USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 242 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 8 TYR OH : rot 107:sc= 0.42 USER MOD Set 1.2: A 12 GLN : amide:sc= -1.6! K(o=-1.2!,f=0.65) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= -0.349 USER MOD Set 2.2: A 5 GLN : amide:sc= -1.88 K(o=-2.2,f=0.16) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.051) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0399 (180deg=-0.331) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.779 K(o=-0.78,f=-0.0014) USER MOD Single : A 16 ASN : amide:sc= -0.8 K(o=-0.8,f=-0.014) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc=-0.00394 (180deg=-0.0835) USER MOD Single : A 22 GLN : amide:sc= -0.014 X(o=-0.014,f=0.021) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.42 K(o=-0.42,f=-0.98) USER MOD Single : A 26 MET CE :methyl 140:sc= -0.456 (180deg=-3.26!) USER MOD Single : A 28 SER OG : rot -99:sc= -2.5! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.634 -0.522 2.978 1.00 0.00 N ATOM 2 CA ALA A 1 -15.871 0.520 1.955 1.00 0.00 C ATOM 3 C ALA A 1 -14.912 1.691 2.138 1.00 0.00 C ATOM 4 O ALA A 1 -15.170 2.594 2.937 1.00 0.00 O ATOM 5 CB ALA A 1 -17.311 1.007 2.024 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.299 -1.309 2.833 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.659 -0.873 2.896 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.778 -0.118 3.925 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.691 0.081 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.473 1.774 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.987 0.171 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.507 1.426 3.011 1.00 0.00 H new ATOM 10 N SER A 2 -13.803 1.667 1.407 1.00 0.00 N ATOM 11 CA SER A 2 -12.838 2.765 1.443 1.00 0.00 C ATOM 12 C SER A 2 -11.894 2.709 0.227 1.00 0.00 C ATOM 13 O SER A 2 -10.673 2.725 0.387 1.00 0.00 O ATOM 14 CB SER A 2 -12.022 2.697 2.748 1.00 0.00 C ATOM 15 OG SER A 2 -11.502 3.968 3.100 1.00 0.00 O ATOM 0 H SER A 2 -13.548 0.902 0.783 1.00 0.00 H new ATOM 0 HA SER A 2 -13.385 3.707 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.653 2.324 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.203 1.987 2.630 1.00 0.00 H new ATOM 0 HG SER A 2 -10.990 3.893 3.932 1.00 0.00 H new ATOM 21 N PRO A 3 -12.442 2.656 -1.011 1.00 0.00 N ATOM 22 CA PRO A 3 -11.631 2.522 -2.235 1.00 0.00 C ATOM 23 C PRO A 3 -10.582 3.624 -2.403 1.00 0.00 C ATOM 24 O PRO A 3 -9.398 3.342 -2.592 1.00 0.00 O ATOM 25 CB PRO A 3 -12.656 2.598 -3.373 1.00 0.00 C ATOM 26 CG PRO A 3 -13.959 2.233 -2.752 1.00 0.00 C ATOM 27 CD PRO A 3 -13.887 2.704 -1.314 1.00 0.00 C ATOM 0 HA PRO A 3 -11.057 1.596 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.692 3.599 -3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.399 1.912 -4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.787 2.709 -3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.126 1.157 -2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.288 3.711 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.459 2.056 -0.650 1.00 0.00 H new ATOM 35 N GLN A 4 -11.016 4.877 -2.322 1.00 0.00 N ATOM 36 CA GLN A 4 -10.127 6.012 -2.565 1.00 0.00 C ATOM 37 C GLN A 4 -9.032 6.101 -1.512 1.00 0.00 C ATOM 38 O GLN A 4 -7.869 6.327 -1.835 1.00 0.00 O ATOM 39 CB GLN A 4 -10.914 7.324 -2.607 1.00 0.00 C ATOM 40 CG GLN A 4 -11.796 7.488 -3.849 1.00 0.00 C ATOM 41 CD GLN A 4 -11.047 8.028 -5.058 1.00 0.00 C ATOM 42 OE1 GLN A 4 -11.634 8.696 -5.910 1.00 0.00 O ATOM 43 NE2 GLN A 4 -9.752 7.764 -5.143 1.00 0.00 N ATOM 0 H GLN A 4 -11.976 5.134 -2.091 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.657 5.849 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.542 7.386 -1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.213 8.157 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.234 