USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=8 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 14 HIS : no HD1:sc= -0.184 K(o=0.63,f=-1.3) USER MOD Set 1.2: A 36 SER OG : rot 175:sc= 0.818 USER MOD Set 2.1: A 3 HIS : no HE2:sc= 0.398 K(o=-0.26,f=-3.5!) USER MOD Set 2.2: A 24 THR OG1 : rot -129:sc= -0.656 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 6 THR OG1 : rot 120:sc= 1.22 USER MOD Single : A 7 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.24) USER MOD Single : A 10 ASN : amide:sc=-0.00537 K(o=-0.0054,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0.959 (180deg=0.899) USER MOD Single : A 18 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.271 14.524 12.206 1.00 49.53 N ATOM 2 CA SER A 1 9.121 13.716 11.002 1.00 50.07 C ATOM 3 C SER A 1 8.435 12.391 11.310 1.00 50.51 C ATOM 4 O SER A 1 9.013 11.517 11.957 1.00 49.49 O ATOM 5 CB SER A 1 10.475 13.473 10.363 1.00 50.05 C ATOM 6 OG SER A 1 10.390 12.613 9.261 1.00 49.34 O ATOM 0 H1 SER A 1 9.741 15.420 11.966 1.00 49.53 H new ATOM 0 H2 SER A 1 8.333 14.722 12.610 1.00 49.53 H new ATOM 0 H3 SER A 1 9.846 14.007 12.902 1.00 49.53 H new ATOM 0 HA SER A 1 8.492 14.265 10.302 1.00 50.07 H new ATOM 0 HB2 SER A 1 10.903 14.425 10.048 1.00 50.05 H new ATOM 0 HB3 SER A 1 11.154 13.048 11.103 1.00 50.05 H new ATOM 0 HG SER A 1 11.282 12.484 8.877 1.00 49.34 H new ATOM 12 N GLN A 2 7.200 12.247 10.843 1.00 49.53 N ATOM 13 CA GLN A 2 6.438 11.022 11.054 1.00 50.07 C ATOM 14 C GLN A 2 6.893 9.919 10.107 1.00 50.51 C ATOM 15 O GLN A 2 7.564 10.184 9.109 1.00 49.49 O ATOM 16 CB GLN A 2 4.942 11.281 10.863 1.00 49.82 C ATOM 17 CG GLN A 2 4.332 12.207 11.902 1.00 49.82 C ATOM 18 CD GLN A 2 2.844 12.409 11.696 1.00 50.55 C ATOM 19 OE1 GLN A 2 2.260 11.896 10.737 1.00 49.45 O ATOM 20 NE2 GLN A 2 2.219 13.162 12.594 1.00 49.38 N ATOM 0 H GLN A 2 6.704 12.965 10.315 1.00 49.53 H new ATOM 0 HA GLN A 2 6.618 10.694 12.078 1.00 50.07 H new ATOM 0 HB2 GLN A 2 4.782 11.709 9.873 1.00 49.82 H new ATOM 0 HB3 GLN A 2 4.414 10.328 10.887 1.00 49.82 H new ATOM 0 HG2 GLN A 2 4.506 11.796 12.897 1.00 49.82 H new ATOM 0 HG3 GLN A 2 4.835 13.173 11.864 1.00 49.82 H new ATOM 0 HE21 GLN A 2 2.740 13.567 13.372 1.00 49.38 H new ATOM 0 HE22 GLN A 2 1.218 13.335 12.506 1.00 49.38 H new ATOM 29 N HIS A 3 6.526 8.683 10.424 1.00 49.53 N ATOM 30 CA HIS A 3 6.938 7.532 9.629 1.00 50.07 C ATOM 31 C HIS A 3 6.321 7.575 8.237 1.00 50.51 C ATOM 32 O HIS A 3 5.205 8.063 8.058 1.00 49.49 O ATOM 33 CB HIS A 3 6.557 6.225 10.331 1.00 49.92 C ATOM 34 CG HIS A 3 7.340 5.962 11.579 1.00 50.22 C ATOM 35 ND1 HIS A 3 7.010 4.959 12.467 1.00 49.30 N ATOM 36 CD2 HIS A 3 8.437 6.570 12.088 1.00 49.95 C ATOM 37 CE1 HIS A 3 7.873 4.962 13.469 1.00 50.25 C ATOM 38 NE2 HIS A 3 8.747 5.930 13.263 1.00 49.64 N ATOM 0 H HIS A 3 5.942 8.452 11.228 1.00 49.53 H new ATOM 0 HA HIS A 3 8.022 7.573 9.525 1.00 50.07 H new ATOM 0 HB2 HIS A 3 5.496 6.251 10.577 1.00 49.92 H new ATOM 0 HB3 HIS A 3 6.703 5.395 9.639 1.00 49.92 H new ATOM 0 HD1 HIS A 3 6.224 4.316 12.366 1.00 49.30 H new ATOM 0 HD2 HIS A 3 8.969 7.403 11.652 1.00 49.95 H new ATOM 0 HE1 HIS A 3 7.864 4.287 14.312 1.00 50.25 H new ATOM 46 N GLY A 4 7.054 7.062 7.254 1.00 49.53 N ATOM 47 CA GLY A 4 6.580 7.043 5.876 1.00 49.98 C ATOM 48 C GLY A 4 5.792 5.774 5.582 1.00 50.51 C ATOM 49 O GLY A 4 5.698 4.881 6.424 1.00 49.49 O ATOM 0 H GLY A 4 7.979 6.654 7.387 1.00 49.53 H new ATOM 0 HA2 GLY A 4 5.952 7.915 5.693 1.00 49.98 H new ATOM 0 HA3 GLY A 4 7.429 7.113 5.196 1.00 49.98 H new ATOM 53 N ARG A 5 5.228 5.697 4.381 1.00 49.53 N ATOM 54 CA ARG A 5 4.412 4.554 3.988 1.00 50.07 C ATOM 55 C ARG A 5 5.260 3.474 3.328 1.00 50.51 C ATOM 56 O ARG A 5 6.105 3.766 2.482 1.00 49.49 O ATOM 57 CB ARG A 5 3.241 4.960 3.106 1.00 49.82 C ATOM 58 CG ARG A 5 2.313 3.823 2.711 1.00 49.82 C ATOM 59 CD ARG A 5 1.205 4.223 1.806 1.00 50.20 C ATOM 60 NE ARG A 5 0.314 3.138 1.429 1.00 49.30 N ATOM 61 CZ ARG