USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 275 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 3 HIS : no HE2:sc= 0.177 K(o=0.27,f=-3!) USER MOD Set 1.2: A 14 HIS : no HE2:sc= -1 K(o=0.27,f=-0.79) USER MOD Set 1.3: A 36 SER OG : rot -61:sc= 1.1 USER MOD Single : A 1 SER N :NH3+ -167:sc= -0.033 (180deg=-0.226) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.0436 K(o=-0.044,f=-1.3) USER MOD Single : A 6 THR OG1 : rot 130:sc= 0.819 USER MOD Single : A 7 GLN : amide:sc=-0.00031 K(o=-0.00031,f=-0.92) USER MOD Single : A 10 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.3!) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0.955 (180deg=0.949) USER MOD Single : A 18 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1.4!) USER MOD Single : A 21 THR OG1 : rot -51:sc= 1.14 USER MOD Single : A 24 THR OG1 : rot 39:sc= 0.369 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.681 12.618 5.884 1.00 49.53 N ATOM 2 CA SER A 1 14.646 12.096 7.244 1.00 50.07 C ATOM 3 C SER A 1 13.219 11.788 7.679 1.00 50.51 C ATOM 4 O SER A 1 12.987 10.888 8.487 1.00 49.49 O ATOM 5 CB SER A 1 15.288 13.083 8.200 1.00 50.05 C ATOM 6 OG SER A 1 14.564 14.280 8.284 1.00 49.34 O ATOM 0 H1 SER A 1 15.661 12.612 5.535 1.00 49.53 H new ATOM 0 H2 SER A 1 14.090 12.023 5.269 1.00 49.53 H new ATOM 0 H3 SER A 1 14.317 13.592 5.877 1.00 49.53 H new ATOM 0 HA SER A 1 15.211 11.164 7.264 1.00 50.07 H new ATOM 0 HB2 SER A 1 15.361 12.633 9.190 1.00 50.05 H new ATOM 0 HB3 SER A 1 16.305 13.297 7.871 1.00 50.05 H new ATOM 0 HG SER A 1 15.009 14.888 8.911 1.00 49.34 H new ATOM 12 N GLN A 2 12.266 12.539 7.140 1.00 49.53 N ATOM 13 CA GLN A 2 10.857 12.330 7.452 1.00 50.07 C ATOM 14 C GLN A 2 10.346 11.030 6.847 1.00 50.51 C ATOM 15 O GLN A 2 10.509 10.782 5.652 1.00 49.49 O ATOM 16 CB GLN A 2 10.015 13.503 6.941 1.00 49.82 C ATOM 17 CG GLN A 2 8.525 13.357 7.194 1.00 49.82 C ATOM 18 CD GLN A 2 7.751 14.612 6.837 1.00 50.55 C ATOM 19 OE1 GLN A 2 8.337 15.664 6.570 1.00 49.45 O ATOM 20 NE2 GLN A 2 6.427 14.509 6.835 1.00 49.38 N ATOM 0 H GLN A 2 12.444 13.299 6.484 1.00 49.53 H new ATOM 0 HA GLN A 2 10.764 12.267 8.536 1.00 50.07 H new ATOM 0 HB2 GLN A 2 10.364 14.420 7.415 1.00 49.82 H new ATOM 0 HB3 GLN A 2 10.181 13.615 5.870 1.00 49.82 H new ATOM 0 HG2 GLN A 2 8.141 12.519 6.612 1.00 49.82 H new ATOM 0 HG3 GLN A 2 8.360 13.118 8.245 1.00 49.82 H new ATOM 0 HE21 GLN A 2 5.984 13.619 7.062 1.00 49.38 H new ATOM 0 HE22 GLN A 2 5.853 15.320 6.606 1.00 49.38 H new ATOM 29 N HIS A 3 9.726 10.199 7.680 1.00 49.53 N ATOM 30 CA HIS A 3 9.197 8.917 7.230 1.00 50.07 C ATOM 31 C HIS A 3 8.235 9.097 6.063 1.00 50.51 C ATOM 32 O HIS A 3 7.301 9.896 6.133 1.00 49.49 O ATOM 33 CB HIS A 3 8.495 8.188 8.380 1.00 49.92 C ATOM 34 CG HIS A 3 8.274 6.730 8.123 1.00 50.22 C ATOM 35 ND1 HIS A 3 7.330 6.267 7.231 1.00 49.30 N ATOM 36 CD2 HIS A 3 8.874 5.632 8.640 1.00 49.95 C ATOM 37 CE1 HIS A 3 7.359 4.946 7.211 1.00 50.25 C ATOM 38 NE2 HIS A 3 8.287 4.536 8.057 1.00 49.64 N ATOM 0 H HIS A 3 9.578 10.391 8.671 1.00 49.53 H new ATOM 0 HA HIS A 3 10.039 8.313 6.891 1.00 50.07 H new ATOM 0 HB2 HIS A 3 9.089 8.302 9.287 1.00 49.92 H new ATOM 0 HB3 HIS A 3 7.533 8.665 8.567 1.00 49.92 H new ATOM 0 HD1 HIS A 3 6.707 6.852 6.674 1.00 49.30 H new ATOM 0 HD2 HIS A 3 9.666 5.620 9.374 1.00 49.95 H new ATOM 0 HE1 HIS A 3 6.731 4.310 6.606 1.00 50.25 H new ATOM 46 N GLY A 4 8.468 8.350 4.990 1.00 49.53 N ATOM 47 CA GLY A 4 7.655 8.464 3.785 1.00 49.98 C ATOM 48 C GLY A 4 6.476 7.500 3.823 1.00 50.51 C ATOM 49 O GLY A 4 6.025 7.098 4.896 1.00 49.49 O ATOM 0 H GLY A 4 9.215 7.658 4.930 1.00 49.53 H new ATOM 0 HA2 GLY A 4 7.289 9.486 3.685 1.00 49.98 H new ATOM 0 HA3 GLY A 4 8.269 8.258 2.908 1.00 49.98 H new ATOM 53 N ARG A 5 5.980 7.132 2.647 1.00 49.53 N ATOM 54 CA ARG A 5 4.860 6.203 2.544 1.00 50.07 C ATOM 55 C ARG A 5 5.347 4.767 2.405 1.00 50.51 C ATOM 56 O ARG A 5 6.353 4.503 1.747 1.00 49.49 O ATOM 57 CB ARG A 5 3.906 6.579 1.420 