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 6 THR OG1 : rot 180:sc= 0.378 USER MOD Set 1.2: A 7 GLN : amide:sc= 0.386 X(o=0.76,f=0.66) 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= 0.887 K(o=0.89,f=-0.028) USER MOD Single : A 3 HIS : no HE2:sc= -0.677 K(o=-0.68,f=-3.9!) USER MOD Single : A 10 ASN : amide:sc= -2.37! C(o=-2.4!,f=-15!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0.974 (180deg=0.93) USER MOD Single : A 18 ASN : amide:sc= -0.0149 K(o=-0.015,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 24 THR OG1 : rot -140:sc=-0.00426 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -19:sc= 0.783 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.937 -0.750 9.188 1.00 49.53 N ATOM 2 CA SER A 1 -2.317 0.406 8.385 1.00 50.07 C ATOM 3 C SER A 1 -2.100 0.139 6.901 1.00 50.51 C ATOM 4 O SER A 1 -1.028 -0.304 6.489 1.00 49.49 O ATOM 5 CB SER A 1 -1.532 1.628 8.822 1.00 50.05 C ATOM 6 OG SER A 1 -1.772 2.732 7.995 1.00 49.34 O ATOM 0 H1 SER A 1 -2.095 -0.541 10.194 1.00 49.53 H new ATOM 0 H2 SER A 1 -2.513 -1.570 8.910 1.00 49.53 H new ATOM 0 H3 SER A 1 -0.931 -0.965 9.033 1.00 49.53 H new ATOM 0 HA SER A 1 -3.379 0.594 8.541 1.00 50.07 H new ATOM 0 HB2 SER A 1 -1.797 1.880 9.849 1.00 50.05 H new ATOM 0 HB3 SER A 1 -0.467 1.396 8.816 1.00 50.05 H new ATOM 0 HG SER A 1 -1.249 3.498 8.312 1.00 49.34 H new ATOM 12 N GLN A 2 -3.125 0.412 6.100 1.00 49.53 N ATOM 13 CA GLN A 2 -3.022 0.281 4.651 1.00 50.07 C ATOM 14 C GLN A 2 -2.178 1.400 4.055 1.00 50.51 C ATOM 15 O GLN A 2 -2.402 2.577 4.338 1.00 49.49 O ATOM 16 CB GLN A 2 -4.413 0.286 4.012 1.00 49.82 C ATOM 17 CG GLN A 2 -4.402 0.206 2.496 1.00 49.82 C ATOM 18 CD GLN A 2 -3.927 -1.142 1.990 1.00 50.55 C ATOM 19 OE1 GLN A 2 -4.466 -2.187 2.366 1.00 49.45 O ATOM 20 NE2 GLN A 2 -2.909 -1.128 1.138 1.00 49.38 N ATOM 0 H GLN A 2 -4.038 0.726 6.430 1.00 49.53 H new ATOM 0 HA GLN A 2 -2.534 -0.670 4.439 1.00 50.07 H new ATOM 0 HB2 GLN A 2 -4.984 -0.555 4.405 1.00 49.82 H new ATOM 0 HB3 GLN A 2 -4.935 1.194 4.313 1.00 49.82 H new ATOM 0 HG2 GLN A 2 -5.406 0.399 2.118 1.00 49.82 H new ATOM 0 HG3 GLN A 2 -3.755 0.988 2.099 1.00 49.82 H new ATOM 0 HE21 GLN A 2 -2.494 -0.241 0.854 1.00 49.38 H new ATOM 0 HE22 GLN A 2 -2.542 -2.005 0.767 1.00 49.38 H new ATOM 29 N HIS A 3 -1.208 1.026 3.229 1.00 49.53 N ATOM 30 CA HIS A 3 -0.345 2.000 2.570 1.00 50.07 C ATOM 31 C HIS A 3 -0.589 2.024 1.067 1.00 50.51 C ATOM 32 O HIS A 3 -1.288 1.167 0.527 1.00 49.49 O ATOM 33 CB HIS A 3 1.129 1.697 2.856 1.00 49.92 C ATOM 34 CG HIS A 3 1.454 1.614 4.315 1.00 50.22 C ATOM 35 ND1 HIS A 3 1.650 2.732 5.098 1.00 49.30 N ATOM 36 CD2 HIS A 3 1.619 0.548 5.132 1.00 49.95 C ATOM 37 CE1 HIS A 3 1.920 2.356 6.336 1.00 50.25 C ATOM 38 NE2 HIS A 3 1.908 1.037 6.383 1.00 49.64 N ATOM 0 H HIS A 3 -0.999 0.054 2.999 1.00 49.53 H new ATOM 0 HA HIS A 3 -0.588 2.983 2.973 1.00 50.07 H new ATOM 0 HB2 HIS A 3 1.396 0.754 2.379 1.00 49.92 H new ATOM 0 HB3 HIS A 3 1.745 2.471 2.399 1.00 49.92 H new ATOM 0 HD1 HIS A 3 1.595 3.697 4.773 1.00 49.30 H new ATOM 0 HD2 HIS A 3 1.539 -0.492 4.853 1.00 49.95 H new ATOM 0 HE1 HIS A 3 2.117 3.016 7.168 1.00 50.25 H new ATOM 46 N GLY A 4 -0.009 3.013 0.394 1.00 49.53 N ATOM 47 CA GLY A 4 -0.202 3.179 -1.042 1.00 49.98 C ATOM 48 C GLY A 4 0.596 2.145 -1.827 1.00 50.51 C ATOM 49 O GLY A 4 1.630 1.663 -1.365 1.00 49.49 O ATOM 0 H GLY A 4 0.599 3.712 0.821 1.00 49.53 H new ATOM 0 HA2 GLY A 4 -1.261 3.085 -1.283 1.00 49.98 H new ATOM 0 HA3 GLY A 4 0.105 4.182 -1.340 1.00 49.98 H new ATOM 53 N ARG A 5 0.108 1.809 -3.016 1.00 49.53 N ATOM 54 CA ARG A 5 0.789 0.853 -3.881 1.00 50.07 C ATOM 55 C ARG A 5 1.988 1.491 -4.570 1.00 50.51 C ATOM 56 O ARG A 5 2.921 0.800 -4.981 1.00 49.49 O ATOM 57 CB ARG A 5 -0.157 0.213 -4.887 1.00 49.82 C ATOM 58 CG ARG A 5 -1.223 -0.685 -4.282 1.00 49.82 C ATOM 59 CD ARG A 5 -2.141 -1.301 -5.274 1.00 50.20 C ATOM 60 NE ARG A 5 -1.509 -2.261 -6.164 1.00 49.30 N ATOM 61 CZ ARG A 5 -2.103 -2.811 -7.242 1.00 50.64 C ATOM 62 NH1 ARG A 5 -3.350 -2.528 -7.545 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 -1.403 -3.661 -7.973 1.00 49.20 N ATOM 0 H ARG A 5 -0.758 2.185 -3.403 1.00 49.53 H new ATOM 0 HA ARG A 5 1.159 0.050 -3.243 1.00 50.07 H new ATOM 0 HB2 ARG A 5 -0.648 1.003 -5.455 1.00 49.82 H new ATOM 0 HB3 ARG A 5 0.430 -0.371 -5.595 1.00 49.82 H new ATOM 0 HG2 ARG A 5 -0.734 -1.478 -3.716 1.00 49.82 H new ATOM 0 HG3 ARG A 5 -1.812 -0.103 -3.573 1.00 49.82 H new ATOM 0 HD2 ARG A 5 -2.952 -1.798 -4.741 1.00 50.20 H new ATOM 0 HD3 ARG A 5 -2.591 -0.510 -5.874 1.00 50.20 H new ATOM 0 HE ARG A 5 -0.549 -2.538 -5.959 1.00 49.30 H new ATOM 0 HH11 ARG A 5 -3.883 -1.884 -6.961 1.00 49.20 H new ATOM 0 HH12 ARG A 5 -3.785 -2.953 -8.364 1.00 49.20 H new ATOM 0 HH21 ARG A 5 -0.442 -3.884 -7.715 1.00 49.20 H new ATOM 0 HH22 ARG A 5 -1.824 -4.094 -8.795 1.00 49.20 H new ATOM 77 N THR A 6 1.959 2.814 -4.694 1.00 49.53 N ATOM 78 CA THR A 6 3.087 3.557 -5.240 1.00 50.07 C ATOM 79 C THR A 6 3.713 4.464 -4.187 1.00 50.51 C ATOM 80 O THR A 6 4.788 5.024 -4.396 1.00 49.49 O ATOM 81 CB THR A 6 2.668 4.409 -6.453 1.00 50.14 C ATOM 82 OG1 THR A 6 1.677 5.363 -6.050 1.00 49.34 O ATOM 83 CG2 THR A 6 2.101 3.528 -7.554 1.00 49.73 C ATOM 0 H THR A 6 1.165 3.394 -4.423 1.00 49.53 H new ATOM 0 HA THR A 6 3.822 2.819 -5.562 1.00 50.07 H new ATOM 0 HB THR A 6 3.547 4.928 -6.835 1.00 50.14 H new ATOM 0 HG1 THR A 6 1.412 5.906 -6.822 1.00 49.34 H new ATOM 0 HG21 THR A 6 1.811 4.148 -8.402 1.00 49.73 H new ATOM 0 HG22 THR A 6 2.857 2.810 -7.871 1.00 49.73 H new ATOM 0 HG23 THR A 6 1.228 2.994 -7.179 1.00 49.73 H new ATOM 91 N GLN A 7 3.030 4.604 -3.055 1.00 49.53 N ATOM 92 CA GLN A 7 3.470 5.515 -2.005 1.00 50.07 C ATOM 93 C GLN A 7 4.191 4.765 -0.893 1.00 50.51 C ATOM 94 O GLN A 7 4.698 5.371 0.051 1.00 49.49 O ATOM 95 CB GLN A 7 2.277 6.278 -1.424 1.00 49.82 C ATOM 96 CG GLN A 7 1.448 7.019 -2.460 1.00 49.82 C ATOM 97 CD GLN A 7 2.262 8.046 -3.224 1.00 50.55 C ATOM 98 OE1 GLN A 7 2.825 8.975 -2.637 1.00 49.45 O ATOM 99 NE2 GLN A 7 2.324 7.889 -4.542 1.00 49.38 N ATOM 0 H GLN A 7 2.170 4.098 -2.842 1.00 49.53 H new ATOM 0 HA GLN A 7 4.167 6.224 -2.452 1.00 50.07 H new ATOM 0 HB2 GLN A 7 1.633 5.575 -0.895 1.00 49.82 H new ATOM 0 HB3 GLN A 7 2.642 6.994 -0.687 1.00 49.82 H new ATOM 0 HG2 GLN A 7 1.022 6.302 -3.162 1.00 49.82 H new ATOM 0 HG3 GLN A 7 0.613 7.516 -1.966 1.00 49.82 H new ATOM 0 HE21 GLN A 7 1.843 7.106 -4.986 1.00 49.38 H new ATOM 0 HE22 GLN A 7 2.852 8.551 -5.110 1.00 49.38 H new ATOM 108 N ASP A 8 4.234 3.442 -1.008 1.00 49.53 N ATOM 109 CA ASP A 8 4.963 2.612 -0.056 1.00 50.07 C ATOM 110 C ASP A 8 6.459 2.888 -0.117 1.00 50.51 C ATOM 111 O ASP A 8 7.108 2.625 -1.129 1.00 49.49 O ATOM 112 CB ASP A 8 4.690 1.129 -0.319 1.00 49.72 C ATOM 113 CG ASP A 8 5.319 0.185 0.697 1.00 50.62 C ATOM 114 OD1 ASP A 8 6.034 0.653 1.551 1.00 49.24 O ATOM 115 OD2 ASP A 8 4.956 -0.967 0.710 1.00 49.24 O1- ATOM 0 H ASP A 8 3.772 2.921 -1.753 1.00 49.53 H new ATOM 0 HA ASP A 8 4.611 2.865 0.944 1.00 50.07 H new ATOM 0 HB2 ASP A 8 3.612 0.967 -0.329 1.00 49.72 H new ATOM 0 HB3 ASP A 8 5.060 0.874 -1.312 1.00 49.72 H new ATOM 120 N GLU A 9 7.003 3.419 0.974 1.00 49.53 N ATOM 121 CA GLU A 9 8.427 3.720 1.050 1.00 50.07 C ATOM 122 C GLU A 9 9.263 2.447 0.989 1.00 50.51 C ATOM 123 O GLU A 9 8.862 1.404 1.505 1.00 49.49 O ATOM 124 CB GLU A 9 8.742 4.493 2.333 1.00 49.82 C ATOM 125 CG GLU A 9 8.178 5.907 2.369 1.00 49.72 C ATOM 126 CD GLU A 9 8.535 6.605 3.652 1.00 50.62 C ATOM 127 OE1 GLU A 9 9.702 6.702 3.949 1.00 49.24 O ATOM 128 OE2 GLU A 9 7.652 7.140 4.278 1.00 49.24 O1- ATOM 0 H GLU A 9 6.478 3.649 1.818 1.00 49.53 H new ATOM 0 HA GLU A 9 8.684 4.339 0.190 1.00 50.07 H new ATOM 0 HB2 GLU A 9 8.349 3.936 3.184 1.00 49.82 H new ATOM 0 HB3 GLU A 9 9.824 4.543 2.456 1.00 49.82 H new ATOM 0 HG2 GLU A 9 8.564 6.476 1.523 1.00 49.72 H new ATOM 0 HG3 GLU A 9 7.094 5.871 2.261 1.00 49.72 H new