USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 ASN : amide:sc= -0.0817 K(o=-0.082,f=-1.8!) USER MOD Single : A 1 ASN N :NH3+ -168:sc= -0.0433 (180deg=-0.217) USER MOD Single : A 2 LYS NZ :NH3+ -151:sc= -0.0869 (180deg=-0.498) USER MOD Single : A 8 GLN : amide:sc= -0.98 K(o=-0.98,f=-1.8) USER MOD Single : A 9 LYS NZ :NH3+ -138:sc= -0.708 (180deg=-3.33!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.977 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -2.89 F(o=-4.7,f=-2.9) USER MOD Single : A 24 THR OG1 : rot -25:sc= 0.0637 USER MOD Single : A 25 SER OG : rot -83:sc= 1.25 USER MOD Single : A 35 TYR OH : rot 165:sc= -1.15 USER MOD Single : A 36 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.3) USER MOD Single : A 37 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.607 (180deg=-2.68!) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -2.6 (180deg=-3.16!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -159:sc= -2.15 (180deg=-3.71!) USER MOD Single : A 50 TYR OH : rot 67:sc= 0.951 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -170:sc= -1.13 (180deg=-1.36) USER MOD Single : A 56 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.6) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 49:sc= -2.57! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -169:sc= -1.32! USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.112 -6.619 -2.030 1.00 0.00 N ATOM 2 CA ASN A 1 -12.948 -5.399 -2.180 1.00 0.00 C ATOM 3 C ASN A 1 -14.363 -5.633 -1.661 1.00 0.00 C ATOM 4 O ASN A 1 -15.017 -4.710 -1.174 1.00 0.00 O ATOM 5 CB ASN A 1 -12.985 -5.014 -3.661 1.00 0.00 C ATOM 6 CG ASN A 1 -13.332 -3.553 -3.869 1.00 0.00 C ATOM 7 OD1 ASN A 1 -13.160 -2.728 -2.973 1.00 0.00 O ATOM 8 ND2 ASN A 1 -13.826 -3.227 -5.058 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.114 -6.379 -2.197 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.220 -6.998 -1.068 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.416 -7.335 -2.720 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.513 -4.591 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.015 -5.222 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.717 -5.636 -4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -14.079 -2.259 -5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.952 -3.944 -5.772 1.00 0.00 H new ATOM 16 N LYS A 2 -14.831 -6.872 -1.770 1.00 0.00 N ATOM 17 CA LYS A 2 -16.169 -7.227 -1.311 1.00 0.00 C ATOM 18 C LYS A 2 -16.105 -8.079 -0.047 1.00 0.00 C ATOM 19 O LYS A 2 -16.974 -8.917 0.194 1.00 0.00 O ATOM 20 CB LYS A 2 -16.924 -7.980 -2.408 1.00 0.00 C ATOM 21 CG LYS A 2 -16.095 -9.059 -3.086 1.00 0.00 C ATOM 22 CD LYS A 2 -16.899 -10.333 -3.294 1.00 0.00 C ATOM 23 CE LYS A 2 -16.579 -10.981 -4.632 1.00 0.00 C ATOM 24 NZ LYS A 2 -16.974 -10.116 -5.777 1.00 0.00 N ATOM 0 H LYS A 2 -14.304 -7.647 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.701 -6.305 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.816 -8.436 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.262 -7.267 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.737 -8.693 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.215 -9.278 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.685 -11.035 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.964 -10.105 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.511 -11.191 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.096 -11.938 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.210 -10.711 -6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.803 -9.547 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.185 -9.485 -6.023 1.00 0.00 H new ATOM 38 N GLU A 3 -15.069 -7.859 0.757 1.00 0.00 N ATOM 39 CA GLU A 3 -14.891 -8.606 1.997 1.00 0.00 C ATOM 40 C GLU A 3 -14.154 -7.768 3.035 1.00 0.00 C ATOM 41 O GLU A 3 -14.754 -7.275 3.990 1.00 0.00 O ATOM 42 CB GLU A 3 -14.123 -9.902 1.730 1.00 0.00 C ATOM 43 CG GLU A 3 -14.923 -10.935 0.953 1.00 0.00 C ATOM 44 CD GLU A 3 -14.077 -12.110 0.504 1.00 0.00 C ATOM 45 OE1 GLU A 3 -13.391 -11.987 -0.532 1.00 0.00 O ATOM 46 OE2 GLU A 3 -14.099 -13.154 1.190 1.00 0.00 O ATOM 0 H GLU A 3 -14.340 -7.170 0.572 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.878 -8.852 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.213 -9.668 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.815 -10.334 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.742 -11.298 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.372 -10.460 0.080 1.00 0.00 H new ATOM 53 N LEU A 4 -12.847 -7.612 2.842 1.00 0.00 N ATOM 54 CA LEU A 4 -12.022 -6.835 3.760 1.00 0.00 C ATOM 55 C LEU A 4 -11.949 -7.503 5.127 1.00 0.00 C ATOM 56 O LEU A 4 -12.886 -7.422 5.921 1.00 0.00 O ATOM 57 CB LEU A 4 -12.567 -5.412 3.907 1.00 0.00 C ATOM 58 CG LEU A 4 -11.675 -4.460 4.707 1.00 0.00 C ATOM 59 CD1 LEU A 4 -11.805 -3.039 4.181 1.00 0.00 C ATOM 60 CD2 LEU A 4 -12.020 -4.517 6.190 1.00 0.00 C ATOM 0 H LEU A 4 -12.336 -8.015 2.056 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.017 -6.787 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.721 -4.993 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.544 -5.461 4.387 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.640 -4.778 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.164 -2.376 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.504 -3.010 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.841 -2.711 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.374 -3.833 6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.061 -4.227 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.872 -5.532 6.559 1.00 0.00 H new ATOM 72 N ASP A 5 -10.827 -8.158 5.396 1.00 0.00 N ATOM 73 CA ASP A 5 -10.630 -8.833 6.672 1.00 0.00 C ATOM 74 C ASP A 5 -10.574 -7.812 7.806 1.00 0.00 C ATOM 75 O ASP A 5 -10.254 -6.645 7.581 1.00 0.00 O ATOM 76 CB ASP A 5 -9.342 -9.661 6.643 1.00 0.00 C ATOM 77 CG ASP A 5 -9.596 -11.133 6.906 1.00 0.00 C ATOM 78 OD1 ASP A 5 -10.307 -11.767 6.097 1.00 0.00 O ATOM 79 OD2 ASP A 5 -9.084 -11.652 7.920 1.00 0.00 O ATOM 0 H ASP A 5 -10.042 -8.236 4.750 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.472 -9.503 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.861 -9.546 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.648 -9.275 7.390 1.00 0.00 H new ATOM 84 N PRO A 6 -10.886 -8.233 9.041 1.00 0.00 N ATOM 85 CA PRO A 6 -10.872 -7.340 10.204 1.00 0.00 C ATOM 86 C PRO A 6 -9.457 -6.989 10.658 1.00 0.00 C ATOM 87 O PRO A 6 -9.103 -7.188 11.819 1.00 0.00 O ATOM 88 CB PRO A 6 -11.594 -8.153 11.278 1.00 0.00 C ATOM 89 CG PRO A 6 -11.343 -9.574 10.906 1.00 0.00 C ATOM 90 CD PRO A 6 -11.285 -9.608 9.403 1.00 0.00 C ATOM 0 HA PRO A 6 -11.340 -6.380 9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.207 -7.929 12.272 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.661 -7.930 11.294 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.409 -9.931 11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.137 -10.221 11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.563 -10.342 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.250 -9.873 8.970 1.00 0.00 H new ATOM 98 N VAL A 7 -8.657 -6.459 9.736 1.00 0.00 N ATOM 99 CA VAL A 7 -7.281 -6.072 10.037 1.00 0.00 C ATOM 100 C VAL A 7 -6.568 -5.573 8.787 1.00 0.00 C ATOM 101 O VAL A 7 -5.956 -4.505 8.794 1.00 0.00 O ATOM 102 CB VAL A 7 -6.462 -7.233 10.646 1.00 0.00 C ATOM 103 CG1 VAL A 7 -6.448 -7.143 12.164 1.00 0.00 C ATOM 104 CG2 VAL A 7 -7.000 -8.583 10.188 1.00 0.00 C ATOM 0 H VAL A 7 -8.939 -6.287 8.771 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.346 -5.271 10.773 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.436 -7.144 10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.866 -7.969 12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.999 -6.198 12.468 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.469 -7.197 12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.405 -9.381 10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.038 -8.687 10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.942 -8.648 9.101 1.00 0.00 H new ATOM 114 N GLN A 8 -6.647 -6.351 7.710 1.00 0.00 N ATOM 115 CA GLN A 8 -6.005 -5.983 6.452 1.00 0.00 C ATOM 116 C GLN A 8 -6.337 -4.544 6.071 1.00 0.00 C ATOM 117 O GLN A 8 -5.547 -3.870 5.408 1.00 0.00 O ATOM 118 CB GLN A 8 -6.434 -6.935 5.333 1.00 0.00 C ATOM 119 CG GLN A 8 -7.915 -6.857 4.998 1.00 0.00 C ATOM 120 CD GLN A 8 -8.196 -7.139 3.535 1.00 0.00 C ATOM 121 OE1 GLN A 8 -8.792 -6.320 2.837 1.00 0.00 O ATOM 122 NE2 GLN A 8 -7.767 -8.305 3.065 1.00 0.00 N ATOM 0 H GLN A 8 -7.149 -7.239 7.684 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.927 -6.063 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.856 -6.712 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.190 -7.957 5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.461 -7.572 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.290 -5.865 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.277 -8.954 3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.928 -8.551 2.088 1.00 0.00 H new ATOM 131 N LYS A 9 -7.505 -4.074 6.501 1.00 0.00 N ATOM 132 CA LYS A 9 -7.927 -2.710 6.210 1.00 0.00 C ATOM 133 C LYS A 9 -6.934 -1.717 6.796 1.00 0.00 C ATOM 134 O LYS A 9 -6.502 -0.781 6.123 1.00 0.00 O ATOM 135 CB LYS A 9 -9.326 -2.447 