USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 hydrogens (15 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 NoAdj-H: A 37 AAR HA : A 37 AAR CA : A 37 AAR N :(H bumps) USER MOD NoAdj-H: A 37 AAR H2 : A 37 AAR N : A 36 SER C :(H bumps) USER MOD NoAdj-H: A 37 AAR H : A 37 AAR NT : A 37 AAR C :(H bumps) USER MOD NoAdj-H: A 37 AAR H : A 37 AAR N : A 36 SER C :(H bumps) USER MOD Set 1.1: A 11 SER OG : rot 40:sc= 0.256 USER MOD Set 1.2: A 15 SER OG : rot 125:sc= 0.0736 USER MOD Set 2.1: A 7 SER OG : rot -135:sc= 0.475 USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -161:sc=-0.00292 (180deg=-0.397) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -106:sc= -0.0328 (180deg=-0.999) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc=-0.00223 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.035) USER MOD Single : A 17 MET CE :methyl -167:sc= -0.104 (180deg=-0.141) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.034) USER MOD Single : A 35 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.83) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.841 -5.850 -7.171 1.00 0.00 N ATOM 2 CA MET A 1 23.803 -7.070 -8.030 1.00 0.00 C ATOM 3 C MET A 1 22.349 -7.388 -8.405 1.00 0.00 C ATOM 4 O MET A 1 21.529 -7.681 -7.551 1.00 0.00 O ATOM 5 CB MET A 1 24.411 -8.255 -7.269 1.00 0.00 C ATOM 6 CG MET A 1 25.406 -8.990 -8.171 1.00 0.00 C ATOM 7 SD MET A 1 24.562 -10.353 -9.014 1.00 0.00 S ATOM 8 CE MET A 1 24.513 -9.609 -10.663 1.00 0.00 C ATOM 0 H1 MET A 1 24.826 -5.635 -6.917 1.00 0.00 H new ATOM 0 H2 MET A 1 23.434 -5.047 -7.691 1.00 0.00 H new ATOM 0 H3 MET A 1 23.289 -6.017 -6.306 1.00 0.00 H new ATOM 0 HA MET A 1 24.380 -6.892 -8.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.913 -7.902 -6.368 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.623 -8.937 -6.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.828 -8.301 -8.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.237 -9.373 -7.578 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.754 -10.109 -11.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.269 -8.550 -10.577 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.486 -9.719 -11.141 1.00 0.00 H new ATOM 20 N GLU A 2 22.028 -7.326 -9.676 1.00 0.00 N ATOM 21 CA GLU A 2 20.631 -7.618 -10.123 1.00 0.00 C ATOM 22 C GLU A 2 20.600 -8.951 -10.879 1.00 0.00 C ATOM 23 O GLU A 2 21.341 -9.156 -11.825 1.00 0.00 O ATOM 24 CB GLU A 2 20.144 -6.493 -11.045 1.00 0.00 C ATOM 25 CG GLU A 2 19.392 -5.439 -10.224 1.00 0.00 C ATOM 26 CD GLU A 2 20.394 -4.560 -9.464 1.00 0.00 C ATOM 27 OE1 GLU A 2 20.968 -3.677 -10.082 1.00 0.00 O ATOM 28 OE2 GLU A 2 20.567 -4.783 -8.277 1.00 0.00 O ATOM 0 H GLU A 2 22.677 -7.085 -10.425 1.00 0.00 H new ATOM 0 HA GLU A 2 19.978 -7.683 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 2 20.992 -6.034 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 2 19.491 -6.900 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.779 -4.822 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.716 -5.926 -9.522 1.00 0.00 H new ATOM 35 N VAL A 3 19.745 -9.856 -10.464 1.00 0.00 N ATOM 36 CA VAL A 3 19.647 -11.185 -11.149 1.00 0.00 C ATOM 37 C VAL A 3 18.173 -11.528 -11.395 1.00 0.00 C ATOM 38 O VAL A 3 17.352 -11.455 -10.498 1.00 0.00 O ATOM 39 CB VAL A 3 20.295 -12.275 -10.279 1.00 0.00 C ATOM 40 CG1 VAL A 3 21.818 -12.154 -10.357 1.00 0.00 C ATOM 41 CG2 VAL A 3 19.848 -12.120 -8.819 1.00 0.00 C ATOM 0 H VAL A 3 19.108 -9.731 -9.677 1.00 0.00 H new ATOM 0 HA VAL A 3 20.172 -11.135 -12.103 1.00 0.00 H new ATOM 0 HB VAL A 3 19.984 -13.253 -10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 3 22.276 -12.927 -9.740 1.00 0.00 H new ATOM 0 HG12 VAL A 3 22.140 -12.276 -11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 3 22.124 -11.172 -9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 3 20.313 -12.897 -8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 3 20.150 -11.140 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 18.764 -12.212 -8.759 1.00 0.00 H new ATOM 51 N ALA A 4 17.840 -11.901 -12.614 1.00 0.00 N ATOM 52 CA ALA A 4 16.422 -12.254 -12.958 1.00 0.00 C ATOM 53 C ALA A 4 15.475 -11.140 -12.481 1.00 0.00 C ATOM 54 O ALA A 4 14.678 -11.326 -11.577 1.00 0.00 O ATOM 55 CB ALA A 4 16.050 -13.584 -12.290 1.00 0.00 C ATOM 0 H ALA A 4 18.497 -11.976 -13.390 1.00 0.00 H new ATOM 0 HA ALA A 4 16.326 -12.357 -14.039 1.00 0.00 H new ATOM 0 HB1 ALA A 4 15.020 -13.841 -12.539 1.00 0.00 H new ATOM 0 HB2 ALA A 4 16.717 -14.369 -12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 4 16.148 -13.488 -11.209 1.00 0.00 H new ATOM 61 N MET A 5 15.563 -9.979 -13.088 1.00 0.00 N ATOM 62 CA MET A 5 14.679 -8.842 -12.685 1.00 0.00 C ATOM 63 C MET A 5 13.355 -8.929 -13.458 1.00 0.00 C ATOM 64 O MET A 5 13.083 -8.139 -14.347 1.00 0.00 O ATOM 65 CB MET A 5 15.384 -7.513 -12.988 1.00 0.00 C ATOM 66 CG MET A 5 16.557 -7.320 -12.023 1.00 0.00 C ATOM 67 SD MET A 5 15.927 -6.894 -10.381 1.00 0.00 S ATOM 68 CE MET A 5 15.807 -5.107 -10.636 1.00 0.00 C ATOM 0 H MET A 5 16.212 -9.771 -13.847 1.00 0.00 H new ATOM 0 HA MET A 5 14.472 -8.896 -11.616 1.00 0.00 H new ATOM 0 HB2 MET A 5 15.742 -7.507 -14.017 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.680 -6.686 -12.890 1.00 0.00 H new ATOM 0 HG2 MET A 5 17.152 -8.232 -11.970 1.00 0.00 H new ATOM 0 HG3 MET A 5 17.215 -6.531 -12.387 1.00 0.00 H new ATOM 0 HE1 MET A 5 16.612 -4.608 -10.096 1.00 0.00 H new ATOM 0 HE2 MET A 5 15.891 -4.885 -11.700 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.846 -4.750 -10.266 1.00 0.00 H new ATOM 78 N VAL A 6 12.529 -9.894 -13.121 1.00 0.00 N ATOM 79 CA VAL A 6 11.216 -10.057 -13.821 1.00 0.00 C ATOM 80 C VAL A 6 10.119 -10.361 -12.793 1.00 0.00 C ATOM 81 O VAL A 6 10.326 -11.106 -11.851 1.00 0.00 O ATOM 82 CB VAL A 6 11.302 -11.207 -14.838 1.00 0.00 C ATOM 83 CG1 VAL A 6 12.145 -10.768 -16.038 1.00 0.00 C ATOM 84 CG2 VAL A 6 11.947 -12.437 -14.187 1.00 0.00 C ATOM 0 H VAL A 6 12.711 -10.578 -12.387 1.00 0.00 H new ATOM 0 HA VAL A 6 10.976 -9.133 -14.347 1.00 0.00 H new ATOM 0 HB VAL A 6 10.296 -11.463 -15.170 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.205 -11.584 -16.758 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.683 -9.901 -16.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.148 -10.506 -15.702 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.004 -13.246 -14.915 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.951 -12.184 -13.847 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.345 -12.756 -13.336 1.00 0.00 H new ATOM 94 N SER A 7 8.951 -9.785 -12.970 1.00 0.00 N ATOM 95 CA SER A 7 7.831 -10.030 -12.011 1.00 0.00 C ATOM 96 C SER A 7 6.908 -11.124 -12.559 1.00 0.00 C ATOM 97 O SER A 7 6.578 -11.144 -13.733 1.00 0.00 O ATOM 98 CB SER A 7 7.031 -8.740 -11.813 1.00 0.00 C ATOM 99 OG SER A 7 7.668 -7.937 -10.828 1.00 0.00 O ATOM 0 H SER A 7 8.728 -9.155 -13.740 1.00 0.00 H new ATOM 0 HA SER A 7 8.244 -10.352 -11.055 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.961 -8.194 -12.754 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.012 -8.974 -11.504 1.00 0.00 H new ATOM 0 HG SER A 7 6.995 -7.584 -10.209 1.00 0.00 H new ATOM 105 N ALA A 8 6.486 -12.029 -11.709 1.00 0.00 N ATOM 106 CA ALA A 8 5.579 -13.131 -12.151 1.00 0.00 C ATOM 107 C ALA A 8 4.609 -13.465 -11.011 1.00 0.00 C ATOM 108 O ALA A 8 4.648 -14.536 -10.428 1.00 0.00 O ATOM 109 CB ALA A 8 6.410 -14.362 -12.511 1.00 0.00 C ATOM 0 H ALA A 8 6.734 -12.050 -10.720 1.00 0.00 H new ATOM 0 HA ALA A 8 5.013 -12.819 -13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.748 -15.166 -12.833 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.099 -14.113 -13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.977 -14.686 -11.638 1.00 0.00 H new ATOM 115 N GLU A 9 3.744 -12.539 -10.691 1.00 0.00 N ATOM 116 CA GLU A 9 2.759 -12.757 -9.587 1.00 0.00 C ATOM 117 C GLU A 9 1.397 -13.135 -10.179 1.00 0.00 C ATOM 118 O GLU A 9 0.857 -12.433 -11.016 1.00 0.00 O ATOM 119 CB GLU A 9 2.618 -11.469 -8.767 1.00 0.00 C ATOM 120 CG GLU A 9 3.843 -11.290 -7.858 1.00 0.00 C ATOM 121 CD GLU A 9 5.052 -10.830 -8.687 1.00 0.00 C ATOM 122 OE1 GLU A 9 4.981 -9.757 -9.267 1.00 0.00 O ATOM 123 OE2 GLU A 9 6.030 -11.559 -8.723 1.00 0.00 O ATOM 0 H GLU A 9 3.676 -11.631 -11.151 1.00 0.00 H new ATOM 0 HA GLU A 9 