ATOM 135 N ASN A 10 10.426 2.541 0.354 1.00 49.53 N ATOM 136 CA ASN A 10 11.359 1.421 0.295 1.00 50.07 C ATOM 137 C ASN A 10 11.682 0.900 1.690 1.00 50.51 C ATOM 138 O ASN A 10 12.185 1.638 2.537 1.00 49.49 O ATOM 139 CB ASN A 10 12.636 1.800 -0.432 1.00 49.82 C ATOM 140 CG ASN A 10 13.545 0.635 -0.706 1.00 50.55 C ATOM 141 OD1 ASN A 10 13.462 -0.410 -0.051 1.00 49.45 O ATOM 142 ND2 ASN A 10 14.466 0.837 -1.614 1.00 49.38 N ATOM 0 H ASN A 10 10.746 3.381 -0.127 1.00 49.53 H new ATOM 0 HA ASN A 10 10.871 0.625 -0.267 1.00 50.07 H new ATOM 0 HB2 ASN A 10 12.377 2.277 -1.377 1.00 49.82 H new ATOM 0 HB3 ASN A 10 13.175 2.539 0.161 1.00 49.82 H new ATOM 0 HD21 ASN A 10 15.158 0.113 -1.808 1.00 49.38 H new ATOM 0 HD22 ASN A 10 14.491 1.718 -2.128 1.00 49.38 H new ATOM 149 N PRO A 11 11.389 -0.375 1.921 1.00 49.71 N ATOM 150 CA PRO A 11 11.623 -0.990 3.223 1.00 50.02 C ATOM 151 C PRO A 11 13.053 -0.760 3.692 1.00 50.51 C ATOM 152 O PRO A 11 13.306 -0.593 4.886 1.00 49.49 O ATOM 153 CB PRO A 11 11.322 -2.480 2.993 1.00 49.82 C ATOM 154 CG PRO A 11 10.307 -2.505 1.885 1.00 49.82 C ATOM 155 CD PRO A 11 11.052 -1.366 0.892 1.00 50.00 C ATOM 0 HA PRO A 11 10.999 -0.565 4.009 1.00 50.02 H new ATOM 0 HB2 PRO A 11 12.223 -3.026 2.715 1.00 49.82 H new ATOM 0 HB3 PRO A 11 10.931 -2.948 3.897 1.00 49.82 H new ATOM 0 HG2 PRO A 11 10.208 -3.484 1.416 1.00 49.82 H new ATOM 0 HG3 PRO A 11 9.311 -2.205 2.209 1.00 49.82 H new ATOM 0 HD2 PRO A 11 11.930 -1.760 0.379 1.00 50.00 H new ATOM 0 HD3 PRO A 11 10.385 -0.971 0.125 1.00 50.00 H new ATOM 163 N VAL A 12 13.986 -0.751 2.748 1.00 49.53 N ATOM 164 CA VAL A 12 15.396 -0.548 3.064 1.00 50.07 C ATOM 165 C VAL A 12 15.658 0.884 3.512 1.00 50.51 C ATOM 166 O VAL A 12 16.361 1.118 4.495 1.00 49.49 O ATOM 167 CB VAL A 12 16.298 -0.873 1.859 1.00 49.91 C ATOM 168 CG1 VAL A 12 17.738 -0.477 2.150 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.214 -2.352 1.513 1.00 49.73 C ATOM 0 H VAL A 12 13.792 -0.882 1.755 1.00 49.53 H new ATOM 0 HA VAL A 12 15.637 -1.230 3.879 1.00 50.07 H new ATOM 0 HB VAL A 12 15.947 -0.298 1.002 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.362 -0.714 1.288 1.00 49.73 H new ATOM 0 HG12 VAL A 12 17.788 0.593 2.351 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.098 -1.026 3.020 1.00 49.73 H new ATOM 0 HG21 VAL A 12 16.858 -2.563 0.659 1.00 49.73 H new ATOM 0 HG22 VAL A 12 16.539 -2.945 2.368 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.185 -2.609 1.264 1.00 49.73 H new ATOM 179 N VAL A 13 15.090 1.839 2.784 1.00 49.53 N ATOM 180 CA VAL A 13 15.224 3.249 3.132 1.00 50.07 C ATOM 181 C VAL A 13 14.538 3.557 4.456 1.00 50.51 C ATOM 182 O VAL A 13 15.038 4.346 5.258 1.00 49.49 O ATOM 183 CB VAL A 13 14.638 4.160 2.037 1.00 49.91 C ATOM 184 CG1 VAL A 13 14.618 5.608 2.503 1.00 49.73 C ATOM 185 CG2 VAL A 13 15.438 4.028 0.749 1.00 49.73 C ATOM 0 H VAL A 13 14.532 1.662 1.949 1.00 49.53 H new ATOM 0 HA VAL A 13 16.291 3.449 3.225 1.00 50.07 H new ATOM 0 HB VAL A 13 13.613 3.846 1.841 1.00 49.91 H new ATOM 0 HG11 VAL A 13 14.201 6.237 1.717 1.00 49.73 H new ATOM 0 HG12 VAL A 13 14.004 5.693 3.400 1.00 49.73 H new ATOM 0 HG13 VAL A 13 15.634 5.932 2.727 1.00 49.73 H new ATOM 0 HG21 VAL A 13 15.010 4.679 -0.014 1.00 49.73 H new ATOM 0 HG22 VAL A 13 16.473 4.316 0.932 1.00 49.73 H new ATOM 0 HG23 VAL A 13 15.405 2.994 0.404 1.00 49.73 H new ATOM 195 N HIS A 14 13.387 2.930 4.680 1.00 49.53 N ATOM 196 CA HIS A 14 12.646 3.109 5.923 1.00 50.07 C ATOM 197 C HIS A 14 13.426 2.563 7.112 1.00 50.51 C ATOM 198 O HIS A 14 13.438 3.163 8.187 1.00 49.49 O ATOM 199 CB HIS A 14 11.276 2.430 5.839 1.00 49.92 C ATOM 200 CG HIS A 14 10.422 2.644 7.049 1.00 50.22 C ATOM 201 ND1 HIS A 14 9.871 3.869 7.363 1.00 49.30 N ATOM 202 CD2 HIS A 14 10.026 1.793 8.024 1.00 49.95 C ATOM 203 CE1 HIS A 14 9.171 3.760 8.478 1.00 50.25 C ATOM 204 NE2 HIS A 14 9.250 2.511 8.900 1.00 49.64 N ATOM 0 H HIS A 14 12.947 2.293 4.016 1.00 49.53 H new