A 5 -0.613 3.213 0.453 1.00 50.64 C ATOM 62 NH1 ARG A 5 -0.800 4.326 -0.218 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 -1.347 2.142 0.206 1.00 49.20 N ATOM 0 H ARG A 5 5.321 6.414 3.662 1.00 49.53 H new ATOM 0 HA ARG A 5 3.987 4.135 4.900 1.00 50.07 H new ATOM 0 HB2 ARG A 5 2.659 5.720 3.627 1.00 49.82 H new ATOM 0 HB3 ARG A 5 3.631 5.423 2.200 1.00 49.82 H new ATOM 0 HG2 ARG A 5 2.900 3.043 2.225 1.00 49.82 H new ATOM 0 HG3 ARG A 5 1.888 3.386 3.615 1.00 49.82 H new ATOM 0 HD2 ARG A 5 0.620 5.005 2.291 1.00 50.20 H new ATOM 0 HD3 ARG A 5 1.630 4.658 0.902 1.00 50.20 H new ATOM 0 HE ARG A 5 0.396 2.258 1.939 1.00 49.30 H new ATOM 0 HH11 ARG A 5 -0.240 5.151 -0.004 1.00 49.20 H new ATOM 0 HH12 ARG A 5 -1.506 4.366 -0.953 1.00 49.20 H new ATOM 0 HH21 ARG A 5 -1.204 1.290 0.748 1.00 49.20 H new ATOM 0 HH22 ARG A 5 -2.057 2.168 -0.526 1.00 49.20 H new ATOM 77 N THR A 6 5.029 2.227 3.720 1.00 49.53 N ATOM 78 CA THR A 6 5.833 1.110 3.236 1.00 50.07 C ATOM 79 C THR A 6 5.639 0.900 1.740 1.00 50.51 C ATOM 80 O THR A 6 6.572 0.521 1.030 1.00 49.49 O ATOM 81 CB THR A 6 5.489 -0.197 3.975 1.00 50.14 C ATOM 82 OG1 THR A 6 5.656 -0.008 5.387 1.00 49.34 O ATOM 83 CG2 THR A 6 6.392 -1.327 3.507 1.00 49.73 C ATOM 0 H THR A 6 4.291 1.963 4.372 1.00 49.53 H new ATOM 0 HA THR A 6 6.874 1.365 3.433 1.00 50.07 H new ATOM 0 HB THR A 6 4.454 -0.460 3.757 1.00 50.14 H new ATOM 0 HG1 THR A 6 4.802 -0.167 5.841 1.00 49.34 H new ATOM 0 HG21 THR A 6 6.135 -2.243 4.040 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.258 -1.480 2.436 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.432 -1.069 3.709 1.00 49.73 H new ATOM 91 N GLN A 7 4.424 1.150 1.264 1.00 49.53 N ATOM 92 CA GLN A 7 4.119 1.038 -0.157 1.00 50.07 C ATOM 93 C GLN A 7 4.844 2.108 -0.962 1.00 50.51 C ATOM 94 O GLN A 7 5.275 1.865 -2.089 1.00 49.49 O ATOM 95 CB GLN A 7 2.610 1.149 -0.392 1.00 49.82 C ATOM 96 CG GLN A 7 2.187 0.938 -1.835 1.00 49.82 C ATOM 97 CD GLN A 7 2.522 -0.454 -2.339 1.00 50.55 C ATOM 98 OE1 GLN A 7 2.294 -1.450 -1.647 1.00 49.45 O ATOM 99 NE2 GLN A 7 3.067 -0.529 -3.547 1.00 49.38 N ATOM 0 H GLN A 7 3.633 1.432 1.843 1.00 49.53 H new ATOM 0 HA GLN A 7 4.463 0.060 -0.493 1.00 50.07 H new ATOM 0 HB2 GLN A 7 2.101 0.416 0.235 1.00 49.82 H new ATOM 0 HB3 GLN A 7 2.275 2.134 -0.067 1.00 49.82 H new ATOM 0 HG2 GLN A 7 1.114 1.105 -1.924 1.00 49.82 H new ATOM 0 HG3 GLN A 7 2.678 1.678 -2.467 1.00 49.82 H new ATOM 0 HE21 GLN A 7 3.237 0.322 -4.083 1.00 49.38 H new ATOM 0 HE22 GLN A 7 3.315 -1.437 -3.939 1.00 49.38 H new ATOM 108 N ASP A 8 4.976 3.293 -0.377 1.00 49.53 N ATOM 109 CA ASP A 8 5.532 4.440 -1.085 1.00 50.07 C ATOM 110 C ASP A 8 7.050 4.350 -1.171 1.00 50.51 C ATOM 111 O ASP A 8 7.641 4.648 -2.209 1.00 49.49 O ATOM 112 CB ASP A 8 5.121 5.746 -0.400 1.00 49.72 C ATOM 113 CG ASP A 8 3.661 6.130 -0.602 1.00 50.62 C ATOM 114 OD1 ASP A 8 3.026 5.545 -1.448 1.00 49.24 O ATOM 115 OD2 ASP A 8 3.152 6.886 0.189 1.00 49.24 O1- ATOM 0 H ASP A 8 4.705 3.485 0.587 1.00 49.53 H new ATOM 0 HA ASP A 8 5.131 4.432 -2.098 1.00 50.07 H new ATOM 0 HB2 ASP A 8 5.317 5.659 0.669 1.00 49.72 H new ATOM 0 HB3 ASP A 8 5.751 6.553 -0.775 1.00 49.72 H new ATOM 120 N GLU A 9 7.677 3.938 -0.074 1.00 49.53 N ATOM 121 CA GLU A 9 9.133 3.908 0.012 1.00 50.07 C ATOM 122 C GLU A 9 9.632 2.526 0.413 1.00 50.51 C ATOM 123 O GLU A 9 8.930 1.774 1.088 1.00 49.49 O ATOM 124 CB GLU A 9 9.632 4.957 1.008 1.00 49.82 C ATOM 125 CG GLU A 9 9.337 6.396 0.606 1.00 49.72 C ATOM 126 CD GLU A 9 9.884 7.367 1.616 1.00 50.62 C ATOM 127 OE1 GLU A 9 10.433 6.929 2.597 1.00 49.24 O ATOM 128 OE2 GLU A 9 9.853 8.545 1.352 1.00 49.24 O1- ATOM 0 H GLU A 9 7.199 3.620 0.769 1.00 49.53 H new ATOM 0 HA GLU A 9 9.531 4.140 -0.976 1.00 50.07 H new ATOM 0 HB2 GLU A 9 9.177 4.763 1.979 1.00 49.82 H new ATOM 0 HB3 GLU A 9 10.709 4.840 1.131 1.00 49.82 H new ATOM 0 HG2 GLU A 9 9.774 6.600 -0.372 1.00 49.72 H new ATOM 0 HG3 GLU A 9 8.260 6.536 0.510 1.00 