3.110 -13.563 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.521 -10.612 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.710 -11.509 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.625 -10.557 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.073 -12.229 -7.355 1.00 0.00 H new ATOM 130 N SER A 10 0.836 -14.239 -9.741 1.00 0.00 N ATOM 131 CA SER A 10 -0.497 -14.675 -10.264 1.00 0.00 C ATOM 132 C SER A 10 -1.564 -14.492 -9.171 1.00 0.00 C ATOM 133 O SER A 10 -2.543 -15.216 -9.116 1.00 0.00 O ATOM 134 CB SER A 10 -0.423 -16.147 -10.682 1.00 0.00 C ATOM 135 OG SER A 10 0.324 -16.256 -11.889 1.00 0.00 O ATOM 0 H SER A 10 1.247 -14.858 -9.042 1.00 0.00 H new ATOM 0 HA SER A 10 -0.767 -14.070 -11.129 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.047 -16.737 -9.895 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.427 -16.547 -10.824 1.00 0.00 H new ATOM 0 HG SER A 10 0.375 -17.197 -12.158 1.00 0.00 H new ATOM 141 N SER A 11 -1.379 -13.516 -8.309 1.00 0.00 N ATOM 142 CA SER A 11 -2.363 -13.251 -7.212 1.00 0.00 C ATOM 143 C SER A 11 -1.843 -12.097 -6.354 1.00 0.00 C ATOM 144 O SER A 11 -0.834 -12.219 -5.679 1.00 0.00 O ATOM 145 CB SER A 11 -2.546 -14.498 -6.337 1.00 0.00 C ATOM 146 OG SER A 11 -1.278 -15.082 -6.055 1.00 0.00 O ATOM 0 H SER A 11 -0.577 -12.886 -8.321 1.00 0.00 H new ATOM 0 HA SER A 11 -3.327 -12.993 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.048 -14.230 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.184 -15.220 -6.847 1.00 0.00 H new ATOM 0 HG SER A 11 -0.622 -14.374 -5.886 1.00 0.00 H new ATOM 152 N GLY A 12 -2.518 -10.978 -6.385 1.00 0.00 N ATOM 153 CA GLY A 12 -2.069 -9.803 -5.584 1.00 0.00 C ATOM 154 C GLY A 12 -2.958 -9.660 -4.348 1.00 0.00 C ATOM 155 O GLY A 12 -2.627 -10.143 -3.280 1.00 0.00 O ATOM 0 H GLY A 12 -3.365 -10.828 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.029 -9.930 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.119 -8.897 -6.188 1.00 0.00 H new ATOM 159 N CYS A 13 -4.086 -9.003 -4.490 1.00 0.00 N ATOM 160 CA CYS A 13 -5.014 -8.823 -3.329 1.00 0.00 C ATOM 161 C CYS A 13 -5.625 -10.170 -2.922 1.00 0.00 C ATOM 162 O CYS A 13 -6.122 -10.324 -1.820 1.00 0.00 O ATOM 163 CB CYS A 13 -6.129 -7.844 -3.710 1.00 0.00 C ATOM 164 SG CYS A 13 -6.677 -6.949 -2.234 1.00 0.00 S ATOM 0 H CYS A 13 -4.404 -8.583 -5.363 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.451 -8.424 -2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.769 -7.141 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.966 -8.384 -4.153 1.00 0.00 H new ATOM 0 HG CYS A 13 -7.622 -6.117 -2.557 1.00 0.00 H new ATOM 170 N ASN A 14 -5.580 -11.143 -3.799 1.00 0.00 N ATOM 171 CA ASN A 14 -6.143 -12.491 -3.476 1.00 0.00 C ATOM 172 C ASN A 14 -5.288 -13.154 -2.389 1.00 0.00 C ATOM 173 O ASN A 14 -5.806 -13.758 -1.468 1.00 0.00 O ATOM 174 CB ASN A 14 -6.136 -13.363 -4.738 1.00 0.00 C ATOM 175 CG ASN A 14 -6.952 -14.636 -4.492 1.00 0.00 C ATOM 176 OD1 ASN A 14 -8.156 -14.643 -4.665 1.00 0.00 O ATOM 177 ND2 ASN A 14 -6.345 -15.721 -4.093 1.00 0.00 N ATOM 0 H ASN A 14 -5.174 -11.060 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.166 -12.382 -3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.555 -12.808 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.112 -13.622 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.880 -16.573 -3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.335 -15.716 -3.948 1.00 0.00 H new ATOM 184 N SER A 15 -3.985 -13.036 -2.492 1.00 0.00 N ATOM 185 CA SER A 15 -3.083 -13.647 -1.469 1.00 0.00 C ATOM 186 C SER A 15 -3.019 -12.745 -0.236 1.00 0.00 C ATOM 187 O SER A 15 -3.164 -13.202 0.882 1.00 0.00 O ATOM 188 CB SER A 15 -1.677 -13.824 -2.054 1.00 0.00 C ATOM 189 OG SER A 15 -1.727 -14.756 -3.127 1.00 0.00 O ATOM 0 H SER A 15 -3.508 -12.540 -3.245 1.00 0.00 H new ATOM 0 HA SER A 15 -3.476 -14.623 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.295 -12.866 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.992 -14.176 -1.283 1.00 0.00 H new ATOM 0 HG SER A 15 -1.354 -14.345 -3.935 1.00 0.00 H new ATOM 195 N HIS A 16 -2.813 -11.469 -0.440 1.00 0.00 N ATOM 196 CA HIS A 16 -2.739 -10.511 0.709 1.00 0.00 C ATOM 197 C HIS A 16 -2.975 -9.081 0.207 1.00 0.00 C ATOM 198 O HIS A 16 -3.878 -8.400 0.661 1.00 0.00 O ATOM 199 CB HIS A 16 -1.357 -10.605 1.371 1.00 0.00 C ATOM 200 CG HIS A 16 -1.488 -11.248 2.725 1.00 0.00 C ATOM 201 ND1 HIS A 16 -1.677 -10.507 3.881 1.00 0.00 N ATOM 202 CD2 HIS A 16 -1.454 -12.562 3.123 1.00 0.00 C ATOM 203 CE1 HIS A 16 -1.749 -11.372 4.909 1.00 0.00 C ATOM 204 NE2 HIS A 16 -1.620 -12.637 4.503 1.00 0.00 N ATOM 0 H HIS A 16 -2.692 -11.045 -1.360 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.507 -10.766 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.682 -11.188 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.922 -9.611 1.470 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.319 -13.408 2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.894 -11.078 5.938 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.639 -13.478 5.080 1.00 0.00 H new ATOM 212 N MET A 17 -2.170 -8.627 -0.725 1.00 0.00 N ATOM 213 CA MET A 17 -2.329 -7.244 -1.268 1.00 0.00 C ATOM 214 C MET A 17 -1.813 -7.200 -2.713 1.00 0.00 C ATOM 215 O MET A 17 -0.854 -7.876 -3.050 1.00 0.00 O ATOM 216 CB MET A 17 -1.524 -6.258 -0.413 1.00 0.00 C ATOM 217 CG MET A 17 -2.464 -5.513 0.538 1.00 0.00 C ATOM 218 SD MET A 17 -1.627 -5.234 2.119 1.00 0.00 S ATOM 219 CE MET A 17 -1.980 -6.850 2.854 1.00 0.00 C ATOM 0 H MET A 17 -1.404 -9.162 -1.135 1.00 0.00 H new ATOM 0 HA MET A 17 -3.383 -6.967 -1.246 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.763 -6.792 0.156 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.002 -5.548 -1.054 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.762 -4.561 0.099 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.375 -6.092 0.694 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.756 -6.822 3.920 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.033 -7.093 2.711 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.364 -7.610 2.374 1.00 0.00 H new ATOM 229 N PRO A 18 -2.473 -6.398 -3.517 1.00 0.00 N ATOM 230 CA PRO A 18 -2.068 -6.266 -4.940 1.00 0.00 C ATOM 231 C PRO A 18 -0.575 -5.955 -5.062 1.00 0.00 C ATOM 232 O PRO A 18 -0.019 -5.174 -4.310 1.00 0.00 O ATOM 233 CB PRO A 18 -2.922 -5.114 -5.474 1.00 0.00 C ATOM 234 CG PRO A 18 -3.347 -4.284 -4.249 1.00 0.00 C ATOM 235 CD PRO A 18 -3.181 -5.195 -3.021 1.00 0.00 C ATOM 0 HA PRO A 18 -2.222 -7.187 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.356 -4.505 -6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.794 -5.492 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.731 -3.390 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.380 -3.950 -4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.609 -4.698 -2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.148 -5.457 -2.592 1.00 0.00 H new ATOM 243 N TYR A 19 0.066 -6.584 -6.012 1.00 0.00 N ATOM 244 CA TYR A 19 1.526 -6.377 -6.233 1.00 0.00 C ATOM 245 C TYR A 19 1.807 -4.903 -6.553 1.00 0.00 C ATOM 246 O TYR A 19 1.109 -4.285 -7.340 1.00 0.00 O ATOM 247 CB TYR A 19 1.968 -7.260 -7.399 1.00 0.00 C ATOM 248 CG TYR A 19 3.477 -7.249 -7.509 1.00 0.00 C ATOM 249 CD1 TYR A 19 4.253 -7.932 -6.565 1.00 0.00 C ATOM 250 CD2 TYR A 19 4.097 -6.555 -8.555 1.00 0.00 C ATOM 251 CE1 TYR A 19 5.650 -7.921 -6.666 1.00 0.00 C ATOM 252 CE2 TYR A 19 5.493 -6.544 -8.657 1.00 0.00 C ATOM 253 CZ TYR A 19 6.269 -7.227 -7.712 1.00 0.00 C ATOM 254 OH TYR A 19 7.646 -7.217 -7.813 1.00 0.00 O ATOM 0 H TYR A 19 -0.370 -7.245 -6.655 1.00 0.00 H new ATOM 0 HA TYR A 19 2.080 -6.644 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.613 -8.280 -7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.524 -6.901 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.774 -8.468 -5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.498 -6.028 -9.283 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.249 -8.447 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.972 -6.009 -9.464 1.00 0.00 H new ATOM 0 HH TYR A 19 7.913 -6.691 -8.596 1.00 0.00 H new ATOM 264 N GLY A 20 2.821 -4.337 -5.937 1.00 0.00 N ATOM 265 CA GLY A 20 3.155 -2.900 -6.183 1.00 0.00 C ATOM 266 C GLY A 20 2.028 -2.022 -5.631 