USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 240 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 30 GLN :FLIP amide:sc= -0.0029 F(o=-1.4,f=-0.51) USER MOD Set 1.2: A 32 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1.3) USER MOD Set 2.1: A 26 ASN : amide:sc= 0.324 K(o=0.63,f=-0.098) USER MOD Set 2.2: A 28 SER OG : rot -139:sc= 0.31 USER MOD Set 3.1: A 23 ASN : amide:sc= 2.2 K(o=1.9,f=-7!) USER MOD Set 3.2: A 25 ASN : amide:sc= -0.329 K(o=1.9,f=1.1!) USER MOD Single : A 12 LYS NZ :NH3+ -127:sc= 1.09 (180deg=-1.19) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0.997 K(o=1,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -8.104 -8.829 -9.122 1.00 0.00 N ATOM 50 CA LEU A 5 -7.388 -8.940 -7.859 1.00 0.00 C ATOM 51 C LEU A 5 -7.593 -10.320 -7.240 1.00 0.00 C ATOM 52 O LEU A 5 -8.719 -10.821 -7.188 1.00 0.00 O ATOM 53 CB LEU A 5 -7.860 -7.857 -6.889 1.00 0.00 C ATOM 54 CG LEU A 5 -6.743 -7.127 -6.138 1.00 0.00 C ATOM 55 CD1 LEU A 5 -5.764 -6.489 -7.114 1.00 0.00 C ATOM 56 CD2 LEU A 5 -7.327 -6.078 -5.205 1.00 0.00 C ATOM 0 HA LEU A 5 -6.325 -8.804 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.444 -7.123 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.531 -8.311 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.199 -7.858 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.979 -5.976 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.319 -7.262 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.292 -5.772 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.519 -5.569 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.897 -5.352 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.984 -6.560 -4.481 1.00 0.00 H new ATOM 68 N PRO A 6 -6.505 -10.964 -6.789 1.00 0.00 N ATOM 69 CA PRO A 6 -6.568 -12.276 -6.134 1.00 0.00 C ATOM 70 C PRO A 6 -7.237 -12.204 -4.759 1.00 0.00 C ATOM 71 O PRO A 6 -7.270 -11.146 -4.127 1.00 0.00 O ATOM 72 CB PRO A 6 -5.091 -12.691 -5.998 1.00 0.00 C ATOM 73 CG PRO A 6 -4.335 -11.759 -6.882 1.00 0.00 C ATOM 74 CD PRO A 6 -5.121 -10.481 -6.894 1.00 0.00 C ATOM 0 HA PRO A 6 -7.166 -12.986 -6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.754 -12.612 -4.964 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.944 -13.727 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.326 -11.594 -6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.237 -12.167 -7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.853 -9.831 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.957 -9.911 -7.809 1.00 0.00 H new ATOM 82 N PRO A 7 -7.801 -13.326 -4.292 1.00 0.00 N ATOM 83 CA PRO A 7 -8.460 -13.406 -2.981 1.00 0.00 C ATOM 84 C PRO A 7 -7.488 -13.157 -1.834 1.00 0.00 C ATOM 85 O PRO A 7 -6.435 -13.797 -1.738 1.00 0.00 O ATOM 86 CB PRO A 7 -8.998 -14.839 -2.931 1.00 0.00 C ATOM 87 CG PRO A 7 -9.009 -15.301 -4.347 1.00 0.00 C ATOM 88 CD PRO A 7 -7.856 -14.606 -5.006 1.00 0.00 C ATOM 0 HA PRO A 7 -9.236 -12.648 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.365 -15.476 -2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.998 -14.869 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.900 -16.384 -4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.950 -15.048 -4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.929 -15.169 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.024 -14.467 -6.074 1.00 0.00 H new ATOM 96 N GLY A 8 -7.850 -12.235 -0.959 1.00 0.00 N ATOM 97 CA GLY A 8 -6.961 -11.833 0.109 1.00 0.00 C ATOM 98 C GLY A 8 -6.360 -10.478 -0.161 1.00 0.00 C ATOM 99 O GLY A 8 -5.599 -9.963 0.646 1.00 0.00 O ATOM 0 H GLY A 8 -8.750 -11.754 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.508 -11.809 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.166 -12.570 0.220 