ATOM 0 HA HIS A 14 12.501 4.179 6.070 1.00 50.07 H new ATOM 0 HB2 HIS A 14 10.748 2.805 4.962 1.00 49.92 H new ATOM 0 HB3 HIS A 14 11.420 1.360 5.691 1.00 49.92 H new ATOM 0 HD2 HIS A 14 10.274 0.745 8.099 1.00 49.95 H new ATOM 0 HE1 HIS A 14 8.626 4.557 8.962 1.00 50.25 H new ATOM 0 HE2 HIS A 14 8.807 2.140 9.740 1.00 49.64 H new ATOM 212 N PHE A 15 14.074 1.420 6.914 1.00 49.53 N ATOM 213 CA PHE A 15 14.978 0.868 7.917 1.00 50.07 C ATOM 214 C PHE A 15 16.070 1.864 8.282 1.00 50.51 C ATOM 215 O PHE A 15 16.349 2.090 9.460 1.00 49.49 O ATOM 216 CB PHE A 15 15.601 -0.436 7.415 1.00 49.82 C ATOM 217 CG PHE A 15 16.607 -1.029 8.358 1.00 50.00 C ATOM 218 CD1 PHE A 15 16.197 -1.687 9.509 1.00 49.88 C ATOM 219 CD2 PHE A 15 17.966 -0.931 8.099 1.00 49.88 C ATOM 220 CE1 PHE A 15 17.122 -2.234 10.378 1.00 49.88 C ATOM 221 CE2 PHE A 15 18.893 -1.477 8.966 1.00 49.88 C ATOM 222 CZ PHE A 15 18.469 -2.129 10.107 1.00 49.88 C ATOM 0 H PHE A 15 13.990 0.857 6.067 1.00 49.53 H new ATOM 0 HA PHE A 15 14.395 0.660 8.814 1.00 50.07 H new ATOM 0 HB2 PHE A 15 14.808 -1.163 7.240 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.082 -0.252 6.454 1.00 49.82 H new ATOM 0 HD1 PHE A 15 15.143 -1.773 9.728 1.00 49.88 H new ATOM 0 HD2 PHE A 15 18.304 -0.422 7.209 1.00 49.88 H new ATOM 0 HE1 PHE A 15 16.789 -2.744 11.270 1.00 49.88 H new ATOM 0 HE2 PHE A 15 19.948 -1.394 8.751 1.00 49.88 H new ATOM 0 HZ PHE A 15 19.192 -2.556 10.786 1.00 49.88 H new ATOM 232 N PHE A 16 16.685 2.460 7.266 1.00 49.53 N ATOM 233 CA PHE A 16 17.658 3.525 7.477 1.00 50.07 C ATOM 234 C PHE A 16 17.055 4.669 8.283 1.00 50.51 C ATOM 235 O PHE A 16 17.657 5.145 9.246 1.00 49.49 O ATOM 236 CB PHE A 16 18.180 4.045 6.136 1.00 49.82 C ATOM 237 CG PHE A 16 19.091 5.232 6.260 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.423 5.070 6.615 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.620 6.514 6.023 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.262 6.161 6.730 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.457 7.608 6.135 1.00 49.88 C ATOM 242 CZ PHE A 16 20.780 7.431 6.489 1.00 49.88 C ATOM 0 H PHE A 16 16.526 2.223 6.287 1.00 49.53 H new ATOM 0 HA PHE A 16 18.491 3.110 8.045 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.713 3.241 5.628 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.332 4.314 5.506 1.00 49.82 H new ATOM 0 HD1 PHE A 16 20.808 4.079 6.804 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.586 6.660 5.747 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.296 6.020 7.009 1.00 49.88 H new ATOM 0 HE2 PHE A 16 19.077 8.601 5.946 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.436 8.285 6.577 1.00 49.88 H new ATOM 252 N LYS A 17 15.866 5.106 7.884 1.00 49.53 N ATOM 253 CA LYS A 17 15.180 6.193 8.570 1.00 50.07 C ATOM 254 C LYS A 17 14.907 5.842 10.027 1.00 50.51 C ATOM 255 O LYS A 17 14.934 6.709 10.901 1.00 49.49 O ATOM 256 CB LYS A 17 13.870 6.534 7.858 1.00 49.82 C ATOM 257 CG LYS A 17 14.046 7.269 6.536 1.00 49.82 C ATOM 258 CD LYS A 17 12.703 7.666 5.941 1.00 49.82 C ATOM 259 CE LYS A 17 12.877 8.419 4.630 1.00 50.21 C ATOM 260 NZ LYS A 17 11.578 8.904 4.089 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.357 4.723 7.087 1.00 49.53 H new ATOM 0 HA LYS A 17 15.834 7.065 8.547 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.318 5.612 7.676 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.259 7.146 8.521 1.00 49.82 H new ATOM 0 HG2 LYS A 17 14.655 8.160 6.691 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.584 6.633 5.833 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.100 6.774 5.773 1.00 49.82 H new ATOM 0 HD3 LYS A 17 12.159 8.289 6.651 1.00 49.82 H new ATOM 0 HE2 LYS A 17 13.544 9.267 4.785 1.00 50.21 H new ATOM 0 HE3 LYS A 17 13.354 7.767 3.898 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 11.722 9.291 3.134 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 10.904 8.113 4.044 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 