USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 73 SER OG : rot 107:sc= -0.289 USER MOD Set 1.2: A 86 SER OG : rot -143:sc= 1.93 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 17:sc= 0.114 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.12) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0607 K(o=-0.061,f=-2.8!) USER MOD Single : A 43 HIS : no HE2:sc= -0.105 X(o=-0.11,f=-0.061) USER MOD Single : A 45 MET CE :methyl 142:sc= -0.0785 (180deg=-0.724) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc=-0.00436 (180deg=-0.106) USER MOD Single : A 56 SER OG : rot 180:sc= -0.908 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 69 GLN : amide:sc= -0.557 K(o=-0.56,f=-5.1!) USER MOD Single : A 71 THR OG1 : rot -170:sc= 0.0272 USER MOD Single : A 72 TYR OH : rot 7:sc= 0.375 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -4.57! C(o=-4.6!,f=-4.4!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -44:sc= 0.824 USER MOD Single : A 81 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 84 GLN : amide:sc=-0.00617 K(o=-0.0062,f=-1.1) USER MOD Single : A 90 SER OG : rot 33:sc= 0.338 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.850 -7.473 9.015 1.00 0.00 N ATOM 2 CA GLY A 1 -13.704 -8.338 9.226 1.00 0.00 C ATOM 3 C GLY A 1 -12.698 -7.742 10.192 1.00 0.00 C ATOM 4 O GLY A 1 -13.019 -7.484 11.352 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.508 -7.925 8.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.334 -7.310 9.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.531 -6.563 8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.044 -9.300 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.216 -8.529 8.270 1.00 0.00 H new ATOM 8 N SER A 2 -11.477 -7.526 9.714 1.00 0.00 N ATOM 9 CA SER A 2 -10.420 -6.962 10.545 1.00 0.00 C ATOM 10 C SER A 2 -10.715 -5.505 10.885 1.00 0.00 C ATOM 11 O SER A 2 -11.494 -4.841 10.201 1.00 0.00 O ATOM 12 CB SER A 2 -9.071 -7.067 9.831 1.00 0.00 C ATOM 13 OG SER A 2 -8.962 -6.100 8.801 1.00 0.00 O ATOM 0 H SER A 2 -11.195 -7.733 8.756 1.00 0.00 H new ATOM 0 HA SER A 2 -10.378 -7.532 11.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.264 -6.929 10.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.956 -8.066 9.410 1.00 0.00 H new ATOM 0 HG SER A 2 -8.090 -6.187 8.361 1.00 0.00 H new ATOM 19 N SER A 3 -10.086 -5.013 11.948 1.00 0.00 N ATOM 20 CA SER A 3 -10.284 -3.635 12.384 1.00 0.00 C ATOM 21 C SER A 3 -8.983 -2.844 12.289 1.00 0.00 C ATOM 22 O SER A 3 -7.937 -3.288 12.761 1.00 0.00 O ATOM 23 CB SER A 3 -10.810 -3.603 13.820 1.00 0.00 C ATOM 24 OG SER A 3 -9.830 -4.066 14.733 1.00 0.00 O ATOM 0 H SER A 3 -9.435 -5.548 12.523 1.00 0.00 H new ATOM 0 HA SER A 3 -11.019 -3.173 11.725 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.103 -2.586 14.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.704 -4.222 13.897 1.00 0.00 H new ATOM 0 HG SER A 3 -8.949 -4.048 14.304 1.00 0.00 H new ATOM 30 N GLY A 4 -9.056 -1.668 11.673 1.00 0.00 N ATOM 31 CA GLY A 4 -7.879 -0.832 11.526 1.00 0.00 C ATOM 32 C GLY A 4 -8.190 0.642 11.691 1.00 0.00 C ATOM 33 O GLY A 4 -8.013 1.204 12.771 1.00 0.00 O ATOM 0 H GLY A 4 -9.910 -1.279 11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.133 -1.127 12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.439 -0.999 10.543 1.00 0.00 H new ATOM 37 N SER A 5 -8.654 1.271 10.615 1.00 0.00 N ATOM 38 CA SER A 5 -8.985 2.691 10.643 1.00 0.00 C ATOM 39 C SER A 5 -10.299 2.957 9.915 1.00 0.00 C ATOM 40 O SER A 5 -10.615 2.301 8.922 1.00 0.00 O ATOM 41 CB SER A 5 -7.861 3.511 10.007 1.00 0.00 C ATOM 42 OG SER A 5 -6.654 3.373 10.736 1.00 0.00 O ATOM 0 H SER A 5 -8.809 0.820 9.714 1.00 0.00 H new ATOM 0 HA SER A 5 -9.100 2.992 11.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.707 3.186 8.978 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.149 4.562 9.970 1.00 0.00 H new ATOM 0 HG SER A 5 -5.951 3.905 10.308 1.00 0.00 H new ATOM 48 N SER A 6 -11.061 3.924 10.416 1.00 0.00 N ATOM 49 CA SER A 6 -12.343 4.275 9.816 1.00 0.00 C ATOM 50 C SER A 6 -12.565 5.784 9.854 1.00 0.00 C ATOM 51 O SER A 6 -11.775 6.525 10.438 1.00 0.00 O ATOM 52 CB SER A 6 -13.483 3.561 10.544 1.00 0.00 C ATOM 53 OG SER A 6 -13.434 2.162 10.321 1.00 0.00 O ATOM 0 H SER A 6 -10.813 4.478 11.236 1.00 0.00 H new ATOM 0 HA SER A 6 -12.330 3.954 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.420 3.764 11.613 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.440 3.954 10.201 1.00 0.00 H new ATOM 0 HG SER A 6 -14.172 1.729 10.798 1.00 0.00 H new ATOM 59 N GLY A 7 -13.648 6.233 9.227 1.00 0.00 N ATOM 60 CA GLY A 7 -13.957 7.650 9.201 1.00 0.00 C ATOM 61 C GLY A 7 -13.234 8.381 8.087 1.00 0.00 C ATOM 62 O GLY A 7 -13.123 7.872 6.970 1.00 0.00 O ATOM 0 H GLY A 7 -14.317 5.640 8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.032 7.782 9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.687 8.095 10.159 1.00 0.00 H new ATOM 66 N LEU A 8 -12.741 9.577 8.388 1.00 0.00 N ATOM 67 CA LEU A 8 -12.025 10.380 7.403 1.00 0.00 C ATOM 68 C LEU A 8 -11.132 9.503 6.531 1.00 0.00 C ATOM 69 O LEU A 8 -10.282 8.771 7.037 1.00 0.00 O ATOM 70 CB LEU A 8 -11.184 11.450 8.101 1.00 0.00 C ATOM 71 CG LEU A 8 -10.248 10.954 9.203 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.049 11.880 9.341 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.992 10.842 10.526 1.00 0.00 C ATOM 0 H LEU A 8 -12.824 10.012 9.307 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.761 10.867 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.586 11.963 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.858 12.191 8.531 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.887 9.963 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.394 11.511 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.502 11.909 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.391 12.884 9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.309 10.487 11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.382 11.820 10.808 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.818 10.138 10.421 1.00 0.00 H new ATOM 85 N GLU A 9 -11.329 9.586 5.219 1.00 0.00 N ATOM 86 CA GLU A 9 -10.539 8.800 4.278 1.00 0.00 C ATOM 87 C GLU A 9 -10.537 9.448 2.896 1.00 0.00 C ATOM 88 O GLU A 9 -11.592 9.668 2.302 1.00 0.00 O ATOM 89 CB GLU A 9 -11.087 7.375 4.184 1.00 0.00 C ATOM 90 CG GLU A 9 -12.384 7.271 3.399 1.00 0.00 C ATOM 91 CD GLU A 9 -13.172 6.021 3.737 1.00 0.00 C ATOM 92 OE1 GLU A 9 -12.554 4.943 3.856 1.00 0.00 O ATOM 93 OE2 GLU A 9 -14.409 6.121 3.884 1.00 0.00 O ATOM 0 H GLU A 9 -12.028 10.189 4.784 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.513 8.764 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.337 6.737 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.250 6.990 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.998 8.149 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.160 7.277 2.332 1.00 0.00 H new ATOM 100 N GLU A 10 -9.345 9.752 2.393 1.00 0.00 N ATOM 101 CA GLU A 10 -9.206 10.376 1.082 1.00 0.00 C ATOM 102 C GLU A 10 -8.166 9.643 0.239 1.00 0.00 C ATOM 103 O GLU A 10 -8.353 9.443 -0.961 1.00 0.00 O ATOM 104 CB GLU A 10 -8.812 11.847 1.233 1.00 0.00 C ATOM 105 CG GLU A 10 -7.524 12.056 2.010 1.00 0.00 C ATOM 106 CD GLU A 10 -7.691 11.802 3.496 1.00 0.00 C ATOM 107 OE1 GLU A 10 -8.615 12.390 4.097 1.00 0.00 O ATOM 108 OE2 GLU A 10 -6.899 11.017 4.057 1.00 0.00 O ATOM 0 H GLU A 10 -8.462 9.577 2.873 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.169 10.315 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.704 12.289 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.619 12.381 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.755 11.392 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.173 13.077 1.857 1.00 0.00 H new ATOM 115 N VAL A 11 -7.068 9.247 0.876 1.00 0.00 N ATOM 116 CA VAL A 11 -5.998 8.537 0.185 1.00 0.00 C ATOM 117 C VAL A 11 -6.561 7.504 -0.784 1.00 0.00 C ATOM 118 O VAL A 11 -7.707 7.075 -0.653 1.00 0.00 O ATOM 119 CB VAL A 11 -5.059 7.832 1.181 1.00 0.00 C ATOM 120 CG1 VAL A 11 -4.301 8.854 2.016 1.00 0.00 C ATOM 121 CG2 VAL A 11 -5.844 6.881 2.072 1.00 0.00 C ATOM 0 H VAL A 11 -6.896 9.406 1.869 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.431 9.283 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.332 7.248 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.643 8.337 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.707 9.491 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.010 9.467 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.164 6.392 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.595 7.441 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.336 6.128 1.456 1.00 0.00 H new ATOM 131 N GLN A 12 -5.746 7.108 -1.757 1.00 0.00 N ATOM 132 CA GLN A 12 -6.163 6.124 -2.749 1.00 0.00 C ATOM 133 C GLN A 12 -5.254 4.901 -2.719 1.00 0.00 C ATOM 134 O GLN A 12 -4.391 4.733 -3.582 1.00 0.00 O ATOM 135 CB GLN A 12 -6.156 6.745 -4.147 1.00 0.00 C ATOM 136 CG GLN A 12 -7.113 6.069 -5.117 1.00 0.00 C ATOM 137 CD GLN A 12 -8.496 6.689 -5.100 1.00 0.00 C ATOM 138 OE1 GLN A 12 -9.071 6.923 -4.036 1.00 0.00 O ATOM 139 NE2 GLN A 12 -9.039 6.959 -6.281 1.00 0.00 N ATOM 0 H GLN A 12 -4.794 7.453 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.177 5.806 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.417 7.800 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.145 6.696 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.704 6.129 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.190 5.011 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.527 6.749 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.968 7.377 -6.332 1.00 0.00 H new ATOM 148 N LEU A 13 -5.451 4.048 -1.719 1.00 0.00 N ATOM 149 CA LEU A 13 -4.647 2.839 -1.575 1.00 0.00 C ATOM 150 C LEU A 13 -5.418 1.613 -2.056 1.00 0.00 C ATOM 151 O LEU A 13 -6.176 1.007 -1.298 1.00 0.00 O ATOM 152 CB LEU A 13 -4.228 2.652 -0.116 1.00 0.00 C ATOM 153 CG LEU A 13 -3.518 1.339 0.215 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.114 1.328 -0.369 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.473 1.122 1.721 1.00 0.00 C ATOM 0 H LEU A 13 -6.160 4.171 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.755 2.950 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.572 3.477 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.118 2.729 0.509 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.082 0.521 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.625 0.386 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.170 1.436 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.540 2.155 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.964 0.183 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.933 1.944 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.489 1.083 2.114 1.00 0.00 H new ATOM 167 N VAL A 14 -5.217 1.251 -3.319 1.00 0.00 N ATOM 168 CA VAL A 14 -5.890 0.096 -3.900 1.00 0.00 C ATOM 169 C VAL A 14 -4.954 -1.105 -3.974 1.00 0.00 C ATOM 170 O VAL A 14 -4.145 -1.220 -4.895 1.00 0.00 O ATOM 171 CB VAL A 14 -6.421 0.407 -5.312 1.00 0.00 C ATOM 172 CG1 VAL A 14 -7.062 -0.828 -5.925 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.408 1.563 -5.267 1.00 0.00 C ATOM 0 H VAL A 14 -4.593 1.742 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.731 -0.142 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.581 0.701 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.431 -0.589 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.323 -1.626 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.892 -1.156 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.773 1.769 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.247 1.300 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.912 2.450 -4.872 1.00 0.00 H new ATOM 183 N VAL A 15 -5.070 -2.000 -2.998 1.00 0.00 N ATOM 184 CA VAL A 15 -4.235 -3.194 -2.952 1.00 0.00 C ATOM 185 C VAL A 15 -4.761 -4.268 -3.898 1.00 0.00 C ATOM 186 O VAL A 15 -5.971 -4.431 -4.056 1.00 0.00 O ATOM 187 CB VAL A 15 -4.161 -3.773 -1.527 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.153 -4.911 -1.465 1.00 0.00 C ATOM 189 CG2 VAL A 15 -3.807 -2.682 -0.527 1.00 0.00 C ATOM 0 H VAL A 15 -5.735 -1.920 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.235 -2.894 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.141 -4.172 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.114 -5.308 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.454 -5.701 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.168 -4.540 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.759 -3.108 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.839 -2.252 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.569 -1.903 -0.554 1.00 0.00 H new ATOM 199 N GLU A 16 -3.844 -4.999 -4.524 1.00 0.00 N ATOM 200 CA GLU A 16 -4.216 -6.057 -5.455 1.00 0.00 C ATOM 201 C GLU A 16 -3.540 -7.373 -5.081 1.00 0.00 C ATOM 202 O GLU A 16 -2.336 -7.555 -5.261 1.00 0.00 O ATOM 203 CB GLU A 16 -3.838 -5.666 -6.885 1.00 0.00 C ATOM 204 CG GLU A 16 -4.747 -4.608 -7.487 1.00 0.00 C ATOM 205 CD GLU A 16 -6.038 -5.189 -8.030 1.00 0.00 C ATOM 206 OE1 GLU A 16 -6.049 -5.619 -9.203 1.00 0.00 O ATOM 207 OE2 GLU A 16 -7.038 -5.214 -7.282 1.00 0.00 O ATOM 0 H GLU A 16 -2.838 -4.878 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.296 -6.193 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.812 -5.299 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.863 -6.555 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.980 -3.860 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.218 -4.094 -8.290 1.00 0.00 H new ATOM 214 N PRO A 17 -4.333 -8.314 -4.546 1.00 0.00 N ATOM 215 CA PRO A 17 -5.767 -8.109 -4.326 1.00 0.00 C ATOM 216 C PRO A 17 -6.045 -7.103 -3.214 1.00 0.00 C ATOM 217 O PRO A 17 -5.166 -6.795 -2.410 1.00 0.00 O ATOM 218 CB PRO A 17 -6.267 -9.499 -3.927 1.00 0.00 C ATOM 219 CG PRO A 17 -5.073 -10.182 -3.355 1.00 0.00 C ATOM 220 CD PRO A 17 -3.889 -9.650 -4.115 1.00 0.00 C ATOM 0 HA PRO A 17 -6.260 -7.701 -5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.074 -9.435 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.658 -10.041 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.978 -9.975 -2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.153 -11.264 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.000 -9.595 -3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.639 -10.284 -4.966 1.00 0.00 H new ATOM 228 N GLU A 18 -7.273 -6.596 -3.175 1.00 0.00 N ATOM 229 CA GLU A 18 -7.665 -5.624 -2.160 1.00 0.00 C ATOM 230 C GLU A 18 -7.818 -6.293 -0.797 1.00 0.00 C ATOM 231 O GLU A 18 -7.722 -5.640 0.241 1.00 0.00 O ATOM 232 CB GLU A 18 -8.977 -4.942 -2.555 1.00 0.00 C ATOM 233 CG GLU A 18 -10.094 -5.917 -2.886 1.00 0.00 C ATOM 234 CD GLU A 18 -11.446 -5.239 -2.996 1.00 0.00 C ATOM 235 OE1 GLU A 18 -11.722 -4.631 -4.051 1.00 0.00 O ATOM 236 OE2 GLU A 18 -12.229 -5.317 -2.026 1.00 0.00 O ATOM 0 H GLU A 18 -8.013 -6.841 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.879 -4.872 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.300 -4.295 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.798 -4.301 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.866 -6.419 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.139 -6.687 -2.116 1.00 0.00 H new ATOM 243 N GLY A 19 -8.056 -7.601 -0.809 1.00 0.00 N ATOM 244 CA GLY A 19 -8.219 -8.337 0.431 1.00 0.00 C ATOM 245 C GLY A 19 -6.983 -8.277 1.307 1.00 0.00 C ATOM 246 O GLY A 19 -7.080 -8.319 2.533 1.00 0.00 O ATOM 0 H GLY A 19 -8.139 -8.164 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.070 -7.934 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.450 -9.378 0.205 1.00 0.00 H new ATOM 250 N GLY A 20 -5.816 -8.180 0.677 1.00 0.00 N ATOM 251 CA GLY A 20 -4.573 -8.118 1.423 1.00 0.00 C ATOM 252 C GLY A 20 -4.072 -9.490 1.829 1.00 0.00 C ATOM 253 O GLY A 20 -3.278 -9.617 2.761 1.00 0.00 O ATOM 0 H GLY A 20 -5.710 -8.143 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.814 -7.622 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.718 -7.509 2.315 1.00 0.00 H new ATOM 257 N ALA A 21 -4.537 -10.519 1.129 1.00 0.00 N ATOM 258 CA ALA A 21 -4.131 -11.888 1.422 1.00 0.00 C ATOM 259 C ALA A 21 -3.871 -12.670 0.139 1.00 0.00 C ATOM 260 O ALA A 21 -4.663 -12.619 -0.802 1.00 0.00 O ATOM 261 CB ALA A 21 -5.191 -12.585 2.262 1.00 0.00 C ATOM 0 H ALA A 21 -5.195 -10.431 0.355 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.201 -11.851 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.874 -13.606 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.325 -12.046 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.134 -12.603 1.716 1.00 0.00 H new ATOM 267 N VAL A 22 -2.757 -13.394 0.108 1.00 0.00 N ATOM 268 CA VAL A 22 -2.393 -14.188 -1.060 1.00 0.00 C ATOM 269 C VAL A 22 -1.571 -15.409 -0.660 1.00 0.00 C ATOM 270 O VAL A 22 -0.973 -15.442 0.414 1.00 0.00 O ATOM 271 CB VAL A 22 -1.592 -13.354 -2.077 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.432 -12.200 -2.601 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.302 -12.845 -1.451 1.00 0.00 C ATOM 0 H VAL A 22 -2.091 -13.447 0.878 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.324 -14.516 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.331 -13.994 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.849 -11.622 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.324 -12.592 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.726 -11.558 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.251 -12.258 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.537 -12.221 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.306 -13.691 -1.131 1.00 0.00 H new ATOM 283 N ALA A 23 -1.547 -16.410 -1.534 1.00 0.00 N ATOM 284 CA ALA A 23 -0.797 -17.632 -1.274 1.00 0.00 C ATOM 285 C ALA A 23 0.688 -17.337 -1.089 1.00 0.00 C ATOM 286 O ALA A 23 1.193 -16.292 -1.500 1.00 0.00 O ATOM 287 CB ALA A 23 -1.002 -18.629 -2.405 1.00 0.00 C ATOM 0 H ALA A 23 -2.038 -16.398 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.172 -18.068 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.436 -19.537 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.061 -18.873 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.656 -18.192 -3.342 1.00 0.00 H new ATOM 293 N PRO A 24 1.405 -18.277 -0.456 1.00 0.00 N ATOM 294 CA PRO A 24 2.842 -18.139 -0.203 1.00 0.00 C ATOM 295 C PRO A 24 3.668 -18.231 -1.481 1.00 0.00 C ATOM 296 O PRO A 24 4.103 -19.312 -1.875 1.00 0.00 O ATOM 297 CB PRO A 24 3.154 -19.318 0.721 1.00 0.00 C ATOM 298 CG PRO A 24 2.103 -20.329 0.414 1.00 0.00 C ATOM 299 CD PRO A 24 0.868 -19.547 0.061 1.00 0.00 C ATOM 0 HA PRO A 24 3.089 -17.167 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.152 -19.715 0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.122 -19.019 1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.408 -20.971 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.923 -20.977 1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.266 -20.063 -0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.230 -19.389 0.931 1.00 0.00 H new ATOM 307 N GLY A 25 3.880 -17.088 -2.127 1.00 0.00 N ATOM 308 CA GLY A 25 4.654 -17.062 -3.355 1.00 0.00 C ATOM 309 C GLY A 25 3.923 -16.366 -4.486 1.00 0.00 C ATOM 310 O GLY A 25 4.193 -16.620 -5.658 1.00 0.00 O ATOM 0 H GLY A 25 3.530 -16.180 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.602 -16.555 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.891 -18.083 -3.653 1.00 0.00 H new ATOM 314 N GLY A 26 2.992 -15.484 -4.133 1.00 0.00 N ATOM 315 CA GLY A 26 2.233 -14.764 -5.139 1.00 0.00 C ATOM 316 C GLY A 26 2.795 -13.383 -5.411 1.00 0.00 C ATOM 317 O GLY A 26 3.976 -13.127 -5.174 1.00 0.00 O ATOM 0 H GLY A 26 2.750 -15.256 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.226 -15.339 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.197 -14.673 -4.812 1.00 0.00 H new ATOM 321 N THR A 27 1.949 -12.489 -5.913 1.00 0.00 N ATOM 322 CA THR A 27 2.368 -11.128 -6.221 1.00 0.00 C ATOM 323 C THR A 27 1.273 -10.125 -5.878 1.00 0.00 C ATOM 324 O THR A 27 0.165 -10.194 -6.411 1.00 0.00 O ATOM 325 CB THR A 27 2.740 -10.977 -7.708 1.00 0.00 C ATOM 326 OG1 THR A 27 3.554 -12.080 -8.123 1.00 0.00 O ATOM 327 CG2 THR A 27 3.482 -9.672 -7.951 1.00 0.00 C ATOM 0 H THR