1.00 0.00 C ATOM 267 O GLY A 20 1.521 -1.149 -6.312 1.00 0.00 O ATOM 0 H GLY A 20 3.432 -4.813 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.100 -2.646 -5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.283 -2.721 -7.251 1.00 0.00 H new ATOM 271 N TYR A 21 1.629 -2.264 -4.405 1.00 0.00 N ATOM 272 CA TYR A 21 0.525 -1.468 -3.790 1.00 0.00 C ATOM 273 C TYR A 21 1.009 -0.820 -2.507 1.00 0.00 C ATOM 274 O TYR A 21 0.982 0.389 -2.360 1.00 0.00 O ATOM 275 CB TYR A 21 -0.653 -2.398 -3.484 1.00 0.00 C ATOM 276 CG TYR A 21 -1.617 -1.711 -2.547 1.00 0.00 C ATOM 277 CD1 TYR A 21 -2.346 -0.599 -2.981 1.00 0.00 C ATOM 278 CD2 TYR A 21 -1.766 -2.182 -1.238 1.00 0.00 C ATOM 279 CE1 TYR A 21 -3.228 0.040 -2.106 1.00 0.00 C ATOM 280 CE2 TYR A 21 -2.647 -1.543 -0.363 1.00 0.00 C ATOM 281 CZ TYR A 21 -3.380 -0.430 -0.796 1.00 0.00 C ATOM 282 OH TYR A 21 -4.250 0.202 0.070 1.00 0.00 O ATOM 0 H TYR A 21 2.025 -2.985 -3.802 1.00 0.00 H new ATOM 0 HA TYR A 21 0.209 -0.689 -4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.162 -2.671 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.291 -3.323 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.227 -0.235 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.200 -3.039 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.793 0.897 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.763 -1.907 0.647 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.235 -0.253 0.938 1.00 0.00 H new ATOM 292 N ALA A 22 1.447 -1.620 -1.585 1.00 0.00 N ATOM 293 CA ALA A 22 1.948 -1.086 -0.291 1.00 0.00 C ATOM 294 C ALA A 22 3.121 -0.126 -0.545 1.00 0.00 C ATOM 295 O ALA A 22 3.451 0.693 0.293 1.00 0.00 O ATOM 296 CB ALA A 22 2.398 -2.254 0.571 1.00 0.00 C ATOM 0 H ALA A 22 1.481 -2.636 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 22 1.158 -0.536 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.769 -1.880 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.555 -2.923 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.193 -2.798 0.061 1.00 0.00 H new ATOM 302 N ALA A 23 3.728 -0.201 -1.713 1.00 0.00 N ATOM 303 CA ALA A 23 4.853 0.724 -2.047 1.00 0.00 C ATOM 304 C ALA A 23 4.262 2.057 -2.519 1.00 0.00 C ATOM 305 O ALA A 23 4.821 3.112 -2.290 1.00 0.00 O ATOM 306 CB ALA A 23 5.708 0.114 -3.162 1.00 0.00 C ATOM 0 H ALA A 23 3.487 -0.867 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 23 5.480 0.883 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.528 0.791 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.113 -0.842 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.093 -0.042 -4.048 1.00 0.00 H new ATOM 312 N GLN A 24 3.119 1.999 -3.163 1.00 0.00 N ATOM 313 CA GLN A 24 2.437 3.234 -3.652 1.00 0.00 C ATOM 314 C GLN A 24 1.943 4.044 -2.447 1.00 0.00 C ATOM 315 O GLN A 24 2.222 5.221 -2.322 1.00 0.00 O ATOM 316 CB GLN A 24 1.241 2.826 -4.525 1.00 0.00 C ATOM 317 CG GLN A 24 0.373 4.049 -4.834 1.00 0.00 C ATOM 318 CD GLN A 24 -0.945 3.957 -4.056 1.00 0.00 C ATOM 319 OE1 GLN A 24 -1.768 3.105 -4.329 1.00 0.00 O ATOM 320 NE2 GLN A 24 -1.181 4.807 -3.093 1.00 0.00 N ATOM 0 H GLN A 24 2.625 1.132 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 24 3.129 3.840 -4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.595 2.378 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.647 2.070 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.904 4.962 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.172 4.103 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.491 5.522 -2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.055 4.756 -2.570 1.00 0.00 H new ATOM 329 N ALA A 25 1.207 3.406 -1.565 1.00 0.00 N ATOM 330 CA ALA A 25 0.671 4.102 -0.351 1.00 0.00 C ATOM 331 C ALA A 25 1.821 4.691 0.479 1.00 0.00 C ATOM 332 O ALA A 25 1.677 5.738 1.084 1.00 0.00 O ATOM 333 CB ALA A 25 -0.101 3.096 0.505 1.00 0.00 C ATOM 0 H ALA A 25 0.953 2.421 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 25 0.012 4.910 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.493 3.597 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.927 2.683 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.566 2.290 0.810 