1.00 49.82 C ATOM 58 CG ARG A 5 2.648 5.729 1.340 1.00 49.82 C ATOM 59 CD ARG A 5 1.590 6.283 0.457 1.00 50.20 C ATOM 60 NE ARG A 5 1.919 6.273 -0.959 1.00 49.30 N ATOM 61 CZ ARG A 5 1.103 6.705 -1.939 1.00 50.64 C ATOM 62 NH1 ARG A 5 -0.106 7.147 -1.668 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 1.539 6.652 -3.186 1.00 49.20 N ATOM 0 H ARG A 5 6.336 7.463 1.750 1.00 49.53 H new ATOM 0 HA ARG A 5 4.296 6.275 3.474 1.00 50.07 H new ATOM 0 HB2 ARG A 5 3.615 7.622 1.543 1.00 49.82 H new ATOM 0 HB3 ARG A 5 4.438 6.506 0.471 1.00 49.82 H new ATOM 0 HG2 ARG A 5 2.918 4.735 0.984 1.00 49.82 H new ATOM 0 HG3 ARG A 5 2.241 5.609 2.344 1.00 49.82 H new ATOM 0 HD2 ARG A 5 0.673 5.713 0.608 1.00 50.20 H new ATOM 0 HD3 ARG A 5 1.381 7.309 0.761 1.00 50.20 H new ATOM 0 HE ARG A 5 2.834 5.913 -1.230 1.00 49.30 H new ATOM 0 HH11 ARG A 5 -0.438 7.166 -0.704 1.00 49.20 H new ATOM 0 HH12 ARG A 5 -0.712 7.471 -2.422 1.00 49.20 H new ATOM 0 HH21 ARG A 5 2.472 6.291 -3.385 1.00 49.20 H new ATOM 0 HH22 ARG A 5 0.943 6.972 -3.949 1.00 49.20 H new ATOM 77 N THR A 6 4.627 3.841 3.030 1.00 49.53 N ATOM 78 CA THR A 6 5.019 2.436 3.030 1.00 50.07 C ATOM 79 C THR A 6 5.127 1.895 1.610 1.00 50.51 C ATOM 80 O THR A 6 6.040 1.133 1.294 1.00 49.49 O ATOM 81 CB THR A 6 4.023 1.571 3.823 1.00 50.14 C ATOM 82 OG1 THR A 6 3.987 2.009 5.188 1.00 49.34 O ATOM 83 CG2 THR A 6 4.431 0.107 3.775 1.00 49.73 C ATOM 0 H THR A 6 3.768 4.039 3.543 1.00 49.53 H new ATOM 0 HA THR A 6 5.995 2.383 3.512 1.00 50.07 H new ATOM 0 HB THR A 6 3.036 1.677 3.374 1.00 50.14 H new ATOM 0 HG1 THR A 6 3.056 2.140 5.465 1.00 49.34 H new ATOM 0 HG21 THR A 6 3.715 -0.489 4.341 1.00 49.73 H new ATOM 0 HG22 THR A 6 4.447 -0.232 2.739 1.00 49.73 H new ATOM 0 HG23 THR A 6 5.424 -0.009 4.210 1.00 49.73 H new ATOM 91 N GLN A 7 4.189 2.294 0.758 1.00 49.53 N ATOM 92 CA GLN A 7 4.144 1.803 -0.616 1.00 50.07 C ATOM 93 C GLN A 7 5.229 2.449 -1.466 1.00 50.51 C ATOM 94 O GLN A 7 5.858 1.788 -2.294 1.00 49.49 O ATOM 95 CB GLN A 7 2.770 2.075 -1.236 1.00 49.82 C ATOM 96 CG GLN A 7 1.644 1.247 -0.641 1.00 49.82 C ATOM 97 CD GLN A 7 0.298 1.571 -1.262 1.00 50.55 C ATOM 98 OE1 GLN A 7 0.169 2.521 -2.038 1.00 49.45 O ATOM 99 NE2 GLN A 7 -0.715 0.783 -0.919 1.00 49.38 N ATOM 0 H GLN A 7 3.449 2.956 0.994 1.00 49.53 H new ATOM 0 HA GLN A 7 4.320 0.728 -0.591 1.00 50.07 H new ATOM 0 HB2 GLN A 7 2.532 3.132 -1.115 1.00 49.82 H new ATOM 0 HB3 GLN A 7 2.822 1.881 -2.307 1.00 49.82 H new ATOM 0 HG2 GLN A 7 1.861 0.188 -0.783 1.00 49.82 H new ATOM 0 HG3 GLN A 7 1.597 1.422 0.434 1.00 49.82 H new ATOM 0 HE21 GLN A 7 -0.562 0.008 -0.273 1.00 49.38 H new ATOM 0 HE22 GLN A 7 -1.645 0.953 -1.301 1.00 49.38 H new ATOM 108 N ASP A 8 5.445 3.743 -1.260 1.00 49.53 N ATOM 109 CA ASP A 8 6.388 4.503 -2.073 1.00 50.07 C ATOM 110 C ASP A 8 7.825 4.089 -1.780 1.00 50.51 C ATOM 111 O ASP A 8 8.600 3.810 -2.694 1.00 49.49 O ATOM 112 CB ASP A 8 6.214 6.004 -1.836 1.00 49.72 C ATOM 113 CG ASP A 8 4.962 6.599 -2.465 1.00 50.62 C ATOM 114 OD1 ASP A 8 4.319 5.915 -3.225 1.00 49.24 O ATOM 115 OD2 ASP A 8 4.571 7.669 -2.064 1.00 49.24 O1- ATOM 0 H ASP A 8 4.979 4.289 -0.535 1.00 49.53 H new ATOM 0 HA ASP A 8 6.177 4.285 -3.120 1.00 50.07 H new ATOM 0 HB2 ASP A 8 6.190 6.189 -0.762 1.00 49.72 H new ATOM 0 HB3 ASP A 8 7.087 6.525 -2.230 1.00 49.72 H new ATOM 120 N GLU A 9 8.175 4.053 -0.499 1.00 49.53 N ATOM 121 CA GLU A 9 9.570 3.957 -0.088 1.00 50.07 C ATOM 122 C GLU A 9 9.996 2.504 0.078 1.00 50.51 C ATOM 123 O GLU A 9 9.172 1.633 0.358 1.00 49.49 O ATOM 124 CB GLU A 9 9.799 4.724 1.217 1.00 49.82 C ATOM 125 CG GLU A 9 9.486 6.212 1.134 1.00 49.72 C ATOM 126 CD GLU A 9 10.318 6.888 0.081 1.00 50.62 C ATOM 127 OE1 GLU A 9 11.510 6.701 0.083 1.00 49.24 O ATOM 128 OE2 GLU A 9 9.750 7.499 -0.794 1.00 49.24 O1- ATOM 0 H GLU A 9 7.510 4.089 0.274 1.00 49.53 H new ATOM 0 HA GLU A 9 10.180 4.404 -0.873 1.00 50.07 H new ATOM 0 HB2 GLU A 9 9.184 4.279 1.999 1.00 49.82 H new ATOM 0 HB3 GLU A 9 10.839 