USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -169:sc= 2 (180deg=1.22) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.15 K(o=4.1,f=-3.1) USER MOD Set 2.1: A 76 MET CE :methyl -107:sc= -0.276 (180deg=-0.0855) USER MOD Set 2.2: A 84 LYS NZ :NH3+ 149:sc= 0.584 (180deg=1.25) USER MOD Set 3.1: A 56 ASN : amide:sc= -0.13 X(o=-0.18,f=-0.05) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.0504 X(o=-0.18,f=-0.43) USER MOD Set 4.1: A 55 SER OG : rot 180:sc= 0.0252 USER MOD Set 4.2: A 57 THR OG1 : rot -170:sc= 0.177 USER MOD Single : A 64 ASN : amide:sc= -0.0212 X(o=-0.021,f=-0.087) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 66 GLN : amide:sc= 0.645 K(o=0.64,f=-4.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 74 ASN : amide:sc= 0.0876 X(o=0.088,f=-0.27) USER MOD Single : A 77 SER OG : rot 25:sc= 1.19 USER MOD Single : A 79 HIS :FLIP no HE2:sc= -5.21 F(o=-7.4!,f=-5.2) USER MOD Single : A 81 CYS SG : rot 38:sc= -1.34 USER MOD Single : A 83 MET CE :methyl 168:sc= 0 (180deg=-0.0668) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.261 USER MOD Single : A 96 CYS SG : rot 108:sc= 0.505 USER MOD Single : A 103 HIS : +bothHN:sc= 1.3 K(o=1.3,f=-12!) USER MOD Single : A 105 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-5.1!) USER MOD Single : A 106 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0287) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.524 K(o=0.52,f=0) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.476 USER MOD Single : A 120 SER OG : rot 151:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.641 7.977 2.713 1.00 0.00 N ATOM 2 CA SER A 55 -12.461 7.343 1.405 1.00 0.00 C ATOM 3 C SER A 55 -12.629 5.860 1.521 1.00 0.00 C ATOM 4 O SER A 55 -12.893 5.327 2.598 1.00 0.00 O ATOM 5 CB SER A 55 -11.047 7.626 0.864 1.00 0.00 C ATOM 6 OG SER A 55 -11.006 7.416 -0.544 1.00 0.00 O ATOM 0 HA SER A 55 -13.209 7.753 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.761 8.652 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.325 6.975 1.357 1.00 0.00 H new ATOM 0 HG SER A 55 -10.103 7.601 -0.876 1.00 0.00 H new ATOM 14 N ASN A 56 -12.480 5.162 0.382 1.00 0.00 N ATOM 15 CA ASN A 56 -12.471 3.728 0.387 1.00 0.00 C ATOM 16 C ASN A 56 -11.431 3.302 -0.603 1.00 0.00 C ATOM 17 O ASN A 56 -11.412 2.155 -1.055 1.00 0.00 O ATOM 18 CB ASN A 56 -13.830 3.092 0.059 1.00 0.00 C ATOM 19 CG ASN A 56 -14.366 3.716 -1.225 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.097 4.705 -1.195 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.982 3.128 -2.386 1.00 0.00 N ATOM 0 H ASN A 56 -12.366 5.585 -0.539 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.245 3.382 1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.723 2.014 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.530 3.254 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.301 3.505 -3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.375 2.309 -2.366 1.00 0.00 H new ATOM 28 N THR A 57 -10.534 4.245 -0.945 1.00 0.00 N ATOM 29 CA THR A 57 -9.551 3.999 -1.958 1.00 0.00 C ATOM 30 C THR A 57 -8.231 4.451 -1.416 1.00 0.00 C ATOM 31 O THR A 57 -8.165 5.356 -0.580 1.00 0.00 O ATOM 32 CB THR A 57 -9.826 4.767 -3.266 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.636 6.166 -3.077 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.263 4.618 -3.770 1.00 0.00 C ATOM 0 H THR A 57 -10.488 5.173 -0.524 1.00 0.00 H new ATOM 0 HA THR A 57 -9.570 2.936 -2.199 1.00 0.00 H new ATOM 0 HB THR A 57 -9.131 4.339 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.964 6.650 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.385 5.184 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.475 3.566 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.954 4.998 -3.017 1.00 0.00 H new ATOM 42 N ILE A 58 -7.143 3.817 -1.891 1.00 0.00 N ATOM 43 CA ILE A 58 -5.828 4.321 -1.623 1.00 0.00 C ATOM 44 C ILE A 58 -5.031 4.104 -2.865 1.00 0.00 C ATOM 45 O ILE A 58 -5.457 3.382 -3.767 1.00 0.00 O ATOM 46 CB ILE A 58 -5.087 3.683 -0.435 1.00 0.00 C ATOM 47 CG1 ILE A 58 -5.998 2.891 0.511 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.244 4.693 0.361 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.251 1.450 0.054 1.00 0.00 C ATOM 0 H ILE A 58 -7.170 2.967 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.941 5.367 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.408 2.969 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.550 2.875 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.953 3.408 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.746 4.182 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.496 5.139 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.892 5.475 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.903 0.950 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.727 1.458 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.303 0.916 -0.008 1.00 0.00 H new ATOM 61 N ARG A 59 -3.846 4.735 -2.955 1.00 0.00 N ATOM 62 CA ARG A 59 -3.108 4.677 -4.174 1.00 0.00 C ATOM 63 C ARG A 59 -1.836 3.979 -3.887 1.00 0.00 C ATOM 64 O ARG A 59 -1.220 4.213 -2.863 1.00 0.00 O ATOM 65 CB ARG A 59 -2.842 6.075 -4.705 1.00 0.00 C ATOM 66 CG ARG A 59 -4.112 6.733 -5.238 1.00 0.00 C ATOM 67 CD ARG A 59 -4.306 8.180 -4.779 1.00 0.00 C ATOM 68 NE ARG A 59 -4.866 8.153 -3.392 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.148 7.757 -3.156 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.996 7.489 -4.169 1.00 0.00 N ATOM 71 NH2 ARG A 59 -6.604 7.682 -1.888 1.00 0.00 N ATOM 0 H ARG A 59 -3.410 5.271 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.673 4.143 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.420 6.691 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.098 6.026 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.091 6.708 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.973 6.144 -4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.357 8.716 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.982 8.706 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.277 8.436 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.682 7.581 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.952 7.194 -3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.989 7.921 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.563 7.386 -1.708 1.00 0.00 H new ATOM 85 N VAL A 60 -1.438 3.077 -4.800 1.00 0.00 N ATOM 86 CA VAL A 60 -0.254 2.301 -4.587 1.00 0.00 C ATOM 87 C VAL A 60 0.727 2.701 -5.636 1.00 0.00 C ATOM 88 O VAL A 60 0.509 2.462 -6.820 1.00 0.00 O ATOM 89 CB VAL A 60 -0.471 0.785 -4.677 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.713 -0.030 -4.145 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.756 0.316 -3.977 1.00 0.00 C ATOM 0 H VAL A 60 -1.927 2.885 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 60 0.092 2.499 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.567 0.597 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.494 -1.094 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.607 0.208 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.882 0.215 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.851 -0.765 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.712 0.580 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.618 0.800 -4.436 1.00 0.00 H new ATOM 101 N PHE A 61 1.848 3.299 -5.196 1.00 0.00 N ATOM 102 CA PHE A 61 2.879 3.704 -6.107 1.00 0.00 C ATOM 103 C PHE A 61 3.883 2.594 -6.136 1.00 0.00 C ATOM 104 O PHE A 61 4.174 1.976 -5.109 1.00 0.00 O ATOM 105 CB PHE A 61 3.603 4.974 -5.631 1.00 0.00 C ATOM 106 CG PHE A 61 2.766 6.156 -5.996 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.504 6.350 -5.420 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.260 7.153 -6.825 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.767 7.489 -5.685 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.527 8.301 -7.074 1.00 0.00 C ATOM 111 CZ PHE A 61 1.283 8.471 -6.503 1.00 0.00 C ATOM 0 H PHE A 61 2.043 3.502 -4.216 1.00 0.00 H new ATOM 0 HA PHE A 61 2.434 3.912 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.761 4.939 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.586 5.047 -6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.100 5.598 -4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.231 7.032 -7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.214 7.610 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.931 9.067 -7.719 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.716 9.370 -6.696 1.00 0.00 H new ATOM 121 N LEU A 62 4.461 2.305 -7.322 1.00 0.00 N ATOM 122 CA LEU A 62 5.459 1.278 -7.383 1.00 0.00 C ATOM 123 C LEU A 62 6.757 1.908 -6.958 1.00 0.00 C ATOM 124 O LEU A 62 6.887 3.134 -6.919 1.00 0.00 O ATOM 125 CB LEU A 62 5.598 0.627 -8.767 1.00 0.00 C ATOM 126 CG LEU A 62 4.580 -0.488 -9.031 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.915 -1.803 -8.319 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.144 -0.063 -8.735 1.00 0.00 C ATOM 0 H LEU A 62 4.247 2.764 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 62 5.164 0.462 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.488 1.395 -9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.604 0.219 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 62 4.655 -0.678 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.153 -2.547 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.887 -2.162 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.944 -1.637 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.469 -0.894 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.058 0.223 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.878 0.785 -9.366 1.00 0.00 H new ATOM 140 N