1.00 0.00 H new ATOM 339 N ARG A 26 2.957 4.032 0.505 1.00 0.00 N ATOM 340 CA ARG A 26 4.118 4.557 1.288 1.00 0.00 C ATOM 341 C ARG A 26 4.807 5.658 0.479 1.00 0.00 C ATOM 342 O ARG A 26 5.273 6.638 1.025 1.00 0.00 O ATOM 343 CB ARG A 26 5.112 3.425 1.569 1.00 0.00 C ATOM 344 CG ARG A 26 5.635 3.543 3.006 1.00 0.00 C ATOM 345 CD ARG A 26 6.675 4.665 3.087 1.00 0.00 C ATOM 346 NE ARG A 26 6.066 5.864 3.735 1.00 0.00 N ATOM 347 CZ ARG A 26 6.479 6.252 4.914 1.00 0.00 C ATOM 348 NH1 ARG A 26 6.092 5.609 5.985 1.00 0.00 N ATOM 349 NH2 ARG A 26 7.275 7.283 5.020 1.00 0.00 N ATOM 0 H ARG A 26 3.128 3.153 0.017 1.00 0.00 H new ATOM 0 HA ARG A 26 3.766 4.961 2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.628 2.459 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.942 3.473 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.810 3.749 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.080 2.599 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.542 4.331 3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.030 4.919 2.088 1.00 0.00 H new ATOM 0 HE ARG A 26 5.327 6.381 3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.469 4.806 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.413 5.911 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.574 7.785 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.597 7.586 5.939 1.00 0.00 H new ATOM 363 N ALA A 27 4.862 5.499 -0.822 1.00 0.00 N ATOM 364 CA ALA A 27 5.506 6.527 -1.693 1.00 0.00 C ATOM 365 C ALA A 27 4.663 7.810 -1.694 1.00 0.00 C ATOM 366 O ALA A 27 5.179 8.898 -1.871 1.00 0.00 O ATOM 367 CB ALA A 27 5.609 5.976 -3.115 1.00 0.00 C ATOM 0 H ALA A 27 4.484 4.693 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 27 6.501 6.759 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.078 6.719 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.211 5.067 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.611 5.748 -3.490 1.00 0.00 H new ATOM 373 N ARG A 28 3.372 7.689 -1.485 1.00 0.00 N ATOM 374 CA ARG A 28 2.492 8.896 -1.453 1.00 0.00 C ATOM 375 C ARG A 28 2.522 9.493 -0.043 1.00 0.00 C ATOM 376 O ARG A 28 2.518 10.697 0.131 1.00 0.00 O ATOM 377 CB ARG A 28 1.057 8.496 -1.817 1.00 0.00 C ATOM 378 CG ARG A 28 0.312 9.712 -2.380 1.00 0.00 C ATOM 379 CD ARG A 28 -0.551 10.340 -1.282 1.00 0.00 C ATOM 380 NE ARG A 28 -0.536 11.823 -1.424 1.00 0.00 N ATOM 381 CZ ARG A 28 0.032 12.564 -0.508 1.00 0.00 C ATOM 382 NH1 ARG A 28 -0.564 12.751 0.641 1.00 0.00 N ATOM 383 NH2 ARG A 28 1.193 13.119 -0.744 1.00 0.00 N ATOM 0 H ARG A 28 2.891 6.802 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 28 2.848 9.634 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.068 7.691 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.540 8.116 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.025 10.444 -2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.313 9.411 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.573 9.968 -1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.173 10.054 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.969 12.261 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.470 12.319 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.123 13.329 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.655 12.974 -1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.637 13.697 -0.030 1.00 0.00 H new ATOM 397 N GLU A 29 2.571 8.649 0.959 1.00 0.00 N ATOM 398 CA GLU A 29 2.621 9.137 2.371 1.00 0.00 C ATOM 399 C GLU A 29 4.008 9.731 2.647 1.00 0.00 C ATOM 400 O GLU A 29 4.137 10.732 3.328 1.00 0.00 O ATOM 401 CB GLU A 29 2.362 7.969 3.328 1.00 0.00 C ATOM 402 CG GLU A 29 2.233 8.493 4.764 1.00 0.00 C ATOM 403 CD GLU A 29 3.438 8.033 5.592 1.00 0.00 C ATOM 404 OE1 GLU A 29 3.361 6.963 6.171 1.00 0.00 O ATOM 405 OE2 GLU A 29 4.418 8.762 5.634 1.00 0.00 O ATOM 0 H GLU A 29 2.579 7.634 0.857 1.00 0.00 H new ATOM 0 HA GLU A 29 1.858 9.900 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.451 7.445 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.177 7.248 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.176 9.582 4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.310 