USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 748 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 72 ASN : amide:sc= 0.33 K(o=0.68,f=-8.4!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -157:sc= 0.353 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.415 USER MOD Single : A 8 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-1.5) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0438) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-1.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.57) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 62 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-5.5!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0.21 USER MOD Single : A 64 GLN : amide:sc= 1.1 K(o=1.1,f=-0.51) USER MOD Single : A 70 SER OG : rot 15:sc= 0.43 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.862 -7.689 -4.807 1.00 0.00 N ATOM 12 CA LEU A 2 9.973 -7.133 -5.803 1.00 0.00 C ATOM 13 C LEU A 2 9.250 -8.216 -6.596 1.00 0.00 C ATOM 14 O LEU A 2 9.707 -8.689 -7.643 1.00 0.00 O ATOM 15 CB LEU A 2 10.708 -6.105 -6.650 1.00 0.00 C ATOM 16 CG LEU A 2 10.417 -4.679 -6.175 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.348 -3.725 -6.912 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.961 -4.260 -6.428 1.00 0.00 C ATOM 0 HA LEU A 2 9.169 -6.593 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.781 -6.294 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.410 -6.211 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 2 10.582 -4.643 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.154 -2.703 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.384 -3.986 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.173 -3.802 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.809 -3.241 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.749 -4.307 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.291 -4.934 -5.895 1.00 0.00 H new ATOM 30 N THR A 3 8.090 -8.574 -6.063 1.00 0.00 N ATOM 31 CA THR A 3 7.180 -9.571 -6.593 1.00 0.00 C ATOM 32 C THR A 3 5.789 -8.919 -6.708 1.00 0.00 C ATOM 33 O THR A 3 5.544 -7.854 -6.135 1.00 0.00 O ATOM 34 CB THR A 3 7.298 -10.825 -5.701 1.00 0.00 C ATOM 35 OG1 THR A 3 8.665 -11.154 -5.532 1.00 0.00 O ATOM 36 CG2 THR A 3 6.625 -12.055 -6.298 1.00 0.00 C ATOM 0 H THR A 3 7.743 -8.151 -5.202 1.00 0.00 H new ATOM 0 HA THR A 3 7.411 -9.917 -7.601 1.00 0.00 H new ATOM 0 HB THR A 3 6.804 -10.574 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.742 -11.949 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.745 -12.900 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.563 -11.855 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.084 -12.291 -7.258 1.00 0.00 H new ATOM 44 N THR A 4 4.880 -9.515 -7.468 1.00 0.00 N ATOM 45 CA THR A 4 3.521 -9.035 -7.710 1.00 0.00 C ATOM 46 C THR A 4 2.539 -10.072 -7.164 1.00 0.00 C ATOM 47 O THR A 4 2.824 -11.269 -7.261 1.00 0.00 O ATOM 48 CB THR A 4 3.352 -8.800 -9.229 1.00 0.00 C ATOM 49 OG1 THR A 4 4.151 -9.706 -9.982 1.00 0.00 O ATOM 50 CG2 THR A 4 3.794 -7.386 -9.614 1.00 0.00 C ATOM 0 H THR A 4 5.077 -10.388 -7.957 1.00 0.00 H new ATOM 0 HA THR A 4 3.324 -8.091 -7.202 1.00 0.00 H new ATOM 0 HB THR A 4 2.295 -8.949 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.024 -9.537 -10.939 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.666 -7.244 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.188 -6.656 -9.077 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.843 -7.249 -9.353 1.00 0.00 H new ATOM 58 N ILE A 5 1.415 -9.635 -6.584 1.00 0.00 N ATOM 59 CA ILE A 5 0.405 -10.533 -6.019 1.00 0.00 C ATOM 60 C ILE A 5 -1.009 -10.123 -6.447 1.00 0.00 C ATOM 61 O ILE A 5 -1.230 -8.978 -6.851 1.00 0.00 O ATOM 62 CB ILE A 5 0.556 -10.686 -4.482 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.022 -9.519 -3.621 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.993 -11.052 -4.070 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.615 -8.140 -3.926 1.00 0.00 C ATOM 0 H ILE A 5 1.181 -8.646 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 5 0.577 -11.527 -6.433 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.109 -11.520 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.059 -9.465 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.210 -9.750 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.047 -11.148 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.274 -11.998 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.677 -10.270 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.169 -7.398 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.693 -8.165 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.405 -7.875 -4.962 1.00 0.00 H new ATOM 77 N SER A 6 -1.959 -11.055 -6.355 1.00 0.00 N ATOM 78 CA SER A 6 -3.358 -10.859 -6.716 1.00 0.00 C ATOM 79 C SER A 6 -4.019 -9.798 -5.816 1.00 0.00 C ATOM 80 O SER A 6 -3.503 -9.495 -4.732 1.00 0.00 O ATOM 81 CB SER A 6 -4.067 -12.225 -6.619 1.00 0.00 C ATOM 82 OG SER A 6 -4.339 -12.599 -5.278 1.00 0.00 O ATOM 0 H SER A 6 -1.766 -11.997 -6.015 1.00 0.00 H new ATOM 0 HA SER A 6 -3.438 -10.481 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.001 -12.187 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.445 -12.988 -7.087 1.00 0.00 H new ATOM 0 HG SER A 6 -4.790 -13.469 -5.266 1.00 0.00 H new ATOM 88 N PRO A 7 -5.208 -9.274 -6.173 1.00 0.00 N ATOM 89 CA PRO A 7 -5.888 -8.281 -5.354 1.00 0.00 C ATOM 90 C PRO A 7 -6.412 -8.846 -4.027 1.00 0.00 C ATOM 91 O PRO A 7 -6.966 -8.072 -3.244 1.00 0.00 O ATOM 92 CB PRO A 7 -7.002 -7.700 -6.234 1.00 0.00 C ATOM 93 CG PRO A 7 -7.328 -8.847 -7.184 1.00 0.00 C ATOM 94 CD PRO A 7 -5.965 -9.501 -7.397 1.00 0.00 C ATOM 0 HA PRO A 7 -5.192 -7.503 -5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.870 -7.407 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.669 -6.813 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.047 -9.541 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.756 -8.489 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.072 -10.567 -7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.455 -9.066 -8.256 1.00 0.00 H new ATOM 102 N HIS A 8 -6.235 -10.143 -3.756 1.00 0.00 N ATOM 103 CA HIS A 8 -6.690 -10.795 -2.540 1.00 0.00 C ATOM 104 C HIS A 8 -5.525 -11.324 -1.704 1.00 0.00 C ATOM 105 O HIS A 8 -5.553 -11.199 -0.480 1.00 0.00 O ATOM 106 CB HIS A 8 -7.665 -11.915 -2.923 1.00 0.00 C ATOM 107 CG HIS A 8 -8.780 -12.065 -1.929 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.699 -11.088 -1.626 1.00 0.00 N ATOM 109 CD2 HIS A 8 -9.149 -13.208 -1.277 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.618 -11.632 -0.819 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.306 -12.913 -0.544 1.00 0.00 N ATOM 0 H HIS A 8 -5.759 -10.778 -4.397 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.201 -10.065 -1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.084 -11.708 -3.907 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.121 -12.856 -3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.643 -14.161 -1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.488 -11.116 -0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.813 -13.545 0.076 1.00 0.00 H new ATOM 119 N ASP A 9 -4.480 -11.851 -2.354 1.00 0.00 N ATOM 120 CA ASP A 9 -3.299 -12.409 -1.693 1.00 0.00 C ATOM 121 C ASP A 9 -2.655 -11.401 -0.757 1.00 0.00 C ATOM 122 O ASP A 9 -2.237 -11.768 0.339 1.00 0.00 O ATOM 123 CB ASP A 9 -2.246 -12.857 -2.720 1.00 0.00 C ATOM 124 CG ASP A 9 -2.439 -14.284 -3.228 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.558 -14.778 -3.965 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.460 -14.932 -2.911 1.00 0.00 O ATOM 0 H ASP A 9 -4.433 -11.901 -3.372 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.644 -13.269 -1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.269 -12.174 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.257 -12.773 -2.270 1.00 0.00 H new ATOM 131 N ALA A 10 -2.599 -10.133 -1.177 1.00 0.00 N ATOM 132 CA ALA A 10 -2.011 -9.058 -0.395 1.00 0.00 C ATOM 133 C ALA A 10 -2.548 -9.063 1.039 1.00 0.00 C ATOM 134 O ALA A 10 -1.764 -9.024 1.988 1.00 0.00 O ATOM 135 CB ALA A 10 -2.293 -7.718 -1.081 1.00 0.00 C ATOM 0 H ALA A 10 -2.966 -9.829 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.933 -9.210 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.853 -6.910 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.857 -7.722 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.370 -7.567 -1.156 1.00 0.00 H new ATOM 141 N GLN A 11 -3.876 -9.098 1.191 1.00 0.00 N ATOM 142 CA GLN A 11 -4.563 -9.097 2.464 1.00 0.00 C ATOM 143 C GLN A 11 -4.129 -10.247 3.346 1.00 0.00 C ATOM 144 O GLN A 11 -3.777 -10.031 4.502 1.00 0.00 O ATOM 145 CB GLN A 11 -6.057 -9.159 2.202 1.00 0.00 C ATOM 146 CG GLN A 11 -6.831 -8.734 3.453 1.00 0.00 C ATOM 147 CD GLN A 11 -7.487 -9.903 4.192 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.998 -11.031 4.235 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.645 -9.681 4.774 1.00 0.00 N ATOM 0 H GLN A 11 -4.514 -9.129 0.396 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.309 -8.182 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.315 -8.507 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.342 -10.171 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.152 -8.220 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.601 -8.017 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.060 -8.750 4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.128 -10.440 5.255 1.00 0.00 H new ATOM 158 N GLU A 12 -4.158 -11.452 2.794 1.00 0.00 N ATOM 159 CA GLU A 12 -3.764 -12.651 3.503 1.00 0.00 C ATOM 160 C GLU A 12 -2.332 -12.512 4.003 1.00 0.00 C ATOM 161 O GLU A 12 -2.045 -12.961 5.108 1.00 0.00 O ATOM 162 CB GLU A 12 -3.917 -13.868 2.584 1.00 0.00 C ATOM 163 CG GLU A 12 -4.071 -15.133 3.432 1.00 0.00 C ATOM 164 CD GLU A 12 -3.907 -16.409 2.621 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.790 -16.971 2.633 1.00 0.00 O ATOM 166 OE2 GLU A 12 -4.882 -16.897 2.013 1.00 0.00 O ATOM 0 H GLU A 12 -4.459 -11.621 1.834 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.410 -12.794 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.786 -13.742 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.047 -13.957 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.332 -15.120 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.054 -15.131 3.904 1.00 0.00 H new ATOM 173 N LEU A 13 -1.435 -11.886 3.235 1.00 0.00 N ATOM 174 CA LEU A 13 -0.053 -11.742 3.655 1.00 0.00 C ATOM 175 C LEU A 13 0.003 -10.800 4.842 1.00 0.00 C ATOM 176 O LEU A 13 0.692 -11.104 5.815 1.00 0.00 O ATOM 177 CB LEU A 13 0.841 -11.330 2.476 1.00 0.00 C ATOM 178 CG LEU A 13 0.916 -12.443 1.404 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.671 -11.939 0.178 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.569 -13.726 1.928 1.00 0.00 C ATOM 0 H LEU A 13 -1.647 -11.476 2.326 1.00 0.00 H new ATOM 0 HA LEU A 13 0.350 -12.699 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.453 -10.416 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.844 -11.106 2.840 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.110 -12.693 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.718 -12.730 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.153 -11.075 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.682 -11.651 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.595 -14.472 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.586 -13.509 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.992 -14.111 2.769 1.00 0.00 H new ATOM 192 N ILE A 14 -0.733 -9.688 4.797 1.00 0.00 N ATOM 193 CA ILE A 14 -0.800 -8.700 5.871 1.00 0.00 C ATOM 194 C ILE A 14 -1.353 -9.379 7.127 1.00 0.00 C ATOM 195 O ILE A 14 -0.768 -9.258 8.204 1.00 0.00 O ATOM 196 CB ILE A 14 -1.631 -7.482 5.410 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.947 -6.739 4.245 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.835 -6.451 6.519 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.975 -6.157 3.275 1.00 0.00 C ATOM 0 H ILE A 14 -1.312 -9.445 3.993 1.00 0.00 H new ATOM 0 HA ILE A 14 0.190 -8.316 6.118 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.591 -7.899 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.322 -5.938 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.288 -7.424 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.425 -5.618 6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.359 -6.914 7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.866 -6.084 6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.460 -5.640 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.582 -6.962 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.617 -5.453 3.804 1.00 0.00 H new ATOM 211 N ALA A 15 -2.445 -10.137 6.984 1.00 0.00 N ATOM 212 CA ALA A 15 -3.082 -10.845 8.083 1.00 0.00 C ATOM 213 C ALA A 15 -2.089 -11.799 8.748 1.00 0.00 C ATOM 214 O ALA A 15 -2.002 -11.851 9.978 1.00 0.00 O ATOM 215 CB ALA A 15 -4.320 -11.587 7.570 1.00 0.00 C ATOM 0 H ALA A 15 -2.912 -10.273 6.088 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.404 -10.129 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.795 -12.117 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.024 -10.871 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.024 -12.302 6.803 1.00 0.00 H new ATOM 221 N ARG A 16 -1.315 -12.539 7.951 1.00 0.00 N ATOM 222 CA ARG A 16 -0.320 -13.484 8.448 1.00 0.00 C ATOM 223 C ARG A 16 0.829 -12.753 9.142 1.00 0.00 C ATOM 224 O ARG A 16 1.295 -13.218 10.181 1.00 0.00 O ATOM 225 CB ARG A 16 0.223 -14.302 7.278 1.00 0.00 C ATOM 226 CG ARG A 16 -0.773 -15.276 6.630 1.00 0.00 C ATOM 227 CD ARG A 16 -0.170 -15.694 5.286 1.00 0.00 C ATOM 228 NE ARG A 16 -0.882 -16.801 4.641 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.439 -18.052 4.498 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.615 -18.497 5.172 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.090 -18.836 3.653 1.00 0.00 N ATOM 0 H ARG A 16 -1.364 -12.497 6.933 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.795 -14.142 9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.581 -13.614 6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.086 -14.870 7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.935 -16.145 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.743 -14.800 6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.168 -14.835 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.870 -15.982 5.438 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.807 -16.595 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.106 -17.878 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.933 -19.458 5.045 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.896 -18.477 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.785 -19.799 3.513 1.00 0.00 H new ATOM 245 N GLY A 17 1.287 -11.614 8.608 1.00 0.00 N ATOM 246 CA GLY A 17 2.379 -10.858 9.213 1.00 0.00 C ATOM 247 C GLY A 17 2.995 -9.741 8.364 1.00 0.00 C ATOM 248 O GLY A 17 3.940 -9.106 8.839 1.00 0.00 O ATOM 0 H GLY A 17 0.913 -11.198 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.015 -10.418 10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.170 -11.558 9.480 1.00 0.00 H new ATOM 252 N ALA A 18 2.552 -9.508 7.127 1.00 0.00 N ATOM 253 CA ALA A 18 3.077 -8.452 6.258 1.00 0.00 C ATOM 254 C ALA A 18 2.482 -7.083 6.644 1.00 0.00 C ATOM 255 O ALA A 18 1.707 -6.980 7.595 1.00 0.00 O ATOM 256 CB ALA A 18 2.800 -8.794 4.784 1.00 0.00 C ATOM 0 H ALA A 18 1.808 -10.055 6.694 1.00 0.00 H new ATOM 0 HA ALA A 18 4.157 -8.387 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.194 -8.003 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.284 -9.738 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.725 -8.884 4.627 1.00 0.00 H new ATOM 262 N LYS A 19 2.829 -6.017 5.914 1.00 0.00 N ATOM 263 CA LYS A 19 2.321 -4.662 6.136 1.00 0.00 C ATOM 264 C LYS A 19 1.881 -4.034 4.822 1.00 0.00 C ATOM 265 O LYS A 19 2.334 -4.456 3.760 1.00 0.00 O ATOM 266 CB LYS A 19 3.386 -3.792 6.825 1.00 0.00 C ATOM 267 CG LYS A 19 2.847 -2.989 8.018 1.00 0.00 C ATOM 268 CD LYS A 19 2.219 -3.829 9.133 1.00 0.00 C ATOM 269 CE LYS A 19 1.740 -2.916 10.266 1.00 0.00 C ATOM 270 NZ LYS A 19 0.519 -2.168 9.894 1.00 0.00 N ATOM 0 H LYS A 19 3.486 -6.076 5.136 1.00 0.00 H new ATOM 0 HA LYS A 19 1.453 -4.723 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.200 -4.431 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.808 -3.102 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.663 -2.403 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.102 -2.281 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.381 -4.404 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.947 -4.545 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.542 -3.514 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.532 -2.213 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.170 -1.641 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.740 -1.502 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.213 -2.835 9.574 1.00 0.00 H new ATOM 284 N LEU A 20 1.074 -2.975 4.891 1.00 0.00 N ATOM 285 CA LEU A 20 0.568 -2.275 3.709 1.00 0.00 C ATOM 286 C LEU A 20 0.883 -0.795 3.796 1.00 0.00 C ATOM 287 O LEU A 20 0.451 -0.119 4.733 1.00 0.00 O ATOM 288 CB LEU A 20 -0.945 -2.483 3.586 1.00 0.00 C ATOM 289 CG LEU A 20 -1.570 -2.177 2.213 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.843 -2.811 1.024 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.033 -2.644 2.216 1.00 0.00 C ATOM 0 H LEU A 20 0.751 -2.576 5.773 1.00 0.00 H new ATOM 0 HA LEU A 20 1.057 -2.684 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.169 -3.519 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.437 -1.859 4.332 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.486 -1.099 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.354 -2.541 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.184 -2.448 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.841 -3.895 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.485 -2.431 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.072 -3.716 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.582 -2.116 2.996 1.00 0.00 H new ATOM 303 N ILE A 21 1.652 -0.279 2.843 1.00 0.00 N ATOM 304 CA ILE A 21 2.025 1.124 2.800 1.00 0.00 C ATOM 305 C ILE A 21 1.262 1.737 1.627 1.00 0.00 C ATOM 306 O ILE A 21 1.206 1.196 0.515 1.00 0.00 O ATOM 307 CB ILE A 21 3.564 1.279 2.783 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.185 1.218 4.200 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.976 2.631 2.182 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.850 -0.036 5.017 1.00 0.00 C ATOM 0 H ILE A 21 2.035 -0.830 2.075 1.00 0.00 H new ATOM 0 HA ILE A 21 1.740 1.678 3.694 1.00 0.00 H new ATOM 0 HB ILE A 21 3.930 0.447 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.269 1.290 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.855 2.093 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.063 2.713 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.607 2.702 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.551 3.439 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.335 0.024 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.771 -0.104 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.206 -0.920 4.489 1.00 0.00 H new ATOM 322 N ASP A 22 0.591 2.846 1.921 1.00 0.00 N ATOM 323 CA ASP A 22 -0.200 3.608 0.975 1.00 0.00 C ATOM 324 C ASP A 22 0.648 4.756 0.460 1.00 0.00 C ATOM 325 O ASP A 22 1.021 5.637 1.241 1.00 0.00 O ATOM 326 CB ASP A 22 -1.457 4.143 1.647 1.00 0.00 C ATOM 327 CG ASP A 22 -2.407 4.595 0.552 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.426 3.896 0.363 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.081 5.570 -0.157 1.00 0.00 O ATOM 0 H ASP A 22 0.586 3.249 2.858 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.506 2.969 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.921 3.371 2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.213 4.974 2.309 1.00 0.00 H new ATOM 334 N ILE A 23 0.947 4.739 -0.839 1.00 0.00 N ATOM 335 CA ILE A 23 1.775 5.750 -1.479 1.00 0.00 C ATOM 336 C ILE A 23 0.981 6.753 -2.341 1.00 0.00 C ATOM 337 O ILE A 23 1.609 7.392 -3.184 1.00 0.00 O ATOM 338 CB ILE A 23 2.965 5.066 -2.213 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.540 4.297 -3.488 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.769 4.129 -1.275 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.723 3.738 -4.291 1.00 0.00 C ATOM 0 H ILE A 23 0.617 4.016 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 23 2.195 6.387 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 23 3.610 5.886 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.883 3.475 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.960 4.962 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.589 3.674 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.171 4.706 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.113 3.347 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.350 3.212 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.369 4.558 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.291 3.047 -3.668 1.00 0.00 H new ATOM 353 N ARG A 24 -0.352 6.892 -2.216 1.00 0.00 N ATOM 354 CA ARG A 24 -1.145 7.827 -3.021 1.00 0.00 C ATOM 355 C ARG A 24 -0.786 9.289 -2.725 1.00 0.00 C ATOM 356 O ARG A 24 -0.007 9.882 -3.470 1.00 0.00 O ATOM 357 CB ARG A 24 -2.640 7.522 -2.819 1.00 0.00 C ATOM 358 CG ARG A 24 -3.024 6.166 -3.442 1.00 0.00 C ATOM 359 CD ARG A 24 -4.146 5.419 -2.714 1.00 0.00 C ATOM 360 NE ARG A 24 -5.289 6.284 -2.414 1.00 0.00 N ATOM 361 CZ ARG A 24 -6.357 5.952 -1.671 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.447 4.758 -1.097 1.00 0.00 N ATOM 363 NH2 ARG A 24 -7.353 6.817 -1.497 1.00 0.00 N ATOM 0 H ARG A 24 -0.907 6.355 -1.550 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.907 7.685 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.871 7.514 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.239 8.314 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.327 6.330 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.139 5.530 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.479 4.581 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.757 5.000 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.272 7.226 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.698 4.077 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.265 4.522 -0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.309 7.740 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.161 6.557 -0.931 1.00 