USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 778 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 63 GLN : amide:sc= -1.07 K(o=-0.73,f=-7.3!) USER MOD Set 1.2: A 84 ASN : amide:sc= -3.15! C(o=-0.73!,f=-8.7!) USER MOD Set 1.3: A 85 SER OG : rot 107:sc= 2.3 USER MOD Set 1.4: A 89 TYR OH : rot 43:sc= 1.19 USER MOD Set 2.1: A 23 ASN : amide:sc= -2.64 K(o=1.6,f=-0.53) USER MOD Set 2.2: A 59 TYR OH : rot 21:sc= 1.74 USER MOD Set 2.3: A 95 LYS NZ :NH3+ -153:sc= 2.49 (180deg=0.576) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.955 X(o=-5.8,f=-5.8) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0355) USER MOD Set 3.3: A 49 HIS : +bothHN:sc= -4.89! C(o=-5.8!,f=-5.8!) USER MOD Set 4.1: A 35 GLN : amide:sc= 0.93 K(o=5,f=-2.7) USER MOD Set 4.2: A 37 LYS NZ :NH3+ -168:sc= 3.39 (180deg=1.1) USER MOD Set 4.3: A 78 ASN : amide:sc= 0.675 K(o=5,f=-13!) USER MOD Set 5.1: A 18 SER OG : rot -123:sc= 0.129! USER MOD Set 5.2: A 27 TYR OH : rot -104:sc= -0.105 USER MOD Set 6.1: A 5 TYR OH : rot 148:sc= 0.732 USER MOD Set 6.2: A 8 GLN : amide:sc= 1.63 K(o=1.2,f=-2.9) USER MOD Set 6.3: A 12 CYS SG : rot 180:sc= 0 USER MOD Set 6.4: A 13 CYS SG : rot 5:sc= -1.16 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.566 K(o=0.57,f=-0.0049) USER MOD Single : A 7 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= -1! (180deg=-5.02!) USER MOD Single : A 46 MET CE :methyl 180:sc= -1.24 (180deg=-1.24) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 0.716 (180deg=-0.25) USER MOD Single : A 50 ASN : amide:sc= 0.0833 X(o=0.083,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 0.47 (180deg=-0.0104) USER MOD Single : A 76 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 81 TYR OH : rot -30:sc= -3.01! USER MOD Single : A 83 MET CE :methyl -166:sc= 0 (180deg=-0.146) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.107 K(o=-0.11,f=-3.1!) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 1.18 (180deg=0.935) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.143 -27.864 14.633 1.00 0.00 N ATOM 2 CA ALA A 1 3.656 -27.832 14.550 1.00 0.00 C ATOM 3 C ALA A 1 3.180 -27.867 13.096 1.00 0.00 C ATOM 4 O ALA A 1 2.485 -28.800 12.690 1.00 0.00 O ATOM 5 CB ALA A 1 3.112 -26.597 15.259 1.00 0.00 C ATOM 0 H1 ALA A 1 5.436 -27.839 15.631 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.497 -28.736 14.190 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.536 -27.039 14.136 1.00 0.00 H new ATOM 0 HA ALA A 1 3.272 -28.722 15.049 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.024 -26.587 15.190 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.409 -26.619 16.308 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.513 -25.700 14.787 1.00 0.00 H new ATOM 13 N LEU A 2 3.557 -26.850 12.320 1.00 0.00 N ATOM 14 CA LEU A 2 3.168 -26.768 10.912 1.00 0.00 C ATOM 15 C LEU A 2 4.281 -26.137 10.068 1.00 0.00 C ATOM 16 O LEU A 2 5.197 -25.510 10.606 1.00 0.00 O ATOM 17 CB LEU A 2 1.871 -25.961 10.769 1.00 0.00 C ATOM 18 CG LEU A 2 1.962 -24.491 11.193 1.00 0.00 C ATOM 19 CD1 LEU A 2 1.460 -23.582 10.083 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.174 -24.257 12.473 1.00 0.00 C ATOM 0 H LEU A 2 4.131 -26.072 12.643 1.00 0.00 H new ATOM 0 HA LEU A 2 3.000 -27.781 10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.550 -26.002 9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.095 -26.445 11.361 1.00 0.00 H new ATOM 0 HG LEU A 2 3.008 -24.252 11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.533 -22.543 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.067 -23.730 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.420 -23.821 9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.249 -23.208 12.760 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.128 -24.514 12.308 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.580 -24.881 13.269 1.00 0.00 H new ATOM 32 N PRO A 3 4.215 -26.294 8.730 1.00 0.00 N ATOM 33 CA PRO A 3 5.215 -25.740 7.817 1.00 0.00 C ATOM 34 C PRO A 3 4.903 -24.299 7.404 1.00 0.00 C ATOM 35 O PRO A 3 3.937 -23.700 7.883 1.00 0.00 O ATOM 36 CB PRO A 3 5.136 -26.679 6.614 1.00 0.00 C ATOM 37 CG PRO A 3 3.729 -27.195 6.602 1.00 0.00 C ATOM 38 CD PRO A 3 3.162 -27.024 7.999 1.00 0.00 C ATOM 0 HA PRO A 3 6.204 -25.685 8.273 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.369 -26.152 5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.853 -27.495 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.128 -26.648 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.709 -28.244 6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.227 -26.464 7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.949 -27.987 8.463 1.00 0.00 H new ATOM 46 N LEU A 4 5.728 -23.750 6.510 1.00 0.00 N ATOM 47 CA LEU A 4 5.542 -22.379 6.028 1.00 0.00 C ATOM 48 C LEU A 4 4.275 -22.255 5.178 1.00 0.00 C ATOM 49 O LEU A 4 3.659 -23.260 4.812 1.00 0.00 O ATOM 50 CB LEU A 4 6.767 -21.924 5.222 1.00 0.00 C ATOM 51 CG LEU A 4 7.084 -22.761 3.978 1.00 0.00 C ATOM 52 CD1 LEU A 4 6.735 -21.993 2.712 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.551 -23.164 3.967 1.00 0.00 C ATOM 0 H LEU A 4 6.530 -24.233 6.105 1.00 0.00 H new ATOM 0 HA LEU A 4 5.430 -21.732 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.614 -20.890 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.637 -21.936 5.878 1.00 0.00 H new ATOM 0 HG LEU A 4 6.477 -23.665 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.967 -22.604 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.672 -21.753 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.315 -21.071 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.759 -23.758 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.174 -22.270 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.773 -23.754 4.856 1.00 0.00 H new ATOM 65 N TYR A 5 3.890 -21.013 4.873 1.00 0.00 N ATOM 66 CA TYR A 5 2.693 -20.740 4.070 1.00 0.00 C ATOM 67 C TYR A 5 2.679 -21.572 2.784 1.00 0.00 C ATOM 68 O TYR A 5 3.467 -21.333 1.868 1.00 0.00 O ATOM 69 CB TYR A 5 2.612 -19.248 3.727 1.00 0.00 C ATOM 70 CG TYR A 5 1.196 -18.732 3.571 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.461 -19.002 2.423 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.600 -17.974 4.569 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.829 -18.529 2.276 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.690 -17.498 4.429 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.400 -17.778 3.280 1.00 0.00 C ATOM 76 OH TYR A 5 -2.683 -17.303 3.133 1.00 0.00 O ATOM 0 H TYR A 5 4.392 -20.177 5.171 1.00 0.00 H new ATOM 0 HA TYR A 5 1.824 -21.021 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.113 -18.677 4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.159 -19.067 2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.905 -19.591 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.153 -17.752 5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.387 -18.747 1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.140 -16.910 5.215 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.118 -17.259 4.010 1.00 0.00 H new ATOM 86 N ASN A 6 1.775 -22.551 2.731 1.00 0.00 N ATOM 87 CA ASN A 6 1.647 -23.424 1.565 1.00 0.00 C ATOM 88 C ASN A 6 0.177 -23.643 1.204 1.00 0.00 C ATOM 89 O ASN A 6 -0.264 -23.273 0.116 1.00 0.00 O ATOM 90 CB ASN A 6 2.327 -24.771 1.832 1.00 0.00 C ATOM 91 CG ASN A 6 3.793 -24.769 1.445 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.143 -25.037 0.297 1.00 0.00 O ATOM 93 ND2 ASN A 6 4.661 -24.467 2.403 1.00 0.00 N ATOM 0 H ASN A 6 1.119 -22.759 3.484 1.00 0.00 H new ATOM 0 HA ASN A 6 2.139 -22.937 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.234 -25.018 2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.809 -25.552 1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.660 -24.451 2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.329 -24.251 3.343 1.00 0.00 H new ATOM 100 N GLN A 7 -0.576 -24.245 2.127 1.00 0.00 N ATOM 101 CA GLN A 7 -1.997 -24.513 1.910 1.00 0.00 C ATOM 102 C GLN A 7 -2.843 -23.887 3.018 1.00 0.00 C ATOM 103 O GLN A 7 -2.794 -24.324 4.170 1.00 0.00 O ATOM 104 CB GLN A 7 -2.251 -26.022 1.843 1.00 0.00 C ATOM 105 CG GLN A 7 -1.561 -26.707 0.671 1.00 0.00 C ATOM 106 CD GLN A 7 -0.798 -27.952 1.086 1.00 0.00 C ATOM 107 OE1 GLN A 7 -1.138 -29.063 0.684 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.240 -27.774 1.894 1.00 0.00 N ATOM 0 H GLN A 7 -0.224 -24.556 3.032 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.286 -24.064 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.911 -26.480 2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.324 -26.198 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.306 -26.975 -0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.874 -26.005 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.489 -26.835 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.788 -28.576 2.204 1.00 0.00 H new ATOM 117 N GLN A 8 -3.614 -22.861 2.663 1.00 0.00 N ATOM 118 CA GLN A 8 -4.470 -22.171 3.625 1.00 0.00 C ATOM 119 C GLN A 8 -5.892 -22.018 3.082 1.00 0.00 C ATOM 120 O GLN A 8 -6.087 -21.612 1.935 1.00 0.00 O ATOM 121 CB GLN A 8 -3.885 -20.797 3.964 1.00 0.00 C ATOM 122 CG GLN A 8 -4.403 -20.217 5.272 1.00 0.00 C ATOM 123 CD GLN A 8 -4.975 -18.823 5.104 1.00 0.00 C ATOM 124 OE1 GLN A 8 -4.264 -17.828 5.240 1.00 0.00 O ATOM 125 NE2 GLN A 8 -6.266 -18.743 4.806 1.00 0.00 N ATOM 0 H GLN A 8 -3.663 -22.489 1.715 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.514 -22.773 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.799 -20.877 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.114 -20.105 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.171 -20.875 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.592 -20.188 5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.819 -19.594 4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.705 -17.831 4.681 1.00 0.00 H new ATOM 134 N VAL A 9 -6.879 -22.351 3.914 1.00 0.00 N ATOM 135 CA VAL A 9 -8.283 -22.256 3.520 1.00 0.00 C ATOM 136 C VAL A 9 -9.107 -21.532 4.587 1.00 0.00 C ATOM 137 O VAL A 9 -9.419 -22.101 5.635 1.00 0.00 O ATOM 138 CB VAL A 9 -8.897 -23.650 3.264 1.00 0.00 C ATOM 139 CG1 VAL A 9 -10.299 -23.525 2.684 1.00 0.00 C ATOM 140 CG2 VAL A 9 -8.008 -24.472 2.339 1.00 0.00 C ATOM 0 H VAL A 9 -6.731 -22.689 4.865 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.312 -21.684 2.593 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.967 -24.168 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.712 -24.519 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.936 -22.984 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.255 -22.982 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.461 -25.450 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.900 -23.956 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.027 -24.599 2.796 1.00 0.00 H new ATOM 150 N GLY A 10 -9.452 -20.275 4.309 1.00 0.00 N ATOM 151 CA GLY A 10 -10.235 -19.487 5.247 1.00 0.00 C ATOM 152 C GLY A 10 -10.463 -18.066 4.764 1.00 0.00 C ATOM 153 O GLY A 10 -10.380 -17.790 3.565 1.00 0.00 O ATOM 0 H GLY A 10 -9.202 -19.788 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.198 -19.971 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.725 -19.463 6.210 1.00 0.00 H new ATOM 157 N ASP A 11 -10.744 -17.160 5.698 1.00 0.00 N ATOM 158 CA ASP A 11 -10.978 -15.758 5.360 1.00 0.00 C ATOM 159 C ASP A 11 -9.740 -14.912 5.663 1.00 0.00 C ATOM 160 O ASP A 11 -9.802 -13.943 6.425 1.00 0.00 O ATOM 161 CB ASP A 11 -12.197 -15.215 6.116 1.00 0.00 C ATOM 162 CG ASP A 11 -12.803 -13.998 5.439 1.00 0.00 C ATOM 163 OD1 ASP A 11 -12.335 -12.869 5.706 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.743 -14.174 4.636 1.00 0.00 O ATOM 0 H ASP A 11 -10.815 -17.371 6.693 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.180 -15.697 4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.952 -15.998 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.904 -14.953 7.133 1.00 0.00 H new ATOM 169 N CYS A 12 -8.613 -15.277 5.055 1.00 0.00 N ATOM 170 