PRO A 63 7.700 1.032 -6.634 1.00 0.00 N ATOM 141 CA PRO A 63 8.840 1.685 -6.028 1.00 0.00 C ATOM 142 C PRO A 63 9.643 2.220 -7.180 1.00 0.00 C ATOM 143 O PRO A 63 10.290 1.460 -7.897 1.00 0.00 O ATOM 144 CB PRO A 63 9.604 0.593 -5.319 1.00 0.00 C ATOM 145 CG PRO A 63 8.639 -0.580 -5.175 1.00 0.00 C ATOM 146 CD PRO A 63 7.361 -0.177 -5.908 1.00 0.00 C ATOM 0 HA PRO A 63 8.593 2.484 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.487 0.303 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.952 0.932 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.064 -1.488 -5.604 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.435 -0.789 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.032 -0.964 -6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.545 0.001 -5.207 1.00 0.00 H new ATOM 154 N ASN A 64 9.589 3.559 -7.360 1.00 0.00 N ATOM 155 CA ASN A 64 10.420 4.240 -8.317 1.00 0.00 C ATOM 156 C ASN A 64 9.675 4.319 -9.619 1.00 0.00 C ATOM 157 O ASN A 64 9.875 5.247 -10.399 1.00 0.00 O ATOM 158 CB ASN A 64 11.840 3.685 -8.558 1.00 0.00 C ATOM 159 CG ASN A 64 12.605 3.744 -7.242 1.00 0.00 C ATOM 160 OD1 ASN A 64 12.879 4.821 -6.714 1.00 0.00 O ATOM 161 ND2 ASN A 64 12.962 2.554 -6.692 1.00 0.00 N ATOM 0 H ASN A 64 8.965 4.174 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 64 10.612 5.215 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.790 2.659 -8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.352 4.270 -9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.475 2.533 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.716 1.682 -7.160 1.00 0.00 H new ATOM 168 N LYS A 65 8.789 3.340 -9.887 1.00 0.00 N ATOM 169 CA LYS A 65 8.170 3.265 -11.177 1.00 0.00 C ATOM 170 C LYS A 65 6.794 3.867 -11.082 1.00 0.00 C ATOM 171 O LYS A 65 6.624 5.081 -11.180 1.00 0.00 O ATOM 172 CB LYS A 65 8.078 1.841 -11.739 1.00 0.00 C ATOM 173 CG LYS A 65 9.437 1.251 -12.133 1.00 0.00 C ATOM 174 CD LYS A 65 10.188 0.588 -10.974 1.00 0.00 C ATOM 175 CE LYS A 65 9.352 -0.446 -10.213 1.00 0.00 C ATOM 176 NZ LYS A 65 10.133 -1.003 -9.114 1.00 0.00 N ATOM 0 H LYS A 65 8.506 2.615 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 65 8.801 3.819 -11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.612 1.195 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.425 1.845 -12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.287 0.515 -12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.059 2.044 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.084 0.104 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.519 1.359 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.445 0.019 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.039 -1.242 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.560 -1.704 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.986 -1.463 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.410 -0.240 -8.464 1.00 0.00 H new ATOM 190 N GLN A 66 5.768 3.006 -10.923 1.00 0.00 N ATOM 191 CA GLN A 66 4.449 3.358 -11.359 1.00 0.00 C ATOM 192 C GLN A 66 3.584 3.613 -10.176 1.00 0.00 C ATOM 193 O GLN A 66 4.049 4.045 -9.130 1.00 0.00 O ATOM 194 CB GLN A 66 3.826 2.220 -12.180 1.00 0.00 C ATOM 195 CG GLN A 66 3.584 2.585 -13.641 1.00 0.00 C ATOM 196 CD GLN A 66 2.082 2.698 -13.853 1.00 0.00 C ATOM 197 OE1 GLN A 66 1.409 1.715 -14.163 1.00 0.00 O ATOM 198 NE2 GLN A 66 1.522 3.901 -13.580 1.00 0.00 N ATOM 0 H GLN A 66 5.849 2.081 -10.500 1.00 0.00 H new ATOM 0 HA GLN A 66 4.522 4.252 -11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.481 1.350 -12.135 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.879 1.930 -11.725 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.076 3.527 -13.885 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.006 1.825 -14.299 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.113 4.693 -13.327 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.510 4.015 -13.628 1.00 0.00 H new ATOM 207 N ARG A 67 2.260 3.576 -10.428 1.00 0.00 N ATOM 208 CA ARG A 67 1.299 3.922 -9.431 1.00 0.00 C ATOM 209 C ARG A 67 -0.043 3.514 -9.951 1.00 0.00 C ATOM 210 O ARG A 67 -0.190 3.191 -11.130 1.00 0.00 O ATOM 211 CB ARG A 67 1.265 5.422 -9.136 1.00 0.00 C ATOM 212 CG ARG A 67 1.293 6.297 -10.391 1.00 0.00 C ATOM 213 CD ARG A 67 2.656 6.946 -10.645 1.00 0.00 C ATOM 214 NE ARG A 67 2.743 7.256 -12.103 1.00 0.00 N ATOM 215 CZ ARG A 67 3.938 7.576 -12.673 1.00 0.00 C ATOM 216 NH1 ARG A 67 5.096 7.391 -12.008 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.990 7.941 -13.974 1.00 0.00 N ATOM 0 H ARG A 67 1.858 3.305 -11.326 1.00 0.00 H new ATOM 0 HA ARG A 67 1.566 3.416 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.365 5.651 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.117 5.679 -8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.020 5.691 -11.255 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.538 7.078 -10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.764 7.855 -10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.461 6.275 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 67 1.900 7.228 -12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.086 7.006 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.982 7.636 -12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.134 7.977 -14.528 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.885 8.181 -14.401 1.00 0.00 H new ATOM 231 N THR A 68 -1.044 3.496 -9.051 1.00 0.00 N ATOM 232 CA THR A 68 -2.385 3.166 -9.439 1.00 0.00 C ATOM 233 C THR A 68 -3.241 3.364 -8.226 1.00 0.00 C ATOM 234 O THR A 68 -2.731 3.649 -7.142 1.00 0.00 O ATOM 235 CB THR A 68 -2.564 1.728 -9.962 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.866 1.557 -10.507 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.286 0.638 -8.916 1.00 0.00 C ATOM 0 H THR A 68 -0.928 3.708 -8.060 1.00 0.00 H new ATOM 0 HA THR A 68 -2.663 3.809 -10.274 1.00 0.00 H new ATOM 0 HB THR A 68 -1.810 1.602 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.965 0.639 -10.837 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.435 -0.344 -9.365 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.258 0.724 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.968 0.759 -8.074 1.00 0.00 H new ATOM 245 N VAL A 69 -4.569 3.215 -8.384 1.00 0.00 N ATOM 246 CA VAL A 69 -5.454 3.346 -7.265 1.00 0.00 C ATOM 247 C VAL A 69 -6.066 2.005 -7.027 1.00 0.00 C ATOM 248 O VAL A 69 -6.303 1.238 -7.960 1.00 0.00 O ATOM 249 CB VAL A 69 -6.560 4.392 -7.460 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.252 4.310 -8.826 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.587 4.447 -6.312 1.00 0.00 C ATOM 0 H VAL A 69 -5.026 3.007 -9.272 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.871 3.696 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.022 5.340 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.021 5.079 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.517 4.464 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.710 3.328 -8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.334 5.211 -6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.077 3.478 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.078 4.691 -5.380 1.00 0.00 H new ATOM 261 N VAL A 70 -6.330 1.701 -5.745 1.00 0.00 N ATOM 262 CA VAL A 70 -6.884 0.430 -5.391 1.00 0.00 C ATOM 263 C VAL A 70 -8.049 0.687 -4.491 1.00 0.00 C ATOM 264 O VAL A 70 -8.172 1.762 -3.902 1.00 0.00 O ATOM 265 CB VAL A 70 -5.886 -0.483 -4.665 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.717 -0.922 -5.551 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.313 0.125 -3.373 1.00 0.00 C ATOM 0 H VAL A 70 -6.162 2.328 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.169 -0.086 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.487 -1.353 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.048 -1.565 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.099 -1.470 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.170 -0.043 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.616 -0.579 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.790 1.052 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.126 0.333 -2.677 1.00 0.00 H new ATOM 277 N ASN A 71 -8.926 -0.324 -4.354 1.00 0.00 N ATOM 278 CA ASN A 71 -10.062 -0.203 -3.488 1.00 0.00 C ATOM 279 C ASN A 71 -9.887 -1.221 -2.407 1.00 0.00 C ATOM 280 O ASN A 71 -9.258 -2.258 -2.618 1.00 0.00 O ATOM 281 CB ASN A 71 -11.385 -0.520 -4.203 1.00 0.00 C ATOM 282 CG ASN A 71 -11.833 0.723 -4.963 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.709 1.459 -4.509 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.253 0.940 -6.173 1.00 0.00 N ATOM 0 H ASN A 71 -8.852 -1.219 -4.838 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.113 0.823 -3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.254 -1.357 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.145 -0.817 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.541 1.737 -6.741 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.530 0.306 -6.513 1.00 0.00 H new ATOM 291 N VAL A 72 -10.475 -0.952 -1.225 1.00 0.00 N ATOM 292 CA VAL A 72 -10.385 -1.887 -0.142 1.00 0.00 C ATOM 293 C VAL A 72 -11.714 -2.561 -0.032 1.00 0.00 C ATOM 294 O VAL A 72 -12.760 -1.942 -0.223 1.00 0.00 O ATOM 295 CB VAL A 72 -10.050 -1.232 1.206 1.00 0.00 C ATOM 296 CG1 VAL A 72 -9.889 -2.238 2.354 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.775 -0.384 1.159 1.00 0.00 C ATOM 0 H VAL A 72 -11.003 -0.104 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.573 -2.581 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.914 -0.597 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.653 -1.705 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.818 -2.793 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.081 -2.931 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.592 0.052 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.930 -1.013 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.895 0.413 0.425 1.00 0.00 H new ATOM 307 N ARG A 73 -11.693 -3.875 0.263 1.00 0.00 N ATOM 308 CA ARG A 73 -12.913 -4.605 0.436 1.00 0.00 C ATOM 309 C ARG A 73 -12.858 -5.217 1.797 1.00 0.00 C ATOM 310 O ARG A 73 -11.838 -5.150 2.484 1.00 0.00 O ATOM 311 CB ARG A 73 -13.086 -5.730 -0.598 1.00 0.00 C ATOM 312 CG ARG A 73 -14.428 -5.683 -1.339 1.00 0.00 C ATOM 313 CD ARG A 73 -14.426 -4.755 -2.558 1.00 0.00 C ATOM 314 NE ARG A 73 -14.396 -3.348 -2.055 1.00 0.00 N ATOM 315 CZ ARG A 73 -14.591 -2.302 -2.904 1.00 0.00 C ATOM 316 NH1 ARG A 73 -14.940 -2.509 -4.188 1.00 0.00 N ATOM 317 NH2 ARG A 73 -14.482 -1.036 -2.441 1.00 0.00 N ATOM 0 H ARG A 73 -10.843 -4.426 0.381 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.753 -3.922 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.277 -5.671 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.992 -6.692 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.691 -6.691 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.204 -5.357 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.560 -4.954 -3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.312 -4.924 -3.169 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.228 -3.170 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.062 -3.460 -4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.083 -1.715 -4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.255 -0.869 -1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.627 -0.248 -3.072 1.00 0.00 H new ATOM 331 N ASN A 74 -13.952 -5.890 2.198 1.00 0.00 N ATOM 332 CA ASN A 74 -13.996 -6.499 3.496 1.00 0.00 C ATOM 333 C ASN A 74 -13.304 -7.822 3.395 1.00 0.00 C ATOM 334 O ASN A 74 -13.843 -8.785 2.850 1.00 0.00 O ATOM 335 CB ASN A 74 -15.403 -6.692 4.095 1.00 0.00 C ATOM 336 CG ASN A 74 -16.415 -6.782 2.958 1.00 0.00 C ATOM 337 OD1 ASN A 74 -17.129 -5.824 2.666 1.00 0.00 O ATOM 338 ND2 ASN A 74 -16.466 -7.959 2.279 1.00 0.00 N ATOM 0 H ASN A 74 -14.794 -6.013 1.636 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.502 -5.811 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.434 -7.598 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.650 -5.860 4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.112 -8.070 1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.858 -8.731 2.551 1.00 0.00 H new ATOM 345 N GLY A 75 -12.066 -7.879 3.919 1.00 0.00 N ATOM 346 CA GLY A 75 -11.296 -9.086 3.846 1.00 0.00 C ATOM 347 C GLY A 75 -9.911 -8.706 3.439 1.00 0.00 C ATOM 348 O GLY A 75 -8.948 -9.405 3.747 1.00 0.00 O ATOM 0 H GLY A 75 -11.601 -7.101 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.287 -9.595 4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.732 -9.777 3.125 1.00 0.00 H new ATOM 352 N MET A 76 -9.775 -7.571 2.722 1.00 0.00 N ATOM 353 CA MET A 76 -8.492 -7.189 2.219 1.00 0.00 C ATOM 354 C MET A 76 -7.764 -6.477 3.298 1.00 0.00 C ATOM 355 O MET A 76 -8.355 -5.814 4.150 1.00 0.00 O ATOM 356 CB MET A 76 -8.556 -6.260 1.008 1.00 0.00 C ATOM 357 CG MET A 76 -9.061 -6.967 -0.244 1.00 0.00 C ATOM 358 SD MET A 76 -9.404 -5.747 -1.550 1.00 0.00 S ATOM 359 CE MET A 76 -10.188 -6.842 -2.777 1.00 0.00 C ATOM 0 H MET A 76 -10.537 -6.932 2.496 1.00 0.00 H new ATOM 0 HA MET A 76 -7.992 -8.104 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.210 -5.418 1.234 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.564 -5.851 0.815 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.318 -7.685 -0.591 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.965 -7.530 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.502 -7.008 -3.607 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.431 -7.797 -2.310 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.101 -6.377 -3.149 1.00 0.00 H new ATOM 369 N SER A 77 -6.430 -6.590 3.259 1.00 0.00 N ATOM 370 CA SER A 77 -5.613 -5.790 4.117 1.00 0.00 C ATOM 371 C SER A 77 -4.229 -5.886 3.626 1.00 0.00 C ATOM 372 O SER A 77 -3.663 -6.971 3.688 1.00 0.00 O ATOM 373 CB SER A 77 -5.571 -6.217 5.568 1.00 0.00 C ATOM 374 OG SER A 77 -6.748 -5.789 6.242 1.00 0.00 O ATOM 0 H SER A 77 -5.919 -7.224 2.645 1.00 0.00 H new ATOM 0 HA SER A 77 -6.050 -4.792 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.480 -7.301 5.633 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.691 -5.794 6.053 1.00 0.00 H new ATOM 0 HG SER A 77 -7.477 -5.687 5.595 1.00 0.00 H new ATOM 380 N LEU A 78 -3.723 -4.719 3.181 1.00 0.00 N ATOM 381 CA LEU A 78 -2.346 -4.539 2.839 1.00 0.00 C ATOM 382 C LEU A 78 -1.907 -5.645 1.938 1.00 0.00 C ATOM 383 O LEU A 78 -1.987 -5.544 0.738 1.00 0.00 O ATOM 384 CB LEU A 78 -1.448 -4.379 4.058 1.00 0.00 C ATOM 385 CG LEU A 78 -0.914 -2.959 4.234 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.196 -2.425 3.024 1.00 0.00 C ATOM 387 CD2 LEU A 78 -1.995 -1.894 4.292 1.00 0.00 C ATOM 0 H LEU A 78 -4.288 -3.879 3.056 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.248 -3.597 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.005 -4.663 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.607 -5.068 3.974 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.316 -3.088 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.154 -1.413 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.656 -3.065 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.877 -2.411 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.534 -0.914 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.570 -1.908 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.658 -2.094 5.134 1.00 0.00 H new ATOM 399 N HIS A 79 -1.418 -6.745 2.524 1.00 0.00 N ATOM 400 CA HIS A 79 -0.893 -7.844 1.758 1.00 0.00 C ATOM 401 C HIS A 79 -1.989 -8.368 0.876 1.00 0.00 C ATOM 402 O HIS A 79 -1.797 -8.522 -0.320 1.00 0.00 O ATOM 403 CB HIS A 79 -0.392 -9.008 2.632 1.00 0.00 C ATOM 404 CG HIS A 79 1.089 -9.235 2.536 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.960 -9.725 3.442 1.00 0.00 N flip ATOM 406 CD2 HIS A 79 1.812 -8.929 1.415 1.00 0.00 C flip ATOM 407 CE1 HIS A 79 3.203 -9.683 2.876 1.00 0.00 C flip ATOM 408 NE2 HIS A 79 3.090 -9.160 1.667 1.00 0.00 N flip ATOM 0 H HIS A 79 -1.382 -6.882 3.534 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.042 -7.466 1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.655 -8.811 3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.911 -9.921 2.340 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.733 -10.064 4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.408 -8.562 0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.120 -10.019 3.337 1.00 0.00 H new ATOM 417 N ASP A 80 -3.205 -8.537 1.433 1.00 0.00 N ATOM 418 CA ASP A 80 -4.277 -9.116 0.676 1.00 0.00 C ATOM 419 C ASP A 80 -5.008 -8.001 -0.018 1.00 0.00 C ATOM 420 O ASP A 80 -5.961 -8.239 -0.755 1.00 0.00 O ATOM 421 CB ASP A 80 -5.280 -9.862 1.563 1.00 0.00 C ATOM 422 CG ASP A 80 -4.538 -10.986 2.275 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.862 -10.689 3.296 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.630 -12.147 1.797 1.00 0.00 O ATOM 0 H ASP A 80 -3.444 -8.278 2.390 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.849 -9.832 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.726 -9.182 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.094 -10.265 0.961 1.00 0.00 H new ATOM 429 N CYS A 81 -4.557 -6.750 0.198 1.00 0.00 N ATOM 430 CA CYS A 81 -5.221 -5.615 -0.377 1.00 0.00 C ATOM 431 C CYS A 81 -4.327 -5.072 -1.473 1.00 0.00 C ATOM 432 O CYS A 81 -4.762 -4.295 -2.322 1.00 0.00 O ATOM 433 CB CYS A 81 -5.493 -4.524 0.682 1.00 0.00 C ATOM 434 SG CYS A 81 -6.853 -3.444 0.128 1.00 0.00 S ATOM 0 H CYS A 81 -3.740 -6.524 0.765 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.189 -5.917 -0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.750 -4.986 1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.592 -3.933 0.847 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.755 -4.158 -0.477 1.00 0.00 H new ATOM 440 N LEU A 82 -3.057 -5.525 -1.488 1.00 0.00 N ATOM 441 CA LEU A 82 -2.075 -5.026 -2.415 1.00 0.00 C ATOM 442 C LEU A 82 -1.772 -6.126 -3.341 1.00 0.00 C ATOM 443 O LEU A 82 -1.326 -5.892 -4.456 1.00 0.00 O ATOM 444 CB LEU A 82 -0.732 -4.810 -1.721 1.00 0.00 C ATOM 445 CG LEU A 82 -0.679 -3.567 -0.843 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.379 -2.557 -1.290 1.00 0.00 C ATOM 447 CD2 LEU A 82 -2.003 -2.815 -0.757 1.00 0.00 C ATOM 0 H LEU A 82 -2.705 -6.242 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.462 -4.111 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.506 -5.684 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.049 -4.741 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.425 -3.973 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.364 -1.695 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.364 -3.024 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.164 -2.231 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.885 -1.943 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.304 -2.493 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.768 -3.471 -0.341 1.00 0.00 H new ATOM 459 N MET A 83 -1.878 -7.356 -2.814 1.00 0.00 N ATOM 460 CA MET A 83 -1.749 -8.554 -3.595 1.00 0.00 C ATOM 461 C MET A 83 -2.561 -8.380 -4.831 1.00 0.00 C ATOM 462 O MET A 83 -2.112 -8.801 -5.872 1.00 0.00 O ATOM 463 CB MET A 83 -2.348 -9.676 -2.748 1.00 0.00 C ATOM 464 CG MET A 83 -2.906 -10.854 -3.540 1.00 0.00 C ATOM 465 SD MET A 83 -1.537 -11.833 -4.237 1.00 