0.00 H new ATOM 377 N ASP A 25 -1.370 9.924 -1.713 1.00 0.00 N ATOM 378 CA ASP A 25 -1.115 11.313 -1.322 1.00 0.00 C ATOM 379 C ASP A 25 -1.605 11.445 0.116 1.00 0.00 C ATOM 380 O ASP A 25 -2.530 10.737 0.506 1.00 0.00 O ATOM 381 CB ASP A 25 -1.922 12.313 -2.177 1.00 0.00 C ATOM 382 CG ASP A 25 -1.287 12.693 -3.517 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.169 13.264 -3.516 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.934 12.478 -4.575 1.00 0.00 O ATOM 0 H ASP A 25 -2.062 9.470 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.055 11.535 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.908 11.889 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.074 13.222 -1.595 1.00 0.00 H new ATOM 389 N ALA A 26 -1.062 12.383 0.898 1.00 0.00 N ATOM 390 CA ALA A 26 -1.499 12.566 2.284 1.00 0.00 C ATOM 391 C ALA A 26 -2.975 12.979 2.367 1.00 0.00 C ATOM 392 O ALA A 26 -3.632 12.731 3.378 1.00 0.00 O ATOM 393 CB ALA A 26 -0.619 13.620 2.959 1.00 0.00 C ATOM 0 H ALA A 26 -0.326 13.022 0.598 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.398 11.612 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.943 13.758 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.420 13.290 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.706 14.565 2.422 1.00 0.00 H new ATOM 399 N ASP A 27 -3.499 13.627 1.325 1.00 0.00 N ATOM 400 CA ASP A 27 -4.886 14.083 1.259 1.00 0.00 C ATOM 401 C ASP A 27 -5.865 12.918 1.118 1.00 0.00 C ATOM 402 O ASP A 27 -7.002 12.995 1.580 1.00 0.00 O ATOM 403 CB ASP A 27 -5.044 15.085 0.105 1.00 0.00 C ATOM 404 CG ASP A 27 -5.636 14.552 -1.208 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.881 14.009 -2.049 1.00 0.00 O ATOM 406 OD2 ASP A 27 -6.833 14.834 -1.458 1.00 0.00 O ATOM 0 H ASP A 27 -2.960 13.853 0.489 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.128 14.580 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.674 15.904 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.063 15.507 -0.113 1.00 0.00 H new ATOM 411 N GLU A 28 -5.424 11.826 0.504 1.00 0.00 N ATOM 412 CA GLU A 28 -6.234 10.635 0.287 1.00 0.00 C ATOM 413 C GLU A 28 -6.551 9.939 1.609 1.00 0.00 C ATOM 414 O GLU A 28 -7.670 9.460 1.796 1.00 0.00 O ATOM 415 CB GLU A 28 -5.470 9.686 -0.639 1.00 0.00 C ATOM 416 CG GLU A 28 -5.368 10.235 -2.066 1.00 0.00 C ATOM 417 CD GLU A 28 -6.355 9.550 -3.004 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.567 9.852 -2.992 1.00 0.00 O ATOM 419 OE2 GLU A 28 -5.925 8.646 -3.757 1.00 0.00 O ATOM 0 H GLU A 28 -4.476 11.743 0.137 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.181 10.923 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.469 9.520 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.970 8.718 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.558 11.308 -2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.353 10.094 -2.439 1.00 0.00 H new ATOM 426 N TYR A 29 -5.582 9.918 2.530 1.00 0.00 N ATOM 427 CA TYR A 29 -5.698 9.310 3.852 1.00 0.00 C ATOM 428 C TYR A 29 -6.844 9.939 4.664 1.00 0.00 C ATOM 429 O TYR A 29 -7.419 9.281 5.539 1.00 0.00 O ATOM 430 CB TYR A 29 -4.325 9.427 4.540 1.00 0.00 C ATOM 431 CG TYR A 29 -4.264 9.034 6.003 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.117 10.003 7.018 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.269 7.673 6.341 1.00 0.00 C ATOM 434 CE1 TYR A 29 -3.982 9.600 8.361 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.117 7.263 7.670 1.00 0.00 C ATOM 436 CZ TYR A 29 -3.985 8.224 8.689 1.00 0.00 C ATOM 437 OH TYR A 29 -3.861 7.810 9.976 1.00 0.00 O ATOM 0 H TYR A 29 -4.667 10.338 2.367 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.963 8.256 3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.615 8.809 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.985 10.459 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.108 11.053 6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.392 6.932 5.565 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.876 10.341 9.140 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.101 6.211 7.913 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.885 6.831 10.008 1.00 0.00 H new ATOM 447 N LEU A 30 -7.186 11.205 4.402 1.00 0.00 N ATOM 448 CA LEU A 30 -8.264 11.923 5.084 1.00 0.00 C ATOM 449 C LEU A 30 -9.633 11.620 4.478 1.00 0.00 C ATOM 450 O LEU A 30 -10.651 11.778 5.151 1.00 0.00 O ATOM 451 CB LEU A 30 -8.000 13.439 5.018 1.00 0.00 C ATOM 452 CG LEU A 30 -7.307 13.951 6.291 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.709 15.332 6.030 1.00 0.00 C ATOM 454 CD2 LEU A 30 -8.305 14.045 7.454 1.00 0.00 C ATOM 0 H LEU A 30 -6.711 11.768 3.696 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.277 11.585 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.379 13.663 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.943 13.967 4.880 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.518 13.248 6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.218 15.693 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.979 15.266 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.502 16.024 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.793 14.409 8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.108 14.733 7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.724 13.059 7.654 1.00 0.00 H new ATOM 466 N ARG A 31 -9.683 11.210 3.210 1.00 0.00 N ATOM 467 CA ARG A 31 -10.932 10.905 2.530 1.00 0.00 C ATOM 468 C ARG A 31 -11.316 9.471 2.825 1.00 0.00 C ATOM 469 O ARG A 31 -12.276 9.244 3.567 1.00 0.00 O ATOM 470 CB ARG A 31 -10.817 11.227 1.039 1.00 0.00 C ATOM 471 CG ARG A 31 -10.658 12.743 0.897 1.00 0.00 C ATOM 472 CD ARG A 31 -10.780 13.178 -0.556 1.00 0.00 C ATOM 473 NE ARG A 31 -11.021 14.624 -0.654 1.00 0.00 N ATOM 474 CZ ARG A 31 -11.735 15.230 -1.603 1.00 0.00 C ATOM 475 NH1 ARG A 31 -12.058 14.609 -2.729 1.00 0.00 N ATOM 476 NH2 ARG A 31 -12.150 16.470 -1.428 1.00 0.00 N ATOM 0 H ARG A 31 -8.855 11.081 2.629 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.742 11.533 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.962 10.711 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.703 10.884 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.417 13.248 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.688 13.047 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.868 12.920 -1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.596 12.636 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.606 15.215 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.759 13.646 -2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.605 15.094 -3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.925 16.966 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.696 16.932 -2.155 1.00 0.00 H new ATOM 490 N GLU A 32 -10.618 8.523 2.206 1.00 0.00 N ATOM 491 CA GLU A 32 -10.843 7.103 2.383 1.00 0.00 C ATOM 492 C GLU A 32 -9.629 6.315 1.886 1.00 0.00 C ATOM 493 O GLU A 32 -9.137 6.533 0.771 1.00 0.00 O ATOM 494 CB GLU A 32 -12.112 6.622 1.660 1.00 0.00 C ATOM 495 CG GLU A 32 -12.316 7.028 0.188 1.00 0.00 C ATOM 496 CD GLU A 32 -13.264 8.214 -0.031 1.00 0.00 C ATOM 497 OE1 GLU A 32 -12.897 9.097 -0.839 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.428 8.199 0.448 1.00 0.00 O ATOM 0 H GLU A 32 -9.863 8.733 1.553 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.986 6.926 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.130 5.533 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.972 6.981 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.346 7.273 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.701 6.168 -0.361 1.00 0.00 H new ATOM 505 N HIS A 33 -9.162 5.374 2.701 1.00 0.00 N ATOM 506 CA HIS A 33 -8.040 4.488 2.422 1.00 0.00 C ATOM 507 C HIS A 33 -8.347 3.121 3.070 1.00 0.00 C ATOM 508 O HIS A 33 -9.478 2.888 3.508 1.00 0.00 O ATOM 509 CB HIS A 33 -6.711 5.154 2.822 1.00 0.00 C ATOM 510 CG HIS A 33 -6.352 5.008 4.274 1.00 0.00 C ATOM 511 ND1 HIS A 33 -5.472 4.085 4.787 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.894 5.700 5.321 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.508 4.196 6.123 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.365 5.163 6.499 1.00 0.00 N ATOM 0 H HIS A 33 -9.576 5.202 3.617 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.911 4.298 1.357 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.910 4.728 2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.764 6.215 2.579 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.602 6.513 5.251 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.928 3.591 6.805 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.585 5.448 7.453 1.00 0.00 H new ATOM 522 N ILE A 34 -7.403 2.182 3.101 1.00 0.00 N ATOM 523 CA ILE A 34 -7.599 0.849 3.674 1.00 0.00 C ATOM 524 C ILE A 34 -7.142 0.819 5.139 1.00 0.00 C ATOM 525 O ILE A 34 -6.077 1.347 5.446 1.00 0.00 O ATOM 526 CB ILE A 34 -6.850 -0.172 2.800 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.555 -0.248 1.431 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.783 -1.573 3.424 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.573 -0.659 0.348 1.00 0.00 C ATOM 0 H ILE A 34 -6.466 2.327 2.724 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.657 0.587 3.680 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.820 0.169 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.375 -0.965 1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.991 0.720 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.242 -2.243 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.266 -1.520 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.794 -1.952 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.088 -0.707 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.767 0.073 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.157 -1.638 0.586 1.00 0.00 H new ATOM 541 N PRO A 35 -7.893 0.167 6.046 1.00 0.00 N ATOM 542 CA PRO A 35 -7.549 0.089 7.467 1.00 0.00 C ATOM 543 C PRO A 35 -6.282 -0.737 7.694 1.00 0.00 C ATOM 544 O PRO A 35 -5.499 -0.468 8.599 1.00 0.00 O ATOM 545 CB PRO A 35 -8.761 -0.551 8.148 1.00 0.00 C ATOM 546 CG PRO A 35 -9.465 -1.319 7.031 1.00 0.00 C ATOM 547 CD PRO A 35 -9.151 -0.507 5.788 1.00 0.00 C ATOM 0 HA PRO A 35 -7.333 1.075 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.457 -1.216 8.956 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.415 0.203 8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.091 -2.339 6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.539 -1.386 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.074 -1.152 4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.943 0.214 5.585 1.00 0.00 H new ATOM 555 N GLU A 36 -6.068 -1.732 6.837 1.00 0.00 N ATOM 556 CA GLU A 36 -4.911 -2.615 6.873 1.00 0.00 C ATOM 557 C GLU A 36 -3.639 -1.859 6.437 1.00 0.00 C ATOM 558 O GLU A 36 -2.572 -2.466 6.373 1.00 0.00 O ATOM 559 CB GLU A 36 -5.106 -3.862 5.990 1.00 0.00 C ATOM 560 CG GLU A 36 -6.416 -4.608 6.264 1.00 0.00 C ATOM 561 CD GLU A 36 -6.389 -5.543 7.472 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.943 -6.660 7.355 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.911 -5.123 8.553 1.00 0.00 O ATOM 0 H GLU A 36 -6.714 -1.950 6.078 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.798 -2.951 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.080 -3.563 