11.199 9.647 4.710 1.00 49.70 H new ATOM 274 N ASN A 18 14.646 4.565 10.283 1.00 49.53 N ATOM 275 CA ASN A 18 14.420 4.086 11.642 1.00 50.07 C ATOM 276 C ASN A 18 15.655 4.288 12.510 1.00 50.51 C ATOM 277 O ASN A 18 15.548 4.562 13.705 1.00 49.49 O ATOM 278 CB ASN A 18 14.003 2.627 11.654 1.00 49.82 C ATOM 279 CG ASN A 18 12.590 2.397 11.193 1.00 50.55 C ATOM 280 OD1 ASN A 18 11.751 3.303 11.224 1.00 49.45 O ATOM 281 ND2 ASN A 18 12.304 1.169 10.842 1.00 49.38 N ATOM 0 H ASN A 18 14.586 3.842 9.566 1.00 49.53 H new ATOM 0 HA ASN A 18 13.605 4.677 12.060 1.00 50.07 H new ATOM 0 HB2 ASN A 18 14.681 2.060 11.016 1.00 49.82 H new ATOM 0 HB3 ASN A 18 14.114 2.235 12.665 1.00 49.82 H new ATOM 0 HD21 ASN A 18 11.350 0.923 10.577 1.00 49.38 H new ATOM 0 HD22 ASN A 18 13.035 0.458 10.833 1.00 49.38 H new ATOM 288 N ILE A 19 16.829 4.153 11.901 1.00 49.53 N ATOM 289 CA ILE A 19 18.087 4.274 12.627 1.00 50.07 C ATOM 290 C ILE A 19 18.398 5.730 12.951 1.00 50.51 C ATOM 291 O ILE A 19 18.742 6.064 14.085 1.00 49.49 O ATOM 292 CB ILE A 19 19.260 3.673 11.830 1.00 49.91 C ATOM 293 CG1 ILE A 19 19.089 2.158 11.691 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.583 4.004 12.501 1.00 49.73 C ATOM 295 CD1 ILE A 19 20.041 1.525 10.701 1.00 49.73 C ATOM 0 H ILE A 19 16.935 3.959 10.905 1.00 49.53 H new ATOM 0 HA ILE A 19 17.968 3.716 13.556 1.00 50.07 H new ATOM 0 HB ILE A 19 19.263 4.112 10.832 1.00 49.91 H new ATOM 0 HG12 ILE A 19 19.233 1.694 12.667 1.00 49.82 H new ATOM 0 HG13 ILE A 19 18.065 1.944 11.384 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.401 3.572 11.925 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.705 5.086 12.550 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.592 3.592 13.510 1.00 49.73 H new ATOM 0 HD11 ILE A 19 19.860 0.451 10.657 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.882 1.960 9.714 1.00 49.73 H new ATOM 0 HD13 ILE A 19 21.068 1.707 11.017 1.00 49.73 H new ATOM 307 N VAL A 20 18.276 6.592 11.947 1.00 49.53 N ATOM 308 CA VAL A 20 18.710 7.979 12.072 1.00 50.07 C ATOM 309 C VAL A 20 17.577 8.868 12.569 1.00 50.51 C ATOM 310 O VAL A 20 17.814 9.962 13.082 1.00 49.49 O ATOM 311 CB VAL A 20 19.232 8.531 10.732 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.388 7.684 10.221 1.00 49.73 C ATOM 313 CG2 VAL A 20 18.113 8.579 9.703 1.00 49.73 C ATOM 0 H VAL A 20 17.880 6.355 11.037 1.00 49.53 H new ATOM 0 HA VAL A 20 19.522 7.989 12.799 1.00 50.07 H new ATOM 0 HB VAL A 20 19.594 9.546 10.896 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.744 8.088 9.274 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.199 7.698 10.949 1.00 49.73 H new ATOM 0 HG13 VAL A 20 20.050 6.658 10.074 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.500 8.972 8.763 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.722 7.574 9.543 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.314 9.226 10.065 1.00 49.73 H new ATOM 323 N THR A 21 16.347 8.391 12.415 1.00 49.53 N ATOM 324 CA THR A 21 15.175 9.136 12.859 1.00 50.07 C ATOM 325 C THR A 21 14.209 8.240 13.622 1.00 50.51 C ATOM 326 O THR A 21 13.354 7.583 13.026 1.00 49.49 O ATOM 327 CB THR A 21 14.434 9.783 11.675 1.00 50.14 C ATOM 328 OG1 THR A 21 15.349 10.582 10.914 1.00 49.34 O ATOM 329 CG2 THR A 21 13.294 10.659 12.173 1.00 49.73 C ATOM 0 H THR A 21 16.136 7.490 11.985 1.00 49.53 H new ATOM 0 HA THR A 21 15.536 9.922 13.522 1.00 50.07 H new ATOM 0 HB THR A 21 14.023 8.992 11.048 1.00 50.14 H new ATOM 0 HG1 THR A 21 14.876 10.992 10.160 1.00 49.34 H new ATOM 0 HG21 THR A 21 12.782 11.108 11.322 1.00 49.73 H new ATOM 0 HG22 THR A 21 12.590 10.051 12.741 1.00 49.73 H new ATOM 0 HG23 THR A 21 13.693 11.446 12.813 1.00 49.73 H new ATOM 337 N PRO A 22 14.348 8.216 14.944 1.00 49.71 N ATOM 338 CA PRO A 22 13.548 7.332 15.782 1.00 50.02 C ATOM 339 C PRO A 22 12.059 7.574 15.574 1.00 50.51 C ATOM 340 O PRO A 22 11.242 6.670 15.756 1.00 49.49 O ATOM 341 CB PRO A 22 13.994 