USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl -172:sc= -1.78! (180deg=-1.96!) USER MOD Single : A 13 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.025) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.746 K(o=-0.75,f=-1.4) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.9) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 114:sc= 0.245 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.63! C(o=-4.6!,f=-6.2!) USER MOD Single : A 45 TYR OH : rot -11:sc= 1.09 USER MOD Single : A 48 CYS SG : rot 149:sc= 1.57 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.35 K(o=-1.3,f=-7.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.25! X(o=-2.3!,f=-2) USER MOD Single : A 80 TYR OH : rot 10:sc= -0.769 USER MOD Single : A 83 TYR OH : rot -107:sc= 0.553 USER MOD Single : A 88 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.84) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -113:sc= 0.828 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 166:sc=-0.00125 (180deg=-0.0807) USER MOD Single : A 100 TYR OH : rot 178:sc= -0.733 USER MOD Single : A 106 GLN : amide:sc= -0.0145 X(o=-0.014,f=-0.0015) USER MOD Single : A 107 THR OG1 : rot -43:sc= 0.095 USER MOD Single : A 110 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.5!) USER MOD Single : A 111 ASN : amide:sc= -3.79 K(o=-3.8,f=-4.4!) USER MOD Single : A 112 ASN : amide:sc= -0.0979 K(o=-0.098,f=-0.69) USER MOD Single : A 113 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.5!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -179:sc= -2.97 (180deg=-3.07) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.057 4.123 8.241 1.00 0.00 N ATOM 60 CA GLY A 7 -14.659 3.876 6.942 1.00 0.00 C ATOM 61 C GLY A 7 -13.606 3.922 5.833 1.00 0.00 C ATOM 62 O GLY A 7 -12.507 3.394 5.993 1.00 0.00 O ATOM 0 HA2 GLY A 7 -15.149 2.902 6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.431 4.621 6.747 1.00 0.00 H new ATOM 66 N MET A 8 -13.980 4.557 4.732 1.00 0.00 N ATOM 67 CA MET A 8 -13.083 4.678 3.595 1.00 0.00 C ATOM 68 C MET A 8 -12.627 6.128 3.410 1.00 0.00 C ATOM 69 O MET A 8 -11.431 6.399 3.327 1.00 0.00 O ATOM 70 CB MET A 8 -13.794 4.200 2.329 1.00 0.00 C ATOM 71 CG MET A 8 -12.902 4.378 1.098 1.00 0.00 C ATOM 72 SD MET A 8 -11.973 2.884 0.797 1.00 0.00 S ATOM 73 CE MET A 8 -10.312 3.534 0.861 1.00 0.00 C ATOM 0 H MET A 8 -14.893 4.994 4.603 1.00 0.00 H new ATOM 0 HA MET A 8 -12.204 4.061 3.782 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.067 3.150 2.436 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.720 4.759 2.195 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.513 4.618 0.228 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.221 5.215 1.250 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.607 2.762 0.553 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.230 4.389 0.190 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.083 3.848 1.879 1.00 0.00 H new ATOM 83 N GLU A 9 -13.605 7.018 3.348 1.00 0.00 N ATOM 84 CA GLU A 9 -13.319 8.432 3.172 1.00 0.00 C ATOM 85 C GLU A 9 -12.458 8.947 4.326 1.00 0.00 C ATOM 86 O GLU A 9 -11.883 10.031 4.242 1.00 0.00 O ATOM 87 CB GLU A 9 -14.613 9.242 3.050 1.00 0.00 C ATOM 88 CG GLU A 9 -14.530 10.235 1.890 1.00 0.00 C ATOM 89 CD GLU A 9 -15.770 11.131 1.846 1.00 0.00 C ATOM 90 OE1 GLU A 9 -16.800 10.649 1.328 1.00 0.00 O ATOM 91 OE2 GLU A 9 -15.658 12.278 2.331 1.00 0.00 O ATOM 0 H GLU A 9 -14.596 6.788 3.416 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.761 8.557 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.455 8.568 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.800 9.779 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.636 10.850 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.435 9.693 0.949 1.00 0.00 H new ATOM 98 N ALA A 10 -12.395 8.145 5.379 1.00 0.00 N ATOM 99 CA ALA A 10 -11.613 8.506 6.550 1.00 0.00 C ATOM 100 C ALA A 10 -10.209 7.911 6.423 1.00 0.00 C ATOM 101 O ALA A 10 -9.222 8.564 6.758 1.00 0.00 O ATOM 102 CB ALA A 10 -12.334 8.031 7.813 1.00 0.00 C ATOM 0 H ALA A 10 -12.873 7.246 5.446 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.508 9.589 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.747 8.302 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.314 8.504 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.455 6.948 7.778 1.00 0.00 H new ATOM 108 N VAL A 11 -10.164 6.679 5.937 1.00 0.00 N ATOM 109 CA VAL A 11 -8.898 5.990 5.762 1.00 0.00 C ATOM 110 C VAL A 11 -8.017 6.787 4.797 1.00 0.00 C ATOM 111 O VAL A 11 -6.804 6.872 4.984 1.00 0.00 O ATOM 112 CB VAL A 11 -9.145 4.553 5.296 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.933 4.006 4.538 1.00 0.00 C ATOM 114 CG2 VAL A 11 -9.506 3.649 6.476 1.00 0.00 C ATOM 0 H VAL A 11 -10.985 6.141 5.659 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.365 5.924 6.710 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.992 4.564 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.135 2.984 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.739 4.628 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.060 4.016 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.676 2.634 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.688 3.647 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.411 4.021 6.956 1.00 0.00 H new ATOM 124 N LEU A 12 -8.662 7.350 3.785 1.00 0.00 N ATOM 125 CA LEU A 12 -7.952 8.138 2.791 1.00 0.00 C ATOM 126 C LEU A 12 -7.661 9.528 3.361 1.00 0.00 C ATOM 127 O LEU A 12 -6.589 10.085 3.131 1.00 0.00 O ATOM 128 CB LEU A 12 -8.730 8.163 1.474 1.00 0.00 C ATOM 129 CG LEU A 12 -8.457 7.006 0.511 1.00 0.00 C ATOM 130 CD1 LEU A 12 -9.232 7.184 -0.795 1.00 0.00 C ATOM 131 CD2 LEU A 12 -6.956 6.837 0.269 1.00 0.00 C ATOM 0 H LEU A 12 -9.668 7.276 3.632 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.990 7.682 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.795 8.174 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.506 9.098 0.960 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.814 6.086 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.020 6.348 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.301 7.216 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.929 8.115 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.789 6.008 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.552 7.753 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.456 6.629 1.215 1.00 0.00 H new ATOM 143 N ASN A 13 -8.635 10.048 4.094 1.00 0.00 N ATOM 144 CA ASN A 13 -8.497 11.362 4.698 1.00 0.00 C ATOM 145 C ASN A 13 -7.391 11.319 5.755 1.00 0.00 C ATOM 146 O ASN A 13 -6.625 12.272 5.896 1.00 0.00 O ATOM 147 CB ASN A 13 -9.793 11.789 5.389 1.00 0.00 C ATOM 148 CG ASN A 13 -10.578 12.775 4.520 1.00 0.00 C ATOM 149 OD1 ASN A 13 -11.015 13.823 4.965 1.00 0.00 O ATOM 150 ND2 ASN A 13 -10.731 12.381 3.258 1.00 0.00 N ATOM 0 H ASN A 13 -9.523 9.583 4.283 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.258 12.073 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.406 10.912 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.563 12.249 6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.240 12.969 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.339 11.491 2.951 1.00 0.00 H new ATOM 157 N GLU A 14 -7.342 10.204 6.469 1.00 0.00 N ATOM 158 CA GLU A 14 -6.342 10.024 7.508 1.00 0.00 C ATOM 159 C GLU A 14 -5.001 9.622 6.891 1.00 0.00 C ATOM 160 O GLU A 14 -4.941 8.707 6.071 1.00 0.00 O ATOM 161 CB GLU A 14 -6.802 8.993 8.539 1.00 0.00 C ATOM 162 CG GLU A 14 -5.608 8.253 9.146 1.00 0.00 C ATOM 163 CD GLU A 14 -5.889 7.857 10.598 1.00 0.00 C ATOM 164 OE1 GLU A 14 -7.075 7.606 10.899 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.909 7.817 11.374 1.00 0.00 O ATOM 0 H GLU A 14 -7.979 9.416 6.349 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.211 10.974 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.366 9.490 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.476 8.278 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.391 7.362 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.722 8.887 9.103 1.00 0.00 H new ATOM 172 N LEU A 15 -3.959 10.326 7.308 1.00 0.00 N ATOM 173 CA LEU A 15 -2.623 10.054 6.807 1.00 0.00 C ATOM 174 C LEU A 15 -1.734 9.589 7.961 1.00 0.00 C ATOM 175 O LEU A 15 -2.169 9.563 9.112 1.00 0.00 O ATOM 176 CB LEU A 15 -2.073 11.270 6.059 1.00 0.00 C ATOM 177 CG LEU A 15 -2.128 12.601 6.810 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.974 12.716 7.808 1.00 0.00 C ATOM 179 CD2 LEU A 15 -2.163 13.781 5.836 1.00 0.00 C ATOM 0 H LEU A 15 -4.013 11.085 7.988 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.648 9.244 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.035 11.069 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.627 11.379 5.126 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.054 12.630 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.037 13.672 8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.037 11.904 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.025 12.655 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.202 14.715 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.267 13.767 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.045 13.702 5.201 1.00 0.00 H new ATOM 191 N VAL A 16 -0.505 9.233 7.615 1.00 0.00 N ATOM 192 CA VAL A 16 0.448 8.771 8.608 1.00 0.00 C ATOM 193 C VAL A 16 1.245 9.965 9.139 1.00 0.00 C ATOM 194 O VAL A 16 1.083 11.085 8.660 1.00 0.00 O ATOM 195 CB VAL A 16 1.336 7.677 8.012 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.797 8.128 7.954 