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.270 -4.543 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.210 -3.875 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.677 -5.190 5.380 1.00 0.00 H new ATOM 570 N ALA A 37 -3.729 -0.574 6.059 1.00 0.00 N ATOM 571 CA ALA A 37 -2.606 0.244 5.632 1.00 0.00 C ATOM 572 C ALA A 37 -2.440 1.447 6.544 1.00 0.00 C ATOM 573 O ALA A 37 -3.359 1.820 7.276 1.00 0.00 O ATOM 574 CB ALA A 37 -2.790 0.705 4.178 1.00 0.00 C ATOM 0 H ALA A 37 -4.616 -0.070 6.045 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.704 -0.366 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.938 1.316 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.858 -0.166 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.704 1.293 4.096 1.00 0.00 H new ATOM 580 N ASP A 38 -1.260 2.068 6.483 1.00 0.00 N ATOM 581 CA ASP A 38 -0.978 3.242 7.303 1.00 0.00 C ATOM 582 C ASP A 38 -1.066 4.482 6.413 1.00 0.00 C ATOM 583 O ASP A 38 -2.169 4.918 6.084 1.00 0.00 O ATOM 584 CB ASP A 38 0.323 3.058 8.101 1.00 0.00 C ATOM 585 CG ASP A 38 0.416 4.040 9.276 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.076 3.702 10.381 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.056 5.107 9.145 1.00 0.00 O ATOM 0 H ASP A 38 -0.491 1.778 5.878 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.724 3.383 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.377 2.036 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.178 3.201 7.440 1.00 0.00 H new ATOM 592 N LEU A 39 0.074 5.007 5.970 1.00 0.00 N ATOM 593 CA LEU A 39 0.235 6.196 5.121 1.00 0.00 C ATOM 594 C LEU A 39 1.728 6.475 4.978 1.00 0.00 C ATOM 595 O LEU A 39 2.441 6.473 5.983 1.00 0.00 O ATOM 596 CB LEU A 39 -0.429 7.432 5.781 1.00 0.00 C ATOM 597 CG LEU A 39 -0.026 8.813 5.214 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.399 8.985 3.744 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.702 9.945 5.993 1.00 0.00 C ATOM 0 H LEU A 39 0.973 4.588 6.208 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.234 6.014 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.510 7.328 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.195 7.418 6.845 1.00 0.00 H new ATOM 0 HG LEU A 39 1.058 8.860 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.091 9.974 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.105 8.223 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.478 8.881 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.401 10.905 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.785 9.840 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.402 9.896 7.040 1.00 0.00 H new ATOM 611 N ALA A 40 2.206 6.688 3.755 1.00 0.00 N ATOM 612 CA ALA A 40 3.600 7.010 3.448 1.00 0.00 C ATOM 613 C ALA A 40 3.654 7.524 1.998 1.00 0.00 C ATOM 614 O ALA A 40 3.906 6.736 1.087 1.00 0.00 O ATOM 615 CB ALA A 40 4.557 5.827 3.709 1.00 0.00 C ATOM 0 H ALA A 40 1.617 6.640 2.923 1.00 0.00 H new ATOM 0 HA ALA A 40 3.956 7.790 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.577 6.123 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.505 5.542 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.266 4.980 3.088 1.00 0.00 H new ATOM 621 N PRO A 41 3.382 8.815 1.743 1.00 0.00 N ATOM 622 CA PRO A 41 3.403 9.340 0.386 1.00 0.00 C ATOM 623 C PRO A 41 4.827 9.301 -0.165 1.00 0.00 C ATOM 624 O PRO A 41 5.805 9.462 0.574 1.00 0.00 O ATOM 625 CB PRO A 41 2.825 10.755 0.473 1.00 0.00 C ATOM 626 CG PRO A 41 3.090 11.170 1.919 1.00 0.00 C ATOM 627 CD PRO A 41 3.077 9.860 2.705 1.00 0.00 C ATOM 0 HA PRO A 41 2.807 8.747 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.311 11.429 -0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.760 10.767 0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.048 11.681 2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.325 11.857 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.814 9.879 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.105 9.692 3.169 1.00 0.00 H new ATOM 635 N LEU A 42 4.946 9.157 -1.486 1.00 0.00 N ATOM 636 CA LEU A 42 6.228 9.093 -2.177 1.00 0.00 C ATOM 637 C LEU A 42 7.058 10.337 -1.881 1.00 0.00 C ATOM 638 O LEU A 42 8.272 10.245 -1.777 1.00 0.00 O ATOM 639 CB LEU A 42 6.050 8.939 -3.700 1.00 0.00 C ATOM 640 CG LEU A 42 6.994 7.951 -4.432 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.322 7.607 -3.743 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.258 6.638 -4.703 1.00 0.00 C ATOM 0 H LEU A 42 4.143 9.081 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 42 6.751 8.211 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.023 8.627 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.173 9.922 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 42 7.268 8.493 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.883 6.907 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.906 8.517 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.121 7.152 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.925 5.946 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.938 6.198 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.385 6.832 -5.327 1.00 0.00 H new ATOM 654 N SER A 43 6.414 11.494 -1.709 1.00 0.00 N ATOM 655 CA SER A 43 7.118 12.731 -1.418 1.00 0.00 C ATOM 656 C SER A 43 7.937 12.618 -0.122 1.00 0.00 C ATOM 657 O SER A 43 8.981 13.263 -0.011 1.00 0.00 O ATOM 658 CB SER A 43 6.115 13.888 -1.367 1.00 0.00 C ATOM 659 OG SER A 43 6.781 15.096 -1.651 1.00 0.00 O ATOM 0 H SER A 43 5.401 11.593 -1.768 1.00 0.00 H new ATOM 0 HA SER A 43 7.833 12.931 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.315 13.723 -2.088 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.651 13.938 -0.382 1.00 0.00 H new ATOM 0 HG SER A 43 6.141 15.837 -1.620 1.00 0.00 H new ATOM 665 N VAL A 44 7.470 11.842 0.864 1.00 0.00 N ATOM 666 CA VAL A 44 8.181 11.648 2.128 1.00 0.00 C ATOM 667 C VAL A 44 9.241 10.567 1.921 1.00 0.00 C ATOM 668 O VAL A 44 10.361 10.709 2.408 1.00 0.00 O ATOM 669 CB VAL A 44 7.194 11.285 3.259 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.902 10.914 4.572 1.00 0.00 C ATOM 671 CG2 VAL A 44 6.281 12.481 3.556 1.00 0.00 C ATOM 0 H VAL A 44 6.588 11.332 0.805 1.00 0.00 H new ATOM 0 HA VAL A 44 8.673 12.572 2.433 1.00 0.00 H new ATOM 0 HB VAL A 44 6.631 10.421 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.158 10.669 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.549 10.052 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.502 11.758 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.587 12.219 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.886 13.333 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.720 12.742 2.659 1.00 0.00 H new ATOM 681 N LEU A 45 8.912 9.509 1.180 1.00 0.00 N ATOM 682 CA LEU A 45 9.823 8.406 0.905 1.00 0.00 C ATOM 683 C LEU A 45 11.049 8.887 0.148 1.00 0.00 C ATOM 684 O LEU A 45 12.163 8.535 0.517 1.00 0.00 O ATOM 685 CB LEU A 45 9.103 7.316 0.104 1.00 0.00 C ATOM 686 CG LEU A 45 8.432 6.235 0.969 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.509 5.258 1.444 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.646 6.748 2.179 1.00 0.00 C ATOM 0 H LEU A 45 7.994 9.396 0.750 1.00 0.00 H new ATOM 0 HA LEU A 45 10.153 7.991 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.345 7.784 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.820 6.838 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 45 7.687 5.761 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.052 4.483 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.990 4.798 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.254 5.795 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.215 5.904 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.315 7.298 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.847 7.408 1.841 1.00 0.00 H new ATOM 700 N GLU A 46 10.863 9.689 -0.896 1.00 0.00 N ATOM 701 CA GLU A 46 11.963 10.218 -1.689 1.00 0.00 C ATOM 702 C GLU A 46 12.877 11.115 -0.844 1.00 0.00 C ATOM 703 O GLU A 46 14.068 11.217 -1.126 1.00 0.00 O ATOM 704 CB GLU A 46 11.428 11.025 -2.873 1.00 0.00 C ATOM 705 CG GLU A 46 10.863 10.125 -3.985 1.00 0.00 C ATOM 706 CD GLU A 46 11.506 10.361 -5.351 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.218 9.459 -5.841 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.281 11.438 -5.959 1.00 0.00 O ATOM 0 H GLU A 46 9.942 9.990 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 46 12.541 9.369 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.648 11.702 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.228 11.643 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.003 9.082 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.789 10.292 -4.065 1.00 0.00 H new ATOM 715 N GLN A 47 12.310 11.777 0.168 1.00 0.00 N ATOM 716 CA GLN A 47 13.014 12.674 1.070 1.00 0.00 C ATOM 717 C GLN A 47 13.556 11.926 2.299 1.00 0.00 C ATOM 718 O GLN A 47 14.726 11.536 2.308 1.00 0.00 O ATOM 719 CB GLN A 47 12.110 13.866 1.446 1.00 0.00 C ATOM 720 CG GLN A 47 11.911 14.832 0.269 1.00 0.00 C ATOM 721 CD GLN A 47 11.031 16.026 0.640 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.501 17.018 1.193 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.739 15.962 0.357 1.00 0.00 N ATOM 0 H GLN A 47 11.316 11.697 0.384 1.00 0.00 H new ATOM 0 HA GLN A 47 13.887 13.076 0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.140 13.495 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.550 14.404 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.882 15.191 -0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.459 14.296 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.358 15.135 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.125 16.740 0.598 1.00 0.00 H new ATOM 732 N SER A 48 12.754 11.789 3.357 1.00 0.00 N ATOM 733 CA SER A 48 13.117 11.131 4.603 1.00 0.00 C ATOM 734 C SER A 48 13.352 9.634 4.430 1.00 0.00 C ATOM 735 O SER A 48 14.352 9.119 4.938 1.00 0.00 O ATOM 736 CB SER A 48 12.005 11.363 5.641 1.00 0.00 C ATOM 737 OG SER A 48 12.382 10.897 6.929 1.00 0.00 O ATOM 0 H SER A 48 11.799 12.148 3.364 1.00 0.00 H new ATOM 0 HA SER A 48 14.057 11.566 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.772 12.427 5.693 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.096 10.853 5.321 1.00 0.00 H new ATOM 0 HG SER A 48 11.653 11.062 7.563 1.00 0.00 H new ATOM 743 N GLY A 49 12.453 8.939 3.740 1.00 0.00 N ATOM 744 CA GLY A 49 12.529 7.501 3.542 1.00 0.00 C ATOM 745 C GLY A 49 11.363 6.848 4.276 1.00 0.00 C ATOM 746 O GLY A 49 10.373 7.503 4.611 1.00 0.00 O ATOM 0 H GLY A 49 11.640 9.368 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.488 7.263 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.477 7.117 3.919 1.00 0.00 H new ATOM 750 N LEU A 50 11.412 5.526 4.405 1.00 0.00 N ATOM 751 CA LEU A 50 10.396 4.739 5.090 1.00 0.00 C ATOM 752 C LEU A 50 10.651 4.914 6.598 1.00 0.00 C ATOM 753 O LEU A 50 11.819 4.891 7.005 1.00 0.00 O ATOM 754 CB LEU A 50 10.527 3.276 4.640 1.00 0.00 C ATOM 755 CG LEU A 50 9.451 2.356 5.237 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.054 2.559 4.636 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.855 0.908 4.956 1.00 0.00 C ATOM 0 H LEU A 50 12.174 4.962 4.029 1.00 0.00 H new ATOM 0 HA LEU A 50 9.380 5.058 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.470 3.232 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.511 