CA CYS A 12 -7.367 -14.545 5.254 1.00 0.00 C ATOM 171 C CYS A 12 -6.294 -14.977 4.258 1.00 0.00 C ATOM 172 O CYS A 12 -6.275 -16.121 3.800 1.00 0.00 O ATOM 173 CB CYS A 12 -6.856 -14.732 6.683 1.00 0.00 C ATOM 174 SG CYS A 12 -6.763 -16.455 7.226 1.00 0.00 S ATOM 0 H CYS A 12 -8.538 -16.074 4.422 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.580 -13.490 5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.865 -14.285 6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.508 -14.184 7.363 1.00 0.00 H new ATOM 0 HG CYS A 12 -6.317 -16.502 8.446 1.00 0.00 H new ATOM 180 N CYS A 13 -5.399 -14.046 3.932 1.00 0.00 N ATOM 181 CA CYS A 13 -4.310 -14.308 2.994 1.00 0.00 C ATOM 182 C CYS A 13 -3.132 -13.362 3.253 1.00 0.00 C ATOM 183 O CYS A 13 -3.132 -12.609 4.228 1.00 0.00 O ATOM 184 CB CYS A 13 -4.811 -14.164 1.552 1.00 0.00 C ATOM 185 SG CYS A 13 -4.282 -15.501 0.455 1.00 0.00 S ATOM 0 H CYS A 13 -5.408 -13.097 4.307 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.961 -15.330 3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.900 -14.122 1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.458 -13.215 1.148 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.645 -16.401 1.144 1.00 0.00 H new ATOM 191 N ILE A 14 -2.131 -13.400 2.372 1.00 0.00 N ATOM 192 CA ILE A 14 -0.958 -12.538 2.508 1.00 0.00 C ATOM 193 C ILE A 14 -0.742 -11.716 1.253 1.00 0.00 C ATOM 194 O ILE A 14 -1.035 -12.163 0.142 1.00 0.00 O ATOM 195 CB ILE A 14 0.345 -13.316 2.814 1.00 0.00 C ATOM 196 CG1 ILE A 14 0.153 -14.833 2.711 1.00 0.00 C ATOM 197 CG2 ILE A 14 0.869 -12.939 4.189 1.00 0.00 C ATOM 198 CD1 ILE A 14 0.418 -15.380 1.324 1.00 0.00 C ATOM 0 H ILE A 14 -2.110 -14.017 1.560 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.172 -11.891 3.359 1.00 0.00 H new ATOM 0 HB ILE A 14 1.079 -13.034 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.818 -15.325 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.867 -15.083 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.786 -13.492 4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.077 -11.869 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.121 -13.184 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.264 -16.459 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.265 -14.915 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.446 -15.160 1.037 1.00 0.00 H new ATOM 210 N ILE A 15 -0.227 -10.510 1.441 1.00 0.00 N ATOM 211 CA ILE A 15 0.032 -9.613 0.328 1.00 0.00 C ATOM 212 C ILE A 15 1.297 -8.800 0.547 1.00 0.00 C ATOM 213 O ILE A 15 1.536 -8.289 1.642 1.00 0.00 O ATOM 214 CB ILE A 15 -1.118 -8.619 0.094 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.438 -9.102 0.693 1.00 0.00 C ATOM 216 CG2 ILE A 15 -1.293 -8.350 -1.393 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.479 -8.009 0.736 1.00 0.00 C ATOM 0 H ILE A 15 0.020 -10.131 2.355 1.00 0.00 H new ATOM 0 HA ILE A 15 0.139 -10.260 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.846 -7.695 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.817 -9.939 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.262 -9.474 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.111 -7.645 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.373 -7.929 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.521 -9.284 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.399 -8.400 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.114 -7.182 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.676 -7.655 -0.276 1.00 0.00 H new ATOM 229 N ARG A 16 2.079 -8.652 -0.515 1.00 0.00 N ATOM 230 CA ARG A 16 3.301 -7.866 -0.466 1.00 0.00 C ATOM 231 C ARG A 16 2.993 -6.434 -0.902 1.00 0.00 C ATOM 232 O ARG A 16 2.867 -6.147 -2.092 1.00 0.00 O ATOM 233 CB ARG A 16 4.379 -8.518 -1.341 1.00 0.00 C ATOM 234 CG ARG A 16 5.740 -7.845 -1.268 1.00 0.00 C ATOM 235 CD ARG A 16 6.870 -8.864 -1.258 1.00 0.00 C ATOM 236 NE ARG A 16 6.848 -9.720 -2.448 1.00 0.00 N ATOM 237 CZ ARG A 16 7.187 -9.314 -3.674 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.611 -8.073 -3.883 1.00 0.00 N ATOM 239 NH2 ARG A 16 7.104 -10.155 -4.693 1.00 0.00 N ATOM 0 H ARG A 16 1.885 -9.070 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 16 3.689 -7.833 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.487 -9.562 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.040 -8.514 -2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.861 -7.175 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.795 -7.231 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.826 -8.344 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.792 -9.483 -0.364 1.00 0.00 H new ATOM 0 HE ARG A 16 6.554 -10.690 -2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.680 -7.420 -3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.867 -7.773 -4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.782 -11.111 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.362 -9.847 -5.631 1.00 0.00 H new ATOM 253 N VAL A 17 2.824 -5.554 0.088 1.00 0.00 N ATOM 254 CA VAL A 17 2.479 -4.152 -0.160 1.00 0.00 C ATOM 255 C VAL A 17 3.714 -3.299 -0.477 1.00 0.00 C ATOM 256 O VAL A 17 4.823 -3.604 -0.036 1.00 0.00 O ATOM 257 CB VAL A 17 1.770 -3.518 1.067 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.713 -3.401 2.260 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.199 -2.151 0.714 1.00 0.00 C ATOM 0 H VAL A 17 2.921 -5.790 1.076 1.00 0.00 H new ATOM 0 HA VAL A 17 1.811 -4.160 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 17 0.951 -4.180 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.183 -2.953 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.068 -4.392 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.563 -2.774 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.707 -1.725 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.006 -1.491 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.475 -2.257 -0.094 1.00 0.00 H new ATOM 269 N SER A 18 3.503 -2.209 -1.218 1.00 0.00 N ATOM 270 CA SER A 18 4.582 -1.282 -1.572 1.00 0.00 C ATOM 271 C SER A 18 4.066 0.154 -1.630 1.00 0.00 C ATOM 272 O SER A 18 3.083 0.440 -2.310 1.00 0.00 O ATOM 273 CB SER A 18 5.208 -1.654 -2.916 1.00 0.00 C ATOM 274 OG SER A 18 4.219 -1.776 -3.926 1.00 0.00 O ATOM 0 H SER A 18 2.589 -1.945 -1.587 1.00 0.00 H new ATOM 0 HA SER A 18 5.344 -1.356 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.935 -0.894 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.751 -2.594 -2.820 1.00 0.00 H new ATOM 0 HG SER A 18 4.265 -2.671 -4.322 1.00 0.00 H new ATOM 280 N LEU A 19 4.734 1.056 -0.919 1.00 0.00 N ATOM 281 CA LEU A 19 4.333 2.463 -0.901 1.00 0.00 C ATOM 282 C LEU A 19 5.107 3.263 -1.949 1.00 0.00 C ATOM 283 O LEU A 19 6.316 3.085 -2.107 1.00 0.00 O ATOM 284 CB LEU A 19 4.550 3.061 0.491 1.00 0.00 C ATOM 285 CG LEU A 19 3.354 2.925 1.437 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.684 2.003 2.601 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.924 4.291 1.942 1.00 0.00 C ATOM 0 H LEU A 19 5.552 0.842 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 19 3.272 2.518 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.415 2.580 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.793 4.118 0.384 1.00 0.00 H new ATOM 0 HG LEU A 19 2.527 2.483 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.818 1.923 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.943 1.015 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.527 2.409 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.073 4.179 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.750 4.757 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.640 4.918 1.097 1.00 0.00 H new ATOM 299 N ASP A 20 4.401 4.139 -2.674 1.00 0.00 N ATOM 300 CA ASP A 20 5.033 4.950 -3.717 1.00 0.00 C ATOM 301 C ASP A 20 4.261 6.248 -3.986 1.00 0.00 C ATOM 302 O ASP A 20 3.707 6.444 -5.070 1.00 0.00 O ATOM 303 CB ASP A 20 5.153 4.131 -5.003 1.00 0.00 C ATOM 304 CG ASP A 20 5.980 4.825 -6.070 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.174 5.093 -5.817 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.431 5.097 -7.159 1.00 0.00 O ATOM 0 H ASP A 20 3.401 4.302 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 20 6.025 5.232 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.603 3.166 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.156 3.932 -5.396 1.00 0.00 H new ATOM 311 N VAL A 21 4.246 7.135 -2.997 1.00 0.00 N ATOM 312 CA VAL A 21 3.565 8.428 -3.121 1.00 0.00 C ATOM 313 C VAL A 21 4.279 9.496 -2.295 1.00 0.00 C ATOM 314 O VAL A 21 5.046 10.295 -2.833 1.00 0.00 O ATOM 315 CB VAL A 21 2.078 8.342 -2.701 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.407 9.706 -2.789 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.340 7.333 -3.561 1.00 0.00 C ATOM 0 H VAL A 21 4.698 6.985 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 21 3.599 8.707 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 21 2.039 8.010 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.363 9.618 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.917 10.406 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.460 10.072 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.296 7.286 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.395 7.636 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.798 6.351 -3.444 1.00 0.00 H new ATOM 327 N ASP A 22 4.036 9.489 -0.989 1.00 0.00 N ATOM 328 CA ASP A 22 4.667 10.439 -0.077 1.00 0.00 C ATOM 329 C ASP A 22 5.628 9.723 0.878 1.00 0.00 C ATOM 330 O ASP A 22 6.255 10.356 1.730 1.00 0.00 O ATOM 331 CB ASP A 22 3.599 11.196 0.719 1.00 0.00 C ATOM 332 CG ASP A 22 2.681 12.017 -0.168 1.00 0.00 C ATOM 333 OD1 ASP A 22 3.138 13.049 -0.701 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.506 11.626 -0.326 1.00 0.00 O ATOM 0 H ASP A 22 3.402 8.832 -0.535 1.00 0.00 H new ATOM 0 HA ASP A 22 5.241 11.152 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.004 10.483 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.086 11.854 1.439 1.00 0.00 H new ATOM 339 N ASN A 23 5.737 8.399 0.728 1.00 0.00 N ATOM 340 CA ASN A 23 6.613 7.591 1.570 1.00 0.00 C ATOM 341 C ASN A 23 7.266 6.474 0.750 1.00 0.00 C ATOM 342 O ASN A 23 6.743 5.360 0.669 1.00 0.00 O ATOM 343 CB ASN A 23 5.820 6.996 2.740 1.00 0.00 C ATOM 344 CG ASN A 23 4.884 8.003 3.392 1.00 0.00 C ATOM 345 OD1 ASN A 23 3.732 8.146 2.980 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.369 8.710 4.407 1.00 0.00 N ATOM 0 H ASN A 23 5.225 7.865 0.026 1.00 0.00 H new ATOM 0 HA ASN A 23 7.400 8.232 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.239 6.145 2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.516 6.616 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.781 9.401 4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.329 8.562 4.719 1.00 0.00 H new ATOM 353 N GLY A 24 8.407 6.789 0.135 1.00 0.00 N ATOM 354 CA GLY A 24 9.118 5.816 -0.682 1.00 0.00 C ATOM 355 C GLY A 24 9.751 4.708 0.139 1.00 0.00 C ATOM 356 O GLY A 24 10.898 4.826 0.572 1.00 0.00 O ATOM 0 H GLY A 24 8.853 7.705 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.426 5.378 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.893 6.326 -1.254 1.00 0.00 H new ATOM 360 N ASN A 25 8.998 3.629 0.354 1.00 0.00 N ATOM 361 CA ASN A 25 9.487 2.491 1.130 1.00 0.00 C ATOM 362 C ASN A 25 9.541 1.217 0.282 1.00 0.00 C ATOM 363 O ASN A 25 8.954 1.148 -0.799 1.00 0.00 O ATOM 364 CB ASN A 25 8.597 2.267 2.356 1.00 0.00 C ATOM 365 CG ASN A 25 9.402 1.966 3.608 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.416 0.833 4.090 1.00 0.00 O ATOM 367 ND2 ASN A 25 10.084 2.975 4.140 1.00 0.00 N ATOM 0 H ASN A 25 8.047 3.520 0.001 1.00 0.00 H new ATOM 0 HA ASN A 25 10.501 2.721 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.986 3.154 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.913 1.441 2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.645 2.825 4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.046 3.899 3.710 1.00 0.00 H new ATOM 374 N MET A 26 10.253 0.210 0.789 1.00 0.00 N ATOM 375 