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.197 6.370 8.796 1.00 0.00 C ATOM 0 H VAL A 16 -0.148 9.256 6.660 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.071 8.324 9.456 1.00 0.00 H new ATOM 0 HB VAL A 16 1.001 7.493 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.407 7.332 7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.878 9.020 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.148 8.353 8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.839 5.609 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.493 6.534 9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.160 6.035 8.763 1.00 0.00 H new ATOM 207 N SER A 17 2.088 9.683 10.121 1.00 0.00 N ATOM 208 CA SER A 17 2.911 10.719 10.721 1.00 0.00 C ATOM 209 C SER A 17 4.393 10.378 10.549 1.00 0.00 C ATOM 210 O SER A 17 4.766 9.205 10.536 1.00 0.00 O ATOM 211 CB SER A 17 2.576 10.898 12.204 1.00 0.00 C ATOM 212 OG SER A 17 1.171 10.915 12.436 1.00 0.00 O ATOM 0 H SER A 17 2.219 8.752 10.516 1.00 0.00 H new ATOM 0 HA SER A 17 2.701 11.660 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.028 10.089 12.778 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.014 11.829 12.565 1.00 0.00 H new ATOM 0 HG SER A 17 0.999 11.029 13.394 1.00 0.00 H new ATOM 218 N VAL A 18 5.197 11.423 10.421 1.00 0.00 N ATOM 219 CA VAL A 18 6.629 11.247 10.251 1.00 0.00 C ATOM 220 C VAL A 18 7.154 10.294 11.327 1.00 0.00 C ATOM 221 O VAL A 18 7.925 9.383 11.030 1.00 0.00 O ATOM 222 CB VAL A 18 7.328 12.609 10.265 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.841 12.450 10.108 1.00 0.00 C ATOM 224 CG2 VAL A 18 6.757 13.530 9.185 1.00 0.00 C ATOM 0 H VAL A 18 4.884 12.394 10.432 1.00 0.00 H new ATOM 0 HA VAL A 18 6.846 10.794 9.283 1.00 0.00 H new ATOM 0 HB VAL A 18 7.139 13.073 11.233 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.313 13.432 10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.231 11.849 10.929 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.059 11.955 9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.271 14.491 9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.900 13.074 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.692 13.682 9.362 1.00 0.00 H new ATOM 234 N GLU A 19 6.717 10.539 12.553 1.00 0.00 N ATOM 235 CA GLU A 19 7.132 9.713 13.674 1.00 0.00 C ATOM 236 C GLU A 19 6.791 8.246 13.408 1.00 0.00 C ATOM 237 O GLU A 19 7.659 7.378 13.489 1.00 0.00 O ATOM 238 CB GLU A 19 6.495 10.197 14.978 1.00 0.00 C ATOM 239 CG GLU A 19 7.508 10.178 16.124 1.00 0.00 C ATOM 240 CD GLU A 19 6.945 9.442 17.342 1.00 0.00 C ATOM 241 OE1 GLU A 19 6.654 8.236 17.192 1.00 0.00 O ATOM 242 OE2 GLU A 19 6.818 10.103 18.395 1.00 0.00 O ATOM 0 H GLU A 19 6.080 11.298 12.795 1.00 0.00 H new ATOM 0 HA GLU A 19 8.213 9.800 13.783 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.110 11.208 14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.645 9.563 15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.427 9.693 15.794 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.769 11.200 16.401 1.00 0.00 H new ATOM 249 N ASP A 20 5.525 8.013 13.096 1.00 0.00 N ATOM 250 CA ASP A 20 5.058 6.665 12.818 1.00 0.00 C ATOM 251 C ASP A 20 5.837 6.095 11.632 1.00 0.00 C ATOM 252 O ASP A 20 6.437 5.026 11.734 1.00 0.00 O ATOM 253 CB ASP A 20 3.572 6.661 12.454 1.00 0.00 C ATOM 254 CG ASP A 20 2.743 5.571 13.135 1.00 0.00 C ATOM 255 OD1 ASP A 20 3.092 5.226 14.284 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.777 5.107 12.491 1.00 0.00 O ATOM 0 H ASP A 20 4.808 8.735 13.029 1.00 0.00 H new ATOM 0 HA ASP A 20 5.211 6.063 13.714 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.148 7.632 12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.478 6.547 11.374 1.00 0.00 H new ATOM 261 N LEU A 21 5.803 6.833 10.532 1.00 0.00 N ATOM 262 CA LEU A 21 6.499 6.415 9.328 1.00 0.00 C ATOM 263 C LEU A 21 7.924 5.991 9.687 1.00 0.00 C ATOM 264 O LEU A 21 8.409 4.965 9.214 1.00 0.00 O ATOM 265 CB LEU A 21 6.433 7.512 8.262 1.00 0.00 C ATOM 266 CG LEU A 21 6.936 7.125 6.870 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.441 7.373 6.742 1.00 0.00 C ATOM 268 CD2 LEU A 21 6.564 5.680 6.533 1.00 0.00 C ATOM 0 H LEU A 21 5.304 7.719 10.450 1.00 0.00 H new ATOM 0 HA LEU A 21 6.010 5.546 8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.398 7.843 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.013 8.366 8.612 1.00 0.00 H new ATOM 0 HG LEU A 21 6.440 7.764 6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.773 7.090 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.651 8.430 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.972 6.777 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.934 5.432 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.013 5.009 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.480 5.569 6.555 1.00 0.00 H new ATOM 280 N LYS A 22 8.555 6.804 10.523 1.00 0.00 N ATOM 281 CA LYS A 22 9.915 6.525 10.953 1.00 0.00 C ATOM 282 C LYS A 22 9.923 5.272 11.829 1.00 0.00 C ATOM 283 O LYS A 22 10.658 4.324 11.557 1.00 0.00 O ATOM 284 CB LYS A 22 10.524 7.754 11.631 1.00 0.00 C ATOM 285 CG LYS A 22 11.122 8.711 10.598 1.00 0.00 C ATOM 286 CD LYS A 22 12.651 8.648 10.612 1.00 0.00 C ATOM 287 CE LYS A 22 13.226 9.552 11.704 1.00 0.00 C ATOM 288 NZ LYS A 22 13.800 10.781 11.111 1.00 0.00 N ATOM 0 H LYS A 22 8.150 7.655 10.913 1.00 0.00 H new ATOM 0 HA LYS A 22 10.551 6.315 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.759 8.271 12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.297 7.441 12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.753 8.456 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.795 9.729 10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.975 7.620 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.040 8.952 9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.443 9.816 12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.995 9.016 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.186 11.383 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.561 10.525 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.057 11.300 10.600 1.00 0.00 H new ATOM 302 N ASN A 23 9.095 5.306 12.863 1.00 0.00 N ATOM 303 CA ASN A 23 8.997 4.185 13.781 1.00 0.00 C ATOM 304 C ASN A 23 8.967 2.879 12.984 1.00 0.00 C ATOM 305 O ASN A 23 9.433 1.845 13.461 1.00 0.00 O ATOM 306 CB ASN A 23 7.713 4.262 14.610 1.00 0.00 C ATOM 307 CG ASN A 23 8.029 4.479 16.092 1.00 0.00 C ATOM 308 OD1 ASN A 23 9.068 4.086 16.595 1.00 0.00 O ATOM 309 ND2 ASN A 23 7.077 5.125 16.758 1.00 0.00 N ATOM 0 H ASN A 23 8.486 6.093 13.085 1.00 0.00 H new ATOM 0 HA ASN A 23 9.859 4.219 14.447 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.088 5.077 14.245 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.141 3.342 14.487 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.193 5.319 17.753 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.231 5.426 16.274 1.00 0.00 H new ATOM 316 N PHE A 24 8.415 2.969 11.783 1.00 0.00 N ATOM 317 CA PHE A 24 8.318 1.809 10.915 1.00 0.00 C ATOM 318 C PHE A 24 9.505 1.744 9.950 1.00 0.00 C ATOM 319 O PHE A 24 10.218 0.743 9.904 1.00 0.00 O ATOM 320 CB PHE A 24 7.028 1.961 10.107 1.00 0.00 C ATOM 321 CG PHE A 24 5.768 1.526 10.858 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.541 1.977 12.121 1.00 0.00 C ATOM 323 CD2 PHE A 24 4.875 0.691 10.264 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.372 1.574 12.819 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.706 0.289 10.962 1.00 0.00 C ATOM 326 CZ PHE A 24 3.479 0.739 12.225 1.00 0.00 C ATOM 0 H PHE A 24 8.030 3.828 11.391 1.00 0.00 H new ATOM 0 HA PHE A 24 8.319 0.897 11.512 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.919 3.004 9.809 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.114 1.375 9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.250 2.641 12.593 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.055 0.333 9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.192 1.931 13.822 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.997 -0.374 10.490 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.590 0.433 12.756 1.00 0.00 H new ATOM 336 N GLU A 25 9.680 2.825 9.206 1.00 0.00 N ATOM 337 CA GLU A 25 10.768 2.904 8.246 1.00 0.00 C ATOM 338 C GLU A 25 12.055 2.346 8.856 1.00 0.00 C ATOM 339 O GLU A 25 12.928 1.863 8.137 1.00 0.00 O ATOM 340 CB GLU A 25 10.969 4.342 7.761 1.00 0.00 C ATOM 341 CG GLU A 25 11.658 4.369 6.396 1.00 0.00 C ATOM 342 CD GLU A 25 11.393 5.692 5.675 1.00 0.00 C ATOM 343 OE1 GLU A 25 12.129 6.658 5.972 1.00 0.00 O ATOM 344 OE2 GLU A 25 10.463 5.708 4.841 1.00 0.00 O ATOM 0 H GLU A 25 9.087 3.654 9.248 1.00 0.00 H new ATOM 0 HA GLU A 25 10.507 2.297 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.005 4.846 7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.568 4.894 8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.731 4.229 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.298 3.540 5.786 1.00 0.00 H new ATOM 351 N ARG A 26 12.133 2.432 10.175 1.00 0.00 N ATOM 352 CA ARG A 26 13.299 1.942 10.890 1.00 0.00 C ATOM 353 C ARG A 26 13.233 0.420 11.032 1.00 0.00 C ATOM 354 O ARG A 26 14.186 -0.280 10.694 1.00 0.00 O ATOM 355 CB ARG A 26 13.399 2.573 12.280 1.00 0.00 C ATOM 356 CG ARG A 26 14.029 1.601 13.280 1.00 0.00 C ATOM 357 CD ARG A 26 14.435 2.325 14.565 1.00 0.00 C ATOM 358 NE ARG A 26 13.962 1.566 15.744 1.00 0.00 N ATOM 359 CZ ARG A 26 12.672 1.415 16.073 1.00 0.00 C ATOM 360 NH1 ARG A 26 11.718 1.970 15.312 1.00 0.00 N ATOM 361 NH2 ARG A 26 12.335 0.710 17.160 1.00 0.00 N ATOM 0 H ARG A 26 11.407 2.834 10.768 1.00 0.00 H new ATOM 0 HA ARG A 26 14.182 2.219 10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.996 3.484 12.228 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.406 2.862 12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.322 0.805 13.514 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.903 1.129 12.832 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.519 2.435 14.604 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.012 3.330 14.575 1.00 0.00 H new ATOM 0 HE ARG A 26 14.662 1.130 16.344 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.975 2.507 14.