6.772 1.00 0.00 C ATOM 136 CG LYS A 9 -9.448 -2.728 8.262 1.00 0.00 C ATOM 137 CD LYS A 9 -10.867 -2.502 8.759 1.00 0.00 C ATOM 138 CE LYS A 9 -11.324 -3.621 9.682 1.00 0.00 C ATOM 139 NZ LYS A 9 -12.586 -4.252 9.206 1.00 0.00 N ATOM 0 H LYS A 9 -8.172 -4.616 7.050 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.959 -2.583 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.594 -1.407 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.046 -3.064 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.150 -3.757 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.762 -2.084 8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.920 -1.550 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.544 -2.433 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.543 -4.378 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.472 -3.225 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.216 -4.421 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.056 -3.619 8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.368 -5.157 8.742 1.00 0.00 H new ATOM 153 N LEU A 10 -6.560 -1.940 8.053 1.00 0.00 N ATOM 154 CA LEU A 10 -5.600 -1.076 8.726 1.00 0.00 C ATOM 155 C LEU A 10 -4.276 -1.069 7.965 1.00 0.00 C ATOM 156 O LEU A 10 -3.509 -0.110 8.032 1.00 0.00 O ATOM 157 CB LEU A 10 -5.381 -1.547 10.169 1.00 0.00 C ATOM 158 CG LEU A 10 -4.421 -2.729 10.337 1.00 0.00 C ATOM 159 CD1 LEU A 10 -3.074 -2.255 10.861 1.00 0.00 C ATOM 160 CD2 LEU A 10 -5.017 -3.776 11.267 1.00 0.00 C ATOM 0 H LEU A 10 -6.907 -2.711 8.624 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.997 -0.061 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.003 -0.708 10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.346 -1.822 10.594 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.268 -3.186 9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.406 -3.109 10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.639 -1.545 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.210 -1.771 11.828 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.320 -4.607 11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.203 -3.331 12.244 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.956 -4.141 10.850 1.00 0.00 H new ATOM 172 N PHE A 11 -4.025 -2.155 7.238 1.00 0.00 N ATOM 173 CA PHE A 11 -2.806 -2.296 6.455 1.00 0.00 C ATOM 174 C PHE A 11 -2.754 -1.262 5.342 1.00 0.00 C ATOM 175 O PHE A 11 -1.790 -0.508 5.233 1.00 0.00 O ATOM 176 CB PHE A 11 -2.723 -3.705 5.870 1.00 0.00 C ATOM 177 CG PHE A 11 -1.356 -4.309 5.962 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.434 -4.108 4.952 1.00 0.00 C ATOM 179 CD2 PHE A 11 -0.992 -5.068 7.059 1.00 0.00 C ATOM 180 CE1 PHE A 11 0.832 -4.653 5.031 1.00 0.00 C ATOM 181 CE2 PHE A 11 0.272 -5.620 7.147 1.00 0.00 C ATOM 182 CZ PHE A 11 1.187 -5.412 6.131 1.00 0.00 C ATOM 0 H PHE A 11 -4.656 -2.954 7.177 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.953 -2.131 7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.432 -4.349 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.029 -3.674 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.707 -3.517 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.703 -5.231 7.855 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.543 -4.487 4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.545 -6.213 8.008 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.176 -5.841 6.197 1.00 0.00 H new ATOM 192 N VAL A 12 -3.799 -1.220 4.523 1.00 0.00 N ATOM 193 CA VAL A 12 -3.862 -0.261 3.430 1.00 0.00 C ATOM 194 C VAL A 12 -3.634 1.156 3.951 1.00 0.00 C ATOM 195 O VAL A 12 -3.185 2.035 3.215 1.00 0.00 O ATOM 196 CB VAL A 12 -5.218 -0.333 2.700 1.00 0.00 C ATOM 197 CG1 VAL A 12 -5.356 0.796 1.686 1.00 0.00 C ATOM 198 CG2 VAL A 12 -5.383 -1.686 2.023 1.00 0.00 C ATOM 0 H VAL A 12 -4.609 -1.836 4.595 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.075 -0.516 2.721 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.009 -0.215 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.322 0.720 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.287 1.756 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.558 0.721 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.345 -1.722 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.581 -1.831 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.341 -2.476 2.773 1.00 0.00 H new ATOM 208 N ASP A 13 -3.934 1.363 5.230 1.00 0.00 N ATOM 209 CA ASP A 13 -3.750 2.665 5.852 1.00 0.00 C ATOM 210 C ASP A 13 -2.378 2.762 6.516 1.00 0.00 C ATOM 211 O ASP A 13 -2.115 3.693 7.275 1.00 0.00 O ATOM 212 CB ASP A 13 -4.851 2.926 6.881 1.00 0.00 C ATOM 213 CG ASP A 13 -6.061 3.608 6.272 1.00 0.00 C ATOM 214 OD1 ASP A 13 -5.972 4.817 5.973 1.00 0.00 O ATOM 215 OD2 ASP A 13 -7.096 2.932 6.095 1.00 0.00 O ATOM 0 H ASP A 13 -4.305 0.645 5.853 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.810 3.424 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.157 1.981 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.454 3.546 7.685 1.00 0.00 H new ATOM 220 N LYS A 14 -1.497 1.809 6.207 1.00 0.00 N ATOM 221 CA LYS A 14 -0.153 1.809 6.753 1.00 0.00 C ATOM 222 C LYS A 14 0.827 1.982 5.617 1.00 0.00 C ATOM 223 O LYS A 14 1.803 2.723 5.726 1.00 0.00 O ATOM 224 CB LYS A 14 0.130 0.513 7.516 1.00 0.00 C ATOM 225 CG LYS A 14 -0.839 0.257 8.661 1.00 0.00 C ATOM 226 CD LYS A 14 -0.130 0.262 10.006 1.00 0.00 C ATOM 227 CE LYS A 14 0.000 1.671 10.562 1.00 0.00 C ATOM 228 NZ LYS A 14 1.347 2.250 10.300 1.00 0.00 N ATOM 0 H LYS A 14 -1.697 1.030 5.580 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.049 2.632 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.087 -0.325 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.145 0.548 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.618 1.020 8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.333 -0.703 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.682 -0.359 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.860 -0.181 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.762 2.309 10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.186 1.656 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.395 3.211 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.073 1.655 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.515 2.288 9.274 1.00 0.00 H new ATOM 242 N ILE A 15 0.532 1.326 4.504 1.00 0.00 N ATOM 243 CA ILE A 15 1.369 1.454 3.331 1.00 0.00 C ATOM 244 C ILE A 15 1.123 2.813 2.682 1.00 0.00 C ATOM 245 O ILE A 15 1.916 3.297 1.878 1.00 0.00 O ATOM 246 CB ILE A 15 1.140 0.337 2.288 1.00 0.00 C ATOM 247 CG1 ILE A 15 -0.318 -0.134 2.296 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.096 -0.824 2.539 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.531 -1.432 3.034 1.00 0.00 C ATOM 0 H ILE A 15 -0.272 0.708 4.393 1.00 0.00 H new ATOM 0 HA ILE A 15 2.402 1.362 3.668 1.00 0.00 H new ATOM 0 HB ILE A 15 1.347 0.743 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.938 0.639 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.659 -0.251 1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.924 -1.604 1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.125 -0.471 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.924 -1.228 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.586 -1.702 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.061 -2.218 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.222 -1.315 4.073 1.00 0.00 H new ATOM 261 N ARG A 16 0.029 3.454 3.058 1.00 0.00 N ATOM 262 CA ARG A 16 -0.266 4.768 2.531 1.00 0.00 C ATOM 263 C ARG A 16 0.349 5.823 3.438 1.00 0.00 C ATOM 264 O ARG A 16 0.151 7.021 3.239 1.00 0.00 O ATOM 265 CB ARG A 16 -1.777 4.978 2.396 1.00 0.00 C ATOM 266 CG ARG A 16 -2.508 5.051 3.726 1.00 0.00 C ATOM 267 CD ARG A 16 -2.647 6.485 4.212 1.00 0.00 C ATOM 268 NE ARG A 16 -3.189 7.364 3.179 1.00 0.00 N ATOM 269 CZ ARG A 16 -3.090 8.692 3.210 1.00 0.00 C ATOM 270 NH1 ARG A 16 -2.472 9.295 4.217 1.00 0.00 N ATOM 271 NH2 ARG A 16 -3.611 9.418 2.229 1.00 0.00 N ATOM 0 H ARG A 16 -0.659 3.089 3.717 1.00 0.00 H new ATOM 0 HA ARG A 16 0.166 4.857 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.958 5.899 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.196 4.163 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.497 4.604 3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.969 4.465 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.297 6.510 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.672 6.856 4.529 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.671 6.936 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.069 8.741 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.399 10.312 4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.087 8.959 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.536 10.435 2.252 1.00 0.00 H new ATOM 285 N GLU A 17 1.103 5.362 4.443 1.00 0.00 N ATOM 286 CA GLU A 17 1.752 6.259 5.383 1.00 0.00 C ATOM 287 C GLU A 17 3.271 6.218 5.230 1.00 0.00 C ATOM 288 O GLU A 17 3.967 7.165 5.600 1.00 0.00 O ATOM 289 CB GLU A 17 1.364 5.894 6.813 1.00 0.00 C ATOM 290 CG GLU A 17 -0.089 5.477 6.962 1.00 0.00 C ATOM 291 CD GLU A 17 -1.042 6.656 6.916 1.00 0.00 C ATOM 292 OE1 GLU A 17 -0.655 7.711 6.372 1.00 0.00 O ATOM 293 OE2 GLU A 17 -2.176 6.522 7.421 1.00 0.00 O ATOM 0 H