4.600 1.520 1.00 49.82 H new ATOM 0 HG2 GLU A 9 8.428 6.351 0.910 1.00 49.72 H new ATOM 0 HG3 GLU A 9 9.671 6.679 2.101 1.00 49.72 H new ATOM 135 N ASN A 10 11.289 2.248 -0.096 1.00 49.53 N ATOM 136 CA ASN A 10 11.832 0.905 0.068 1.00 50.07 C ATOM 137 C ASN A 10 11.947 0.534 1.541 1.00 50.51 C ATOM 138 O ASN A 10 12.144 1.398 2.395 1.00 49.49 O ATOM 139 CB ASN A 10 13.181 0.765 -0.614 1.00 49.82 C ATOM 140 CG ASN A 10 13.100 0.754 -2.116 1.00 50.55 C ATOM 141 OD1 ASN A 10 12.056 0.441 -2.700 1.00 49.45 O ATOM 142 ND2 ASN A 10 14.219 1.013 -2.743 1.00 49.38 N ATOM 0 H ASN A 10 11.980 2.954 -0.351 1.00 49.53 H new ATOM 0 HA ASN A 10 11.135 0.216 -0.409 1.00 50.07 H new ATOM 0 HB2 ASN A 10 13.824 1.587 -0.300 1.00 49.82 H new ATOM 0 HB3 ASN A 10 13.655 -0.157 -0.278 1.00 49.82 H new ATOM 0 HD21 ASN A 10 14.257 0.961 -3.761 1.00 49.38 H new ATOM 0 HD22 ASN A 10 15.053 1.267 -2.214 1.00 49.38 H new ATOM 149 N PRO A 11 11.824 -0.756 1.832 1.00 49.71 N ATOM 150 CA PRO A 11 11.971 -1.253 3.195 1.00 50.02 C ATOM 151 C PRO A 11 13.376 -0.996 3.726 1.00 50.51 C ATOM 152 O PRO A 11 13.585 -0.894 4.935 1.00 49.49 O ATOM 153 CB PRO A 11 11.660 -2.754 3.085 1.00 49.82 C ATOM 154 CG PRO A 11 11.914 -3.098 1.643 1.00 49.82 C ATOM 155 CD PRO A 11 11.530 -1.834 0.878 1.00 50.00 C ATOM 0 HA PRO A 11 11.308 -0.752 3.900 1.00 50.02 H new ATOM 0 HB2 PRO A 11 12.297 -3.339 3.749 1.00 49.82 H new ATOM 0 HB3 PRO A 11 10.628 -2.965 3.366 1.00 49.82 H new ATOM 0 HG2 PRO A 11 12.958 -3.362 1.475 1.00 49.82 H new ATOM 0 HG3 PRO A 11 11.315 -3.952 1.327 1.00 49.82 H new ATOM 0 HD2 PRO A 11 12.109 -1.728 -0.039 1.00 50.00 H new ATOM 0 HD3 PRO A 11 10.478 -1.841 0.592 1.00 50.00 H new ATOM 163 N VAL A 12 14.337 -0.891 2.814 1.00 49.53 N ATOM 164 CA VAL A 12 15.698 -0.512 3.176 1.00 50.07 C ATOM 165 C VAL A 12 15.772 0.956 3.578 1.00 50.51 C ATOM 166 O VAL A 12 16.470 1.314 4.527 1.00 49.49 O ATOM 167 CB VAL A 12 16.682 -0.767 2.020 1.00 49.91 C ATOM 168 CG1 VAL A 12 18.055 -0.202 2.354 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.779 -2.256 1.721 1.00 49.73 C ATOM 0 H VAL A 12 14.198 -1.063 1.818 1.00 49.53 H new ATOM 0 HA VAL A 12 15.982 -1.133 4.026 1.00 50.07 H new ATOM 0 HB VAL A 12 16.307 -0.260 1.131 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.738 -0.391 1.526 1.00 49.73 H new ATOM 0 HG12 VAL A 12 17.976 0.872 2.521 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.436 -0.682 3.255 1.00 49.73 H new ATOM 0 HG21 VAL A 12 17.479 -2.418 0.901 1.00 49.73 H new ATOM 0 HG22 VAL A 12 17.131 -2.783 2.608 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.797 -2.635 1.439 1.00 49.73 H new ATOM 179 N VAL A 13 15.048 1.800 2.852 1.00 49.53 N ATOM 180 CA VAL A 13 14.935 3.211 3.205 1.00 50.07 C ATOM 181 C VAL A 13 14.231 3.390 4.544 1.00 50.51 C ATOM 182 O VAL A 13 14.616 4.235 5.350 1.00 49.49 O ATOM 183 CB VAL A 13 14.172 4.003 2.125 1.00 49.91 C ATOM 184 CG1 VAL A 13 13.889 5.419 2.606 1.00 49.73 C ATOM 185 CG2 VAL A 13 14.963 4.031 0.827 1.00 49.73 C ATOM 0 H VAL A 13 14.530 1.532 2.015 1.00 49.53 H new ATOM 0 HA VAL A 13 15.951 3.599 3.279 1.00 50.07 H new ATOM 0 HB VAL A 13 13.221 3.504 1.938 1.00 49.91 H new ATOM 0 HG11 VAL A 13 13.350 5.965 1.832 1.00 49.73 H new ATOM 0 HG12 VAL A 13 13.284 5.381 3.512 1.00 49.73 H new ATOM 0 HG13 VAL A 13 14.830 5.926 2.819 1.00 49.73 H new ATOM 0 HG21 VAL A 13 14.409 4.594 0.076 1.00 49.73 H new ATOM 0 HG22 VAL A 13 15.928 4.507 0.999 1.00 49.73 H new ATOM 0 HG23 VAL A 13 15.119 3.012 0.474 1.00 49.73 H new ATOM 195 N HIS A 14 13.197 2.587 4.774 1.00 49.53 N ATOM 196 CA HIS A 14 12.477 2.611 6.043 1.00 50.07 C ATOM 197 C HIS A 14 13.398 2.263 7.205 1.00 50.51 C ATOM 198 O HIS A 14 13.404 2.946 8.229 1.00 49.49 O ATOM 199 CB HIS A 14 11.288 1.645 6.009 1.00 49.92 C ATOM 200 CG HIS A 14 10.159 2.110 5.143 1.00 50.22 C ATOM 201 ND1 HIS A 14 9.537 3.328 5.325 1.00 49.30 N ATOM 202 CD2 HIS A 14 9.539 1.523 4.094 1.00 49.95 C ATOM 203 CE1 HIS A 14 8.582 3.469 4.421 