0.00 S ATOM 466 CE MET A 83 -2.480 -13.241 -4.902 1.00 0.00 C ATOM 0 H MET A 83 -2.057 -7.527 -1.825 1.00 0.00 H new ATOM 0 HA MET A 83 -0.716 -8.772 -3.865 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.581 -10.046 -2.067 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.146 -9.260 -2.133 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.521 -11.480 -2.893 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.551 -10.493 -4.341 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.836 -13.837 -5.549 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.840 -13.859 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.330 -12.871 -5.476 1.00 0.00 H new ATOM 476 N LYS A 84 -3.701 -7.685 -4.674 1.00 0.00 N ATOM 477 CA LYS A 84 -4.504 -7.232 -5.761 1.00 0.00 C ATOM 478 C LYS A 84 -3.651 -6.468 -6.747 1.00 0.00 C ATOM 479 O LYS A 84 -3.581 -6.835 -7.914 1.00 0.00 O ATOM 480 CB LYS A 84 -5.324 -6.223 -5.016 1.00 0.00 C ATOM 481 CG LYS A 84 -6.432 -5.587 -5.815 1.00 0.00 C ATOM 482 CD LYS A 84 -7.443 -4.960 -4.881 1.00 0.00 C ATOM 483 CE LYS A 84 -8.678 -4.407 -5.591 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.708 -4.072 -4.614 1.00 0.00 N ATOM 0 H LYS A 84 -4.074 -7.431 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.030 -8.012 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.759 -6.705 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.662 -5.437 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.022 -4.830 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.917 -6.336 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.758 -5.704 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.962 -4.153 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.410 -3.521 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.061 -5.143 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.272 -3.272 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.328 -4.894 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.260 -3.811 -3.713 1.00 0.00 H new ATOM 498 N ALA A 85 -3.058 -5.340 -6.294 1.00 0.00 N ATOM 499 CA ALA A 85 -2.398 -4.410 -7.185 1.00 0.00 C ATOM 500 C ALA A 85 -1.274 -5.113 -7.880 1.00 0.00 C ATOM 501 O ALA A 85 -1.039 -4.914 -9.065 1.00 0.00 O ATOM 502 CB ALA A 85 -1.754 -3.377 -6.235 1.00 0.00 C ATOM 0 H ALA A 85 -3.033 -5.068 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.081 -3.985 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.226 -2.624 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.531 -2.896 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.050 -3.881 -5.573 1.00 0.00 H new ATOM 508 N LEU A 86 -0.516 -5.919 -7.124 1.00 0.00 N ATOM 509 CA LEU A 86 0.711 -6.471 -7.622 1.00 0.00 C ATOM 510 C LEU A 86 0.374 -7.716 -8.326 1.00 0.00 C ATOM 511 O LEU A 86 1.191 -8.272 -9.035 1.00 0.00 O ATOM 512 CB LEU A 86 1.556 -6.854 -6.430 1.00 0.00 C ATOM 513 CG LEU A 86 1.784 -5.675 -5.494 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.663 -6.041 -4.053 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.880 -4.730 -5.963 1.00 0.00 C ATOM 0 H LEU A 86 -0.747 -6.192 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 86 1.229 -5.764 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.069 -7.662 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.517 -7.236 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 86 0.941 -4.988 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.836 -5.158 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.663 -6.428 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.401 -6.804 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.987 -3.914 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.822 -5.274 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.617 -4.324 -6.940 1.00 0.00 H new ATOM 527 N LYS A 87 -0.834 -8.219 -8.057 1.00 0.00 N ATOM 528 CA LYS A 87 -1.348 -9.349 -8.786 1.00 0.00 C ATOM 529 C LYS A 87 -1.451 -8.946 -10.226 1.00 0.00 C ATOM 530 O LYS A 87 -1.061 -9.697 -11.119 1.00 0.00 O ATOM 531 CB LYS A 87 -2.792 -9.684 -8.386 1.00 0.00 C ATOM 532 CG LYS A 87 -3.016 -11.157 -8.080 1.00 0.00 C ATOM 533 CD LYS A 87 -3.776 -11.888 -9.189 1.00 0.00 C ATOM 534 CE LYS A 87 -4.025 -13.368 -8.887 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.752 -13.988 -9.990 1.00 0.00 N ATOM 0 H LYS A 87 -1.461 -7.854 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.688 -10.194 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.063 -9.095 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.462 -9.384 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.052 -11.642 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.570 -11.248 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.733 -11.392 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.214 -11.805 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.076 -13.881 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.595 -13.468 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.917 -14.992 -9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.665 -13.507 -10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.193 -13.907 -10.863 1.00 0.00 H new ATOM 549 N VAL A 88 -2.017 -7.743 -10.436 1.00 0.00 N ATOM 550 CA VAL A 88 -2.211 -7.185 -11.749 1.00 0.00 C ATOM 551 C VAL A 88 -0.873 -7.117 -12.436 1.00 0.00 C ATOM 552 O VAL A 88 -0.773 -7.269 -13.652 1.00 0.00 O ATOM 553 CB VAL A 88 -2.707 -5.735 -11.616 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.893 -5.002 -12.944 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.961 -5.591 -10.766 1.00 0.00 C ATOM 0 H VAL A 88 -2.348 -7.142 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.925 -7.796 -12.301 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.884 -5.249 -11.092 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.244 -3.988 -12.754 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.942 -4.963 -13.474 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.626 -5.532 -13.552 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.250 -4.541 -10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.770 -6.170 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.762 -5.958 -9.759 1.00 0.00 H new ATOM 565 N ARG A 89 0.186 -6.869 -11.646 1.00 0.00 N ATOM 566 CA ARG A 89 1.459 -6.522 -12.195 1.00 0.00 C ATOM 567 C ARG A 89 2.268 -7.779 -12.319 1.00 0.00 C ATOM 568 O ARG A 89 3.055 -7.934 -13.250 1.00 0.00 O ATOM 569 CB ARG A 89 2.146 -5.570 -11.215 1.00 0.00 C ATOM 570 CG ARG A 89 1.283 -4.353 -10.870 1.00 0.00 C ATOM 571 CD ARG A 89 1.753 -3.066 -11.548 1.00 0.00 C ATOM 572 NE ARG A 89 0.951 -1.942 -10.983 1.00 0.00 N ATOM 573 CZ ARG A 89 0.937 -0.727 -11.598 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.471 -0.570 -12.825 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.291 0.312 -11.024 1.00 0.00 N ATOM 0 H ARG A 89 0.161 -6.909 -10.627 1.00 0.00 H new ATOM 0 HA ARG A 89 1.358 -6.047 -13.171 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.388 -6.110 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.089 -5.232 -11.644 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.252 -4.553 -11.161 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.287 -4.208 -9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.816 -2.905 -11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.616 -3.130 -12.628 1.00 0.00 H new ATOM 0 HE ARG A 89 0.410 -2.084 -10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.892 -1.366 -13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.454 0.345 -13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.185 0.186 -10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.280 1.222 -11.484 1.00 0.00 H new ATOM 589 N GLY A 90 2.100 -8.694 -11.347 1.00 0.00 N ATOM 590 CA GLY A 90 2.873 -9.903 -11.323 1.00 0.00 C ATOM 591 C GLY A 90 4.010 -9.681 -10.377 1.00 0.00 C ATOM 592 O GLY A 90 5.124 -10.148 -10.607 1.00 0.00 O ATOM 0 H GLY A 90 1.434 -8.600 -10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.261 -10.745 -10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.243 -10.143 -12.320 1.00 0.00 H new ATOM 596 N LEU A 91 3.742 -8.949 -9.276 1.00 0.00 N ATOM 597 CA LEU A 91 4.797 -8.540 -8.393 1.00 0.00 C ATOM 598 C LEU A 91 4.606 -9.270 -7.095 1.00 0.00 C ATOM 599 O LEU A 91 3.565 -9.879 -6.852 1.00 0.00 O ATOM 600 CB LEU A 91 4.754 -7.031 -8.089 1.00 0.00 C ATOM 601 CG LEU A 91 5.337 -6.139 -9.195 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.343 -5.107 -8.668 1.00 0.00 C ATOM 603 CD2 LEU A 91 5.958 -6.914 -10.364 1.00 0.00 C ATOM 0 H LEU A 91 2.809 -8.644 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 91 5.750 -8.764 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.719 -6.739 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.300 -6.844 -7.164 1.00 0.00 H new ATOM 0 HG LEU A 91 4.466 -5.610 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.718 -4.508 -9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.852 -4.457 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.175 -5.622 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.346 -6.211 -11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.771 -7.539 -9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.198 -7.543 -10.828 1.00 0.00 H new ATOM 615 N GLN A 92 5.615 -9.173 -6.204 1.00 0.00 N ATOM 616 CA GLN A 92 5.550 -9.845 -4.939 1.00 0.00 C ATOM 617 C GLN A 92 5.606 -8.788 -3.867 1.00 0.00 C ATOM 618 O GLN A 92 6.490 -7.928 -3.862 1.00 0.00 O ATOM 619 CB GLN A 92 6.722 -10.812 -4.720 1.00 0.00 C ATOM 620 CG GLN A 92 6.654 -12.060 -5.611 1.00 0.00 C ATOM 621 CD GLN A 92 7.186 -13.252 -4.819 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.391 -13.498 -4.779 1.00 0.00 O ATOM 623 NE2 GLN A 92 6.275 -14.055 -4.191 1.00 0.00 