49.72 H new ATOM 135 N ASN A 10 10.849 2.198 -0.008 1.00 49.53 N ATOM 136 CA ASN A 10 11.405 0.869 0.219 1.00 50.07 C ATOM 137 C ASN A 10 11.642 0.617 1.702 1.00 50.51 C ATOM 138 O ASN A 10 11.971 1.536 2.454 1.00 49.49 O ATOM 139 CB ASN A 10 12.692 0.666 -0.559 1.00 49.82 C ATOM 140 CG ASN A 10 12.489 0.550 -2.045 1.00 50.55 C ATOM 141 OD1 ASN A 10 11.401 0.203 -2.517 1.00 49.45 O ATOM 142 ND2 ASN A 10 13.552 0.761 -2.779 1.00 49.38 N ATOM 0 H ASN A 10 11.469 2.835 -0.508 1.00 49.53 H new ATOM 0 HA ASN A 10 10.671 0.148 -0.141 1.00 50.07 H new ATOM 0 HB2 ASN A 10 13.364 1.500 -0.357 1.00 49.82 H new ATOM 0 HB3 ASN A 10 13.186 -0.236 -0.197 1.00 49.82 H new ATOM 0 HD21 ASN A 10 13.505 0.640 -3.791 1.00 49.38 H new ATOM 0 HD22 ASN A 10 14.427 1.047 -2.339 1.00 49.38 H new ATOM 149 N PRO A 11 11.474 -0.633 2.119 1.00 49.71 N ATOM 150 CA PRO A 11 11.706 -1.017 3.506 1.00 50.02 C ATOM 151 C PRO A 11 13.173 -0.853 3.885 1.00 50.51 C ATOM 152 O PRO A 11 13.505 -0.680 5.057 1.00 49.49 O ATOM 153 CB PRO A 11 11.252 -2.484 3.572 1.00 49.82 C ATOM 154 CG PRO A 11 11.359 -2.987 2.158 1.00 49.82 C ATOM 155 CD PRO A 11 10.994 -1.758 1.305 1.00 50.00 C ATOM 0 HA PRO A 11 11.161 -0.392 4.213 1.00 50.02 H new ATOM 0 HB2 PRO A 11 11.883 -3.063 4.246 1.00 49.82 H new ATOM 0 HB3 PRO A 11 10.231 -2.565 3.944 1.00 49.82 H new ATOM 0 HG2 PRO A 11 12.364 -3.345 1.935 1.00 49.82 H new ATOM 0 HG3 PRO A 11 10.677 -3.818 1.976 1.00 49.82 H new ATOM 0 HD2 PRO A 11 11.480 -1.786 0.330 1.00 50.00 H new ATOM 0 HD3 PRO A 11 9.921 -1.696 1.125 1.00 50.00 H new ATOM 163 N VAL A 12 14.046 -0.908 2.886 1.00 49.53 N ATOM 164 CA VAL A 12 15.462 -0.621 3.088 1.00 50.07 C ATOM 165 C VAL A 12 15.683 0.847 3.428 1.00 50.51 C ATOM 166 O VAL A 12 16.495 1.177 4.293 1.00 49.49 O ATOM 167 CB VAL A 12 16.294 -0.982 1.844 1.00 49.91 C ATOM 168 CG1 VAL A 12 17.730 -0.504 2.008 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.258 -2.481 1.593 1.00 49.73 C ATOM 0 H VAL A 12 13.798 -1.149 1.926 1.00 49.53 H new ATOM 0 HA VAL A 12 15.792 -1.237 3.925 1.00 50.07 H new ATOM 0 HB VAL A 12 15.858 -0.479 0.981 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.305 -0.767 1.120 1.00 49.73 H new ATOM 0 HG12 VAL A 12 17.741 0.578 2.140 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.174 -0.980 2.882 1.00 49.73 H new ATOM 0 HG21 VAL A 12 16.852 -2.716 0.710 1.00 49.73 H new ATOM 0 HG22 VAL A 12 16.669 -3.004 2.456 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.228 -2.798 1.433 1.00 49.73 H new ATOM 179 N VAL A 13 14.957 1.724 2.744 1.00 49.53 N ATOM 180 CA VAL A 13 14.978 3.147 3.059 1.00 50.07 C ATOM 181 C VAL A 13 14.427 3.412 4.453 1.00 50.51 C ATOM 182 O VAL A 13 14.962 4.233 5.199 1.00 49.49 O ATOM 183 CB VAL A 13 14.169 3.964 2.034 1.00 49.91 C ATOM 184 CG1 VAL A 13 14.035 5.409 2.492 1.00 49.73 C ATOM 185 CG2 VAL A 13 14.827 3.901 0.664 1.00 49.73 C ATOM 0 H VAL A 13 14.346 1.474 1.967 1.00 49.53 H new ATOM 0 HA VAL A 13 16.021 3.461 3.019 1.00 50.07 H new ATOM 0 HB VAL A 13 13.172 3.531 1.959 1.00 49.91 H new ATOM 0 HG11 VAL A 13 13.461 5.972 1.756 1.00 49.73 H new ATOM 0 HG12 VAL A 13 13.522 5.440 3.453 1.00 49.73 H new ATOM 0 HG13 VAL A 13 15.026 5.851 2.595 1.00 49.73 H new ATOM 0 HG21 VAL A 13 14.242 4.484 -0.048 1.00 49.73 H new ATOM 0 HG22 VAL A 13 15.836 4.310 0.726 1.00 49.73 H new ATOM 0 HG23 VAL A 13 14.876 2.864 0.331 1.00 49.73 H new ATOM 195 N HIS A 14 13.353 2.711 4.802 1.00 49.53 N ATOM 196 CA HIS A 14 12.748 2.844 6.122 1.00 50.07 C ATOM 197 C HIS A 14 13.686 2.341 7.212 1.00 50.51 C ATOM 198 O HIS A 14 13.739 2.903 8.306 1.00 49.49 O ATOM 199 CB HIS A 14 11.417 2.087 6.186 1.00 49.92 C ATOM 200 CG HIS A 14 10.329 2.713 5.373 1.00 50.22 C ATOM 201 ND1 HIS A 14 9.948 4.030 5.527 1.00 49.30 N ATOM 202 CD2 HIS A 14 9.538 2.205 4.398 1.00 49.95 C ATOM 203 CE1 HIS A 14 8.970 4.304 4.681 1.00 50.25 C ATOM 204 NE2 HIS A 14 8.703 3.214 3.986 1.00 49.64 N ATOM 0 H HIS A 14 12.884 2.045 4.189 