1.00 50.25 C ATOM 204 NE2 HIS A 14 8.563 2.388 3.663 1.00 49.64 N ATOM 0 H HIS A 14 12.839 1.912 4.099 1.00 49.53 H new ATOM 0 HA HIS A 14 12.104 3.624 6.192 1.00 50.07 H new ATOM 0 HB2 HIS A 14 11.631 0.673 5.653 1.00 49.92 H new ATOM 0 HB3 HIS A 14 10.919 1.501 7.025 1.00 49.92 H new ATOM 0 HD1 HIS A 14 9.776 4.012 6.043 1.00 49.30 H new ATOM 0 HD2 HIS A 14 9.768 0.555 3.674 1.00 49.95 H new ATOM 0 HE1 HIS A 14 7.929 4.323 4.320 1.00 50.25 H new ATOM 212 N PHE A 15 14.175 1.198 7.040 1.00 49.53 N ATOM 213 CA PHE A 15 15.160 0.807 8.040 1.00 50.07 C ATOM 214 C PHE A 15 16.125 1.947 8.339 1.00 50.51 C ATOM 215 O PHE A 15 16.327 2.315 9.496 1.00 49.49 O ATOM 216 CB PHE A 15 15.933 -0.428 7.573 1.00 49.82 C ATOM 217 CG PHE A 15 16.992 -0.882 8.538 1.00 50.00 C ATOM 218 CD1 PHE A 15 16.656 -1.621 9.662 1.00 49.88 C ATOM 219 CD2 PHE A 15 18.327 -0.568 8.324 1.00 49.88 C ATOM 220 CE1 PHE A 15 17.628 -2.038 10.550 1.00 49.88 C ATOM 221 CE2 PHE A 15 19.301 -0.984 9.210 1.00 49.88 C ATOM 222 CZ PHE A 15 18.951 -1.720 10.325 1.00 49.88 C ATOM 0 H PHE A 15 14.141 0.590 6.222 1.00 49.53 H new ATOM 0 HA PHE A 15 14.625 0.565 8.959 1.00 50.07 H new ATOM 0 HB2 PHE A 15 15.230 -1.245 7.409 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.399 -0.211 6.612 1.00 49.82 H new ATOM 0 HD1 PHE A 15 15.622 -1.873 9.845 1.00 49.88 H new ATOM 0 HD2 PHE A 15 18.607 0.008 7.455 1.00 49.88 H new ATOM 0 HE1 PHE A 15 17.352 -2.613 11.421 1.00 49.88 H new ATOM 0 HE2 PHE A 15 20.336 -0.734 9.031 1.00 49.88 H new ATOM 0 HZ PHE A 15 19.712 -2.046 11.019 1.00 49.88 H new ATOM 232 N PHE A 16 16.719 2.503 7.288 1.00 49.53 N ATOM 233 CA PHE A 16 17.671 3.598 7.437 1.00 50.07 C ATOM 234 C PHE A 16 17.089 4.723 8.284 1.00 50.51 C ATOM 235 O PHE A 16 17.717 5.183 9.237 1.00 49.49 O ATOM 236 CB PHE A 16 18.087 4.133 6.066 1.00 49.82 C ATOM 237 CG PHE A 16 18.973 5.345 6.132 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.332 5.217 6.379 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.449 6.616 5.950 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.147 6.331 6.440 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.262 7.732 6.010 1.00 49.88 C ATOM 242 CZ PHE A 16 20.612 7.588 6.255 1.00 49.88 C ATOM 0 H PHE A 16 16.558 2.213 6.323 1.00 49.53 H new ATOM 0 HA PHE A 16 18.551 3.208 7.948 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.606 3.345 5.521 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.192 4.379 5.495 1.00 49.82 H new ATOM 0 HD1 PHE A 16 20.758 4.235 6.525 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.393 6.735 5.759 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.204 6.217 6.633 1.00 49.88 H new ATOM 0 HE2 PHE A 16 18.841 8.716 5.865 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.249 8.459 6.302 1.00 49.88 H new ATOM 252 N LYS A 17 15.885 5.161 7.930 1.00 49.53 N ATOM 253 CA LYS A 17 15.244 6.274 8.618 1.00 50.07 C ATOM 254 C LYS A 17 14.901 5.909 10.057 1.00 50.51 C ATOM 255 O LYS A 17 14.880 6.769 10.937 1.00 49.49 O ATOM 256 CB LYS A 17 13.981 6.709 7.871 1.00 49.82 C ATOM 257 CG LYS A 17 14.245 7.438 6.561 1.00 49.82 C ATOM 258 CD LYS A 17 12.947 7.872 5.897 1.00 49.82 C ATOM 259 CE LYS A 17 13.211 8.622 4.600 1.00 50.21 C ATOM 260 NZ LYS A 17 11.949 8.984 3.900 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.334 4.761 7.170 1.00 49.53 H new ATOM 0 HA LYS A 17 15.949 7.105 8.636 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.373 5.828 7.666 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.394 7.357 8.522 1.00 49.82 H new ATOM 0 HG2 LYS A 17 14.870 8.311 6.748 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.801 6.787 5.886 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.330 6.997 5.694 1.00 49.82 H new ATOM 0 HD3 LYS A 17 12.383 8.508 6.579 1.00 49.82 H new ATOM 0 HE2 LYS A 17 13.780 9.527 4.814 1.00 50.21 H new ATOM 0 HE3 LYS A 17 13.826 8.006 3.944 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 12.174 9.448 2.997 