N ATOM 0 H GLN A 92 6.468 -8.635 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 92 4.632 -10.432 -4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.658 -10.287 -4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.739 -11.121 -3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.627 -12.244 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.245 -11.912 -6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.281 -13.832 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.590 -14.877 -3.676 1.00 0.00 H new ATOM 632 N PRO A 93 4.707 -8.957 -2.908 1.00 0.00 N ATOM 633 CA PRO A 93 4.754 -7.881 -1.939 1.00 0.00 C ATOM 634 C PRO A 93 5.477 -8.459 -0.750 1.00 0.00 C ATOM 635 O PRO A 93 5.878 -7.729 0.153 1.00 0.00 O ATOM 636 CB PRO A 93 3.317 -7.641 -1.520 1.00 0.00 C ATOM 637 CG PRO A 93 2.506 -8.818 -2.051 1.00 0.00 C ATOM 638 CD PRO A 93 3.362 -9.455 -3.136 1.00 0.00 C ATOM 0 HA PRO A 93 5.224 -6.971 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.236 -7.573 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.947 -6.700 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.286 -9.532 -1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.549 -8.484 -2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.330 -10.543 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.005 -9.182 -4.129 1.00 0.00 H new ATOM 646 N GLU A 94 5.703 -9.790 -0.729 1.00 0.00 N ATOM 647 CA GLU A 94 6.145 -10.445 0.474 1.00 0.00 C ATOM 648 C GLU A 94 7.589 -10.092 0.711 1.00 0.00 C ATOM 649 O GLU A 94 8.116 -10.310 1.800 1.00 0.00 O ATOM 650 CB GLU A 94 6.051 -11.976 0.412 1.00 0.00 C ATOM 651 CG GLU A 94 4.656 -12.495 0.036 1.00 0.00 C ATOM 652 CD GLU A 94 4.653 -12.826 -1.452 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.956 -11.911 -2.263 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.376 -14.001 -1.804 1.00 0.00 O ATOM 0 H GLU A 94 5.582 -10.407 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 94 5.488 -10.103 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.774 -12.346 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.333 -12.388 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.410 -13.380 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.899 -11.744 0.259 1.00 0.00 H new ATOM 661 N CYS A 95 8.262 -9.525 -0.308 1.00 0.00 N ATOM 662 CA CYS A 95 9.670 -9.272 -0.200 1.00 0.00 C ATOM 663 C CYS A 95 9.859 -7.785 -0.101 1.00 0.00 C ATOM 664 O CYS A 95 10.970 -7.277 -0.253 1.00 0.00 O ATOM 665 CB CYS A 95 10.417 -9.766 -1.448 1.00 0.00 C ATOM 666 SG CYS A 95 12.159 -10.107 -1.034 1.00 0.00 S ATOM 0 H CYS A 95 7.841 -9.245 -1.194 1.00 0.00 H new ATOM 0 HA CYS A 95 10.062 -9.794 0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.942 -10.668 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.362 -9.015 -2.236 1.00 0.00 H new ATOM 0 HG CYS A 95 12.783 -10.526 -2.095 1.00 0.00 H new ATOM 672 N CYS A 96 8.773 -7.042 0.187 1.00 0.00 N ATOM 673 CA CYS A 96 8.842 -5.613 0.112 1.00 0.00 C ATOM 674 C CYS A 96 8.303 -5.054 1.398 1.00 0.00 C ATOM 675 O CYS A 96 7.691 -5.764 2.194 1.00 0.00 O ATOM 676 CB CYS A 96 7.968 -5.067 -1.018 1.00 0.00 C ATOM 677 SG CYS A 96 8.578 -5.680 -2.623 1.00 0.00 S ATOM 0 H CYS A 96 7.867 -7.419 0.466 1.00 0.00 H new ATOM 0 HA CYS A 96 9.879 -5.329 -0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.933 -5.375 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.981 -3.977 -1.006 1.00 0.00 H new ATOM 0 HG CYS A 96 7.748 -6.563 -3.094 1.00 0.00 H new ATOM 683 N ALA A 97 8.523 -3.737 1.600 1.00 0.00 N ATOM 684 CA ALA A 97 7.940 -3.037 2.709 1.00 0.00 C ATOM 685 C ALA A 97 7.002 -2.034 2.130 1.00 0.00 C ATOM 686 O ALA A 97 7.319 -1.358 1.155 1.00 0.00 O ATOM 687 CB ALA A 97 8.882 -2.273 3.668 1.00 0.00 C ATOM 0 H ALA A 97 9.105 -3.158 0.995 1.00 0.00 H new ATOM 0 HA ALA A 97 7.497 -3.816 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.294 -1.797 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.589 -2.971 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.428 -1.512 3.111 1.00 0.00 H new ATOM 693 N VAL A 98 5.815 -1.911 2.743 1.00 0.00 N ATOM 694 CA VAL A 98 4.841 -0.958 2.292 1.00 0.00 C ATOM 695 C VAL A 98 4.961 0.244 3.160 1.00 0.00 C ATOM 696 O VAL A 98 5.533 0.197 4.249 1.00 0.00 O ATOM 697 CB VAL A 98 3.382 -1.419 2.423 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.589 -1.349 1.112 1.00 0.00 C ATOM 699 CG2 VAL A 98 3.244 -2.735 3.155 1.00 0.00 C ATOM 0 H VAL A 98 5.525 -2.466 3.548 1.00 0.00 H new ATOM 0 HA VAL A 98 5.046 -0.790 1.235 1.00 0.00 H new ATOM 0 HB VAL A 98 2.901 -0.681 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.568 -1.690 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.571 -0.320 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.063 -1.986 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.191 -3.009 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.790 -3.510 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.652 -2.636 4.161 1.00 0.00 H new ATOM 709 N PHE A 99 4.274 1.316 2.738 1.00 0.00 N ATOM 710 CA PHE A 99 4.340 2.560 3.432 1.00 0.00 C ATOM 711 C PHE A 99 3.184 3.364 2.963 1.00 0.00 C ATOM 712 O PHE A 99 2.640 3.120 1.886 1.00 0.00 O ATOM 713 CB PHE A 99 5.537 3.410 2.971 1.00 0.00 C ATOM 714 CG PHE A 99 6.786 2.810 3.511 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.485 1.860 2.787 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.401 3.336 4.651 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.793 1.568 3.098 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.725 3.105 4.912 1.00 0.00 C ATOM 719 CZ PHE A 99 9.433 2.269 4.092 1.00 0.00 C ATOM 0 H PHE A 99 3.672 1.321 1.915 1.00 0.00 H new ATOM 0 HA PHE A 99 4.386 2.345 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.576 3.448 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.429 4.436 3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.000 1.344 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.822 3.935 5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.316 0.790 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.205 3.577 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.499 2.160 4.226 1.00 0.00 H new ATOM 729 N ARG A 100 2.859 4.414 3.730 1.00 0.00 N ATOM 730 CA ARG A 100 2.111 5.495 3.189 1.00 0.00 C ATOM 731 C ARG A 100 3.062 6.639 3.041 1.00 0.00 C ATOM 732 O ARG A 100 4.067 6.722 3.754 1.00 0.00 O ATOM 733 CB ARG A 100 0.814 5.794 3.931 1.00 0.00 C ATOM 734 CG ARG A 100 0.838 7.042 4.818 1.00 0.00 C ATOM 735 CD ARG A 100 0.410 6.750 6.255 1.00 0.00 C ATOM 736 NE ARG A 100 -0.379 7.916 6.754 1.00 0.00 N ATOM 737 CZ ARG A 100 0.221 9.103 7.042 1.00 0.00 C ATOM 738 NH1 ARG A 100 1.556 9.243 6.948 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.538 10.154 7.427 1.00 0.00 N ATOM 0 H ARG A 100 3.111 4.513 4.713 1.00 0.00 H new ATOM 0 HA ARG A 100 1.713 5.238 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.014 5.904 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.563 4.933 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.844 7.462 4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.178 7.798 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.189 5.840 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.284 6.585 6.886 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.387 7.821 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.132 8.453 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.992 10.139 7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.550 10.053 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.098 11.048 7.645 1.00 0.00 H new ATOM 753 N LEU A 101 2.803 7.516 2.059 1.00 0.00 N ATOM 754 CA LEU A 101 3.791 8.468 1.643 1.00 0.00 C ATOM 755 C LEU A 101 3.857 9.555 2.672 1.00 0.00 C ATOM 756 O LEU A 101 3.166 9.536 3.692 1.00 0.00 O ATOM 757 CB LEU A 101 3.416 9.111 0.299 1.00 0.00 C ATOM 758 CG LEU A 101 3.438 8.128 -0.873 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.048 8.761 -2.212 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.776 7.405 -1.023 1.00 0.00 C ATOM 0 H LEU A 101 1.918 7.570 1.554 1.00 0.00 H new ATOM 0 HA LEU A 101 4.745 7.953 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.420 9.547 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.106 9.928 0.091 1.00 0.00 H new ATOM 0 HG LEU A 101 2.675 7.395 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.086 8.005 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.037 9.163 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.743 9.566 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.728 6.722 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.568 8.135 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.989 6.841 -0.115 1.00 0.00 H new ATOM 772 N LEU A 102 4.710 10.559 2.401 1.00 0.00 N ATOM 773 CA LEU A 102 4.981 11.582 3.362 1.00 0.00 C ATOM 774 C LEU A 102 3.900 12.617 3.255 1.00 0.00 C ATOM 775 O LEU A 102 4.033 13.623 2.563 1.00 0.00 O ATOM 776 CB LEU A 102 6.361 12.218 3.166 1.00 0.00 C ATOM 777 CG LEU A 102 6.922 12.052 1.750 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.017 12.653 0.674 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.337 12.614 1.593 1.00 0.00 C ATOM 0 H LEU A 102 5.211 10.662 1.518 1.00 0.00 H new ATOM 0 HA LEU A 102 4.992 11.137 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.298 13.281 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.059 11.776 3.877 1.00 0.00 H new ATOM 0 HG LEU A 102 6.964 10.973 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.469 12.503 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.043 12.164 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.893 13.720 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.676 12.465 