CA MET A 26 10.395 -1.070 0.090 1.00 0.00 C ATOM 376 C MET A 26 9.167 -1.963 0.299 1.00 0.00 C ATOM 377 O MET A 26 8.347 -1.710 1.188 1.00 0.00 O ATOM 378 CB MET A 26 11.664 -1.792 0.571 1.00 0.00 C ATOM 379 CG MET A 26 12.769 -1.850 -0.473 1.00 0.00 C ATOM 380 SD MET A 26 12.416 -3.022 -1.797 1.00 0.00 S ATOM 381 CE MET A 26 13.600 -4.315 -1.431 1.00 0.00 C ATOM 0 H MET A 26 10.742 0.255 1.683 1.00 0.00 H new ATOM 0 HA MET A 26 10.479 -0.864 -0.977 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.043 -1.288 1.460 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.403 -2.808 0.867 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.911 -0.858 -0.901 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.706 -2.126 0.011 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.504 -5.115 -2.166 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.609 -3.906 -1.470 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.408 -4.713 -0.435 1.00 0.00 H new ATOM 391 N TYR A 27 9.049 -3.008 -0.526 1.00 0.00 N ATOM 392 CA TYR A 27 7.926 -3.946 -0.439 1.00 0.00 C ATOM 393 C TYR A 27 7.881 -4.620 0.932 1.00 0.00 C ATOM 394 O TYR A 27 8.922 -4.891 1.533 1.00 0.00 O ATOM 395 CB TYR A 27 8.036 -5.023 -1.527 1.00 0.00 C ATOM 396 CG TYR A 27 7.113 -4.812 -2.708 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.732 -4.879 -2.563 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.628 -4.557 -3.973 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.893 -4.696 -3.648 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.794 -4.375 -5.059 1.00 0.00 C ATOM 401 CZ TYR A 27 5.429 -4.445 -4.891 1.00 0.00 C ATOM 402 OH TYR A 27 4.595 -4.264 -5.971 1.00 0.00 O ATOM 0 H TYR A 27 9.719 -3.226 -1.263 1.00 0.00 H new ATOM 0 HA TYR A 27 7.009 -3.376 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.065 -5.056 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.822 -5.995 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.308 -5.077 -1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.698 -4.500 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.822 -4.750 -3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.211 -4.179 -6.036 1.00 0.00 H new ATOM 0 HH TYR A 27 4.598 -5.072 -6.526 1.00 0.00 H new ATOM 412 N LYS A 28 6.670 -4.897 1.413 1.00 0.00 N ATOM 413 CA LYS A 28 6.485 -5.549 2.712 1.00 0.00 C ATOM 414 C LYS A 28 5.211 -6.396 2.702 1.00 0.00 C ATOM 415 O LYS A 28 4.121 -5.876 2.467 1.00 0.00 O ATOM 416 CB LYS A 28 6.399 -4.511 3.847 1.00 0.00 C ATOM 417 CG LYS A 28 7.609 -3.590 3.971 1.00 0.00 C ATOM 418 CD LYS A 28 8.848 -4.335 4.446 1.00 0.00 C ATOM 419 CE LYS A 28 10.125 -3.613 4.036 1.00 0.00 C ATOM 420 NZ LYS A 28 10.178 -2.219 4.569 1.00 0.00 N ATOM 0 H LYS A 28 5.801 -4.681 0.924 1.00 0.00 H new ATOM 0 HA LYS A 28 7.349 -6.190 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.510 -3.899 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.264 -5.038 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.813 -3.127 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.381 -2.784 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.819 -4.437 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.849 -5.343 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.989 -4.172 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.193 -3.588 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.111 -1.806 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.440 -1.645 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.020 -2.234 5.597 1.00 0.00 H new ATOM 434 N SER A 29 5.342 -7.697 2.961 1.00 0.00 N ATOM 435 CA SER A 29 4.178 -8.580 2.981 1.00 0.00 C ATOM 436 C SER A 29 3.502 -8.538 4.351 1.00 0.00 C ATOM 437 O SER A 29 4.173 -8.527 5.387 1.00 0.00 O ATOM 438 CB SER A 29 4.579 -10.020 2.617 1.00 0.00 C ATOM 439 OG SER A 29 4.304 -10.932 3.671 1.00 0.00 O ATOM 0 H SER A 29 6.231 -8.158 3.157 1.00 0.00 H new ATOM 0 HA SER A 29 3.467 -8.228 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.042 -10.330 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.642 -10.051 2.379 1.00 0.00 H new ATOM 0 HG SER A 29 4.571 -11.835 3.400 1.00 0.00 H new ATOM 445 N ILE A 30 2.174 -8.503 4.346 1.00 0.00 N ATOM 446 CA ILE A 30 1.396 -8.448 5.584 1.00 0.00 C ATOM 447 C ILE A 30 0.207 -9.410 5.534 1.00 0.00 C ATOM 448 O ILE A 30 -0.461 -9.531 4.503 1.00 0.00 O ATOM 449 CB ILE A 30 0.857 -7.019 5.869 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.655 -5.940 5.117 1.00 0.00 C ATOM 451 CG2 ILE A 30 0.857 -6.729 7.365 1.00 0.00 C ATOM 452 CD1 ILE A 30 3.038 -5.684 5.683 1.00 0.00 C ATOM 0 H ILE A 30 1.610 -8.512 3.496 1.00 0.00 H new ATOM 0 HA ILE A 30 2.077 -8.740 6.384 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.169 -6.986 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.751 -6.237 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.090 -5.008 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.476 -5.723 7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.221 -7.452 7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.874 -6.804 7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.534 -4.911 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.952 -5.355 6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.624 -6.602 5.642 1.00 0.00 H new ATOM 464 N LEU A 31 -0.063 -10.082 6.656 1.00 0.00 N ATOM 465 CA LEU A 31 -1.187 -11.014 6.735 1.00 0.00 C ATOM 466 C LEU A 31 -2.498 -10.240 6.821 1.00 0.00 C ATOM 467 O LEU A 31 -2.682 -9.406 7.708 1.00 0.00 O ATOM 468 CB LEU A 31 -1.044 -11.949 7.943 1.00 0.00 C ATOM 469 CG LEU A 31 -0.194 -13.195 7.694 1.00 0.00 C ATOM 470 CD1 LEU A 31 0.891 -13.326 8.752 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.068 -14.442 7.668 1.00 0.00 C ATOM 0 H LEU A 31 0.478 -9.998 7.516 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.189 -11.626 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.607 -11.388 8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.038 -12.263 8.261 1.00 0.00 H new ATOM 0 HG LEU A 31 0.287 -13.091 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.484 -14.219 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.536 -12.448 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.431 -13.405 9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.446 -15.319 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.579 -14.548 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.806 -14.353 6.871 1.00 0.00 H new ATOM 483 N VAL A 32 -3.395 -10.503 5.876 1.00 0.00 N ATOM 484 CA VAL A 32 -4.683 -9.814 5.817 1.00 0.00 C ATOM 485 C VAL A 32 -5.846 -10.803 5.745 1.00 0.00 C ATOM 486 O VAL A 32 -5.639 -12.008 5.602 1.00 0.00 O ATOM 487 CB VAL A 32 -4.753 -8.877 4.587 1.00 0.00 C ATOM 488 CG1 VAL A 32 -5.658 -7.686 4.859 1.00 0.00 C ATOM 489 CG2 VAL A 32 -3.366 -8.401 4.175 1.00 0.00 C ATOM 0 H VAL A 32 -3.254 -11.191 5.137 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.769 -9.228 6.732 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.176 -9.452 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.689 -7.044 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.664 -8.038 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.271 -7.121 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.449 -7.745 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.908 -7.856 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.747 -9.261 3.921 1.00 0.00 H new ATOM 499 N THR A 33 -7.071 -10.284 5.830 1.00 0.00 N ATOM 500 CA THR A 33 -8.265 -11.120 5.756 1.00 0.00 C ATOM 501 C THR A 33 -8.812 -11.146 4.328 1.00 0.00 C ATOM 502 O THR A 33 -8.443 -10.311 3.497 1.00 0.00 O ATOM 503 CB THR A 33 -9.345 -10.618 6.721 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.831 -9.343 6.327 1.00 0.00 O ATOM 505 CG2 THR A 33 -8.868 -10.511 8.154 1.00 0.00 C ATOM 0 H THR A 33 -7.260 -9.289 5.950 1.00 0.00 H new ATOM 0 HA THR A 33 -7.985 -12.133 6.047 1.00 0.00 H new ATOM 0 HB THR A 33 -10.136 -11.366 6.675 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.520 -9.046 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.682 -10.150 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.546 -11.492 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.032 -9.814 8.208 1.00 0.00 H new ATOM 513 N SER A 34 -9.696 -12.101 4.047 1.00 0.00 N ATOM 514 CA SER A 34 -10.296 -12.226 2.718 1.00 0.00 C ATOM 515 C SER A 34 -11.348 -11.140 2.480 1.00 0.00 C ATOM 516 O SER A 34 -11.663 -10.815 1.334 1.00 0.00 O ATOM 517 CB SER A 34 -10.916 -13.615 2.532 1.00 0.00 C ATOM 518 OG SER A 34 -9.915 -14.595 2.308 1.00 0.00 O ATOM 0 H SER A 34 -10.013 -12.799 4.720 1.00 0.00 H new ATOM 0 HA SER A 34 -9.502 -12.096 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.496 -13.879 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.608 -13.598 1.690 1.00 0.00 H new ATOM 0 HG SER A 34 -10.336 -15.473 2.194 1.00 0.00 H new ATOM 524 N GLN A 35 -11.882 -10.576 3.567 1.00 0.00 N ATOM 525 CA GLN A 35 -12.886 -9.525 3.480 1.00 0.00 C ATOM 526 C GLN A 35 -12.371 -8.225 4.106 1.00 0.00 C ATOM 527 O GLN A 35 -13.121 -7.497 4.762 1.00 0.00 O ATOM 528 CB GLN A 35 -14.173 -9.981 4.172 1.00 0.00 C ATOM 529 CG GLN A 35 -15.405 -9.892 3.287 1.00 0.00 C ATOM 530 CD GLN A 35 -16.226 -8.643 3.550 1.00 0.00 C ATOM 531 OE1 GLN A 35 -16.295 -7.750 2.707 1.00 0.00 O ATOM 532 NE2 GLN A 35 -16.845 -8.565 4.724 1.00 0.00 N ATOM 0 H GLN A 35 -11.630 -10.835 4.521 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.097 -9.330 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.050 -11.011 4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.331 -9.373 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.098 -9.906 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.028 -10.772 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.762 -9.328 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.403 -7.742 4.953 1.00 0.00 H new ATOM 541 N ASP A 36 -11.084 -7.940 3.895 1.00 0.00 N ATOM 542 CA ASP A 36 -10.461 -6.732 4.437 1.00 0.00 C ATOM 543 C ASP A 36 -11.004 -5.473 3.756 1.00 0.00 C ATOM 544 O ASP A 36 -11.716 -5.553 2.751 1.00 0.00 O ATOM 545 CB ASP A 36 -8.939 -6.807 4.285 1.00 0.00 C ATOM 546 CG ASP A 36 -8.203 -6.015 5.346 1.00 0.00 C ATOM 547 OD1 ASP A 36 -8.290 -6.389 6.533 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.532 -5.024 4.989 1.00 0.00 O ATOM 0 H ASP A 36 -10.453 -8.530 3.352 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.708 -6.672 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.625 -7.850 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.658 -6.434 3.300 1.00 0.00 H new ATOM 553 N LYS A 37 -10.673 -4.313 4.321 1.00 0.00 N ATOM 554 CA LYS A 37 -11.133 -3.034 3.779 1.00 0.00 C ATOM 555 C LYS A 37 -10.012 -1.994 3.797 1.00 0.00 C ATOM 556 O LYS A 37 -9.097 -2.079 4.615 1.00 0.00 O ATOM 557 CB LYS A 37 -12.333 -2.511 4.578 1.00 0.00 C ATOM 558 CG LYS A 37 -13.369 -3.575 4.924 1.00 0.00 C ATOM 559 CD LYS A 37 -14.463 -3.657 3.873 1.00 0.00 C ATOM 560 CE LYS A 37 -14.966 -5.082 3.702 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.452 -5.705 2.452 1.00 0.00 N ATOM 0 H LYS A 37 -10.089 -4.232 5.153 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.436 -3.202 2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.971 -2.060 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.819 -1.720 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.879 -4.544 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.812 -3.349 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.292 -3.009 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.083 -3.288 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.659 -5.681 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.056 -5.083 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.969 -6.588 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.588 -5.050 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.439 -5.914 2.559 1.00 0.00 H new ATOM 575 N ALA A 38 -10.097 -1.019 2.886 1.00 0.00 N ATOM 576 CA ALA A 38 -9.090 0.051 2.778 1.00 0.00 C ATOM 577 C ALA A 38 -8.520 0.479 4.138 1.00 0.00 C ATOM 