1.00 0.00 H new ATOM 103 N TRP A 9 -6.702 -9.907 -1.305 1.00 0.00 N ATOM 104 CA TRP A 9 -6.238 -8.579 -1.673 1.00 0.00 C ATOM 105 C TRP A 9 -7.383 -7.579 -1.592 1.00 0.00 C ATOM 106 O TRP A 9 -8.537 -7.928 -1.850 1.00 0.00 O ATOM 107 CB TRP A 9 -5.668 -8.597 -3.087 1.00 0.00 C ATOM 108 CG TRP A 9 -4.300 -9.189 -3.172 1.00 0.00 C ATOM 109 CD1 TRP A 9 -3.972 -10.463 -3.534 1.00 0.00 C ATOM 110 CD2 TRP A 9 -3.071 -8.521 -2.896 1.00 0.00 C ATOM 111 NE1 TRP A 9 -2.607 -10.626 -3.500 1.00 0.00 N ATOM 112 CE2 TRP A 9 -2.031 -9.444 -3.107 1.00 0.00 C ATOM 113 CE3 TRP A 9 -2.750 -7.232 -2.489 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -0.690 -9.107 -2.922 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.425 -6.902 -2.307 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.409 -7.833 -2.524 1.00 0.00 C ATOM 0 H TRP A 9 -7.305 -10.347 -2.000 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.456 -8.278 -0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.340 -9.161 -3.734 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.638 -7.577 -3.471 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -4.681 -11.231 -3.807 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.105 -11.484 -3.729 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.526 -6.501 -2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.097 -9.828 -3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.168 -5.902 -1.990 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.619 -7.539 -2.374 1.00 0.00 H new ATOM 127 N GLU A 10 -7.074 -6.342 -1.228 1.00 0.00 N ATOM 128 CA GLU A 10 -8.093 -5.311 -1.109 1.00 0.00 C ATOM 129 C GLU A 10 -7.640 -4.013 -1.767 1.00 0.00 C ATOM 130 O GLU A 10 -6.564 -3.502 -1.466 1.00 0.00 O ATOM 131 CB GLU A 10 -8.397 -5.066 0.364 1.00 0.00 C ATOM 132 CG GLU A 10 -9.821 -4.628 0.635 1.00 0.00 C ATOM 133 CD GLU A 10 -10.094 -4.470 2.112 1.00 0.00 C ATOM 134 OE1 GLU A 10 -9.180 -4.034 2.842 1.00 0.00 O ATOM 135 OE2 GLU A 10 -11.211 -4.796 2.553 1.00 0.00 O ATOM 0 H GLU A 10 -6.128 -6.029 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.993 -5.653 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.197 -5.980 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.715 -4.305 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.012 -3.682 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.511 -5.360 0.215 1.00 0.00 H new ATOM 142 N GLU A 11 -8.460 -3.490 -2.669 1.00 0.00 N ATOM 143 CA GLU A 11 -8.179 -2.207 -3.298 1.00 0.00 C ATOM 144 C GLU A 11 -8.525 -1.080 -2.339 1.00 0.00 C ATOM 145 O GLU A 11 -9.691 -0.883 -1.990 1.00 0.00 O ATOM 146 CB GLU A 11 -8.974 -2.055 -4.594 1.00 0.00 C ATOM 147 CG GLU A 11 -8.599 -0.818 -5.395 1.00 0.00 C ATOM 148 CD GLU A 11 -9.396 -0.688 -6.673 1.00 0.00 C ATOM 149 OE1 GLU A 11 -9.245 -1.546 -7.566 1.00 0.00 O ATOM 150 OE2 GLU A 11 -10.177 0.277 -6.798 1.00 0.00 O ATOM 0 H GLU A 11 -9.324 -3.934 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.117 -2.162 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.818 -2.939 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.037 -2.016 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.757 0.069 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.537 -0.854 -5.636 1.00 0.00 H new ATOM 157 N LYS A 12 -7.509 -0.364 -1.897 1.00 0.00 N ATOM 158 CA LYS A 12 -7.683 0.684 -0.907 1.00 0.00 C ATOM 159 C LYS A 12 -6.953 1.955 -1.314 1.00 0.00 C ATOM 160 O LYS A 12 -5.826 1.900 -1.793 1.00 0.00 O ATOM 161 CB LYS A 12 -7.156 0.210 0.448 1.00 0.00 C ATOM 162 CG LYS A 12 -8.233 0.088 1.506 1.00 0.00 C ATOM 163 CD LYS A 12 -7.652 0.181 2.908 1.00 0.00 C ATOM 164 CE LYS A 12 -7.727 -1.154 3.632 1.00 0.00 C ATOM 165 NZ LYS A 12 -9.127 -1.621 3.813 1.00 0.00 N ATOM 0 H LYS A 12 -6.547 -0.490 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.748 0.905 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.671 -0.758 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.393 0.906 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.973 0.876 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.753 -0.863 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.614 0.508 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.193 0.936 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.167 -1.901 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.248 -1.063 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.293 -1.839 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.784 -0.875 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.284 -2.476 3.242 1.00 0.00 H new ATOM 179 N VAL A 13 -7.598 3.097 -1.144 1.00 0.00 N ATOM 180 CA VAL A 13 -6.894 4.364 -1.231 1.00 0.00 C ATOM 181 C VAL A 13 -6.374 4.718 0.157 1.00 0.00 C ATOM 182 O VAL A 13 -7.145 4.795 1.118 1.00 0.00 O ATOM 183 CB VAL A 13 -7.787 5.506 -1.788 1.00 0.00 C ATOM 184 CG1 VAL A 13 -7.410 6.859 -1.194 1.00 0.00 C ATOM 185 CG2 VAL A 13 -7.686 5.568 -3.303 1.00 0.00 C ATOM 0 H VAL A 13 -8.596 3.173 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.068 4.255 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.814 5.283 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.057 7.632 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.531 6.827 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.372 7.087 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.318 6.374 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.652 5.754 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.016 4.620 -3.729 1.00 0.00 H new ATOM 195 N ASP A 14 -5.065 4.873 0.268 1.00 0.00 N ATOM 196 CA ASP A 14 -4.440 5.188 1.546 1.00 0.00 C ATOM 197 C ASP A 14 -4.656 6.657 1.913 1.00 0.00 C ATOM 198 O ASP A 14 -5.784 7.081 2.159 1.00 0.00 O ATOM 199 CB ASP A 14 -2.949 4.856 1.504 1.00 0.00 C ATOM 200 CG ASP A 14 -2.309 4.852 2.879 1.00 0.00 C ATOM 201 OD1 ASP A 14 -2.645 3.974 3.699 1.00 0.00 O ATOM 202 OD2 ASP A 14 -1.463 5.732 3.142 1.00 0.00 O ATOM 0 H ASP A 14 -4.412 4.786 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.910 4.577 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.812 3.878 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.437 5.582 0.872 1.00 0.00 H new ATOM 207 N ASN A 15 -3.583 7.435 1.926 1.00 0.00 N ATOM 208 CA ASN A 15 -3.664 8.835 2.318 1.00 0.00 C ATOM 209 C ASN A 15 -4.160 9.711 1.172 1.00 0.00 C ATOM 210 O ASN A 15 -3.410 10.520 0.623 1.00 0.00 O ATOM 211 CB ASN A 15 -2.303 9.326 2.803 1.00 0.00 C ATOM 212 CG ASN A 15 -2.414 10.515 3.739 1.00 0.00 C ATOM 213 OD1 ASN A 15 -2.683 10.366 4.929 1.00 0.00 O ATOM 214 ND2 ASN A 15 -2.208 11.706 3.202 1.00 0.00 N ATOM 0 H ASN A 15 -2.647 7.121 1.670 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.385 8.911 3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.788 8.513 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.692 9.600 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.270 12.544 3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.987 11.787 2.210 1.00 0.00 H new ATOM 221 N LEU A 16 -5.420 9.504 0.798 1.00 0.00 N ATOM 222 CA LEU A 16 -6.142 10.382 -0.132 1.00 0.00 C ATOM 223 C LEU A 16 -5.588 10.364 -1.563 1.00 0.00 C ATOM 224 O LEU A 16 -6.093 11.087 -2.425 1.00 0.00 O ATOM 225 CB LEU A 16 -6.153 11.822 0.395 1.00 0.00 C ATOM 226 CG LEU A 16 -6.589 11.978 1.850 1.00 0.00 C ATOM 227 CD1 LEU A 16 -5.707 12.991 2.559 1.00 0.00 C ATOM 228 CD2 LEU A 16 -8.046 12.398 1.922 1.00 0.00 C ATOM 0 H LEU A 16 -5.977 8.717 1.132 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.156 