7.669 17.215 1.00 49.82 C ATOM 342 CG PRO A 22 15.400 8.183 17.073 1.00 49.82 C ATOM 343 CD PRO A 22 15.187 9.124 15.736 1.00 50.00 C ATOM 0 HA PRO A 22 13.697 6.278 15.547 1.00 50.02 H new ATOM 0 HB2 PRO A 22 13.343 8.419 17.665 1.00 49.82 H new ATOM 0 HB3 PRO A 22 13.958 6.789 17.857 1.00 49.82 H new ATOM 0 HG2 PRO A 22 15.731 8.752 17.942 1.00 49.82 H new ATOM 0 HG3 PRO A 22 16.127 7.386 16.917 1.00 49.82 H new ATOM 0 HD2 PRO A 22 14.690 10.068 15.961 1.00 50.00 H new ATOM 0 HD3 PRO A 22 16.126 9.369 15.240 1.00 50.00 H new ATOM 351 N ARG A 23 11.711 8.797 15.191 1.00 49.53 N ATOM 352 CA ARG A 23 10.313 9.193 15.067 1.00 50.07 C ATOM 353 C ARG A 23 9.923 9.387 13.607 1.00 50.51 C ATOM 354 O ARG A 23 9.062 10.207 13.289 1.00 49.49 O ATOM 355 CB ARG A 23 9.988 10.424 15.899 1.00 49.82 C ATOM 356 CG ARG A 23 10.156 10.245 17.399 1.00 49.82 C ATOM 357 CD ARG A 23 9.660 11.386 18.212 1.00 50.20 C ATOM 358 NE ARG A 23 9.725 11.175 19.649 1.00 49.30 N ATOM 359 CZ ARG A 23 9.328 12.072 20.572 1.00 50.64 C ATOM 360 NH1 ARG A 23 8.874 13.254 20.218 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 9.431 11.742 21.848 1.00 49.20 N ATOM 0 H ARG A 23 12.379 9.533 14.961 1.00 49.53 H new ATOM 0 HA ARG A 23 9.713 8.376 15.468 1.00 50.07 H new ATOM 0 HB2 ARG A 23 10.627 11.245 15.572 1.00 49.82 H new ATOM 0 HB3 ARG A 23 8.959 10.720 15.696 1.00 49.82 H new ATOM 0 HG2 ARG A 23 9.631 9.340 17.706 1.00 49.82 H new ATOM 0 HG3 ARG A 23 11.212 10.090 17.618 1.00 49.82 H new ATOM 0 HD2 ARG A 23 10.240 12.274 17.961 1.00 50.20 H new ATOM 0 HD3 ARG A 23 8.626 11.592 17.934 1.00 50.20 H new ATOM 0 HE ARG A 23 10.097 10.285 19.981 1.00 49.30 H new ATOM 0 HH11 ARG A 23 8.818 13.504 19.231 1.00 49.20 H new ATOM 0 HH12 ARG A 23 8.578 13.921 20.931 1.00 49.20 H new ATOM 0 HH21 ARG A 23 9.803 10.829 22.110 1.00 49.20 H new ATOM 0 HH22 ARG A 23 9.139 12.400 22.570 1.00 49.20 H new ATOM 375 N THR A 24 10.562 8.628 12.723 1.00 49.53 N ATOM 376 CA THR A 24 10.250 8.684 11.300 1.00 50.07 C ATOM 377 C THR A 24 8.827 8.216 11.029 1.00 50.51 C ATOM 378 O THR A 24 8.351 7.256 11.636 1.00 49.49 O ATOM 379 CB THR A 24 11.227 7.825 10.474 1.00 50.14 C ATOM 380 OG1 THR A 24 10.902 7.932 9.082 1.00 49.34 O ATOM 381 CG2 THR A 24 11.146 6.367 10.899 1.00 49.73 C ATOM 0 H THR A 24 11.299 7.967 12.967 1.00 49.53 H new ATOM 0 HA THR A 24 10.350 9.726 10.998 1.00 50.07 H new ATOM 0 HB THR A 24 12.240 8.187 10.647 1.00 50.14 H new ATOM 0 HG1 THR A 24 10.996 7.055 8.656 1.00 49.34 H new ATOM 0 HG21 THR A 24 11.843 5.776 10.305 1.00 49.73 H new ATOM 0 HG22 THR A 24 11.405 6.281 11.954 1.00 49.73 H new ATOM 0 HG23 THR A 24 10.132 5.998 10.743 1.00 49.73 H new ATOM 389 N PRO A 25 8.148 8.900 10.114 1.00 49.71 N ATOM 390 CA PRO A 25 6.790 8.531 9.732 1.00 50.02 C ATOM 391 C PRO A 25 6.776 7.234 8.934 1.00 50.51 C ATOM 392 O PRO A 25 7.762 6.879 8.288 1.00 49.49 O ATOM 393 CB PRO A 25 6.295 9.726 8.901 1.00 49.82 C ATOM 394 CG PRO A 25 7.540 10.331 8.312 1.00 49.82 C ATOM 395 CD PRO A 25 8.562 10.180 9.524 1.00 50.00 C ATOM 0 HA PRO A 25 6.147 8.340 10.591 1.00 50.02 H new ATOM 0 HB2 PRO A 25 5.604 9.406 8.121 1.00 49.82 H new ATOM 0 HB3 PRO A 25 5.762 10.446 9.523 1.00 49.82 H new ATOM 0 HG2 PRO A 25 7.875 9.798 7.422 1.00 49.82 H new ATOM 0 HG3 PRO A 25 7.395 11.372 8.024 1.00 49.82 H new ATOM 0 HD2 PRO A 25 9.597 10.157 9.184 1.00 50.00 H new ATOM 0 HD3 PRO A 25 8.478 11.003 10.234 1.00 50.00 H new ATOM 403 N PRO A 26 5.651 6.527 8.983 1.00 49.71 N ATOM 404 CA PRO A 26 5.511 5.261 8.274 1.00 50.02 C ATOM 405 C PRO A 26 5.343 5.484 6.776 1.00 50.51 C ATOM 406 O PRO A 26 5.182 6.617 6.322 1.00 49.49 O ATOM 407 CB PRO A 26 4.266 4.614 8.904 1.00 49.82 C ATOM 408 CG PRO A 26 3.420 5.768 9.365 1.00 49.82 C ATOM 409 CD PRO A 26 4.558 6.754 9.937 1.00 50.00 C ATOM 0 HA PRO A 26 6.392 4.626 8.367 1.00 50.02 H new ATOM 0 HB2 PRO A 26 3.732 3.998 8.180 1.00 49.82 H new ATOM 0 HB3 PRO A 26 4.537 3.965 9.737 1.00 49.82 H new