578 O ALA A 38 -7.315 0.355 4.368 1.00 0.00 O ATOM 579 CB ALA A 38 -9.675 1.257 2.056 1.00 0.00 C ATOM 0 H ALA A 38 -10.855 -0.946 2.208 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.261 -0.359 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.920 2.039 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.991 0.964 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.534 1.632 2.612 1.00 0.00 H new ATOM 585 N PRO A 39 -9.368 1.003 5.053 1.00 0.00 N ATOM 586 CA PRO A 39 -8.922 1.457 6.378 1.00 0.00 C ATOM 587 C PRO A 39 -8.065 0.421 7.106 1.00 0.00 C ATOM 588 O PRO A 39 -7.075 0.768 7.755 1.00 0.00 O ATOM 589 CB PRO A 39 -10.225 1.723 7.150 1.00 0.00 C ATOM 590 CG PRO A 39 -11.341 1.243 6.275 1.00 0.00 C ATOM 591 CD PRO A 39 -10.811 1.211 4.868 1.00 0.00 C ATOM 0 HA PRO A 39 -8.284 2.337 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.226 1.196 8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.335 2.784 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.675 0.253 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.202 1.907 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.262 0.407 4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.018 2.141 4.339 1.00 0.00 H new ATOM 599 N ALA A 40 -8.441 -0.848 6.982 1.00 0.00 N ATOM 600 CA ALA A 40 -7.700 -1.935 7.613 1.00 0.00 C ATOM 601 C ALA A 40 -6.413 -2.235 6.844 1.00 0.00 C ATOM 602 O ALA A 40 -5.384 -2.553 7.444 1.00 0.00 O ATOM 603 CB ALA A 40 -8.567 -3.182 7.715 1.00 0.00 C ATOM 0 H ALA A 40 -9.257 -1.150 6.449 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.427 -1.621 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.998 -3.983 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.451 -2.962 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.873 -3.495 6.717 1.00 0.00 H new ATOM 609 N VAL A 41 -6.476 -2.128 5.513 1.00 0.00 N ATOM 610 CA VAL A 41 -5.316 -2.382 4.658 1.00 0.00 C ATOM 611 C VAL A 41 -4.143 -1.493 5.053 1.00 0.00 C ATOM 612 O VAL A 41 -3.048 -1.985 5.330 1.00 0.00 O ATOM 613 CB VAL A 41 -5.636 -2.143 3.166 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.397 -2.365 2.308 1.00 0.00 C ATOM 615 CG2 VAL A 41 -6.774 -3.035 2.700 1.00 0.00 C ATOM 0 H VAL A 41 -7.321 -1.866 5.005 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.051 -3.430 4.799 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.953 -1.106 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.644 -2.192 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.613 -1.673 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.046 -3.389 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.977 -2.845 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.495 -4.080 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.668 -2.821 3.286 1.00 0.00 H new ATOM 625 N ILE A 42 -4.381 -0.180 5.082 1.00 0.00 N ATOM 626 CA ILE A 42 -3.339 0.770 5.453 1.00 0.00 C ATOM 627 C ILE A 42 -2.858 0.509 6.877 1.00 0.00 C ATOM 628 O ILE A 42 -1.666 0.608 7.158 1.00 0.00 O ATOM 629 CB ILE A 42 -3.820 2.231 5.328 1.00 0.00 C ATOM 630 CG1 ILE A 42 -4.086 2.580 3.861 1.00 0.00 C ATOM 631 CG2 ILE A 42 -2.793 3.188 5.920 1.00 0.00 C ATOM 632 CD1 ILE A 42 -5.543 2.838 3.551 1.00 0.00 C ATOM 0 H ILE A 42 -5.280 0.244 4.854 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.512 0.626 4.758 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.750 2.335 5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.506 3.464 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.729 1.764 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.151 4.213 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.644 2.955 6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.848 3.082 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.653 3.079 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.128 1.948 3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.901 3.674 4.152 1.00 0.00 H new ATOM 644 N ARG A 43 -3.791 0.160 7.766 1.00 0.00 N ATOM 645 CA ARG A 43 -3.451 -0.130 9.158 1.00 0.00 C ATOM 646 C ARG A 43 -2.365 -1.203 9.242 1.00 0.00 C ATOM 647 O ARG A 43 -1.370 -1.032 9.946 1.00 0.00 O ATOM 648 CB ARG A 43 -4.696 -0.575 9.935 1.00 0.00 C ATOM 649 CG ARG A 43 -4.870 0.134 11.271 1.00 0.00 C ATOM 650 CD ARG A 43 -5.339 1.571 11.089 1.00 0.00 C ATOM 651 NE ARG A 43 -6.655 1.642 10.451 1.00 0.00 N ATOM 652 CZ ARG A 43 -7.789 1.952 11.085 1.00 0.00 C ATOM 653 NH1 ARG A 43 -7.797 2.196 12.390 1.00 0.00 N ATOM 654 NH2 ARG A 43 -8.923 2.009 10.404 1.00 0.00 N ATOM 0 H ARG A 43 -4.783 0.072 7.547 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.066 0.785 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.579 -0.397 9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.640 -1.650 10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.592 -0.410 11.880 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.924 0.126 11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.380 2.065 12.060 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.613 2.115 10.485 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.710 1.441 9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.929 2.148 12.923 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.671 2.431 12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.927 1.817 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.793 2.245 10.881 1.00 0.00 H new ATOM 668 N LYS A 44 -2.553 -2.304 8.508 1.00 0.00 N ATOM 669 CA LYS A 44 -1.577 -3.394 8.499 1.00 0.00 C ATOM 670 C LYS A 44 -0.279 -2.958 7.815 1.00 0.00 C ATOM 671 O LYS A 44 0.817 -3.236 8.312 1.00 0.00 O ATOM 672 CB LYS A 44 -2.154 -4.629 7.797 1.00 0.00 C ATOM 673 CG LYS A 44 -2.818 -5.611 8.752 1.00 0.00 C ATOM 674 CD LYS A 44 -3.707 -6.601 8.014 1.00 0.00 C ATOM 675 CE LYS A 44 -5.110 -6.053 7.812 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.169 -5.079 6.686 1.00 0.00 N ATOM 0 H LYS A 44 -3.368 -2.462 7.916 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.352 -3.652 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.883 -4.308 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.354 -5.140 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.052 -6.153 9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.413 -5.062 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.265 -6.836 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.758 -7.534 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.797 -6.876 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.446 -5.569 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.117 -5.099 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.970 -4.123 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.461 -5.335 5.968 1.00 0.00 H new ATOM 690 N ALA A 45 -0.406 -2.265 6.681 1.00 0.00 N ATOM 691 CA ALA A 45 0.760 -1.784 5.944 1.00 0.00 C ATOM 692 C ALA A 45 1.550 -0.764 6.768 1.00 0.00 C ATOM 693 O ALA A 45 2.778 -0.739 6.709 1.00 0.00 O ATOM 694 CB ALA A 45 0.341 -1.191 4.602 1.00 0.00 C ATOM 0 H ALA A 45 -1.302 -2.026 6.256 1.00 0.00 H new ATOM 0 HA ALA A 45 1.413 -2.635 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.224 -0.838 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.161 -1.954 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.339 -0.356 4.770 1.00 0.00 H new ATOM 700 N MET A 46 0.840 0.064 7.545 1.00 0.00 N ATOM 701 CA MET A 46 1.486 1.074 8.390 1.00 0.00 C ATOM 702 C MET A 46 2.308 0.409 9.495 1.00 0.00 C ATOM 703 O MET A 46 3.359 0.916 9.878 1.00 0.00 O ATOM 704 CB MET A 46 0.443 2.033 8.994 1.00 0.00 C ATOM 705 CG MET A 46 0.008 1.683 10.411 1.00 0.00 C ATOM 706 SD MET A 46 -1.618 2.341 10.823 1.00 0.00 S ATOM 707 CE MET A 46 -1.914 1.534 12.394 1.00 0.00 C ATOM 0 H MET A 46 -0.178 0.054 7.605 1.00 0.00 H new ATOM 0 HA MET A 46 2.161 1.657 7.763 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.853 3.043 8.993 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.436 2.045 8.350 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.004 0.599 10.526 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.742 2.070 11.118 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.886 1.839 12.782 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.902 0.453 12.256 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.135 1.818 13.101 1.00 0.00 H new ATOM 717 N ASP A 47 1.837 -0.739 9.994 1.00 0.00 N ATOM 718 CA ASP A 47 2.561 -1.466 11.036 1.00 0.00 C ATOM 719 C ASP A 47 3.937 -1.878 10.518 1.00 0.00 C ATOM 720 O ASP A 47 4.930 -1.822 11.248 1.00 0.00 O ATOM 721 CB ASP A 47 1.769 -2.695 11.496 1.00 0.00 C ATOM 722 CG ASP A 47 0.628 -2.334 12.429 1.00 0.00 C ATOM 723 OD1 ASP A 47 0.889 -1.697 13.470 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.527 -2.689 12.116 1.00 0.00 O ATOM 0 H ASP A 47 0.967 -1.179 9.695 1.00 0.00 H new ATOM 0 HA ASP A 47 2.688 -0.809 11.896 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.371 -3.214 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.441 -3.389 12.001 1.00 0.00 H new ATOM 729 N LYS A 48 3.994 -2.255 9.239 1.00 0.00 N ATOM 730 CA LYS A 48 5.255 -2.631 8.607 1.00 0.00 C ATOM 731 C LYS A 48 5.976 -1.377 8.100 1.00 0.00 C ATOM 732 O LYS A 48 7.208 -1.339 8.044 1.00 0.00 O ATOM 733 CB LYS A 48 5.027 -3.619 7.452 1.00 0.00 C ATOM 734 CG LYS A 48 5.803 -4.920 7.602 1.00 0.00 C ATOM 735 CD LYS A 48 7.298 -4.672 7.754 1.00 0.00 C ATOM 736 CE LYS A 48 7.731 -4.728 9.214 1.00 0.00 C ATOM 737 NZ LYS A 48 8.376 -3.458 9.660 1.00 0.00 N ATOM 0 H LYS A 48 3.182 -2.307 8.624 1.00 0.00 H new ATOM 0 HA LYS A 48 5.877 -3.128 9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.963 -3.846 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.312 -3.141 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.435 -5.465 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.626 -5.551 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.851 -5.417 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.550 -3.697 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.863 -4.932 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.427 -5.555 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.214 -3.325 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.398 -3.504 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.966 -2.658 9.137 1.00 0.00 H new ATOM 751 N HIS A 49 5.191 -0.352 7.750 1.00 0.00 N ATOM 752 CA HIS A 49 5.712 0.913 7.266 1.00 0.00 C ATOM 753 C HIS A 49 5.443 2.011 8.291 1.00 0.00 C ATOM 754 O HIS A 49 4.831 3.033 7.975 1.00 0.00 O ATOM 755 CB HIS A 49 5.039 1.280 5.953 1.00 0.00 C ATOM 756 CG HIS A 49 5.356 0.362 4.823 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.606 -0.751 4.518 1.00 0.00 N ATOM 758 CD2 HIS A 49 6.345 0.411 3.913 1.00 0.00 C ATOM 759 CE1 HIS A 49 5.125 -1.347 3.460 1.00 0.00 C ATOM 760 NE2 HIS A 49 6.183 -0.660 3.073 1.00 0.00 N ATOM 0 H HIS A 49 4.173 -0.386 7.798 1.00 0.00 H new ATOM 0 HA HIS A 49 6.786 0.815 7.110 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.959 1.293 6.103 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.335 2.292 5.677 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.781 -1.065 5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.124 1.157 3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.748 -2.244 2.991 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.782 -0.888 2.279 1.00 0.00 H new ATOM 769 N ASN A 50 5.880 1.785 9.526 1.00 0.00 N ATOM 770 CA ASN A 50 5.674 2.747 10.612 1.00 0.00 C ATOM 771 C ASN A 50 6.523 4.009 10.404 1.00 0.00 C ATOM 772 O ASN A 50 7.291 4.409 11.284 1.00 0.00 O ATOM 773 CB ASN A 50 5.992 2.100 11.974 1.00 0.00 C ATOM 774 CG ASN A 50 5.216 2.721 13.132 1.00 0.00 C ATOM 775 OD1 ASN A 50 4.521 2.016 13.861 1.00 0.00 O ATOM 776 ND2 ASN A 50 5.323 4.040 13.321 1.00 0.00 N ATOM 0 H ASN A 50 6.381 0.941 9.804 1.00 0.00 H new ATOM 0 HA ASN A 50 4.625 3.043 10.604 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.766 1.035 11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.060 2.191 12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.820 4.488 14.087 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.908 