GLU A 17 1.274 4.372 4.619 1.00 0.00 H new ATOM 0 HA GLU A 17 1.415 7.273 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.004 5.081 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.556 6.748 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.345 4.776 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.216 4.948 7.907 1.00 0.00 H new ATOM 300 N TYR A 18 3.776 5.130 4.671 1.00 0.00 N ATOM 301 CA TYR A 18 5.208 4.978 4.453 1.00 0.00 C ATOM 302 C TYR A 18 5.559 5.326 3.006 1.00 0.00 C ATOM 303 O TYR A 18 6.669 5.779 2.722 1.00 0.00 O ATOM 304 CB TYR A 18 5.646 3.542 4.774 1.00 0.00 C ATOM 305 CG TYR A 18 5.435 2.618 3.612 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.194 2.555 3.035 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.455 1.849 3.073 1.00 0.00 C ATOM 308 CE1 TYR A 18 3.945 1.765 1.957 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.218 1.032 1.981 1.00 0.00 C ATOM 310 CZ TYR A 18 4.955 0.995 1.423 1.00 0.00 C ATOM 311 OH TYR A 18 4.706 0.193 0.333 1.00 0.00 O ATOM 0 H TYR A 18 3.215 4.337 4.359 1.00 0.00 H new ATOM 0 HA TYR A 18 5.738 5.661 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.699 3.538 5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.086 3.176 5.635 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.392 3.149 3.448 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.442 1.888 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.958 1.741 1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.014 0.429 1.569 1.00 0.00 H new ATOM 0 HH TYR A 18 5.526 -0.282 0.082 1.00 0.00 H new ATOM 321 N ARG A 19 4.603 5.128 2.095 1.00 0.00 N ATOM 322 CA ARG A 19 4.826 5.443 0.691 1.00 0.00 C ATOM 323 C ARG A 19 4.547 6.916 0.462 1.00 0.00 C ATOM 324 O ARG A 19 5.129 7.551 -0.418 1.00 0.00 O ATOM 325 CB ARG A 19 3.935 4.584 -0.208 1.00 0.00 C ATOM 326 CG ARG A 19 4.631 4.116 -1.476 1.00 0.00 C ATOM 327 CD ARG A 19 4.465 2.619 -1.686 1.00 0.00 C ATOM 328 NE ARG A 19 5.161 2.153 -2.884 1.00 0.00 N ATOM 329 CZ ARG A 19 6.482 2.014 -2.965 1.00 0.00 C ATOM 330 NH1 ARG A 19 7.253 2.304 -1.925 1.00 0.00 N ATOM 331 NH2 ARG A 19 7.036 1.584 -4.092 1.00 0.00 N ATOM 0 H ARG A 19 3.678 4.755 2.306 1.00 0.00 H new ATOM 0 HA ARG A 19 5.863 5.225 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.596 3.714 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.047 5.155 -0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.224 4.652 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.692 4.361 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.847 2.086 -0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.405 2.380 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 19 4.602 1.921 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.834 2.636 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.265 2.195 -1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.449 1.360 -4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.049 1.477 -4.154 1.00 0.00 H new ATOM 345 N THR A 20 3.662 7.456 1.290 1.00 0.00 N ATOM 346 CA THR A 20 3.301 8.860 1.228 1.00 0.00 C ATOM 347 C THR A 20 4.531 9.724 1.484 1.00 0.00 C ATOM 348 O THR A 20 4.697 10.783 0.878 1.00 0.00 O ATOM 349 CB THR A 20 2.237 9.146 2.282 1.00 0.00 C ATOM 350 OG1 THR A 20 2.197 10.524 2.612 1.00 0.00 O ATOM 351 CG2 THR A 20 2.478 8.370 3.546 1.00 0.00 C ATOM 0 H THR A 20 3.178 6.933 2.019 1.00 0.00 H new ATOM 0 HA THR A 20 2.909 9.094 0.238 1.00 0.00 H new ATOM 0 HB THR A 20 1.287 8.839 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.505 10.678 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.698 8.603 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.462 7.303 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.449 8.641 3.960 1.00 0.00 H new ATOM 359 N LYS A 21 5.391 9.261 2.391 1.00 0.00 N ATOM 360 CA LYS A 21 6.607 9.990 2.731 1.00 0.00 C ATOM 361 C LYS A 21 7.547 10.070 1.531 1.00 0.00 C ATOM 362 O LYS A 21 8.297 11.034 1.381 1.00 0.00 O ATOM 363 CB LYS A 21 7.317 9.319 3.908 1.00 0.00 C ATOM 364 CG LYS A 21 7.849 10.301 4.939 1.00 0.00 C ATOM 365 CD LYS A 21 6.738 10.821 5.837 1.00 0.00 C ATOM 366 CE LYS A 21 6.073 9.694 6.611 1.00 0.00 C ATOM 367 NZ LYS A 21 5.720 10.105 7.998 1.00 0.00 N ATOM 0 H LYS A 21 5.266 8.386 2.901 1.00 0.00 H new ATOM 0 HA LYS A 21 6.326 11.004 3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.624 8.633 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.145 8.720 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.612 9.815 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.330 11.137 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.145 11.552 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.993 11.338 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.172 9.376 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.742 8.834 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.269 9.309 8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.583 10.385 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.062 10.909 7.965 1.00 0.00 H new ATOM 381 N ARG A 22 7.500 9.050 0.681 1.00 0.00 N ATOM 382 CA ARG A 22 8.348 9.005 -0.506 1.00 0.00 C ATOM 383 C ARG A 22 7.949 10.089 -1.501 1.00 0.00 C ATOM 384 O ARG A 22 8.794 10.636 -2.209 1.00 0.00 O ATOM 385 CB ARG A 22 8.259 7.629 -1.168 1.00 0.00 C ATOM 386 CG ARG A 22 9.263 6.626 -0.626 1.00 0.00 C ATOM 387 CD ARG A 22 8.758 5.200 -0.768 1.00 0.00 C ATOM 388 NE ARG A 22 9.131 4.371 0.376 1.00 0.00 N ATOM 389 CZ ARG A 22 10.359 3.901 0.583 1.00 0.00 C ATOM 390 NH1 ARG A 22 11.336 4.178 -0.271 1.00 0.00 N ATOM 391 NH2 ARG A 22 10.612 3.155 1.649 1.00 0.00 N ATOM 0 H ARG A 22 6.885 8.244 0.791 1.00 0.00 H new ATOM 0 HA ARG A 22 9.377 9.185 -0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.253 7.233 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.413 7.741 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.209 6.733 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.462 6.840 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.673 5.208 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.162 4.762 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 22 8.407 4.139 1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.148 4.754 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.275 3.815 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.866 2.941 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.553 2.795 1.808 1.00 0.00 H new ATOM 405 N GLN A 23 6.656 10.395 -1.550 1.00 0.00 N ATOM 406 CA GLN A 23 6.144 11.415 -2.461 1.00 0.00 C ATOM 407 C GLN A 23 6.845 12.751 -2.232 1.00 0.00 C ATOM 408 O GLN A 23 7.018 13.539 -3.162 1.00 0.00 O ATOM 409 CB GLN A 23 4.635 11.580 -2.279 1.00 0.00 C ATOM 410 CG GLN A 23 3.813 10.569 -3.065 1.00 0.00 C ATOM 411 CD GLN A 23 2.926 9.720 -2.176 1.00 0.00 C ATOM 412 OE1 GLN A 23 3.291 8.453 -2.012 1.00 0.00 O flip ATOM 413 NE2 GLN A 23 1.925 10.196 -1.641 1.00 0.00 N flip ATOM 0 H GLN A 23 5.943 9.952 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 23 6.346 11.089 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.393 11.488 -1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.348 12.586 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.195 11.096 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.484 9.920 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.681 11.175 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.339 9.612 -1.044 1.00 0.00 H new ATOM 422 N THR A 24 7.246 12.999 -0.990 1.00 0.00 N ATOM 423 CA THR A 24 7.928 14.239 -0.639 1.00 0.00 C ATOM 424 C THR A 24 9.401 13.983 -0.338 1.00 0.00 C ATOM 425 O THR A 24 10.014 14.695 0.457 1.00 0.00 O ATOM 426 CB THR A 24 7.254 14.892 0.568 1.00 0.00 C ATOM 427 OG1 THR A 24 7.494 14.140 1.744 1.00 0.00 O ATOM 428 CG2 THR A 24 5.756 15.037 0.412 1.00 0.00 C ATOM 0 H THR A 24 7.110 12.357 -0.209 1.00 0.00 H new ATOM 0 HA THR A 24 7.863 14.915 -1.492 1.00 0.00 H new ATOM 0 HB THR A 24 7.692 15.887 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.679 13.208 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.341 15.507 1.304 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.539 15.656 -0.459 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.307 14.053 0.279 1.00 0.00 H new ATOM 436 N SER A 25 9.963 12.961 -0.977 1.00 0.00 N ATOM 437 CA SER A 25 11.364 12.612 -0.776 1.00 0.00 C ATOM 438 C SER A 25 11.771 11.451 -1.679 1.00 0.00 C ATOM 439 O SER A 25 12.548 10.584 -1.280 1.00 0.00 O ATOM 440 CB SER A 25 11.616 12.248 0.688 1.00 0.00 C ATOM 441 OG SER A 25 10.829 11.137 1.081 1.00 0.00 O ATOM 0 H SER A 25 9.469 12.361 -1.638 1.00 0.00 H new ATOM 0 HA SER A 25 11.970 13.480 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.672 12.019 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.386 13.103 1.323 1.00 0.00 H new ATOM 0 HG SER A 25 9.931 11.443 1.327 1.00 0.00 H new ATOM 447 N GLY A 26 11.240 11.441 -2.898 1.00 0.00 N ATOM 448 CA GLY A 26 11.560 10.382 -3.837 1.00 0.00 C ATOM 449 C GLY A 26 10.365 9.505 -4.154 1.00 0.00 C ATOM 450 O GLY A 26 10.393 8.297 -3.917 1.00 0.00 O ATOM 0 H GLY A 26 10.594 12.147 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.939 10.822 -4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.360 9.766 -3.426 1.00 0.00 H new ATOM 454 N GLY A 27 9.312 10.114 -4.692 1.00 0.00 N ATOM 455 CA GLY A 27 8.118 9.364 -5.033 1.00 0.00 C ATOM 456 C