6.523 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.621 8.160 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.296 7.207 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.210 8.117 -5.932 1.00 0.00 H new ATOM 52 N GLN A 5 -9.406 5.921 -0.255 1.00 0.00 N ATOM 53 CA GLN A 5 -8.442 5.963 0.841 1.00 0.00 C ATOM 54 C GLN A 5 -7.468 4.793 0.756 1.00 0.00 C ATOM 55 O GLN A 5 -6.320 4.896 1.188 1.00 0.00 O ATOM 56 CB GLN A 5 -9.144 5.967 2.204 1.00 0.00 C ATOM 57 CG GLN A 5 -9.952 7.235 2.490 1.00 0.00 C ATOM 58 CD GLN A 5 -11.253 7.323 1.706 1.00 0.00 C ATOM 59 OE1 GLN A 5 -11.690 8.412 1.334 1.00 0.00 O ATOM 60 NE2 GLN A 5 -11.900 6.189 1.479 1.00 0.00 N ATOM 0 H GLN A 5 -10.368 5.744 0.035 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.881 6.892 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.809 5.105 2.260 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.395 5.843 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.177 7.279 3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.339 8.106 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.508 5.305 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.790 6.201 0.981 1.00 0.00 H new ATOM 69 N ALA A 6 -7.926 3.683 0.194 1.00 0.00 N ATOM 70 CA ALA A 6 -7.063 2.528 -0.012 1.00 0.00 C ATOM 71 C ALA A 6 -5.958 2.853 -1.006 1.00 0.00 C ATOM 72 O ALA A 6 -4.840 2.350 -0.890 1.00 0.00 O ATOM 73 CB ALA A 6 -7.860 1.327 -0.491 1.00 0.00 C ATOM 0 H ALA A 6 -8.886 3.558 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.610 2.278 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.190 0.480 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.613 1.070 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.350 1.568 -1.435 1.00 0.00 H new ATOM 79 N LYS A 7 -6.271 3.710 -1.971 1.00 0.00 N ATOM 80 CA LYS A 7 -5.286 4.146 -2.952 1.00 0.00 C ATOM 81 C LYS A 7 -4.131 4.862 -2.253 1.00 0.00 C ATOM 82 O LYS A 7 -2.981 4.781 -2.683 1.00 0.00 O ATOM 83 CB LYS A 7 -5.935 5.067 -3.994 1.00 0.00 C ATOM 84 CG LYS A 7 -4.973 5.551 -5.067 1.00 0.00 C ATOM 85 CD LYS A 7 -4.426 4.388 -5.896 1.00 0.00 C ATOM 86 CE LYS A 7 -3.417 4.867 -6.935 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.254 5.539 -6.302 1.00 0.00 N ATOM 0 H LYS A 7 -7.198 4.116 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.895 3.269 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.760 4.537 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.363 5.931 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.483 6.258 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.146 6.087 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.953 3.661 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.249 3.877 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.070 4.018 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.904 5.556 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.476 5.608 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.530 6.493 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.940 4.987 -5.478 1.00 0.00 H new ATOM 101 N TYR A 8 -4.448 5.538 -1.153 1.00 0.00 N ATOM 102 CA TYR A 8 -3.445 6.236 -0.361 1.00 0.00 C ATOM 103 C TYR A 8 -2.502 5.236 0.307 1.00 0.00 C ATOM 104 O TYR A 8 -1.305 5.489 0.449 1.00 0.00 O ATOM 105 CB TYR A 8 -4.119 7.123 0.691 1.00 0.00 C ATOM 106 CG TYR A 8 -3.146 7.929 1.518 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.734 7.485 2.767 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.638 9.132 1.048 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.844 8.216 3.526 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.746 9.870 1.801 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.353 9.407 3.039 1.00 0.00 C ATOM 112 OH TYR A 8 -0.464 10.140 3.795 1.00 0.00 O ATOM 0 H TYR A 8 -5.398 5.616 -0.790 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.859 6.871 