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.736 1.856 15.562 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.061 0.287 17.739 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.353 0.596 17.409 1.00 0.00 H new ATOM 375 N LYS A 27 12.100 -0.047 11.534 1.00 0.00 N ATOM 376 CA LYS A 27 11.897 -1.473 11.726 1.00 0.00 C ATOM 377 C LYS A 27 12.188 -2.206 10.414 1.00 0.00 C ATOM 378 O LYS A 27 12.955 -3.166 10.394 1.00 0.00 O ATOM 379 CB LYS A 27 10.499 -1.745 12.285 1.00 0.00 C ATOM 380 CG LYS A 27 10.575 -2.556 13.580 1.00 0.00 C ATOM 381 CD LYS A 27 10.445 -1.648 14.804 1.00 0.00 C ATOM 382 CE LYS A 27 10.740 -2.420 16.092 1.00 0.00 C ATOM 383 NZ LYS A 27 9.496 -2.632 16.865 1.00 0.00 N ATOM 0 H LYS A 27 11.312 0.537 11.814 1.00 0.00 H new ATOM 0 HA LYS A 27 12.593 -1.860 12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.988 -0.800 12.473 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.907 -2.286 11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.782 -3.304 13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.522 -3.094 13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.134 -0.808 14.713 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.439 -1.232 14.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.194 -3.381 15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.461 -1.869 16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.714 -3.157 17.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.079 -1.712 17.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.820 -3.176 16.292 1.00 0.00 H new ATOM 397 N PHE A 28 11.560 -1.723 9.352 1.00 0.00 N ATOM 398 CA PHE A 28 11.741 -2.321 8.040 1.00 0.00 C ATOM 399 C PHE A 28 13.197 -2.205 7.582 1.00 0.00 C ATOM 400 O PHE A 28 13.899 -3.209 7.472 1.00 0.00 O ATOM 401 CB PHE A 28 10.851 -1.545 7.068 1.00 0.00 C ATOM 402 CG PHE A 28 10.921 -2.045 5.624 1.00 0.00 C ATOM 403 CD1 PHE A 28 10.682 -3.355 5.347 1.00 0.00 C ATOM 404 CD2 PHE A 28 11.222 -1.182 4.618 1.00 0.00 C ATOM 405 CE1 PHE A 28 10.747 -3.821 4.007 1.00 0.00 C ATOM 406 CE2 PHE A 28 11.286 -1.647 3.278 1.00 0.00 C ATOM 407 CZ PHE A 28 11.048 -2.957 3.001 1.00 0.00 C ATOM 0 H PHE A 28 10.925 -0.925 9.373 1.00 0.00 H new ATOM 0 HA PHE A 28 11.481 -3.379 8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.818 -1.603 7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.136 -0.493 7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.443 -4.041 6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.413 -0.142 4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.557 -4.861 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.524 -0.961 2.479 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.098 -3.311 1.982 1.00 0.00 H new ATOM 417 N GLN A 29 13.608 -0.971 7.329 1.00 0.00 N ATOM 418 CA GLN A 29 14.968 -0.711 6.885 1.00 0.00 C ATOM 419 C GLN A 29 15.966 -1.465 7.766 1.00 0.00 C ATOM 420 O GLN A 29 16.844 -2.162 7.259 1.00 0.00 O ATOM 421 CB GLN A 29 15.265 0.789 6.879 1.00 0.00 C ATOM 422 CG GLN A 29 14.460 1.503 5.791 1.00 0.00 C ATOM 423 CD GLN A 29 14.885 2.968 5.667 1.00 0.00 C ATOM 424 OE1 GLN A 29 15.677 3.479 6.442 1.00 0.00 O ATOM 425 NE2 GLN A 29 14.317 3.612 4.652 1.00 0.00 N ATOM 0 H GLN A 29 13.024 -0.140 7.423 1.00 0.00 H new ATOM 0 HA GLN A 29 15.072 -1.072 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.024 1.215 7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.330 0.952 6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.603 0.997 4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.397 1.448 6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.662 3.124 4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.536 4.594 4.484 1.00 0.00 H new ATOM 434 N SER A 30 15.799 -1.300 9.070 1.00 0.00 N ATOM 435 CA SER A 30 16.675 -1.955 10.026 1.00 0.00 C ATOM 436 C SER A 30 16.773 -3.449 9.707 1.00 0.00 C ATOM 437 O SER A 30 17.825 -4.058 9.888 1.00 0.00 O ATOM 438 CB SER A 30 16.178 -1.750 11.458 1.00 0.00 C ATOM 439 OG SER A 30 16.973 -2.458 12.406 1.00 0.00 O ATOM 0 H SER A 30 15.069 -0.722 9.487 1.00 0.00 H new ATOM 0 HA SER A 30 17.665 -1.507 9.946 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.190 -0.687 11.697 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.143 -2.082 11.533 1.00 0.00 H new ATOM 0 HG SER A 30 16.624 -2.300 13.308 1.00 0.00 H new ATOM 445 N GLU A 31 15.661 -3.995 9.237 1.00 0.00 N ATOM 446 CA GLU A 31 15.608 -5.406 8.891 1.00 0.00 C ATOM 447 C GLU A 31 15.989 -5.607 7.423 1.00 0.00 C ATOM 448 O GLU A 31 16.425 -6.689 7.034 1.00 0.00 O ATOM 449 CB GLU A 31 14.226 -5.991 9.184 1.00 0.00 C ATOM 450 CG GLU A 31 13.899 -5.905 10.676 1.00 0.00 C ATOM 451 CD GLU A 31 14.691 -6.943 11.473 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.625 -8.129 11.084 1.00 0.00 O ATOM 453 OE2 GLU A 31 15.347 -6.527 12.452 1.00 0.00 O ATOM 0 H GLU A 31 14.790 -3.486 9.088 1.00 0.00 H new ATOM 0 HA GLU A 31 16.330 -5.939 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.471 -5.453 8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.191 -7.031 8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.129 -4.905 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.831 -6.063 10.827 1.00 0.00 H new ATOM 460 N GLN A 32 15.811 -4.546 6.649 1.00 0.00 N ATOM 461 CA GLN A 32 16.131 -4.593 5.231 1.00 0.00 C ATOM 462 C GLN A 32 17.647 -4.575 5.029 1.00 0.00 C ATOM 463 O GLN A 32 18.209 -5.500 4.447 1.00 0.00 O ATOM 464 CB GLN A 32 15.463 -3.439 4.481 1.00 0.00 C ATOM 465 CG GLN A 32 15.080 -3.858 3.061 1.00 0.00 C ATOM 466 CD GLN A 32 14.279 -2.758 2.361 1.00 0.00 C ATOM 467 OE1 GLN A 32 14.152 -1.645 2.844 1.00 0.00 O ATOM 468 NE2 GLN A 32 13.747 -3.129 1.200 1.00 0.00 N ATOM 0 H GLN A 32 15.450 -3.650 6.976 1.00 0.00 H new ATOM 0 HA GLN A 32 15.741 -5.524 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 32 14.573 -3.116 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 32 16.140 -2.585 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.981 -4.078 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 32 14.492 -4.775 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.892 -4.077 0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.194 -2.466 0.657 1.00 0.00 H new ATOM 477 N ALA A 33 18.265 -3.511 5.520 1.00 0.00 N ATOM 478 CA ALA A 33 19.705 -3.360 5.400 1.00 0.00 C ATOM 479 C ALA A 33 20.398 -4.443 6.230 1.00 0.00 C ATOM 480 O ALA A 33 21.601 -4.658 6.095 1.00 0.00 O ATOM 481 CB ALA A 33 20.108 -1.948 5.830 1.00 0.00 C ATOM 0 H ALA A 33 17.795 -2.745 6.002 1.00 0.00 H new ATOM 0 HA ALA A 33 20.019 -3.487 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.188 -1.835 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.612 -1.218 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.811 -1.784 6.866 1.00 0.00 H new ATOM 487 N ALA A 34 19.608 -5.095 7.070 1.00 0.00 N ATOM 488 CA ALA A 34 20.130 -6.151 7.921 1.00 0.00 C ATOM 489 C ALA A 34 20.507 -7.357 7.059 1.00 0.00 C ATOM 490 O ALA A 34 21.363 -8.154 7.439 1.00 0.00 O ATOM 491 CB ALA A 34 19.097 -6.501 8.993 1.00 0.00 C ATOM 0 H ALA A 34 18.610 -4.913 7.180 1.00 0.00 H new ATOM 0 HA ALA A 34 21.032 -5.818 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.489 -7.293 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.887 -5.619 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.178 -6.841 8.516 1.00 0.00 H new ATOM 497 N GLY A 35 19.849 -7.454 5.913 1.00 0.00 N ATOM 498 CA GLY A 35 20.103 -8.549 4.993 1.00 0.00 C ATOM 499 C GLY A 35 18.796 -9.215 4.559 1.00 0.00 C ATOM 500 O GLY A 35 18.762 -9.926 3.556 1.00 0.00 O ATOM 0 H GLY A 35 19.140 -6.791 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.634 -8.177 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.750 -9.286 5.469 1.00 0.00 H new ATOM 504 N SER A 36 17.753 -8.960 5.335 1.00 0.00 N ATOM 505 CA SER A 36 16.447 -9.526 5.042 1.00 0.00 C ATOM 506 C SER A 36 15.442 -9.106 6.116 1.00 0.00 C ATOM 507 O SER A 36 15.787 -9.017 7.293 1.00 0.00 O ATOM 508 CB SER A 36 16.517 -11.052 4.950 1.00 0.00 C ATOM 509 OG SER A 36 17.077 -11.634 6.124 1.00 0.00 O ATOM 0 H SER A 36 17.786 -8.369 6.166 1.00 0.00 H new ATOM 0 HA SER A 36 16.118 -9.144 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.516 -11.452 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 36 17.115 -11.336 4.084 1.00 0.00 H new ATOM 0 HG SER A 36 17.102 -12.609 6.026 1.00 0.00 H new ATOM 515 N VAL A 37 14.219 -8.855 5.671 1.00 0.00 N ATOM 516 CA VAL A 37 13.162 -8.444 6.579 1.00 0.00 C ATOM 517 C VAL A 37 11.878 -9.201 6.234 1.00 0.00 C ATOM 518 O VAL A 37 11.663 -9.574 5.082 1.00 0.00 O ATOM 519 CB VAL A 37 12.993 -6.924 6.532 1.00 0.00 C ATOM 520 CG1 VAL A 37 12.940 -6.423 5.088 1.00 0.00 C ATOM 521 CG2 VAL A 37 11.749 -6.488 7.309 1.00 0.00 C ATOM 0 H VAL A 37 13.937 -8.928 4.694 1.00 0.00 H new ATOM 0 HA VAL A 37 13.421 -8.696 7.607 1.00 0.00 H new ATOM 0 HB VAL A 37 13.863 -6.475 7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.819 -5.340 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.866 -6.688 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.097 -6.884 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.651 -5.403 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.865 -6.952 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.843 -6.798 8.350 1.00 0.00 H new ATOM 531 N SER A 38 11.056 -9.404 7.254 1.00 0.00 N ATOM 532 CA SER A 38 9.799 -10.109 7.073 1.00 0.00 C ATOM 533 C SER A 38 8.823 -9.242 6.275 1.00 0.00 C ATOM 534 O SER A 38 9.018 -8.033 6.152 1.00 0.00 O ATOM 535 CB SER A 38 9.185 -10.496 8.420 1.00 0.00 C ATOM 536 OG SER A 38 9.879 -11.581 9.030 1.00 0.00 O ATOM 0 H SER A 38 11.237 -9.092 8.208 1.00 0.00 H new ATOM 0 HA SER A 38 9.998 -11.026 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.201 -9.634 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.139 -10.769 8.277 1.00 0.00 H new ATOM 0 HG SER A 38 9.458 -11.797 9.888 1.00 0.00 H new ATOM 542 N LYS A 39 7.793 -9.892 5.753 1.00 0.00 N ATOM 543 CA LYS A 39 6.786 -9.196 4.971 1.00 0.00 C ATOM 544 C LYS A 39 5.960 -8.297 5.894 1.00 0.00 C ATOM 545 O LYS A 39 5.609 -7.178 5.525 1.00 0.00 O ATOM 546 CB LYS A 39 5.946 -10.192 4.170 1.00 0.00 C ATOM 547 CG LYS A 39 4.587 -10.421 4.834 1.00 0.00 C ATOM 548 CD LYS A 39 3.873 -11.626 4.220 1.00 0.00 C ATOM 549 CE LYS A 39 3.915 -12.830 5.164 1.00 0.00 C ATOM 550 NZ LYS A 39 4.639 -13.957 4.534 1.00 0.00 N ATOM 0 H LYS A 39 7.634 -10.894 5.857 1.00 0.00 H new ATOM 0 HA LYS A 39 7.259 -8.548 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.801 -9.819 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.479 -11.139 4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.723 -10.581 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.968 -9.531 4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.837 -11.367 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.343 -11.887 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.405 -12.551 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.900 -13.137 5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.658 -14.766 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.155 -14.233 3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.613 -13.665 4.315 1.00 0.00 H new ATOM 564 N SER A 40 5.676 -8.821 7.077 1.00 0.00 N ATOM 565 CA SER A 40 4.899 -8.080 8.056 1.00 0.00 C ATOM 566 C SER A 40 5.343 -6.616 8.078 1.00 0.00 C ATOM 567 O SER A 40 4.656 -5.747 7.542 1.00 0.00 O ATOM 568 CB SER A 40 5.035 -8.697 9.450 1.00 0.00 C ATOM 569 OG SER A 40 6.389 -8.713 9.896 1.00 0.00 O ATOM 0 H SER A 40 5.970 -9.750 7.380 1.00 0.00 H new ATOM 0 HA SER A 40 3.849 -8.130 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.427 -8.133 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.646 -9.715 9.436 1.00 0.00 H new ATOM 0 HG SER A 40 6.487 -8.115 10.666 1.00 0.00 H new ATOM 575 N THR A 41 6.489 -6.389 8.704 1.00 0.00 N ATOM 576 CA THR A 41 7.033 -5.045 8.803 1.00 0.00 C ATOM 577 C THR A 41 6.999 -4.354 7.438 1.00 0.00 C ATOM 578 O THR A 41 6.580 -3.202 7.331 1.00 0.00 O ATOM 579 CB THR A 41 8.439 -5.147 9.396 1.00 0.00 C ATOM 580 OG1 THR A 41 8.214 -5.316 10.794 1.00 0.00 O ATOM 581 CG2 THR A 41 9.212 -3.829 9.302 1.00 0.00 C ATOM 0 H THR A 41 7.055 -7.112 9.147 1.00 0.00 H new ATOM 0 HA THR A 41 6.430 -4.422 9.463 1.00 0.00 H new ATOM 0 HB THR A 41 8.994 -5.931 8.881 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.074 -5.393 11.257 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.203 -3.957 9.737 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.310 -3.538 8.256 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.674 -3.052 9.846 1.00 0.00 H new ATOM 589 N GLN A 42 7.445 -5.086 6.428 1.00 0.00 N ATOM 590 CA GLN A 42 7.471 -4.558 5.075 1.00 0.00 C ATOM 591 C GLN A 42 6.097 -4.004 4.695 1.00 0.00 C ATOM 592 O GLN A 42 5.968 -2.825 4.367 1.00 0.00 O ATOM 593 CB GLN A 42 7.925 -5.626 4.078 1.00 0.00 C ATOM 594 CG GLN A 42 7.858 -5.102 2.642 1.00 0.00 C ATOM 595 CD GLN A 42 8.433 -6.122 1.657 1.00 0.00 C ATOM 596 OE1 GLN A 42 8.888 -7.191 2.027 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.388 -5.732 0.387 1.00 0.00 N ATOM 0 H GLN A 42 7.791 -6.041 6.520 1.00 0.00 H new ATOM 0 HA GLN A 42 8.193 -3.743 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.945 -5.934 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.295 -6.510 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.823 -4.882 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.412 -4.166 2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.993 -4.823 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.748 -6.342 -0.347 1.00 0.00 H new ATOM 606 N PHE A 43 5.104 -4.879 4.751 1.00 0.00 N ATOM 607 CA PHE A 43 3.744 -4.492 4.417 1.00 0.00 C ATOM 608 C PHE A 43 3.290 -3.301 5.265 1.00 0.00 C ATOM 609 O PHE A 43 2.674 -2.369 4.751 1.00 0.00 O ATOM 610 CB PHE A 43 2.848 -5.693 4.724 1.00 0.00 C ATOM 611 CG PHE A 43 1.387 -5.327 4.992 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.567 -5.003 3.956 1.00 0.00 C ATOM 613 CD2 PHE A 43 0.907 -5.327 6.264 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.789 -4.663 4.204 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.449 -4.988 6.512 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.269 -4.663 5.476 1.00 0.00 C ATOM 0 H PHE A 43 5.214 -5.856 5.023 1.00 0.00 H new ATOM 0 HA PHE A 43 3.687 -4.201 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.890 -6.388 3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.246 -6.217 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.947 -5.004 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.558 -5.585 7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.440 -4.404 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.830 -4.988 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.301 -4.405 5.664 1.00 0.00 H new ATOM 626 N GLU A 44 3.610 -3.373 6.548 1.00 0.00 N ATOM 627 CA GLU A 44 3.243 -2.314 7.471 1.00 0.00 C ATOM 628 C GLU A 44 3.840 -0.981 7.016 1.00 0.00 C ATOM 629 O GLU A 44 3.116 -0.092 6.569 1.00 0.00 O ATOM 630 CB GLU A 44 3.682 -2.652 8.898 1.00 0.00 C ATOM 631 CG GLU A 44 2.525 -3.252 9.700 1.00 0.00 C ATOM 632 CD GLU A 44 2.739 -3.053 11.202 1.00 0.00 C ATOM 633 OE1 GLU A 44 3.918 -3.081 11.616 1.00 0.00 O ATOM 634 OE2 GLU A 44 1.718 -2.878 11.902 1.00 0.00 O ATOM 0 H GLU A 44 4.120 -4.149 6.970 1.00 0.00 H new ATOM 0 HA GLU A 44 2.157 -2.222 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.513 -3.357 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.044 -1.751 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.587 -2.786 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.438 -4.316 9.479 1.00 0.00 H new ATOM 641 N TYR A 45 5.155 -0.884 7.143 1.00 0.00 N ATOM 642 CA TYR A 45 5.859 0.326 6.750 1.00 0.00 C ATOM 643 C TYR A 45 5.357 0.836 5.399 1.00 0.00 C ATOM 644 O TYR A 45 5.212 2.042 5.200 1.00 0.00 O ATOM 645 CB TYR A 45 7.332 -0.067 6.619 1.00 0.00 C ATOM 646 CG TYR A 45 8.163 0.908 5.784 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.217 2.243 6.132 1.00 0.00 C ATOM 648 CD2 TYR A 45 8.859 0.454 4.682 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.000 3.161 5.346 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.641 1.372 3.895 1.00 0.00 C ATOM 651 CZ TYR A 45 9.674 2.680 4.266 1.00 0.00 C ATOM 652 OH TYR A 45 10.413 3.547 3.524 1.00 0.00 O ATOM 0 H TYR A 45 5.752 -1.624 7.513 1.00 0.00 H new ATOM 0 HA TYR A 45 5.702 1.118 7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.768 -0.140 7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.395 -1.059 6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.672 2.599 6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.817 -0.590 4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.051 4.208 5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.189 1.030 3.030 1.00 0.00 H new ATOM 0 HH TYR A 45 10.206 4.466 3.793 1.00 0.00 H new ATOM 662 N ALA A 46 5.104 -0.107 4.502 1.00 0.00 N ATOM 663 CA ALA A 46 4.621 0.233 3.175 1.00 0.00 C ATOM 664 C ALA A 46 3.267 0.934 3.293 1.00 0.00 C ATOM 665 O ALA A 46 3.104 2.060 2.826 1.00 0.00 O ATOM 666 CB ALA A 46 4.550 -1.033 2.318 1.00 0.00 C ATOM 0 H ALA A 46 5.225 -1.106 4.669 1.00 0.00 H new ATOM 0 HA ALA A 46 5.306 0.923 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.188 -0.778 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.543 -1.476 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.869 -1.748 2.780 1.00 0.00 H new ATOM 672 N TRP A 47 2.329 0.238 3.920 1.00 0.00 N ATOM 673 CA TRP A 47 0.994 0.779 4.105 1.00 0.00 C ATOM 674 C TRP A 47 1.122 2.111 4.847 1.00 0.00 C ATOM 675 O TRP A 47 0.272 2.989 4.707 1.00 0.00 O ATOM 676 CB TRP A 47 0.091 -0.223 4.827 1.00 0.00 C ATOM 677 CG TRP A 47 -1.219 0.378 5.343 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.654 0.444 6.608 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.252 0.998 4.548 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.887 1.059 6.687 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.262 1.407 5.394 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.329 1.207 3.160 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.422 2.050 4.949 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.496 1.851 2.730 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.522 2.269 3.569 1.00 0.00 C ATOM 0 H TRP A 47 2.468 -0.696 4.306 1.00 0.00 H new ATOM 0 HA TRP A 47 0.515 0.961 3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.140 -1.043 4.147 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.639 -0.650 5.667 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.109 0.064 7.459 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.424 1.227 7.537 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.550 0.896 2.