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 11.394 8.124 3.718 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 11.396 9.634 4.495 1.00 49.70 H new ATOM 274 N ASN A 18 14.633 4.629 10.290 1.00 49.53 N ATOM 275 CA ASN A 18 14.303 4.146 11.625 1.00 50.07 C ATOM 276 C ASN A 18 15.537 4.105 12.517 1.00 50.51 C ATOM 277 O ASN A 18 15.429 3.971 13.736 1.00 49.49 O ATOM 278 CB ASN A 18 13.647 2.778 11.574 1.00 49.82 C ATOM 279 CG ASN A 18 12.225 2.807 11.087 1.00 50.55 C ATOM 280 OD1 ASN A 18 11.553 3.843 11.133 1.00 49.45 O ATOM 281 ND2 ASN A 18 11.738 1.656 10.697 1.00 49.38 N ATOM 0 H ASN A 18 14.638 3.906 9.570 1.00 49.53 H new ATOM 0 HA ASN A 18 13.590 4.850 12.054 1.00 50.07 H new ATOM 0 HB2 ASN A 18 14.232 2.129 10.922 1.00 49.82 H new ATOM 0 HB3 ASN A 18 13.672 2.336 12.570 1.00 49.82 H new ATOM 0 HD21 ASN A 18 10.761 1.586 10.413 1.00 49.38 H new ATOM 0 HD22 ASN A 18 12.336 0.830 10.677 1.00 49.38 H new ATOM 288 N ILE A 19 16.710 4.222 11.903 1.00 49.53 N ATOM 289 CA ILE A 19 17.964 4.260 12.646 1.00 50.07 C ATOM 290 C ILE A 19 18.385 5.693 12.942 1.00 50.51 C ATOM 291 O ILE A 19 18.786 6.015 14.061 1.00 49.49 O ATOM 292 CB ILE A 19 19.095 3.550 11.881 1.00 49.91 C ATOM 293 CG1 ILE A 19 18.745 2.077 11.657 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.410 3.678 12.635 1.00 49.73 C ATOM 295 CD1 ILE A 19 18.495 1.307 12.934 1.00 49.73 C ATOM 0 H ILE A 19 16.818 4.292 10.891 1.00 49.53 H new ATOM 0 HA ILE A 19 17.789 3.735 13.585 1.00 50.07 H new ATOM 0 HB ILE A 19 19.209 4.029 10.909 1.00 49.91 H new ATOM 0 HG12 ILE A 19 17.857 2.016 11.028 1.00 49.82 H new ATOM 0 HG13 ILE A 19 19.558 1.600 11.109 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.199 3.170 12.080 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.665 4.732 12.746 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.310 3.224 13.621 1.00 49.73 H new ATOM 0 HD11 ILE A 19 18.253 0.272 12.693 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.389 1.335 13.557 1.00 49.73 H new ATOM 0 HD13 ILE A 19 17.662 1.758 13.474 1.00 49.73 H new ATOM 307 N VAL A 20 18.292 6.553 11.932 1.00 49.53 N ATOM 308 CA VAL A 20 18.832 7.904 12.025 1.00 50.07 C ATOM 309 C VAL A 20 17.816 8.863 12.633 1.00 50.51 C ATOM 310 O VAL A 20 18.175 9.931 13.128 1.00 49.49 O ATOM 311 CB VAL A 20 19.264 8.436 10.645 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.341 7.545 10.044 1.00 49.73 C ATOM 313 CG2 VAL A 20 18.066 8.526 9.711 1.00 49.73 C ATOM 0 H VAL A 20 17.847 6.337 11.040 1.00 49.53 H new ATOM 0 HA VAL A 20 19.707 7.849 12.673 1.00 50.07 H new ATOM 0 HB VAL A 20 19.677 9.436 10.775 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.634 7.935 9.070 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.208 7.527 10.704 1.00 49.73 H new ATOM 0 HG13 VAL A 20 19.953 6.533 9.928 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.389 8.904 8.741 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.626 7.536 9.587 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.324 9.203 10.135 1.00 49.73 H new ATOM 323 N THR A 21 16.546 8.475 12.591 1.00 49.53 N ATOM 324 CA THR A 21 15.498 9.207 13.293 1.00 50.07 C ATOM 325 C THR A 21 14.647 8.273 14.143 1.00 50.51 C ATOM 326 O THR A 21 14.668 7.057 13.956 1.00 49.49 O ATOM 327 CB THR A 21 14.585 9.965 12.311 1.00 50.14 C ATOM 328 OG1 THR A 21 13.973 9.034 11.407 1.00 49.34 O ATOM 329 CG2 THR A 21 15.385 10.985 11.516 1.00 49.73 C ATOM 0 H THR A 21 16.217 7.657 12.078 1.00 49.53 H new ATOM 0 HA THR A 21 15.998 9.927 13.941 1.00 50.07 H new ATOM 0 HB THR A 21 13.817 10.487 12.883 1.00 50.14 H new ATOM 0 HG1 THR A 21 14.663 8.465 11.007 1.00 49.34 H new ATOM 0 HG21 THR A 21 14.723 11.510 10.828 1.00 49.73 H new ATOM 0 HG22 THR A 21 15.841 11.702 12.199 1.00 49.73 H new ATOM 0 HG23 THR A 21 16.165 10.475 10.951 1.00 49.73 H new ATOM 337 N PRO A 22 13.900 8.849 15.078 1.00 49.71 N ATOM 338 CA PRO A 22 13.047 8.068 15.966 1.00 50.02 C ATOM 339 C PRO A 22 12.109 7.165 15.174 1.00 50.51 C