GLY A 27 8.131 8.874 -6.470 1.00 0.00 C ATOM 457 O GLY A 27 8.350 7.690 -6.715 1.00 0.00 O ATOM 0 H GLY A 27 9.265 11.112 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.025 8.510 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.241 9.991 -4.874 1.00 0.00 H new ATOM 461 N PRO A 28 7.896 9.780 -7.442 1.00 0.00 N ATOM 462 CA PRO A 28 7.873 9.480 -8.867 1.00 0.00 C ATOM 463 C PRO A 28 8.667 8.241 -9.264 1.00 0.00 C ATOM 464 O PRO A 28 9.813 8.336 -9.705 1.00 0.00 O ATOM 465 CB PRO A 28 8.507 10.739 -9.458 1.00 0.00 C ATOM 466 CG PRO A 28 8.196 11.842 -8.486 1.00 0.00 C ATOM 467 CD PRO A 28 7.623 11.202 -7.240 1.00 0.00 C ATOM 0 HA PRO A 28 6.867 9.251 -9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.583 10.616 -9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.097 10.958 -10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.097 12.408 -8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.484 12.545 -8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.101 11.580 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.555 11.397 -7.141 1.00 0.00 H new ATOM 475 N VAL A 29 8.037 7.081 -9.125 1.00 0.00 N ATOM 476 CA VAL A 29 8.664 5.821 -9.490 1.00 0.00 C ATOM 477 C VAL A 29 8.755 5.716 -11.007 1.00 0.00 C ATOM 478 O VAL A 29 8.077 4.897 -11.627 1.00 0.00 O ATOM 479 CB VAL A 29 7.863 4.624 -8.941 1.00 0.00 C ATOM 480 CG1 VAL A 29 6.428 4.664 -9.447 1.00 0.00 C ATOM 481 CG2 VAL A 29 8.533 3.310 -9.315 1.00 0.00 C ATOM 0 H VAL A 29 7.089 6.989 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 29 9.663 5.797 -9.054 1.00 0.00 H new ATOM 0 HB VAL A 29 7.843 4.695 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.878 3.811 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.952 5.588 -9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.425 4.621 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.951 2.479 -8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.590 3.227 -10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.539 3.282 -8.896 1.00 0.00 H new ATOM 491 N ASP A 30 9.575 6.575 -11.605 1.00 0.00 N ATOM 492 CA ASP A 30 9.722 6.600 -13.054 1.00 0.00 C ATOM 493 C ASP A 30 8.397 7.001 -13.691 1.00 0.00 C ATOM 494 O ASP A 30 8.064 6.571 -14.795 1.00 0.00 O ATOM 495 CB ASP A 30 10.168 5.231 -13.575 1.00 0.00 C ATOM 496 CG ASP A 30 10.687 5.297 -14.998 1.00 0.00 C ATOM 497 OD1 ASP A 30 10.367 6.277 -15.703 1.00 0.00 O ATOM 498 OD2 ASP A 30 11.413 4.366 -15.408 1.00 0.00 O ATOM 0 H ASP A 30 10.145 7.260 -11.110 1.00 0.00 H new ATOM 0 HA ASP A 30 10.487 7.330 -13.320 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.947 4.834 -12.925 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.329 4.536 -13.529 1.00 0.00 H new ATOM 503 N ALA A 31 7.638 7.820 -12.966 1.00 0.00 N ATOM 504 CA ALA A 31 6.336 8.282 -13.426 1.00 0.00 C ATOM 505 C ALA A 31 6.220 9.797 -13.329 1.00 0.00 C ATOM 506 O ALA A 31 6.003 10.485 -14.326 1.00 0.00 O ATOM 507 CB ALA A 31 5.240 7.633 -12.595 1.00 0.00 C ATOM 0 H ALA A 31 7.908 8.178 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 31 6.226 7.998 -14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.267 7.981 -12.941 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.297 6.550 -12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.370 7.903 -11.547 1.00 0.00 H new ATOM 513 N GLY A 32 6.348 10.301 -12.108 1.00 0.00 N ATOM 514 CA GLY A 32 6.238 11.725 -11.868 1.00 0.00 C ATOM 515 C GLY A 32 5.376 12.011 -10.655 1.00 0.00 C ATOM 516 O GLY A 32 4.593 11.157 -10.245 1.00 0.00 O ATOM 0 H GLY A 32 6.528 9.742 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.231 12.149 -11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.811 12.212 -12.744 1.00 0.00 H new ATOM 520 N PRO A 33 5.493 13.202 -10.050 1.00 0.00 N ATOM 521 CA PRO A 33 4.701 13.559 -8.870 1.00 0.00 C ATOM 522 C PRO A 33 3.216 13.682 -9.188 1.00 0.00 C ATOM 523 O PRO A 33 2.648 14.774 -9.138 1.00 0.00 O ATOM 524 CB PRO A 33 5.277 14.911 -8.445 1.00 0.00 C ATOM 525 CG PRO A 33 5.899 15.469 -9.679 1.00 0.00 C ATOM 526 CD PRO A 33 6.402 14.286 -10.459 1.00 0.00 C ATOM 0 HA PRO A 33 4.762 12.798 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.497 15.570 -8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.013 14.794 -7.650 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.173 16.039 -10.259 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.714 16.149 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.358 14.464 -11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.439 14.055 -10.216 1.00 0.00 H new ATOM 534 N GLU A 34 2.587 12.553 -9.503 1.00 0.00 N ATOM 535 CA GLU A 34 1.165 12.533 -9.814 1.00 0.00 C ATOM 536 C GLU A 34 0.714 11.141 -10.241 1.00 0.00 C ATOM 537 O GLU A 34 0.518 10.869 -11.426 1.00 0.00 O ATOM 538 CB GLU A 34 0.831 13.556 -10.904 1.00 0.00 C ATOM 539 CG GLU A 34 0.196 14.830 -10.369 1.00 0.00 C ATOM 540 CD GLU A 34 -0.965 15.305 -11.220 1.00 0.00 C ATOM 541 OE1 GLU A 34 -1.706 14.448 -11.745 1.00 0.00 O ATOM 542 OE2 GLU A 34 -1.133 16.534 -11.361 1.00 0.00 O ATOM 0 H GLU A 34 3.042 11.641 -9.549 1.00 0.00 H new ATOM 0 HA GLU A 34 0.625 12.803 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.744 13.813 -11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.154 13.098 -11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.152 14.658 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.951 15.615 -10.320 1.00 0.00 H new ATOM 549 N TYR A 35 0.569 10.267 -9.258 1.00 0.00 N ATOM 550 CA TYR A 35 0.160 8.886 -9.493 1.00 0.00 C ATOM 551 C TYR A 35 0.092 8.123 -8.170 1.00 0.00 C ATOM 552 O TYR A 35 0.306 6.912 -8.136 1.00 0.00 O ATOM 553 CB TYR A 35 1.181 8.201 -10.389 1.00 0.00 C ATOM 554 CG TYR A 35 2.466 8.006 -9.645 1.00 0.00 C ATOM 555 CD1 TYR A 35 3.175 9.104 -9.208 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.931 6.746 -9.322 1.00 0.00 C ATOM 557 CE1 TYR A 35 4.321 8.967 -8.473 1.00 0.00 C ATOM 558 CE2 TYR A 35 4.085 6.588 -8.589 1.00 0.00 C ATOM 559 CZ TYR A 35 4.781 7.703 -8.161 1.00 0.00 C ATOM 560 OH TYR A 35 5.930 7.554 -7.422 1.00 0.00 O ATOM 0 H TYR A 35 0.730 10.491 -8.276 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.822 8.889 -9.967 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.795 7.238 -10.724 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.355 8.802 -11.281 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.818 10.094 -9.451 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.383 5.875 -9.648 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.861 9.841 -8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.445 5.598 -8.349 1.00 0.00 H new ATOM 0 HH TYR A 35 5.987 6.634 -7.088 1.00 0.00 H new ATOM 570 N GLN A 36 -0.179 8.834 -7.079 1.00 0.00 N ATOM 571 CA GLN A 36 -0.249 8.219 -5.754 1.00 0.00 C ATOM 572 C GLN A 36 -1.128 6.968 -5.749 1.00 0.00 C ATOM 573 O GLN A 36 -1.103 6.188 -4.797 1.00 0.00 O ATOM 574 CB GLN A 36 -0.777 9.227 -4.731 1.00 0.00 C ATOM 575 CG GLN A 36 0.109 10.452 -4.572 1.00 0.00 C ATOM 576 CD GLN A 36 -0.412 11.652 -5.340 1.00 0.00 C ATOM 577 OE1 GLN A 36 -1.438 12.232 -4.985 1.00 0.00 O ATOM 578 NE2 GLN A 36 0.295 12.029 -6.399 1.00 0.00 N ATOM 0 H GLN A 36 -0.354 9.839 -7.085 1.00 0.00 H new ATOM 0 HA GLN A 36 0.762 7.916 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.775 9.547 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.877 8.733 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.184 10.707 -3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.116 10.215 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.140 11.518 -6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.007 12.829 -6.955 1.00 0.00 H new ATOM 587 N GLN A 37 -1.898 6.779 -6.812 1.00 0.00 N ATOM 588 CA GLN A 37 -2.774 5.618 -6.922 1.00 0.00 C ATOM 589 C GLN A 37 -2.070 4.467 -7.635 1.00 0.00 C ATOM 590 O GLN A 37 -2.470 3.309 -7.504 1.00 0.00 O ATOM 591 CB GLN A 37 -4.058 5.989 -7.669 1.00 0.00 C ATOM 592 CG GLN A 37 -3.823 6.410 -9.110 1.00 0.00 C ATOM 593 CD GLN A 37 -4.959 6.003 -10.028 1.00 0.00 C ATOM 594 OE1 GLN A 37 -5.849 5.249 -9.636 1.00 0.00 O ATOM 595 NE2 GLN A 37 -4.932 6.500 -11.259 1.00 0.00 N ATOM 0 H GLN A 37 -1.935 7.413 -7.610 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.030 5.292 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.736 5.136 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.555 6.801 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.696 7.492 -9.153 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.894 5.966 -9.468 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.174 7.122 -11.541 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.669 6.260 -11.922 1.00 0.00 H new ATOM 604 N ASP A 38 -1.018 4.787 -8.382 1.00 0.00 N ATOM 605 CA ASP A 38 -0.259 3.777 -9.104 1.00 0.00 C ATOM 606 C ASP A 38 0.781 3.138 -8.191 1.00 0.00 C ATOM 607 O ASP A 38 1.146 1.975 -8.367 1.00 0.00 O ATOM 608 CB ASP A 38 0.417 4.397 -10.328 1.00 0.00 C ATOM 609 CG ASP A 38 -0.073 3.792 -11.630 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.525 2.793 -12.083 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.056 4.315 -12.195 1.00 0.00 O ATOM 0 H ASP A 38 -0.673 5.739 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.947 3.001 -9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.231 5.471 -10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.496 4.261 -10.251 1.00 