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.198 2.361 5.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.606 2.036 1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.392 2.760 3.159 1.00 0.00 H new ATOM 696 N CYS A 48 2.192 2.221 5.620 1.00 0.00 N ATOM 697 CA CYS A 48 2.443 3.430 6.385 1.00 0.00 C ATOM 698 C CYS A 48 2.800 4.551 5.406 1.00 0.00 C ATOM 699 O CYS A 48 2.285 5.662 5.515 1.00 0.00 O ATOM 700 CB CYS A 48 3.535 3.219 7.434 1.00 0.00 C ATOM 701 SG CYS A 48 2.781 2.797 9.047 1.00 0.00 S ATOM 0 H CYS A 48 2.896 1.492 5.733 1.00 0.00 H new ATOM 0 HA CYS A 48 1.547 3.705 6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.206 2.421 7.117 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.138 4.122 7.530 1.00 0.00 H new ATOM 0 HG CYS A 48 3.585 2.021 9.712 1.00 0.00 H new ATOM 707 N LEU A 49 3.680 4.220 4.473 1.00 0.00 N ATOM 708 CA LEU A 49 4.112 5.184 3.475 1.00 0.00 C ATOM 709 C LEU A 49 2.884 5.806 2.808 1.00 0.00 C ATOM 710 O LEU A 49 2.626 6.998 2.962 1.00 0.00 O ATOM 711 CB LEU A 49 5.087 4.536 2.490 1.00 0.00 C ATOM 712 CG LEU A 49 6.541 4.436 2.953 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.334 3.472 2.067 1.00 0.00 C ATOM 714 CD2 LEU A 49 7.193 5.818 3.022 1.00 0.00 C ATOM 0 H LEU A 49 4.106 3.297 4.387 1.00 0.00 H new ATOM 0 HA LEU A 49 4.665 5.997 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.729 3.532 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.061 5.102 1.559 1.00 0.00 H new ATOM 0 HG LEU A 49 6.549 4.026 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.365 3.419 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.884 2.481 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.319 3.829 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.226 5.717 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.173 6.280 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.645 6.444 3.727 1.00 0.00 H new ATOM 726 N VAL A 50 2.160 4.970 2.079 1.00 0.00 N ATOM 727 CA VAL A 50 0.965 5.422 1.386 1.00 0.00 C ATOM 728 C VAL A 50 0.172 6.354 2.304 1.00 0.00 C ATOM 729 O VAL A 50 -0.240 7.436 1.889 1.00 0.00 O ATOM 730 CB VAL A 50 0.150 4.219 0.907 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.832 3.533 -0.278 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.089 3.229 2.050 1.00 0.00 C ATOM 0 H VAL A 50 2.378 3.982 1.953 1.00 0.00 H new ATOM 0 HA VAL A 50 1.232 5.991 0.495 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.821 4.584 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.233 2.681 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.928 4.240 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.822 3.188 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.670 2.383 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.869 2.873 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.636 3.725 2.852 1.00 0.00 H new ATOM 742 N ARG A 51 -0.019 5.900 3.534 1.00 0.00 N ATOM 743 CA ARG A 51 -0.756 6.680 4.513 1.00 0.00 C ATOM 744 C ARG A 51 -0.132 8.069 4.665 1.00 0.00 C ATOM 745 O ARG A 51 -0.845 9.062 4.803 1.00 0.00 O ATOM 746 CB ARG A 51 -0.769 5.984 5.876 1.00 0.00 C ATOM 747 CG ARG A 51 -1.974 5.051 6.003 1.00 0.00 C ATOM 748 CD ARG A 51 -1.792 4.074 7.166 1.00 0.00 C ATOM 749 NE ARG A 51 -1.802 4.809 8.451 1.00 0.00 N ATOM 750 CZ ARG A 51 -1.763 4.220 9.654 1.00 0.00 C ATOM 751 NH1 ARG A 51 -1.710 2.884 9.745 1.00 0.00 N ATOM 752 NH2 ARG A 51 -1.776 4.967 10.766 1.00 0.00 N ATOM 0 H ARG A 51 0.324 5.002 3.875 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.781 6.775 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.151 5.415 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.797 6.731 6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.879 5.639 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.108 4.496 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.590 3.331 7.156 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.852 3.534 7.054 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.841 5.828 8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.699 2.315 8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.680 2.436 10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.816 5.984 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.746 4.519 11.682 1.00 0.00 H new ATOM 766 N SER A 52 1.192 8.095 4.632 1.00 0.00 N ATOM 767 CA SER A 52 1.920 9.345 4.764 1.00 0.00 C ATOM 768 C SER A 52 1.188 10.458 4.011 1.00 0.00 C ATOM 769 O SER A 52 0.412 10.187 3.097 1.00 0.00 O ATOM 770 CB SER A 52 3.353 9.206 4.244 1.00 0.00 C ATOM 771 OG SER A 52 4.145 10.351 4.550 1.00 0.00 O ATOM 0 H SER A 52 1.780 7.270 4.516 1.00 0.00 H new ATOM 0 HA SER A 52 1.970 9.602 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.813 8.320 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.334 9.056 3.165 1.00 0.00 H new ATOM 0 HG SER A 52 5.053 10.223 4.203 1.00 0.00 H new ATOM 777 N LYS A 53 1.464 11.687 4.423 1.00 0.00 N ATOM 778 CA LYS A 53 0.842 12.842 3.799 1.00 0.00 C ATOM 779 C LYS A 53 1.546 13.141 2.473 1.00 0.00 C ATOM 780 O LYS A 53 0.990 13.818 1.610 1.00 0.00 O ATOM 781 CB LYS A 53 0.822 14.028 4.765 1.00 0.00 C ATOM 782 CG LYS A 53 2.238 14.397 5.209 1.00 0.00 C ATOM 783 CD LYS A 53 2.661 15.746 4.623 1.00 0.00 C ATOM 784 CE LYS A 53 2.512 16.864 5.657 1.00 0.00 C ATOM 785 NZ LYS A 53 1.082 17.167 5.891 1.00 0.00 N ATOM 0 H LYS A 53 2.110 11.908 5.181 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.202 12.633 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.353 14.886 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.216 13.781 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.283 14.439 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.936 13.623 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.697 15.692 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.053 15.973 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.985 16.567 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.027 17.759 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.999 17.928 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.641 17.471 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.600 16.315 6.243 1.00 0.00 H new ATOM 799 N TYR A 54 2.758 12.621 2.353 1.00 0.00 N ATOM 800 CA TYR A 54 3.543 12.824 1.148 1.00 0.00 C ATOM 801 C TYR A 54 3.005 11.977 -0.007 1.00 0.00 C ATOM 802 O TYR A 54 2.112 11.154 0.187 1.00 0.00 O ATOM 803 CB TYR A 54 4.963 12.361 1.486 1.00 0.00 C ATOM 804 CG TYR A 54 5.847 13.455 2.090 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.406 14.171 3.184 1.00 0.00 C ATOM 806 CD2 TYR A 54 7.084 13.722 1.540 1.00 0.00 C ATOM 807 CE1 TYR A 54 6.238 15.201 3.751 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.915 14.751 2.109 1.00 0.00 C ATOM 809 CZ TYR A 54 7.452 15.440 3.186 1.00 0.00 C ATOM 810 OH TYR A 54 8.237 16.412 3.723 1.00 0.00 O ATOM 0 H TYR A 54 3.216 12.059 3.071 1.00 0.00 H new ATOM 0 HA TYR A 54 3.506 13.868 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.905 11.527 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.437 11.984 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.438 13.959 3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.428 13.160 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.905 15.771 4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.885 14.971 1.689 1.00 0.00 H new ATOM 0 HH TYR A 54 9.075 16.472 3.218 1.00 0.00 H new ATOM 820 N ASN A 55 3.572 12.206 -1.182 1.00 0.00 N ATOM 821 CA ASN A 55 3.160 11.474 -2.367 1.00 0.00 C ATOM 822 C ASN A 55 4.320 10.601 -2.852 1.00 0.00 C ATOM 823 O ASN A 55 4.108 9.484 -3.317 1.00 0.00 O ATOM 824 CB ASN A 55 2.782 12.429 -3.501 1.00 0.00 C ATOM 825 CG ASN A 55 1.321 12.869 -3.384 1.00 0.00 C ATOM 826 OD1 ASN A 55 0.558 12.368 -2.574 1.00 0.00 O ATOM 827 ND2 ASN A 55 0.977 13.833 -4.233 1.00 0.00 N ATOM 0 H ASN A 55 4.314 12.888 -1.339 1.00 0.00 H new ATOM 0 HA ASN A 55 2.294 10.866 -2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.432 13.304 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.942 11.940 -4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.024 14.198 -4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.666 14.208 -4.885 1.00 0.00 H new ATOM 834 N GLU A 56 5.521 11.146 -2.724 1.00 0.00 N ATOM 835 CA GLU A 56 6.715 10.431 -3.143 1.00 0.00 C ATOM 836 C GLU A 56 6.874 9.144 -2.333 1.00 0.00 C ATOM 837 O GLU A 56 7.534 8.204 -2.775 1.00 0.00 O ATOM 838 CB GLU A 56 7.957 11.316 -3.016 1.00 0.00 C ATOM 839 CG GLU A 56 8.067 12.279 -4.200 1.00 0.00 C ATOM 840 CD GLU A 56 9.352 13.106 -4.115 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.359 12.542 -3.637 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.298 14.282 -4.532 1.00 0.00 O ATOM 0 H GLU A 56 5.693 12.074 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 56 6.605 10.164 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.911 11.882 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.849 10.692 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.053 11.717 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.203 12.943 -4.215 1.00 0.00 H new ATOM 849 N ASP A 57 6.258 9.141 -1.159 1.00 0.00 N ATOM 850 CA ASP A 57 6.323 7.983 -0.283 1.00 0.00 C ATOM 851 C ASP A 57 5.262 6.967 -0.709 1.00 0.00 C ATOM 852 O ASP A 57 5.439 5.764 -0.518 1.00 0.00 O ATOM 853 CB ASP A 57 6.046 8.376 1.170 1.00 0.00 C ATOM 854 CG ASP A 57 7.155 9.184 1.844 