ATOM 340 O PRO A 22 11.492 7.595 14.201 1.00 49.49 O ATOM 341 CB PRO A 22 12.282 9.125 16.779 1.00 49.82 C ATOM 342 CG PRO A 22 13.187 10.326 16.802 1.00 49.82 C ATOM 343 CD PRO A 22 13.669 10.293 15.215 1.00 50.00 C ATOM 0 HA PRO A 22 13.612 7.393 16.608 1.00 50.02 H new ATOM 0 HB2 PRO A 22 11.324 9.361 16.317 1.00 49.82 H new ATOM 0 HB3 PRO A 22 12.070 8.770 17.788 1.00 49.82 H new ATOM 0 HG2 PRO A 22 12.665 11.245 17.068 1.00 49.82 H new ATOM 0 HG3 PRO A 22 14.017 10.218 17.500 1.00 49.82 H new ATOM 0 HD2 PRO A 22 12.903 10.664 14.534 1.00 50.00 H new ATOM 0 HD3 PRO A 22 14.568 10.883 15.035 1.00 50.00 H new ATOM 351 N ARG A 23 12.007 5.909 15.599 1.00 49.53 N ATOM 352 CA ARG A 23 11.166 4.935 14.915 1.00 50.07 C ATOM 353 C ARG A 23 9.765 5.485 14.679 1.00 50.51 C ATOM 354 O ARG A 23 9.056 5.830 15.625 1.00 49.49 O ATOM 355 CB ARG A 23 11.124 3.599 15.642 1.00 49.82 C ATOM 356 CG ARG A 23 12.433 2.824 15.630 1.00 49.82 C ATOM 357 CD ARG A 23 12.378 1.521 16.341 1.00 50.20 C ATOM 358 NE ARG A 23 12.257 1.627 17.785 1.00 49.30 N ATOM 359 CZ ARG A 23 12.057 0.584 18.615 1.00 50.64 C ATOM 360 NH1 ARG A 23 11.917 -0.637 18.147 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 11.980 0.824 19.912 1.00 49.20 N ATOM 0 H ARG A 23 12.497 5.543 16.415 1.00 49.53 H new ATOM 0 HA ARG A 23 11.621 4.749 13.942 1.00 50.07 H new ATOM 0 HB2 ARG A 23 10.831 3.774 16.677 1.00 49.82 H new ATOM 0 HB3 ARG A 23 10.348 2.980 15.191 1.00 49.82 H new ATOM 0 HG2 ARG A 23 12.728 2.648 14.596 1.00 49.82 H new ATOM 0 HG3 ARG A 23 13.210 3.439 16.083 1.00 49.82 H new ATOM 0 HD2 ARG A 23 11.533 0.949 15.959 1.00 50.20 H new ATOM 0 HD3 ARG A 23 13.279 0.955 16.105 1.00 50.20 H new ATOM 0 HE ARG A 23 12.328 2.556 18.200 1.00 49.30 H new ATOM 0 HH11 ARG A 23 11.959 -0.806 17.142 1.00 49.20 H new ATOM 0 HH12 ARG A 23 11.766 -1.415 18.789 1.00 49.20 H new ATOM 0 HH21 ARG A 23 12.071 1.778 20.260 1.00 49.20 H new ATOM 0 HH22 ARG A 23 11.829 0.055 20.565 1.00 49.20 H new ATOM 375 N THR A 24 9.371 5.567 13.412 1.00 49.53 N ATOM 376 CA THR A 24 8.078 6.132 13.047 1.00 50.07 C ATOM 377 C THR A 24 7.181 5.084 12.401 1.00 50.51 C ATOM 378 O THR A 24 7.522 4.515 11.364 1.00 49.49 O ATOM 379 CB THR A 24 8.234 7.323 12.084 1.00 50.14 C ATOM 380 OG1 THR A 24 9.002 8.355 12.715 1.00 49.34 O ATOM 381 CG2 THR A 24 6.872 7.876 11.695 1.00 49.73 C ATOM 0 H THR A 24 9.930 5.249 12.620 1.00 49.53 H new ATOM 0 HA THR A 24 7.616 6.481 13.971 1.00 50.07 H new ATOM 0 HB THR A 24 8.746 6.979 11.185 1.00 50.14 H new ATOM 0 HG1 THR A 24 9.725 7.951 13.239 1.00 49.34 H new ATOM 0 HG21 THR A 24 7.002 8.717 11.014 1.00 49.73 H new ATOM 0 HG22 THR A 24 6.290 7.097 11.203 1.00 49.73 H new ATOM 0 HG23 THR A 24 6.346 8.211 12.589 1.00 49.73 H new ATOM 389 N PRO A 25 6.034 4.831 13.021 1.00 49.71 N ATOM 390 CA PRO A 25 5.096 3.831 12.522 1.00 50.02 C ATOM 391 C PRO A 25 4.723 4.104 11.070 1.00 50.51 C ATOM 392 O PRO A 25 4.183 5.161 10.745 1.00 49.49 O ATOM 393 CB PRO A 25 3.885 3.950 13.461 1.00 49.82 C ATOM 394 CG PRO A 25 4.447 4.475 14.754 1.00 49.82 C ATOM 395 CD PRO A 25 5.474 5.609 14.134 1.00 50.00 C ATOM 0 HA PRO A 25 5.513 2.824 12.522 1.00 50.02 H new ATOM 0 HB2 PRO A 25 3.134 4.627 13.053 1.00 49.82 H new ATOM 0 HB3 PRO A 25 3.400 2.984 13.604 1.00 49.82 H new ATOM 0 HG2 PRO A 25 3.684 4.905 15.403 1.00 49.82 H new ATOM 0 HG3 PRO A 25 4.963 3.709 15.333 1.00 49.82 H new ATOM 0 HD2 PRO A 25 4.956 6.508 13.800 1.00 50.00 H new ATOM 0 HD3 PRO A 25 6.233 5.926 14.850 1.00 50.00 H new ATOM 403 N PRO A 26 5.015 3.143 10.200 1.00 49.71 N ATOM 404 CA PRO A 26 4.646 3.246 8.793 1.00 50.02 C ATOM 405 C PRO A 26 3.149 3.472 8.631 1.00 50.51 C ATOM 406 O PRO A 26 2.344 2.933 9.391 1.00 49.49 O ATOM 407 CB PRO A 26 5.097 1.906 8.187 1.00 49.82 C ATOM 408 CG PRO A 26 6.181 1.411 9.104 1.00 49.82 C ATOM 409 CD PRO A 26 5.578 1.828 10.531 1.00 50.00 C ATOM 0 HA PRO A 26 5.114 4.096 8.296 1.00 50.02 H new ATOM 0 HB2 PRO A 26 4.270 1.198 8.135 1.00 49.82 H