9.987 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.152 12.240 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.817 12.417 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.482 11.016 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.029 13.092 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.671 12.653 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.787 13.956 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.343 12.505 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.176 13.350 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.667 11.640 1.444 1.00 0.00 H new ATOM 240 N GLY A 17 -4.567 9.556 -1.835 1.00 0.00 N ATOM 241 CA GLY A 17 -4.016 9.541 -3.182 1.00 0.00 C ATOM 242 C GLY A 17 -2.981 8.460 -3.425 1.00 0.00 C ATOM 243 O GLY A 17 -2.096 8.622 -4.265 1.00 0.00 O ATOM 0 H GLY A 17 -4.120 8.927 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.832 9.412 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.564 10.512 -3.387 1.00 0.00 H new ATOM 247 N ARG A 18 -3.072 7.366 -2.691 1.00 0.00 N ATOM 248 CA ARG A 18 -2.277 6.187 -3.003 1.00 0.00 C ATOM 249 C ARG A 18 -3.194 4.983 -3.084 1.00 0.00 C ATOM 250 O ARG A 18 -3.497 4.350 -2.072 1.00 0.00 O ATOM 251 CB ARG A 18 -1.147 5.940 -1.986 1.00 0.00 C ATOM 252 CG ARG A 18 -1.184 6.842 -0.758 1.00 0.00 C ATOM 253 CD ARG A 18 0.116 7.614 -0.603 1.00 0.00 C ATOM 254 NE ARG A 18 0.434 7.906 0.796 1.00 0.00 N ATOM 255 CZ ARG A 18 0.707 9.130 1.254 1.00 0.00 C ATOM 256 NH1 ARG A 18 0.663 10.173 0.435 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.014 9.310 2.535 1.00 0.00 N ATOM 0 H ARG A 18 -3.683 7.267 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.789 6.356 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.193 4.901 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.189 6.073 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.017 7.540 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.361 6.240 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.930 7.039 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.048 8.549 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 18 0.448 7.130 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.420 10.041 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.872 11.107 0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.041 8.512 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.222 10.246 2.883 1.00 0.00 H new ATOM 271 N THR A 19 -3.672 4.711 -4.286 1.00 0.00 N ATOM 272 CA THR A 19 -4.535 3.571 -4.524 1.00 0.00 C ATOM 273 C THR A 19 -3.709 2.300 -4.533 1.00 0.00 C ATOM 274 O THR A 19 -3.083 1.952 -5.538 1.00 0.00 O ATOM 275 CB THR A 19 -5.287 3.699 -5.860 1.00 0.00 C ATOM 276 OG1 THR A 19 -5.420 5.082 -6.218 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.662 3.054 -5.770 1.00 0.00 C ATOM 0 H THR A 19 -3.474 5.269 -5.116 1.00 0.00 H new ATOM 0 HA THR A 19 -5.271 3.536 -3.721 1.00 0.00 H new ATOM 0 HB THR A 19 -4.712 3.182 -6.628 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.898 5.155 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.175 3.157 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.553 1.997 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.244 3.546 -4.991 1.00 0.00 H new ATOM 285 N TYR A 20 -3.682 1.625 -3.405 1.00 0.00 N ATOM 286 CA TYR A 20 -2.879 0.437 -3.268 1.00 0.00 C ATOM 287 C TYR A 20 -3.745 -0.775 -3.049 1.00 0.00 C ATOM 288 O TYR A 20 -4.963 -0.678 -2.914 1.00 0.00 O ATOM 289 CB TYR A 20 -1.868 0.579 -2.126 1.00 0.00 C ATOM 290 CG TYR A 20 -2.457 0.587 -0.728 1.00 0.00 C ATOM 291 CD1 TYR A 20 -3.277 1.619 -0.295 1.00 0.00 C ATOM 292 CD2 TYR A 20 -2.170 -0.437 0.166 1.00 0.00 C ATOM 293 CE1 TYR A 20 -3.796 1.632 0.985 1.00 0.00 C ATOM 294 CE2 