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.794 9.982 1.124 1.00 0.00 O ATOM 856 OD2 ASP A 57 7.339 8.987 3.065 1.00 0.00 O ATOM 0 H ASP A 57 5.712 9.922 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 57 7.324 7.559 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.123 8.955 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.875 7.469 1.750 1.00 0.00 H new ATOM 861 N ILE A 58 4.185 7.486 -1.277 1.00 0.00 N ATOM 862 CA ILE A 58 3.095 6.638 -1.730 1.00 0.00 C ATOM 863 C ILE A 58 3.637 5.606 -2.722 1.00 0.00 C ATOM 864 O ILE A 58 3.492 4.403 -2.512 1.00 0.00 O ATOM 865 CB ILE A 58 1.953 7.488 -2.291 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.282 8.303 -1.183 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.949 6.621 -3.054 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.286 9.307 -1.768 1.00 0.00 C ATOM 0 H ILE A 58 4.043 8.484 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 58 2.669 6.085 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 58 2.372 8.198 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.767 7.633 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.040 8.832 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.147 7.249 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.454 6.123 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.530 5.872 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.177 9.873 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.809 9.991 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.484 8.773 -2.325 1.00 0.00 H new ATOM 880 N ARG A 59 4.250 6.115 -3.780 1.00 0.00 N ATOM 881 CA ARG A 59 4.815 5.253 -4.804 1.00 0.00 C ATOM 882 C ARG A 59 5.597 4.105 -4.160 1.00 0.00 C ATOM 883 O ARG A 59 5.524 2.966 -4.619 1.00 0.00 O ATOM 884 CB ARG A 59 5.746 6.036 -5.732 1.00 0.00 C ATOM 885 CG ARG A 59 5.034 7.256 -6.320 1.00 0.00 C ATOM 886 CD ARG A 59 5.796 7.807 -7.528 1.00 0.00 C ATOM 887 NE ARG A 59 5.333 9.178 -7.836 1.00 0.00 N ATOM 888 CZ ARG A 59 5.998 10.037 -8.620 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.159 9.672 -9.179 1.00 0.00 N ATOM 890 NH2 ARG A 59 5.502 11.262 -8.845 1.00 0.00 N ATOM 0 H ARG A 59 4.368 7.114 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 59 3.989 4.851 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.630 6.357 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.091 5.388 -6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.022 6.982 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.943 8.031 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.866 7.814 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.642 7.160 -8.391 1.00 0.00 H new ATOM 0 HE ARG A 59 4.452 9.489 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.537 8.740 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.665 10.326 -9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.618 11.540 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.009 11.916 -9.442 1.00 0.00 H new ATOM 904 N ARG A 60 6.325 4.445 -3.107 1.00 0.00 N ATOM 905 CA ARG A 60 7.118 3.457 -2.395 1.00 0.00 C ATOM 906 C ARG A 60 6.209 2.401 -1.763 1.00 0.00 C ATOM 907 O ARG A 60 6.270 1.227 -2.127 1.00 0.00 O ATOM 908 CB ARG A 60 7.962 4.114 -1.301 1.00 0.00 C ATOM 909 CG ARG A 60 9.388 4.375 -1.792 1.00 0.00 C ATOM 910 CD ARG A 60 9.660 5.875 -1.910 1.00 0.00 C ATOM 911 NE ARG A 60 10.802 6.112 -2.822 1.00 0.00 N ATOM 912 CZ ARG A 60 11.394 7.302 -2.991 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.956 8.371 -2.313 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.424 7.424 -3.841 1.00 0.00 N ATOM 0 H ARG A 60 6.383 5.391 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 60 7.783 2.983 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.501 5.053 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.988 3.471 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.102 3.925 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.536 3.897 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.773 6.386 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.877 6.292 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 60 11.161 5.320 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.171 8.279 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.407 9.277 -2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.757 6.611 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.875 8.330 -3.970 1.00 0.00 H new ATOM 928 N GLY A 61 5.386 2.856 -0.831 1.00 0.00 N ATOM 929 CA GLY A 61 4.466 1.965 -0.145 1.00 0.00 C ATOM 930 C GLY A 61 3.870 0.941 -1.114 1.00 0.00 C ATOM 931 O GLY A 61 3.497 -0.159 -0.708 1.00 0.00 O ATOM 0 H GLY A 61 5.337 3.831 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.987 1.448 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.666 2.546 0.314 1.00 0.00 H new ATOM 935 N ILE A 62 3.800 1.339 -2.375 1.00 0.00 N ATOM 936 CA ILE A 62 3.256 0.470 -3.405 1.00 0.00 C ATOM 937 C ILE A 62 4.273 -0.626 -3.731 1.00 0.00 C ATOM 938 O ILE A 62 4.030 -1.802 -3.467 1.00 0.00 O ATOM 939 CB ILE A 62 2.823 1.288 -4.623 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.808 2.364 -4.228 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.291 0.380 -5.733 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.672 3.420 -5.326 1.00 0.00 C ATOM 0 H ILE A 62 4.111 2.252 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 62 2.354 -0.027 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 62 3.700 1.801 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.838 1.903 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.120 2.839 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.990 0.987 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.072 -0.316 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.431 -0.179 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.945 4.172 -5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.638 3.896 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.336 2.945 -6.248 1.00 0.00 H new ATOM 954 N VAL A 63 5.391 -0.200 -4.300 1.00 0.00 N ATOM 955 CA VAL A 63 6.446 -1.130 -4.666 1.00 0.00 C ATOM 956 C VAL A 63 6.523 -2.244 -3.619 1.00 0.00 C ATOM 957 O VAL A 63 6.482 -3.424 -3.961 1.00 0.00 O ATOM 958 CB VAL A 63 7.768 -0.380 -4.838 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.533 1.029 -5.386 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.547 -0.333 -3.523 1.00 0.00 C ATOM 0 H VAL A 63 5.589 0.777 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 63 6.226 -1.599 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 63 8.370 -0.926 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.489 1.540 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.040 0.965 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.902 1.588 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.483 0.206 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.952 0.177 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.762 -1.349 -3.191 1.00 0.00 H new ATOM 970 N LEU A 64 6.631 -1.829 -2.366 1.00 0.00 N ATOM 971 CA LEU A 64 6.713 -2.776 -1.268 1.00 0.00 C ATOM 972 C LEU A 64 5.542 -3.757 -1.358 1.00 0.00 C ATOM 973 O LEU A 64 5.742 -4.950 -1.577 1.00 0.00 O ATOM 974 CB LEU A 64 6.798 -2.040 0.071 1.00 0.00 C ATOM 975 CG LEU A 64 7.631 -0.757 0.079 1.00 0.00 C ATOM 976 CD1 LEU A 64 7.800 -0.221 1.502 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.978 -0.973 -0.616 1.00 0.00 C ATOM 0 H LEU A 64 6.664 -0.849 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 64 7.628 -3.364 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.786 -1.795 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.212 -2.723 0.813 1.00 0.00 H new ATOM 0 HG LEU A 64 7.093 0.002 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.396 0.691 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.820 -0.004 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.304 -0.968 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.550 -0.046 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.534 -1.754 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.810 -1.274 -1.650 1.00 0.00 H new ATOM 989 N LEU A 65 4.344 -3.216 -1.183 1.00 0.00 N ATOM 990 CA LEU A 65 3.142 -4.029 -1.241 1.00 0.00 C ATOM 991 C LEU A 65 3.130 -4.824 -2.549 1.00 0.00 C ATOM 992 O LEU A 65 2.704 -5.977 -2.575 1.00 0.00 O ATOM 993 CB LEU A 65 1.898 -3.160 -1.039 1.00 0.00 C ATOM 994 CG LEU A 65 1.859 -2.335 0.248 1.00 0.00 C ATOM 995 CD1 LEU A 65 0.989 -1.089 0.075 1.00 0.00 C ATOM 996 CD2 LEU A 65 1.405 -3.190 1.434 1.00 0.00 C ATOM 0 H LEU A 65 4.181 -2.226 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 65 3.133 -4.754 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.813 -2.479 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.020 -3.806 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 65 2.871 -1.994 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.979 -0.521 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.395 -0.470 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.028 -1.388 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.386 -2.579 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.406 -3.581 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.099 -4.019 1.572 1.00 0.00 H new ATOM 1008 N GLU A 66 3.605 -4.175 -3.602 1.00 0.00 N ATOM 1009 CA GLU A 66 3.656 -4.807 -4.910 1.00 0.00 C ATOM 1010 C GLU A 66 4.617 -5.998 -4.887 1.00 0.00 C ATOM 1011 O GLU A 66 4.551 -6.869 -5.752 1.00 0.00 O ATOM 1012 CB GLU A 66 4.055 -3.800 -5.990 1.00 0.00 C ATOM 1013 CG GLU A 66 2.961 -2.751 -6.193 1.00 0.00 C ATOM 1014 CD GLU A 66 2.714 -2.496 -7.682 1.00 0.00 