H new ATOM 845 N GLU A 55 -0.323 -13.928 -1.753 1.00 1.00 N ATOM 846 CA GLU A 55 -0.888 -15.019 -2.484 1.00 1.00 C ATOM 847 C GLU A 55 0.012 -15.590 -3.526 1.00 1.00 C ATOM 848 O GLU A 55 0.803 -14.850 -4.109 1.00 1.00 O ATOM 849 CB GLU A 55 -2.222 -14.612 -3.133 1.00 1.00 C ATOM 850 CG GLU A 55 -3.242 -14.032 -2.151 1.00 1.00 C ATOM 851 CD GLU A 55 -4.638 -13.920 -2.746 1.00 1.00 C ATOM 852 OE1 GLU A 55 -4.876 -14.465 -3.858 1.00 1.00 O ATOM 853 OE2 GLU A 55 -5.518 -13.302 -2.089 1.00 1.00 O ATOM 0 H GLU A 55 -0.683 -13.014 -2.028 1.00 1.00 H new ATOM 0 HA GLU A 55 -1.048 -15.802 -1.743 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -2.025 -13.876 -3.913 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -2.658 -15.484 -3.620 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -3.281 -14.661 -1.261 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -2.909 -13.045 -1.830 1.00 1.00 H new ATOM 860 N PRO A 56 -0.040 -16.855 -3.816 1.00 1.00 N ATOM 861 CA PRO A 56 0.577 -17.410 -4.985 1.00 1.00 C ATOM 862 C PRO A 56 -0.232 -17.143 -6.208 1.00 1.00 C ATOM 863 O PRO A 56 -1.228 -16.421 -6.160 1.00 1.00 O ATOM 864 CB PRO A 56 0.627 -18.904 -4.669 1.00 1.00 C ATOM 865 CG PRO A 56 -0.668 -19.151 -3.878 1.00 1.00 C ATOM 866 CD PRO A 56 -0.810 -17.846 -3.080 1.00 1.00 C ATOM 0 HA PRO A 56 1.557 -16.981 -5.195 1.00 1.00 H new ATOM 0 HB2 PRO A 56 0.662 -19.505 -5.578 1.00 1.00 H new ATOM 0 HB3 PRO A 56 1.510 -19.160 -4.083 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -1.521 -19.322 -4.535 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -0.588 -20.021 -3.226 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -1.855 -17.548 -2.997 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -0.430 -17.963 -2.065 1.00 1.00 H new ATOM 874 N LEU A 57 0.191 -17.712 -7.349 1.00 1.00 N ATOM 875 CA LEU A 57 -0.398 -17.658 -8.652 1.00 1.00 C ATOM 876 C LEU A 57 -0.089 -16.381 -9.355 1.00 1.00 C ATOM 877 O LEU A 57 0.345 -16.403 -10.507 1.00 1.00 O ATOM 878 CB LEU A 57 -1.904 -17.961 -8.732 1.00 1.00 C ATOM 879 CG LEU A 57 -2.265 -19.250 -7.975 1.00 1.00 C ATOM 880 CD1 LEU A 57 -3.790 -19.402 -7.842 1.00 1.00 C ATOM 881 CD2 LEU A 57 -1.657 -20.517 -8.599 1.00 1.00 C ATOM 0 H LEU A 57 1.043 -18.273 -7.357 1.00 1.00 H new ATOM 0 HA LEU A 57 0.083 -18.489 -9.168 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.466 -17.125 -8.316 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.201 -18.057 -9.776 1.00 1.00 H new ATOM 0 HG LEU A 57 -1.824 -19.147 -6.984 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.018 -20.321 -7.303 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -4.194 -18.550 -7.295 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -4.240 -19.442 -8.834 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -1.952 -21.388 -8.014 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -2.017 -20.627 -9.622 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -0.570 -20.435 -8.604 1.00 1.00 H new ATOM 893 N HIS A 58 -0.304 -15.279 -8.617 1.00 1.00 N ATOM 894 CA HIS A 58 -0.013 -13.897 -8.841 1.00 1.00 C ATOM 895 C HIS A 58 -1.125 -13.093 -8.264 1.00 1.00 C ATOM 896 O HIS A 58 -2.062 -12.791 -9.001 1.00 1.00 O ATOM 897 CB HIS A 58 0.101 -13.461 -10.312 1.00 1.00 C ATOM 898 CG HIS A 58 1.388 -13.798 -11.007 1.00 1.00 C ATOM 899 ND1 HIS A 58 1.756 -13.164 -12.164 1.00 1.00 N ATOM 900 CD2 HIS A 58 2.360 -14.713 -10.746 1.00 1.00 C ATOM 901 CE1 HIS A 58 2.889 -13.682 -12.602 1.00 1.00 C ATOM 902 NE2 HIS A 58 3.273 -14.627 -11.764 1.00 1.00 N ATOM 0 H HIS A 58 -0.760 -15.384 -7.711 1.00 1.00 H new ATOM 0 HA HIS A 58 0.963 -13.738 -8.382 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -0.718 -13.917 -10.868 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.042 -12.382 -10.361 1.00 1.00 H new ATOM 0 HD1 HIS A 58 1.237 -12.411 -12.616 1.00 1.00 H new ATOM 0 HD2 HIS A 58 2.404 -15.380 -9.898 1.00 1.00 H new ATOM 0 HE1 HIS A 58 3.414 -13.382 -13.497 1.00 1.00 H new ATOM 910 N GLN A 59 -1.144 -12.679 -6.984 1.00 1.00 N ATOM 911 CA GLN A 59 -2.098 -11.710 -6.542 1.00 1.00 C ATOM 912 C GLN A 59 -1.610 -10.949 -5.357 1.00 1.00 C ATOM 913 O GLN A 59 -0.887 -11.468 -4.508 1.00 1.00 O ATOM 914 CB GLN A 59 -3.491 -12.290 -6.246 1.00 1.00 C ATOM 915 CG GLN A 59 -4.594 -11.235 -6.148 1.00 1.00 C ATOM 916 CD GLN A 59 -6.022 -11.753 -6.234 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.894 -11.068 -6.769 1.00 1.00 O ATOM 918 NE2 GLN A 59 -6.326 -12.946 -5.659 1.00 1.00 N ATOM 0 H GLN A 59 -0.505 -13.011 -6.261 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.209 -11.031 -7.388 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.751 -13.002 -7.029 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -3.450 -12.847 -5.310 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -4.478 -10.703 -5.204 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.444 -10.506 -6.945 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -5.592 -13.502 -5.220 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -7.288 -13.285 -5.667 1.00 1.00 H new ATOM 927 N VAL A 60 -1.966 -9.656 -5.270 1.00 1.00 N ATOM 928 CA VAL A 60 -1.552 -8.704 -4.287 1.00 1.00 C ATOM 929 C VAL A 60 -2.716 -8.016 -3.661 1.00 1.00 C ATOM 930 O VAL A 60 -3.808 -8.026 -4.228 1.00 1.00 O ATOM 931 CB VAL A 60 -0.612 -7.748 -4.961 1.00 1.00 C ATOM 932 CG1 VAL A 60 -0.545 -6.303 -4.437 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.789 -8.371 -4.840 1.00 1.00 C ATOM 0 H VAL A 60 -2.602 -9.241 -5.951 1.00 1.00 H new ATOM 0 HA VAL A 60 -1.041 -9.202 -3.463 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.995 -7.628 -5.974 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.177 -5.736 -5.024 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -1.527 -5.839 -4.523 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -0.237 -6.309 -3.391 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.520 -7.717 -5.315 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.043 -8.495 -3.787 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.798 -9.344 -5.332 1.00 1.00 H new ATOM 943 N TRP A 61 -2.559 -7.407 -2.473 1.00 1.00 N ATOM 944 CA TRP A 61 -3.581 -6.667 -1.799 1.00 1.00 C ATOM 945 C TRP A 61 -3.280 -5.208 -1.812 1.00 1.00 C ATOM 946 O TRP A 61 -2.111 -4.828 -1.812 1.00 1.00 O ATOM 947 CB TRP A 61 -3.784 -7.235 -0.384 1.00 1.00 C ATOM 948 CG TRP A 61 -3.399 -6.411 0.821 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.153 -5.959 1.150 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.297 -5.846 1.794 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.235 -5.017 2.141 