A 27 0.968 -12.684 -6.115 1.00 0.00 H new ATOM 0 HA THR A 27 3.248 -10.923 -5.612 1.00 0.00 H new ATOM 0 HB THR A 27 1.819 -10.966 -8.291 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.785 -11.978 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.734 -9.588 -9.008 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.848 -8.834 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.396 -9.657 -7.358 1.00 0.00 H new ATOM 335 N VAL A 28 1.589 -9.191 -4.986 1.00 0.00 N ATOM 336 CA VAL A 28 0.632 -8.172 -4.574 1.00 0.00 C ATOM 337 C VAL A 28 1.075 -6.786 -5.029 1.00 0.00 C ATOM 338 O VAL A 28 2.209 -6.372 -4.785 1.00 0.00 O ATOM 339 CB VAL A 28 0.445 -8.162 -3.045 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.462 -7.016 -2.625 1.00 0.00 C ATOM 341 CG2 VAL A 28 -0.111 -9.496 -2.569 1.00 0.00 C ATOM 0 H VAL A 28 2.501 -9.120 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.318 -8.421 -5.047 1.00 0.00 H new ATOM 0 HB VAL A 28 1.418 -8.012 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.582 -7.025 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.018 -6.069 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.437 -7.131 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.237 -9.472 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.076 -9.678 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.581 -10.295 -2.836 1.00 0.00 H new ATOM 351 N THR A 29 0.172 -6.070 -5.693 1.00 0.00 N ATOM 352 CA THR A 29 0.469 -4.730 -6.183 1.00 0.00 C ATOM 353 C THR A 29 -0.320 -3.676 -5.416 1.00 0.00 C ATOM 354 O THR A 29 -1.551 -3.655 -5.457 1.00 0.00 O ATOM 355 CB THR A 29 0.153 -4.599 -7.685 1.00 0.00 C ATOM 356 OG1 THR A 29 0.902 -5.567 -8.430 1.00 0.00 O ATOM 357 CG2 THR A 29 0.482 -3.201 -8.187 1.00 0.00 C ATOM 0 H THR A 29 -0.771 -6.396 -5.903 1.00 0.00 H new ATOM 0 HA THR A 29 1.535 -4.566 -6.027 1.00 0.00 H new ATOM 0 HB THR A 29 -0.913 -4.778 -7.826 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.694 -5.478 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.251 -3.132 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.111 -2.469 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.542 -2.999 -8.033 1.00 0.00 H new ATOM 365 N LEU A 30 0.395 -2.802 -4.716 1.00 0.00 N ATOM 366 CA LEU A 30 -0.239 -1.743 -3.939 1.00 0.00 C ATOM 367 C LEU A 30 -0.074 -0.390 -4.625 1.00 0.00 C ATOM 368 O LEU A 30 1.039 0.117 -4.762 1.00 0.00 O ATOM 369 CB LEU A 30 0.357 -1.690 -2.531 1.00 0.00 C ATOM 370 CG LEU A 30 0.057 -2.888 -1.630 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.141 -3.946 -1.771 1.00 0.00 C ATOM 372 CD2 LEU A 30 -0.072 -2.446 -0.180 1.00 0.00 C ATOM 0 H LEU A 30 1.414 -2.806 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.304 -1.966 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.439 -1.589 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.008 -0.789 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.892 -3.324 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.911 -4.791 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.187 -4.285 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.103 -3.521 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.286 -3.312 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.861 -1.985 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.884 -1.724 -0.090 1.00 0.00 H new ATOM 384 N THR A 31 -1.191 0.191 -5.052 1.00 0.00 N ATOM 385 CA THR A 31 -1.171 1.485 -5.723 1.00 0.00 C ATOM 386 C THR A 31 -1.489 2.614 -4.749 1.00 0.00 C ATOM 387 O THR A 31 -2.324 2.461 -3.857 1.00 0.00 O ATOM 388 CB THR A 31 -2.176 1.529 -6.889 1.00 0.00 C ATOM 389 OG1 THR A 31 -2.043 0.353 -7.695 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.955 2.766 -7.747 1.00 0.00 C ATOM 0 H THR A 31 -2.121 -0.214 -4.945 1.00 0.00 H new ATOM 0 HA THR A 31 -0.164 1.622 -6.117 1.00 0.00 H new ATOM 0 HB THR A 31 -3.182 1.571 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.687 0.388 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.676 2.776 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.086 3.660 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.944 2.750 -8.155 1.00 0.00 H new ATOM 398 N CYS A 32 -0.819 3.748 -4.925 1.00 0.00 N ATOM 399 CA CYS A 32 -1.031 4.904 -4.062 1.00 0.00 C ATOM 400 C CYS A 32 -0.943 6.201 -4.860 1.00 0.00 C ATOM 401 O CYS A 32 0.098 6.518 -5.436 1.00 0.00 O ATOM 402 CB CYS A 32 -0.001 4.917 -2.931 1.00 0.00 C ATOM 403 SG CYS A 32 -0.270 6.229 -1.696 1.00 0.00 S ATOM 0 H CYS A 32 -0.124 3.891 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.030 4.829 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.017 3.950 -2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.994 5.036 -3.361 1.00 0.00 H new ATOM 408 N GLU A 33 -2.042 6.948 -4.888 1.00 0.00 N ATOM 409 CA GLU A 33 -2.089 8.211 -5.616 1.00 0.00 C ATOM 410 C GLU A 33 -2.802 9.284 -4.798 1.00 0.00 C ATOM 411 O GLU A 33 -3.653 8.980 -3.961 1.00 0.00 O ATOM 412 CB GLU A 33 -2.795 8.025 -6.960 1.00 0.00 C ATOM 413 CG GLU A 33 -2.015 7.169 -7.944 1.00 0.00 C ATOM 414 CD GLU A 33 -2.575 7.240 -9.351 1.00 0.00 C ATOM 415 OE1 GLU A 33 -3.802 7.071 -9.510 1.00 0.00 O ATOM 416 OE2 GLU A 33 -1.787 7.464 -10.293 1.00 0.00 O ATOM 0 H GLU A 33 -2.911 6.701 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.064 8.536 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.770 7.569 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.974 9.004 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.974 7.492 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.024 6.133 -7.605 1.00 0.00 H new ATOM 423 N VAL A 34 -2.450 10.541 -5.047 1.00 0.00 N ATOM 424 CA VAL A 34 -3.056 11.660 -4.335 1.00 0.00 C ATOM 425 C VAL A 34 -3.801 12.582 -5.294 1.00 0.00 C ATOM 426 O VAL A 34 -3.281 12.988 -6.334 1.00 0.00 O ATOM 427 CB VAL A 34 -1.998 12.478 -3.571 1.00 0.00 C ATOM 428 CG1 VAL A 34 -2.664 13.545 -2.715 1.00 0.00 C ATOM 429 CG2 VAL A 34 -1.132 11.564 -2.718 1.00 0.00 C ATOM 0 H VAL A 34 -1.748 10.810 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.762 11.236 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.356 12.976 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.901 14.113 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.238 14.217 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.331 13.070 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.390 12.159 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.758 11.036 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.626 10.841 -3.358 1.00 0.00 H new ATOM 439 N PRO A 35 -5.048 12.923 -4.938 1.00 0.00 N ATOM 440 CA PRO A 35 -5.891 13.803 -5.752 1.00 0.00 C ATOM 441 C PRO A 35 -5.393 15.244 -5.755 1.00 0.00 C ATOM 442 O PRO A 35 -5.475 15.937 -6.769 1.00 0.00 O ATOM 443 CB PRO A 35 -7.260 13.712 -5.073 1.00 0.00 C ATOM 444 CG PRO A 35 -6.958 13.345 -3.661 1.00 0.00 C ATOM 445 CD PRO A 35 -5.731 12.477 -3.712 1.00 0.00 C ATOM 0 HA PRO A 35 -5.899 13.503 -6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.794 14.660 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.890 12.962 -5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.782 14.234 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.794 12.812 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.105 12.614 -2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.989 11.419 -3.758 1.00 0.00 H new ATOM 453 N ALA A 36 -4.877 15.689 -4.614 1.00 0.00 N ATOM 454 CA ALA A 36 -4.363 17.047 -4.486 1.00 0.00 C ATOM 455 C ALA A 36 -2.948 17.154 -5.046 1.00 0.00 C ATOM 456 O ALA A 36 -2.475 18.247 -5.357 1.00 0.00 O ATOM 457 CB ALA A 36 -4.392 17.487 -3.030 1.00 0.00 C ATOM 0 H ALA A 36 -4.804 15.129 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.006 17.709 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.005 18.503 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.417 17.459 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.774 16.815 -2.434 1.00 0.00 H new ATOM 463 N GLN A 37 -2.278 16.013 -5.170 1.00 0.00 N ATOM 464 CA GLN A 37 -0.917 15.980 -5.690 1.00 0.00 C ATOM 465 C GLN A 37 -0.818 15.054 -6.898 1.00 0.00 C ATOM 466 O GLN A 37 -1.131 13.865 -6.828 1.00 0.00 O ATOM 467 CB GLN A 37 0.057 15.523 -4.602 1.00 0.00 C ATOM 468 CG GLN A 37 0.399 16.610 -3.597 1.00 0.00 C ATOM 469 CD GLN A 37 1.225 17.727 -4.204 1.00 0.00 C ATOM 470 OE1 GLN A 37 0.792 18.879 -4.251 1.00 0.00 O ATOM 471 NE2 GLN A 37 2.421 17.392 -4.674 1.00 0.00 N ATOM 0 H GLN A 37 -2.656 15.100 -4.917 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.651 16.989 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.375 14.673 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.976 15.172 -5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.523 17.025 -3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.947 16.170 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.740 16.425 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.021 18.102 -5.095 1.00 0.00 H new ATOM 480 N PRO A 38 -0.374 15.610 -8.036 1.00 0.00 N ATOM 481 CA PRO A 38 -0.224 14.852 -9.281 1.00 0.00 C ATOM 482 C PRO A 38 0.918 13.844 -9.213 1.00 0.00 C ATOM 483 O PRO A 38 0.738 12.665 -9.519 1.00 0.00 O ATOM 484 CB PRO A 38 0.079 15.934 -10.321 1.00 0.00 C ATOM 485 CG PRO A 38 0.683 17.050 -9.540 1.00 0.00 C ATOM 486 CD PRO A 38 0.017 17.021 -8.192 1.00 0.00 C ATOM 0 HA PRO A 38 -1.111 14.261 -9.507 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.765 15.568 -11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.827 16.255 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.761 16.921 -9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.519 18.007 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.696 17.340 -7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.847 17.684 -8.156 1.00 0.00 H new ATOM 494 N SER A 39 2.094 14.315 -8.809 1.00 0.00 N ATOM 495 CA SER A 39 3.266 13.455 -8.703 1.00 0.00 C ATOM 496 C SER A 39 4.008 13.706 -7.394 1.00 0.00 C ATOM 497 O SER A 39 5.167 14.122 -7.377 1.00 0.00 O ATOM 498 CB SER A 39 4.205 13.690 -9.888 1.00 0.00 C ATOM 499 OG SER A 39 3.656 13.167 -11.085 1.00 0.00 O ATOM 0 H SER A 39 2.260 15.288 -8.550 1.00 0.00 H new ATOM 0 HA SER A 39 2.928 12.419 -8.715 