1.00 49.53 H new ATOM 0 HA HIS A 14 12.560 3.904 6.293 1.00 50.07 H new ATOM 0 HB2 HIS A 14 11.574 1.065 5.841 1.00 49.92 H new ATOM 0 HB3 HIS A 14 11.093 2.027 7.225 1.00 49.92 H new ATOM 0 HD2 HIS A 14 9.560 1.195 4.016 1.00 49.95 H new ATOM 0 HE1 HIS A 14 8.474 5.258 4.576 1.00 50.25 H new ATOM 0 HE2 HIS A 14 7.991 3.134 3.260 1.00 49.64 H new ATOM 212 N PHE A 15 14.425 1.280 6.906 1.00 49.53 N ATOM 213 CA PHE A 15 15.421 0.749 7.829 1.00 50.07 C ATOM 214 C PHE A 15 16.432 1.818 8.223 1.00 50.51 C ATOM 215 O PHE A 15 16.696 2.029 9.406 1.00 49.49 O ATOM 216 CB PHE A 15 16.138 -0.451 7.207 1.00 49.82 C ATOM 217 CG PHE A 15 17.250 -0.999 8.056 1.00 50.00 C ATOM 218 CD1 PHE A 15 16.973 -1.754 9.185 1.00 49.88 C ATOM 219 CD2 PHE A 15 18.576 -0.757 7.728 1.00 49.88 C ATOM 220 CE1 PHE A 15 17.995 -2.258 9.967 1.00 49.88 C ATOM 221 CE2 PHE A 15 19.600 -1.261 8.507 1.00 49.88 C ATOM 222 CZ PHE A 15 19.309 -2.012 9.627 1.00 49.88 C ATOM 0 H PHE A 15 14.353 0.771 6.025 1.00 49.53 H new ATOM 0 HA PHE A 15 14.902 0.424 8.731 1.00 50.07 H new ATOM 0 HB2 PHE A 15 15.411 -1.242 7.023 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.543 -0.158 6.238 1.00 49.82 H new ATOM 0 HD1 PHE A 15 15.946 -1.951 9.457 1.00 49.88 H new ATOM 0 HD2 PHE A 15 18.811 -0.168 6.854 1.00 49.88 H new ATOM 0 HE1 PHE A 15 17.765 -2.844 10.844 1.00 49.88 H new ATOM 0 HE2 PHE A 15 20.628 -1.067 8.239 1.00 49.88 H new ATOM 0 HZ PHE A 15 20.109 -2.407 10.236 1.00 49.88 H new ATOM 232 N PHE A 16 16.995 2.489 7.224 1.00 49.53 N ATOM 233 CA PHE A 16 17.909 3.599 7.466 1.00 50.07 C ATOM 234 C PHE A 16 17.248 4.685 8.304 1.00 50.51 C ATOM 235 O PHE A 16 17.818 5.159 9.287 1.00 49.49 O ATOM 236 CB PHE A 16 18.404 4.183 6.142 1.00 49.82 C ATOM 237 CG PHE A 16 19.276 5.396 6.302 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.617 5.265 6.630 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.756 6.670 6.127 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.419 6.381 6.778 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.556 7.786 6.272 1.00 49.88 C ATOM 242 CZ PHE A 16 20.889 7.640 6.599 1.00 49.88 C ATOM 0 H PHE A 16 16.834 2.283 6.238 1.00 49.53 H new ATOM 0 HA PHE A 16 18.762 3.213 8.023 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.960 3.416 5.603 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.543 4.445 5.527 1.00 49.82 H new ATOM 0 HD1 PHE A 16 21.039 4.281 6.771 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.713 6.790 5.874 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.462 6.266 7.034 1.00 49.88 H new ATOM 0 HE2 PHE A 16 19.139 8.772 6.130 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.516 8.512 6.714 1.00 49.88 H new ATOM 252 N LYS A 17 16.041 5.077 7.908 1.00 49.53 N ATOM 253 CA LYS A 17 15.332 6.163 8.574 1.00 50.07 C ATOM 254 C LYS A 17 14.984 5.795 10.011 1.00 50.51 C ATOM 255 O LYS A 17 14.912 6.661 10.883 1.00 49.49 O ATOM 256 CB LYS A 17 14.062 6.526 7.801 1.00 49.82 C ATOM 257 CG LYS A 17 14.310 7.276 6.500 1.00 49.82 C ATOM 258 CD LYS A 17 13.002 7.661 5.826 1.00 49.82 C ATOM 259 CE LYS A 17 13.244 8.542 4.608 1.00 50.21 C ATOM 260 NZ LYS A 17 11.971 8.950 3.954 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.534 4.658 7.129 1.00 49.53 H new ATOM 0 HA LYS A 17 15.993 7.029 8.596 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.512 5.611 7.580 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.423 7.135 8.441 1.00 49.82 H new ATOM 0 HG2 LYS A 17 14.896 8.173 6.701 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.900 6.654 5.826 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.467 6.760 5.525 1.00 49.82 H new ATOM 0 HD3 LYS A 17 12.365 8.187 6.537 1.00 49.82 H new ATOM 0 HE2 LYS A 17 13.799 9.431 4.908 1.00 50.21 H new ATOM 0 HE3 LYS A 17 13.865 8.006 3.890 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 12.166 9.679 3.239 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 11.536 8.124 3.496 