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.527 -5.010 2.612 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.640 -6.000 2.002 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.102 -4.350 3.663 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.196 -5.360 3.084 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.440 -4.557 3.904 1.00 1.00 C ATOM 0 H TRP A 61 -1.679 -7.431 -1.958 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.527 -6.779 -2.329 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.840 -7.484 -0.283 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.229 -8.171 -0.328 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.234 -6.296 0.694 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.473 -4.425 2.471 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.243 -6.603 1.339 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.522 -3.685 4.286 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -7.247 -5.491 3.294 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.905 -4.080 4.754 1.00 1.00 H new ATOM 967 N LEU A 62 -4.293 -4.325 -1.757 1.00 1.00 N ATOM 968 CA LEU A 62 -4.058 -2.933 -1.529 1.00 1.00 C ATOM 969 C LEU A 62 -5.262 -2.309 -0.910 1.00 1.00 C ATOM 970 O LEU A 62 -6.382 -2.384 -1.414 1.00 1.00 O ATOM 971 CB LEU A 62 -3.558 -2.124 -2.738 1.00 1.00 C ATOM 972 CG LEU A 62 -4.560 -1.640 -3.800 1.00 1.00 C ATOM 973 CD1 LEU A 62 -3.930 -0.562 -4.697 1.00 1.00 C ATOM 974 CD2 LEU A 62 -5.082 -2.813 -4.646 1.00 1.00 C ATOM 0 H LEU A 62 -5.275 -4.575 -1.870 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.215 -2.895 -0.839 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -3.044 -1.244 -2.351 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -2.810 -2.731 -3.249 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.409 -1.197 -3.279 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.658 -0.236 -5.440 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -3.629 0.289 -4.086 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -3.056 -0.974 -5.202 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.788 -2.440 -5.388 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -4.246 -3.297 -5.151 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -5.582 -3.534 -3.999 1.00 1.00 H new ATOM 986 N ALA A 63 -5.080 -1.669 0.259 1.00 1.00 N ATOM 987 CA ALA A 63 -6.144 -1.045 0.981 1.00 1.00 C ATOM 988 C ALA A 63 -5.937 0.399 1.287 1.00 1.00 C ATOM 989 O ALA A 63 -4.906 0.818 1.810 1.00 1.00 O ATOM 990 CB ALA A 63 -6.464 -1.821 2.269 1.00 1.00 C ATOM 0 H ALA A 63 -4.171 -1.583 0.713 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.996 -1.080 0.302 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -7.277 -1.326 2.800 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.763 -2.838 2.016 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.580 -1.850 2.905 1.00 1.00 H new ATOM 996 N THR A 64 -6.967 1.204 0.970 1.00 1.00 N ATOM 997 CA THR A 64 -7.002 2.613 1.223 1.00 1.00 C ATOM 998 C THR A 64 -8.197 2.980 2.035 1.00 1.00 C ATOM 999 O THR A 64 -8.207 2.784 3.249 1.00 1.00 O ATOM 1000 CB THR A 64 -6.909 3.467 -0.006 1.00 1.00 C ATOM 1001 OG1 THR A 64 -5.871 2.999 -0.857 1.00 1.00 O ATOM 1002 CG2 THR A 64 -6.549 4.902 0.416 1.00 1.00 C ATOM 0 H THR A 64 -7.813 0.858 0.517 1.00 1.00 H new ATOM 0 HA THR A 64 -6.098 2.826 1.794 1.00 1.00 H new ATOM 0 HB THR A 64 -7.864 3.431 -0.530 1.00 1.00 H new ATOM 0 HG1 THR A 64 -6.249 2.748 -1.726 1.00 1.00 H new ATOM 0 HG21 THR A 64 -6.478 5.534 -0.469 1.00 1.00 H new ATOM 0 HG22 THR A 64 -7.322 5.291 1.079 1.00 1.00 H new ATOM 0 HG23 THR A 64 -5.592 4.899 0.937 1.00 1.00 H new ATOM 1010 N LYS A 65 -9.258 3.542 1.428 1.00 1.00 N ATOM 1011 CA LYS A 65 -10.293 4.230 2.134 1.00 1.00 C ATOM 1012 C LYS A 65 -11.642 3.685 1.809 1.00 1.00 C ATOM 1013 O LYS A 65 -12.492 3.525 2.682 1.00 1.00 O ATOM 1014 CB LYS A 65 -10.199 5.739 1.856 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.933 6.639 2.854 1.00 1.00 C ATOM 1016 CD LYS A 65 -12.351 7.007 2.417 1.00 1.00 C ATOM 1017 CE LYS A 65 -13.098 7.992 3.320 1.00 1.00 C ATOM 1018 NZ LYS A 65 -13.629 7.337 4.536 1.00 1.00 N ATOM 0 H LYS A 65 -9.399 3.517 0.418 1.00 1.00 H new ATOM 0 HA LYS A 65 -10.150 4.069 3.202 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.147 6.024 1.842 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.595 5.933 0.859 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -10.978 6.135 3.820 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.357 7.553 2.998 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.302 7.430 1.414 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -12.938 6.091 2.348 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -12.426 8.801 3.608 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -13.919 8.443 2.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -14.127 8.039 5.119 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.290 6.582 4.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -12.843 6.929 5.082 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.902 3.358 0.530 1.00 1.00 N ATOM 1033 CA GLN A 66 -13.187 2.965 0.046 1.00 1.00 C ATOM 1034 C GLN A 66 -13.504 1.543 0.355 1.00 1.00 C ATOM 1035 O GLN A 66 -14.662 1.137 0.433 1.00 1.00 O ATOM 1036 CB GLN A 66 -13.255 3.315 -1.451 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.640 3.278 -2.097 1.00 1.00 C ATOM 1038 CD GLN A 66 -14.899 1.969 -2.831 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -14.156 1.601 -3.739 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -15.989 1.244 -2.459 1.00 1.00 N ATOM 0 H GLN A 66 -11.186 3.368 -0.196 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.970 3.516 0.566 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -12.842 4.314 -1.587 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -12.607 2.626 -1.993 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -15.401 3.418 -1.329 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -14.735 4.109 -2.796 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -16.587 1.575 -1.702 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -16.208 0.370 -2.937 1.00 1.00 H new ATOM 1049 N GLY A 67 -12.473 0.702 0.559 1.00 1.00 N ATOM 1050 CA GLY A 67 -12.675 -0.629 1.040 1.00 1.00 C ATOM 1051 C GLY A 67 -11.393 -1.350 1.278 1.00 1.00 C ATOM 1052 O GLY A 67 -11.061 -1.731 2.400 1.00 1.00 O ATOM 0 H GLY A 67 -11.497 0.946 0.390 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -13.246 -0.594 1.968 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -13.273 -1.186 0.319 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.615 -1.551 0.200 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.441 -2.368 0.179 1.00 1.00 C ATOM 1058 C GLY A 68 -9.690 -3.630 -0.573 1.00 1.00 C ATOM 1059 O GLY A 68 -10.422 -4.523 -0.148 1.00 1.00 O ATOM 0 H GLY A 68 -10.815 -1.122 -0.703 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.619 -1.820 -0.282 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -9.136 -2.601 1.199 1.00 1.00 H new ATOM 1063 N TYR A 69 -9.061 -3.716 -1.758 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.313 -4.715 -2.751 1.00 1.00 C ATOM 1065 C TYR A 69 -8.044 -5.448 -3.023 1.00 1.00 C ATOM 1066 O TYR A 69 -6.970 -5.091 -2.543 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.847 -4.052 -4.031 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.148 -3.347 -3.855 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -12.120 -3.756 -2.972 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.411 -2.268 -4.664 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.343 -3.130 -2.918 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.624 -1.622 -4.604 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.601 -2.060 -3.741 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.863 -1.426 -3.747 1.00 1.00 O ATOM 0 H TYR A 69 -8.338 -3.054 -2.039 1.00 1.00 H new ATOM 0 HA TYR A 69 -10.065 -5.420 -2.396 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -9.106 -3.339 -4.394 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.961 -4.814 -4.802 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.919 -4.584 -2.309 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.656 -1.923 -5.355 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -14.099 -3.478 -2.230 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.810 -0.767 -5.237 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.746 -0.467 -3.911 1.00 1.00 H new ATOM 1084 N HIS A 70 -8.111 -6.551 -3.789 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.947 -7.234 -4.261 1.00 1.00 C ATOM 1086 C HIS A 70 -6.884 -7.167 -5.749 1.00 1.00 C ATOM 1087 O HIS A 70 -7.837 -6.775 -6.419 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.807 -8.652 -3.681 1.00 1.00 C ATOM 1089 CG HIS A 70 -8.089 -9.426 -3.602 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.529 -10.254 -4.601 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -9.075 -9.393 -2.665 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -9.733 -10.699 -4.293 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -10.094 -10.179 -3.135 1.00 1.00 N ATOM 0 H HIS A 70 -8.989 -6.976 -4.086 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.065 -6.717 -3.884 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -6.098 -9.211 -4.291 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.380 -8.580 -2.681 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -8.010 -10.489 -5.447 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -9.058 -8.852 -1.731 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -10.325 -11.377 -4.890 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.674 -7.410 -6.282 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.151 -6.762 -7.445 1.00 1.00 C ATOM 1103 C PHE A 71 -4.520 -7.769 -8.344 1.00 1.00 C ATOM 1104 O PHE A 71 -3.606 -8.477 -7.922 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.146 -5.789 -6.807 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.281 -4.960 -7.693 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.815 -3.974 -8.490 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -1.916 -5.099 -7.614 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -2.981 -3.149 -9.209 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.077 -4.280 -8.333 1.00 1.00 C ATOM 1111 CZ PHE A 71 -1.619 -3.313 -9.146 1.00 1.00 C ATOM 0 H PHE A 71 -5.029 -8.092 -5.883 1.00 1.00 H new ATOM 0 HA PHE A 71 -5.877 -6.256 -8.082 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.708 -5.109 -6.166 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.491 -6.371 -6.158 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -4.886 -3.848 -8.551 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -1.496 -5.863 -6.977 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -3.400 -2.368 -9.826 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.006 -4.395 -8.260 1.00 1.00 H new ATOM 0 HZ PHE A 71 -0.972 -2.681 -9.736 1.00 1.00 H new ATOM 1121 N ASP A 72 -4.996 -7.895 -9.595 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.516 -8.867 -10.528 1.00 1.00 C ATOM 1123 C ASP A 72 -4.408 -8.272 -11.889 1.00 1.00 C ATOM 1124 O ASP A 72 -4.904 -7.179 -12.162 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.463 -10.078 -10.458 1.00 1.00 C ATOM 1126 CG ASP A 72 -5.071 -11.319 -11.245 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -3.900 -11.471 -11.681 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -5.961 -12.193 -11.430 1.00 1.00 O ATOM 0 H ASP A 72 -5.737 -7.303 -9.969 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.509 -9.202 -10.280 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -5.569 -10.363 -9.411 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -6.446 -9.757 -10.802 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.707 -8.948 -12.815 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.285 -8.426 -14.078 1.00 1.00 C ATOM 1135 C LEU A 73 -4.117 -8.903 -15.218 1.00 1.00 C ATOM 1136 O LEU A 73 -4.224 -10.096 -15.498 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.810 -8.784 -14.331 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.199 -8.327 -15.667 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -1.278 -6.806 -15.878 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.267 -8.779 -15.759 1.00 1.00 C ATOM 0 H LEU A 73 -3.418 -9.916 -12.674 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.409 -7.344 -14.023 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.215 -8.358 -13.523 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.708 -9.867 -14.265 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.791 -8.794 -16.454 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.830 -6.548 -16.838 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -2.321 -6.491 -15.868 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.738 -6.299 -15.078 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.690 -8.451 -16.708 1.00 1.00 H new ATOM 0 HD22 LEU A 73 0.835 -8.342 -14.938 1.00 1.00 H new ATOM 0 HD23 LEU A 73 0.317 -9.866 -15.696 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.729 -7.962 -15.959 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.405 -8.237 -17.189 1.00 1.00 C ATOM 1154 C LYS A 74 -4.660 -7.603 -18.313 1.00 1.00 C ATOM 1155 O LYS A 74 -4.952 -6.487 -18.739 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.841 -7.692 -17.095 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.762 -8.635 -16.319 1.00 1.00 C ATOM 1158 CD LYS A 74 -8.271 -9.777 -17.200 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.161 -10.795 -16.485 1.00 1.00 C ATOM 1160 NZ LYS A 74 -8.358 -11.685 -15.616 1.00 1.00 N ATOM 0 H LYS A 74 -4.754 -6.977 -15.693 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.449 -9.310 -17.373 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -6.828 -6.717 -16.608 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -7.238 -7.542 -18.099 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.226 -9.046 -15.464 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -8.609 -8.074 -15.924 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -8.829 -9.352 -18.035 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.413 -10.300 -17.623 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.908 -10.273 -15.886 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.702 -11.390 -17.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -8.985 -12.366 -15.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -7.662 -12.199 -16.194 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -7.862 -11.116 -14.901 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.636 -8.292 -18.846 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.903 -7.870 -19.999 1.00 1.00 C ATOM 1176 C GLY A 75 -1.976 -6.728 -19.767 1.00 1.00 C ATOM 1177 O GLY A 75 -0.837 -6.911 -19.339 1.00 1.00 O ATOM 0 H GLY A 75 -3.306 -9.176 -18.460 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -2.328 -8.716 -20.376 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -3.611 -7.592 -20.780 1.00 1.00 H new ATOM 1181 N ASP A 76 -2.441 -5.502 -20.059 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.694 -4.285 -19.974 1.00 1.00 C ATOM 1183 C ASP A 76 -2.053 -3.464 -18.783 1.00 1.00 C ATOM 1184 O ASP A 76 -1.461 -2.414 -18.544 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.942 -3.437 -21.232 1.00 1.00 C ATOM 1186 CG ASP A 76 -1.497 -4.177 -22.486 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -0.287 -4.509 -22.599 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -2.349 -4.422 -23.381 1.00 1.00 O ATOM 0 H ASP A 76 -3.399 -5.350 -20.374 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.646 -4.570 -19.885 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -3.002 -3.192 -21.307 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.402 -2.494 -21.151 1.00 1.00 H new ATOM 1193 N GLU A 77 -3.052 -3.881 -17.983 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.605 -3.058 -16.954 1.00 1.00 C ATOM 1195 C GLU A 77 -4.078 -3.984 -15.886 1.00 1.00 C ATOM 1196 O GLU A 77 -4.724 -5.001 -16.130 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.736 -2.154 -17.472 1.00 1.00 C ATOM 1198 CG GLU A 77 -5.263 -1.162 -16.432 1.00 1.00 C ATOM 1199 CD GLU A 77 -6.153 -0.086 -17.038 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -7.221 -0.421 -17.618 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -5.802 1.118 -16.919 1.00 1.00 O ATOM 0 H GLU A 77 -3.482 -4.804 -18.052 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.853 -2.369 -16.569 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.377 -1.600 -18.339 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -5.561 -2.780 -17.813 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -5.824 -1.705 -15.671 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -4.420 -0.688 -15.929 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.726 -3.681 -14.623 1.00 1.00 N ATOM 1209 CA TRP A 78 -4.168 -4.460 -13.508 1.00 1.00 C ATOM 1210 C TRP A 78 -5.563 -4.064 -13.166 1.00 1.00 C ATOM 1211 O TRP A 78 -5.893 -2.890 -13.004 1.00 1.00 O ATOM 1212 CB TRP A 78 -3.233 -4.336 -12.294 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.820 -4.848 -12.437 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.795 -4.424 -13.234 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -1.254 -5.848 -11.568 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.361 -5.093 -12.927 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.104 -5.960 -11.893 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.795 -6.590 -10.556 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 0.923 -6.807 -11.197 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.965 -7.435 -9.855 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.372 -7.529 -10.165 1.00 1.00 C ATOM 0 H TRP A 78 -3.131 -2.891 -14.373 1.00 1.00 H new ATOM 0 HA TRP A 78 -4.145 -5.512 -13.791 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -3.181 -3.283 -12.018 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.697 -4.862 -11.459 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.883 -3.667 -13.999 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.262 -4.968 -13.389 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.845 -6.515 -10.313 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 1.968 -6.905 -11.450 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.369 -8.032 -9.051 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.003 -8.185 -9.584 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.469 -5.056 -13.083 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.843 -4.904 -12.722 1.00 1.00 C ATOM 1234 C ILE A 79 -7.977 -5.366 -11.312 1.00 1.00 C ATOM 1235 O ILE A 79 -7.422 -6.373 -10.871 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.758 -5.611 -13.678 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.587 -4.892 -15.027 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -10.219 -5.583 -13.199 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.644 -5.192 -16.089 1.00 1.00 C ATOM 0 H ILE A 79 -6.224 -6.026 -13.281 1.00 1.00 H new ATOM 0 HA ILE A 79 -8.151 -3.860 -12.789 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.505 -6.668 -13.757 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.580 -3.817 -14.844 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -7.610 -5.153 -15.433 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -10.848 -6.106 -13.920 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -10.293 -6.074 -12.229 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -10.553 -4.549 -13.109 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -9.419 -4.629 -16.995 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -9.641 -6.258 -16.314 