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.809 7.804 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.714 6.496 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.117 6.551 3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.945 9.497 0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.534 7.857 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.359 10.804 1.422 1.00 0.00 H new ATOM 0 HH TYR A 8 0.431 10.075 3.402 1.00 0.00 H new ATOM 122 N CYS A 9 -3.044 4.101 0.724 1.00 0.00 N ATOM 123 CA CYS A 9 -2.216 3.025 1.257 1.00 0.00 C ATOM 124 C CYS A 9 -1.268 2.514 0.181 1.00 0.00 C ATOM 125 O CYS A 9 -0.057 2.439 0.388 1.00 0.00 O ATOM 126 CB CYS A 9 -3.063 1.859 1.785 1.00 0.00 C ATOM 127 SG CYS A 9 -2.070 0.390 2.210 1.00 0.00 S ATOM 0 H CYS A 9 -4.044 3.901 0.705 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.647 3.435 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.612 2.187 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.803 1.585 1.033 1.00 0.00 H new ATOM 132 N TYR A 10 -1.831 2.204 -0.979 1.00 0.00 N ATOM 133 CA TYR A 10 -1.069 1.636 -2.084 1.00 0.00 C ATOM 134 C TYR A 10 -0.030 2.614 -2.625 1.00 0.00 C ATOM 135 O TYR A 10 0.981 2.200 -3.188 1.00 0.00 O ATOM 136 CB TYR A 10 -2.006 1.191 -3.212 1.00 0.00 C ATOM 137 CG TYR A 10 -2.675 -0.141 -2.963 1.00 0.00 C ATOM 138 CD1 TYR A 10 -2.052 -1.318 -3.347 1.00 0.00 C ATOM 139 CD2 TYR A 10 -3.929 -0.228 -2.364 1.00 0.00 C ATOM 140 CE1 TYR A 10 -2.652 -2.541 -3.148 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.533 -1.450 -2.157 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.892 -2.604 -2.551 1.00 0.00 C ATOM 143 OH TYR A 10 -4.500 -3.824 -2.359 1.00 0.00 O ATOM 0 H TYR A 10 -2.822 2.338 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.537 0.768 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.774 1.951 -3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.439 1.133 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.078 -1.275 -3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.436 0.675 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.153 -3.447 -3.459 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.504 -1.502 -1.688 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.369 -3.692 -1.925 1.00 0.00 H new ATOM 153 N GLU A 11 -0.272 3.906 -2.471 1.00 0.00 N ATOM 154 CA GLU A 11 0.697 4.891 -2.911 1.00 0.00 C ATOM 155 C GLU A 11 1.836 5.017 -1.893 1.00 0.00 C ATOM 156 O GLU A 11 3.005 4.901 -2.250 1.00 0.00 O ATOM 157 CB GLU A 11 0.021 6.249 -3.183 1.00 0.00 C ATOM 158 CG GLU A 11 -0.376 7.021 -1.943 1.00 0.00 C ATOM 159 CD GLU A 11 -0.991 8.367 -2.266 1.00 0.00 C ATOM 160 OE1 GLU A 11 -2.174 8.408 -2.663 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.295 9.390 -2.121 1.00 0.00 O ATOM 0 H GLU A 11 -1.118 4.291 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 11 1.130 4.553 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.699 6.864 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.869 6.081 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.086 6.431 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.502 7.169 -1.315 1.00 0.00 H new ATOM 168 N GLN A 12 1.493 5.195 -0.617 1.00 0.00 N ATOM 169 CA GLN A 12 2.491 5.442 0.415 1.00 0.00 C ATOM 170 C GLN A 12 3.292 4.193 0.757 1.00 0.00 C ATOM 171 O GLN A 12 4.429 4.300 1.206 1.00 0.00 O ATOM 172 CB GLN A 12 1.826 6.002 1.673 1.00 0.00 C ATOM 173 CG GLN A 12 1.273 7.400 1.483 1.00 0.00 C ATOM 174 CD GLN A 12 2.298 8.490 1.733 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.947 9.604 2.118 1.00 0.00 O ATOM 176 NE2 GLN A 12 3.571 8.181 1.537 1.00 0.00 N ATOM 0 H GLN A 12 0.532 5.172 -0.277 1.00 0.00 H new ATOM 0 HA GLN A 12 3.191 6.176 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.018 5.336 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.552 6.013 