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.388 14.758 -10.005 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.169 13.221 -9.691 1.00 0.00 H new ATOM 0 HG SER A 39 4.274 13.331 -11.828 1.00 0.00 H new ATOM 505 N PRO A 40 3.325 13.449 -6.269 1.00 0.00 N ATOM 506 CA PRO A 40 3.899 13.640 -4.933 1.00 0.00 C ATOM 507 C PRO A 40 4.989 12.621 -4.620 1.00 0.00 C ATOM 508 O PRO A 40 5.352 11.806 -5.468 1.00 0.00 O ATOM 509 CB PRO A 40 2.700 13.443 -4.001 1.00 0.00 C ATOM 510 CG PRO A 40 1.762 12.577 -4.768 1.00 0.00 C ATOM 511 CD PRO A 40 1.940 12.952 -6.214 1.00 0.00 C ATOM 0 HA PRO A 40 4.381 14.612 -4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.999 12.971 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.238 14.396 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.986 11.522 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.733 12.737 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.794 12.096 -6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.226 13.716 -6.522 1.00 0.00 H new ATOM 519 N GLN A 41 5.508 12.673 -3.397 1.00 0.00 N ATOM 520 CA GLN A 41 6.558 11.754 -2.974 1.00 0.00 C ATOM 521 C GLN A 41 5.961 10.501 -2.340 1.00 0.00 C ATOM 522 O GLN A 41 5.639 10.488 -1.152 1.00 0.00 O ATOM 523 CB GLN A 41 7.498 12.442 -1.983 1.00 0.00 C ATOM 524 CG GLN A 41 8.667 13.152 -2.647 1.00 0.00 C ATOM 525 CD GLN A 41 8.333 14.574 -3.052 1.00 0.00 C ATOM 526 OE1 GLN A 41 7.388 14.811 -3.805 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.109 15.529 -2.554 1.00 0.00 N ATOM 0 H GLN A 41 5.219 13.341 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 41 7.125 11.458 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.930 13.165 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.884 11.699 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.516 13.163 -1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.975 12.590 -3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.881 15.287 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.933 16.505 -2.792 1.00 0.00 H new ATOM 536 N ILE A 42 5.817 9.451 -3.141 1.00 0.00 N ATOM 537 CA ILE A 42 5.260 8.193 -2.658 1.00 0.00 C ATOM 538 C ILE A 42 6.304 7.388 -1.892 1.00 0.00 C ATOM 539 O ILE A 42 7.382 7.097 -2.410 1.00 0.00 O ATOM 540 CB ILE A 42 4.716 7.337 -3.817 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.923 8.207 -4.795 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.847 6.209 -3.279 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.592 8.673 -4.247 1.00 0.00 C ATOM 0 H ILE A 42 6.078 9.446 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 42 4.438 8.448 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 42 5.558 6.898 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.522 9.078 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.752 7.644 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.470 5.613 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.440 5.577 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.008 6.629 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.085 9.284 -4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.974 7.808 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.756 9.263 -3.346 1.00 0.00 H new ATOM 555 N HIS A 43 5.975 7.028 -0.655 1.00 0.00 N ATOM 556 CA HIS A 43 6.884 6.254 0.182 1.00 0.00 C ATOM 557 C HIS A 43 6.199 4.994 0.706 1.00 0.00 C ATOM 558 O HIS A 43 4.974 4.938 0.803 1.00 0.00 O ATOM 559 CB HIS A 43 7.380 7.102 1.353 1.00 0.00 C ATOM 560 CG HIS A 43 8.468 8.062 0.979 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.220 9.332 0.504 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.815 7.930 1.013 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.367 9.941 0.261 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.350 9.111 0.562 1.00 0.00 N ATOM 0 H HIS A 43 5.086 7.260 -0.211 1.00 0.00 H new ATOM 0 HA HIS A 43 7.737 5.957 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.541 7.660 1.768 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.744 6.442 2.140 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.295 9.738 0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.366 7.058 1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.482 10.946 -0.119 1.00 0.00 H new ATOM 573 N TRP A 44 6.999 3.988 1.040 1.00 0.00 N ATOM 574 CA TRP A 44 6.470 2.730 1.553 1.00 0.00 C ATOM 575 C TRP A 44 7.096 2.384 2.899 1.00 0.00 C ATOM 576 O TRP A 44 8.311 2.214 3.004 1.00 0.00 O ATOM 577 CB TRP A 44 6.724 1.601 0.553 1.00 0.00 C ATOM 578 CG TRP A 44 5.975 1.767 -0.734 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.501 2.088 -1.953 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.564 1.624 -0.929 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.502 2.152 -2.894 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.304 1.870 -2.292 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.495 1.308 -0.086 1.00 0.00 C ATOM 584 CZ2 TRP A 44 3.020 1.813 -2.827 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.221 1.252 -0.619 1.00 0.00 C ATOM 586 CH2 TRP A 44 1.992 1.502 -1.978 1.00 0.00 C ATOM 0 H TRP A 44 8.016 4.019 0.965 1.00 0.00 H new ATOM 0 HA TRP A 44 5.395 2.847 1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.792 1.548 0.339 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.443 0.652 1.009 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.548 2.265 -2.148 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.631 2.374 -3.881 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.661 1.111 0.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.841 2.007 -3.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.387 1.011 0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.985 1.448 -2.364 1.00 0.00 H new ATOM 597 N MET A 45 6.260 2.280 3.927 1.00 0.00 N ATOM 598 CA MET A 45 6.734 1.952 5.267 1.00 0.00 C ATOM 599 C MET A 45 6.079 0.673 5.777 1.00 0.00 C ATOM 600 O MET A 45 4.930 0.377 5.448 1.00 0.00 O ATOM 601 CB MET A 45 6.445 3.106 6.229 1.00 0.00 C ATOM 602 CG MET A 45 7.013 4.439 5.768 1.00 0.00 C ATOM 603 SD MET A 45 6.760 5.756 6.974 1.00 0.00 S ATOM 604 CE MET A 45 7.828 5.208 8.303 1.00 0.00 C ATOM 0 H MET A 45 5.252 2.418 3.858 1.00 0.00 H new ATOM 0 HA MET A 45 7.811 1.792 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.366 3.203 6.353 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.858 2.864 7.208 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.080 4.328 5.576 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.547 4.721 4.824 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.317 6.070 8.756 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.235 4.690 9.057 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.583 4.529 7.907 1.00 0.00 H new ATOM 614 N LYS A 46 6.817 -0.083 6.583 1.00 0.00 N ATOM 615 CA LYS A 46 6.308 -1.331 7.140 1.00 0.00 C ATOM 616 C LYS A 46 6.429 -1.337 8.661 1.00 0.00 C ATOM 617 O LYS A 46 7.533 -1.342 9.205 1.00 0.00 O ATOM 618 CB LYS A 46 7.068 -2.523 6.553 1.00 0.00 C ATOM 619 CG LYS A 46 6.731 -3.846 7.218 1.00 0.00 C ATOM 620 CD LYS A 46 7.254 -5.024 6.413 1.00 0.00 C ATOM 621 CE LYS A 46 7.066 -6.336 7.159 1.00 0.00 C ATOM 622 NZ LYS A 46 7.981 -6.446 8.328 1.00 0.00 N ATOM 0 H LYS A 46 7.770 0.147 6.865 1.00 0.00 H new ATOM 0 HA LYS A 46 5.254 -1.414 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.848 -2.595 5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.139 -2.342 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.159 -3.870 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.650 -3.933 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.735 -5.071 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.312 -4.876 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.033 -6.416 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.244 -7.169 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.971 -7.422 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.947 -6.194 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.665 -5.799 9.078 1.00 0.00 H new ATOM 636 N ASP A 47 5.288 -1.339 9.340 1.00 0.00 N ATOM 637 CA ASP A 47 5.266 -1.347 10.798 1.00 0.00 C ATOM 638 C ASP A 47 5.881 -0.068 11.358 1.00 0.00 C ATOM 639 O ASP A 47 6.511 -0.081 12.415 1.00 0.00 O ATOM 640 CB ASP A 47 6.019 -2.566 11.334 1.00 0.00 C ATOM 641 CG ASP A 47 5.389 -3.874 10.897 1.00 0.00 C ATOM 642 OD1 ASP A 47 5.705 -4.341 9.783 1.00 0.00 O ATOM 643 OD2 ASP A 47 4.578 -4.429 11.668 1.00 0.00 O ATOM 0 H ASP A 47 4.366 -1.335 8.904 1.00 0.00 H new ATOM 0 HA ASP A 47 4.226 -1.401 11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.053 -2.531 10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.044 -2.524 12.423 1.00 0.00 H new ATOM 648 N GLY A 48 5.693 1.036 10.641 1.00 0.00 N ATOM 649 CA GLY A 48 6.236 2.308 11.082 1.00 0.00 C ATOM 650 C GLY A 48 7.728 2.417 10.838 1.00 0.00 C ATOM 651 O GLY A 48 8.440 3.085 11.589 1.00 0.00 O ATOM 0 H GLY A 48 5.175 1.072 9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.726 3.118 10.561 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.034 2.437 12.145 1.00 0.00 H new ATOM 655 N VAL A 49 8.204 1.757 9.787 1.00 0.00 N ATOM 656 CA VAL A 49 9.622 1.782 9.447 1.00 0.00 C ATOM 657 C VAL A 49 9.824 1.868 7.938 1.00 0.00 C ATOM 658 O VAL A 49 9.238 1.110 7.164 1.00 0.00 O ATOM 659 CB VAL A 49 10.349 0.534 9.981 1.00 0.00 C ATOM 660 CG1 VAL A 49 11.793 0.512 9.503 1.00 0.00 C ATOM 661 CG2 VAL A 49 10.281 0.487 11.500 1.00 0.00 C ATOM 0 H VAL A 49 7.629 1.199 9.156 1.00 0.00 H new ATOM 0 HA VAL A 49 10.045 2.669 9.918 1.00 0.00 H new ATOM 0 HB VAL A 49 9.848 -0.352 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.291 -0.377 9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.815 0.495 8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.309 1.402 9.862 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.800 -0.401 11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.756 1.377 11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.239 0.452 11.817 1.00 0.00 H new ATOM 671 N PRO A 50 10.673 2.813 7.508 1.00 0.00 N ATOM 672 CA PRO A 50 10.973 3.020 6.088 1.00 0.00 C ATOM 673 C PRO A 50 11.790 1.877 5.495 1.00 0.00 C ATOM 674 O PRO A 50 12.843 