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -10.627 -4.903 -15.716 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.723 -4.581 -10.515 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.967 -4.918 -9.147 1.00 1.00 C ATOM 1253 C CYS A 80 -10.076 -5.910 -9.078 1.00 1.00 C ATOM 1254 O CYS A 80 -11.101 -5.796 -9.749 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.232 -3.702 -8.245 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.855 -3.390 -7.099 1.00 1.00 S ATOM 0 H CYS A 80 -9.159 -3.710 -10.819 1.00 1.00 H new ATOM 0 HA CYS A 80 -8.053 -5.360 -8.751 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.395 -2.820 -8.864 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -10.147 -3.865 -7.676 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.484 -4.509 -6.551 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.897 -6.968 -8.265 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.654 -8.181 -8.317 1.00 1.00 C ATOM 1264 C ASP A 81 -12.014 -8.111 -7.712 1.00 1.00 C ATOM 1265 O ASP A 81 -12.885 -8.927 -8.010 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.782 -9.245 -7.629 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.280 -10.664 -7.863 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -10.582 -10.993 -9.042 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.354 -11.452 -6.883 1.00 1.00 O ATOM 0 H ASP A 81 -9.187 -6.977 -7.533 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.869 -8.419 -9.359 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.759 -9.160 -7.995 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.755 -9.047 -6.557 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.273 -7.134 -6.824 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.510 -7.048 -6.111 1.00 1.00 C ATOM 1276 C ARG A 82 -14.598 -6.391 -6.888 1.00 1.00 C ATOM 1277 O ARG A 82 -15.338 -7.057 -7.610 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.272 -6.390 -4.743 1.00 1.00 C ATOM 1279 CG ARG A 82 -12.493 -7.284 -3.777 1.00 1.00 C ATOM 1280 CD ARG A 82 -13.340 -7.972 -2.704 1.00 1.00 C ATOM 1281 NE ARG A 82 -14.362 -8.820 -3.381 1.00 1.00 N ATOM 1282 CZ ARG A 82 -14.228 -10.154 -3.639 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -13.087 -10.833 -3.325 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.242 -10.838 -4.245 1.00 1.00 N ATOM 0 H ARG A 82 -11.612 -6.391 -6.597 1.00 1.00 H new ATOM 0 HA ARG A 82 -13.873 -8.063 -5.948 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.727 -5.457 -4.885 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -14.233 -6.134 -4.297 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -11.973 -8.049 -4.353 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -11.729 -6.682 -3.285 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -12.710 -8.582 -2.057 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -13.824 -7.230 -2.069 1.00 1.00 H new ATOM 0 HE ARG A 82 -15.228 -8.369 -3.674 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -12.307 -10.344 -2.886 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -13.014 -11.830 -3.529 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -16.100 -10.353 -4.505 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -15.141 -11.835 -4.437 1.00 1.00 H new ATOM 1298 N SER A 83 -14.761 -5.059 -6.802 1.00 1.00 N ATOM 1299 CA SER A 83 -15.822 -4.364 -7.465 1.00 1.00 C ATOM 1300 C SER A 83 -15.660 -4.271 -8.943 1.00 1.00 C ATOM 1301 O SER A 83 -16.646 -4.230 -9.676 1.00 1.00 O ATOM 1302 CB SER A 83 -16.007 -2.949 -6.893 1.00 1.00 C ATOM 1303 OG SER A 83 -14.781 -2.234 -6.885 1.00 1.00 O ATOM 0 H SER A 83 -14.144 -4.452 -6.262 1.00 1.00 H new ATOM 0 HA SER A 83 -16.709 -4.968 -7.274 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.743 -2.407 -7.487 1.00 1.00 H new ATOM 0 HB3 SER A 83 -16.400 -3.013 -5.878 1.00 1.00 H new ATOM 0 HG SER A 83 -14.408 -2.234 -5.979 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.405 -4.247 -9.427 1.00 1.00 N ATOM 1310 CA GLY A 84 -14.075 -3.994 -10.795 1.00 1.00 C ATOM 1311 C GLY A 84 -13.502 -2.625 -10.929 1.00 1.00 C ATOM 1312 O GLY A 84 -14.198 -1.667 -11.259 1.00 1.00 O ATOM 0 H GLY A 84 -13.587 -4.411 -8.841 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -13.358 -4.735 -11.149 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.965 -4.089 -11.417 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.191 -2.487 -10.665 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.518 -1.229 -10.560 1.00 1.00 C ATOM 1318 C GLU A 85 -10.193 -1.425 -11.213 1.00 1.00 C ATOM 1319 O GLU A 85 -9.948 -2.464 -11.825 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.344 -0.768 -9.103 1.00 1.00 C ATOM 1321 CG GLU A 85 -12.623 -0.328 -8.391 1.00 1.00 C ATOM 1322 CD GLU A 85 -12.944 1.150 -8.545 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -13.303 1.589 -9.670 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -12.881 1.881 -7.519 1.00 1.00 O ATOM 0 H GLU A 85 -11.573 -3.285 -10.518 1.00 1.00 H new ATOM 0 HA GLU A 85 -12.104 -0.445 -11.040 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -10.895 -1.582 -8.534 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -10.636 0.061 -9.085 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -13.459 -0.912 -8.776 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -12.533 -0.560 -7.330 1.00 1.00 H new ATOM 1331 N THR A 86 -9.273 -0.448 -11.128 1.00 1.00 N ATOM 1332 CA THR A 86 -8.242 -0.314 -12.110 1.00 1.00 C ATOM 1333 C THR A 86 -6.974 0.177 -11.504 1.00 1.00 C ATOM 1334 O THR A 86 -7.017 1.186 -10.802 1.00 1.00 O ATOM 1335 CB THR A 86 -8.610 0.770 -13.082 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.901 0.588 -13.643 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.649 0.729 -14.281 1.00 1.00 C ATOM 0 H THR A 86 -9.243 0.247 -10.382 1.00 1.00 H new ATOM 0 HA THR A 86 -8.125 -1.296 -12.568 1.00 1.00 H new ATOM 0 HB THR A 86 -8.568 1.703 -12.520 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.093 1.319 -14.266 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.915 1.515 -14.987 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.627 0.883 -13.934 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.722 -0.241 -14.773 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.805 -0.431 -11.774 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.477 -0.079 -11.376 1.00 1.00 C ATOM 1347 C PHE A 87 -4.156 1.319 -10.972 1.00 1.00 C ATOM 1348 O PHE A 87 -4.337 1.746 -9.833 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.577 -0.523 -12.542 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.105 -0.616 -12.329 