2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.890 7.497 0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.428 7.544 2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.826 7.247 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.297 8.878 1.706 1.00 0.00 H new ATOM 185 N CYS A 13 2.713 3.019 0.540 1.00 0.00 N ATOM 186 CA CYS A 13 3.393 1.771 0.876 1.00 0.00 C ATOM 187 C CYS A 13 4.709 1.659 0.106 1.00 0.00 C ATOM 188 O CYS A 13 5.758 1.367 0.684 1.00 0.00 O ATOM 189 CB CYS A 13 2.485 0.564 0.574 1.00 0.00 C ATOM 190 SG CYS A 13 2.132 0.310 -1.196 1.00 0.00 S ATOM 0 H CYS A 13 1.783 2.903 0.137 1.00 0.00 H new ATOM 0 HA CYS A 13 3.616 1.774 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.954 -0.336 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.542 0.693 1.105 1.00 0.00 H new ATOM 195 N ASN A 14 4.652 1.920 -1.193 1.00 0.00 N ATOM 196 CA ASN A 14 5.851 1.885 -2.034 1.00 0.00 C ATOM 197 C ASN A 14 6.725 3.114 -1.783 1.00 0.00 C ATOM 198 O ASN A 14 7.946 3.051 -1.923 1.00 0.00 O ATOM 199 CB ASN A 14 5.471 1.791 -3.523 1.00 0.00 C ATOM 200 CG ASN A 14 6.670 1.593 -4.442 1.00 0.00 C ATOM 201 OD1 ASN A 14 6.676 2.077 -5.574 1.00 0.00 O ATOM 202 ND2 ASN A 14 7.683 0.869 -3.984 1.00 0.00 N ATOM 0 H ASN A 14 3.794 2.158 -1.690 1.00 0.00 H new ATOM 0 HA ASN A 14 6.423 0.996 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.776 0.963 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.945 2.700 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.497 0.700 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.648 0.482 -3.041 1.00 0.00 H new ATOM 209 N VAL A 15 6.101 4.223 -1.395 1.00 0.00 N ATOM 210 CA VAL A 15 6.834 5.454 -1.123 1.00 0.00 C ATOM 211 C VAL A 15 7.700 5.301 0.122 1.00 0.00 C ATOM 212 O VAL A 15 8.840 5.767 0.151 1.00 0.00 O ATOM 213 CB VAL A 15 5.889 6.670 -0.949 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.658 7.900 -0.478 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.166 6.983 -2.253 1.00 0.00 C ATOM 0 H VAL A 15 5.092 4.294 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 15 7.469 5.641 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 15 5.152 6.408 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.970 8.738 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.132 7.688 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.422 8.155 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.508 7.840 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.897 7.214 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.575 6.119 -2.558 1.00 0.00 H new ATOM 225 N ASN A 16 7.167 4.645 1.150 1.00 0.00 N ATOM 226 CA ASN A 16 7.933 4.445 2.372 1.00 0.00 C ATOM 227 C ASN A 16 9.052 3.446 2.111 1.00 0.00 C ATOM 228 O ASN A 16 10.205 3.842 1.955 1.00 0.00 O ATOM 229 CB ASN A 16 7.041 3.932 3.514 1.00 0.00 C ATOM 230 CG ASN A 16 5.882 4.854 3.847 1.00 0.00 C ATOM 231 OD1 ASN A 16 4.828 4.399 4.290 1.00 0.00 O ATOM 232 ND2 ASN A 16 6.060 6.148 3.648 1.00 0.00 N ATOM 0 H ASN A 16 6.226 4.251 1.161 1.00 0.00 H new ATOM 0 HA ASN A 16 8.351 5.405 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.648 2.952 3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.652 3.795 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.310 6.805 3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.947 6.490 3.279 1.00 0.00 H new ATOM 239 N LYS A 17 8.688 2.160 2.044 1.00 0.00 N ATOM 240 CA LYS A 17 9.565 1.088 1.567 1.00 0.00 C ATOM 241 C LYS A 17 8.903 -0.272 1.775 1.00 0.00 C ATOM 242 O LYS A 17 9.143 -0.916 2.798 1.00 0.00 O ATOM 243 CB LYS A 17 10.926 1.080 2.275 1.00 0.00 C ATOM 244 CG LYS A 17 12.059 1.654 1.432 1.00 0.00 C ATOM 245 CD LYS A 17 13.398 1.550 2.152 1.00 0.00 C ATOM 246 CE LYS A 17 14.482 2.329 1.418 1.00 0.00 C ATOM 247 NZ LYS A 17 14.650 1.870 0.013 1.00 0.00 N ATOM 0 H LYS A 17 7.764 1.832 2.324 1.00 0.00 H new ATOM 0 HA