TYR A 20 -2.688 -0.431 1.446 1.00 0.00 C ATOM 295 CZ TYR A 20 -3.498 0.604 1.852 1.00 0.00 C ATOM 296 OH TYR A 20 -4.010 0.614 3.130 1.00 0.00 O ATOM 0 H TYR A 20 -4.209 1.882 -2.570 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.326 0.306 -4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.152 -0.240 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.310 1.504 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.514 2.427 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.532 -1.251 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.432 2.444 1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.458 -1.237 2.127 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.705 -0.183 3.611 1.00 0.00 H new ATOM 306 N TYR A 21 -3.102 -1.915 -3.026 1.00 0.00 N ATOM 307 CA TYR A 21 -3.784 -3.163 -2.825 1.00 0.00 C ATOM 308 C TYR A 21 -3.186 -3.845 -1.614 1.00 0.00 C ATOM 309 O TYR A 21 -1.993 -4.143 -1.579 1.00 0.00 O ATOM 310 CB TYR A 21 -3.676 -4.020 -4.090 1.00 0.00 C ATOM 311 CG TYR A 21 -4.115 -3.266 -5.330 1.00 0.00 C ATOM 312 CD1 TYR A 21 -5.450 -3.220 -5.700 1.00 0.00 C ATOM 313 CD2 TYR A 21 -3.199 -2.567 -6.109 1.00 0.00 C ATOM 314 CE1 TYR A 21 -5.861 -2.514 -6.812 1.00 0.00 C ATOM 315 CE2 TYR A 21 -3.602 -1.852 -7.217 1.00 0.00 C ATOM 316 CZ TYR A 21 -4.933 -1.829 -7.566 1.00 0.00 C ATOM 317 OH TYR A 21 -5.341 -1.113 -8.670 1.00 0.00 O ATOM 0 H TYR A 21 -2.093 -2.001 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.846 -3.003 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.646 -4.353 -4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.288 -4.914 -3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.183 -3.747 -5.107 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.153 -2.585 -5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.904 -2.498 -7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.877 -1.313 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.564 -0.688 -9.090 1.00 0.00 H new ATOM 327 N VAL A 22 -4.008 -4.026 -0.604 1.00 0.00 N ATOM 328 CA VAL A 22 -3.544 -4.549 0.662 1.00 0.00 C ATOM 329 C VAL A 22 -3.982 -5.990 0.849 1.00 0.00 C ATOM 330 O VAL A 22 -5.173 -6.302 0.835 1.00 0.00 O ATOM 331 CB VAL A 22 -4.044 -3.683 1.838 1.00 0.00 C ATOM 332 CG1 VAL A 22 -5.517 -3.352 1.692 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.775 -4.355 3.177 1.00 0.00 C ATOM 0 H VAL A 22 -5.006 -3.818 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.455 -4.518 0.651 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.483 -2.749 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.838 -2.741 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.676 -2.802 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.097 -4.275 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.139 -3.718 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.290 -5.315 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.703 -4.513 3.296 1.00 0.00 H new ATOM 343 N ASN A 23 -3.010 -6.867 0.999 1.00 0.00 N ATOM 344 CA ASN A 23 -3.295 -8.255 1.289 1.00 0.00 C ATOM 345 C ASN A 23 -3.736 -8.382 2.744 1.00 0.00 C ATOM 346 O ASN A 23 -3.266 -7.645 3.607 1.00 0.00 O ATOM 347 CB ASN A 23 -2.067 -9.124 1.018 1.00 0.00 C ATOM 348 CG ASN A 23 -2.414 -10.590 0.849 1.00 0.00 C ATOM 349 OD1 ASN A 23 -2.681 -11.290 1.825 1.00 0.00 O ATOM 350 ND2 ASN A 23 -2.409 -11.063 -0.384 1.00 0.00 N ATOM 0 H ASN A 23 -2.018 -6.642 0.925 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.098 -8.603 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.566 -8.767 0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.361 -9.014 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.632 -12.043 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.182 -10.448 -1.165 1.00 0.00 H new ATOM 357 N HIS A 24 -4.657 -9.286 3.015 1.00 0.00 N ATOM 358 CA HIS A 24 -5.172 -9.453 4.367 1.00 0.00 C ATOM 359 C HIS A 24 -4.544 -10.659 5.047 1.00 0.00 C ATOM 360 O HIS A 24 -4.376 -10.678 6.262 1.00 0.00 O ATOM 361 CB HIS A 24 -6.693 -9.590 4.339 1.00 0.00 C ATOM 362 CG HIS A 24 -7.404 -8.273 4.324 1.00 0.00 C ATOM 363 ND1 HIS A 24 -8.595 -8.055 4.973 1.00 0.00 N ATOM 364 CD2 HIS A 24 -7.080 -7.100 3.731 1.00 0.00 C ATOM 365 CE1 HIS A 24 -8.979 -6.807 4.781 1.00 0.00 C ATOM 366 NE2 HIS A 24 -8.078 -6.203 4.030 1.00 0.00 N ATOM 0 H HIS A 24 -5.065 -9.915 2.323 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.908 -8.566 4.943 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.984 -10.162 3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.016 -10.160 5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.201 -6.905 3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.879 -6.356 5.173 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.116 -5.231 3.722 1.00 0.00 H new ATOM 375 N ASN A 25 -4.181 -11.656 4.260 1.00 0.00 N ATOM 376 CA ASN A 25 -3.586 -12.875 4.798 1.00 0.00 C ATOM 377 C ASN A 25 -2.081 -12.703 5.017 1.00 0.00 C ATOM 378 O ASN A 25 -1.556 -13.066 6.067 1.00 0.00 O ATOM 379 CB ASN A 25 -3.920 -14.066 3.876 1.00 0.00 C ATOM 380 CG ASN A 25 -2.711 -14.713 3.220 1.00 0.00 C ATOM 381 OD1 ASN A 25 -1.846 -15.293 3.880 1.00 0.00 O ATOM 382 ND2 ASN A 25 -2.663 -14.629 1.901 1.00 0.00 N ATOM 0 H ASN A 25 -4.286 -11.649 3.245 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.014 -13.084 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.450 -14.821 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.602 -13.726 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.889 -15.054 1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.400 -14.139 1.394 1.00 0.00 H new ATOM 389 N ASN A 26 -1.394 -12.129 4.041 1.00 0.00 N ATOM 390 CA ASN A 26 0.037 -11.876 4.166 1.00 0.00 C ATOM 391 C ASN A 26 0.284 -10.421 4.541 1.00 0.00 C ATOM 392 O ASN A 26 1.398 -10.031 4.891 1.00 0.00 O ATOM 393 CB ASN A 26 0.756 -12.211 2.860 1.00 0.00 C ATOM 394 CG ASN A 26 2.189 -12.649 3.092 1.00 0.00 C ATOM 395 OD1 ASN A 26 2.446 -13.597 3.834 1.00 0.00 O ATOM 396 ND2 ASN A 26 3.129 -11.965 2.463 1.00 0.00 N ATOM 0 H ASN A 26 -1.801 -11.830 3.155 1.00 0.00 H new ATOM 0 HA ASN A 26 0.433 -12.516 4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.215 -13.003 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.746 -11.338 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.110 -12.217 2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.873 -11.186 1.857 1.00 0.00 H new ATOM 403 N ARG A 27 -0.785 -9.631 4.466 1.00 0.00 N ATOM 404 CA ARG A 27 -0.765 -8.202 4.802 1.00 0.00 C ATOM 405 C ARG A 27 0.278 -7.426 3.993 1.00 0.00 C ATOM 406 O ARG A 27 0.774 -6.387 4.432 1.00 0.00 O ATOM 407 CB ARG A 27 -0.569 -7.971 6.309 1.00 0.00 C ATOM 408 CG ARG A 27 -1.042 -9.119 7.188 1.00 0.00 C ATOM 409 CD ARG A 27 -2.010 -8.639 8.255 1.00 0.00 C ATOM 410 NE ARG A 27 -3.170 -9.521 8.374 1.00 0.00 N ATOM 411 CZ ARG A 27 -3.493 -10.189 9.480 1.00 0.00 C ATOM 412 NH1 ARG A 27 -2.718 -10.120 10.555 1.00 0.00 N ATOM 413 NH2 ARG A 27 -4.588 -10.938 9.510 1.00 0.00 N ATOM 0 H ARG A 27 -1.701 -9.965 4.167 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.745 -7.812 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.489 -7.794 6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.102 -7.065 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.525 -9.876 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.183 -9.594 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.495 -8.584 9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.344 -7.630 