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.475 -0.444 -11.119 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.346 -0.912 -13.437 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -0.112 -0.587 -11.011 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.015 -1.078 -13.335 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.633 -0.929 -12.115 1.00 1.00 C ATOM 0 H PHE A 87 -5.795 -1.277 -12.344 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.317 -0.582 -10.422 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.924 -1.503 -12.869 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.746 0.167 -13.368 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -2.057 -0.194 -10.244 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.825 -1.015 -14.399 1.00 1.00 H new ATOM 0 HE1 PHE A 87 0.374 -0.431 -10.059 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.597 -1.325 -14.210 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.699 -1.080 -12.025 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.617 2.111 -11.914 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.011 3.382 -11.661 1.00 1.00 C ATOM 1367 C TRP A 88 -4.040 4.401 -11.312 1.00 1.00 C ATOM 1368 O TRP A 88 -3.785 5.361 -10.586 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.304 3.864 -12.938 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.181 3.026 -13.501 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -1.091 2.570 -14.785 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.070 2.693 -12.868 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.154 2.047 -15.017 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.868 2.083 -13.842 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.538 2.887 -11.596 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.131 1.652 -13.541 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.807 2.446 -11.306 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.591 1.840 -12.259 1.00 1.00 C ATOM 0 H TRP A 88 -3.603 1.853 -12.901 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.311 3.265 -10.834 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -3.060 3.970 -13.716 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.908 4.860 -12.741 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.887 2.615 -15.513 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.494 1.691 -15.910 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.070 3.370 -10.846 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.749 1.178 -14.289 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.197 2.578 -10.308 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.584 1.506 -11.996 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.262 4.165 -11.822 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.411 5.007 -11.698 1.00 1.00 C ATOM 1391 C ASP A 89 -7.086 4.870 -10.376 1.00 1.00 C ATOM 1392 O ASP A 89 -7.438 5.875 -9.763 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.329 4.710 -12.897 1.00 1.00 C ATOM 1394 CG ASP A 89 -6.695 5.301 -14.147 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -6.777 6.544 -14.329 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -6.095 4.543 -14.954 1.00 1.00 O ATOM 0 H ASP A 89 -5.460 3.322 -12.361 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.116 6.056 -11.723 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.465 3.635 -13.013 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.317 5.140 -12.734 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.257 3.656 -9.821 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.823 3.485 -8.519 1.00 1.00 C ATOM 1403 C LEU A 90 -6.895 3.956 -7.453 1.00 1.00 C ATOM 1404 O LEU A 90 -7.293 4.597 -6.482 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.379 2.097 -8.159 1.00 1.00 C ATOM 1406 CG LEU A 90 -7.671 1.134 -7.191 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -8.691 0.171 -6.559 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -6.549 0.290 -7.817 1.00 1.00 C ATOM 0 H LEU A 90 -6.999 2.783 -10.281 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.711 4.115 -8.572 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.379 2.260 -7.757 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -8.497 1.558 -9.099 1.00 1.00 H new ATOM 0 HG LEU A 90 -7.205 1.784 -6.450 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -8.178 -0.506 -5.876 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -9.439 0.743 -6.010 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -9.180 -0.407 -7.343 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -6.112 -0.356 -7.056 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -6.959 -0.322 -8.621 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -5.779 0.949 -8.219 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.600 3.657 -7.655 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.491 4.150 -6.900 1.00 1.00 C ATOM 1422 C LEU A 91 -4.444 5.636 -6.811 1.00 1.00 C ATOM 1423 O LEU A 91 -4.319 6.195 -5.722 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.172 3.586 -7.458 1.00 1.00 C ATOM 1425 CG LEU A 91 -1.898 3.903 -6.660 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -1.941 3.332 -5.233 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -0.667 3.353 -7.397 1.00 1.00 C ATOM 0 H LEU A 91 -5.308 3.025 -8.400 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.629 3.798 -5.878 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.268 2.503 -7.531 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.042 3.963 -8.472 1.00 1.00 H new ATOM 0 HG LEU A 91 -1.833 4.988 -6.578 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.017 3.584 -4.712 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -2.788 3.758 -4.696 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -2.048 2.248 -5.278 1.00 1.00 H new ATOM 0 HD21 LEU A 91 0.232 3.582 -6.825 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -0.762 2.273 -7.507 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -0.597 3.814 -8.382 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.613 6.342 -7.943 1.00 1.00 N ATOM 1440 CA GLU A 92 -4.802 7.758 -8.008 1.00 1.00 C ATOM 1441 C GLU A 92 -5.962 8.249 -7.215 1.00 1.00 C ATOM 1442 O GLU A 92 -5.800 9.089 -6.329 1.00 1.00 O ATOM 1443 CB GLU A 92 -4.955 8.229 -9.465 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.320 9.706 -9.628 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.311 10.137 -11.088 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -4.209 10.399 -11.640 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -6.414 10.238 -11.689 1.00 1.00 O ATOM 0 H GLU A 92 -4.618 