new ATOM 0 HB3 PRO A 26 5.469 2.037 7.171 1.00 49.82 H new ATOM 0 HG2 PRO A 26 6.336 0.335 9.019 1.00 49.82 H new ATOM 0 HG3 PRO A 26 7.141 1.888 8.905 1.00 49.82 H new ATOM 0 HD2 PRO A 26 4.821 1.128 10.883 1.00 50.00 H new ATOM 0 HD3 PRO A 26 6.343 1.886 11.305 1.00 50.00 H new ATOM 417 N PRO A 27 2.781 4.273 7.637 1.00 49.71 N ATOM 418 CA PRO A 27 1.377 4.548 7.353 1.00 50.02 C ATOM 419 C PRO A 27 0.689 3.332 6.747 1.00 50.51 C ATOM 420 O PRO A 27 1.336 2.478 6.140 1.00 49.49 O ATOM 421 CB PRO A 27 1.416 5.736 6.379 1.00 49.82 C ATOM 422 CG PRO A 27 2.732 5.606 5.660 1.00 49.82 C ATOM 423 CD PRO A 27 3.682 5.133 6.858 1.00 50.00 C ATOM 0 HA PRO A 27 0.802 4.777 8.250 1.00 50.02 H new ATOM 0 HB2 PRO A 27 0.580 5.702 5.681 1.00 49.82 H new ATOM 0 HB3 PRO A 27 1.349 6.685 6.911 1.00 49.82 H new ATOM 0 HG2 PRO A 27 2.691 4.876 4.852 1.00 49.82 H new ATOM 0 HG3 PRO A 27 3.058 6.549 5.221 1.00 49.82 H new ATOM 0 HD2 PRO A 27 4.555 4.589 6.497 1.00 50.00 H new ATOM 0 HD3 PRO A 27 4.051 5.975 7.444 1.00 50.00 H new ATOM 431 N SER A 28 -0.627 3.257 6.916 1.00 49.53 N ATOM 432 CA SER A 28 -1.409 2.157 6.368 1.00 50.07 C ATOM 433 C SER A 28 -1.589 2.306 4.862 1.00 50.51 C ATOM 434 O SER A 28 -1.324 3.365 4.297 1.00 49.49 O ATOM 435 CB SER A 28 -2.758 2.080 7.056 1.00 50.05 C ATOM 436 OG SER A 28 -3.567 3.183 6.752 1.00 49.34 O ATOM 0 H SER A 28 -1.175 3.947 7.430 1.00 49.53 H new ATOM 0 HA SER A 28 -0.865 1.230 6.551 1.00 50.07 H new ATOM 0 HB2 SER A 28 -3.266 1.164 6.755 1.00 50.05 H new ATOM 0 HB3 SER A 28 -2.612 2.024 8.135 1.00 50.05 H new ATOM 0 HG SER A 28 -4.427 3.095 7.213 1.00 49.34 H new ATOM 442 N GLN A 29 -2.042 1.236 4.218 1.00 49.53 N ATOM 443 CA GLN A 29 -2.226 1.234 2.771 1.00 50.07 C ATOM 444 C GLN A 29 -3.477 2.007 2.374 1.00 50.51 C ATOM 445 O GLN A 29 -4.491 1.967 3.071 1.00 49.49 O ATOM 446 CB GLN A 29 -2.317 -0.200 2.243 1.00 49.82 C ATOM 447 CG GLN A 29 -1.024 -0.989 2.358 1.00 49.82 C ATOM 448 CD GLN A 29 -1.158 -2.401 1.820 1.00 50.55 C ATOM 449 OE1 GLN A 29 -2.238 -2.818 1.395 1.00 49.45 O ATOM 450 NE2 GLN A 29 -0.059 -3.148 1.841 1.00 49.38 N ATOM 0 H GLN A 29 -2.289 0.358 4.675 1.00 49.53 H new ATOM 0 HA GLN A 29 -1.360 1.725 2.327 1.00 50.07 H new ATOM 0 HB2 GLN A 29 -3.101 -0.727 2.788 1.00 49.82 H new ATOM 0 HB3 GLN A 29 -2.620 -0.171 1.196 1.00 49.82 H new ATOM 0 HG2 GLN A 29 -0.235 -0.469 1.814 1.00 49.82 H new ATOM 0 HG3 GLN A 29 -0.718 -1.029 3.403 1.00 49.82 H new ATOM 0 HE21 GLN A 29 0.813 -2.762 2.202 1.00 49.38 H new ATOM 0 HE22 GLN A 29 -0.088 -4.108 1.496 1.00 49.38 H new ATOM 459 N GLY A 30 -3.399 2.712 1.251 1.00 49.53 N ATOM 460 CA GLY A 30 -4.523 3.502 0.762 1.00 49.98 C ATOM 461 C GLY A 30 -4.413 4.954 1.210 1.00 50.51 C ATOM 462 O GLY A 30 -5.234 5.793 0.838 1.00 49.49 O ATOM 0 H GLY A 30 -2.568 2.753 0.661 1.00 49.53 H new ATOM 0 HA2 GLY A 30 -4.557 3.456 -0.327 1.00 49.98 H new ATOM 0 HA3 GLY A 30 -5.457 3.076 1.128 1.00 49.98 H new ATOM 466 N LYS A 31 -3.394 5.245 2.012 1.00 49.53 N ATOM 467 CA LYS A 31 -3.173 6.596 2.512 1.00 50.07 C ATOM 468 C LYS A 31 -2.262 7.386 1.581 1.00 50.51 C ATOM 469 O LYS A 31 -1.460 6.810 0.846 1.00 49.49 O ATOM 470 CB LYS A 31 -2.579 6.557 3.921 1.00 49.82 C ATOM 471 CG LYS A 31 -3.435 5.818 4.943 1.00 49.82 C ATOM 472 CD LYS A 31 -4.777 6.507 5.142 1.00 49.82 C ATOM 473 CE LYS A 31 -5.564 5.871 6.278 1.00 50.21 C ATOM 474 NZ LYS A 31 -6.904 6.495 6.445 1.00 49.70 N1+ ATOM 0 H LYS A 31 -2.707 4.561 2.330 1.00 49.53 H new ATOM 0 HA LYS A 31 -4.140 7.098 2.550 1.00 50.07 H new ATOM 0 HB2 LYS A 31 -1.598 6.084 3.876 1.00 49.82 H new ATOM 0 HB3 LYS A 31 -2.424 7.579 4.266 1.00 49.82 H new ATOM 0 HG2 LYS A 31 -3.596 4.792 4.612 1.00 49.82 H new ATOM 0 HG3 LYS A 31 -2.906 5.766 5.894 1.00 49.82 H new ATOM 0 HD2 LYS A 31 -4.617 7.564 5.355 1.00 49.82 H new ATOM 0 HD3 LYS A 31 -5.356 6.452 4.220 1.00 49.82 H new ATOM 0 HE2 LYS A 31 -5.682 4.805 6.085 1.00 50.21 H new ATOM 0 HE3 LYS A 31 -5.001 5.966 7.207 