8.015 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.771 -9.632 7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.870 -9.553 10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.970 -10.634 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.184 -11.003 8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.833 -11.449 10.358 1.00 0.00 H new ATOM 427 N SER A 28 0.610 -7.937 2.816 1.00 0.00 N ATOM 428 CA SER A 28 1.440 -7.208 1.874 1.00 0.00 C ATOM 429 C SER A 28 0.724 -5.935 1.435 1.00 0.00 C ATOM 430 O SER A 28 -0.388 -5.986 0.907 1.00 0.00 O ATOM 431 CB SER A 28 1.756 -8.093 0.672 1.00 0.00 C ATOM 432 OG SER A 28 2.101 -9.404 1.093 1.00 0.00 O ATOM 0 H SER A 28 0.315 -8.858 2.492 1.00 0.00 H new ATOM 0 HA SER A 28 2.378 -6.930 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.893 -8.134 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.578 -7.661 0.101 1.00 0.00 H new ATOM 0 HG SER A 28 2.853 -9.733 0.557 1.00 0.00 H new ATOM 438 N THR A 29 1.357 -4.799 1.667 1.00 0.00 N ATOM 439 CA THR A 29 0.723 -3.514 1.436 1.00 0.00 C ATOM 440 C THR A 29 1.442 -2.736 0.337 1.00 0.00 C ATOM 441 O THR A 29 2.135 -1.755 0.609 1.00 0.00 O ATOM 442 CB THR A 29 0.713 -2.688 2.735 1.00 0.00 C ATOM 443 OG1 THR A 29 1.499 -3.352 3.738 1.00 0.00 O ATOM 444 CG2 THR A 29 -0.702 -2.496 3.252 1.00 0.00 C ATOM 0 H THR A 29 2.313 -4.741 2.017 1.00 0.00 H new ATOM 0 HA THR A 29 -0.302 -3.697 1.114 1.00 0.00 H new ATOM 0 HB THR A 29 1.138 -1.708 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.492 -2.823 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.677 -1.909 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.295 -1.972 2.502 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.150 -3.469 3.455 1.00 0.00 H new ATOM 452 N GLN A 30 1.268 -3.172 -0.903 1.00 0.00 N ATOM 453 CA GLN A 30 1.947 -2.544 -2.027 1.00 0.00 C ATOM 454 C GLN A 30 0.999 -1.673 -2.833 1.00 0.00 C ATOM 455 O GLN A 30 -0.138 -2.055 -3.119 1.00 0.00 O ATOM 456 CB GLN A 30 2.573 -3.590 -2.947 1.00 0.00 C ATOM 457 CG GLN A 30 1.625 -4.712 -3.320 1.00 0.00 C ATOM 458 CD GLN A 30 2.329 -5.852 -4.021 1.00 0.00 C ATOM 459 OE1 GLN A 30 2.333 -5.808 -5.342 1.00 0.00 O flip ATOM 460 NE2 GLN A 30 2.863 -6.758 -3.384 1.00 0.00 N flip ATOM 0 H GLN A 30 0.665 -3.955 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 30 2.734 -1.916 -1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.920 -3.101 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.450 -4.014 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.139 -5.088 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.840 -4.321 -3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.835 -6.750 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.334 -7.518 -3.875 1.00 0.00 H new ATOM 469 N TRP A 31 1.489 -0.515 -3.222 1.00 0.00 N ATOM 470 CA TRP A 31 0.732 0.395 -4.064 1.00 0.00 C ATOM 471 C TRP A 31 1.140 0.213 -5.522 1.00 0.00 C ATOM 472 O TRP A 31 0.862 1.065 -6.361 1.00 0.00 O ATOM 473 CB TRP A 31 0.925 1.867 -3.636 1.00 0.00 C ATOM 474 CG TRP A 31 1.780 2.066 -2.414 1.00 0.00 C ATOM 475 CD1 TRP A 31 3.121 1.864 -2.326 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.361 2.527 -1.117 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.563 2.131 -1.056 1.00 0.00 N ATOM 478 CE2 TRP A 31 2.504 2.542 -0.295 1.00 0.00 C ATOM 479 CE3 TRP A 31 0.139 2.916 -0.564 1.00 0.00 C ATOM 480 CZ2 TRP A 31 2.459 2.929 1.040 1.00 0.00 C ATOM 481 CZ3 TRP A 31 0.097 3.301 0.760 1.00 0.00 C ATOM 482 CH2 TRP A 31 1.249 3.303 1.549 1.00 0.00 C ATOM 0 H TRP A 31 2.417 -0.177 -2.967 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.325 0.156 -3.949 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.370 2.416 -4.466 