1.514 6.022 1.00 0.00 O ATOM 675 CB PRO A 50 11.786 4.317 6.083 1.00 0.00 C ATOM 676 CG PRO A 50 12.398 4.386 7.439 1.00 0.00 C ATOM 677 CD PRO A 50 11.406 3.751 8.374 1.00 0.00 C ATOM 0 HA PRO A 50 10.068 3.066 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.549 4.303 5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.151 5.182 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.351 3.858 7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.598 5.419 7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.902 3.235 9.196 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.741 4.492 8.818 1.00 0.00 H new ATOM 685 N LEU A 51 11.300 1.313 4.397 1.00 0.00 N ATOM 686 CA LEU A 51 11.985 0.210 3.732 1.00 0.00 C ATOM 687 C LEU A 51 12.777 0.709 2.527 1.00 0.00 C ATOM 688 O LEU A 51 12.360 1.621 1.813 1.00 0.00 O ATOM 689 CB LEU A 51 10.976 -0.851 3.290 1.00 0.00 C ATOM 690 CG LEU A 51 10.002 -1.340 4.362 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.681 -1.756 3.734 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.608 -2.494 5.147 1.00 0.00 C ATOM 0 H LEU A 51 10.431 1.601 3.948 1.00 0.00 H new ATOM 0 HA LEU A 51 12.682 -0.234 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.397 -0.449 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.527 -1.711 2.909 1.00 0.00 H new ATOM 0 HG LEU A 51 9.810 -0.519 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.001 -2.101 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.239 -0.904 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.855 -2.562 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.901 -2.829 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.831 -3.318 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.528 -2.163 5.629 1.00 0.00 H new ATOM 704 N PRO A 52 13.947 0.096 2.293 1.00 0.00 N ATOM 705 CA PRO A 52 14.820 0.459 1.173 1.00 0.00 C ATOM 706 C PRO A 52 14.230 0.061 -0.175 1.00 0.00 C ATOM 707 O PRO A 52 14.461 -1.046 -0.663 1.00 0.00 O ATOM 708 CB PRO A 52 16.101 -0.333 1.451 1.00 0.00 C ATOM 709 CG PRO A 52 15.657 -1.494 2.271 1.00 0.00 C ATOM 710 CD PRO A 52 14.507 -0.999 3.103 1.00 0.00 C ATOM 0 HA PRO A 52 14.974 1.536 1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.573 -0.660 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.833 0.273 1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.350 -2.325 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.467 -1.858 2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.772 -1.784 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.840 -0.647 4.080 1.00 0.00 H new ATOM 718 N LEU A 53 13.468 0.970 -0.773 1.00 0.00 N ATOM 719 CA LEU A 53 12.844 0.714 -2.067 1.00 0.00 C ATOM 720 C LEU A 53 12.621 2.015 -2.831 1.00 0.00 C ATOM 721 O LEU A 53 12.504 3.094 -2.248 1.00 0.00 O ATOM 722 CB LEU A 53 11.512 -0.014 -1.878 1.00 0.00 C ATOM 723 CG LEU A 53 11.602 -1.458 -1.381 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.251 -1.928 -0.863 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.098 -2.374 -2.490 1.00 0.00 C ATOM 0 H LEU A 53 13.267 1.891 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 53 13.517 0.083 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.906 0.555 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.980 -0.011 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 53 12.317 -1.496 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.333 -2.957 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.935 -1.289 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.515 -1.875 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.156 -3.397 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.408 -2.332 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.087 -2.050 -2.815 1.00 0.00 H new ATOM 737 N PRO A 54 12.559 1.914 -4.167 1.00 0.00 N ATOM 738 CA PRO A 54 12.346 3.073 -5.040 1.00 0.00 C ATOM 739 C PRO A 54 10.936 3.639 -4.919 1.00 0.00 C ATOM 740 O PRO A 54 9.949 2.905 -4.867 1.00 0.00 O ATOM 741 CB PRO A 54 12.577 2.507 -6.443 1.00 0.00 C ATOM 742 CG PRO A 54 12.275 1.054 -6.320 1.00 0.00 C ATOM 743 CD PRO A 54 12.690 0.661 -4.929 1.00 0.00 C ATOM 0 HA PRO A 54 13.007 3.902 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.927 2.986 -7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.603 2.672 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.214 0.861 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.820 0.477 -7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.050 -0.124 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.712 0.282 -4.906 1.00 0.00 H new ATOM 751 N PRO A 55 10.835 4.976 -4.873 1.00 0.00 N ATOM 752 CA PRO A 55 9.549 5.669 -4.758 1.00 0.00 C ATOM 753 C PRO A 55 8.712 5.552 -6.028 1.00 0.00 C ATOM 754 O PRO A 55 9.130 5.989 -7.100 1.00 0.00 O ATOM 755 CB PRO A 55 9.952 7.126 -4.516 1.00 0.00 C ATOM 756 CG PRO A 55 11.308 7.249 -5.120 1.00 0.00 C ATOM 757 CD PRO A 55 11.970 5.913 -4.929 1.00 0.00 C ATOM 0 HA PRO A 55 8.928 5.247 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.247 7.814 -4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.970 7.360 -3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.242 7.504 -6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.880 8.041 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.645 5.678 -5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.561 5.884 -4.013 1.00 0.00 H new ATOM 765 N SER A 56 7.529 4.960 -5.899 1.00 0.00 N ATOM 766 CA SER A 56 6.635 4.783 -7.037 1.00 0.00 C ATOM 767 C SER A 56 5.193 4.601 -6.572 1.00 0.00 C ATOM 768 O SER A 56 4.920 3.993 -5.537 1.00 0.00 O ATOM 769 CB SER A 56 7.070 3.577 -7.871 1.00 0.00 C ATOM 770 OG SER A 56 6.170 3.345 -8.941 1.00 0.00 O ATOM 0 H SER A 56 7.168 4.595 -5.018 1.00 0.00 H new ATOM 0 HA SER A 56 6.689 5.680 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.072 3.746 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.122 2.692 -7.237 1.00 0.00 H new ATOM 0 HG SER A 56 6.471 2.570 -9.460 1.00 0.00 H new ATOM 776 N PRO A 57 4.247 5.140 -7.355 1.00 0.00 N ATOM 777 CA PRO A 57 2.817 5.050 -7.046 1.00 0.00 C ATOM 778 C PRO A 57 2.278 3.632 -7.203 1.00 0.00 C ATOM 779 O PRO A 57 1.082 3.391 -7.040 1.00 0.00 O ATOM 780 CB PRO A 57 2.173 5.984 -8.073 1.00 0.00 C ATOM 781 CG PRO A 57 3.132 6.015 -9.212 1.00 0.00 C ATOM 782 CD PRO A 57 4.501 5.878 -8.604 1.00 0.00 C ATOM 0 HA PRO A 57 2.606 5.321 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.197 5.614 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.018 6.980 -7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.933 5.204 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.044 6.947 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.180 5.334 -9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.954 6.850 -8.411 1.00 0.00 H new ATOM 790 N VAL A 58 3.168 2.697 -7.519 1.00 0.00 N ATOM 791 CA VAL A 58 2.781 1.303 -7.696 1.00 0.00 C ATOM 792 C VAL A 58 3.853 0.362 -7.156 1.00 0.00 C ATOM 793 O VAL A 58 4.904 0.182 -7.773 1.00 0.00 O ATOM 794 CB VAL A 58 2.526 0.975 -9.179 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.112 -0.480 -9.341 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.470 1.906 -9.756 1.00 0.00 C ATOM 0 H VAL A 58 4.162 2.880 -7.658 1.00 0.00 H new ATOM 0 HA VAL A 58 1.858 1.158 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 58 3.453 1.127 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.936 -0.693 -10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.905 -1.128 -8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.198 -0.663 -8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.302 1.660 -10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.539 1.788 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.812 2.938 -9.675 1.00 0.00 H new ATOM 806 N LEU A 59 3.581 -0.235 -6.001 1.00 0.00 N ATOM 807 CA LEU A 59 4.522 -1.159 -5.378 1.00 0.00 C ATOM 808 C LEU A 59 4.147 -2.606 -5.681 1.00 0.00 C ATOM 809 O LEU A 59 3.000 -3.012 -5.493 1.00 0.00 O ATOM 810 CB LEU A 59 4.558 -0.936 -3.865 1.00 0.00 C ATOM 811 CG LEU A 59 5.120 -2.087 -3.030 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.584 -2.325 -3.365 1.00 0.00 C ATOM 813 CD2 LEU A 59 4.951 -1.802 -1.545 1.00 0.00 C ATOM 0 H LEU A 59 2.717 -0.096 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 59 5.511 -0.966 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.151 -0.044 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.544 -0.728 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 59 4.561 -2.991 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.966 -3.148 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.679 -2.576 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.157 -1.422 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.357 -2.632 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.483 -0.886 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.892 -1.683 -1.316 1.00 0.00 H new ATOM 825 N ILE A 60 5.121 -3.379 -6.148 1.00 0.00 N ATOM 826 CA ILE A 60 4.894 -4.781 -6.474 1.00 0.00 C ATOM 827 C ILE A 60 5.733 -5.695 -5.586 1.00 0.00 C ATOM 828 O ILE A 60 6.963 -5.632 -5.599 1.00 0.00 O ATOM 829 CB ILE A 60 5.220 -5.077 -7.950 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.483 -4.095 -8.864 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.852 -6.511 -8.297 1.00 0.00 C ATOM 832 CD1 ILE A 60 5.255 -2.822 -9.130 1.00 0.00 C ATOM 0 H ILE A 60 6.076 -3.058 -6.309 1.00 0.00 H new ATOM 0 HA ILE A 60 3.836 -4.978 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 60 6.292 -4.952 -8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.269 -4.586 -9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.524 -3.841 -8.413 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.088 -6.704 -9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.418 -7.195 -7.665 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.785 -6.663 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.673 -2.173 -9.785 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.446 -2.309 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.203 -3.065 -9.610 1.00 0.00 H new ATOM 844 N LEU A 61 5.060 -6.544 -4.818 1.00 0.00 N ATOM 845 CA LEU A 61 