LYS A 17 9.732 1.277 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.848 1.651 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.175 0.056 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.113 1.122 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.849 2.698 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.298 1.931 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.690 0.503 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.232 3.390 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.428 2.221 1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.493 2.317 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.763 0.836 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.811 2.135 -0.542 1.00 0.00 H new ATOM 261 N VAL A 18 8.077 -0.725 0.838 1.00 0.00 N ATOM 262 CA VAL A 18 7.543 -2.081 0.917 1.00 0.00 C ATOM 263 C VAL A 18 7.450 -2.669 -0.490 1.00 0.00 C ATOM 264 O VAL A 18 7.191 -1.940 -1.454 1.00 0.00 O ATOM 265 CB VAL A 18 6.136 -2.163 1.601 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.997 -1.170 2.752 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.019 -1.989 0.585 1.00 0.00 C ATOM 0 H VAL A 18 7.767 -0.186 0.030 1.00 0.00 H new ATOM 0 HA VAL A 18 8.231 -2.651 1.541 1.00 0.00 H new ATOM 0 HB VAL A 18 6.048 -3.161 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.006 -1.263 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.754 -1.381 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.132 -0.156 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.055 -2.051 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.114 -1.016 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.086 -2.775 -0.167 1.00 0.00 H new ATOM 277 N PRO A 19 7.715 -3.972 -0.638 1.00 0.00 N ATOM 278 CA PRO A 19 7.479 -4.688 -1.893 1.00 0.00 C ATOM 279 C PRO A 19 5.993 -4.690 -2.257 1.00 0.00 C ATOM 280 O PRO A 19 5.143 -4.591 -1.369 1.00 0.00 O ATOM 281 CB PRO A 19 7.955 -6.119 -1.602 1.00 0.00 C ATOM 282 CG PRO A 19 8.823 -6.008 -0.396 1.00 0.00 C ATOM 283 CD PRO A 19 8.295 -4.840 0.393 1.00 0.00 C ATOM 0 HA PRO A 19 7.998 -4.227 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.111 -6.784 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.507 -6.529 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.789 -6.924 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.864 -5.849 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.548 -5.152 1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.088 -4.335 0.944 1.00 0.00 H new ATOM 291 N PHE A 20 5.671 -4.798 -3.541 1.00 0.00 N ATOM 292 CA PHE A 20 4.277 -4.756 -3.977 1.00 0.00 C ATOM 293 C PHE A 20 3.455 -5.843 -3.285 1.00 0.00 C ATOM 294 O PHE A 20 2.340 -5.584 -2.827 1.00 0.00 O ATOM 295 CB PHE A 20 4.162 -4.897 -5.499 1.00 0.00 C ATOM 296 CG PHE A 20 2.781 -4.598 -6.009 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.428 -3.305 -6.357 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.836 -5.604 -6.129 1.00 0.00 C ATOM 299 CE1 PHE A 20 1.158 -3.021 -6.817 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.565 -5.326 -6.589 1.00 0.00 C ATOM 301 CZ PHE A 20 0.225 -4.033 -6.933 1.00 0.00 C ATOM 0 H PHE A 20 6.349 -4.914 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 20 3.878 -3.782 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.874 -4.224 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.439 -5.911 -5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.154 -2.510 -6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.097 -6.617 -5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.894 -2.009 -7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.163 -6.119 -6.680 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.769 -3.813 -7.292 1.00 0.00 H new ATOM 311 N ASP A 21 4.016 -7.048 -3.192 1.00 0.00 N ATOM 312 CA ASP A 21 3.338 -8.162 -2.529 1.00 0.00 C