8.127 5.213 1.00 0.00 H new ATOM 412 N ARG A 30 5.039 9.120 2.109 1.00 0.00 N ATOM 413 CA ARG A 30 6.431 9.633 2.315 1.00 0.00 C ATOM 414 C ARG A 30 6.552 11.047 1.723 1.00 0.00 C ATOM 415 O ARG A 30 7.336 11.853 2.191 1.00 0.00 O ATOM 416 CB ARG A 30 7.432 8.686 1.630 1.00 0.00 C ATOM 417 CG ARG A 30 7.329 8.813 0.107 1.00 0.00 C ATOM 418 CD ARG A 30 8.474 9.684 -0.419 1.00 0.00 C ATOM 419 NE ARG A 30 9.636 8.820 -0.776 1.00 0.00 N ATOM 420 CZ ARG A 30 10.522 8.506 0.133 1.00 0.00 C ATOM 421 NH1 ARG A 30 11.519 9.317 0.379 1.00 0.00 N ATOM 422 NH2 ARG A 30 10.411 7.383 0.794 1.00 0.00 N ATOM 0 H ARG A 30 4.974 8.282 1.532 1.00 0.00 H new ATOM 0 HA ARG A 30 6.652 9.675 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.446 8.922 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.233 7.657 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.370 7.826 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.370 9.253 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.145 10.247 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.768 10.412 0.337 1.00 0.00 H new ATOM 0 HE ARG A 30 9.740 8.474 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.604 10.192 -0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.211 9.074 1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.633 6.752 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.102 7.138 1.503 1.00 0.00 H new ATOM 436 N GLU A 31 5.776 11.353 0.704 1.00 0.00 N ATOM 437 CA GLU A 31 5.829 12.711 0.083 1.00 0.00 C ATOM 438 C GLU A 31 5.305 13.742 1.087 1.00 0.00 C ATOM 439 O GLU A 31 5.963 14.721 1.378 1.00 0.00 O ATOM 440 CB GLU A 31 4.958 12.729 -1.180 1.00 0.00 C ATOM 441 CG GLU A 31 5.299 13.960 -2.028 1.00 0.00 C ATOM 442 CD GLU A 31 4.281 15.075 -1.758 1.00 0.00 C ATOM 443 OE1 GLU A 31 3.202 15.016 -2.324 1.00 0.00 O ATOM 444 OE2 GLU A 31 4.600 15.972 -0.993 1.00 0.00 O ATOM 0 H GLU A 31 5.106 10.713 0.277 1.00 0.00 H new ATOM 0 HA GLU A 31 6.857 12.954 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.122 11.820 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.903 12.746 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.305 14.308 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.293 13.697 -3.086 1.00 0.00 H new ATOM 451 N ARG A 32 4.128 13.517 1.624 1.00 0.00 N ATOM 452 CA ARG A 32 3.549 14.470 2.623 1.00 0.00 C ATOM 453 C ARG A 32 4.352 14.403 3.934 1.00 0.00 C ATOM 454 O ARG A 32 4.406 15.362 4.682 1.00 0.00 O ATOM 455 CB ARG A 32 2.087 14.091 2.890 1.00 0.00 C ATOM 456 CG ARG A 32 1.453 15.085 3.870 1.00 0.00 C ATOM 457 CD ARG A 32 0.894 14.329 5.078 1.00 0.00 C ATOM 458 NE ARG A 32 1.967 14.152 6.098 1.00 0.00 N ATOM 459 CZ ARG A 32 2.185 12.975 6.627 1.00 0.00 C ATOM 460 NH1 ARG A 32 2.613 11.989 5.881 1.00 0.00 N ATOM 461 NH2 ARG A 32 1.975 12.786 7.904 1.00 0.00 N ATOM 0 H ARG A 32 3.542 12.710 1.411 1.00 0.00 H new ATOM 0 HA ARG A 32 3.598 15.486 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.528 14.085 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.034 13.082 3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.195 15.814 4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.656 15.641 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.057 14.879 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.511 13.357 4.766 1.00 0.00 H new ATOM 0 HE ARG A 32 2.533 14.951 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.777 12.137 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.782 11.072 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.642 13.555 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.144 11.870 8.319 1.00 0.00 H new ATOM 475 N LEU A 33 4.971 13.277 4.216 1.00 0.00 N ATOM 476 CA LEU A 33 5.770 13.140 5.473 1.00 0.00 C ATOM 477 C LEU A 33 7.052 13.975 5.366 1.00 0.00 C ATOM 478 O LEU A 33 7.300 14.845 6.181 1.00 0.00 O ATOM 479 CB LEU A 33 6.131 11.665 5.683 1.00 0.00 C ATOM 480 CG LEU A 33 6.566 11.442 7.133 1.00 0.00 C ATOM 481 CD1 LEU A 33 5.331 11.338 8.030 1.00 0.00 C ATOM 482 CD2 LEU A 33 7.376 10.146 7.226 1.00 0.00 C ATOM 0 H LEU A 33 4.955 12.446 3.625 1.00 0.00 H new ATOM 0 HA LEU A 33 5.182 13.497 