0.00 H new ATOM 616 N LEU A 39 1.251 3.902 -7.208 1.00 0.00 N ATOM 617 CA LEU A 39 2.241 3.404 -6.264 1.00 0.00 C ATOM 618 C LEU A 39 1.611 2.381 -5.325 1.00 0.00 C ATOM 619 O LEU A 39 2.264 1.428 -4.899 1.00 0.00 O ATOM 620 CB LEU A 39 2.845 4.559 -5.457 1.00 0.00 C ATOM 621 CG LEU A 39 1.916 5.192 -4.417 1.00 0.00 C ATOM 622 CD1 LEU A 39 1.885 4.359 -3.143 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.354 6.617 -4.113 1.00 0.00 C ATOM 0 H LEU A 39 0.961 4.867 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 39 3.039 2.920 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.738 4.196 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.167 5.335 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 39 0.907 5.220 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.219 4.827 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.524 3.356 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.890 4.296 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.684 7.053 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.371 6.609 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.321 7.211 -5.027 1.00 0.00 H new ATOM 635 N ASP A 40 0.335 2.585 -5.012 1.00 0.00 N ATOM 636 CA ASP A 40 -0.388 1.679 -4.128 1.00 0.00 C ATOM 637 C ASP A 40 -0.504 0.293 -4.754 1.00 0.00 C ATOM 638 O ASP A 40 -0.614 -0.711 -4.051 1.00 0.00 O ATOM 639 CB ASP A 40 -1.780 2.233 -3.821 1.00 0.00 C ATOM 640 CG ASP A 40 -2.508 1.416 -2.771 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.182 0.433 -3.146 1.00 0.00 O ATOM 642 OD2 ASP A 40 -2.406 1.759 -1.575 1.00 0.00 O ATOM 0 H ASP A 40 -0.219 3.369 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 40 0.172 1.593 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.690 3.264 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.371 2.252 -4.737 1.00 0.00 H new ATOM 647 N ARG A 41 -0.474 0.244 -6.082 1.00 0.00 N ATOM 648 CA ARG A 41 -0.571 -1.018 -6.804 1.00 0.00 C ATOM 649 C ARG A 41 0.611 -1.921 -6.460 1.00 0.00 C ATOM 650 O ARG A 41 0.462 -3.139 -6.349 1.00 0.00 O ATOM 651 CB ARG A 41 -0.628 -0.755 -8.313 1.00 0.00 C ATOM 652 CG ARG A 41 -0.332 -1.977 -9.171 1.00 0.00 C ATOM 653 CD ARG A 41 1.041 -1.883 -9.816 1.00 0.00 C ATOM 654 NE ARG A 41 1.045 -2.416 -11.177 1.00 0.00 N ATOM 655 CZ ARG A 41 0.372 -1.872 -12.188 1.00 0.00 C ATOM 656 NH1 ARG A 41 -0.360 -0.780 -11.997 1.00 0.00 N ATOM 657 NH2 ARG A 41 0.430 -2.420 -13.394 1.00 0.00 N ATOM 0 H ARG A 41 -0.383 1.065 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.487 -1.527 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.618 -0.378 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.086 0.031 -8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.386 -2.876 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.093 -2.073 -9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.363 -0.842 -9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.764 -2.430 -9.211 1.00 0.00 H new ATOM 0 HE ARG A 41 1.596 -3.254 -11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.408 -0.354 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.874 -0.368 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.990 -3.258 -13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.086 -2.003 -14.169 1.00 0.00 H new ATOM 671 N GLU A 42 1.782 -1.317 -6.288 1.00 0.00 N ATOM 672 CA GLU A 42 2.986 -2.069 -5.952 1.00 0.00 C ATOM 673 C GLU A 42 2.927 -2.558 -4.511 1.00 0.00 C ATOM 674 O GLU A 42 3.217 -3.721 -4.226 1.00 0.00 O ATOM 675 CB GLU A 42 4.232 -1.207 -6.163 1.00 0.00 C ATOM 676 CG GLU A 42 5.529 -1.903 -5.781 1.00 0.00 C ATOM 677 CD GLU A 42 5.952 -2.947 -6.795 1.00 0.00 C ATOM 678 OE1 GLU A 42 5.714 -2.732 -8.002 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.521 -3.979 -6.383 1.00 0.00 O ATOM 0 H GLU A 42 1.923 -0.311 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 42 3.043 -2.935 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.284 -0.910 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.134 -0.293 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.320 -1.159 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.409 -2.376 -4.806 1.00 0.00 H new ATOM 686 N LEU A 43 2.536 -1.669 -3.605 1.00 0.00 N ATOM 687 CA LEU A 43 2.428 -2.020 -2.197 1.00 0.00 C ATOM 688 C LEU A 43 1.249 -2.956 -1.983 1.00 0.00 C ATOM 689 O LEU A 43 1.260 -3.791 -1.084 1.00 0.00 O ATOM 690 CB LEU A 43 2.275 -0.761 -1.337 1.00 0.00 C ATOM 691 CG LEU A 43 1.038 0.083 -1.622 1.00 0.00 C ATOM 692 CD1 LEU A 43 -0.213 -0.571 -1.054 1.00 0.00 C ATOM 693 CD2 LEU A 43 1.216 1.487 -1.055 1.00 0.00 C ATOM 0 H LEU A 43 2.290 -0.703 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 43 3.342 -2.530 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.257 -1.059 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.158 -0.138 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 43 0.915 0.156 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.080 0.052 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.348 -1.553 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.108 -0.682 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.326 2.080 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.366 1.428 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.083 1.959 -1.517 1.00 0.00 H new ATOM 705 N PHE A 44 0.238 -2.821 -2.829 1.00 0.00 N ATOM 706 CA PHE A 44 -0.940 -3.667 -2.743 1.00 0.00 C ATOM 707 C PHE A 44 -0.600 -5.090 -3.182 1.00 0.00 C ATOM 708 O PHE A 44 -1.323 -6.037 -2.870 1.00 0.00 O ATOM 709 CB PHE A 44 -2.065 -3.084 -3.607 1.00 0.00 C ATOM 710 CG PHE A 44 -3.155 -4.061 -3.940 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.914 -4.642 -2.937 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.418 -4.395 -5.257 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.919 -5.541 -3.245 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.420 -5.292 -5.571 1.00 0.00 C ATOM 715 CZ PHE A 44 -5.171 -5.867 -4.564 1.00 0.00 C ATOM 0 H PHE A 44 0.211 -2.134 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.281 -3.702 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.503 -2.232 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.636 -2.705 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.719 -4.391 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.833 -3.949 -6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.506 -5.987 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.616 -5.544 -6.603 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.954 -6.570 -4.807 1.00 0.00 H new ATOM 725 N LYS A 45 0.511 -5.235 -3.903 1.00 0.00 N ATOM 726 CA LYS A 45 0.949 -6.540 -4.375 1.00 0.00 C ATOM 727 C LYS A 45 1.476 -7.389 -3.221 1.00 0.00 C ATOM 728 O LYS A 45 1.480 -8.617 -3.300 1.00 0.00 O ATOM 729 CB LYS A 45 2.030 -6.379 -5.449 1.00 0.00 C ATOM 730 CG LYS A 45 1.576 -6.808 -6.835 1.00 0.00 C ATOM 731 CD LYS A 45 2.639 -6.515 -7.883 1.00 0.00 C ATOM 732 CE LYS A 45 2.365 -5.205 -8.602 1.00 0.00 C ATOM 733 NZ LYS A 45 0.979 -5.146 -9.141 1.00 0.00 N ATOM 0 H LYS A 45 1.121 -4.463 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 45 0.090 -7.051 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.343 -5.336 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.904 -6.965 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.350 -7.874 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.654 -6.288 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.619 -6.472 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.672 -7.329 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.523 -4.374 -7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.077 -5.083 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.961 -4.541 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.664 -6.104 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.342 -4.751 -8.420 1.00 0.00 H new ATOM 747 N LEU A 46 1.922 -6.733 -2.150 1.00 0.00 N ATOM 748 CA LEU A 46 2.444 -7.446 -0.994 1.00 0.00 C ATOM 749 C LEU A 46 1.344 -8.253 -0.317 1.00 0.00 C ATOM 750 O LEU A 46 1.549 -9.409 0.055 1.00 0.00 O ATOM 751 CB LEU A 46 3.083 -6.468 0.002 1.00 0.00 C ATOM 752 CG LEU A 46 2.108 -5.595 0.801 1.00 0.00 C ATOM 753 CD1 LEU A 46 1.706 -6.277 2.100 1.00 0.00 C ATOM 754 CD2 LEU A 46 2.731 -4.236 1.088 1.00 0.00 C ATOM 0 H LEU A 46 1.931 -5.717 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 46 3.213 -8.137 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.689 -7.040 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.762 -5.814 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 46 1.209 -5.451 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.014 -5.637 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.222 -7.228 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.594 -6.455 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.028 -3.626 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.645 -4.370 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.966 -3.738 0.148 1.00 0.00 H new ATOM 766 N LYS A 47 0.172 -7.642 -0.166 1.00 0.00 N ATOM 767 CA LYS A 47 -0.957 -8.311 0.468 1.00 0.00 C ATOM 768 C LYS A 47 -1.255 -9.645 -0.209 1.00 0.00 C ATOM 769 O LYS A 47 -1.660 -10.607 0.443 1.00 0.00 O ATOM 770 CB LYS A 47 -2.197 -7.415 0.427 1.00 0.00 C ATOM 771 CG LYS A 47 -3.011 -7.443 1.711 1.00 0.00 C ATOM 772 CD LYS A 47 -2.395 -6.554 2.779 1.00 0.00 C