2.903 4.923 1.00 0.00 H new ATOM 0 HG LEU A 50 9.392 2.594 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.351 1.873 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.730 3.586 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.087 2.362 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.105 0.234 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.927 0.753 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.821 0.704 5.417 1.00 0.00 H new ATOM 769 N PRO A 51 9.623 5.105 7.443 1.00 0.00 N ATOM 770 CA PRO A 51 9.811 5.292 8.872 1.00 0.00 C ATOM 771 C PRO A 51 10.087 3.958 9.559 1.00 0.00 C ATOM 772 O PRO A 51 9.620 2.902 9.120 1.00 0.00 O ATOM 773 CB PRO A 51 8.513 5.929 9.370 1.00 0.00 C ATOM 774 CG PRO A 51 7.455 5.410 8.408 1.00 0.00 C ATOM 775 CD PRO A 51 8.212 5.138 7.108 1.00 0.00 C ATOM 0 HA PRO A 51 10.670 5.924 9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.295 5.639 10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.570 7.017 9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.984 4.504 8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.662 6.143 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.897 4.192 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.008 5.915 6.372 1.00 0.00 H new ATOM 783 N ALA A 52 10.757 4.016 10.709 1.00 0.00 N ATOM 784 CA ALA A 52 11.125 2.851 11.500 1.00 0.00 C ATOM 785 C ALA A 52 9.913 2.056 12.007 1.00 0.00 C ATOM 786 O ALA A 52 10.049 0.899 12.415 1.00 0.00 O ATOM 787 CB ALA A 52 11.974 3.302 12.684 1.00 0.00 C ATOM 0 H ALA A 52 11.064 4.896 11.123 1.00 0.00 H new ATOM 0 HA ALA A 52 11.687 2.182 10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.254 2.435 13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.874 3.797 12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.402 3.997 13.298 1.00 0.00 H new ATOM 793 N LYS A 53 8.726 2.668 11.982 1.00 0.00 N ATOM 794 CA LYS A 53 7.474 2.068 12.426 1.00 0.00 C ATOM 795 C LYS A 53 6.743 1.336 11.309 1.00 0.00 C ATOM 796 O LYS A 53 5.865 0.532 11.611 1.00 0.00 O ATOM 797 CB LYS A 53 6.526 3.142 12.979 1.00 0.00 C ATOM 798 CG LYS A 53 7.174 4.210 13.868 1.00 0.00 C ATOM 799 CD LYS A 53 7.885 3.632 15.097 1.00 0.00 C ATOM 800 CE LYS A 53 6.895 3.014 16.087 1.00 0.00 C ATOM 801 NZ LYS A 53 7.593 2.250 17.135 1.00 0.00 N ATOM 0 H LYS A 53 8.611 3.623 11.642 1.00 0.00 H new ATOM 0 HA LYS A 53 7.746 1.349 13.199 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.042 3.640 12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.741 2.647 13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.892 4.778 13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.407 4.911 14.198 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.602 2.875 14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.452 4.420 15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.296 3.801 16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.206 2.359 15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.896 1.843 17.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.145 1.484 16.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.232 2.882 17.658 1.00 0.00 H new ATOM 815 N LEU A 54 7.070 1.618 10.043 1.00 0.00 N ATOM 816 CA LEU A 54 6.432 0.994 8.885 1.00 0.00 C ATOM 817 C LEU A 54 7.427 0.177 8.061 1.00 0.00 C ATOM 818 O LEU A 54 7.213 -0.017 6.865 1.00 0.00 O ATOM 819 CB LEU A 54 5.717 2.044 8.022 1.00 0.00 C ATOM 820 CG LEU A 54 4.620 2.845 8.742 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.082 3.910 7.781 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.469 1.960 9.234 1.00 0.00 C ATOM 0 H LEU A 54 7.793 2.293 9.794 1.00 0.00 H new ATOM 0 HA LEU A 54 5.681 0.298 9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.460 2.742 7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.274 1.543 7.161 1.00 0.00 H new ATOM 0 HG LEU A 54 5.063 3.305 9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.302 4.487 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.893 4.575 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.668 3.426 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.723 2.578 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.010 1.454 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.854 1.218 9.933 1.00 0.00 H new ATOM 834 N ARG A 55 8.508 -0.306 8.670 1.00 0.00 N ATOM 835 CA ARG A 55 9.560 -1.114 8.047 1.00 0.00 C ATOM 836 C ARG A 55 9.553 -2.557 8.559 1.00 0.00 C ATOM 837 O ARG A 55 10.584 -3.118 8.934 1.00 0.00 O ATOM 838 CB ARG A 55 10.920 -0.431 8.203 1.00 0.00 C ATOM 839 CG ARG A 55 11.347 -0.330 9.665 1.00 0.00 C ATOM 840 CD ARG A 55 12.861 -0.340 9.725 1.00 0.00 C ATOM 841 NE ARG A 55 13.346 -0.037 11.076 1.00 0.00 N ATOM 842 CZ ARG A 55 14.581 0.332 11.422 1.00 0.00 C ATOM 843 NH1 ARG A 55 15.537 0.530 10.518 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.830 0.502 12.712 1.00 0.00 N ATOM 0 H ARG A 55 8.685 -0.137 9.660 1.00 0.00 H new ATOM 0 HA ARG A 55 9.353 -1.183 6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.671 -0.988 7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.876 0.568 7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.956 0.584 10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.940 -1.164 10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.232 -1.317 9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.259 0.391 9.021 1.00 0.00 H new ATOM 0 HE ARG A 55 12.666 -0.117 11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.336 0.400 9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.471 0.812 10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.091 0.351 13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.761 0.784 13.019 1.00 0.00 H new ATOM 858 N HIS A 56 8.362 -3.124 8.680 1.00 0.00 N ATOM 859 CA HIS A 56 8.204 -4.500 9.115 1.00 0.00 C ATOM 860 C HIS A 56 8.898 -5.394 8.082 1.00 0.00 C ATOM 861 O HIS A 56 9.104 -4.979 6.940 1.00 0.00 O ATOM 862 CB HIS A 56 6.722 -4.870 9.316 1.00 0.00 C ATOM 863 CG HIS A 56 6.485 -5.873 10.432 1.00 0.00 C ATOM 864 ND1 HIS A 56 7.374 -6.276 11.418 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.299 -6.511 10.675 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.732 -7.129 12.230 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.463 -7.308 11.816 1.00 0.00 N ATOM 0 H HIS A 56 7.484 -2.645 8.480 1.00 0.00 H new ATOM 0 HA HIS A 56 8.667 -4.644 10.091 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.157 -3.963 9.530 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.330 -5.278 8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.396 -6.417 10.090 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.171 -7.605 13.094 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.759 -7.906 12.248 1.00 0.00 H new ATOM 875 N GLU A 57 9.196 -6.626 8.484 1.00 0.00 N ATOM 876 CA GLU A 57 9.874 -7.677 7.729 1.00 0.00 C ATOM 877 C GLU A 57 9.532 -7.709 6.238 1.00 0.00 C ATOM 878 O GLU A 57 10.405 -7.874 5.384 1.00 0.00 O ATOM 879 CB GLU A 57 9.491 -9.042 8.339 1.00 0.00 C ATOM 880 CG GLU A 57 9.747 -9.161 9.846 1.00 0.00 C ATOM 881 CD GLU A 57 11.233 -9.055 10.151 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.953 -10.051 9.900 1.00 0.00 O ATOM 883 OE2 GLU A 57 11.661 -7.979 10.626 1.00 0.00 O ATOM 0 H GLU A 57 8.950 -6.941 9.422 1.00 0.00 H new ATOM 0 HA GLU A 57 10.941 -7.465 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.434 -9.227 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.050 -9.824 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.206 -8.376 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.363 -10.114 10.211 1.00 0.00 H new ATOM 890 N GLN A 58 8.243 -7.605 5.919 1.00 0.00 N ATOM 891 CA GLN A 58 7.731 -7.650 4.560 1.00 0.00 C ATOM 892 C GLN A 58 6.559 -6.690 4.467 1.00 0.00 C ATOM 893 O GLN A 58 5.669 -6.715 5.327 1.00 0.00 O ATOM 894 CB GLN A 58 7.312 -9.091 4.221 1.00 0.00 C ATOM 895 CG GLN A 58 8.400 -10.141 4.528 1.00 0.00 C ATOM 896 CD GLN A 58 8.014 -11.550 4.118 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.064 -11.763 3.376 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.693 -12.541 4.655 1.00 0.00 N ATOM 0 H GLN A 58 7.512 -7.484 6.620 1.00 0.00 H new ATOM 0 HA GLN A 58 8.493 -7.349 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.411 -9.340 4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.054 -9.146 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.320 -9.861 4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.615 -10.128 5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.482 -12.344 5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.431 -13.506 4.455 1.00 0.00 H new ATOM 907 N ILE A 59 6.550 -5.843 3.438 1.00 0.00 N ATOM 908 CA ILE A 59 5.510 -4.846 3.232 1.00 0.00 C ATOM 909 C ILE A 59 5.050 -4.863 1.771 1.00 0.00 C ATOM 910 O ILE A 59 5.704 -5.474 0.928 1.00 0.00 O ATOM 911 CB ILE A 59 5.992 -3.467 3.756 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.682 -2.597 2.685 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.910 -3.598 4.996 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.095 -1.234 3.247 1.00 0.00 C ATOM 0 H ILE A 59 7.274 -5.833 2.719 1.00 0.00 H new ATOM 0 HA ILE A 59 4.620 -5.082 3.815 1.00 0.00 H new ATOM 0 HB ILE A 59 5.076 -2.953 4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.562 -3.116 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.007 -2.454 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.221 -2.606 5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.366 -4.093 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.790 -4.187 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.578 -0.649 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.211 -0.704 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.790 -1.377 4.074 1.00 0.00 H new ATOM 926 N ILE A 60 3.950 -4.192 1.438 1.00 0.00 N ATOM 927 CA ILE A 60 3.378 -4.125 0.092 1.00 0.00 C ATOM 928 C ILE A 60 3.119 -2.654 -0.235 1.00 0.00 C ATOM 929 O ILE A 60 2.862 -1.853 0.672 1.00 0.00 O ATOM 930 CB ILE A 60 2.072 -4.967 0.053 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.319 -6.469 0.317 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.324 -4.849 -1.289 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.208 -7.132 1.134 1.00 0.00 C ATOM 0 H ILE A 60 3.412 -3.660 2.122 1.00 0.00 H new ATOM 0 HA ILE A 60 4.057 -4.536 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 60 1.462 -4.547 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.417 -6.987 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.267 -6.587 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.421 -5.458 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.053 -3.808 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.968 -5.197 -2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.445 -8.186 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.125 -6.639 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.262 -7.045 0.600 1.00 0.00 H new ATOM 945 N PHE A 61 3.181 -2.305 -1.525 1.00 0.00 N ATOM 946 CA PHE A 61 2.944 -0.966 -2.034 1.00 0.00 C ATOM 947 C PHE A 61 1.759 -1.026 -2.982 1.00 0.00 C ATOM 948 O PHE A 61 1.786 -1.747 -3.984 1.00 0.00 O ATOM 949 CB PHE A 61 4.180 -0.398 -2.745 1.00 0.00 C ATOM 950 CG PHE A 61 5.378 -0.139 -1.856 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.192 0.435 -0.588 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.686 -0.447 -2.286 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.280 0.621 0.266 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.780 -0.223 -1.439 1.00 0.00 C ATOM 955 CZ PHE A 61 7.574 0.278 -0.147 1.00 0.00 C ATOM 0 H PHE A 61 3.405 -2.975 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 61 2.731 -0.297 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.476 -1.091 -3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.901 0.537 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.203 0.734 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.845 -0.857 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.123 1.032 1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.781 -0.437 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.409 0.399 0.527 1.00 0.00 H new ATOM 965 N HIS A 62 0.724 -0.259 -2.652 1.00 0.00 N ATOM 966 CA HIS A 62 -0.513 -0.146 -3.407 1.00 0.00 C ATOM 967 C HIS A 62 -0.822 1.336 -3.638 1.00 0.00 C ATOM 968 O HIS A 62 -0.300 2.199 -2.924 1.00 0.00 O ATOM 969 CB HIS A 62 -1.642 -0.900 -2.686 1.00 0.00 C ATOM 970 CG HIS A 62 -2.141 -0.307 -1.392 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.471 0.554 -0.544 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.366 -0.569 -0.837 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.292 0.841 0.473 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.464 0.212 0.323 1.00 0.00 N ATOM 0 H HIS A 62 0.728 0.324 -1.815 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.413 -0.613 -4.387 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.487 -0.981 -3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.297 -1.914 -2.484 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.522 0.907 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.114 -1.248 -1.220 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.044 1.490 1.300 1.00 0.00 H new ATOM 982 N CYS A 63 -1.620 1.635 -4.664 1.00 0.00 N ATOM 983 CA CYS A 63 -2.026 2.980 -5.054 1.00 0.00 C ATOM 984 C CYS A 63 -3.446 2.894 -5.650 1.00 0.00 C ATOM 985 O CYS A 63 -4.057 1.834 -5.548 1.00 0.00 O ATOM 986 CB CYS A 63 -0.933 3.543 -5.983 1.00 0.00 C ATOM 987 SG CYS A 63 -1.047 5.336 -6.248 1.00 0.00 S ATOM 0 H CYS A 63 -2.016 0.915 -5.269 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.103 3.684 -4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.045 3.309 -5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.994 3.038 -6.947 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.089 5.720 -7.038 1.00 0.00 H new ATOM 993 N GLN A 64 -3.998 3.968 -6.234 1.00 0.00 N ATOM 994 CA GLN A 64 -5.350 3.982 -6.818 1.00 0.00 C ATOM 995 C GLN A 64 -5.553 2.873 -7.860 1.00 0.00 C ATOM 996 O GLN A 64 -6.389 1.993 -7.663 1.00 0.00 O ATOM 997 CB GLN A 64 -5.671 5.354 -7.448 1.00 0.00 C ATOM 998 CG GLN A 64 -6.152 6.422 -6.454 1.00 0.00 C ATOM 999 CD GLN A 64 -7.519 6.132 -5.825 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -8.303 5.312 -6.301 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -7.825 6.795 -4.726 1.00 0.00 N ATOM 0 H GLN A 64 -3.514 4.862 -6.316 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.039 3.795 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.779 5.724 -7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.437 5.217 -8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.413 6.520 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.198 7.383 -6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.168 7.473 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.719 6.630 -4.263 1.00 0.00 H new ATOM 1087 N SER A 70 5.034 0.463 -9.306 1.00 0.00 N ATOM 1088 CA SER A 70 5.762 -0.077 -10.453 1.00 0.00 C ATOM 1089 C SER A 70 6.542 1.019 -11.204 1.00 0.00 C ATOM 1090 O SER A 70 7.261 0.717 -12.157 1.00 0.00 O ATOM 1091 CB SER A 70 4.840 -0.869 -11.400 1.00 0.00 C ATOM 1092 OG SER A 70 3.684 -1.384 -10.751 1.00 0.00 O ATOM 0 HA SER A 70 6.495 -0.781 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.531 -0.222 -12.221 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.401 -1.694 -11.838 1.00 0.00 H new ATOM 0 HG SER A 70 3.570 -0.939 -9.885 1.00 0.00 H new ATOM 1098 N ASN A 71 6.481 2.281 -10.762 1.00 0.00 N ATOM 1099 CA ASN A 71 7.146 3.418 -11.399 1.00 0.00 C ATOM 1100 C ASN A 71 8.394 3.918 -10.672 1.00 0.00 C ATOM 1101 O ASN A 71 9.252 4.565 -11.278 1.00 0.00 O ATOM 1102 CB ASN A 71 6.117 4.547 -11.496 1.00 0.00 C ATOM 1103 CG ASN A 71 6.497 5.532 -12.582 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.977 6.626 -12.317 1.00 0.00 O ATOM 1105 ND2 ASN A 71 6.290 5.162 -13.828 1.00 0.00 N ATOM 0 H ASN A 71 5.953 2.544 -9.930 1.00 0.00 H new ATOM 0 HA ASN A 71 7.503 3.087 -12.374 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.132 4.130 -11.706 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.047 5.064 -10.539 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.531 5.791 -14.594 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.889 4.246 -14.028 1.00 0.00 H new ATOM 1112 N ASN A 72 8.501 3.614 -9.374 1.00 0.00 N ATOM 1113 CA ASN A 72 9.615 4.010 -8.510 1.00 0.00 C ATOM 1114 C ASN A 72 10.134 2.826 -7.691 1.00 0.00 C ATOM 1115 O ASN A 72 10.872 3.023 -6.735 1.00 0.00 O ATOM 1116 CB ASN A 72 9.171 5.155 -7.584 1.00 0.00 C ATOM 1117 CG ASN A 72 8.813 6.407 -8.368 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.692 7.155 -8.781 1.00 0.00 O ATOM 1119 ND2 ASN A 72 7.531 6.615 -8.629 1.00 0.00 N ATOM 0 H ASN A 72 7.793 3.069 -8.882 1.00 0.00 H new ATOM 0 HA ASN A 72 10.434 4.356 -9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.310 4.835 -6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.970 5.383 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.249 7.419 -9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.826 5.972 -8.269 1.00 0.00 H new ATOM 1126 N ALA A 73 9.693 1.606 -8.009 1.00 0.00 N ATOM 1127 CA ALA A 73 9.987 0.324 -7.402 1.00 0.00 C ATOM 1128 C ALA A 73 11.477 0.125 -7.186 1.00 0.00 C ATOM 1129 O ALA A 73 11.851 -0.425 -6.163 1.00 0.00 O ATOM 1130 CB ALA A 73 9.384 -0.788 -8.265 1.00 0.00 C ATOM 0 H ALA A 73 9.047 1.491 -8.790 1.00 0.00 H new ATOM 0 HA ALA A 73 9.534 0.291 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.601 -1.756 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.304 -0.652 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.817 -0.748 -9.265 1.00 0.00 H new ATOM 1136 N ASP A 74 12.286 0.618 -8.114 1.00 0.00 N ATOM 1137 CA ASP A 74 13.742 0.566 -8.141 1.00 0.00 C ATOM 1138 C ASP A 74 14.309 1.137 -6.846 1.00 0.00 C ATOM 1139 O ASP A 74 14.903 0.415 -6.043 1.00 0.00 O ATOM 1140 CB ASP A 74 14.163 1.354 -9.381 1.00 0.00 C ATOM 1141 CG ASP A 74 15.648 1.691 -9.473 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.912 2.876 -9.777 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.508 0.790 -9.418 1.00 0.00 O ATOM 0 H ASP A 74 11.913 1.102 -8.931 1.00 0.00 H new ATOM 0 HA ASP A 74 14.129 -0.451 -8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.883 0.782 -10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.595 2.284 -9.409 1.00 0.00 H new ATOM 1148 N LYS A 75 14.081 2.430 -6.610 1.00 0.00 N ATOM 1149 CA LYS A 75 14.563 3.086 -5.391 1.00 0.00 C ATOM 1150 C LYS A 75 13.693 2.670 -4.218 1.00 0.00 C ATOM 1151 O LYS A 75 14.214 2.451 -3.134 1.00 0.00 O ATOM 1152 CB LYS A 75 14.623 4.619 -5.469 1.00 0.00 C ATOM 1153 CG LYS A 75 15.095 5.172 -6.818 1.00 0.00 C ATOM 1154 CD LYS A 75 13.936 5.235 -7.823 1.00 0.00 C ATOM 1155 CE LYS A 75 13.740 6.680 -8.286 1.00 0.00 C ATOM 1156 NZ LYS A 75 12.486 6.826 -9.039 1.00 0.00 N ATOM 0 H LYS A 75 13.568 3.043 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 75 15.593 2.756 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.632 5.020 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.291 4.983 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.516 6.168 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.891 4.542 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.147 4.593 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.021 4.862 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.729 7.344 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.581 6.983 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.547 7.660 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.328 5.977 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.694 6.945 -8.375 1.00 0.00 H new ATOM 1170 N LEU A 76 12.375 2.528 -4.409 1.00 0.00 N ATOM 1171 CA LEU A 76 11.459 2.112 -3.339 1.00 0.00 C ATOM 1172 C LEU A 76 11.964 0.820 -2.702 1.00 0.00 C ATOM 1173 O LEU A 76 11.987 0.746 -1.473 1.00 0.00 O ATOM 1174 CB LEU A 76 10.019 1.923 -3.824 1.00 0.00 C ATOM 1175 CG LEU A 76 9.203 3.215 -3.981 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.862 2.865 -4.627 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.876 3.846 -2.628 1.00 0.00 C ATOM 0 H LEU A 76 11.916 2.697 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 76 11.443 2.916 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.041 1.408 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.500 1.268 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 76 9.794 3.909 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.268 3.771 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.036 2.413 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.325 2.161 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.298 4.757 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.294 3.144 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.802 4.087 -2.106 1.00 0.00 H new ATOM 1189 N ALA A 77 12.406 -0.158 -3.505 1.00 0.00 N ATOM 1190 CA ALA A 77 12.952 -1.428 -3.003 1.00 0.00 C ATOM 1191 C ALA A 77 14.133 -1.204 -2.042 1.00 0.00 C ATOM 1192 O ALA A 77 14.297 -1.951 -1.070 1.00 0.00 O ATOM 1193 CB ALA A 77 13.442 -2.287 -4.166 1.00 0.00 C ATOM 0 H ALA A 77 12.395 -0.091 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 77 12.147 -1.929 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.844 -3.224 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.610 -2.497 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.222 -1.753 -4.709 1.00 0.00 H new ATOM 1199 N ALA A 78 14.979 -0.214 -2.341 1.00 0.00 N ATOM 1200 CA ALA A 78 16.145 0.155 -1.553 1.00 0.00 C ATOM 1201 C ALA A 78 15.733 0.961 -0.322 1.00 0.00 C ATOM 1202 O ALA A 78 16.218 0.677 0.767 1.00 0.00 O ATOM 1203 CB ALA A 78 17.127 0.947 -2.416 1.00 0.00 C ATOM 0 H ALA A 78 14.861 0.370 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 78 16.637 -0.754 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.997 1.220 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.443 0.336 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.641 1.851 -2.784 1.00 0.00 H new ATOM 1209 N ILE A 79 14.832 1.937 -0.451 1.00 0.00 N ATOM 1210 CA ILE A 79 14.365 2.755 0.671 1.00 0.00 C ATOM 1211 C ILE A 79 13.706 1.829 1.710 1.00 0.00 C ATOM 1212 O ILE A 79 13.927 1.966 2.911 1.00 0.00 O ATOM 1213 CB ILE A 79 13.372 3.851 0.194 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.955 4.870 -0.809 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.866 4.634 1.417 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.884 5.637 -1.614 1.00 0.00 C ATOM 0 H ILE A 79 14.403 2.184 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 79 15.213 3.270 1.122 1.00 0.00 H new ATOM 0 HB ILE A 79 12.579 3.316 