ATOM 0 HG2 PRO A 26 2.853 6.218 8.550 1.00 49.82 H new ATOM 0 HG3 PRO A 26 2.701 5.476 10.131 1.00 49.82 H new ATOM 0 HD2 PRO A 26 4.232 7.794 9.947 1.00 50.00 H new ATOM 0 HD3 PRO A 26 4.845 6.500 10.957 1.00 50.00 H new ATOM 417 N PRO A 27 5.383 4.398 6.013 1.00 49.71 N ATOM 418 CA PRO A 27 5.160 4.464 4.574 1.00 50.02 C ATOM 419 C PRO A 27 3.873 5.211 4.249 1.00 50.51 C ATOM 420 O PRO A 27 2.877 5.093 4.964 1.00 49.49 O ATOM 421 CB PRO A 27 5.101 2.991 4.134 1.00 49.82 C ATOM 422 CG PRO A 27 5.916 2.248 5.157 1.00 49.82 C ATOM 423 CD PRO A 27 5.383 3.016 6.511 1.00 50.00 C ATOM 0 HA PRO A 27 5.943 5.013 4.051 1.00 50.02 H new ATOM 0 HB2 PRO A 27 4.074 2.628 4.108 1.00 49.82 H new ATOM 0 HB3 PRO A 27 5.511 2.861 3.132 1.00 49.82 H new ATOM 0 HG2 PRO A 27 5.705 1.179 5.168 1.00 49.82 H new ATOM 0 HG3 PRO A 27 6.989 2.360 5.003 1.00 49.82 H new ATOM 0 HD2 PRO A 27 4.393 2.681 6.822 1.00 50.00 H new ATOM 0 HD3 PRO A 27 6.049 2.876 7.363 1.00 50.00 H new ATOM 431 N SER A 28 3.898 5.982 3.167 1.00 49.53 N ATOM 432 CA SER A 28 2.814 6.906 2.858 1.00 50.07 C ATOM 433 C SER A 28 1.593 6.163 2.328 1.00 50.51 C ATOM 434 O SER A 28 1.717 5.101 1.718 1.00 49.49 O ATOM 435 CB SER A 28 3.279 7.941 1.853 1.00 50.05 C ATOM 436 OG SER A 28 4.284 8.766 2.374 1.00 49.34 O ATOM 0 H SER A 28 4.659 5.985 2.488 1.00 49.53 H new ATOM 0 HA SER A 28 2.526 7.412 3.780 1.00 50.07 H new ATOM 0 HB2 SER A 28 3.650 7.438 0.960 1.00 50.05 H new ATOM 0 HB3 SER A 28 2.431 8.553 1.545 1.00 50.05 H new ATOM 0 HG SER A 28 4.557 9.418 1.695 1.00 49.34 H new ATOM 442 N GLN A 29 0.415 6.729 2.565 1.00 49.53 N ATOM 443 CA GLN A 29 -0.831 6.126 2.105 1.00 50.07 C ATOM 444 C GLN A 29 -1.200 6.619 0.712 1.00 50.51 C ATOM 445 O GLN A 29 -0.723 7.662 0.265 1.00 49.49 O ATOM 446 CB GLN A 29 -1.969 6.435 3.081 1.00 49.82 C ATOM 447 CG GLN A 29 -1.742 5.909 4.489 1.00 49.82 C ATOM 448 CD GLN A 29 -2.865 6.286 5.436 1.00 50.55 C ATOM 449 OE1 GLN A 29 -3.812 6.980 5.054 1.00 49.45 O ATOM 450 NE2 GLN A 29 -2.765 5.835 6.681 1.00 49.38 N ATOM 0 H GLN A 29 0.296 7.605 3.073 1.00 49.53 H new ATOM 0 HA GLN A 29 -0.680 5.047 2.061 1.00 50.07 H new ATOM 0 HB2 GLN A 29 -2.110 7.515 3.127 1.00 49.82 H new ATOM 0 HB3 GLN A 29 -2.893 6.009 2.691 1.00 49.82 H new ATOM 0 HG2 GLN A 29 -1.646 4.824 4.457 1.00 49.82 H new ATOM 0 HG3 GLN A 29 -0.800 6.301 4.873 1.00 49.82 H new ATOM 0 HE21 GLN A 29 -1.965 5.264 6.954 1.00 49.38 H new ATOM 0 HE22 GLN A 29 -3.488 6.059 7.364 1.00 49.38 H new ATOM 459 N GLY A 30 -2.054 5.863 0.030 1.00 49.53 N ATOM 460 CA GLY A 30 -2.458 6.201 -1.331 1.00 49.98 C ATOM 461 C GLY A 30 -3.759 6.992 -1.338 1.00 50.51 C ATOM 462 O GLY A 30 -4.084 7.681 -0.371 1.00 49.49 O ATOM 0 H GLY A 30 -2.480 5.012 0.397 1.00 49.53 H new ATOM 0 HA2 GLY A 30 -1.672 6.783 -1.812 1.00 49.98 H new ATOM 0 HA3 GLY A 30 -2.581 5.288 -1.914 1.00 49.98 H new ATOM 466 N LYS A 31 -4.502 6.889 -2.435 1.00 49.53 N ATOM 467 CA LYS A 31 -5.767 7.602 -2.574 1.00 50.07 C ATOM 468 C LYS A 31 -6.868 6.931 -1.764 1.00 50.51 C ATOM 469 O LYS A 31 -7.879 7.554 -1.438 1.00 49.49 O ATOM 470 CB LYS A 31 -6.174 7.689 -4.045 1.00 49.82 C ATOM 471 CG LYS A 31 -5.272 8.572 -4.897 1.00 49.82 C ATOM 472 CD LYS A 31 -5.736 8.605 -6.345 1.00 49.82 C ATOM 473 CE LYS A 31 -4.850 9.508 -7.191 1.00 50.21 C ATOM 474 NZ LYS A 31 -5.296 9.554 -8.610 1.00 49.70 N1+ ATOM 0 H LYS A 31 -4.250 6.318 -3.242 1.00 49.53 H new ATOM 0 HA LYS A 31 -5.626 8.611 -2.187 1.00 50.07 H new ATOM 0 HB2 LYS A 31 -6.182 6.684 -4.467 1.00 49.82 H new ATOM 0 HB3 LYS A 31 -7.194 8.068 -4.105 1.00 49.82 H new ATOM 0 HG2 LYS A 31 -5.264 9.584 -4.493 1.00 49.82 H new ATOM 0 HG3 LYS A 31 -4.248 8.202 -4.850 1.00 49.82 H new ATOM 0 HD2 LYS A 31 -5.726 7.595 -6.755 1.00 49.82 H new ATOM 0 HD3 LYS A 31 -6.766 8.957 -6.391 1.00 49.82 H new ATOM 0 HE2 LYS A 31 -4.857 10.516 -6.776 1.00 50.21 H new ATOM 0 HE3 LYS A 31 -3.821 9.152 -7.146 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 -4.666 