5.901 -8.863 1.00 1.00 H new ATOM 0 HA GLU A 92 -3.903 8.185 -7.564 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.020 8.040 -9.993 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -5.722 7.624 -9.949 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -6.308 9.884 -9.203 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.615 10.318 -9.065 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.180 7.735 -7.462 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.381 8.095 -6.774 1.00 1.00 C ATOM 1456 C GLN A 93 -8.294 7.936 -5.295 1.00 1.00 C ATOM 1457 O GLN A 93 -8.712 8.818 -4.546 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.542 7.246 -7.317 1.00 1.00 C ATOM 1459 CG GLN A 93 -9.991 7.642 -8.725 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.008 6.650 -9.272 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -10.756 5.905 -10.217 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.222 6.617 -8.662 1.00 1.00 N ATOM 0 H GLN A 93 -7.335 7.029 -8.182 1.00 1.00 H new ATOM 0 HA GLN A 93 -8.548 9.156 -6.958 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.242 6.198 -7.323 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -10.390 7.331 -6.638 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -10.427 8.641 -8.704 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -9.127 7.685 -9.388 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -12.416 7.241 -7.879 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -12.939 5.968 -8.987 1.00 1.00 H new ATOM 1471 N ALA A 94 -7.700 6.822 -4.831 1.00 1.00 N ATOM 1472 CA ALA A 94 -7.389 6.515 -3.471 1.00 1.00 C ATOM 1473 C ALA A 94 -6.482 7.495 -2.811 1.00 1.00 C ATOM 1474 O ALA A 94 -6.799 8.074 -1.774 1.00 1.00 O ATOM 1475 CB ALA A 94 -6.733 5.123 -3.453 1.00 1.00 C ATOM 0 H ALA A 94 -7.414 6.074 -5.463 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.320 6.551 -2.905 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.480 4.853 -2.428 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.427 4.388 -3.861 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -5.826 5.140 -4.057 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.298 7.753 -3.396 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.334 8.661 -2.859 1.00 1.00 C ATOM 1483 C ALA A 95 -4.800 10.076 -2.846 1.00 1.00 C ATOM 1484 O ALA A 95 -4.636 10.785 -1.855 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.016 8.494 -3.637 1.00 1.00 C ATOM 0 H ALA A 95 -5.003 7.316 -4.269 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.176 8.413 -1.809 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.269 9.181 -3.239 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -2.659 7.469 -3.533 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.185 8.713 -4.691 1.00 1.00 H new ATOM 1491 N THR A 96 -5.485 10.528 -3.911 1.00 1.00 N ATOM 1492 CA THR A 96 -6.203 11.764 -3.966 1.00 1.00 C ATOM 1493 C THR A 96 -7.235 11.922 -2.904 1.00 1.00 C ATOM 1494 O THR A 96 -7.296 12.972 -2.265 1.00 1.00 O ATOM 1495 CB THR A 96 -6.831 12.032 -5.301 1.00 1.00 C ATOM 1496 OG1 THR A 96 -5.813 12.257 -6.265 1.00 1.00 O ATOM 1497 CG2 THR A 96 -7.701 13.300 -5.338 1.00 1.00 C ATOM 0 H THR A 96 -5.541 10.001 -4.783 1.00 1.00 H new ATOM 0 HA THR A 96 -5.423 12.505 -3.789 1.00 1.00 H new ATOM 0 HB THR A 96 -7.450 11.158 -5.505 1.00 1.00 H new ATOM 0 HG1 THR A 96 -5.064 12.730 -5.846 1.00 1.00 H new ATOM 0 HG21 THR A 96 -8.120 13.425 -6.337 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.511 13.207 -4.614 1.00 1.00 H new ATOM 0 HG23 THR A 96 -7.090 14.168 -5.090 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.074 10.906 -2.633 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.100 11.029 -1.643 1.00 1.00 C ATOM 1507 C GLN A 97 -8.595 11.045 -0.241 1.00 1.00 C ATOM 1508 O GLN A 97 -9.252 11.589 0.645 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.266 10.042 -1.818 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.025 8.591 -1.399 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.175 7.666 -1.775 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -11.008 6.649 -2.446 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -12.398 8.012 -1.291 1.00 1.00 N ATOM 0 H GLN A 97 -8.042 9.999 -3.099 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.512 12.021 -1.830 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.116 10.420 -1.251 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.557 10.046 -2.869 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -9.108 8.231 -1.866 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.871 8.550 -0.321 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -12.506 8.862 -0.737 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.208 7.422 -1.482 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.389 10.508 0.010 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.681 10.707 1.238 1.00 1.00 C ATOM 1524 C GLN A 98 -6.121 12.081 1.366 1.00 1.00 C ATOM 1525 O GLN A 98 -6.420 12.797 2.321 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.545 9.682 1.402 1.00 1.00 C ATOM 1527 CG GLN A 98 -5.956 8.209 1.388 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.441 7.633 2.710 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -5.823 6.733 3.280 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -7.605 8.119 3.218 1.00 1.00 N ATOM 0 H GLN A 98 -6.891 9.919 -0.658 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.418 10.567 2.029 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -4.821 9.843 0.604 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.033 9.886 2.343 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -6.746 8.081 0.648 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.104 7.619 1.049 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -8.102 8.865 2.731 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -7.981 7.738 4.086 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.275 12.514 0.414 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.509 13.719 0.488 1.00 1.00 C ATOM 1541 C ALA A 99 -5.228 14.997 0.226 1.00 1.00 C ATOM 1542 O ALA A 99 -4.968 16.013 0.870 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.400 13.629 -0.573 1.00 1.00 C ATOM 0 H ALA A 99 -5.118 11.997 -0.451 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.174 13.768 1.524 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.795 14.535 -0.544 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.769 12.764 -0.367 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.849 13.524 -1.561 1.00 1.00 H new ATOM 1549 N GLY A 100 -6.110 15.030 -0.787 