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.333 13.680 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.011 12.098 2.277 1.00 0.00 H new ATOM 791 N HIS A 103 2.809 12.421 4.020 1.00 0.00 N ATOM 792 CA HIS A 103 1.754 13.391 4.044 1.00 0.00 C ATOM 793 C HIS A 103 2.014 14.304 5.209 1.00 0.00 C ATOM 794 O HIS A 103 1.351 15.326 5.375 1.00 0.00 O ATOM 795 CB HIS A 103 0.360 12.761 4.183 1.00 0.00 C ATOM 796 CG HIS A 103 -0.125 12.128 2.910 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.296 11.420 2.842 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.310 12.277 1.636 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.559 11.157 1.573 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.599 11.661 0.821 1.00 0.00 N ATOM 0 H HIS A 103 2.657 11.605 4.613 1.00 0.00 H new ATOM 0 HA HIS A 103 1.752 13.927 3.095 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.384 12.008 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.350 13.527 4.495 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.870 11.142 3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.208 12.788 1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.421 10.617 1.210 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.544 11.601 -0.196 1.00 0.00 H new ATOM 809 N GLU A 104 3.027 13.963 6.031 1.00 0.00 N ATOM 810 CA GLU A 104 3.395 14.816 7.123 1.00 0.00 C ATOM 811 C GLU A 104 4.821 14.507 7.485 1.00 0.00 C ATOM 812 O GLU A 104 5.214 14.575 8.650 1.00 0.00 O ATOM 813 CB GLU A 104 2.482 14.742 8.354 1.00 0.00 C ATOM 814 CG GLU A 104 2.479 13.377 9.050 1.00 0.00 C ATOM 815 CD GLU A 104 1.755 12.380 8.158 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.494 12.397 8.137 1.00 0.00 O ATOM 817 OE2 GLU A 104 2.442 11.559 7.491 1.00 0.00 O ATOM 0 H GLU A 104 3.583 13.112 5.943 1.00 0.00 H new ATOM 0 HA GLU A 104 3.278 15.845 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.794 15.502 9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.463 14.986 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.500 13.045 9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.984 13.447 10.019 1.00 0.00 H new ATOM 824 N HIS A 105 5.640 14.150 6.476 1.00 0.00 N ATOM 825 CA HIS A 105 7.041 13.945 6.712 1.00 0.00 C ATOM 826 C HIS A 105 7.765 14.509 5.535 1.00 0.00 C ATOM 827 O HIS A 105 7.153 15.052 4.617 1.00 0.00 O ATOM 828 CB HIS A 105 7.479 12.469 6.860 1.00 0.00 C ATOM 829 CG HIS A 105 6.338 11.517 7.056 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.641 11.453 8.233 1.00 0.00 N ATOM 831 CD2 HIS A 105 6.003 10.419 6.347 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.888 10.365 8.217 1.00 0.00 C ATOM 833 NE2 HIS A 105 5.089 9.720 7.080 1.00 0.00 N ATOM 0 H HIS A 105 5.340 14.005 5.512 1.00 0.00 H new ATOM 0 HA HIS A 105 7.271 14.426 7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.037 12.174 5.971 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.160 12.385 7.707 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.693 12.130 8.994 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.388 10.144 5.376 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.218 10.054 9.005 1.00 0.00 H new ATOM 842 N LYS A 106 9.105 14.384 5.538 1.00 0.00 N ATOM 843 CA LYS A 106 9.867 14.737 4.383 1.00 0.00 C ATOM 844 C LYS A 106 10.948 13.718 4.254 1.00 0.00 C ATOM 845 O LYS A 106 11.481 13.231 5.250 1.00 0.00 O ATOM 846 CB LYS A 106 10.527 16.110 4.513 1.00 0.00 C ATOM 847 CG LYS A 106 9.718 17.238 3.868 1.00 0.00 C ATOM 848 CD LYS A 106 9.795 17.250 2.337 1.00 0.00 C ATOM 849 CE LYS A 106 8.939 18.343 1.688 1.00 0.00 C ATOM 850 NZ LYS A 106 9.498 19.659 1.979 1.00 0.00 N ATOM 0 H LYS A 106 9.653 14.044 6.328 1.00 0.00 H new ATOM 0 HA LYS A 106 9.201 14.772 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.673 16.336 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.516 16.074 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.675 17.145 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.076 18.194 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.833 17.386 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.478 16.279 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.895 18.189 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.916 18.284 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.960 20.386 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.440 19.843 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.493 19.688 1.678 1.00 0.00 H new ATOM 864 N GLY A 107 11.248 13.322 3.003 1.00 0.00 N ATOM 865 CA GLY A 107 12.362 12.448 2.761 1.00 0.00 C ATOM 866 C GLY A 107 11.852 11.039 2.725 1.00 0.00 C ATOM 867 O GLY A 107 12.123 10.299 1.781 1.00 0.00 O ATOM 0 H GLY A 107 10.730 13.600 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.846 12.701 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.111 12.561 3.544 1.00 0.00 H new ATOM 871 N LYS A 108 11.136 10.614 3.787 1.00 0.00 N ATOM 872 CA LYS A 108 10.873 9.219 3.960 1.00 0.00 C ATOM 873 C LYS A 108 9.394 9.009 3.838 1.00 0.00 C ATOM 874 O LYS A 108 8.696 9.725 3.123 1.00 0.00 O ATOM 875 CB LYS A 108 11.315 8.729 5.346 1.00 0.00 C ATOM 876 CG LYS A 108 12.791 9.000 5.648 1.00 0.00 C ATOM 877 CD LYS A 108 13.750 8.364 4.635 1.00 0.00 C ATOM 878 CE LYS A 108 15.224 8.511 5.019 1.00 0.00 C ATOM 879 NZ LYS A 108 16.071 7.938 3.977 1.00 0.00 N ATOM 0 H LYS A 108 10.748 11.222 4.509 1.00 0.00 H new ATOM 0 HA LYS A 108 11.428 8.663 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.702 9.213 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.128 7.658 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.958 10.077 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.025 8.623 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.512 7.305 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.589 8.820 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.468 9.564 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.413 8.010 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.070 8.042 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.846 6.929 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.901 8.434 3.079 1.00 0.00 H new ATOM 893 N LYS A 109 8.896 7.996 4.567 1.00 0.00 N ATOM 894 CA LYS A 109 7.553 7.542 4.411 1.00 0.00 C ATOM 895 C LYS A 109 7.167 6.929 5.722 1.00 0.00 C ATOM 896 O LYS A 109 8.023 6.620 6.550 1.00 0.00 O ATOM 897 CB LYS A 109 7.513 6.465 3.323 1.00 0.00 C ATOM 898 CG LYS A 109 7.503 7.001 1.896 1.00 0.00 C ATOM 899 CD LYS A 109 7.006 5.966 0.889 1.00 0.00 C ATOM 900 CE LYS A 109 7.933 4.755 0.764 1.00 0.00 C ATOM 901 NZ LYS A 109 9.135 5.122 0.020 1.00 0.00 N ATOM 0 H LYS A 109 9.431 7.488 5.271 1.00 0.00 H new ATOM 0 HA LYS A 109 6.881 8.353 4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.377 5.812 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.625 5.850 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.868 7.885 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.510 7.316 1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.014 5.627 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.903 6.439 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.205 4.391 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.415 3.941 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.669 4.263 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.865 5.620 -0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.728 5.745 0.604 1.00 0.00 H new ATOM 915 N ALA A 110 5.853 6.745 5.943 1.00 0.00 N ATOM 916 CA ALA A 110 5.394 6.122 7.157 1.00 0.00 C ATOM 917 C ALA A 110 5.185 4.682 6.840 1.00 0.00 C ATOM 918 O ALA A 110 4.548 4.358 5.844 1.00 0.00 O ATOM 919 CB ALA A 110 4.085 6.675 7.725 1.00 0.00 C ATOM 0 H ALA A 110 5.114 7.021 5.296 1.00 0.00 H new ATOM 0 HA ALA A 110 6.148 6.315 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.829 6.138 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.205 7.735 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.288 6.547 6.993 1.00 0.00 H new ATOM 925 N ARG A 111 5.779 3.782 7.648 1.00 0.00 N ATOM 926 CA ARG A 111 5.972 2.449 7.195 1.00 0.00 C ATOM 927 C ARG A 111 4.910 1.607 7.803 1.00 0.00 C ATOM 928 O ARG A 111 4.506 1.807 8.947 1.00 0.00 O ATOM 929 CB ARG A 111 7.341 1.997 7.658 1.00 0.00 C ATOM 930 CG ARG A 111 7.872 0.784 6.910 1.00 0.00 C ATOM 931 CD ARG A 111 7.378 -0.522 7.511 1.00 0.00 C ATOM 932 NE ARG A 111 8.492 -1.509 7.397 1.00 0.00 N ATOM 933 CZ ARG A 111 8.273 -2.837 7.585 1.00 0.00 C ATOM 934 NH1 ARG A 111 7.019 -3.315 7.730 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.315 -3.696 7.529 1.00 0.00 N ATOM 0 H ARG A 111 6.116 3.976 8.591 1.00 0.00 H new ATOM 0 HA ARG A 111 5.916 2.373 6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.044 2.821 7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.296 1.765 8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.565 0.840 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.962 0.799 6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.093 -0.382 8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.493 -0.878 6.984 1.00 0.00 H new ATOM 0 HE ARG A 111 9.432 -1.182 7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.223 -2.677 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.867 -4.314 7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.256 -3.346 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.161 -4.695 7.669 1.00 0.00 H new ATOM 949 N LEU A 112 4.464 0.619 7.016 1.00 0.00 N ATOM 950 CA LEU A 112 3.207 -0.005 7.257 1.00 0.00 C ATOM 951 C LEU A 112 3.451 -1.407 7.672 1.00 0.00 C ATOM 952 O LEU A 112 4.563 -1.931 7.584 1.00 0.00 O ATOM 953 CB LEU A 112 2.435 -0.062 5.938 1.00 0.00 C ATOM 954 CG LEU A 112 1.636 1.209 5.659 1.00 0.00 C ATOM 955 