ATOM 773 CE LYS A 47 -2.914 -5.128 2.683 1.00 0.00 C ATOM 774 NZ LYS A 47 -4.250 -4.979 3.324 1.00 0.00 N ATOM 0 H LYS A 47 -0.019 -6.688 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.692 -8.506 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.887 -6.390 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.832 -7.725 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.029 -7.114 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.075 -8.466 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.620 -6.959 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.310 -6.555 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.205 -4.451 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.979 -4.835 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.385 -3.991 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.992 -5.241 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.307 -5.600 4.156 1.00 0.00 H new ATOM 788 N GLN A 48 -1.048 -9.697 -1.521 1.00 0.00 N ATOM 789 CA GLN A 48 -1.292 -10.915 -2.284 1.00 0.00 C ATOM 790 C GLN A 48 -0.270 -11.987 -1.928 1.00 0.00 C ATOM 791 O GLN A 48 -0.580 -13.179 -1.924 1.00 0.00 O ATOM 792 CB GLN A 48 -1.243 -10.622 -3.784 1.00 0.00 C ATOM 793 CG GLN A 48 -2.586 -10.213 -4.368 1.00 0.00 C ATOM 794 CD GLN A 48 -2.477 -9.741 -5.806 1.00 0.00 C ATOM 795 OE1 GLN A 48 -2.579 -10.534 -6.741 1.00 0.00 O ATOM 796 NE2 GLN A 48 -2.268 -8.442 -5.987 1.00 0.00 N ATOM 0 H GLN A 48 -0.712 -8.911 -2.077 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.285 -11.284 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.519 -9.828 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.883 -11.508 -4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.272 -11.058 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.015 -9.417 -3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.190 -7.821 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.186 -8.065 -6.931 1.00 0.00 H new ATOM 805 N MET A 49 0.949 -11.555 -1.622 1.00 0.00 N ATOM 806 CA MET A 49 2.015 -12.480 -1.254 1.00 0.00 C ATOM 807 C MET A 49 1.869 -12.899 0.203 1.00 0.00 C ATOM 808 O MET A 49 2.174 -14.033 0.570 1.00 0.00 O ATOM 809 CB MET A 49 3.395 -11.847 -1.476 1.00 0.00 C ATOM 810 CG MET A 49 3.414 -10.756 -2.536 1.00 0.00 C ATOM 811 SD MET A 49 5.085 -10.296 -3.032 1.00 0.00 S ATOM 812 CE MET A 49 4.937 -8.511 -3.104 1.00 0.00 C ATOM 0 H MET A 49 1.223 -10.572 -1.621 1.00 0.00 H new ATOM 0 HA MET A 49 1.932 -13.360 -1.892 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.747 -11.429 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.100 -12.628 -1.761 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.860 -11.096 -3.411 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.897 -9.875 -2.154 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.729 -8.105 -3.734 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.967 -8.243 -3.523 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.025 -8.098 -2.099 1.00 0.00 H new ATOM 822 N TYR A 50 1.394 -11.971 1.026 1.00 0.00 N ATOM 823 CA TYR A 50 1.197 -12.236 2.444 1.00 0.00 C ATOM 824 C TYR A 50 -0.029 -13.117 2.663 1.00 0.00 C ATOM 825 O TYR A 50 -0.098 -13.873 3.632 1.00 0.00 O ATOM 826 CB TYR A 50 1.044 -10.922 3.212 1.00 0.00 C ATOM 827 CG TYR A 50 2.360 -10.236 3.502 1.00 0.00 C ATOM 828 CD1 TYR A 50 3.184 -10.684 4.526 1.00 0.00 C ATOM 829 CD2 TYR A 50 2.782 -9.146 2.749 1.00 0.00 C ATOM 830 CE1 TYR A 50 4.390 -10.064 4.794 1.00 0.00 C ATOM 831 CE2 TYR A 50 3.985 -8.524 3.011 1.00 0.00 C ATOM 832 CZ TYR A 50 4.785 -8.985 4.034 1.00 0.00 C ATOM 833 OH TYR A 50 5.986 -8.366 4.296 1.00 0.00 O ATOM 0 H TYR A 50 1.138 -11.028 0.734 1.00 0.00 H new ATOM 0 HA TYR A 50 2.074 -12.765 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.410 -10.246 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.530 -11.118 4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.878 -11.531 5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.158 -8.781 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.019 -10.423 5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.299 -7.679 2.417 1.00 0.00 H new ATOM 0 HH TYR A 50 6.722 -8.975 4.079 1.00 0.00 H new ATOM 843 N GLY A 51 -0.993 -13.019 1.751 1.00 0.00 N ATOM 844 CA GLY A 51 -2.198 -13.816 1.861 1.00 0.00 C ATOM 845 C GLY A 51 -1.965 -15.271 1.499 1.00 0.00 C ATOM 846 O GLY A 51 -2.681 -16.156 1.967 1.00 0.00 O ATOM 0 H GLY A 51 -0.959 -12.402 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.579 -13.755 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.966 -13.401 1.208 1.00 0.00 H new ATOM 850 N LYS A 52 -0.959 -15.517 0.665 1.00 0.00 N ATOM 851 CA LYS A 52 -0.634 -16.875 0.241 1.00 0.00 C ATOM 852 C LYS A 52 0.598 -17.396 0.976 1.00 0.00 C ATOM 853 O LYS A 52 0.743 -18.600 1.186 1.00 0.00 O ATOM 854 CB LYS A 52 -0.397 -16.916 -1.270 1.00 0.00 C ATOM 855 CG LYS A 52 -1.648 -17.234 -2.073 1.00 0.00 C ATOM 856 CD LYS A 52 -2.144 -18.644 -1.798 1.00 0.00 C ATOM 857 CE LYS A 52 -3.315 -18.644 -0.828 1.00 0.00 C ATOM 858 NZ LYS A 52 -3.238 -19.776 0.136 1.00 0.00 N ATOM 0 H LYS A 52 -0.356 -14.795 0.270 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.479 -17.518 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.002 -15.953 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.366 -17.663 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.431 -16.517 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.437 -17.123 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.446 -19.114 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.331 -19.243 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.333 -17.702 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.249 -18.706 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.054 -19.740 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.247 -20.676 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.359 -19.703 0.687 1.00 0.00 H new ATOM 872 N ALA A 53 1.483 -16.482 1.364 1.00 0.00 N ATOM 873 CA ALA A 53 2.702 -16.853 2.073 1.00 0.00 C ATOM 874 C ALA A 53 2.382 -17.547 3.394 1.00 0.00 C ATOM 875 O ALA A 53 2.417 -18.774 3.484 1.00 0.00 O ATOM 876 CB ALA A 53 3.567 -15.625 2.311 1.00 0.00 C ATOM 0 H ALA A 53 1.378 -15.481 1.199 1.00 0.00 H new ATOM 0 HA ALA A 53 3.255 -17.557 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.474 -15.916 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.834 -15.177 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.014 -14.901 2.909 1.00 0.00 H new ATOM 882 N ASP A 54 2.073 -16.754 4.417 1.00 0.00 N ATOM 883 CA ASP A 54 1.748 -17.295 5.736 1.00 0.00 C ATOM 884 C ASP A 54 1.568 -16.173 6.755 1.00 0.00 C ATOM 885 O ASP A 54 0.741 -16.274 7.663 1.00 0.00 O ATOM 886 CB ASP A 54 2.845 -18.256 6.205 1.00 0.00 C ATOM 887 CG ASP A 54 2.423 -19.709 6.103 1.00 0.00 C ATOM 888 OD1 ASP A 54 1.420 -19.990 5.415 1.00 0.00 O ATOM 889 OD2 ASP A 54 3.098 -20.567 6.710 1.00 0.00 O ATOM 0 H ASP A 54 2.041 -15.736 4.359 1.00 0.00 H new ATOM 0 HA ASP A 54 0.809 -17.842 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.742 -18.098 5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.107 -18.028 7.238 1.00 0.00 H new ATOM 894 N MET A 55 2.348 -15.107 6.603 1.00 0.00 N ATOM 895 CA MET A 55 2.279 -13.966 7.512 1.00 0.00 C ATOM 896 C MET A 55 2.837 -14.331 8.885 1.00 0.00 C ATOM 897 O MET A 55 2.105 -14.361 9.876 1.00 0.00 O ATOM 898 CB MET A 55 0.836 -13.472 7.646 1.00 0.00 C ATOM 899 CG MET A 55 0.098 -13.379 6.320 1.00 0.00 C ATOM 900 SD MET A 55 -1.655 -13.011 6.527 1.00 0.00 S ATOM 901 CE MET A 55 -1.868 -11.695 5.332 1.00 0.00 C ATOM 0 H MET A 55 3.037 -15.009 5.857 1.00 0.00 H new ATOM 0 HA MET A 55 2.887 -13.164 7.093 1.00 0.00 H new ATOM 0 HB2 MET A 55 0.291 -14.144 8.309 1.00 0.00 H new ATOM 0 HB3 MET A 55 0.840 -12.490 8.120 1.00 0.00 H new ATOM 0 HG2 MET A 55 0.558 -12.605 5.706 1.00 0.00 H new ATOM 0 HG3 MET A 55 0.207 -14.320 5.781 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.850 -11.240 5.463 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.096 -10.940 5.480 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.788 -12.102 4.324 1.00 0.00 H new ATOM 911 N ASN A 56 4.136 -14.608 8.935 1.00 0.00 N ATOM 912 CA ASN A 56 4.793 -14.970 10.186 1.00 0.00 C ATOM 913 C ASN A 56 6.308 -15.003 10.014 1.00 0.00 C ATOM 914 O ASN A 56 6.995 -15.821 10.624 1.00 0.00 O ATOM 915 CB ASN A 56 4.292 -16.332 10.673 1.00 0.00 C ATOM 916 CG ASN A 56 3.121 -16.209 11.629 1.00 0.00 C ATOM 917 OD1 ASN A 56 2.014 -16.657 11.335 1.00 0.00 O ATOM 918 ND2 ASN A 56 3.363 -15.598 12.784 1.00 0.00 N ATOM 0 H ASN A 56 4.754 -14.589 8.124 1.00 0.00 H new ATOM 0 HA ASN A 56 4.547 -14.213 10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.995 -16.935 9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.107 -16.860 11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.615 -15.486 13.468 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.297 -15.241 12.986 1.00 0.00 H new ATOM 925 N THR A 57 6.823 -14.107 9.178 1.00 0.00 N ATOM 926 CA THR A 57 8.258 -14.033 8.926 1.00 0.00 C ATOM 927 C THR A 57 8.735 -12.585 8.913 1.00 0.00 C ATOM 928 O THR A 57 9.695 -12.231 9.598 1.00 0.00 O ATOM 929 CB THR A 57 8.597 -14.706 7.595 1.00 0.00 C ATOM 930 OG1 THR A 57 9.931 -14.417 7.213 1.00 0.00 O ATOM 931 CG2 THR A 57 7.691 -14.279 6.461 1.00 0.00 C ATOM 0 H THR A 