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 11.320 9.332 4.669 1.00 49.70 H new ATOM 274 N ASN A 18 14.769 4.506 10.251 1.00 49.53 N ATOM 275 CA ASN A 18 14.425 4.022 11.582 1.00 50.07 C ATOM 276 C ASN A 18 15.642 4.013 12.497 1.00 50.51 C ATOM 277 O ASN A 18 15.517 3.853 13.711 1.00 49.49 O ATOM 278 CB ASN A 18 13.801 2.639 11.525 1.00 49.82 C ATOM 279 CG ASN A 18 12.383 2.634 11.026 1.00 50.55 C ATOM 280 OD1 ASN A 18 11.688 3.657 11.060 1.00 49.45 O ATOM 281 ND2 ASN A 18 11.925 1.472 10.637 1.00 49.38 N ATOM 0 H ASN A 18 14.827 3.777 9.540 1.00 49.53 H new ATOM 0 HA ASN A 18 13.689 4.712 11.995 1.00 50.07 H new ATOM 0 HB2 ASN A 18 14.406 2.004 10.878 1.00 49.82 H new ATOM 0 HB3 ASN A 18 13.828 2.197 12.521 1.00 49.82 H new ATOM 0 HD21 ASN A 18 10.953 1.379 10.343 1.00 49.38 H new ATOM 0 HD22 ASN A 18 12.540 0.659 10.628 1.00 49.38 H new ATOM 288 N ILE A 19 16.820 4.187 11.907 1.00 49.53 N ATOM 289 CA ILE A 19 18.055 4.290 12.677 1.00 50.07 C ATOM 290 C ILE A 19 18.363 5.739 13.030 1.00 50.51 C ATOM 291 O ILE A 19 18.736 6.046 14.162 1.00 49.49 O ATOM 292 CB ILE A 19 19.249 3.693 11.912 1.00 49.91 C ATOM 293 CG1 ILE A 19 19.062 2.185 11.723 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.549 3.983 12.646 1.00 49.73 C ATOM 295 CD1 ILE A 19 20.020 1.571 10.728 1.00 49.73 C ATOM 0 H ILE A 19 16.946 4.260 10.897 1.00 49.53 H new ATOM 0 HA ILE A 19 17.903 3.720 13.594 1.00 50.07 H new ATOM 0 HB ILE A 19 19.299 4.160 10.928 1.00 49.91 H new ATOM 0 HG12 ILE A 19 19.186 1.690 12.686 1.00 49.82 H new ATOM 0 HG13 ILE A 19 18.040 1.993 11.395 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.383 3.554 12.091 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.686 5.061 12.731 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.510 3.542 13.642 1.00 49.73 H new ATOM 0 HD11 ILE A 19 19.826 0.501 10.648 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.881 2.038 9.753 1.00 49.73 H new ATOM 0 HD13 ILE A 19 21.045 1.730 11.064 1.00 49.73 H new ATOM 307 N VAL A 20 18.204 6.628 12.055 1.00 49.53 N ATOM 308 CA VAL A 20 18.571 8.029 12.227 1.00 50.07 C ATOM 309 C VAL A 20 17.409 8.836 12.790 1.00 50.51 C ATOM 310 O VAL A 20 17.588 9.967 13.244 1.00 49.49 O ATOM 311 CB VAL A 20 19.027 8.660 10.899 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.216 7.900 10.329 1.00 49.73 C ATOM 313 CG2 VAL A 20 17.882 8.684 9.898 1.00 49.73 C ATOM 0 H VAL A 20 17.823 6.403 11.136 1.00 49.53 H new ATOM 0 HA VAL A 20 19.401 8.053 12.933 1.00 50.07 H new ATOM 0 HB VAL A 20 19.335 9.687 11.094 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.525 8.359 9.390 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.043 7.932 11.039 1.00 49.73 H new ATOM 0 HG13 VAL A 20 19.933 6.863 10.149 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.223 9.134 8.966 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.544 7.665 9.707 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.057 9.270 10.303 1.00 49.73 H new ATOM 323 N THR A 21 16.216 8.252 12.756 1.00 49.53 N ATOM 324 CA THR A 21 15.034 8.888 13.324 1.00 50.07 C ATOM 325 C THR A 21 14.350 7.978 14.336 1.00 50.51 C ATOM 326 O THR A 21 14.085 6.809 14.054 1.00 49.49 O ATOM 327 CB THR A 21 14.020 9.276 12.231 1.00 50.14 C ATOM 328 OG1 THR A 21 14.642 10.165 11.294 1.00 49.34 O ATOM 329 CG2 THR A 21 12.809 9.960 12.846 1.00 49.73 C ATOM 0 H THR A 21 16.042 7.337 12.340 1.00 49.53 H new ATOM 0 HA THR A 21 15.377 9.792 13.827 1.00 50.07 H new ATOM 0 HB THR A 21 13.692 8.370 11.721 1.00 50.14 H new ATOM 0 HG1 THR A 21 13.997 10.410 10.598 1.00 49.34 H new ATOM 0 HG21 THR A 21 12.103 10.227 12.059 1.00 49.73 H new ATOM 0 HG22 THR A 21 12.327 9.282 13.551 1.00 49.73 H new ATOM 0 HG23 THR A 21 13.127 10.862 13.369 1.00 49.73 H new ATOM 337 N PRO A 22 14.069 8.519 15.516 1.00 49.71 N ATOM 338 CA PRO A 22 13.435 7.750 16.581 1.00 50.02 C ATOM 339 C PRO A 22 11.980 7.446 16.248 1.00 50.51 C ATOM 340 O PRO A 22 11.450 7.922 15.244 1.00 49.49 O ATOM 