5.743 -7.474 -3.925 1.00 0.00 C ATOM 846 C LEU A 61 5.660 -8.901 -4.457 1.00 0.00 C ATOM 847 O LEU A 61 4.943 -9.747 -3.923 1.00 0.00 O ATOM 848 CB LEU A 61 5.137 -7.403 -2.523 1.00 0.00 C ATOM 849 CG LEU A 61 6.082 -7.729 -1.365 1.00 0.00 C ATOM 850 CD1 LEU A 61 7.207 -6.709 -1.292 1.00 0.00 C ATOM 851 CD2 LEU A 61 5.317 -7.778 -0.050 1.00 0.00 C ATOM 0 H LEU A 61 4.042 -6.608 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 61 6.793 -7.186 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.741 -6.399 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.291 -8.089 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 61 6.520 -8.711 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.869 -6.957 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.772 -6.723 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.787 -5.715 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.005 -8.011 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.850 -6.811 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.547 -8.547 -0.105 1.00 0.00 H new ATOM 863 N PRO A 62 6.411 -9.177 -5.533 1.00 0.00 N ATOM 864 CA PRO A 62 6.442 -10.502 -6.159 1.00 0.00 C ATOM 865 C PRO A 62 7.138 -11.540 -5.285 1.00 0.00 C ATOM 866 O PRO A 62 8.034 -11.210 -4.509 1.00 0.00 O ATOM 867 CB PRO A 62 7.235 -10.268 -7.446 1.00 0.00 C ATOM 868 CG PRO A 62 8.089 -9.083 -7.155 1.00 0.00 C ATOM 869 CD PRO A 62 7.290 -8.216 -6.221 1.00 0.00 C ATOM 0 HA PRO A 62 5.440 -10.897 -6.326 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.839 -11.138 -7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.572 -10.080 -8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.032 -9.384 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.336 -8.546 -8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.932 -7.684 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.717 -7.463 -6.762 1.00 0.00 H new ATOM 877 N GLU A 63 6.719 -12.795 -5.417 1.00 0.00 N ATOM 878 CA GLU A 63 7.303 -13.880 -4.638 1.00 0.00 C ATOM 879 C GLU A 63 7.148 -13.621 -3.142 1.00 0.00 C ATOM 880 O GLU A 63 8.128 -13.622 -2.397 1.00 0.00 O ATOM 881 CB GLU A 63 8.783 -14.049 -4.987 1.00 0.00 C ATOM 882 CG GLU A 63 9.023 -14.882 -6.234 1.00 0.00 C ATOM 883 CD GLU A 63 8.943 -14.062 -7.508 1.00 0.00 C ATOM 884 OE1 GLU A 63 9.780 -13.152 -7.681 1.00 0.00 O ATOM 885 OE2 GLU A 63 8.043 -14.332 -8.330 1.00 0.00 O ATOM 0 H GLU A 63 5.978 -13.085 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 63 6.771 -14.798 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.229 -13.064 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.295 -14.515 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.005 -15.351 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.288 -15.686 -6.277 1.00 0.00 H new ATOM 892 N ILE A 64 5.911 -13.400 -2.711 1.00 0.00 N ATOM 893 CA ILE A 64 5.627 -13.140 -1.305 1.00 0.00 C ATOM 894 C ILE A 64 5.764 -14.410 -0.473 1.00 0.00 C ATOM 895 O ILE A 64 5.502 -15.512 -0.954 1.00 0.00 O ATOM 896 CB ILE A 64 4.212 -12.563 -1.113 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.243 -11.036 -1.200 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.634 -13.012 0.220 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.894 -10.420 -1.496 1.00 0.00 C ATOM 0 H ILE A 64 5.089 -13.396 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 64 6.358 -12.406 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 64 3.571 -12.940 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.618 -10.634 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.947 -10.739 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.634 -12.596 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.580 -14.100 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.273 -12.662 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.992 -9.335 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.525 -10.793 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.191 -10.687 -0.707 1.00 0.00 H new ATOM 911 N GLY A 65 6.174 -14.248 0.782 1.00 0.00 N ATOM 912 CA GLY A 65 6.337 -15.390 1.662 1.00 0.00 C ATOM 913 C GLY A 65 5.962 -15.074 3.097 1.00 0.00 C ATOM 914 O GLY A 65 5.225 -14.128 3.374 1.00 0.00 O ATOM 0 H GLY A 65 6.396 -13.346 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.721 -16.214 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.373 -15.728 1.626 1.00 0.00 H new ATOM 918 N PRO A 66 6.475 -15.881 4.038 1.00 0.00 N ATOM 919 CA PRO A 66 6.202 -15.703 5.467 1.00 0.00 C ATOM 920 C PRO A 66 6.870 -14.455 6.034 1.00 0.00 C ATOM 921 O PRO A 66 6.373 -13.851 6.984 1.00 0.00 O ATOM 922 CB PRO A 66 6.797 -16.962 6.101 1.00 0.00 C ATOM 923 CG PRO A 66 7.855 -17.402 5.149 1.00 0.00 C ATOM 924 CD PRO A 66 7.360 -17.028 3.779 1.00 0.00 C ATOM 0 HA PRO A 66 5.138 -15.571 5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.214 -16.750 7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.039 -17.734 6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.805 -16.914 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.025 -18.476 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.181 -16.760 3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.823 -17.851 3.307 1.00 0.00 H new ATOM 932 N GLN A 67 7.998 -14.073 5.443 1.00 0.00 N ATOM 933 CA GLN A 67 8.734 -12.896 5.890 1.00 0.00 C ATOM 934 C GLN A 67 8.312 -11.659 5.104 1.00 0.00 C ATOM 935 O GLN A 67 9.067 -10.693 4.997 1.00 0.00 O ATOM 936 CB GLN A 67 10.239 -13.122 5.740 1.00 0.00 C ATOM 937 CG GLN A 67 10.673 -13.400 4.310 1.00 0.00 C ATOM 938 CD GLN A 67 12.109 -13.876 4.218 1.00 0.00 C ATOM 939 OE1 GLN A 67 12.493 -14.855 4.859 1.00 0.00 O ATOM 940 NE2 GLN A 67 12.912 -13.185 3.418 1.00 0.00 N ATOM 0 H GLN A 67 8.422 -14.561 4.654 1.00 0.00 H new ATOM 0 HA GLN A 67 8.502 -12.732 6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.768 -12.243 6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.537 -13.960 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.016 -14.153 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.556 -12.494 3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.552 -12.380 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.889 -13.459 3.316 1.00 0.00 H new ATOM 949 N ASP A 68 7.103 -11.697 4.555 1.00 0.00 N ATOM 950 CA ASP A 68 6.581 -10.579 3.779 1.00 0.00 C ATOM 951 C ASP A 68 5.371 -9.956 4.469 1.00 0.00 C ATOM 952 O ASP A 68 5.106 -8.763 4.321 1.00 0.00 O ATOM 953 CB ASP A 68 6.199 -11.041 2.372 1.00 0.00 C ATOM 954 CG ASP A 68 7.409 -11.398 1.531 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.223 -12.230 1.985 1.00 0.00 O ATOM 956 OD2 ASP A 68 7.542 -10.846 0.419 1.00 0.00 O ATOM 0 H ASP A 68 6.466 -12.490 4.633 1.00 0.00 H new ATOM 0 HA ASP A 68 7.363 -9.824 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.541 -11.907 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.634 -10.252 1.875 1.00 0.00 H new ATOM 961 N GLN A 69 4.640 -10.772 5.222 1.00 0.00 N ATOM 962 CA GLN A 69 3.458 -10.301 5.933 1.00 0.00 C ATOM 963 C GLN A 69 3.781 -9.068 6.770 1.00 0.00 C ATOM 964 O GLN A 69 4.945 -8.780 7.046 1.00 0.00 O ATOM 965 CB GLN A 69 2.900 -11.409 6.828 1.00 0.00 C ATOM 966 CG GLN A 69 2.495 -12.660 6.067 1.00 0.00 C ATOM 967 CD GLN A 69 2.034 -13.777 6.984 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.841 -13.922 7.252 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.979 -14.573 7.469 1.00 0.00 N ATOM 0 H GLN A 69 4.846 -11.762 5.355 1.00 0.00 H new ATOM 0 HA GLN A 69 2.705 -10.028 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.650 -11.674 7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.034 -11.026 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.694 -12.413 5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.339 -13.008 5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.956 -14.416 7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.729 -15.342 8.091 1.00 0.00 H new ATOM 978 N GLY A 70 2.742 -8.342 7.171 1.00 0.00 N ATOM 979 CA GLY A 70 2.937 -7.147 7.972 1.00 0.00 C ATOM 980 C GLY A 70 2.075 -5.990 7.507 1.00 0.00 C ATOM 981 O GLY A 70 1.282 -6.131 6.575 1.00 0.00 O ATOM 0 H GLY A 70 1.769 -8.560 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.708 -7.371 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.986 -6.854 7.932 1.00 0.00 H new ATOM 985 N THR A 71 2.228 -4.841 8.158 1.00 0.00 N ATOM 986 CA THR A 71 1.455 -3.656 7.808 1.00 0.00 C ATOM 987 C THR A 71 2.139 -2.861 6.701 1.00 0.00 C ATOM 988 O THR A 71 3.333 -2.572 6.779 1.00 0.00 O ATOM 989 CB THR A 71 1.248 -2.740 9.029 1.00 0.00 C ATOM 990 OG1 THR A 71 2.446 -2.688 9.812 1.00 0.00 O ATOM 991 CG2 THR A 71 0.095 -3.237 9.888 1.00 0.00 C ATOM 0 H THR A 71 2.880 -4.706 8.930 1.00 0.00 H new ATOM 0 HA THR A 71 0.484 -4.004 7.455 1.00 0.00 H new ATOM 0 HB THR A 71 1.007 -1.740 8.669 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.262 -2.237 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.033 -2.575 10.744 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.821 -3.247 9.297 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.311 -4.246 10.239 1.00 0.00 H new ATOM 999 N TYR A 72 1.375 -2.511 5.672 1.00 0.00 N ATOM 1000 CA TYR A 72 1.909 -1.751 4.548 1.00 0.00 C ATOM 1001 C TYR A 72 1.104 -0.474 4.324 1.00 0.00 C ATOM 1002 O TYR A 72 -0.103 -0.521 4.089 1.00 0.00 O ATOM 1003 CB TYR A 72 1.899 -2.603 3.278 1.00 0.00 C ATOM 1004 CG TYR A 72 3.048 -3.582 3.197 1.00 0.00 C ATOM 1005 CD1 TYR A 72 2.990 -4.808 3.849 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.192 -3.281 2.468 1.00 0.00 C ATOM 1007 CE1 TYR A 72 4.038 -5.705 3.778 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.245 -4.173 2.391 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.163 -5.383 3.048 1.00 0.00 C ATOM 1010 OH TYR A 72 6.209 -6.274 2.973 1.00 0.00 O ATOM 0 H TYR A 72 0.384 -2.741 5.593 1.00 0.00 H new ATOM 0 HA TYR A 72 2.937 -1.475 4.784 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.959 -3.153 3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.931 -1.946 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.110 -5.064 4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.260 -2.334 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.977 -6.653 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.127 -3.924 1.820 1.00 0.00 H new ATOM 0 HH TYR A 72 5.947 -7.122 3.389 1.00 0.00 H new ATOM 1020 N SER A 73 1.784 0.666 4.397 1.00 0.00 N ATOM 1021 CA SER A 73 1.133 1.957 4.205 1.00 0.00 C ATOM 1022 C SER A 73 1.963 2.853 3.290 1.00 0.00 C ATOM 1023 O SER A 73 3.188 2.739 3.235 1.00 0.00 O ATOM 1024 CB SER A 73 0.915 2.648 5.552 1.00 0.00 C ATOM 1025 OG SER A 73 0.654 4.030 5.381 1.00 0.00 O ATOM 0 H SER A 73 2.784 0.722 4.588 1.00 0.00 H new ATOM 0 HA SER A 73 0.166 1.782 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.081 2.179 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.797 2.516 6.179 1.00 0.00 H new ATOM 0 HG SER A 73 -0.295 4.207 5.549 1.00 0.00 H new ATOM 1031 N CYS A 74 1.287 3.744 2.573 1.00 0.00 N ATOM 1032 CA CYS A 74 1.959 4.660 1.659 1.00 0.00 C ATOM 1033 C CYS A 74 1.871 6.096 2.166 1.00 0.00 C ATOM 1034 O CYS A 74 0.797 6.570 2.539 1.00 0.00 O ATOM 1035 CB CYS A 74 1.344 4.562 0.262 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.325 5.280 0.132 1.00 0.00 S ATOM 0 H CYS A 74 0.273 3.851 2.607 1.00 0.00 H new ATOM 0 HA CYS A 74 3.010 4.376 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.000 5.065 -0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.300 3.513 -0.031 1.00 0.00 H new ATOM 1041 N VAL A 75 3.008 6.785 2.178 1.00 0.00 N ATOM 1042 CA VAL A 75 3.060 8.168 2.638 1.00 0.00 C ATOM 1043 C VAL A 75 3.162 9.134 1.463 1.00 0.00 C ATOM 1044 O VAL A 75 3.810 8.840 0.459 1.00 0.00 O ATOM 1045 CB VAL A 75 4.252 8.400 3.585 1.00 0.00 C ATOM 1046 CG1 VAL A 75 4.161 9.773 4.232 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.313 7.307 4.641 1.00 0.00 C ATOM 0 H VAL A 75 3.906 6.408 1.874 1.00 0.00 H new ATOM 0 HA VAL A 75 2.133 8.357 3.180 1.00 0.00 H new ATOM 0 HB VAL A 75 5.171 8.361 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.012 9.919 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.170 10.541 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.236 9.845 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.161 7.486 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.392 7.312 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.430 6.338 4.155 1.00 0.00 H new ATOM 1057 N ALA A 76 2.519 10.289 1.596 1.00 0.00 N ATOM 1058 CA ALA A 76 2.540 11.301 0.547 1.00 0.00 C ATOM 1059 C ALA A 76 3.066 12.630 1.077 1.00 0.00 C ATOM 1060 O ALA A 76 2.294 13.488 1.509 1.00 0.00 O ATOM 1061 CB ALA A 76 1.149 11.478 -0.043 1.00 0.00 C ATOM 0 H ALA A 76 1.977 10.547 2.420 1.00 0.00 H new ATOM 0 HA ALA A 76 3.215 10.961 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.179 12.237 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.811 10.533 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.459 11.792 0.740 1.00 0.00 H new ATOM 1067 N THR A 77 4.384 12.797 1.041 1.00 0.00 N ATOM 1068 CA THR A 77 5.013 14.022 1.519 1.00 0.00 C ATOM 1069 C THR A 77 5.124 15.055 0.404 1.00 0.00 C ATOM 1070 O THR A 77 5.115 14.710 -0.779 1.00 0.00 O ATOM 1071 CB THR A 77 6.417 13.746 2.090 1.00 0.00 C ATOM 1072 OG1 THR A 77 6.351 12.707 3.073 1.00 0.00 O ATOM 1073 CG2 THR A 77 7.004 15.004 2.712 1.00 0.00 C ATOM 0 H THR A 77 5.037 12.099 0.686 1.00 0.00 H new ATOM 0 HA THR A 77 4.377 14.415 2.312 1.00 0.00 H new ATOM 0 HB THR A 77 7.063 13.429 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.248 12.537 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.995 14.785 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.080 15.783 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.357 15.346 3.520 1.00 0.00 H new ATOM 1081 N HIS A 78 5.230 16.323 0.786 1.00 0.00 N ATOM 1082 CA HIS A 78 5.344 17.407 -0.183 1.00 0.00 C ATOM 1083 C HIS A 78 5.921 18.660 0.469 1.00 0.00 C ATOM 1084 O HIS A 78 6.310 18.641 1.637 1.00 0.00 O ATOM 1085 CB HIS A 78 3.978 17.720 -0.794 1.00 0.00 C ATOM 1086 CG HIS A 78 2.871 17.779 0.214 1.00 0.00 C ATOM 1087 ND1 HIS A 78 1.735 17.001 0.131 1.00 0.00 N ATOM 1088 CD2 HIS A 78 2.730 18.530 1.331 1.00 0.00 C ATOM 1089 CE1 HIS A 78 0.944 17.271 1.154 1.00 0.00 C ATOM 1090 NE2 HIS A 78 1.525 18.196 1.898 1.00 0.00 N ATOM 0 H HIS A 78 5.239 16.626 1.760 1.00 0.00 H new ATOM 0 HA HIS A 78 6.022 17.084 -0.973 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.033 18.675 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.740 16.961 -1.539 1.00 0.00 H new ATOM 0 HD1 HIS A 78 1.537 16.323 -0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.435 19.257 1.707 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.015 16.814 1.349 1.00 0.00 H new ATOM 1099 N SER A 79 5.976 19.747 -0.295 1.00 0.00 N ATOM 1100 CA SER A 79 6.510 21.007 0.207 1.00 0.00 C ATOM 1101 C SER A 79 6.019 21.279 1.626 1.00 0.00 C ATOM 1102 O SER A 79 6.807 21.598 2.517 1.00 0.00 O ATOM 1103 CB SER A 79 6.107 22.160 -0.714 1.00 0.00 C ATOM 1104 OG SER A 79 7.064 22.351 -1.742 1.00 0.00 O ATOM 0 H SER A 79 5.657 19.780 -1.263 1.00 0.00 H new ATOM 0 HA SER A 79 7.597 20.930 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.132 21.953 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.006 23.076 -0.132 1.00 0.00 H new ATOM 0 HG SER A 79 6.782 23.092 -2.318 1.00 0.00 H new ATOM 1110 N SER A 80 4.712 21.151 1.827 1.00 0.00 N ATOM 1111 CA SER A 80 4.113 21.387 3.136 1.00 0.00 C ATOM 1112 C SER A 80 4.235 20.149 4.020 1.00 0.00 C ATOM 1113 O SER A 80 3.399 19.910 4.892 1.00 0.00 O ATOM 1114 CB SER A 80 2.641 21.776 2.984 1.00 0.00 C ATOM 1115 OG SER A 80 2.075 22.125 4.236 1.00 0.00 O ATOM 0 H SER A 80 4.047 20.885 1.101 1.00 0.00 H new ATOM 0 HA SER A 80 4.651 22.207 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.553 22.615 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.085 20.946 2.548 1.00 0.00 H new ATOM 0 HG SER A 80 2.354 21.475 4.914 1.00 0.00 H new ATOM 1121 N HIS A 81 5.283 19.365 3.787 1.00 0.00 N ATOM 1122 CA HIS A 81 5.516 18.151 4.562 1.00 0.00 C ATOM 1123 C HIS A 81 4.200 17.569 5.068 1.00 0.00 C ATOM 1124 O HIS A 81 4.026 17.350 6.267 1.00 0.00 O ATOM 1125 CB HIS A 81 6.444 18.444 5.741 1.00 0.00 C ATOM 1126 CG HIS A 81 6.095 19.698 6.481 1.00 0.00 C ATOM 1127 ND1 HIS A 81 6.677 20.919 6.211 1.00 0.00 N ATOM 1128 CD2 HIS A 81 5.216 19.917 7.487 1.00 0.00 C ATOM 1129 CE1 HIS A 81 6.173 21.834 7.019 1.00 0.00 C ATOM 1130 NE2 HIS A 81 5.283 21.252 7.804 1.00 0.00 N ATOM 0 H HIS A 81 5.984 19.548 3.069 1.00 0.00 H new ATOM 0 HA HIS A 81 5.990 17.418 3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.414 17.603 6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.468 18.520 5.376 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.580 19.179 7.954 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.442 22.880 7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.735 21.718 8.527 1.00 0.00 H new ATOM 1139 N GLY A 82 3.275 17.319 4.146 1.00 0.00 N ATOM 1140 CA GLY A 82 1.986 16.765 4.519 1.00 0.00 C ATOM 1141 C GLY A 82 1.838 15.314 4.106 1.00 0.00 C ATOM 1142 O GLY A 82 1.188 14.993 3.110 1.00 0.00 O ATOM 0 H GLY A 82 3.395 17.490 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.857 16.847 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.193 17.354 4.057 1.00 0.00 H new ATOM 1146 N PRO A 83 2.452 14.409 4.881 1.00 0.00 N ATOM 1147 CA PRO A 83 2.401 12.969 4.610 1.00 0.00 C ATOM 1148 C PRO A 83 1.015 12.382 4.854 1.00 0.00 C ATOM 1149 O PRO A 83 0.637 12.113 5.994 1.00 0.00 O ATOM 1150 CB PRO A 83 3.411 12.385 5.601 1.00 0.00 C ATOM 1151 CG PRO A 83 3.464 13.373 6.715 1.00 0.00 C ATOM 1152 CD PRO A 83 3.244 14.720 6.083 1.00 0.00 C ATOM 0 HA PRO A 83 2.626 12.742 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.095 11.404 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.390 12.256 5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.698 13.162 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.426 13.334 7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.710 15.395 6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.187 15.203 5.829 1.00 0.00 H new ATOM 1160 N GLN A 84 0.262 12.186 3.776 1.00 0.00 N ATOM 1161 CA GLN A 84 -1.083 11.631 3.874 1.00 0.00 C ATOM 1162 C GLN A 84 -1.035 10.121 4.078 1.00 0.00 C ATOM 1163 O GLN A 84 -1.760 9.374 3.422 1.00 0.00 O ATOM 1164 CB GLN A 84 -1.888 11.963 2.617 1.00 0.00 C ATOM 1165 CG GLN A 84 -2.648 13.276 2.710 1.00 0.00 C ATOM 1166 CD GLN A 84 -2.951 13.873 1.350 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -3.631 13.260 0.527 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -2.445 15.077 1.106 1.00 0.00 N ATOM 0 H GLN A 84 0.560 12.403 2.825 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.572 12.080 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.212 12.004 1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.595 11.156 2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.582 13.113 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.065 13.988 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.887 15.549 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.615 15.529 0.208 1.00 0.00 H new ATOM 1177 N GLU A 85 -0.176 9.678 4.991 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.033 8.256 5.279 1.00 0.00 C ATOM 1179 C GLU A 85 -1.372 7.537 5.145 1.00 0.00 C ATOM 1180 O GLU A 85 -2.274 7.724 5.962 1.00 0.00 O ATOM 1181 CB GLU A 85 0.529 8.052 6.687 1.00 0.00 C ATOM 1182 CG GLU A 85 1.091 6.660 6.923 1.00 0.00 C ATOM 1183 CD GLU A 85 1.449 6.413 8.376 1.00 0.00 C ATOM 1184 OE1 GLU A 85 1.606 7.400 9.124 1.00 0.00 O ATOM 1185 OE2 GLU A 85 1.571 5.233 8.763 1.00 0.00 O ATOM 0 H GLU A 85 0.431 10.283 5.544 1.00 0.00 H new ATOM 0 HA GLU A 85 0.662 7.833 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.314 8.787 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.259 8.245 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.360 5.918 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.978 6.521 6.306 1.00 0.00 H new ATOM 1192 N SER A 86 -1.494 6.714 4.108 1.00 0.00 N ATOM 1193 CA SER A 86 -2.724 5.970 3.863 1.00 0.00 C ATOM 1194 C SER A 86 -2.995 4.982 4.994 1.00 0.00 C ATOM 1195 O SER A 86 -2.173 4.811 5.894 1.00 0.00 O ATOM 1196 CB SER A 86 -2.637 5.224 2.530 1.00 0.00 C ATOM 1197 OG SER A 86 -1.600 4.259 2.552 1.00 