57 6.269 -13.422 8.664 1.00 0.00 H new ATOM 0 HA THR A 57 8.771 -14.557 9.732 1.00 0.00 H new ATOM 0 HB THR A 57 8.458 -15.773 7.767 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.130 -14.857 6.360 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.986 -14.793 5.546 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.659 -14.534 6.704 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.774 -13.202 6.315 1.00 0.00 H new ATOM 939 N PHE A 58 8.059 -11.750 8.130 1.00 0.00 N ATOM 940 CA PHE A 58 8.415 -10.339 8.027 1.00 0.00 C ATOM 941 C PHE A 58 8.327 -9.655 9.390 1.00 0.00 C ATOM 942 O PHE A 58 7.573 -10.085 10.262 1.00 0.00 O ATOM 943 CB PHE A 58 7.498 -9.632 7.028 1.00 0.00 C ATOM 944 CG PHE A 58 7.964 -9.741 5.605 1.00 0.00 C ATOM 945 CD1 PHE A 58 8.920 -8.870 5.107 1.00 0.00 C ATOM 946 CD2 PHE A 58 7.447 -10.715 4.765 1.00 0.00 C ATOM 947 CE1 PHE A 58 9.352 -8.968 3.798 1.00 0.00 C ATOM 948 CE2 PHE A 58 7.875 -10.817 3.455 1.00 0.00 C ATOM 949 CZ PHE A 58 8.828 -9.943 2.971 1.00 0.00 C ATOM 0 H PHE A 58 7.261 -12.026 7.557 1.00 0.00 H new ATOM 0 HA PHE A 58 9.444 -10.274 7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.496 -10.053 7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.424 -8.579 7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.332 -8.106 5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.702 -11.402 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.098 -8.284 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.464 -11.580 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.163 -10.021 1.947 1.00 0.00 H new ATOM 959 N PRO A 59 9.105 -8.579 9.592 1.00 0.00 N ATOM 960 CA PRO A 59 9.116 -7.837 10.855 1.00 0.00 C ATOM 961 C PRO A 59 7.923 -6.895 10.995 1.00 0.00 C ATOM 962 O PRO A 59 8.088 -5.699 11.232 1.00 0.00 O ATOM 963 CB PRO A 59 10.417 -7.041 10.771 1.00 0.00 C ATOM 964 CG PRO A 59 10.611 -6.800 9.313 1.00 0.00 C ATOM 965 CD PRO A 59 10.040 -8.001 8.606 1.00 0.00 C ATOM 0 HA PRO A 59 9.050 -8.498 11.719 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.346 -6.104 11.323 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.252 -7.598 11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.105 -5.887 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.668 -6.676 9.077 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.527 -7.718 7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.820 -8.711 8.330 1.00 0.00 H new ATOM 973 N ASN A 60 6.719 -7.443 10.850 1.00 0.00 N ATOM 974 CA ASN A 60 5.497 -6.652 10.963 1.00 0.00 C ATOM 975 C ASN A 60 5.538 -5.439 10.038 1.00 0.00 C ATOM 976 O ASN A 60 5.102 -4.349 10.409 1.00 0.00 O ATOM 977 CB ASN A 60 5.293 -6.199 12.410 1.00 0.00 C ATOM 978 CG ASN A 60 4.845 -7.331 13.313 1.00 0.00 C ATOM 979 OD1 ASN A 60 3.664 -7.452 13.637 1.00 0.00 O ATOM 980 ND2 ASN A 60 5.790 -8.168 13.727 1.00 0.00 N ATOM 0 H ASN A 60 6.564 -8.432 10.654 1.00 0.00 H new ATOM 0 HA ASN A 60 4.660 -7.282 10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.224 -5.781 12.791 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.551 -5.401 12.437 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.548 -8.948 14.338 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.757 -8.030 13.434 1.00 0.00 H new ATOM 987 N PHE A 61 6.065 -5.635 8.833 1.00 0.00 N ATOM 988 CA PHE A 61 6.162 -4.557 7.858 1.00 0.00 C ATOM 989 C PHE A 61 7.041 -3.426 8.385 1.00 0.00 C ATOM 990 O PHE A 61 6.590 -2.588 9.166 1.00 0.00 O ATOM 991 CB PHE A 61 4.767 -4.024 7.514 1.00 0.00 C ATOM 992 CG PHE A 61 4.777 -2.819 6.611 1.00 0.00 C ATOM 993 CD1 PHE A 61 5.760 -2.663 5.645 1.00 0.00 C ATOM 994 CD2 PHE A 61 3.800 -1.844 6.730 1.00 0.00 C ATOM 995 CE1 PHE A 61 5.767 -1.557 4.817 1.00 0.00 C ATOM 996 CE2 PHE A 61 3.802 -0.735 5.905 1.00 0.00 C ATOM 997 CZ PHE A 61 4.788 -0.591 4.947 1.00 0.00 C ATOM 0 H PHE A 61 6.431 -6.531 8.510 1.00 0.00 H new ATOM 0 HA PHE A 61 6.621 -4.956 6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.193 -4.818 7.036 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.249 -3.768 8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.528 -3.414 5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.027 -1.952 7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.538 -1.448 4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.035 0.018 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.793 0.275 4.302 1.00 0.00 H new ATOM 1007 N THR A 62 8.298 -3.412 7.954 1.00 0.00 N ATOM 1008 CA THR A 62 9.241 -2.386 8.383 1.00 0.00 C ATOM 1009 C THR A 62 10.257 -2.087 7.280 1.00 0.00 C ATOM 1010 O THR A 62 11.454 -1.956 7.537 1.00 0.00 O ATOM 1011 CB THR A 62 9.942 -2.823 9.678 1.00 0.00 C ATOM 1012 OG1 THR A 62 10.354 -1.698 10.428 1.00 0.00 O ATOM 1013 CG2 THR A 62 11.160 -3.698 9.462 1.00 0.00 C ATOM 0 H THR A 62 8.687 -4.099 7.308 1.00 0.00 H new ATOM 0 HA THR A 62 8.691 -1.466 8.583 1.00 0.00 H new ATOM 0 HB THR A 62 9.195 -3.411 10.210 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.608 -1.067 10.508 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.595 -3.961 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.867 -4.607 8.936 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.896 -3.157 8.868 1.00 0.00 H new ATOM 1021 N PHE A 63 9.768 -1.971 6.050 1.00 0.00 N ATOM 1022 CA PHE A 63 10.627 -1.681 4.905 1.00 0.00 C ATOM 1023 C PHE A 63 11.075 -0.223 4.919 1.00 0.00 C ATOM 1024 O PHE A 63 10.855 0.518 3.961 1.00 0.00 O ATOM 1025 CB PHE A 63 9.893 -1.992 3.599 1.00 0.00 C ATOM 1026 CG PHE A 63 9.173 -3.311 3.608 1.00 0.00 C ATOM 1027 CD1 PHE A 63 9.777 -4.440 4.138 1.00 0.00 C ATOM 1028 CD2 PHE A 63 7.894 -3.421 3.087 1.00 0.00 C ATOM 1029 CE1 PHE A 63 9.118 -5.655 4.148 1.00 0.00 C ATOM 1030 CE2 PHE A 63 7.230 -4.633 3.094 1.00 0.00 C ATOM 1031 CZ PHE A 63 7.843 -5.750 3.625 1.00 0.00 C ATOM 0 H PHE A 63 8.780 -2.073 5.819 1.00 0.00 H new ATOM 0 HA PHE A 63 11.512 -2.314 4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.174 -1.197 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.611 -1.986 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 63 10.774 -4.370 4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.410 -2.550 2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.599 -6.528 4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.233 -4.706 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.326 -6.698 3.632 1.00 0.00 H new ATOM 1041 N GLU A 64 11.705 0.180 6.017 1.00 0.00 N ATOM 1042 CA GLU A 64 12.188 1.547 6.166 1.00 0.00 C ATOM 1043 C GLU A 64 12.890 1.732 7.508 1.00 0.00 C ATOM 1044 O GLU A 64 13.876 2.463 7.608 1.00 0.00 O ATOM 1045 CB GLU A 64 11.027 2.538 6.046 1.00 0.00 C ATOM 1046 CG GLU A 64 9.847 2.203 6.943 1.00 0.00 C ATOM 1047 CD GLU A 64 8.864 3.351 7.064 1.00 0.00 C ATOM 1048 OE1 GLU A 64 8.867 4.232 6.178 1.00 0.00 O ATOM 1049 OE2 GLU A 64 8.091 3.371 8.045 1.00 0.00 O ATOM 0 H GLU A 64 11.893 -0.422 6.818 1.00 0.00 H new ATOM 0 HA GLU A 64 12.906 1.740 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.387 3.538 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.689 2.565 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.331 1.328 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.213 1.936 7.935 1.00 0.00 H new ATOM 1056 N ASP A 65 12.376 1.067 8.541 1.00 0.00 N ATOM 1057 CA ASP A 65 12.956 1.163 9.877 1.00 0.00 C ATOM 1058 C ASP A 65 14.439 0.789 9.875 1.00 0.00 C ATOM 1059 O ASP A 65 15.260 1.484 10.474 1.00 0.00 O ATOM 1060 CB ASP A 65 12.195 0.270 10.855 1.00 0.00 C ATOM 1061 CG ASP A 65 12.354 0.723 12.293 1.00 0.00 C ATOM 1062 OD1 ASP A 65 11.647 1.668 12.700 1.00 0.00 O ATOM 1063 OD2 ASP A 65 13.188 0.133 13.013 1.00 0.00 O ATOM 0 H ASP A 65 11.561 0.457 8.478 1.00 0.00 H new ATOM 0 HA ASP A 65 12.870 2.201 10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.137 0.267 10.593 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.550 -0.756 10.758 1.00 0.00 H new ATOM 1068 N PRO A 66 14.807 -0.320 9.206 1.00 0.00 N ATOM 1069 CA PRO A 66 16.201 -0.783 9.137 1.00 0.00 C ATOM 1070 C PRO A 66 17.146 0.293 8.643 1.00 0.00 C ATOM 1071 O PRO A 66 18.349 0.236 8.896 1.00 0.00 O ATOM 1072 CB PRO A 66 16.136 -1.939 8.147 1.00 0.00 C ATOM 1073 CG PRO A 66 14.752 -2.441 8.296 1.00 0.00 C ATOM 1074 CD PRO A 66 13.907 -1.217 8.467 1.00 0.00 C ATOM 0 HA PRO A 66 16.588 -1.064 10.117 1.00 0.00 H new ATOM 0 HB2 PRO A 66 16.335 -1.607 7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.870 -2.710 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.444 -3.013 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.664 -3.104 9.157 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.606 -0.793 7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.994 -1.427 9.024 1.00 0.00 H new ATOM 1082 N LYS A 67 16.596 1.295 7.966 1.00 0.00 N ATOM 1083 CA LYS A 67 17.404 2.399 7.478 1.00 0.00 C ATOM 1084 C LYS A 67 18.119 3.075 8.647 1.00 0.00 C ATOM 1085 O LYS A 67 18.990 3.921 8.448 1.00 0.00 O ATOM 1086 CB LYS A 67 16.532 3.414 6.737 1.00 0.00 C ATOM 1087 CG LYS A 67 15.863 2.848 5.493 1.00 0.00 C ATOM 1088 CD LYS A 67 16.275 3.605 4.241 1.00 0.00 C ATOM 1089 CE LYS A 67 15.209 4.603 3.816 1.00 0.00 C ATOM 1090 NZ LYS A 67 15.475 5.157 2.461 1.00 0.00 N ATOM 0 H LYS A 67 15.602 1.363 7.746 1.00 0.00 H new ATOM 0 HA LYS A 67 18.147 2.009 6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.764 3.785 