341 CB PRO A 22 13.569 8.647 17.823 1.00 49.82 C ATOM 342 CG PRO A 22 13.652 10.048 17.283 1.00 49.82 C ATOM 343 CD PRO A 22 14.508 9.844 15.974 1.00 50.00 C ATOM 0 HA PRO A 22 13.899 6.775 16.732 1.00 50.02 H new ATOM 0 HB2 PRO A 22 12.714 8.530 18.488 1.00 49.82 H new ATOM 0 HB3 PRO A 22 14.458 8.393 18.400 1.00 49.82 H new ATOM 0 HG2 PRO A 22 12.667 10.461 17.066 1.00 49.82 H new ATOM 0 HG3 PRO A 22 14.135 10.728 17.985 1.00 49.82 H new ATOM 0 HD2 PRO A 22 14.308 10.617 15.233 1.00 50.00 H new ATOM 0 HD3 PRO A 22 15.578 9.869 16.180 1.00 50.00 H new ATOM 351 N ARG A 23 11.339 6.648 17.096 1.00 49.53 N ATOM 352 CA ARG A 23 9.955 6.247 16.872 1.00 50.07 C ATOM 353 C ARG A 23 9.033 7.458 16.815 1.00 50.51 C ATOM 354 O ARG A 23 8.936 8.222 17.776 1.00 49.49 O ATOM 355 CB ARG A 23 9.479 5.231 17.902 1.00 49.82 C ATOM 356 CG ARG A 23 10.102 3.851 17.774 1.00 49.82 C ATOM 357 CD ARG A 23 9.652 2.879 18.803 1.00 50.20 C ATOM 358 NE ARG A 23 10.190 3.115 20.133 1.00 49.30 N ATOM 359 CZ ARG A 23 9.836 2.427 21.235 1.00 50.64 C ATOM 360 NH1 ARG A 23 8.919 1.485 21.181 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 10.418 2.738 22.380 1.00 49.20 N ATOM 0 H ARG A 23 11.756 6.266 17.945 1.00 49.53 H new ATOM 0 HA ARG A 23 9.917 5.753 15.901 1.00 50.07 H new ATOM 0 HB2 ARG A 23 9.691 5.619 18.898 1.00 49.82 H new ATOM 0 HB3 ARG A 23 8.396 5.134 17.822 1.00 49.82 H new ATOM 0 HG2 ARG A 23 9.870 3.451 16.787 1.00 49.82 H new ATOM 0 HG3 ARG A 23 11.186 3.948 17.832 1.00 49.82 H new ATOM 0 HD2 ARG A 23 8.564 2.903 18.856 1.00 50.20 H new ATOM 0 HD3 ARG A 23 9.933 1.875 18.484 1.00 50.20 H new ATOM 0 HE ARG A 23 10.885 3.854 20.239 1.00 49.30 H new ATOM 0 HH11 ARG A 23 8.464 1.266 20.295 1.00 49.20 H new ATOM 0 HH12 ARG A 23 8.663 0.974 22.026 1.00 49.20 H new ATOM 0 HH21 ARG A 23 11.115 3.482 22.412 1.00 49.20 H new ATOM 0 HH22 ARG A 23 10.170 2.234 23.231 1.00 49.20 H new ATOM 375 N THR A 24 8.356 7.627 15.685 1.00 49.53 N ATOM 376 CA THR A 24 7.385 8.703 15.526 1.00 50.07 C ATOM 377 C THR A 24 6.046 8.168 15.034 1.00 50.51 C ATOM 378 O THR A 24 5.953 7.027 14.580 1.00 49.49 O ATOM 379 CB THR A 24 7.888 9.779 14.548 1.00 50.14 C ATOM 380 OG1 THR A 24 8.119 9.189 13.262 1.00 49.34 O ATOM 381 CG2 THR A 24 9.180 10.401 15.055 1.00 49.73 C ATOM 0 H THR A 24 8.462 7.031 14.864 1.00 49.53 H new ATOM 0 HA THR A 24 7.253 9.154 16.509 1.00 50.07 H new ATOM 0 HB THR A 24 7.130 10.558 14.468 1.00 50.14 H new ATOM 0 HG1 THR A 24 9.017 9.427 12.950 1.00 49.34 H new ATOM 0 HG21 THR A 24 9.520 11.159 14.350 1.00 49.73 H new ATOM 0 HG22 THR A 24 9.005 10.862 16.027 1.00 49.73 H new ATOM 0 HG23 THR A 24 9.942 9.628 15.152 1.00 49.73 H new ATOM 389 N PRO A 25 5.013 8.998 15.125 1.00 49.71 N ATOM 390 CA PRO A 25 3.668 8.594 14.732 1.00 50.02 C ATOM 391 C PRO A 25 3.653 8.035 13.316 1.00 50.51 C ATOM 392 O PRO A 25 4.401 8.490 12.450 1.00 49.49 O ATOM 393 CB PRO A 25 2.838 9.882 14.855 1.00 49.82 C ATOM 394 CG PRO A 25 3.522 10.683 15.929 1.00 49.82 C ATOM 395 CD PRO A 25 5.102 10.438 15.400 1.00 50.00 C ATOM 0 HA PRO A 25 3.269 7.793 15.354 1.00 50.02 H new ATOM 0 HB2 PRO A 25 2.813 10.427 13.911 1.00 49.82 H new ATOM 0 HB3 PRO A 25 1.805 9.662 15.124 1.00 49.82 H new ATOM 0 HG2 PRO A 25 3.229 11.733 15.933 1.00 49.82 H new ATOM 0 HG3 PRO A 25 3.341 10.298 16.932 1.00 49.82 H new ATOM 0 HD2 PRO A 25 5.348 11.024 14.515 1.00 50.00 H new ATOM 0 HD3 PRO A 25 5.846 10.679 16.159 1.00 50.00 H new ATOM 403 N PRO A 26 2.797 7.045 13.084 1.00 49.71 N ATOM 404 CA PRO A 26 2.704 6.403 11.779 1.00 50.02 C ATOM 405 C PRO A 26 2.015 7.309 10.767 1.00 50.51 C ATOM 406 O PRO A 26 1.393 8.305 11.134 1.00 49.49 O ATOM 407 CB PRO A 26 1.900 5.120 12.049 1.00 49.82 C ATOM 408 CG PRO A 26 1.042 5.443 13.242 1.00 49.82 C ATOM 409 CD PRO A 26 2.052 6.314 14.118 1.00 50.00 C ATOM 0 HA PRO A 26 3.680 6.188 11.344 1.00 50.02 H new ATOM 0 HB2 PRO A 26 1.291 4.847 11.187 1.00 49.82 H new ATOM 0 HB3 PRO A 26 2.559 