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.274 11.034 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.933 11.377 5.004 1.00 0.00 H new ATOM 0 HG LEU A 33 7.180 12.281 7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.643 11.179 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.754 12.260 7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.714 10.500 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.687 9.985 8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.761 9.308 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.257 10.221 6.589 1.00 0.00 H new ATOM 494 N ALA A 34 7.863 13.714 4.367 1.00 0.00 N ATOM 495 CA ALA A 34 9.133 14.484 4.191 1.00 0.00 C ATOM 496 C ALA A 34 8.824 15.921 3.763 1.00 0.00 C ATOM 497 O ALA A 34 9.522 16.850 4.127 1.00 0.00 O ATOM 498 CB ALA A 34 9.993 13.810 3.119 1.00 0.00 C ATOM 0 H ALA A 34 7.697 12.995 3.662 1.00 0.00 H new ATOM 0 HA ALA A 34 9.671 14.502 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.919 14.370 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.226 12.791 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.448 13.788 2.176 1.00 0.00 H new ATOM 504 N HIS A 35 7.785 16.098 2.992 1.00 0.00 N ATOM 505 CA HIS A 35 7.405 17.466 2.517 1.00 0.00 C ATOM 506 C HIS A 35 6.176 17.960 3.300 1.00 0.00 C ATOM 507 O HIS A 35 5.940 17.545 4.422 1.00 0.00 O ATOM 508 CB HIS A 35 7.077 17.416 1.015 1.00 0.00 C ATOM 509 CG HIS A 35 8.150 16.666 0.264 1.00 0.00 C ATOM 510 ND1 HIS A 35 7.949 16.186 -1.020 1.00 0.00 N ATOM 511 CD2 HIS A 35 9.433 16.304 0.601 1.00 0.00 C ATOM 512 CE1 HIS A 35 9.081 15.569 -1.406 1.00 0.00 C ATOM 513 NE2 HIS A 35 10.018 15.613 -0.456 1.00 0.00 N ATOM 0 H HIS A 35 7.176 15.348 2.666 1.00 0.00 H new ATOM 0 HA HIS A 35 8.236 18.151 2.682 1.00 0.00 H new ATOM 0 HB2 HIS A 35 6.112 16.931 0.863 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.990 18.429 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.914 16.523 1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.215 15.096 -2.367 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.960 15.224 -0.496 1.00 0.00 H new ATOM 521 N SER A 36 5.395 18.843 2.718 1.00 0.00 N ATOM 522 CA SER A 36 4.181 19.365 3.416 1.00 0.00 C ATOM 523 C SER A 36 2.999 19.372 2.431 1.00 0.00 C ATOM 524 O SER A 36 2.300 20.360 2.282 1.00 0.00 O ATOM 525 CB SER A 36 4.459 20.786 3.922 1.00 0.00 C ATOM 526 OG SER A 36 3.591 21.077 5.010 1.00 0.00 O ATOM 0 H SER A 36 5.550 19.224 1.785 1.00 0.00 H new ATOM 0 HA SER A 36 3.935 18.729 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.499 20.875 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.307 21.507 3.118 1.00 0.00 H new ATOM 0 HG SER A 36 3.768 21.984 5.336 1.00 0.00 H new HETATM 532 N AAR A 37 2.779 18.266 1.755 1.00 0.00 N HETATM 533 CA AAR A 37 1.656 18.183 0.774 1.00 0.00 C HETATM 534 CB AAR A 37 2.152 18.641 -0.605 1.00 0.00 C HETATM 535 CG AAR A 37 0.967 18.762 -1.568 1.00 0.00 C HETATM 536 CD AAR A 37 1.215 17.885 -2.799 1.00 0.00 C HETATM 537 NE AAR A 37 -0.042 17.173 -3.165 1.00 0.00 N HETATM 538 CZ AAR A 37 -0.248 15.951 -2.748 1.00 0.00 C HETATM 539 NH1 AAR A 37 -0.969 15.739 -1.678 1.00 0.00 N HETATM 540 NH2 AAR A 37 0.266 14.941 -3.403 1.00 0.00 N HETATM 541 C AAR A 37 1.155 16.735 0.692 1.00 0.00 C HETATM 542 O AAR A 37 1.813 15.875 0.141 1.00 0.00 O HETATM 543 NT AAR A 37 0.007 16.429 1.227 1.00 0.00 N HETATM 0 HH22 AAR A 37 0.106 13.988 -3.078 1.00 0.00 H new HETATM 0 HH21 AAR A 37 0.827 15.107 -4.238 1.00 0.00 H new HETATM 0 HH12 AAR A 37 -1.130 14.786 -1.352 1.00 0.00 H new HETATM 0 HH11 AAR A 37 -1.370 16.527 -1.169 1.00 0.00 H new HETATM 0 HG3 AAR A 37 0.047 18.455 -1.070 1.00 0.00 H new HETATM 0 HG2 AAR A 37 0.835 19.801 -1.870 1.00 0.00 H new HETATM 0 HE AAR A 37 -0.742 17.639 -3.741 1.00 0.00 H new HETATM 0 HD3 AAR A 37 1.554 18.499 -3.634 1.00 0.00 H new HETATM 0 HD2 AAR A 37 2.006 17.164 -2.592 1.00 0.00 H new HETATM 0 HB3 AAR A 37 2.661 19.601 -0.518 1.00 0.00 H new HETATM 0 HB2 AAR A 37 2.879 17.929 -0.995 1.00 0.00 H new HETATM 0 HA AAR A 37 0.838 18.828 1.096 1.00 0.00 H new HETATM 0 H2 AAR A 37 -0.249 16.206 2.189 1.00 0.00 H new TER 559 AAR A 37