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 -7.407 6.033 7.229 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 -6.792 7.507 6.655 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 -7.451 6.382 5.568 1.00 49.70 H new ATOM 488 N GLY A 32 -2.389 8.708 1.618 1.00 49.53 N ATOM 489 CA GLY A 32 -1.581 9.579 0.774 1.00 49.98 C ATOM 490 C GLY A 32 -0.166 9.717 1.322 1.00 50.51 C ATOM 491 O GLY A 32 0.088 9.429 2.491 1.00 49.49 O ATOM 0 H GLY A 32 -3.045 9.200 2.225 1.00 49.53 H new ATOM 0 HA2 GLY A 32 -1.544 9.177 -0.239 1.00 49.98 H new ATOM 0 HA3 GLY A 32 -2.047 10.562 0.710 1.00 49.98 H new ATOM 495 N ARG A 33 0.753 10.158 0.469 1.00 49.53 N ATOM 496 CA ARG A 33 2.142 10.347 0.869 1.00 50.07 C ATOM 497 C ARG A 33 2.276 11.481 1.877 1.00 50.51 C ATOM 498 O ARG A 33 3.023 11.375 2.850 1.00 49.49 O ATOM 499 CB ARG A 33 3.061 10.554 -0.326 1.00 49.82 C ATOM 500 CG ARG A 33 4.534 10.704 0.018 1.00 49.82 C ATOM 501 CD ARG A 33 5.412 10.971 -1.150 1.00 50.20 C ATOM 502 NE ARG A 33 6.828 11.058 -0.833 1.00 49.30 N ATOM 503 CZ ARG A 33 7.670 10.007 -0.799 1.00 50.64 C ATOM 504 NH1 ARG A 33 7.239 8.785 -1.027 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 8.939 10.232 -0.510 1.00 49.20 N ATOM 0 H ARG A 33 0.560 10.391 -0.505 1.00 49.53 H new ATOM 0 HA ARG A 33 2.462 9.426 1.357 1.00 50.07 H new ATOM 0 HB2 ARG A 33 2.946 9.709 -1.005 1.00 49.82 H new ATOM 0 HB3 ARG A 33 2.736 11.444 -0.866 1.00 49.82 H new ATOM 0 HG2 ARG A 33 4.646 11.517 0.735 1.00 49.82 H new ATOM 0 HG3 ARG A 33 4.874 9.794 0.512 1.00 49.82 H new ATOM 0 HD2 ARG A 33 5.266 10.181 -1.887 1.00 50.20 H new ATOM 0 HD3 ARG A 33 5.099 11.905 -1.618 1.00 50.20 H new ATOM 0 HE ARG A 33 7.211 11.979 -0.621 1.00 49.30 H new ATOM 0 HH11 ARG A 33 6.254 8.622 -1.234 1.00 49.20 H new ATOM 0 HH12 ARG A 33 7.890 8.001 -0.997 1.00 49.20 H new ATOM 0 HH21 ARG A 33 9.258 11.182 -0.320 1.00 49.20 H new ATOM 0 HH22 ARG A 33 9.600 9.456 -0.477 1.00 49.20 H new ATOM 519 N GLY A 34 1.547 12.566 1.640 1.00 49.53 N ATOM 520 CA GLY A 34 1.709 13.785 2.423 1.00 49.98 C ATOM 521 C GLY A 34 1.289 13.568 3.871 1.00 50.51 C ATOM 522 O GLY A 34 1.695 14.313 4.764 1.00 49.49 O ATOM 0 H GLY A 34 0.837 12.626 0.910 1.00 49.53 H new ATOM 0 HA2 GLY A 34 2.750 14.108 2.388 1.00 49.98 H new ATOM 0 HA3 GLY A 34 1.112 14.585 1.984 1.00 49.98 H new ATOM 526 N LEU A 35 0.474 12.544 4.098 1.00 49.53 N ATOM 527 CA LEU A 35 -0.021 12.240 5.436 1.00 50.07 C ATOM 528 C LEU A 35 1.109 11.779 6.349 1.00 50.51 C ATOM 529 O LEU A 35 1.046 11.952 7.566 1.00 49.49 O ATOM 530 CB LEU A 35 -1.119 11.172 5.366 1.00 49.82 C ATOM 531 CG LEU A 35 -2.425 11.623 4.700 1.00 49.91 C ATOM 532 CD1 LEU A 35 -3.403 10.458 4.628 1.00 49.73 C ATOM 533 CD2 LEU A 35 -3.023 12.782 5.484 1.00 49.73 C ATOM 0 H LEU A 35 0.142 11.909 3.372 1.00 49.53 H new ATOM 0 HA LEU A 35 -0.442 13.153 5.856 1.00 50.07 H new ATOM 0 HB2 LEU A 35 -0.731 10.310 4.823 1.00 49.82 H new ATOM 0 HB3 LEU A 35 -1.343 10.837 6.379 1.00 49.82 H new ATOM 0 HG LEU A 35 -2.218 11.958 3.684 1.00 49.91 H new ATOM 0 HD11 LEU A 35 -4.327 10.788 4.154 1.00 49.73 H new ATOM 0 HD12 LEU A 35 -2.964 9.650 4.044 1.00 49.73 H new ATOM 0 HD13 LEU A 35 -3.619 10.102 5.635 1.00 49.73 H new ATOM 0 HD21 LEU A 35 -3.951 13.102 5.010 1.00 49.73 H new ATOM 0 HD22 LEU A 35 -3.229 12.462 6.506 1.00 49.73 H new ATOM 0 HD23 LEU A 35 -2.318 13.613 5.499 1.00 49.73 H new ATOM 545 N SER A 36 2.141 11.191 5.754 1.00 49.53 N ATOM 546 CA SER A 36 3.291 10.711 6.511 1.00 50.07 C ATOM 547 C SER A 36 4.494 11.627 6.325 1.00 50.51 C ATOM 548 O SER A 36 5.562 11.385 6.888 1.00 49.49 O ATOM 549 CB SER A 36 3.636 9.295 6.094 1.00 50.05 C ATOM 550 OG SER A 36 4.757 8.804 6.776 1.00 49.34 O ATOM 0 H SER A 36 2.205 11.035 4.748 1.00 49.53 H new ATOM 0 HA SER A 36 3.027 10.715 7.569 1.00 50.07 H new ATOM 0 HB2 SER A 36 2.783 8.644 6.283 1.00 50.05 H new ATOM 0 HB3 SER A 36 3.825 9.269 5.021 1.00 50.05 H new ATOM 0 HG SER A 36 5.534 9.368 6.577 1.00 49.34 H new TER 556 SER A 36