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.146 4.269 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.126 1.796 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.780 2.896 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.213 4.129 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.457 2.899 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.233 4.117 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.166 5.418 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.726 5.833 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.395 5.643 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.491 4.383 1.767 1.00 0.00 H new ATOM 1104 N PHE A 68 17.748 2.684 9.871 1.00 0.00 N ATOM 1105 CA PHE A 68 18.363 3.248 11.069 1.00 0.00 C ATOM 1106 C PHE A 68 18.291 2.268 12.237 1.00 0.00 C ATOM 1107 O PHE A 68 19.248 2.124 12.998 1.00 0.00 O ATOM 1108 CB PHE A 68 17.698 4.573 11.457 1.00 0.00 C ATOM 1109 CG PHE A 68 16.282 4.719 10.974 1.00 0.00 C ATOM 1110 CD1 PHE A 68 15.257 3.999 11.566 1.00 0.00 C ATOM 1111 CD2 PHE A 68 15.977 5.583 9.935 1.00 0.00 C ATOM 1112 CE1 PHE A 68 13.954 4.138 11.129 1.00 0.00 C ATOM 1113 CE2 PHE A 68 14.676 5.725 9.493 1.00 0.00 C ATOM 1114 CZ PHE A 68 13.663 5.002 10.091 1.00 0.00 C ATOM 0 H PHE A 68 17.029 1.984 10.054 1.00 0.00 H new ATOM 0 HA PHE A 68 19.411 3.438 10.839 1.00 0.00 H new ATOM 0 HB2 PHE A 68 17.711 4.668 12.543 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.292 5.395 11.058 1.00 0.00 H new ATOM 0 HD1 PHE A 68 15.479 3.322 12.378 1.00 0.00 H new ATOM 0 HD2 PHE A 68 16.765 6.152 9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.163 3.572 11.598 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.451 6.401 8.681 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.645 5.112 9.748 1.00 0.00 H new ATOM 1124 N GLU A 69 17.152 1.596 12.375 1.00 0.00 N ATOM 1125 CA GLU A 69 16.957 0.629 13.451 1.00 0.00 C ATOM 1126 C GLU A 69 16.923 1.322 14.811 1.00 0.00 C ATOM 1127 O GLU A 69 17.693 0.984 15.712 1.00 0.00 O ATOM 1128 CB GLU A 69 18.067 -0.427 13.428 1.00 0.00 C ATOM 1129 CG GLU A 69 17.771 -1.640 14.294 1.00 0.00 C ATOM 1130 CD GLU A 69 18.996 -2.141 15.033 1.00 0.00 C ATOM 1131 OE1 GLU A 69 19.839 -1.305 15.421 1.00 0.00 O ATOM 1132 OE2 GLU A 69 19.113 -3.370 15.224 1.00 0.00 O ATOM 0 H GLU A 69 16.349 1.703 11.755 1.00 0.00 H new ATOM 0 HA GLU A 69 15.997 0.138 13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.224 -0.754 12.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.998 0.030 13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.994 -1.386 15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.376 -2.441 13.669 1.00 0.00 H new ATOM 1139 N VAL A 70 16.022 2.290 14.954 1.00 0.00 N ATOM 1140 CA VAL A 70 15.879 3.032 16.204 1.00 0.00 C ATOM 1141 C VAL A 70 17.021 4.024 16.393 1.00 0.00 C ATOM 1142 O VAL A 70 17.838 3.884 17.302 1.00 0.00 O ATOM 1143 CB VAL A 70 15.821 2.089 17.425 1.00 0.00 C ATOM 1144 CG1 VAL A 70 15.352 2.844 18.660 1.00 0.00 C ATOM 1145 CG2 VAL A 70 14.914 0.901 17.142 1.00 0.00 C ATOM 0 H VAL A 70 15.378 2.580 14.218 1.00 0.00 H new ATOM 0 HA VAL A 70 14.937 3.577 16.135 1.00 0.00 H new ATOM 0 HB VAL A 70 16.825 1.711 17.616 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.317 2.164 19.511 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.045 3.658 18.874 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.357 3.252 18.481 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.886 0.248 18.015 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.907 1.256 16.923 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.298 0.346 16.286 1.00 0.00 H new ATOM 1155 N VAL A 71 17.068 5.032 15.528 1.00 0.00 N ATOM 1156 CA VAL A 71 18.105 6.053 15.600 1.00 0.00 C ATOM 1157 C VAL A 71 17.568 7.336 16.227 1.00 0.00 C ATOM 1158 O VAL A 71 18.007 8.436 15.892 1.00 0.00 O ATOM 1159 CB VAL A 71 18.685 6.371 14.206 1.00 0.00 C ATOM 1160 CG1 VAL A 71 17.627 6.998 13.310 1.00 0.00 C ATOM 1161 CG2 VAL A 71 19.899 7.280 14.326 1.00 0.00 C ATOM 0 H VAL A 71 16.399 5.163 14.769 1.00 0.00 H new ATOM 0 HA VAL A 71 18.901 5.652 16.227 1.00 0.00 H new ATOM 0 HB VAL A 71 19.003 5.435 13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 71 18.059 7.213 12.333 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.793 6.306 13.193 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.270 7.924 13.761 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.294 7.493 13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 71 19.609 8.213 14.809 1.00 0.00 H new ATOM 0 HG23 VAL A 71 20.666 6.786 14.923 1.00 0.00 H new ATOM 1171 N GLU A 72 16.612 7.185 17.141 1.00 0.00 N ATOM 1172 CA GLU A 72 16.007 8.326 17.822 1.00 0.00 C ATOM 1173 C GLU A 72 15.174 9.161 16.854 1.00 0.00 C ATOM 1174 O GLU A 72 13.947 9.198 16.949 1.00 0.00 O ATOM 1175 CB GLU A 72 17.084 9.197 18.474 1.00 0.00 C ATOM 1176 CG GLU A 72 18.042 8.419 19.359 1.00 0.00 C ATOM 1177 CD GLU A 72 19.277 7.951 18.613 1.00 0.00 C ATOM 1178 OE1 GLU A 72 20.156 8.793 18.333 1.00 0.00 O ATOM 1179 OE2 GLU A 72 19.364 6.743 18.309 1.00 0.00 O ATOM 0 H GLU A 72 16.239 6.280 17.427 1.00 0.00 H new ATOM 0 HA GLU A 72 15.348 7.940 18.600 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.653 9.702 17.693 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.601 9.972 19.069 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.345 9.045 20.198 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.525 7.555 19.776 1.00 0.00 H new ATOM 1186 N LYS A 73 15.847 9.832 15.924 1.00 0.00 N ATOM 1187 CA LYS A 73 15.167 10.666 14.941 1.00 0.00 C ATOM 1188 C LYS A 73 14.739 9.840 13.728 1.00 0.00 C ATOM 1189 O LYS A 73 15.484 8.975 13.265 1.00 0.00 O ATOM 1190 CB LYS A 73 16.077 11.812 14.497 1.00 0.00 C ATOM 1191 CG LYS A 73 15.432 12.745 13.485 1.00 0.00 C ATOM 1192 CD LYS A 73 16.459 13.665 12.843 1.00 0.00 C ATOM 1193 CE LYS A 73 16.715 14.896 13.698 1.00 0.00 C ATOM 1194 NZ LYS A 73 17.315 16.006 12.907 1.00 0.00 N ATOM 0 H LYS A 73 16.863 9.814 15.831 1.00 0.00 H new ATOM 0 HA LYS A 73 14.274 11.081 15.409 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.374 12.389 15.373 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.987 11.396 14.066 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.934 12.158 12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.664 13.342 13.977 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.393 13.123 12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.109 13.972 11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.777 15.232 14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.381 14.635 14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.474 16.827 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.222 15.695 12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.668 16.273 12.137 1.00 0.00 H new ATOM 1208 N PRO A 74 13.532 10.095 13.194 1.00 0.00 N ATOM 1209 CA PRO A 74 13.015 9.367 12.031 1.00 0.00 C ATOM 1210 C PRO A 74 13.718 9.767 10.738 1.00 0.00 C ATOM 1211 O PRO A 74 14.233 10.879 10.619 1.00 0.00 O ATOM 1212 CB PRO A 74 11.541 9.775 11.986 1.00 0.00 C ATOM 1213 CG PRO A 74 11.505 11.120 12.623 1.00 0.00 C ATOM 1214 CD PRO A 74 12.576 11.110 13.681 1.00 0.00 C ATOM 0 HA PRO A 74 13.172 8.292 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.171 9.811 10.961 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.916 9.064 12.526 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.690 11.904 11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.527 11.318 13.061 1.00 0.00 H new ATOM 0 HD2 PRO A 74 13.047 12.088 13.785 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.172 10.845 14.658 1.00 0.00 H new ATOM 1222 N GLN A 75 13.737 8.851 9.772 1.00 0.00 N ATOM 1223 CA GLN A 75 14.376 9.094 8.479 1.00 0.00 C ATOM 1224 C GLN A 75 15.892 8.955 8.582 1.00 0.00 C ATOM 1225 O GLN A 75 16.504 8.174 7.854 1.00 0.00 O ATOM 1226 CB GLN A 75 14.013 10.482 7.942 1.00 0.00 C ATOM 1227 CG GLN A 75 12.552 10.851 8.144 1.00 0.00 C ATOM 1228 CD GLN A 75 11.943 11.514 6.924 1.00 0.00 C ATOM 1229 OE1 GLN A 75 11.415 10.843 6.037 1.00 0.00 O ATOM 1230 NE2 GLN A 75 12.016 12.839 6.873 1.00 0.00 N ATOM 0 H GLN A 75 13.314 7.927 9.861 1.00 0.00 H new ATOM 0 HA GLN A 75 14.005 8.342 7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.638 11.227 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 75 14.245 10.523 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.984 9.952 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.466 11.522 8.999 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.463 13.355 7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.625 13.341 6.076 1.00 0.00 H new ATOM 1239 N SER A 76 16.492 9.717 9.491 1.00 0.00 N ATOM 1240 CA SER A 76 17.936 9.678 9.687 1.00 0.00 C ATOM 1241 C SER A 76 18.670 10.096 8.419 1.00 0.00 C ATOM 1242 O SER A 76 17.991 10.479 7.442 1.00 0.00 O ATOM 1243 CB SER A 76 18.377 8.273 10.107 1.00 0.00 C ATOM 1244 OG SER A 76 19.382 8.331 11.104 1.00 0.00 O ATOM 1245 OXT SER A 76 19.918 10.040 8.411 1.00 0.00 O ATOM 0 H SER A 76 16.001 10.368 10.103 1.00 0.00 H new ATOM 0 HA SER A 76 18.189 10.383 10.479 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.519 7.716 10.483 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.752 7.731 9.239 1.00 0.00 H new ATOM 0 HG SER A 76 19.769 7.440 11.231 1.00 0.00 H new TER 1251 SER A 76