ATOM 313 C ASP A 21 2.993 -7.808 -1.084 1.00 0.00 C ATOM 314 O ASP A 21 1.904 -8.122 -0.604 1.00 0.00 O ATOM 315 CB ASP A 21 4.190 -9.439 -2.576 1.00 0.00 C ATOM 316 CG ASP A 21 5.594 -9.253 -2.032 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.770 -9.280 -0.797 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.531 -9.088 -2.845 1.00 0.00 O ATOM 0 H ASP A 21 4.936 -7.278 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 21 2.411 -8.351 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.689 -10.221 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.252 -9.787 -3.607 1.00 0.00 H new ATOM 323 N GLN A 22 3.916 -7.136 -0.405 1.00 0.00 N ATOM 324 CA GLN A 22 3.688 -6.683 0.957 1.00 0.00 C ATOM 325 C GLN A 22 2.583 -5.631 0.993 1.00 0.00 C ATOM 326 O GLN A 22 1.719 -5.652 1.872 1.00 0.00 O ATOM 327 CB GLN A 22 4.971 -6.108 1.552 1.00 0.00 C ATOM 328 CG GLN A 22 4.788 -5.601 2.969 1.00 0.00 C ATOM 329 CD GLN A 22 4.514 -6.715 3.956 1.00 0.00 C ATOM 330 OE1 GLN A 22 3.367 -7.097 4.182 1.00 0.00 O ATOM 331 NE2 GLN A 22 5.566 -7.244 4.552 1.00 0.00 N ATOM 0 H GLN A 22 4.833 -6.893 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 22 3.377 -7.541 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.745 -6.875 1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.324 -5.291 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.684 -5.061 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.963 -4.889 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.501 -6.899 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.444 -7.998 5.228 1.00 0.00 H new ATOM 340 N CYS A 23 2.608 -4.721 0.025 1.00 0.00 N ATOM 341 CA CYS A 23 1.588 -3.677 -0.062 1.00 0.00 C ATOM 342 C CYS A 23 0.217 -4.313 -0.234 1.00 0.00 C ATOM 343 O CYS A 23 -0.755 -3.921 0.421 1.00 0.00 O ATOM 344 CB CYS A 23 1.866 -2.706 -1.223 1.00 0.00 C ATOM 345 SG CYS A 23 0.808 -1.225 -1.216 1.00 0.00 S ATOM 0 H CYS A 23 3.318 -4.683 -0.707 1.00 0.00 H new ATOM 0 HA CYS A 23 1.614 -3.103 0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.910 -2.395 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.728 -3.234 -2.166 1.00 0.00 H new ATOM 350 N TYR A 24 0.156 -5.318 -1.098 1.00 0.00 N ATOM 351 CA TYR A 24 -1.067 -6.066 -1.320 1.00 0.00 C ATOM 352 C TYR A 24 -1.505 -6.757 -0.037 1.00 0.00 C ATOM 353 O TYR A 24 -2.659 -6.667 0.350 1.00 0.00 O ATOM 354 CB TYR A 24 -0.864 -7.097 -2.442 1.00 0.00 C ATOM 355 CG TYR A 24 -2.096 -7.906 -2.766 1.00 0.00 C ATOM 356 CD1 TYR A 24 -3.083 -7.396 -3.594 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.260 -9.186 -2.256 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.201 -8.139 -3.906 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.376 -9.934 -2.561 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.344 -9.409 -3.387 1.00 0.00 C ATOM 361 OH TYR A 24 -5.455 -10.156 -3.697 1.00 0.00 O ATOM 0 H TYR A 24 0.948 -5.633 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.850 -5.372 -1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.536 -6.578 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.061 -7.776 -2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.975 -6.401 -4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.501 -9.602 -1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.962 -7.729 -4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.491 -10.928 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.399 -11.027 -3.250 1.00 0.00 H new ATOM 371 N GLN A 25 -0.572 -7.397 0.652 1.00 0.00 N ATOM 372 CA GLN A 25 -0.917 -8.207 1.820 1.00 0.00 C ATOM 373 C GLN A 25 -1.482 -7.349 2.942 1.00 0.00 C ATOM 374 O GLN A 25 -2.332 -7.801 3.708 1.00 0.00 O ATOM 375 CB GLN A 25 0.292 -8.998 2.333 1.00 0.00 C ATOM 376 CG GLN A 25 0.580 -10.268 1.532 1.00 0.00 C ATOM 377 CD GLN A 25 -0.577 -11.245 1.581 1.00 0.00 C ATOM 378 OE1 GLN A 25 -1.485 -11.199 