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.571 5.587 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.612 4.346 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.168 5.406 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.360 3.953 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.710 5.099 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.371 6.333 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.283 4.930 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.241 6.190 -0.929 1.00 0.00 H new ATOM 1228 N ALA A 80 12.873 0.891 1.247 1.00 0.00 N ATOM 1229 CA ALA A 80 12.172 -0.041 2.115 1.00 0.00 C ATOM 1230 C ALA A 80 13.120 -0.978 2.854 1.00 0.00 C ATOM 1231 O ALA A 80 12.903 -1.233 4.038 1.00 0.00 O ATOM 1232 CB ALA A 80 11.169 -0.864 1.303 1.00 0.00 C ATOM 0 H ALA A 80 12.670 0.762 0.256 1.00 0.00 H new ATOM 0 HA ALA A 80 11.649 0.555 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.650 -1.559 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.445 -0.197 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.698 -1.423 0.531 1.00 0.00 H new ATOM 1238 N ALA A 81 14.149 -1.477 2.163 1.00 0.00 N ATOM 1239 CA ALA A 81 15.122 -2.395 2.734 1.00 0.00 C ATOM 1240 C ALA A 81 15.717 -1.881 4.057 1.00 0.00 C ATOM 1241 O ALA A 81 15.907 -0.668 4.192 1.00 0.00 O ATOM 1242 CB ALA A 81 16.245 -2.631 1.726 1.00 0.00 C ATOM 0 H ALA A 81 14.326 -1.250 1.185 1.00 0.00 H new ATOM 0 HA ALA A 81 14.601 -3.327 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.976 -3.319 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.831 -3.060 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.730 -1.683 1.494 1.00 0.00 H new ATOM 1248 N PRO A 82 16.105 -2.765 4.993 1.00 0.00 N ATOM 1249 CA PRO A 82 16.026 -4.223 4.937 1.00 0.00 C ATOM 1250 C PRO A 82 14.599 -4.698 5.261 1.00 0.00 C ATOM 1251 O PRO A 82 14.157 -4.617 6.404 1.00 0.00 O ATOM 1252 CB PRO A 82 17.047 -4.714 5.968 1.00 0.00 C ATOM 1253 CG PRO A 82 17.050 -3.610 7.021 1.00 0.00 C ATOM 1254 CD PRO A 82 16.777 -2.348 6.211 1.00 0.00 C ATOM 0 HA PRO A 82 16.248 -4.619 3.946 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.757 -5.674 6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.033 -4.848 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.284 -3.775 7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.006 -3.554 7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.156 -1.653 6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.707 -1.829 5.980 1.00 0.00 H new ATOM 1262 N ALA A 83 13.861 -5.141 4.245 1.00 0.00 N ATOM 1263 CA ALA A 83 12.495 -5.647 4.276 1.00 0.00 C ATOM 1264 C ALA A 83 12.118 -6.018 2.841 1.00 0.00 C ATOM 1265 O ALA A 83 12.742 -5.534 1.889 1.00 0.00 O ATOM 1266 CB ALA A 83 11.505 -4.577 4.760 1.00 0.00 C ATOM 0 H ALA A 83 14.239 -5.155 3.298 1.00 0.00 H new ATOM 0 HA ALA A 83 12.446 -6.496 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.497 -4.992 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.776 -4.259 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.538 -3.720 4.088 1.00 0.00 H new ATOM 1272 N GLU A 84 11.116 -6.873 2.672 1.00 0.00 N ATOM 1273 CA GLU A 84 10.622 -7.307 1.369 1.00 0.00 C ATOM 1274 C GLU A 84 9.548 -6.319 0.927 1.00 0.00 C ATOM 1275 O GLU A 84 8.917 -5.656 1.754 1.00 0.00 O ATOM 1276 CB GLU A 84 10.107 -8.750 1.386 1.00 0.00 C ATOM 1277 CG GLU A 84 11.277 -9.697 1.675 1.00 0.00 C ATOM 1278 CD GLU A 84 10.917 -11.181 1.631 1.00 0.00 C ATOM 1279 OE1 GLU A 84 11.357 -11.886 2.571 1.00 0.00 O ATOM 1280 OE2 GLU A 84 10.379 -11.652 0.604 1.00 0.00 O ATOM 0 H GLU A 84 10.613 -7.293 3.453 1.00 0.00 H new ATOM 0 HA GLU A 84 11.442 -7.311 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.334 -8.864 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.651 -8.998 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.069 -9.507 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.682 -9.463 2.660 1.00 0.00 H new ATOM 1287 N ILE A 85 9.347 -6.225 -0.385 1.00 0.00 N ATOM 1288 CA ILE A 85 8.410 -5.324 -1.018 1.00 0.00 C ATOM 1289 C ILE A 85 7.733 -6.036 -2.176 1.00 0.00 C ATOM 1290 O ILE A 85 8.383 -6.799 -2.897 1.00 0.00 O ATOM 1291 CB ILE A 85 9.103 -4.034 -1.499 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.462 -4.267 -2.197 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.199 -3.024 -0.350 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.667 -4.371 -1.254 1.00 0.00 C ATOM 0 H ILE A 85 9.856 -6.801 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 85 7.659 -5.030 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 85 8.472 -3.612 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.399 -5.183 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.638 -3.451 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.690 -2.117 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.198 -2.780 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.777 -3.456 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.573 -4.534 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.764 -3.447 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.522 -5.206 -0.569 1.00 0.00 H new ATOM 1306 N PHE A 86 6.451 -5.738 -2.376 1.00 0.00 N ATOM 1307 CA PHE A 86 5.620 -6.308 -3.422 1.00 0.00 C ATOM 1308 C PHE A 86 4.780 -5.187 -4.028 1.00 0.00 C ATOM 1309 O PHE A 86 4.666 -4.106 -3.437 1.00 0.00 O ATOM 1310 CB PHE A 86 4.730 -7.419 -2.847 1.00 0.00 C ATOM 1311 CG PHE A 86 5.480 -8.522 -2.122 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.994 -8.300 -0.834 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.622 -9.791 -2.699 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.701 -9.296 -0.148 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.330 -10.794 -2.015 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.867 -10.551 -0.741 1.00 0.00 C ATOM 0 H PHE A 86 5.949 -5.069 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 86 6.240 -6.756 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.014 -6.972 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.155 -7.863 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.841 -7.341 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.189 -9.998 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.114 -9.096 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.462 -11.762 -2.475 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.406 -11.330 -0.222 1.00 0.00 H new ATOM 1326 N LEU A 87 4.184 -5.443 -5.192 1.00 0.00 N ATOM 1327 CA LEU A 87 3.359 -4.488 -5.919 1.00 0.00 C ATOM 1328 C LEU A 87 1.988 -5.082 -6.202 1.00 0.00 C ATOM 1329 O LEU A 87 1.866 -6.281 -6.460 1.00 0.00 O ATOM 1330 CB LEU A 87 4.023 -4.125 -7.260 1.00 0.00 C ATOM 1331 CG LEU A 87 5.422 -3.493 -7.166 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.014 -3.348 -8.571 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.386 -2.121 -6.483 1.00 0.00 C ATOM 0 H LEU A 87 4.266 -6.343 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 87 3.253 -3.594 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.093 -5.029 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.369 -3.435 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 87 6.044 -4.151 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.005 -2.900 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.091 -4.331 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.368 -2.710 -9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.395 -1.711 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.746 -1.448 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.992 -2.228 -5.472 1.00 0.00 H new ATOM 1345 N LEU A 88 0.981 -4.210 -6.193 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.416 -4.514 -6.457 1.00 0.00 C ATOM 1347 C LEU A 88 -0.744 -3.799 -7.766 1.00 0.00 C ATOM 1348 O LEU A 88 -0.626 -2.568 -7.832 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.288 -4.002 -5.296 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.795 -4.191 -5.558 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.262 -5.625 -5.324 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.617 -3.273 -4.656 1.00 0.00 C ATOM 0 H LEU A 88 1.130 -3.222 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.606 -5.584 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.013 -4.527 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.082 -2.945 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.948 -3.943 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.331 -5.697 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.722 -6.297 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.067 -5.907 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.678 -3.421 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.408 -3.507 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.352 -2.235 -4.855 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.130 -4.536 -8.806 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.467 -3.971 -10.106 1.00 0.00 C ATOM 1366 C GLU A 89 -2.759 -3.142 -10.000 1.00 0.00 C ATOM 1367 O GLU A 89 -2.724 -1.908 -10.033 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.547 -5.108 -11.150 1.00 0.00 C ATOM 1369 CG GLU A 89 -1.479 -4.644 -12.612 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.568 -3.644 -12.998 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -3.727 -4.051 -13.220 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.275 -2.426 -13.099 1.00 0.00 O ATOM 0 H GLU A 89 -1.218 -5.551 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.691 -3.283 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.732 -5.808 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.477 -5.656 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.504 -4.192 -12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.553 -5.515 -13.263 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.879 -3.829 -9.773 1.00 0.00 N ATOM 1380 CA ASP A 90 -5.248 -3.328 -9.663 1.00 0.00 C ATOM 1381 C ASP A 90 -5.407 -2.023 -8.906 1.00 0.00 C ATOM 1382 O ASP A 90 -6.115 -1.121 -9.366 1.00 0.00 O ATOM 1383 CB ASP A 90 -6.136 -4.346 -8.939 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.270 -5.661 -9.677 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -5.284 -6.427 -9.688 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.356 -5.885 -10.260 1.00 0.00 O ATOM 0 H ASP A 90 -3.847 -4.841 -9.651 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.540 -3.158 -10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.725 -4.535 -7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.127 -3.916 -8.796 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.745 -1.934 -7.753 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.795 -0.782 -6.877 1.00 0.00 C ATOM 1393 C GLY A 91 -5.957 -0.927 -5.894 1.00 0.00 C ATOM 1394 O GLY A 91 -6.547 -2.004 -5.762 1.00 0.00 O ATOM 0 H GLY A 91 -4.148 -2.682 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.856 -0.687 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.916 0.128 -7.465 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.282 0.155 -5.185 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.365 0.234 -4.202 1.00 0.00 C ATOM 1400 C ILE A 92 -8.682 -0.238 -4.844 1.00 0.00 C ATOM 1401 O ILE A 92 -9.573 -0.775 -4.186 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.408 1.678 -3.638 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.809 1.743 -2.155 