4.277 12.254 1.00 49.82 H new ATOM 0 HG2 PRO A 26 0.147 6.002 12.967 1.00 49.82 H new ATOM 0 HG3 PRO A 26 0.710 4.547 13.766 1.00 49.82 H new ATOM 0 HD2 PRO A 26 1.528 6.987 14.797 1.00 50.00 H new ATOM 0 HD3 PRO A 26 2.705 5.691 14.728 1.00 50.00 H new ATOM 417 N PRO A 27 2.129 6.956 9.491 1.00 49.71 N ATOM 418 CA PRO A 27 1.494 7.721 8.425 1.00 50.02 C ATOM 419 C PRO A 27 -0.014 7.507 8.417 1.00 50.51 C ATOM 420 O PRO A 27 -0.529 6.623 9.101 1.00 49.49 O ATOM 421 CB PRO A 27 2.160 7.200 7.140 1.00 49.82 C ATOM 422 CG PRO A 27 2.544 5.779 7.452 1.00 49.82 C ATOM 423 CD PRO A 27 3.068 5.952 8.971 1.00 50.00 C ATOM 0 HA PRO A 27 1.624 8.797 8.542 1.00 50.02 H new ATOM 0 HB2 PRO A 27 1.476 7.247 6.293 1.00 49.82 H new ATOM 0 HB3 PRO A 27 3.034 7.797 6.878 1.00 49.82 H new ATOM 0 HG2 PRO A 27 1.699 5.094 7.379 1.00 49.82 H new ATOM 0 HG3 PRO A 27 3.319 5.401 6.785 1.00 49.82 H new ATOM 0 HD2 PRO A 27 3.021 5.018 9.530 1.00 50.00 H new ATOM 0 HD3 PRO A 27 4.101 6.296 9.012 1.00 50.00 H new ATOM 431 N SER A 28 -0.718 8.322 7.638 1.00 49.53 N ATOM 432 CA SER A 28 -2.152 8.147 7.445 1.00 50.07 C ATOM 433 C SER A 28 -2.465 6.785 6.839 1.00 50.51 C ATOM 434 O SER A 28 -1.674 6.242 6.068 1.00 49.49 O ATOM 435 CB SER A 28 -2.700 9.254 6.566 1.00 50.05 C ATOM 436 OG SER A 28 -4.061 9.080 6.286 1.00 49.34 O ATOM 0 H SER A 28 -0.318 9.111 7.130 1.00 49.53 H new ATOM 0 HA SER A 28 -2.634 8.198 8.421 1.00 50.07 H new ATOM 0 HB2 SER A 28 -2.552 10.215 7.059 1.00 50.05 H new ATOM 0 HB3 SER A 28 -2.139 9.285 5.632 1.00 50.05 H new ATOM 0 HG SER A 28 -4.375 9.815 5.719 1.00 49.34 H new ATOM 442 N GLN A 29 -3.623 6.237 7.192 1.00 49.53 N ATOM 443 CA GLN A 29 -4.005 4.902 6.750 1.00 50.07 C ATOM 444 C GLN A 29 -3.729 4.713 5.265 1.00 50.51 C ATOM 445 O GLN A 29 -4.271 5.434 4.425 1.00 49.49 O ATOM 446 CB GLN A 29 -5.486 4.645 7.037 1.00 49.82 C ATOM 447 CG GLN A 29 -5.938 3.221 6.759 1.00 49.82 C ATOM 448 CD GLN A 29 -7.407 3.009 7.069 1.00 50.55 C ATOM 449 OE1 GLN A 29 -8.280 3.349 6.265 1.00 49.45 O ATOM 450 NE2 GLN A 29 -7.690 2.448 8.239 1.00 49.38 N ATOM 0 H GLN A 29 -4.314 6.698 7.784 1.00 49.53 H new ATOM 0 HA GLN A 29 -3.402 4.185 7.307 1.00 50.07 H new ATOM 0 HB2 GLN A 29 -5.688 4.881 8.082 1.00 49.82 H new ATOM 0 HB3 GLN A 29 -6.085 5.328 6.435 1.00 49.82 H new ATOM 0 HG2 GLN A 29 -5.752 2.982 5.712 1.00 49.82 H new ATOM 0 HG3 GLN A 29 -5.341 2.530 7.354 1.00 49.82 H new ATOM 0 HE21 GLN A 29 -6.936 2.183 8.873 1.00 49.38 H new ATOM 0 HE22 GLN A 29 -8.661 2.282 8.504 1.00 49.38 H new ATOM 459 N GLY A 30 -2.884 3.739 4.943 1.00 49.53 N ATOM 460 CA GLY A 30 -2.525 3.462 3.558 1.00 49.98 C ATOM 461 C GLY A 30 -3.545 2.542 2.898 1.00 50.51 C ATOM 462 O GLY A 30 -4.443 3.000 2.192 1.00 49.49 O ATOM 0 H GLY A 30 -2.435 3.127 5.624 1.00 49.53 H new ATOM 0 HA2 GLY A 30 -2.462 4.397 3.002 1.00 49.98 H new ATOM 0 HA3 GLY A 30 -1.538 3.001 3.521 1.00 49.98 H new ATOM 466 N LYS A 31 -3.402 1.243 3.133 1.00 49.53 N ATOM 467 CA LYS A 31 -2.360 0.734 4.018 1.00 50.07 C ATOM 468 C LYS A 31 -1.158 0.236 3.227 1.00 50.51 C ATOM 469 O LYS A 31 -1.273 -0.086 2.043 1.00 49.49 O ATOM 470 CB LYS A 31 -2.909 -0.386 4.903 1.00 49.82 C ATOM 471 CG LYS A 31 -4.015 0.049 5.856 1.00 49.82 C ATOM 472 CD LYS A 31 -4.512 -1.118 6.696 1.00 49.82 C ATOM 473 CE LYS A 31 -5.585 -0.676 7.679 1.00 50.21 C ATOM 474 NZ LYS A 31 -6.056 -1.800 8.534 1.00 49.70 N1+ ATOM 0 H LYS A 31 -3.995 0.522 2.723 1.00 49.53 H new ATOM 0 HA LYS A 31 -2.031 1.557 4.652 1.00 50.07 H new ATOM 0 HB2 LYS A 31 -3.289 -1.183 4.265 1.00 49.82 H new ATOM 0 HB3 LYS A 31 -2.089 -0.807 5.485 1.00 49.82 H new ATOM 0 HG2 LYS A 31 -3.645 0.839 6.510 1.00 49.82 H new ATOM 0 HG3 LYS A 31 -4.844 0.469 5.287 1.00 49.82 H new ATOM 0 HD2 LYS A 31 -4.912 -1.894 6.043 1.00 49.82 H new ATOM 0 HD3 LYS A 31 -3.677 -1.558 7.240 1.00 49.82 H new ATOM 0 HE2 LYS A 31 -5.192 0.120 8.311 1.00 50.21 H new ATOM 0 HE3 LYS A 31 -6.430 -0.259 7.130 