CD1 LEU A 112 2.168 2.451 6.373 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.961 1.236 4.291 1.00 0.00 C ATOM 0 H LEU A 112 4.974 0.252 6.212 1.00 0.00 H new ATOM 0 HA LEU A 112 2.657 0.547 8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.136 -0.231 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.756 -0.915 5.957 1.00 0.00 H new ATOM 0 HG LEU A 112 0.691 1.213 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.545 3.310 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.145 2.289 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.193 2.642 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.415 2.172 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.718 1.156 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.268 0.399 4.211 1.00 0.00 H new ATOM 968 N ASP A 113 2.357 -2.053 8.105 1.00 0.00 N ATOM 969 CA ASP A 113 2.376 -3.465 8.352 1.00 0.00 C ATOM 970 C ASP A 113 1.867 -4.134 7.113 1.00 0.00 C ATOM 971 O ASP A 113 1.440 -3.472 6.178 1.00 0.00 O ATOM 972 CB ASP A 113 1.525 -3.893 9.559 1.00 0.00 C ATOM 973 CG ASP A 113 2.027 -5.246 10.046 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.155 -5.294 10.600 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.310 -6.253 9.801 1.00 0.00 O ATOM 0 H ASP A 113 1.460 -1.603 8.285 1.00 0.00 H new ATOM 0 HA ASP A 113 3.398 -3.758 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.597 -3.153 10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.474 -3.957 9.278 1.00 0.00 H new ATOM 980 N TRP A 114 2.044 -5.468 7.027 1.00 0.00 N ATOM 981 CA TRP A 114 1.553 -6.205 5.913 1.00 0.00 C ATOM 982 C TRP A 114 0.212 -6.766 6.284 1.00 0.00 C ATOM 983 O TRP A 114 -0.534 -7.233 5.427 1.00 0.00 O ATOM 984 CB TRP A 114 2.549 -7.343 5.582 1.00 0.00 C ATOM 985 CG TRP A 114 3.484 -7.018 4.437 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.821 -7.225 4.259 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.014 -6.395 3.250 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.205 -6.749 3.013 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.087 -6.242 2.369 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.748 -6.060 2.965 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.803 -5.692 1.119 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.492 -5.480 1.750 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.479 -5.383 0.798 1.00 0.00 C ATOM 0 H TRP A 114 2.526 -6.029 7.729 1.00 0.00 H new ATOM 0 HA TRP A 114 1.451 -5.568 5.034 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.140 -7.566 6.470 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.988 -8.245 5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.480 -7.689 4.978 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.152 -6.769 2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.952 -6.242 3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.596 -5.508 0.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.505 -5.095 1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.229 -5.066 -0.204 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.182 -6.608 7.561 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.525 -6.921 7.953 1.00 0.00 C ATOM 1006 C ASN A 115 -2.250 -5.626 8.069 1.00 0.00 C ATOM 1007 O ASN A 115 -3.314 -5.549 8.686 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.567 -7.542 9.356 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.609 -8.647 9.367 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.279 -9.832 9.382 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.898 -8.246 9.369 1.00 0.00 N ATOM 0 H ASN A 115 0.418 -6.269 8.313 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.952 -7.612 7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.589 -7.942 9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.813 -6.783 10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.647 -8.938 9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.123 -7.251 9.356 1.00 0.00 H new ATOM 1018 N THR A 116 -1.672 -4.551 7.500 1.00 0.00 N ATOM 1019 CA THR A 116 -2.177 -3.245 7.776 1.00 0.00 C ATOM 1020 C THR A 116 -3.462 -3.073 7.001 1.00 0.00 C ATOM 1021 O THR A 116 -3.651 -3.655 5.937 1.00 0.00 O ATOM 1022 CB THR A 116 -1.126 -2.115 7.732 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.601 -1.890 9.032 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.652 -0.726 7.386 1.00 0.00 C ATOM 0 H THR A 116 -0.875 -4.585 6.865 1.00 0.00 H new ATOM 0 HA THR A 116 -2.440 -3.146 8.829 1.00 0.00 H new ATOM 0 HB THR A 116 -0.431 -2.472 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.338 -0.950 9.120 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.826 -0.014 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.114 -0.747 6.399 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.392 -0.422 8.127 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.412 -2.306 7.572 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.793 -2.373 7.172 1.00 0.00 C ATOM 1034 C ASP A 117 -5.921 -1.976 5.736 1.00 0.00 C ATOM 1035 O ASP A 117 -6.815 -2.457 5.046 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.677 -1.466 8.031 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.235 -1.607 9.482 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -6.763 -2.510 10.177 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -5.344 -0.813 9.899 1.00 0.00 O ATOM 0 H ASP A 117 -4.225 -1.634 8.316 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.129 -3.401 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.588 -0.430 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.725 -1.745 7.924 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.121 -0.987 5.304 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.295 -0.393 4.000 1.00 0.00 C ATOM 1046 C ALA A 118 -6.442 0.570 4.104 1.00 0.00 C ATOM 1047 O ALA A 118 -6.413 1.660 3.542 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.544 -1.335 2.794 1.00 0.00 C ATOM 0 H ALA A 118 -4.354 -0.594 5.849 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.331 0.060 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.655 -0.742 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.699 -2.015 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.453 -1.911 2.964 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.399 0.230 4.985 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.567 1.026 5.205 1.00 0.00 C ATOM 1056 C ALA A 119 -8.233 2.050 6.247 1.00 0.00 C ATOM 1057 O ALA A 119 -8.983 2.998 6.467 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.372 -0.107 5.884 1.00 0.00 C ATOM 0 H ALA A 119 -7.361 -0.614 5.556 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.015 1.548 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.358 0.264 6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.482 -0.941 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.844 -0.444 6.776 1.00 0.00 H new ATOM 1064 N SER A 120 -7.064 1.897 6.900 1.00 0.00 N ATOM 1065 CA SER A 120 -6.628 2.877 7.856 1.00 0.00 C ATOM 1066 C SER A 120 -5.776 3.864 7.119 1.00 0.00 C ATOM 1067 O SER A 120 -5.447 4.929 7.637 1.00 0.00 O ATOM 1068 CB SER A 120 -5.779 2.282 8.988 1.00 0.00 C ATOM 1069 OG SER A 120 -6.563 1.396 9.774 1.00 0.00 O ATOM 0 H SER A 120 -6.429 1.110 6.771 1.00 0.00 H new ATOM 0 HA SER A 120 -7.514 3.321 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 120 -4.924 1.750 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.382 3.081 9.614 1.00 0.00 H new ATOM 0 HG SER A 120 -5.987 0.701 10.156 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.394 3.502 5.879 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.541 4.334 5.079 1.00 0.00 C ATOM 1077 C LEU A 121 -5.398 4.904 4.023 1.00 0.00 C ATOM 1078 O LEU A 121 -4.919 5.473 3.048 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.449 3.502 4.396 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.609 2.700 5.390 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.359 3.476 6.683 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.272 1.384 5.803 1.00 0.00 C ATOM 0 H LEU A 121 -5.676 2.631 5.428 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.064 5.091 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.911 2.819 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.797 4.164 3.826 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.677 2.504 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.759 2.870 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.828 4.400 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.312 3.712 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.629 0.859 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.233 1.593 6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.427 0.762 4.921 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.710 4.761 4.241 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.674 5.077 3.228 1.00 0.00 C ATOM 1096 C ILE A 122 -7.669 6.556 3.025 1.00 0.00 C ATOM 1097 O ILE A 122 -7.655 7.340 3.973 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.086 4.553 3.521 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.788 3.966 2.295 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.031 5.564 4.199 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.365 2.535 1.954 1.00 0.00 C ATOM 0 H ILE A 122 -7.111 4.427 5.117 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.380 4.562 2.313 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.889 3.756 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.865 3.984 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.589 4.606 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.003 5.099 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.609 5.872 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.150 