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.248 2.658 -4.479 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.166 1.160 -1.769 1.00 0.00 C ATOM 0 H ILE A 92 -5.778 1.036 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.197 -0.432 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.374 2.014 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.043 1.227 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.791 2.788 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.227 3.645 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.835 2.720 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.278 2.304 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.319 1.273 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.955 1.688 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.195 0.102 -2.030 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.791 -0.065 -6.161 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.937 -0.469 -6.945 1.00 0.00 C ATOM 1419 C ASP A 93 -10.152 -1.972 -6.791 1.00 0.00 C ATOM 1420 O ASP A 93 -11.253 -2.404 -6.458 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.691 -0.082 -8.402 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.975 -0.200 -9.203 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.553 0.863 -9.526 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -11.402 -1.327 -9.533 1.00 0.00 O ATOM 0 H ASP A 93 -8.059 0.373 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.840 0.034 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.314 0.939 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.925 -0.727 -8.832 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.095 -2.767 -6.996 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.134 -4.219 -6.876 1.00 0.00 C ATOM 1431 C GLY A 94 -9.374 -4.638 -5.438 1.00 0.00 C ATOM 1432 O GLY A 94 -10.114 -5.589 -5.204 1.00 0.00 O ATOM 0 H GLY A 94 -8.176 -2.408 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.924 -4.619 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.194 -4.642 -7.230 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.793 -3.909 -4.479 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.954 -4.181 -3.054 1.00 0.00 C ATOM 1438 C TRP A 95 -10.461 -4.221 -2.755 1.00 0.00 C ATOM 1439 O TRP A 95 -11.002 -5.205 -2.242 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.232 -3.103 -2.241 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.188 -3.383 -0.780 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.166 -3.102 0.107 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.127 -4.033 -0.027 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.788 -3.547 1.355 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.570 -4.196 1.317 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -5.843 -4.512 -0.359 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.806 -4.878 2.274 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.062 -5.192 0.601 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.545 -5.382 1.910 1.00 0.00 C ATOM 0 H TRP A 95 -8.193 -3.108 -4.676 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.513 -5.138 -2.776 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.213 -3.002 -2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.727 -2.146 -2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.097 -2.607 -0.125 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.340 -3.413 2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.454 -4.358 -1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.181 -5.015 3.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.087 -5.569 0.329 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.947 -5.915 2.634 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.161 -3.139 -3.122 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.603 -3.013 -2.931 1.00 0.00 C ATOM 1462 C LYS A 96 -13.351 -4.000 -3.818 1.00 0.00 C ATOM 1463 O LYS A 96 -14.369 -4.530 -3.387 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.053 -1.588 -3.266 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.629 -0.577 -2.193 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.586 0.841 -2.766 1.00 0.00 C ATOM 1467 CE LYS A 96 -13.944 1.359 -3.251 1.00 0.00 C ATOM 1468 NZ LYS A 96 -13.767 2.466 -4.210 1.00 0.00 N ATOM 0 H LYS A 96 -10.735 -2.324 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.830 -3.233 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.632 -1.293 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.138 -1.567 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.327 -0.614 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.648 -0.846 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.202 1.518 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.882 0.865 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.501 0.549 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.534 1.699 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.698 2.803 -4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.255 3.245 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.223 2.131 -5.030 1.00 0.00 H new ATOM 1482 N LYS A 97 -12.897 -4.243 -5.053 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.542 -5.175 -5.978 1.00 0.00 C ATOM 1484 C LYS A 97 -13.656 -6.544 -5.325 1.00 0.00 C ATOM 1485 O LYS A 97 -14.745 -7.106 -5.286 1.00 0.00 O ATOM 1486 CB LYS A 97 -12.753 -5.268 -7.298 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.604 -5.751 -8.480 1.00 0.00 C ATOM 1488 CD LYS A 97 -14.615 -4.708 -8.985 1.00 0.00 C ATOM 1489 CE LYS A 97 -13.912 -3.458 -9.529 1.00 0.00 C ATOM 1490 NZ LYS A 97 -14.862 -2.457 -10.044 1.00 0.00 N ATOM 0 H LYS A 97 -12.066 -3.794 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.541 -4.807 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.337 -4.289 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.911 -5.947 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.943 -6.030 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.142 -6.651 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.233 -5.148 -9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.284 -4.425 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.310 -3.010 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.227 -3.748 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.338 -1.632 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.419 -2.873 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.500 -2.158 -9.279 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.559 -7.039 -4.752 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.501 -8.330 -4.085 1.00 0.00 C ATOM 1506 C ALA A 98 -13.409 -8.410 -2.849 1.00 0.00 C ATOM 1507 O ALA A 98 -13.685 -9.511 -2.377 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.051 -8.599 -3.692 1.00 0.00 C ATOM 0 H ALA A 98 -11.670 -6.540 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.867 -9.087 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.983 -9.564 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.428 -8.611 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.705 -7.814 -3.019 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.865 -7.276 -2.312 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.743 -7.197 -1.147 1.00 0.00 C ATOM 1516 C GLY A 99 -13.998 -6.929 0.156 1.00 0.00 C ATOM 1517 O GLY A 99 -14.564 -7.124 1.235 1.00 0.00 O ATOM 0 H GLY A 99 -13.624 -6.360 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.476 -6.406 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.297 -8.131 -1.055 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.718 -6.556 0.079 1.00 0.00 N ATOM 1522 CA LEU A 100 -11.920 -6.269 1.262 1.00 0.00 C ATOM 1523 C LEU A 100 -12.396 -4.933 1.866 1.00 0.00 C ATOM 1524 O LEU A 100 -12.928 -4.081 1.147 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.430 -6.268 0.897 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.891 -7.596 0.335 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.440 -7.407 -0.109 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -9.981 -8.719 1.374 1.00 0.00 C ATOM 0 H LEU A 100 -12.213 -6.447 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.052 -7.041 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.253 -5.483 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.855 -6.008 1.786 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.504 -7.884 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.056 -8.346 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.393 -6.639 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.835 -7.101 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.593 -9.643 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.393 -8.451 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.022 -8.863 1.665 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.206 -4.713 3.178 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.649 -3.503 3.859 1.00 0.00 C ATOM 1542 C PRO A 101 -11.839 -2.248 3.532 1.00 0.00 C ATOM 1543 O PRO A 101 -10.681 -2.305 3.112 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.532 -3.834 5.355 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.383 -4.836 5.408 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.588 -5.632 4.121 1.00 0.00 C ATOM 0 HA PRO A 101 -13.659 -3.253 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.317 -2.945 5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.456 -4.261 5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.412 -4.341 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.437 -5.471 6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.639 -6.005 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.225 -6.499 4.295 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.464 -1.100 3.789 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.934 0.242 3.619 1.00 0.00 C ATOM 1556 C VAL A 102 -12.384 1.058 4.826 1.00 0.00 C ATOM 1557 O VAL A 102 -13.395 0.772 5.468 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.366 0.931 2.311 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.421 0.575 1.162 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.814 0.669 1.899 1.00 0.00 C ATOM 0 H VAL A 102 -13.419 -1.088 4.146 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.848 0.174 3.551 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.304 1.998 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.751 1.075 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.410 0.899 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.428 -0.504 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.028 1.194 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.963 -0.401 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.485 1.027 2.680 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.615 2.093 5.122 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.805 3.025 6.210 1.00 0.00 C ATOM 1572 C ALA A 103 -12.583 4.230 5.677 1.00 0.00 C ATOM 1573 O ALA A 103 -12.181 5.372 5.897 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.422 3.400 6.767 1.00 0.00 C ATOM 0 H ALA A 103 -10.787 2.315 4.569 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.384 2.597 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.540 4.104 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.919 2.502 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.825 3.860 5.979 1.00 0.00 H new