4.599 12.699 1.00 0.00 H new ATOM 783 N LEU A 51 6.376 4.633 9.234 1.00 0.00 N ATOM 784 CA LEU A 51 7.119 5.850 8.903 1.00 0.00 C ATOM 785 C LEU A 51 6.210 6.868 8.209 1.00 0.00 C ATOM 786 O LEU A 51 6.271 7.043 6.991 1.00 0.00 O ATOM 787 CB LEU A 51 8.324 5.519 8.012 1.00 0.00 C ATOM 788 CG LEU A 51 9.192 4.350 8.489 1.00 0.00 C ATOM 789 CD1 LEU A 51 9.135 3.200 7.494 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.628 4.803 8.703 1.00 0.00 C ATOM 0 H LEU A 51 5.747 4.314 8.497 1.00 0.00 H new ATOM 0 HA LEU A 51 7.483 6.290 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.962 5.295 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.951 6.407 7.934 1.00 0.00 H new ATOM 0 HG LEU A 51 8.799 3.997 9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.758 2.379 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.105 2.857 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.501 3.539 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.229 3.959 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.033 5.184 7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.653 5.591 9.456 1.00 0.00 H new ATOM 802 N GLU A 52 5.372 7.540 9.001 1.00 0.00 N ATOM 803 CA GLU A 52 4.445 8.546 8.483 1.00 0.00 C ATOM 804 C GLU A 52 3.527 7.968 7.398 1.00 0.00 C ATOM 805 O GLU A 52 3.151 8.661 6.448 1.00 0.00 O ATOM 806 CB GLU A 52 5.234 9.731 7.937 1.00 0.00 C ATOM 807 CG GLU A 52 5.947 10.536 9.014 1.00 0.00 C ATOM 808 CD GLU A 52 7.364 10.054 9.261 1.00 0.00 C ATOM 809 OE1 GLU A 52 8.282 10.524 8.556 1.00 0.00 O ATOM 810 OE2 GLU A 52 7.556 9.208 10.159 1.00 0.00 O ATOM 0 H GLU A 52 5.317 7.404 10.010 1.00 0.00 H new ATOM 0 HA GLU A 52 3.808 8.877 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.970 9.367 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.556 10.388 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.970 11.586 8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.380 10.476 9.943 1.00 0.00 H new ATOM 817 N GLU A 53 3.168 6.695 7.556 1.00 0.00 N ATOM 818 CA GLU A 53 2.293 6.010 6.608 1.00 0.00 C ATOM 819 C GLU A 53 1.094 5.384 7.333 1.00 0.00 C ATOM 820 O GLU A 53 0.707 4.247 7.049 1.00 0.00 O ATOM 821 CB GLU A 53 3.083 4.936 5.847 1.00 0.00 C ATOM 822 CG GLU A 53 4.213 5.500 4.996 1.00 0.00 C ATOM 823 CD GLU A 53 5.407 4.567 4.887 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.128 4.402 5.892 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.628 4.009 3.793 1.00 0.00 O ATOM 0 H GLU A 53 3.472 6.114 8.337 1.00 0.00 H new ATOM 0 HA GLU A 53 1.913 6.740 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.498 4.226 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.399 4.380 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.834 5.712 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.540 6.449 5.421 1.00 0.00 H new ATOM 832 N GLU A 54 0.515 6.136 8.277 1.00 0.00 N ATOM 833 CA GLU A 54 -0.624 5.665 9.051 1.00 0.00 C ATOM 834 C GLU A 54 -1.882 6.493 8.740 1.00 0.00 C ATOM 835 O GLU A 54 -2.260 7.399 9.486 1.00 0.00 O ATOM 836 CB GLU A 54 -0.272 5.705 10.550 1.00 0.00 C ATOM 837 CG GLU A 54 -1.468 5.828 11.478 1.00 0.00 C ATOM 838 CD GLU A 54 -1.153 5.430 12.909 1.00 0.00 C ATOM 839 OE1 GLU A 54 -0.224 6.020 13.502 1.00 0.00 O ATOM 840 OE2 GLU A 54 -1.843 4.534 13.441 1.00 0.00 O ATOM 0 H GLU A 54 0.824 7.078 8.519 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.848 4.635 8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.277 4.799 10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.399 6.545 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.827 6.857 11.464 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.278 5.202 11.103 1.00 0.00 H new ATOM 847 N GLU A 55 -2.526 6.163 7.622 1.00 0.00 N ATOM 848 CA GLU A 55 -3.746 6.848 7.187 1.00 0.00 C ATOM 849 C GLU A 55 -4.697 5.849 6.515 1.00 0.00 C ATOM 850 O GLU A 55 -4.549 5.542 5.330 1.00 0.00 O ATOM 851 CB GLU A 55 -3.412 7.991 6.225 1.00 0.00 C ATOM 852 CG GLU A 55 -2.446 9.021 6.796 1.00 0.00 C ATOM 853 CD GLU A 55 -1.133 9.077 6.041 1.00 0.00 C ATOM 854 OE1 GLU A 55 -0.324 8.132 6.175 1.00 0.00 O ATOM 855 OE2 GLU A 55 -0.911 10.063 5.308 1.00 0.00 O ATOM 0 H GLU A 55 -2.221 5.419 6.995 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.237 7.272 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.983 7.572 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.336 8.494 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.915 10.005 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.249 8.787 7.842 1.00 0.00 H new ATOM 862 N PRO A 56 -5.669 5.302 7.276 1.00 0.00 N ATOM 863 CA PRO A 56 -6.624 4.300 6.764 1.00 0.00 C ATOM 864 C PRO A 56 -7.533 4.795 5.635 1.00 0.00 C ATOM 865 O PRO A 56 -7.857 4.034 4.723 1.00 0.00 O ATOM 866 CB PRO A 56 -7.463 3.933 7.996 1.00 0.00 C ATOM 867 CG PRO A 56 -7.272 5.055 8.954 1.00 0.00 C ATOM 868 CD PRO A 56 -5.891 5.588 8.706 1.00 0.00 C ATOM 0 HA PRO A 56 -6.085 3.466 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.514 3.815 7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.134 2.988 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.022 5.831 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.377 4.710 9.983 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.828 6.655 8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.150 5.094 9.335 1.00 0.00 H new ATOM 876 N GLU A 57 -7.964 6.049 5.707 1.00 0.00 N ATOM 877 CA GLU A 57 -8.858 6.608 4.692 1.00 0.00 C ATOM 878 C GLU A 57 -8.163 7.648 3.803 1.00 0.00 C ATOM 879 O GLU A 57 -8.807 8.579 3.308 1.00 0.00 O ATOM 880 CB GLU A 57 -10.078 7.231 5.369 1.00 0.00 C ATOM 881 CG GLU A 57 -9.737 8.434 6.230 1.00 0.00 C ATOM 882 CD GLU A 57 -9.513 8.070 7.684 1.00 0.00 C ATOM 883 OE1 GLU A 57 -10.511 7.840 8.400 1.00 0.00 O ATOM 884 OE2 GLU A 57 -8.340 8.014 8.105 1.00 0.00 O ATOM 0 H GLU A 57 -7.712 6.698 6.453 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.167 5.789 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.795 7.531 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.567 6.477 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.840 8.913 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.544 9.164 6.163 1.00 0.00 H new ATOM 891 N ASP A 58 -6.852 7.501 3.604 1.00 0.00 N ATOM 892 CA ASP A 58 -6.100 8.447 2.785 1.00 0.00 C ATOM 893 C ASP A 58 -5.284 7.772 1.679 1.00 0.00 C ATOM 894 O ASP A 58 -4.494 8.440 1.011 1.00 0.00 O ATOM 895 CB ASP A 58 -5.158 9.244 3.679 1.00 0.00 C ATOM 896 CG ASP A 58 -5.121 10.719 3.328 1.00 0.00 C ATOM 897 OD1 ASP A 58 -6.205 11.319 3.152 1.00 0.00 O ATOM 898 OD2 ASP A 58 -4.008 11.275 3.219 1.00 0.00 O ATOM 0 H ASP A 58 -6.295 6.742 3.996 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.828 9.095 2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.468 9.130 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.152 8.831 3.599 1.00 0.00 H new ATOM 903 N TYR A 59 -5.429 6.459 1.497 1.00 0.00 N ATOM 904 CA TYR A 59 -4.639 5.761 0.491 1.00 0.00 C ATOM 905 C TYR A 59 -5.462 5.057 -0.577 1.00 0.00 C ATOM 906 O TYR A 59 -6.662 4.828 -0.432 1.00 0.00 O ATOM 907 CB TYR A 59 -3.744 4.745 1.178 1.00 0.00 C ATOM 908 CG TYR A 59 -2.555 5.368 1.846 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.722 6.357 2.800 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.270 4.966 1.528 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.646 6.934 3.419 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.178 5.538 2.149 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.371 6.523 3.095 1.00 0.00 C ATOM 914 OH TYR A 59 0.714 7.097 3.717 1.00 0.00 O ATOM 0 H TYR A 59 -6.074 5.870 2.023 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.060 6.527 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.326 4.199 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.401 4.016 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.719 6.679 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.120 4.196 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.795 7.708 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.821 5.216 1.896 1.00 0.00 H new ATOM 0 HH TYR A 59 0.429 7.507 4.560 1.00 0.00 H new ATOM 924 N GLU A 60 -4.758 4.683 -1.638 1.00 0.00 N ATOM 925 CA GLU A 60 -5.330 3.959 -2.761 1.00 0.00 C ATOM 926 C GLU A 60 -4.589 2.640 -2.917 1.00 0.00 C ATOM 927 O GLU A 60 -3.368 2.585 -2.745 1.00 0.00 O ATOM 928 CB GLU A 60 -5.225 4.773 -4.050 1.00 0.00 C ATOM 929 CG GLU A 60 -6.520 5.465 -4.428 1.00 0.00 C ATOM 930 CD GLU A 60 -6.509 5.992 -5.848 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.028 7.126 -6.059 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.978 5.271 -6.754 1.00 0.00 O ATOM 0 H GLU A 60 -3.762 4.877 -1.742 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.387 3.777 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.441 5.521 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.922 4.115 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.348 4.766 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.700 6.291 -3.740 1.00 0.00 H new ATOM 939 N LEU A 61 -5.318 1.578 -3.218 1.00 0.00 N ATOM 940 CA LEU A 61 -4.700 0.269 -3.360 1.00 0.00 C ATOM 941 C LEU A 61 -4.521 -0.131 -4.820 1.00 0.00 C ATOM 942 O LEU A 61 -5.450 -0.044 -5.623 1.00 0.00 O ATOM 943 CB LEU A 61 -5.524 -0.787 -2.623 1.00 0.00 C ATOM 944 CG LEU A 61 -4.863 -1.359 -1.371 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.474 -0.754 -0.118 1.00 0.00 C ATOM 946 CD2 LEU A 61 -4.987 -2.876 -1.355 1.00 0.00 C ATOM 0 H LEU A 61 -6.327 1.594 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.706 0.331 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.482 -0.349 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.737 -1.606 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.804 -1.100 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.989 -1.175 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.332 0.327 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.540 -0.979 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.511 -3.270 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.041 -3.155 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.498 -3.290 -2.236 1.00 0.00 H new ATOM 958 N LEU A 62 -3.317 -0.598 -5.140 1.00 0.00 N ATOM 959 CA LEU A 62 -2.983 -1.055 -6.487 1.00 0.00 C ATOM 960 C LEU A 62 -2.445 -2.481 -6.416 1.00 0.00 C ATOM 961 O LEU A 62 -1.944 -2.894 -5.375 1.00 0.00 O ATOM 962 CB LEU A 62 -1.949 -0.128 -7.135 1.00 0.00 C ATOM 963 CG LEU A 62 -2.336 1.352 -7.183 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.843 2.079 -5.940 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.777 2.005 -8.438 1.00 0.00 C ATOM 0 H LEU A 62 -2.547 -0.670 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.883 -1.036 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.009 -0.223 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.765 -0.472 -8.153 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.423 1.421 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.129 3.129 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.289 1.628 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.757 2.001 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.061 3.057 -8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.690 1.922 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.179 1.504 -9.319 1.00 0.00 H new ATOM 977 N GLN A 63 -2.549 -3.243 -7.504 1.00 0.00 N ATOM 978 CA GLN A 63 -2.060 -4.622 -7.492 1.00 0.00 C ATOM 979 C GLN A 63 -1.432 -5.043 -8.812 1.00 0.00 C ATOM 980 O GLN A 63 -1.961 -4.771 -9.888 1.00 0.00 O ATOM 981 CB GLN A 63 -3.183 -5.599 -7.130 1.00 0.00 C ATOM 982 CG GLN A 63 -2.823 -6.527 -5.978 1.00 0.00 C ATOM 983 CD GLN A 63 -2.197 -7.832 -6.437 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.152 -7.836 -7.078 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.827 -8.949 -6.101 1.00 0.00 N ATOM 0 H GLN A 63 -2.958 -2.938 -8.387 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.281 -4.655 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.077 -5.033 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.431 -6.198 -8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.131 -6.015 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.722 -6.745 -5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.695 -8.904 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.444 -9.853 -6.377 1.00 0.00 H new ATOM 994 N ILE A 64 -0.310 -5.744 -8.696 1.00 0.00 N ATOM 995 CA ILE A 64 0.416 -6.266 -9.842 1.00 0.00 C ATOM 996 C ILE A 64 0.165 -7.773 -9.945 1.00 0.00 C ATOM 997 O ILE A 64 0.550 -8.536 -9.051 1.00 0.00 O ATOM 998 CB ILE A 64 1.930 -6.010 -9.704 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.234 -4.512 -9.811 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.705 -6.794 -10.757 1.00 0.00 C ATOM 1001 CD1 ILE A 64 3.411 -4.074 -8.967 1.00 0.00 C ATOM 0 H ILE A 64 0.122 -5.966 -7.799 1.00 0.00 H new ATOM 0 HA ILE A 64 0.063 -5.758 -10.739 1.00 0.00 H new ATOM 0 HB ILE A 64 2.249 -6.354 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.432 -4.263 -10.854 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.351 -3.948 -9.510 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.772 -6.600 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.514 -7.860 -10.631 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.384 -6.483 -11.751 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.569 -3.003 -9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.208 -4.292 -7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.305 -4.612 -9.283 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.499 -8.192 -11.021 1.00 0.00 N ATOM 1014 CA LEU A 65 -0.822 -9.596 -11.225 1.00 0.00 C ATOM 1015 C LEU A 65 -0.379 -10.071 -12.613 1.00 0.00 C ATOM 1016 O LEU A 65 0.400 -9.400 -13.293 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.335 -9.796 -11.033 1.00 0.00 C ATOM 1018 CG LEU A 65 -2.864 -9.424 -9.642 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.118 -8.569 -9.736 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.143 -10.675 -8.832 1.00 0.00 C ATOM 0 H LEU A 65 -0.823 -7.574 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.282 -10.196 -10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.863 -9.200 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.577 -10.840 -11.230 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.095 -8.838 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.467 -8.323 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.892 -7.650 -10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.895 -9.120 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.518 -10.395 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.889 -11.282 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.223 -11.249 -8.720 1.00 0.00 H new ATOM 1032 N SER A 66 -0.887 -11.228 -13.026 1.00 0.00 N ATOM 1033 CA SER A 66 -0.568 -11.805 -14.330 1.00 0.00 C ATOM 1034 C SER A 66 -1.742 -11.601 -15.275 1.00 0.00 C ATOM 1035 O SER A 66 -1.641 -10.864 -16.259 1.00 0.00 O ATOM 1036 CB SER A 66 -0.240 -13.297 -14.197 1.00 0.00 C ATOM 1037 OG SER A 66 -1.208 -13.967 -13.403 1.00 0.00 O ATOM 0 H SER A 66 -1.529 -11.791 -12.469 1.00 0.00 H new ATOM 0 HA SER A 66 0.311 -11.303 -14.735 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.199 -13.753 -15.186 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.747 -13.417 -13.750 1.00 0.00 H new ATOM 0 HG SER A 66 -0.976 -14.917 -13.336 1.00 0.00 H new ATOM 1043 N ASP A 67 -2.869 -12.228 -14.942 1.00 0.00 N ATOM 1044 CA ASP A 67 -4.090 -12.088 -15.730 1.00 0.00 C ATOM 1045 C ASP A 67 -4.599 -10.644 -15.659 1.00 0.00 C ATOM 1046 O ASP A 67 -5.368 -10.202 -16.514 1.00 0.00 O ATOM 1047 CB ASP A 67 -5.165 -13.054 -15.229 1.00 0.00 C ATOM 1048 CG ASP A 67 -4.767 -14.508 -15.400 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -3.986 -15.013 -14.566 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -5.238 -15.143 -16.368 1.00 0.00 O ATOM 0 H ASP A 67 -2.961 -12.839 -14.130 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.864 -12.332 -16.768 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.363 -12.857 -14.175 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.094 -12.869 -15.768 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.139 -9.910 -14.638 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.510 -8.518 -14.443 1.00 0.00 C ATOM 1057 C ASP A 68 -3.257 -7.698 -14.131 1.00 0.00 C ATOM 1058 O ASP A 68 -3.195 -6.997 -13.119 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.540 -8.396 -13.316 1.00 0.00 C ATOM 1060 CG ASP A 68 -6.802 -9.187 -13.600 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -6.836 -10.391 -13.268 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -7.755 -8.605 -14.160 1.00 0.00 O ATOM 0 H ASP A 68 -3.501 -10.271 -13.929 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.965 -8.131 -15.355 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.097 -8.745 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.796 -7.346 -13.174 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.260 -7.836 -15.019 1.00 0.00 N ATOM 1068 CA ARG A 69 -0.949 -7.166 -14.918 1.00 0.00 C ATOM 1069 C ARG A 69 -0.869 -6.136 -13.790 1.00 0.00 C ATOM 1070 O ARG A 69 -0.123 -6.328 -12.832 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.562 -6.515 -16.257 1.00 0.00 C ATOM 1072 CG ARG A 69 -1.742 -6.049 -17.112 1.00 0.00 C ATOM 1073 CD ARG A 69 -1.869 -6.842 -18.409 1.00 0.00 C ATOM 1074 NE ARG A 69 -0.574 -7.080 -19.055 1.00 0.00 N ATOM 1075 CZ ARG A 69 0.099 -8.234 -18.998 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -0.371 -9.262 -18.298 1.00 0.00 N ATOM 1077 NH2 ARG A 69 1.252 -8.355 -19.640 1.00 0.00 N ATOM 0 H ARG A 69 -2.342 -8.428 -15.845 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.234 -7.951 -14.672 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.082 -5.659 -16.055 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.027 -7.228 -16.834 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.664 -6.146 -16.538 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.622 -4.991 -17.346 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.348 -7.799 -18.200 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.520 -6.303 -19.097 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.158 -6.313 -19.584 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.255 -9.176 -17.796 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.152 -10.137 -18.263 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.623 -7.570 -20.175 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.769 -9.233 -19.599 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.631 -5.055 -13.899 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.634 -4.018 -12.870 1.00 0.00 C ATOM 1093 C LYS A 70 -3.019 -3.390 -12.728 1.00 0.00 C ATOM 1094 O LYS A 70 -3.617 -2.946 -13.710 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.598 -2.939 -13.188 1.00 0.00 C ATOM 1096 CG LYS A 70 0.738 -3.138 -12.488 1.00 0.00 C ATOM 1097 CD LYS A 70 1.685 -3.986 -13.325 1.00 0.00 C ATOM 1098 CE LYS A 70 2.576 -3.125 -14.205 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.817 -2.699 -13.496 1.00 0.00 N ATOM 0 H LYS A 70 -2.254 -4.872 -14.686 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.371 -4.489 -11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.432 -2.915 -14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.003 -1.967 -12.906 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.195 -2.168 -12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.576 -3.617 -11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.303 -4.598 -12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.108 -4.669 -13.948 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.844 -3.681 -15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.023 -2.244 -14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.396 -2.114 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.563 -2.146 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.359 -3.539 -13.209 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.520 -3.359 -11.497 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.834 -2.791 -11.198 1.00 0.00 C ATOM 1115 C LEU A 71 -4.734 -1.756 -10.077 1.00 0.00 C ATOM 1116 O LEU A 71 -3.796 -1.785 -9.281 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.806 -3.912 -10.801 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.621 -4.466 -9.385 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -6.470 -3.697 -8.385 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.961 -5.947 -9.346 1.00 0.00 C ATOM 0 H LEU A 71 -3.030 -3.725 -10.680 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.209 -2.291 -12.091 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.825 -3.538 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.699 -4.732 -11.511 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.575 -4.342 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.321 -4.110 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.177 -2.647 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.522 -3.782 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.824 -6.325 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.998 -6.090 -9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.305 -6.489 -10.027 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.704 -0.842 -10.015 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.716 0.189 -8.986 1.00 0.00 C ATOM 1134 C LYS A 72 -7.148 0.533 -8.574 1.00 0.00 C ATOM 1135 O LYS A 72 -8.023 0.720 -9.422 1.00 0.00 O ATOM 1136 CB LYS A 72 -4.983 1.438 -9.482 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.336 2.705 -8.719 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.676 3.932 -9.332 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.226 4.922 -8.269 1.00 0.00 C ATOM 1140 NZ LYS A 72 -4.730 6.301 -8.538 1.00 0.00 N ATOM 0 H LYS A 72 -6.488 -0.798 -10.666 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.197 -0.195 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.909 1.269 -9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.211 1.586 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.418 2.838 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.023 2.604 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.817 3.623 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.376 4.420 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.580 4.591 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.137 4.936 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.847 6.809 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.048 6.809 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.646 6.247 -9.027 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.372 0.614 -7.266 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.689 0.934 -6.723 1.00 0.00 C ATOM 1156 C ILE A 73 -8.626 2.175 -5.830 1.00 0.00 C ATOM 1157 O ILE A 73 -7.691 2.334 -5.041 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.261 -0.253 -5.910 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.454 -1.478 -6.813 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.573 0.123 -5.225 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.585 -1.337 -7.812 1.00 0.00 C ATOM 0 H ILE A 73 -6.654 0.461 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.347 1.135 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.541 -0.504 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.527 -1.667 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.642 -2.351 -6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.948 -0.732 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.402 0.958 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.307 0.412 -5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.656 -2.244 -8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.523 -1.180 -7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.391 -0.485 -8.464 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.631 3.069 -5.944 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.703 4.303 -5.143 1.00 