6.437 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.909 2.195 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.294 2.511 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.590 1.879 2.795 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.614 6.949 1.743 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.673 8.339 1.385 1.00 0.00 C ATOM 1115 C GLY A 123 -6.278 8.895 1.443 1.00 0.00 C ATOM 1116 O GLY A 123 -6.089 10.104 1.548 1.00 0.00 O ATOM 0 H GLY A 123 -7.529 6.311 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.089 8.457 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.327 8.881 2.068 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.255 8.019 1.342 1.00 0.00 N ATOM 1121 CA GLU A 124 -3.898 8.477 1.417 1.00 0.00 C ATOM 1122 C GLU A 124 -3.210 8.041 0.157 1.00 0.00 C ATOM 1123 O GLU A 124 -3.848 7.707 -0.842 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.125 7.889 2.609 1.00 0.00 C ATOM 1125 CG GLU A 124 -3.866 8.011 3.948 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.179 9.081 4.788 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.066 10.242 4.308 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -2.692 8.737 5.899 1.00 0.00 O ATOM 0 H GLU A 124 -5.364 7.013 1.211 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.914 9.559 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.919 6.837 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.162 8.393 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.910 8.275 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.859 7.056 4.473 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.865 8.014 0.192 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.106 7.525 -0.923 1.00 0.00 C ATOM 1137 C GLU A 125 -0.083 6.595 -0.375 1.00 0.00 C ATOM 1138 O GLU A 125 0.577 6.905 0.616 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.378 8.617 -1.711 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.281 9.330 -2.720 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.874 10.797 -2.781 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.852 11.455 -1.701 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.562 11.275 -3.901 1.00 0.00 O ATOM 0 H GLU A 125 -1.305 8.328 0.985 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.803 7.054 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.029 9.350 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.468 8.175 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.187 8.870 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.326 9.239 -2.424 1.00 0.00 H new ATOM 1150 N LEU A 126 0.068 5.433 -1.035 1.00 0.00 N ATOM 1151 CA LEU A 126 0.960 4.425 -0.554 1.00 0.00 C ATOM 1152 C LEU A 126 2.100 4.312 -1.513 1.00 0.00 C ATOM 1153 O LEU A 126 2.036 4.773 -2.650 1.00 0.00 O ATOM 1154 CB LEU A 126 0.321 3.032 -0.457 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.314 2.749 0.903 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.752 3.232 1.010 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.121 1.303 1.370 1.00 0.00 C ATOM 0 H LEU A 126 -0.424 5.193 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 126 1.263 4.729 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.439 2.934 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.081 2.277 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 126 0.244 3.358 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.141 2.999 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.787 4.310 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.360 2.734 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.595 1.168 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.574 0.624 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.944 1.087 1.453 1.00 0.00 H new ATOM 1169 N GLN A 127 3.154 3.608 -1.065 1.00 0.00 N ATOM 1170 CA GLN A 127 4.233 3.249 -1.934 1.00 0.00 C ATOM 1171 C GLN A 127 4.841 2.016 -1.351 1.00 0.00 C ATOM 1172 O GLN A 127 4.686 1.740 -0.162 1.00 0.00 O ATOM 1173 CB GLN A 127 5.327 4.324 -2.037 1.00 0.00 C ATOM 1174 CG GLN A 127 6.294 4.124 -3.216 1.00 0.00 C ATOM 1175 CD GLN A 127 7.686 4.565 -2.778 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.911 5.730 -2.448 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.654 3.614 -2.774 1.00 0.00 N ATOM 0 H GLN A 127 3.260 3.287 -0.103 1.00 0.00 H new ATOM 0 HA GLN A 127 3.838 3.114 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.854 5.301 -2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.899 4.335 -1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.307 3.078 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.966 4.705 -4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.432 2.659 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.604 3.855 -2.491 1.00 0.00 H new ATOM 1186 N VAL A 128 5.524 1.222 -2.191 1.00 0.00 N ATOM 1187 CA VAL A 128 6.171 0.040 -1.707 1.00 0.00 C ATOM 1188 C VAL A 128 7.642 0.258 -1.870 1.00 0.00 C ATOM 1189 O VAL A 128 8.075 1.028 -2.722 1.00 0.00 O ATOM 1190 CB VAL A 128 5.725 -1.224 -2.457 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.602 -2.448 -2.186 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.306 -1.675 -2.086 1.00 0.00 C ATOM 0 H VAL A 128 5.629 1.392 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 128 5.902 -0.125 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 128 5.795 -0.913 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.223 -3.300 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.627 -2.236 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.582 -2.681 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.050 -2.572 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.260 -1.891 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.598 -0.882 -2.326 1.00 0.00 H new ATOM 1202 N ASP A 129 8.446 -0.388 -1.006 1.00 0.00 N ATOM 1203 CA ASP A 129 9.866 -0.196 -1.042 1.00 0.00 C ATOM 1204 C ASP A 129 10.493 -1.505 -0.661 1.00 0.00 C ATOM 1205 O ASP A 129 9.847 -2.550 -0.702 1.00 0.00 O ATOM 1206 CB ASP A 129 10.316 0.901 -0.056 1.00 0.00 C ATOM 1207 CG ASP A 129 11.154 1.917 -0.815 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.242 1.524 -1.312 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.726 3.103 -0.879 1.00 0.00 O ATOM 0 H ASP A 129 8.119 -1.036 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 129 10.171 0.124 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.449 1.385 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.895 0.465 0.758 1.00 0.00 H new ATOM 1214 N PHE A 130 11.778 -1.469 -0.246 1.00 0.00 N ATOM 1215 CA PHE A 130 12.475 -2.674 0.107 1.00 0.00 C ATOM 1216 C PHE A 130 11.876 -3.194 1.385 1.00 0.00 C ATOM 1217 O PHE A 130 11.155 -2.483 2.077 1.00 0.00 O ATOM 1218 CB PHE A 130 13.975 -2.437 0.334 1.00 0.00 C ATOM 1219 CG PHE A 130 14.576 -2.045 -0.975 1.00 0.00 C ATOM 1220 CD1 PHE A 130 15.009 -3.020 -1.882 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.728 -0.713 -1.327 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.556 -2.662 -3.100 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.268 -0.357 -2.552 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.683 -1.329 -3.438 1.00 0.00 C ATOM 0 H PHE A 130 12.329 -0.615 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 130 12.373 -3.382 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.130 -1.654 1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.451 -3.339 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.914 -4.065 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.421 0.058 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.885 -3.426 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.364 0.686 -2.814 1.00 0.00 H new ATOM 0 HZ PHE A 130 16.105 -1.049 -4.392 1.00 0.00 H new ATOM 1234 N LEU A 131 12.263 -4.430 1.771 1.00 0.00 N ATOM 1235 CA LEU A 131 11.586 -5.139 2.821 1.00 0.00 C ATOM 1236 C LEU A 131 11.950 -4.532 4.138 1.00 0.00 C ATOM 1237 O LEU A 131 11.363 -4.853 5.168 1.00 0.00 O ATOM 1238 CB LEU A 131 11.958 -6.626 2.866 1.00 0.00 C ATOM 1239 CG LEU A 131 13.233 -6.984 2.089 1.00 0.00 C ATOM 1240 CD1 LEU A 131 14.505 -6.350 2.669 1.00 0.00 C ATOM 1241 CD2 LEU A 131 13.478 -8.494 2.001 1.00 0.00 C ATOM 0 H LEU A 131 13.044 -4.938 1.356 1.00 0.00 H new ATOM 0 HA LEU A 131 10.517 -5.061 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 131 12.085 -6.925 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 131 11.128 -7.208 2.466 1.00 0.00 H new ATOM 0 HG LEU A 131 13.043 -6.576 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 131 15.365 -6.647 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 131 14.410 -5.264 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.644 -6.688 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 131 14.394 -8.682 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 131 13.577 -8.906 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.638 -8.970 1.495 1.00 0.00 H new ATOM 1253 N ASP A 132 12.930 -3.626 4.124 1.00 0.00 N ATOM 1254 CA ASP A 132 13.423 -3.037 5.338 1.00 0.00 C ATOM 1255 C ASP A 132 12.297 -2.147 5.922 1.00 0.00 C ATOM 1256 O ASP A 132 11.611 -2.599 6.886 1.00 0.00 O ATOM 1257 CB ASP A 132 14.672 -2.166 5.130 1.00 0.00 C ATOM 1258 CG ASP A 132 15.702 -2.985 4.365 1.00 0.00 C ATOM 1259 OD1 ASP A 132 15.498 -3.194 3.139 1.00 0.00 O ATOM 1260 OD2 ASP A 132 16.696 -3.423 5.001 1.00 0.00 O ATOM 1261 OXT ASP A 132 12.155 -0.985 5.457 1.00 0.00 O ATOM 0 H ASP A 132 13.389 -3.294 3.276 1.00 0.00 H new ATOM 0 HA ASP A 132 13.708 -3.848 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 132 14.417 -1.263 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 132 15.077 -1.847 6.090 1.00 0.00 H new TER 1266 ASP A 132