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.055 2.308 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.750 1.539 -3.142 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.526 2.038 -0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.759 2.915 -1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.349 2.933 1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.844 3.606 1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.181 3.607 2.583 1.00 0.00 H new ATOM 493 N HIS A 32 1.785 -0.915 -5.826 1.00 0.00 N ATOM 494 CA HIS A 32 2.258 -1.161 -7.189 1.00 0.00 C ATOM 495 C HIS A 32 1.503 -2.310 -7.846 1.00 0.00 C ATOM 496 O HIS A 32 1.861 -2.744 -8.936 1.00 0.00 O ATOM 497 CB HIS A 32 3.784 -1.397 -7.224 1.00 0.00 C ATOM 498 CG HIS A 32 4.265 -2.755 -6.794 1.00 0.00 C ATOM 499 ND1 HIS A 32 4.764 -3.012 -5.533 1.00 0.00 N ATOM 500 CD2 HIS A 32 4.391 -3.912 -7.488 1.00 0.00 C ATOM 501 CE1 HIS A 32 5.175 -4.266 -5.472 1.00 0.00 C ATOM 502 NE2 HIS A 32 4.959 -4.835 -6.645 1.00 0.00 N ATOM 0 H HIS A 32 1.989 -1.660 -5.160 1.00 0.00 H new ATOM 0 HA HIS A 32 2.052 -0.262 -7.770 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.133 -1.218 -8.241 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.259 -0.650 -6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.099 -4.078 -8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.613 -4.745 -4.609 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.178 -5.802 -6.885 1.00 0.00 H new ATOM 511 N ARG A 33 0.456 -2.782 -7.166 1.00 0.00 N ATOM 512 CA ARG A 33 -0.404 -3.860 -7.673 1.00 0.00 C ATOM 513 C ARG A 33 0.328 -5.202 -7.725 1.00 0.00 C ATOM 514 O ARG A 33 1.431 -5.306 -8.257 1.00 0.00 O ATOM 515 CB ARG A 33 -0.962 -3.519 -9.057 1.00 0.00 C ATOM 516 CG ARG A 33 -2.364 -4.054 -9.288 1.00 0.00 C ATOM 517 CD ARG A 33 -2.724 -4.052 -10.759 1.00 0.00 C ATOM 518 NE ARG A 33 -1.965 -5.055 -11.501 1.00 0.00 N ATOM 519 CZ ARG A 33 -2.252 -6.356 -11.506 1.00 0.00 C ATOM 520 NH1 ARG A 33 -3.368 -6.794 -10.933 1.00 0.00 N ATOM 521 NH2 ARG A 33 -1.444 -7.211 -12.119 1.00 0.00 N ATOM 0 H ARG A 33 0.179 -2.430 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.232 -3.954 -6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.969 -2.436 -9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.296 -3.923 -9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.436 -5.069 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.082 -3.447 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.791 -4.245 -10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.532 -3.065 -11.180 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.165 -4.740 -12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.006 -6.134 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.587 -7.790 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.603 -6.872 -12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.664 -8.207 -12.123 1.00 0.00 H new ATOM 535 N PRO A 34 -0.278 -6.244 -7.144 1.00 0.00 N ATOM 536 CA PRO A 34 0.287 -7.593 -7.174 1.00 0.00 C ATOM 537 C PRO A 34 0.279 -8.188 -8.578 1.00 0.00 C ATOM 538 O PRO A 34 -0.741 -8.699 -9.049 1.00 0.00 O ATOM 539 CB PRO A 34 -0.618 -8.396 -6.239 1.00 0.00 C ATOM 540 CG PRO A 34 -1.891 -7.622 -6.146 1.00 0.00 C ATOM 541 CD PRO A 34 -1.545 -6.182 -6.400 1.00 0.00 C ATOM 0 HA PRO A 34 1.333 -7.600 -6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.796 -9.397 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.160 -8.515 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.615 -7.980 -6.878 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.345 -7.742 -5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.322 -5.681 -6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.433 -5.628 -5.468 1.00 0.00 H new