10.180 -9.152 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 -5.265 8.597 -9.015 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 -6.269 9.918 -8.656 1.00 49.70 H new ATOM 488 N GLY A 32 -6.668 5.657 -1.443 1.00 49.53 N ATOM 489 CA GLY A 32 -7.631 4.908 -0.645 1.00 49.98 C ATOM 490 C GLY A 32 -7.484 5.226 0.837 1.00 50.51 C ATOM 491 O GLY A 32 -6.652 6.046 1.227 1.00 49.49 O ATOM 0 H GLY A 32 -5.847 5.121 -1.724 1.00 49.53 H new ATOM 0 HA2 GLY A 32 -8.643 5.147 -0.972 1.00 49.98 H new ATOM 0 HA3 GLY A 32 -7.488 3.840 -0.806 1.00 49.98 H new ATOM 495 N ARG A 33 -8.297 4.574 1.661 1.00 49.53 N ATOM 496 CA ARG A 33 -8.276 4.804 3.101 1.00 50.07 C ATOM 497 C ARG A 33 -7.167 4.004 3.770 1.00 50.51 C ATOM 498 O ARG A 33 -6.766 2.948 3.278 1.00 49.49 O ATOM 499 CB ARG A 33 -9.627 4.531 3.746 1.00 49.82 C ATOM 500 CG ARG A 33 -10.735 5.491 3.340 1.00 49.82 C ATOM 501 CD ARG A 33 -12.030 5.257 4.029 1.00 50.20 C ATOM 502 NE ARG A 33 -13.087 6.183 3.656 1.00 49.30 N ATOM 503 CZ ARG A 33 -14.336 6.162 4.160 1.00 50.64 C ATOM 504 NH1 ARG A 33 -14.701 5.243 5.027 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 -15.193 7.077 3.742 1.00 49.20 N ATOM 0 H ARG A 33 -8.980 3.881 1.356 1.00 49.53 H new ATOM 0 HA ARG A 33 -8.063 5.862 3.253 1.00 50.07 H new ATOM 0 HB2 ARG A 33 -9.935 3.516 3.495 1.00 49.82 H new ATOM 0 HB3 ARG A 33 -9.511 4.570 4.829 1.00 49.82 H new ATOM 0 HG2 ARG A 33 -10.408 6.511 3.543 1.00 49.82 H new ATOM 0 HG3 ARG A 33 -10.890 5.414 2.264 1.00 49.82 H new ATOM 0 HD2 ARG A 33 -12.362 4.241 3.816 1.00 50.20 H new ATOM 0 HD3 ARG A 33 -11.871 5.321 5.105 1.00 50.20 H new ATOM 0 HE ARG A 33 -12.867 6.899 2.964 1.00 49.30 H new ATOM 0 HH11 ARG A 33 -14.034 4.532 5.327 1.00 49.20 H new ATOM 0 HH12 ARG A 33 -15.651 5.241 5.399 1.00 49.20 H new ATOM 0 HH21 ARG A 33 -14.901 7.773 3.056 1.00 49.20 H new ATOM 0 HH22 ARG A 33 -16.146 7.087 4.105 1.00 49.20 H new ATOM 519 N GLY A 34 -6.674 4.510 4.895 1.00 49.53 N ATOM 520 CA GLY A 34 -5.662 3.807 5.673 1.00 49.98 C ATOM 521 C GLY A 34 -6.266 2.623 6.420 1.00 50.51 C ATOM 522 O GLY A 34 -5.548 1.731 6.872 1.00 49.49 O ATOM 0 H GLY A 34 -6.960 5.406 5.289 1.00 49.53 H new ATOM 0 HA2 GLY A 34 -4.869 3.457 5.012 1.00 49.98 H new ATOM 0 HA3 GLY A 34 -5.204 4.494 6.384 1.00 49.98 H new ATOM 526 N LEU A 35 -7.588 2.621 6.544 1.00 49.53 N ATOM 527 CA LEU A 35 -8.293 1.532 7.211 1.00 50.07 C ATOM 528 C LEU A 35 -8.824 0.521 6.203 1.00 50.51 C ATOM 529 O LEU A 35 -9.406 -0.497 6.578 1.00 49.49 O ATOM 530 CB LEU A 35 -9.440 2.088 8.064 1.00 49.82 C ATOM 531 CG LEU A 35 -9.016 3.055 9.177 1.00 49.91 C ATOM 532 CD1 LEU A 35 -10.246 3.604 9.888 1.00 49.73 C ATOM 533 CD2 LEU A 35 -8.105 2.332 10.158 1.00 49.73 C ATOM 0 H LEU A 35 -8.194 3.362 6.191 1.00 49.53 H new ATOM 0 HA LEU A 35 -7.585 1.018 7.861 1.00 50.07 H new ATOM 0 HB2 LEU A 35 -10.144 2.600 7.408 1.00 49.82 H new ATOM 0 HB3 LEU A 35 -9.975 1.252 8.515 1.00 49.82 H new ATOM 0 HG LEU A 35 -8.470 3.893 8.743 1.00 49.91 H new ATOM 0 HD11 LEU A 35 -9.935 4.289 10.676 1.00 49.73 H new ATOM 0 HD12 LEU A 35 -10.873 4.135 9.172 1.00 49.73 H new ATOM 0 HD13 LEU A 35 -10.811 2.781 10.325 1.00 49.73 H new ATOM 0 HD21 LEU A 35 -7.804 3.019 10.949 1.00 49.73 H new ATOM 0 HD22 LEU A 35 -8.638 1.487 10.595 1.00 49.73 H new ATOM 0 HD23 LEU A 35 -7.220 1.971 9.634 1.00 49.73 H new ATOM 545 N SER A 36 -8.621 0.807 4.922 1.00 49.53 N ATOM 546 CA SER A 36 -9.112 -0.058 3.856 1.00 50.07 C ATOM 547 C SER A 36 -8.518 -1.456 3.963 1.00 50.51 C ATOM 548 O SER A 36 -8.814 -2.331 3.151 1.00 49.49 O ATOM 549 CB SER A 36 -8.795 0.548 2.503 1.00 50.05 C ATOM 550 OG SER A 36 -9.216 -0.271 1.447 1.00 49.34 O ATOM 0 H SER A 36 -8.119 1.633 4.596 1.00 49.53 H new ATOM 0 HA SER A 36 -10.193 -0.145 3.961 1.00 50.07 H new ATOM 0 HB2 SER A 36 -9.278 1.522 2.420 1.00 50.05 H new ATOM 0 HB3 SER A 36 -7.721 0.717 2.424 1.00 50.05 H new ATOM 0 HG SER A 36 -9.349 -1.185 1.775 1.00 49.34 H new TER 556 SER A 36