0.00 C ATOM 1175 C PRO A 74 -9.709 4.027 -3.637 1.00 0.00 C ATOM 1176 O PRO A 74 -9.669 2.870 -3.208 1.00 0.00 O ATOM 1177 CB PRO A 74 -11.030 4.947 -5.578 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.796 3.864 -6.257 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.776 2.946 -6.861 1.00 0.00 C ATOM 0 HA PRO A 74 -8.834 4.940 -5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.577 5.335 -4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.856 5.786 -6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.428 3.330 -5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.453 4.274 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.140 1.920 -6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.514 3.246 -7.876 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.756 5.102 -2.842 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.765 4.999 -1.377 1.00 0.00 C ATOM 1189 C GLU A 75 -10.665 3.864 -0.877 1.00 0.00 C ATOM 1190 O GLU A 75 -10.373 3.247 0.146 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.213 6.326 -0.754 1.00 0.00 C ATOM 1192 CG GLU A 75 -9.354 6.767 0.423 1.00 0.00 C ATOM 1193 CD GLU A 75 -9.339 5.754 1.552 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -10.419 5.478 2.120 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -8.249 5.234 1.869 1.00 0.00 O ATOM 0 H GLU A 75 -9.789 6.060 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.745 4.771 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.193 7.102 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.247 6.232 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.334 6.936 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.725 7.720 0.801 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.744 3.578 -1.608 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.664 2.501 -1.230 1.00 0.00 C ATOM 1204 C ASN A 76 -12.087 1.129 -1.608 1.00 0.00 C ATOM 1205 O ASN A 76 -12.710 0.353 -2.340 1.00 0.00 O ATOM 1206 CB ASN A 76 -14.047 2.698 -1.874 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.977 3.120 -3.335 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -13.910 2.277 -4.227 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -13.990 4.427 -3.592 1.00 0.00 N ATOM 0 H ASN A 76 -12.002 4.074 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.786 2.537 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.611 1.768 -1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.598 3.452 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.944 4.758 -4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.046 5.097 -2.825 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.887 0.834 -1.094 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.209 -0.439 -1.361 1.00 0.00 C ATOM 1218 C ALA A 77 -10.990 -1.652 -0.836 1.00 0.00 C ATOM 1219 O ALA A 77 -10.601 -2.795 -1.084 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.802 -0.421 -0.780 1.00 0.00 C ATOM 0 H ALA A 77 -10.363 1.465 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.153 -0.546 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.311 -1.372 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.231 0.388 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.855 -0.266 0.298 1.00 0.00 H new ATOM 1226 N ASN A 78 -12.096 -1.404 -0.133 1.00 0.00 N ATOM 1227 CA ASN A 78 -12.940 -2.475 0.397 1.00 0.00 C ATOM 1228 C ASN A 78 -13.253 -3.512 -0.691 1.00 0.00 C ATOM 1229 O ASN A 78 -13.310 -4.713 -0.422 1.00 0.00 O ATOM 1230 CB ASN A 78 -14.238 -1.865 0.955 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.489 -2.661 0.609 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.645 -3.807 1.027 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.387 -2.054 -0.156 1.00 0.00 N ATOM 0 H ASN A 78 -12.429 -0.465 0.083 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.408 -2.988 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.156 -1.788 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.346 -0.851 0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.245 -2.539 -0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.219 -1.102 -0.482 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.453 -3.026 -1.918 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.765 -3.888 -3.063 1.00 0.00 C ATOM 1242 C VAL A 79 -12.498 -4.451 -3.723 1.00 0.00 C ATOM 1243 O VAL A 79 -12.534 -5.517 -4.337 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.588 -3.129 -4.128 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.468 -4.090 -4.916 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.430 -2.031 -3.486 1.00 0.00 C ATOM 0 H VAL A 79 -13.404 -2.033 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.353 -4.717 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.890 -2.659 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -16.038 -3.534 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.842 -4.829 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -16.154 -4.596 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.000 -1.512 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.116 -2.474 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.777 -1.322 -2.978 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.387 -3.723 -3.593 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.099 -4.124 -4.169 1.00 0.00 C ATOM 1258 C PHE A 80 -9.741 -5.579 -3.837 1.00 0.00 C ATOM 1259 O PHE A 80 -9.242 -6.308 -4.698 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.007 -3.174 -3.659 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.611 -3.536 -4.079 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -6.999 -4.681 -3.598 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -6.906 -2.718 -4.939 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.711 -5.000 -3.969 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.616 -3.029 -5.310 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.017 -4.171 -4.825 1.00 0.00 C ATOM 0 H PHE A 80 -11.353 -2.839 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.176 -4.060 -5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.228 -2.167 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.048 -3.147 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.537 -5.331 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.371 -1.823 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.246 -5.898 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.075 -2.378 -5.981 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.006 -4.416 -5.115 1.00 0.00 H new ATOM 1276 N TYR A 81 -9.980 -5.994 -2.591 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.661 -7.356 -2.160 1.00 0.00 C ATOM 1278 C TYR A 81 -10.447 -8.412 -2.941 1.00 0.00 C ATOM 1279 O TYR A 81 -9.986 -9.545 -3.091 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.891 -7.507 -0.657 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.672 -7.140 0.153 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -8.145 -5.857 0.095 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -8.034 -8.077 0.955 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -7.019 -5.516 0.815 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -6.905 -7.742 1.677 1.00 0.00 C ATOM 1286 CZ TYR A 81 -6.402 -6.460 1.603 1.00 0.00 C ATOM 1287 OH TYR A 81 -5.275 -6.121 2.316 1.00 0.00 O ATOM 0 H TYR A 81 -10.392 -5.408 -1.865 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.606 -7.526 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.727 -6.876 -0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.173 -8.537 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.625 -5.113 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.426 -9.082 1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.624 -4.513 0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.418 -8.481 2.297 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.782 -5.423 1.836 1.00 0.00 H new ATOM 1297 N ALA A 82 -11.619 -8.035 -3.455 1.00 0.00 N ATOM 1298 CA ALA A 82 -12.443 -8.951 -4.238 1.00 0.00 C ATOM 1299 C ALA A 82 -12.159 -8.819 -5.742 1.00 0.00 C ATOM 1300 O ALA A 82 -12.887 -9.379 -6.566 1.00 0.00 O ATOM 1301 CB ALA A 82 -13.917 -8.700 -3.949 1.00 0.00 C ATOM 0 H ALA A 82 -12.017 -7.102 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.189 -9.970 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.525 -9.387 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.112 -8.859 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.170 -7.674 -4.214 1.00 0.00 H new ATOM 1307 N MET A 83 -11.102 -8.076 -6.096 1.00 0.00 N ATOM 1308 CA MET A 83 -10.735 -7.871 -7.497 1.00 0.00 C ATOM 1309 C MET A 83 -9.288 -8.290 -7.772 1.00 0.00 C ATOM 1310 O MET A 83 -9.005 -8.933 -8.784 1.00 0.00 O ATOM 1311 CB MET A 83 -10.936 -6.402 -7.886 1.00 0.00 C ATOM 1312 CG MET A 83 -12.397 -5.986 -7.966 1.00 0.00 C ATOM 1313 SD MET A 83 -13.203 -6.567 -9.470 1.00 0.00 S ATOM 1314 CE MET A 83 -12.525 -5.433 -10.679 1.00 0.00 C ATOM 0 H MET A 83 -10.488 -7.608 -5.429 1.00 0.00 H new ATOM 0 HA MET A 83 -11.386 -8.501 -8.103 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.426 -5.770 -7.159 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.463 -6.223 -8.851 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.930 -6.376 -7.099 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.464 -4.899 -7.919 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.103 -5.496 -11.601 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.571 -4.416 -10.290 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.487 -5.696 -10.883 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.376 -7.914 -6.874 1.00 0.00 N ATOM 1325 CA ASN A 84 -6.956 -8.245 -7.032 1.00 0.00 C ATOM 1326 C ASN A 84 -6.673 -9.728 -6.755 1.00 0.00 C ATOM 1327 O ASN A 84 -5.694 -10.275 -7.264 1.00 0.00 O ATOM 1328 CB ASN A 84 -6.101 -7.370 -6.103 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.884 -8.003 -4.738 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.758 -8.304 -4.354 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -6.961 -8.210 -3.998 1.00 0.00 N ATOM 0 H ASN A 84 -8.593 -7.382 -6.031 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.692 -8.046 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.134 -7.186 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.584 -6.401 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.871 -8.633 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.881 -7.946 -4.351 1.00 0.00 H new ATOM 1338 N SER A 85 -7.514 -10.368 -5.943 1.00 0.00 N ATOM 1339 CA SER A 85 -7.327 -11.782 -5.601 1.00 0.00 C ATOM 1340 C SER A 85 -7.648 -12.690 -6.796 1.00 0.00 C ATOM 1341 O SER A 85 -8.707 -13.320 -6.840 1.00 0.00 O ATOM 1342 CB SER A 85 -8.194 -12.164 -4.395 1.00 0.00 C ATOM 1343 OG SER A 85 -7.971 -11.279 -3.307 1.00 0.00 O ATOM 0 H SER A 85 -8.329 -9.934 -5.510 1.00 0.00 H new ATOM 0 HA SER A 85 -6.279 -11.925 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.247 -12.141 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.968 -13.186 -4.089 1.00 0.00 H new ATOM 0 HG SER A 85 -8.746 -10.689 -3.201 1.00 0.00 H new ATOM 1349 N THR A 86 -6.726 -12.750 -7.766 1.00 0.00 N ATOM 1350 CA THR A 86 -6.913 -13.580 -8.960 1.00 0.00 C ATOM 1351 C THR A 86 -5.748 -14.558 -9.158 1.00 0.00 C ATOM 1352 O THR A 86 -5.967 -15.737 -9.442 1.00 0.00 O ATOM 1353 CB THR A 86 -7.103 -12.703 -10.213 1.00 0.00 C ATOM 1354 OG1 THR A 86 -7.031 -13.485 -11.393 1.00 0.00 O ATOM 1355 CG2 THR A 86 -6.094 -11.579 -10.353 1.00 0.00 C ATOM 0 H THR A 86 -5.846 -12.235 -7.746 1.00 0.00 H new ATOM 0 HA THR A 86 -7.817 -14.169 -8.809 1.00 0.00 H new ATOM 0 HB THR A 86 -8.089 -12.257 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.156 -12.908 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.303 -11.014 -11.261 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.164 -10.917 -9.490 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.089 -11.997 -10.409 1.00 0.00 H new ATOM 1363 N ALA A 87 -4.515 -14.070 -8.999 1.00 0.00 N ATOM 1364 CA ALA A 87 -3.327 -14.910 -9.158 1.00 0.00 C ATOM 1365 C ALA A 87 -2.193 -14.449 -8.240 1.00 0.00 C ATOM 1366 O ALA A 87 -1.969 -15.031 -7.179 1.00 0.00 O ATOM 1367 CB ALA A 87 -2.879 -14.921 -10.616 1.00 0.00 C ATOM 0 H ALA A 87 -4.314 -13.099 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.589 -15.928 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.995 -15.549 -10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.681 -15.316 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.641 -13.905 -10.931 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.489 -13.398 -8.656 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.378 -12.843 -7.877 1.00 0.00 C ATOM 1375 C ASN A 88 -0.899 -12.065 -6.661 1.00 0.00 C ATOM 1376 O ASN A 88 -2.108 -11.878 -6.505 1.00 0.00 O ATOM 1377 CB ASN A 88 0.476 -11.925 -8.767 1.00 0.00 C ATOM 1378 CG ASN A 88 1.865 -11.666 -8.194 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.373 -12.455 -7.397 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.491 -10.559 -8.591 1.00 0.00 N ATOM 0 H ASN A 88 -1.668 -12.909 -9.533 1.00 0.00 H new ATOM 0 HA ASN A 88 0.238 -13.667 -7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.574 -12.375 -9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.040 -10.974 -8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.421 -10.343 -8.233 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.040 -9.928 -9.253 1.00 0.00 H new ATOM 1387 N TYR A 89 0.012 -11.609 -5.799 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.381 -10.852 -4.615 1.00 0.00 C ATOM 1389 C TYR A 89 0.634 -9.749 -4.288 1.00 0.00 C ATOM 1390 O TYR A 89 1.026 -9.569 -3.132 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.584 -11.794 -3.416 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.031 -11.919 -2.971 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -2.925 -10.859 -3.099 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -2.500 -13.103 -2.416 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.239 -10.978 -2.689 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -3.814 -13.228 -2.003 1.00 0.00 C ATOM 1397 CZ TYR A 89 -4.678 -12.164 -2.142 1.00 0.00 C ATOM 1398 OH TYR A 89 -5.986 -12.287 -1.726 1.00 0.00 O ATOM 0 H TYR A 89 1.017 -11.750 -5.899 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.331 -10.362 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.207 -12.783 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.014 -11.435 -2.578 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.585 -9.927 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.827 -13.940 -2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.919 -10.146 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.161 -14.156 -1.573 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.580 -11.881 -2.391 1.00 0.00 H new ATOM 1408 N ASP A 90 1.037 -8.998 -5.318 1.00 0.00 N ATOM 1409 CA ASP A 90 1.983 -7.895 -5.155 1.00 0.00 C ATOM 1410 C ASP A 90 1.253 -6.576 -5.352 1.00 0.00 C ATOM 1411 O ASP A 90 1.062 -6.117 -6.478 1.00 0.00 O ATOM 1412 CB ASP A 90 3.132 -8.040 -6.158 1.00 0.00 C ATOM 1413 CG ASP A 90 4.472 -7.572 -5.618 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.695 -7.675 -4.395 1.00 0.00 O ATOM 1415 OD2 ASP A 90 5.304 -7.110 -6.427 1.00 0.00 O ATOM 0 H ASP A 90 0.719 -9.137 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 90 2.406 -7.916 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.214 -9.086 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.893 -7.471 -7.057 1.00 0.00 H new ATOM 1420 N PHE A 91 0.800 -5.997 -4.246 1.00 0.00 N ATOM 1421 CA PHE A 91 0.038 -4.764 -4.297 1.00 0.00 C ATOM 1422 C PHE A 91 0.811 -3.535 -3.838 1.00 0.00 C ATOM 1423 O PHE A 91 1.770 -3.616 -3.072 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.261 -4.954 -3.516 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.243 -4.498 -2.099 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -0.729 -5.319 -1.120 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -1.780 -3.275 -1.743 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -0.747 -4.937 0.198 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.795 -2.876 -0.422 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.279 -3.710 0.553 1.00 0.00 C ATOM 0 H PHE A 91 0.949 -6.364 -3.306 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.187 -4.557 -5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.057 -4.422 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.520 -6.013 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.307 -6.275 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.191 -2.627 -2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.347 -5.593 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.208 -1.916 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.291 -3.404 1.589 1.00 0.00 H new ATOM 1440 N VAL A 92 0.366 -2.392 -4.349 1.00 0.00 N ATOM 1441 CA VAL A 92 0.976 -1.106 -4.049 1.00 0.00 C ATOM 1442 C VAL A 92 0.034 -0.226 -3.232 1.00 0.00 C ATOM 1443 O VAL A 92 -1.116 -0.002 -3.613 1.00 0.00 O ATOM 1444 CB VAL A 92 1.375 -0.358 -5.344 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.156 0.907 -5.026 1.00 0.00 C ATOM 1446 CG2 VAL A 92 2.177 -1.266 -6.268 1.00 0.00 C ATOM 0 H VAL A 92 -0.430 -2.333 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 92 1.873 -1.309 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 92 0.459 -0.069 -5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.423 1.412 -5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.542 1.570 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.063 0.647 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.446 -0.719 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.083 -1.594 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.576 -2.135 -6.536 1.00 0.00 H new ATOM 1456 N LEU A 93 0.545 0.279 -2.116 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.215 1.151 -1.235 1.00 0.00 C ATOM 1458 C LEU A 93 0.177 2.606 -1.499 1.00 0.00 C ATOM 1459 O LEU A 93 1.115 3.131 -0.895 1.00 0.00 O ATOM 1460 CB LEU A 93 0.039 0.763 0.228 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.394 1.795 1.267 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -1.894 1.721 1.503 1.00 0.00 C ATOM 1463 CD2 LEU A 93 0.362 1.593 2.572 1.00 0.00 C ATOM 0 H LEU A 93 1.497 0.095 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.281 1.040 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.481 -0.173 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.104 0.570 0.355 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.155 2.787 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.182 2.464 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.420 1.919 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.157 0.726 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.039 2.338 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.158 0.595 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.432 1.701 2.393 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.533 3.239 -2.429 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.253 4.623 -2.806 1.00 0.00 C ATOM 1477 C LYS A 94 -1.275 5.584 -2.205 1.00 0.00 C ATOM 1478 O LYS A 94 -2.467 5.493 -2.492 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.246 4.761 -4.330 1.00 0.00 C ATOM 1480 CG LYS A 94 1.029 4.247 -4.983 1.00 0.00 C ATOM 1481 CD LYS A 94 0.944 4.312 -6.500 1.00 0.00 C ATOM 1482 CE LYS A 94 1.202 5.720 -7.018 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.632 5.928 -7.381 1.00 0.00 N ATOM 0 H LYS A 94 -1.309 2.815 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 94 0.729 4.883 -2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.098 4.218 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.381 5.810 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.878 4.838 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.209 3.218 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.670 3.625 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.042 3.980 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.576 5.906 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.912 6.445 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.743 6.856 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.217 5.894 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.936 5.180 -8.037 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.798 6.511 -1.377 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.666 7.495 -0.742 1.00 0.00 C ATOM 1499 C LYS A 95 -2.355 8.370 -1.790 1.00 0.00 C ATOM 1500 O LYS A 95 -1.716 8.870 -2.717 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.857 8.354 0.234 1.00 0.00 C ATOM 1502 CG LYS A 95 -1.603 9.566 0.768 1.00 0.00 C ATOM 1503 CD LYS A 95 -1.076 10.003 2.129 1.00 0.00 C ATOM 1504 CE LYS A 95 0.437 10.170 2.132 1.00 0.00 C ATOM 1505 NZ LYS A 95 1.045 9.723 3.416 1.00 0.00 N ATOM 0 H LYS A 95 0.188 6.600 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.441 6.968 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.547 7.733 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.051 8.692 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.510 10.390 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.665 9.333 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.545 10.945 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.360 9.266 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.866 9.599 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.687 11.217 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.933 10.239 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.386 9.915 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.241 8.703 3.371 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.665 8.544 -1.633 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.457 9.349 -2.554 1.00 0.00 C ATOM 1521 C ARG A 96 -4.147 10.835 -2.371 1.00 0.00 C ATOM 1522 O ARG A 96 -4.649 11.477 -1.444 1.00 0.00 O ATOM 1523 CB ARG A 96 -5.949 9.072 -2.334 1.00 0.00 C ATOM 1524 CG ARG A 96 -6.873 9.890 -3.225 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.521 11.035 -2.460 1.00 0.00 C ATOM 1526 NE ARG A 96 -8.341 10.560 -1.340 1.00 0.00 N ATOM 1527 CZ ARG A 96 -7.948 10.559 -0.063 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -6.736 10.980 0.280 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.775 10.125 0.878 1.00 0.00 N ATOM 0 H ARG A 96 -4.202 8.134 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.198 9.076 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.140 8.013 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.195 9.274 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.308 10.289 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.647 9.243 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.746 11.702 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.141 11.619 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.274 10.207 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.089 11.311 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.452 10.973 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.706 9.794 0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.480 10.122 1.854 1.00 0.00 H new ATOM 1543 N THR A 97 -3.306 11.370 -3.255 1.00 0.00 N ATOM 1544 CA THR A 97 -2.911 12.776 -3.196 1.00 0.00 C ATOM 1545 C THR A 97 -2.751 13.366 -4.601 1.00 0.00 C ATOM 1546 O THR A 97 -2.368 12.613 -5.525 1.00 0.00 O ATOM 1547 CB THR A 97 -1.610 12.926 -2.394 1.00 0.00 C ATOM 1548 OG1 THR A 97 -1.484 14.240 -1.881 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.357 12.625 -3.192 1.00 0.00 C ATOM 1550 OXT THR A 97 -3.014 14.575 -4.765 1.00 0.00 O ATOM 0 H THR A 97 -2.884 10.848 -4.023 1.00 0.00 H new ATOM 0 HA THR A 97 -3.701 13.332 -2.691 1.00 0.00 H new ATOM 0 HB THR A 97 -1.690 12.190 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.650 14.314 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.519 12.753 -2.556 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.395 11.598 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.293 13.307 -4.040 1.00 0.00 H new TER 1558 THR A 97