0.00 O ATOM 0 H SER A 86 -0.756 6.546 3.424 1.00 0.00 H new ATOM 0 HA SER A 86 -3.548 6.682 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.588 4.735 2.321 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.459 5.935 1.723 1.00 0.00 H new ATOM 0 HG SER A 86 -1.170 4.220 1.672 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.155 4.335 4.941 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.536 3.365 5.960 1.00 0.00 C ATOM 1205 C ARG A 87 -3.459 2.297 6.125 1.00 0.00 C ATOM 1206 O ARG A 87 -2.471 2.280 5.392 1.00 0.00 O ATOM 1207 CB ARG A 87 -5.869 2.709 5.596 1.00 0.00 C ATOM 1208 CG ARG A 87 -5.763 1.703 4.462 1.00 0.00 C ATOM 1209 CD ARG A 87 -6.923 0.719 4.479 1.00 0.00 C ATOM 1210 NE ARG A 87 -7.227 0.209 3.145 1.00 0.00 N ATOM 1211 CZ ARG A 87 -8.394 -0.332 2.813 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -9.362 -0.432 3.714 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -8.595 -0.774 1.579 1.00 0.00 N ATOM 0 H ARG A 87 -4.847 4.465 4.203 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.645 3.894 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.271 2.209 6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.582 3.485 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.745 2.229 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.822 1.159 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.682 -0.114 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.806 1.207 4.891 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.504 0.272 2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.211 -0.093 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.257 -0.848 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.853 -0.699 0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.492 -1.189 1.326 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.658 1.408 7.093 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.704 0.337 7.353 1.00 0.00 C ATOM 1229 C ALA A 88 -3.276 -1.017 6.946 1.00 0.00 C ATOM 1230 O ALA A 88 -4.227 -1.509 7.554 1.00 0.00 O ATOM 1231 CB ALA A 88 -2.312 0.325 8.823 1.00 0.00 C ATOM 0 H ALA A 88 -4.471 1.408 7.709 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.814 0.523 6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.599 -0.480 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.856 1.279 9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.200 0.167 9.435 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.691 -1.614 5.913 1.00 0.00 N ATOM 1238 CA VAL A 89 -3.141 -2.912 5.424 1.00 0.00 C ATOM 1239 C VAL A 89 -2.244 -4.034 5.934 1.00 0.00 C ATOM 1240 O VAL A 89 -1.018 -3.948 5.852 1.00 0.00 O ATOM 1241 CB VAL A 89 -3.171 -2.953 3.885 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -1.757 -2.965 3.324 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.957 -4.161 3.399 1.00 0.00 C ATOM 0 H VAL A 89 -1.904 -1.219 5.398 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.152 -3.059 5.804 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.672 -2.054 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.798 -2.994 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.231 -2.065 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.227 -3.844 3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.968 -4.174 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.488 -5.073 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.980 -4.103 3.771 1.00 0.00 H new ATOM 1253 N SER A 90 -2.862 -5.086 6.461 1.00 0.00 N ATOM 1254 CA SER A 90 -2.118 -6.224 6.988 1.00 0.00 C ATOM 1255 C SER A 90 -2.070 -7.360 5.970 1.00 0.00 C ATOM 1256 O SER A 90 -3.090 -7.978 5.665 1.00 0.00 O ATOM 1257 CB SER A 90 -2.754 -6.717 8.289 1.00 0.00 C ATOM 1258 OG SER A 90 -4.136 -6.978 8.115 1.00 0.00 O ATOM 0 H SER A 90 -3.876 -5.174 6.534 1.00 0.00 H new ATOM 0 HA SER A 90 -1.098 -5.898 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.249 -7.623 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.618 -5.969 9.070 1.00 0.00 H new ATOM 0 HG SER A 90 -4.296 -7.296 7.202 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.878 -7.628 5.449 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.695 -8.689 4.466 1.00 0.00 C ATOM 1266 C ILE A 91 -0.492 -10.039 5.146 1.00 0.00 C ATOM 1267 O ILE A 91 0.396 -10.196 5.984 1.00 0.00 O ATOM 1268 CB ILE A 91 0.507 -8.404 3.546 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.356 -7.034 2.883 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.640 -9.496 2.495 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -0.959 -6.856 2.155 1.00 0.00 C ATOM 0 H ILE A 91 -0.024 -7.125 5.691 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.603 -8.721 3.864 1.00 0.00 H new ATOM 0 HB ILE A 91 1.414 -8.396 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.449 -6.259 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.175 -6.888 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.494 -9.281 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.789 -10.458 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.267 -9.533 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.997 -5.862 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.046 -7.608 1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.783 -6.969 2.859 1.00 0.00 H new ATOM 1283 N SER A 92 -1.321 -11.011 4.778 1.00 0.00 N ATOM 1284 CA SER A 92 -1.234 -12.348 5.354 1.00 0.00 C ATOM 1285 C SER A 92 -1.250 -13.412 4.261 1.00 0.00 C ATOM 1286 O SER A 92 -1.712 -13.165 3.146 1.00 0.00 O ATOM 1287 CB SER A 92 -2.390 -12.583 6.328 1.00 0.00 C ATOM 1288 OG SER A 92 -2.155 -11.932 7.565 1.00 0.00 O ATOM 0 H SER A 92 -2.060 -10.898 4.084 1.00 0.00 H new ATOM 0 HA SER A 92 -0.291 -12.423 5.896 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.318 -12.216 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.517 -13.653 6.495 1.00 0.00 H new ATOM 0 HG SER A 92 -2.909 -12.096 8.169 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.744 -14.596 4.589 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.702 -15.698 3.637 1.00 0.00 C ATOM 1296 C ILE A 93 -1.945 -16.574 3.753 1.00 0.00 C ATOM 1297 O ILE A 93 -2.411 -16.865 4.855 1.00 0.00 O ATOM 1298 CB ILE A 93 0.549 -16.573 3.843 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.811 -15.709 3.824 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.623 -17.652 2.774 1.00 0.00 C ATOM 1301 CD1 ILE A 93 3.030 -16.406 4.387 1.00 0.00 C ATOM 0 H ILE A 93 -0.358 -14.816 5.507 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.665 -15.253 2.643 1.00 0.00 H new ATOM 0 HB ILE A 93 0.478 -17.058 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.018 -15.405 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.627 -14.799 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.512 -18.262 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.264 -18.283 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.674 -17.186 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.887 -15.734 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.843 -16.686 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.240 -17.301 3.802 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.477 -16.991 2.609 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.664 -17.836 2.582 1.00 0.00 C ATOM 1315 C ILE A 94 -3.288 -19.312 2.510 1.00 0.00 C ATOM 1316 O ILE A 94 -2.305 -19.681 1.867 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.574 -17.491 1.389 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -4.923 -16.001 1.400 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.839 -18.336 1.425 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.633 -15.537 0.147 1.00 0.00 C ATOM 0 H ILE A 94 -2.105 -16.757 1.689 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.206 -17.647 3.509 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.038 -17.713 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.553 -15.790 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.008 -15.423 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.472 -18.080 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.573 -19.392 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.380 -18.142 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.849 -14.471 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.996 -15.716 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.566 -16.089 0.032 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.077 -20.152 3.172 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.826 -21.588 3.181 1.00 0.00 C ATOM 1334 C GLU A 95 -4.779 -22.313 2.234 1.00 0.00 C ATOM 1335 O GLU A 95 -5.936 -21.929 2.063 1.00 0.00 O ATOM 1336 CB GLU A 95 -3.977 -22.146 4.598 1.00 0.00 C ATOM 1337 CG GLU A 95 -5.399 -22.083 5.129 1.00 0.00 C ATOM 1338 CD GLU A 95 -5.699 -20.777 5.840 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -4.943 -20.421 6.769 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -6.688 -20.112 5.468 1.00 0.00 O ATOM 0 H GLU A 95 -4.895 -19.863 3.709 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.804 -21.754 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.640 -23.182 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.322 -21.591 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.098 -22.211 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.563 -22.913 5.816 1.00 0.00 H new ATOM 1347 N PRO A 96 -4.281 -23.386 1.602 1.00 0.00 N ATOM 1348 CA PRO A 96 -5.070 -24.188 0.662 1.00 0.00 C ATOM 1349 C PRO A 96 -6.168 -24.984 1.358 1.00 0.00 C ATOM 1350 O PRO A 96 -6.477 -24.745 2.525 1.00 0.00 O ATOM 1351 CB PRO A 96 -4.035 -25.131 0.044 1.00 0.00 C ATOM 1352 CG PRO A 96 -2.959 -25.237 1.070 1.00 0.00 C ATOM 1353 CD PRO A 96 -2.910 -23.901 1.758 1.00 0.00 C ATOM 0 HA PRO A 96 -5.589 -23.566 -0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.469 -26.106 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.649 -24.735 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.175 -26.034 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.001 -25.473 0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.635 -24.000 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.177 -23.239 1.297 1.00 0.00 H new TER 1361 PRO A 96