0.749 1.00 0.00 O ATOM 379 NE2 GLN A 25 -0.559 -12.133 2.561 1.00 0.00 N ATOM 0 H GLN A 25 0.423 -7.375 0.428 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.683 -8.913 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.172 -8.356 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.123 -9.267 3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.787 -10.003 0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.477 -10.748 1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.211 -12.139 3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.315 -12.812 2.648 1.00 0.00 H new ATOM 388 N MET A 26 -1.026 -6.112 3.026 1.00 0.00 N ATOM 389 CA MET A 26 -1.457 -5.226 4.090 1.00 0.00 C ATOM 390 C MET A 26 -2.845 -4.648 3.813 1.00 0.00 C ATOM 391 O MET A 26 -3.730 -4.725 4.666 1.00 0.00 O ATOM 392 CB MET A 26 -0.431 -4.101 4.283 1.00 0.00 C ATOM 393 CG MET A 26 -0.890 -2.981 5.214 1.00 0.00 C ATOM 394 SD MET A 26 0.356 -1.685 5.418 1.00 0.00 S ATOM 395 CE MET A 26 0.702 -1.239 3.716 1.00 0.00 C ATOM 0 H MET A 26 -0.360 -5.700 2.372 1.00 0.00 H new ATOM 0 HA MET A 26 -1.524 -5.808 5.009 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.490 -4.530 4.677 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.192 -3.673 3.310 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.806 -2.540 4.820 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.133 -3.402 6.190 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.817 -0.158 3.639 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.622 -1.725 3.392 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.122 -1.562 3.080 1.00 0.00 H new ATOM 405 N CYS A 27 -3.053 -4.097 2.625 1.00 0.00 N ATOM 406 CA CYS A 27 -4.289 -3.362 2.360 1.00 0.00 C ATOM 407 C CYS A 27 -5.272 -4.093 1.442 1.00 0.00 C ATOM 408 O CYS A 27 -6.298 -3.522 1.072 1.00 0.00 O ATOM 409 CB CYS A 27 -3.988 -1.953 1.836 1.00 0.00 C ATOM 410 SG CYS A 27 -3.374 -0.842 3.147 1.00 0.00 S ATOM 0 H CYS A 27 -2.400 -4.141 1.843 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.795 -3.285 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.247 -2.015 1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.892 -1.530 1.398 1.00 0.00 H new ATOM 415 N SER A 28 -4.989 -5.337 1.068 1.00 0.00 N ATOM 416 CA SER A 28 -5.996 -6.135 0.369 1.00 0.00 C ATOM 417 C SER A 28 -7.268 -6.305 1.226 1.00 0.00 C ATOM 418 O SER A 28 -8.367 -6.086 0.720 1.00 0.00 O ATOM 419 CB SER A 28 -5.439 -7.490 -0.112 1.00 0.00 C ATOM 420 OG SER A 28 -4.670 -8.137 0.889 1.00 0.00 O ATOM 0 H SER A 28 -4.098 -5.806 1.230 1.00 0.00 H new ATOM 0 HA SER A 28 -6.276 -5.583 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.265 -8.136 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.823 -7.334 -0.998 1.00 0.00 H new ATOM 0 HG SER A 28 -3.717 -7.979 0.723 1.00 0.00 H new ATOM 426 N PRO A 29 -7.163 -6.665 2.537 1.00 0.00 N ATOM 427 CA PRO A 29 -8.338 -6.728 3.426 1.00 0.00 C ATOM 428 C PRO A 29 -8.999 -5.364 3.634 1.00 0.00 C ATOM 429 O PRO A 29 -10.130 -5.279 4.106 1.00 0.00 O ATOM 430 CB PRO A 29 -7.771 -7.246 4.754 1.00 0.00 C ATOM 431 CG PRO A 29 -6.495 -7.918 4.380 1.00 0.00 C ATOM 432 CD PRO A 29 -5.942 -7.102 3.243 1.00 0.00 C ATOM 0 HA PRO A 29 -9.118 -7.361 3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.599 -6.431 5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.459 -7.941 5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.802 -7.944 5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.667 -8.951 4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.355 -6.256 3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.291 -7.693 2.599 1.00 0.00 H new ATOM 440 N LEU A 30 -8.287 -4.304 3.274 1.00 0.00 N ATOM 441 CA LEU A 30 -8.797 -2.944 3.415 1.00 0.00 C ATOM 442 C LEU A 30 -9.787 -2.665 2.293 1.00 0.00 C ATOM 443 O LEU A 30 -10.946 -2.323 2.535 1.00 0.00 O ATOM 444 CB LEU A 