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.655 16.230 -1.343 1.00 1.00 C ATOM 1551 C GLY A 100 -5.753 16.828 -2.366 1.00 1.00 C ATOM 1552 O GLY A 100 -5.531 18.037 -2.398 1.00 1.00 O ATOM 0 H GLY A 100 -6.459 14.185 -1.239 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.623 16.014 -1.795 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.829 16.953 -0.546 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.184 15.984 -3.247 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.139 16.369 -4.145 1.00 1.00 C ATOM 1558 C GLU A 101 -4.092 15.355 -5.235 1.00 1.00 C ATOM 1559 O GLU A 101 -4.490 14.215 -5.003 1.00 1.00 O ATOM 1560 CB GLU A 101 -2.804 16.375 -3.379 1.00 1.00 C ATOM 1561 CG GLU A 101 -1.564 16.831 -4.151 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.526 18.345 -4.282 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -2.376 18.923 -5.013 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -0.654 18.981 -3.632 1.00 1.00 O ATOM 0 H GLU A 101 -5.459 15.006 -3.337 1.00 1.00 H new ATOM 0 HA GLU A 101 -4.316 17.362 -4.558 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -2.916 17.019 -2.507 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -2.621 15.366 -3.009 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -0.666 16.485 -3.640 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -1.562 16.377 -5.142 1.00 1.00 H new ATOM 1571 N THR A 102 -3.613 15.641 -6.459 1.00 1.00 N ATOM 1572 CA THR A 102 -3.357 14.606 -7.412 1.00 1.00 C ATOM 1573 C THR A 102 -2.072 13.917 -7.105 1.00 1.00 C ATOM 1574 O THR A 102 -0.990 14.339 -7.512 1.00 1.00 O ATOM 1575 CB THR A 102 -3.357 14.972 -8.866 1.00 1.00 C ATOM 1576 OG1 THR A 102 -4.613 15.506 -9.263 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.139 13.735 -9.754 1.00 1.00 C ATOM 0 H THR A 102 -3.404 16.584 -6.788 1.00 1.00 H new ATOM 0 HA THR A 102 -4.228 13.962 -7.288 1.00 1.00 H new ATOM 0 HB THR A 102 -2.555 15.699 -8.988 1.00 1.00 H new ATOM 0 HG1 THR A 102 -4.584 15.737 -10.215 1.00 1.00 H new ATOM 0 HG21 THR A 102 -3.144 14.034 -10.802 1.00 1.00 H new ATOM 0 HG22 THR A 102 -2.180 13.278 -9.512 1.00 1.00 H new ATOM 0 HG23 THR A 102 -3.938 13.015 -9.578 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.159 12.809 -6.347 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.061 11.998 -5.920 1.00 1.00 C ATOM 1587 C VAL A 103 -1.094 10.755 -6.742 1.00 1.00 C ATOM 1588 O VAL A 103 -1.777 9.777 -6.445 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.213 11.640 -4.471 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.019 10.826 -3.944 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.367 12.912 -3.618 1.00 1.00 C ATOM 0 H VAL A 103 -3.056 12.457 -6.011 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.119 12.532 -6.042 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.108 11.023 -4.392 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.175 10.591 -2.891 1.00 1.00 H new ATOM 0 HG12 VAL A 103 0.070 9.901 -4.513 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.896 11.409 -4.054 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.476 12.636 -2.569 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.484 13.540 -3.738 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.250 13.463 -3.942 1.00 1.00 H new ATOM 1601 N SER A 104 -0.394 10.781 -7.891 1.00 1.00 N ATOM 1602 CA SER A 104 -0.458 9.722 -8.850 1.00 1.00 C ATOM 1603 C SER A 104 0.844 9.438 -9.519 1.00 1.00 C ATOM 1604 O SER A 104 1.865 10.051 -9.214 1.00 1.00 O ATOM 1605 CB SER A 104 -1.652 9.868 -9.808 1.00 1.00 C ATOM 1606 OG SER A 104 -1.561 10.912 -10.766 1.00 1.00 O ATOM 0 H SER A 104 0.224 11.547 -8.158 1.00 1.00 H new ATOM 0 HA SER A 104 -0.658 8.812 -8.284 1.00 1.00 H new ATOM 0 HB2 SER A 104 -1.783 8.925 -10.339 1.00 1.00 H new ATOM 0 HB3 SER A 104 -2.552 10.026 -9.213 1.00 1.00 H new ATOM 0 HG SER A 104 -2.397 10.964 -11.274 1.00 1.00 H new ATOM 1612 N PHE A 105 0.889 8.433 -10.411 1.00 1.00 N ATOM 1613 CA PHE A 105 2.051 8.078 -11.165 1.00 1.00 C ATOM 1614 C PHE A 105 1.880 8.447 -12.599 1.00 1.00 C ATOM 1615 O PHE A 105 2.828 8.902 -13.237 1.00 1.00 O ATOM 1616 CB PHE A 105 2.401 6.608 -10.883 1.00 1.00 C ATOM 1617 CG PHE A 105 3.122 5.851 -11.946 1.00 1.00 C ATOM 1618 CD1 PHE A 105 2.414 5.355 -13.015 1.00 1.00 C ATOM 1619 CD2 PHE A 105 4.472 5.601 -11.881 1.00 1.00 C ATOM 1620 CE1 PHE A 105 3.046 4.703 -14.047 1.00 1.00 C ATOM 1621 CE2 PHE A 105 5.119 4.948 -12.905 1.00 1.00 C ATOM 1622 CZ PHE A 105 4.405 4.503 -13.994 1.00 1.00 C ATOM 0 H PHE A 105 0.082 7.843 -10.615 1.00 1.00 H new ATOM 0 HA PHE A 105 2.923 8.652 -10.852 1.00 1.00 H new ATOM 0 HB2 PHE A 105 3.008 6.575 -9.978 1.00 1.00 H new ATOM 0 HB3 PHE A 105 1.474 6.078 -10.664 1.00 1.00 H new ATOM 0 HD1 PHE A 105 1.342 5.480 -13.045 1.00 1.00 H new ATOM 0 HD2 PHE A 105 5.032 5.921 -11.015 1.00 1.00 H new ATOM 0 HE1 PHE A 105 2.478 4.350 -14.895 1.00 1.00 H new ATOM 0 HE2 PHE A 105 6.185 4.785 -12.854 1.00 1.00 H new ATOM 0 HZ PHE A 105 4.911 3.998 -14.804 1.00 1.00 H new ATOM 1632 N ARG A 106 0.689 8.244 -13.188 1.00 1.00 N ATOM 1633 CA ARG A 106 0.480 8.273 -14.602 1.00 1.00 C ATOM 1634 C ARG A 106 -0.369 9.463 -15.024 1.00 1.00 C ATOM 1635 O ARG A 106 -1.474 9.675 -14.459 1.00 1.00 O ATOM 1636 CB ARG A 106 -0.196 6.954 -15.017 1.00 1.00 C ATOM 1637 CG ARG A 106 -0.526 6.891 -16.510 1.00 1.00 C ATOM 1638 CD ARG A 106 -0.883 5.507 -17.053 1.00 1.00 C ATOM 1639 NE ARG A 106 -2.292 5.198 -16.679 1.00 1.00 N ATOM 1640 CZ ARG A 106 -3.033 4.298 -17.390 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -2.458 3.428 -18.270 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -4.383 4.214 -17.206 1.00 1.00 N ATOM 1643 OXT ARG A 106 0.042 10.214 -15.949 1.00 1.00 O ATOM 0 H ARG A 106 -0.162 8.052 -12.659 1.00 1.00 H new ATOM 0 HA ARG A 106 1.443 8.381 -15.102 1.00 1.00 H new ATOM 0 HB2 ARG A 106 0.459 6.121 -14.760 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -1.114 6.827 -14.443 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -1.360 7.565 -16.708 1.00 1.00 H new ATOM 0 HG3 ARG A 106 0.330 7.270 -17.069 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -0.766 5.484 -18.136 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -0.209 4.755 -16.643 1.00 1.00 H new ATOM 0 HE ARG A 106 -2.711 5.668 -15.876 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -1.448 3.438 -18.411 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -3.038 2.767 -18.787 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -4.845 4.826 -16.534 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -4.930 3.539 -17.741 1.00 1.00 H new