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 -6.786 -1.455 9.189 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 -6.455 -2.549 7.933 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 -5.256 -2.182 9.078 1.00 49.70 H new ATOM 488 N GLY A 32 -0.007 0.173 3.885 1.00 49.53 N ATOM 489 CA GLY A 32 1.212 -0.317 3.252 1.00 49.98 C ATOM 490 C GLY A 32 1.446 -1.787 3.570 1.00 50.51 C ATOM 491 O GLY A 32 0.542 -2.484 4.031 1.00 49.49 O ATOM 0 H GLY A 32 0.108 0.455 4.858 1.00 49.53 H new ATOM 0 HA2 GLY A 32 1.144 -0.182 2.173 1.00 49.98 H new ATOM 0 HA3 GLY A 32 2.064 0.271 3.593 1.00 49.98 H new ATOM 495 N ARG A 33 2.664 -2.255 3.320 1.00 49.53 N ATOM 496 CA ARG A 33 3.025 -3.640 3.600 1.00 50.07 C ATOM 497 C ARG A 33 3.341 -3.838 5.078 1.00 50.51 C ATOM 498 O ARG A 33 3.309 -4.960 5.584 1.00 49.49 O ATOM 499 CB ARG A 33 4.164 -4.126 2.718 1.00 49.82 C ATOM 500 CG ARG A 33 3.829 -4.226 1.237 1.00 49.82 C ATOM 501 CD ARG A 33 5.013 -4.314 0.346 1.00 50.20 C ATOM 502 NE ARG A 33 5.810 -3.100 0.279 1.00 49.30 N ATOM 503 CZ ARG A 33 6.956 -2.974 -0.419 1.00 50.64 C ATOM 504 NH1 ARG A 33 7.463 -3.992 -1.079 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 7.570 -1.803 -0.404 1.00 49.20 N ATOM 0 H ARG A 33 3.419 -1.695 2.924 1.00 49.53 H new ATOM 0 HA ARG A 33 2.157 -4.253 3.358 1.00 50.07 H new ATOM 0 HB2 ARG A 33 5.011 -3.451 2.839 1.00 49.82 H new ATOM 0 HB3 ARG A 33 4.484 -5.107 3.070 1.00 49.82 H new ATOM 0 HG2 ARG A 33 3.203 -5.104 1.077 1.00 49.82 H new ATOM 0 HG3 ARG A 33 3.238 -3.356 0.951 1.00 49.82 H new ATOM 0 HD2 ARG A 33 5.648 -5.132 0.687 1.00 50.20 H new ATOM 0 HD3 ARG A 33 4.677 -4.569 -0.659 1.00 50.20 H new ATOM 0 HE ARG A 33 5.478 -2.286 0.797 1.00 49.30 H new ATOM 0 HH11 ARG A 33 6.988 -4.895 -1.068 1.00 49.20 H new ATOM 0 HH12 ARG A 33 8.331 -3.879 -1.602 1.00 49.20 H new ATOM 0 HH21 ARG A 33 7.174 -1.026 0.126 1.00 49.20 H new ATOM 0 HH22 ARG A 33 8.439 -1.676 -0.922 1.00 49.20 H new ATOM 519 N GLY A 34 3.647 -2.743 5.764 1.00 49.53 N ATOM 520 CA GLY A 34 3.836 -2.772 7.209 1.00 49.98 C ATOM 521 C GLY A 34 5.276 -3.115 7.570 1.00 50.51 C ATOM 522 O GLY A 34 5.527 -3.917 8.469 1.00 49.49 O ATOM 0 H GLY A 34 3.770 -1.823 5.342 1.00 49.53 H new ATOM 0 HA2 GLY A 34 3.573 -1.802 7.632 1.00 49.98 H new ATOM 0 HA3 GLY A 34 3.163 -3.506 7.652 1.00 49.98 H new ATOM 526 N LEU A 35 6.219 -2.502 6.863 1.00 49.53 N ATOM 527 CA LEU A 35 7.637 -2.704 7.139 1.00 50.07 C ATOM 528 C LEU A 35 8.289 -1.420 7.637 1.00 50.51 C ATOM 529 O LEU A 35 9.375 -1.449 8.216 1.00 49.49 O ATOM 530 CB LEU A 35 8.353 -3.216 5.884 1.00 49.82 C ATOM 531 CG LEU A 35 7.791 -4.515 5.295 1.00 49.91 C ATOM 532 CD1 LEU A 35 8.497 -4.844 3.986 1.00 49.73 C ATOM 533 CD2 LEU A 35 7.961 -5.645 6.298 1.00 49.73 C ATOM 0 H LEU A 35 6.027 -1.860 6.094 1.00 49.53 H new ATOM 0 HA LEU A 35 7.726 -3.452 7.927 1.00 50.07 H new ATOM 0 HB2 LEU A 35 8.310 -2.441 5.119 1.00 49.82 H new ATOM 0 HB3 LEU A 35 9.405 -3.370 6.123 1.00 49.82 H new ATOM 0 HG LEU A 35 6.729 -4.389 5.087 1.00 49.91 H new ATOM 0 HD11 LEU A 35 8.091 -5.768 3.576 1.00 49.73 H new ATOM 0 HD12 LEU A 35 8.342 -4.032 3.275 1.00 49.73 H new ATOM 0 HD13 LEU A 35 9.564 -4.967 4.169 1.00 49.73 H new ATOM 0 HD21 LEU A 35 7.561 -6.568 5.878 1.00 49.73 H new ATOM 0 HD22 LEU A 35 9.020 -5.777 6.521 1.00 49.73 H new ATOM 0 HD23 LEU A 35 7.424 -5.401 7.215 1.00 49.73 H new ATOM 545 N SER A 36 7.621 -0.295 7.407 1.00 49.53 N ATOM 546 CA SER A 36 8.120 0.998 7.858 1.00 50.07 C ATOM 547 C SER A 36 8.268 1.034 9.374 1.00 50.51 C ATOM 548 O SER A 36 8.678 2.045 9.944 1.00 49.49 O ATOM 549 CB SER A 36 7.197 2.106 7.391 1.00 50.05 C ATOM 550 OG SER A 36 7.617 3.366 7.839 1.00 49.34 O ATOM 0 H SER A 36 6.731 -0.253 6.910 1.00 49.53 H new ATOM 0 HA SER A 36 9.107 1.151 7.422 1.00 50.07 H new ATOM 0 HB2 SER A 36 7.153 2.105 6.302 1.00 50.05 H new ATOM 0 HB3 SER A 36 6.187 1.912 7.751 1.00 50.05 H new ATOM 0 HG SER A 36 7.041 4.059 7.454 1.00 49.34 H new TER 556 SER A 36