30 -7.629 -1.935 3.362 1.00 0.00 C ATOM 445 CG LEU A 30 -7.902 -0.511 3.892 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.638 0.332 3.787 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.036 0.173 3.137 1.00 0.00 C ATOM 0 H LEU A 30 -7.348 -4.360 2.879 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.301 -2.839 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.796 -2.352 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.301 -1.853 2.326 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.204 -0.603 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.838 1.336 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.845 -0.126 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.325 0.390 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.193 1.172 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.777 0.248 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.950 -0.411 3.246 1.00 0.00 H new ATOM 459 N GLU A 31 -9.319 -2.836 1.067 1.00 0.00 N ATOM 460 CA GLU A 31 -10.114 -2.504 -0.107 1.00 0.00 C ATOM 461 C GLU A 31 -11.136 -3.608 -0.363 1.00 0.00 C ATOM 462 O GLU A 31 -12.325 -3.437 -0.102 1.00 0.00 O ATOM 463 CB GLU A 31 -9.192 -2.307 -1.325 1.00 0.00 C ATOM 464 CG GLU A 31 -9.799 -1.497 -2.474 1.00 0.00 C ATOM 465 CD GLU A 31 -10.935 -2.205 -3.174 1.00 0.00 C ATOM 466 OE1 GLU A 31 -12.087 -1.738 -3.061 1.00 0.00 O ATOM 467 OE2 GLU A 31 -10.682 -3.226 -3.846 1.00 0.00 O ATOM 0 H GLU A 31 -8.391 -3.203 0.858 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.652 -1.572 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.279 -1.811 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.903 -3.287 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.159 -0.544 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.019 -1.271 -3.201 1.00 0.00 H new ATOM 474 N ARG A 32 -10.649 -4.752 -0.815 1.00 0.00 N ATOM 475 CA ARG A 32 -11.491 -5.911 -1.098 1.00 0.00 C ATOM 476 C ARG A 32 -10.633 -7.165 -1.099 1.00 0.00 C ATOM 477 O ARG A 32 -9.625 -7.229 -1.804 1.00 0.00 O ATOM 478 CB ARG A 32 -12.199 -5.777 -2.464 1.00 0.00 C ATOM 479 CG ARG A 32 -13.464 -4.895 -2.474 1.00 0.00 C ATOM 480 CD ARG A 32 -14.684 -5.612 -1.896 1.00 0.00 C ATOM 481 NE ARG A 32 -14.820 -6.963 -2.439 1.00 0.00 N ATOM 482 CZ ARG A 32 -15.434 -7.967 -1.815 1.00 0.00 C ATOM 483 NH1 ARG A 32 -16.025 -7.769 -0.642 1.00 0.00 N ATOM 484 NH2 ARG A 32 -15.464 -9.170 -2.377 1.00 0.00 N ATOM 0 H ARG A 32 -9.658 -4.907 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.256 -5.973 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.488 -5.370 -3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.470 -6.774 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.275 -3.988 -1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.679 -4.586 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.597 -5.662 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.583 -5.038 -2.118 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.418 -7.149 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.011 -6.844 -0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.493 -8.542 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.018 -9.321 -3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.933 -9.942 -1.904 1.00 0.00 H new ATOM 498 N SER A 33 -11.025 -8.151 -0.310 1.00 0.00 N ATOM 499 CA SER A 33 -10.260 -9.383 -0.197 1.00 0.00 C ATOM 500 C SER A 33 -11.209 -10.575 -0.211 1.00 0.00 C ATOM 501 CB SER A 33 -9.409 -9.375 1.084 1.00 0.00 C ATOM 502 OG SER A 33 -8.417 -10.388 1.054 1.00 0.00 O ATOM 0 H SER A 33 -11.869 -8.123 0.262 1.00 0.00 H new ATOM 0 HA SER A 33 -9.582 -9.463 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.933 -8.401 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.053 -9.520 1.951 1.00 0.00 H new ATOM 0 HG SER A 33 -7.892 -10.356 1.881 1.00 0.00 H new TER 508 SER A 33