C ATOM 1015 OE1 GLU A 66 2.559 -3.500 -8.410 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.685 -1.305 -8.056 1.00 0.00 O ATOM 0 H GLU A 66 3.958 -3.218 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 66 2.659 -5.175 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.986 -3.309 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.241 -4.322 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.038 -3.087 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.249 -1.820 -5.704 1.00 0.00 H new ATOM 1023 N GLU A 67 5.488 -5.995 -3.889 1.00 0.00 N ATOM 1024 CA GLU A 67 6.462 -7.064 -3.742 1.00 0.00 C ATOM 1025 C GLU A 67 5.911 -8.162 -2.832 1.00 0.00 C ATOM 1026 O GLU A 67 6.277 -9.329 -2.968 1.00 0.00 O ATOM 1027 CB GLU A 67 7.791 -6.525 -3.210 1.00 0.00 C ATOM 1028 CG GLU A 67 8.782 -6.285 -4.350 1.00 0.00 C ATOM 1029 CD GLU A 67 10.105 -7.008 -4.090 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.080 -8.257 -4.100 1.00 0.00 O ATOM 1031 OE2 GLU A 67 11.111 -6.295 -3.885 1.00 0.00 O ATOM 0 H GLU A 67 5.540 -5.269 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 67 6.651 -7.496 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.620 -5.594 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.215 -7.233 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.352 -6.633 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.964 -5.216 -4.459 1.00 0.00 H new ATOM 1038 N LEU A 68 5.040 -7.751 -1.922 1.00 0.00 N ATOM 1039 CA LEU A 68 4.435 -8.686 -0.989 1.00 0.00 C ATOM 1040 C LEU A 68 3.244 -9.373 -1.661 1.00 0.00 C ATOM 1041 O LEU A 68 2.756 -10.392 -1.175 1.00 0.00 O ATOM 1042 CB LEU A 68 4.078 -7.981 0.321 1.00 0.00 C ATOM 1043 CG LEU A 68 5.251 -7.392 1.107 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.780 -6.809 2.441 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.361 -8.428 1.295 1.00 0.00 C ATOM 0 H LEU A 68 4.739 -6.783 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 68 5.145 -9.468 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.376 -7.178 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.557 -8.692 0.963 1.00 0.00 H new ATOM 0 HG LEU A 68 5.672 -6.571 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.633 -6.397 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.052 -6.019 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.319 -7.595 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.182 -7.983 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.969 -9.285 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.723 -8.754 0.320 1.00 0.00 H new ATOM 1057 N LEU A 69 2.813 -8.788 -2.769 1.00 0.00 N ATOM 1058 CA LEU A 69 1.689 -9.331 -3.512 1.00 0.00 C ATOM 1059 C LEU A 69 1.958 -10.803 -3.832 1.00 0.00 C ATOM 1060 O LEU A 69 1.235 -11.685 -3.369 1.00 0.00 O ATOM 1061 CB LEU A 69 1.401 -8.476 -4.748 1.00 0.00 C ATOM 1062 CG LEU A 69 0.126 -7.632 -4.698 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.096 -8.502 -4.398 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.269 -6.481 -3.701 1.00 0.00 C ATOM 0 H LEU A 69 3.222 -7.944 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 69 0.781 -9.296 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.248 -7.809 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.344 -9.134 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.029 -7.188 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.989 -7.877 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.206 -9.256 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.965 -8.994 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.651 -5.897 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.461 -6.883 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.099 -5.842 -4.000 1.00 0.00 H new ATOM 1076 N PRO A 70 3.027 -11.029 -4.641 1.00 0.00 N ATOM 1077 CA PRO A 70 3.400 -12.379 -5.028 1.00 0.00 C ATOM 1078 C PRO A 70 4.077 -13.114 -3.869 1.00 0.00 C ATOM 1079 O PRO A 70 4.067 -14.343 -3.817 1.00 0.00 O ATOM 1080 CB PRO A 70 4.309 -12.207 -6.233 1.00 0.00 C ATOM 1081 CG PRO A 70 4.784 -10.763 -6.194 1.00 0.00 C ATOM 1082 CD PRO A 70 3.905 -10.010 -5.207 1.00 0.00 C ATOM 0 HA PRO A 70 2.538 -12.997 -5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.152 -12.897 -6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.774 -12.417 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.829 -10.713 -5.890 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.719 -10.313 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.502 -9.527 -4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.333 -9.226 -5.704 1.00 0.00 H new ATOM 1090 N LYS A 71 4.651 -12.330 -2.968 1.00 0.00 N ATOM 1091 CA LYS A 71 5.332 -12.891 -1.813 1.00 0.00 C ATOM 1092 C LYS A 71 4.367 -12.926 -0.626 1.00 0.00 C ATOM 1093 O LYS A 71 4.798 -12.985 0.525 1.00 0.00 O ATOM 1094 CB LYS A 71 6.627 -12.126 -1.532 1.00 0.00 C ATOM 1095 CG LYS A 71 7.606 -12.257 -2.700 1.00 0.00 C ATOM 1096 CD LYS A 71 9.035 -11.939 -2.256 1.00 0.00 C ATOM 1097 CE LYS A 71 9.977 -11.856 -3.459 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.542 -13.188 -3.768 1.00 0.00 N ATOM 0 H LYS A 71 4.659 -11.311 -3.014 1.00 0.00 H new ATOM 0 HA LYS A 71 5.633 -13.920 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.402 -11.074 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.089 -12.508 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.563 -13.269 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.312 -11.581 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.049 -10.994 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.385 -12.708 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.437 -11.474 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.783 -11.152 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.179 -13.114 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.074 -13.538 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.771 -13.850 -3.989 1.00 0.00 H new ATOM 1112 N GLY A 72 3.083 -12.889 -0.946 1.00 0.00 N ATOM 1113 CA GLY A 72 2.054 -12.916 0.081 1.00 0.00 C ATOM 1114 C GLY A 72 1.583 -14.346 0.347 1.00 0.00 C ATOM 1115 O GLY A 72 1.968 -15.274 -0.364 1.00 0.00 O ATOM 0 H GLY A 72 2.730 -12.841 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.442 -12.480 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.208 -12.303 -0.230 1.00 0.00 H new ATOM 1119 N SER A 73 0.754 -14.481 1.372 1.00 0.00 N ATOM 1120 CA SER A 73 0.226 -15.784 1.740 1.00 0.00 C ATOM 1121 C SER A 73 -1.072 -16.057 0.977 1.00 0.00 C ATOM 1122 O SER A 73 -1.066 -16.756 -0.035 1.00 0.00 O ATOM 1123 CB SER A 73 -0.018 -15.873 3.248 1.00 0.00 C ATOM 1124 OG SER A 73 1.193 -16.074 3.973 1.00 0.00 O ATOM 0 H SER A 73 0.435 -13.710 1.959 1.00 0.00 H new ATOM 0 HA SER A 73 0.964 -16.540 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.499 -14.958 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.706 -16.692 3.456 1.00 0.00 H new ATOM 0 HG SER A 73 0.996 -16.124 4.932 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.153 -15.491 1.490 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.456 -15.665 0.869 1.00 0.00 C ATOM 1132 C LYS A 74 -4.368 -14.504 1.272 1.00 0.00 C ATOM 1133 O LYS A 74 -4.807 -13.731 0.422 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.030 -17.042 1.204 1.00 0.00 C ATOM 1135 CG LYS A 74 -4.824 -17.609 0.025 1.00 0.00 C ATOM 1136 CD LYS A 74 -6.080 -18.335 0.507 1.00 0.00 C ATOM 1137 CE LYS A 74 -5.912 -19.852 0.398 1.00 0.00 C ATOM 1138 NZ LYS A 74 -6.682 -20.537 1.461 1.00 0.00 N ATOM 0 H LYS A 74 -2.155 -14.911 2.329 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.366 -15.638 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.220 -17.724 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.676 -16.967 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.104 -16.801 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.197 -18.297 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.288 -18.062 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.938 -18.017 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.251 -20.192 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.857 -20.114 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.557 -21.566 1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.340 -20.226 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.690 -20.302 1.366 1.00 0.00 H new ATOM 1152 N GLU A 75 -4.624 -14.418 2.569 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.476 -13.365 3.096 1.00 0.00 C ATOM 1154 C GLU A 75 -4.684 -12.064 3.236 1.00 0.00 C ATOM 1155 O GLU A 75 -5.231 -11.042 3.649 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.096 -13.777 4.433 1.00 0.00 C ATOM 1157 CG GLU A 75 -5.032 -13.856 5.529 1.00 0.00 C ATOM 1158 CD GLU A 75 -5.293 -15.040 6.462 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -5.346 -16.174 5.939 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -5.432 -14.785 7.677 1.00 0.00 O ATOM 0 H GLU A 75 -4.256 -15.060 3.271 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.292 -13.198 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.865 -13.059 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.587 -14.744 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.045 -13.956 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.027 -12.930 6.104 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.409 -12.143 2.886 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.536 -10.984 2.970 1.00 0.00 C ATOM 1169 C GLU A 76 -2.442 -10.293 1.608 1.00 0.00 C ATOM 1170 O GLU A 76 -2.044 -9.132 1.523 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.149 -11.377 3.483 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.121 -11.414 5.012 1.00 0.00 C ATOM 1173 CD GLU A 76 0.102 -10.672 5.556 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.051 -9.423 5.566 1.00 0.00 O ATOM 1175 OE2 GLU A 76 1.062 -11.371 5.947 1.00 0.00 O ATOM 0 H GLU A 76 -2.959 -12.992 2.543 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.964 -10.281 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.874 -12.355 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.408 -10.666 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.031 -10.962 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.105 -12.449 5.354 1.00 0.00 H new ATOM 1182 N GLN A 77 -2.815 -11.035 0.576 1.00 0.00 N ATOM 1183 CA GLN A 77 -2.777 -10.508 -0.777 1.00 0.00 C ATOM 1184 C GLN A 77 -3.959 -9.566 -1.014 1.00 0.00 C ATOM 1185 O GLN A 77 -3.769 -8.407 -1.378 1.00 0.00 O ATOM 1186 CB GLN A 77 -2.764 -11.641 -1.806 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.363 -11.837 -2.389 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.435 -12.316 -3.841 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.226 -11.844 -4.639 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.565 -13.278 -4.136 1.00 0.00 N ATOM 0 H GLN A 77 -3.145 -11.997 0.650 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.855 -9.939 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.099 -12.566 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.467 -11.417 -2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.810 -10.899 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.814 -12.563 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.070 -13.628 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.533 -13.665 -5.079 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.151 -10.100 -0.797 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.364 -9.321 -0.982 1.00 0.00 C ATOM 1201 C ARG A 78 -6.331 -8.070 -0.102 1.00 0.00 C ATOM 1202 O ARG A 78 -7.075 -7.119 -0.338 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.607 -10.145 -0.636 1.00 0.00 C ATOM 1204 CG ARG A 78 -7.999 -9.957 0.830 1.00 0.00 C ATOM 1205 CD ARG A 78 -6.960 -10.586 1.760 1.00 0.00 C ATOM 1206 NE ARG A 78 -7.624 -11.132 2.966 1.00 0.00 N ATOM 1207 CZ ARG A 78 -8.085 -10.380 3.975 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -7.957 -9.047 3.931 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -8.673 -10.962 5.029 1.00 0.00 N ATOM 0 H ARG A 78 -5.304 -11.062 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.414 -9.031 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.435 -9.847 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.415 -11.200 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.094 -8.894 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.974 -10.409 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.426 -11.380 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.219 -9.840 2.049 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.738 -12.143 3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.508 -8.604 3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.308 -8.475 4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.770 -11.977 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.024 -10.390 5.797 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.460 -8.110 0.896 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.320 -6.991 1.813 1.00 0.00 C ATOM 1225 C ASP A 79 -4.338 -5.976 1.224 1.00 0.00 C ATOM 1226 O ASP A 79 -4.476 -4.773 1.445 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.769 -7.452 3.164 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.128 -6.350 4.010 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -4.735 -5.259 4.075 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -3.047 -6.624 4.573 1.00 0.00 O ATOM 0 H ASP A 79 -4.844 -8.900 1.090 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.305 -6.547 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.580 -7.903 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.029 -8.233 2.990 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.369 -6.496 0.486 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.365 -5.649 -0.137 1.00 0.00 C ATOM 1237 C TYR A 80 -2.989 -4.760 -1.213 1.00 0.00 C ATOM 1238 O TYR A 80 -2.981 -3.535 -1.093 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.362 -6.599 -0.795 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.544 -7.427 0.199 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.356 -6.970 1.487 1.00 0.00 C ATOM 1242 CD2 TYR A 80 0.005 -8.631 -0.194 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.413 -7.750 2.422 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.774 -9.410 0.741 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.940 -8.931 2.003 1.00 0.00 C ATOM 1246 OH TYR A 80 1.667 -9.668 2.886 1.00 0.00 O ATOM 0 H TYR A 80 -3.257 -7.494 0.305 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.900 -4.997 0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.900 -7.275 -1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.680 -6.018 -1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.785 -6.028 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.142 -8.988 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.568 -7.404 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.209 -10.354 0.447 1.00 0.00 H new ATOM 0 HH TYR A 80 1.572 -9.289 3.785 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.514 -5.409 -2.241 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.141 -4.691 -3.338 1.00 0.00 C ATOM 1258 C VAL A 81 -4.906 -3.487 -2.785 1.00 0.00 C ATOM 1259 O VAL A 81 -4.690 -2.357 -3.220 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.027 -5.642 -4.146 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -5.740 -4.898 -5.278 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.217 -6.820 -4.689 1.00 0.00 C ATOM 0 H VAL A 81 -3.518 -6.424 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.386 -4.308 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.788 -6.041 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.363 -5.596 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.365 -4.110 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.000 -4.457 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.871 -7.480 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.423 -6.448 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.778 -7.373 -3.859 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.782 -3.770 -1.832 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.579 -2.725 -1.214 1.00 0.00 C ATOM 1274 C PHE A 82 -5.768 -1.437 -1.059 1.00 0.00 C ATOM 1275 O PHE A 82 -6.244 -0.354 -1.400 1.00 0.00 O ATOM 1276 CB PHE A 82 -6.981 -3.230 0.174 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.850 -2.250 0.965 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.897 -1.627 0.359 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.577 -2.003 2.274 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.704 -0.718 1.093 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.385 -1.093 3.007 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.431 -0.471 2.402 1.00 0.00 C ATOM 0 H PHE A 82 -5.957 -4.709 -1.473 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.448 -2.504 -1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.520 -4.171 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.079 -3.444 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.114 -1.824 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.747 -2.498 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.534 -0.223 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.168 -0.895 4.046 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.045 0.219 2.961 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.557 -1.595 -0.544 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.676 -0.459 -0.340 1.00 0.00 C ATOM 1294 C TYR A 83 -3.115 0.046 -1.671 1.00 0.00 C ATOM 1295 O TYR A 83 -3.123 1.248 -1.936 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.522 -0.970 0.525 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.898 -1.200 1.989 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.171 -0.903 2.432 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -1.963 -1.706 2.870 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.525 -1.120 3.810 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.316 -1.924 4.249 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.580 -1.619 4.651 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.913 -1.825 5.953 1.00 0.00 O ATOM 0 H TYR A 83 -4.166 -2.494 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.215 0.365 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.152 -1.905 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.702 -0.253 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.903 -0.507 1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.966 -1.938 2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.518 -0.892 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.594 -2.320 4.948 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.479 -1.147 6.513 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.642 -0.896 -2.473 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.078 -0.561 -3.770 1.00 0.00 C ATOM 1315 C LEU A 84 -2.978 0.463 -4.463 1.00 0.00 C ATOM 1316 O LEU A 84 -2.489 1.428 -5.048 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.841 -1.829 -4.594 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.527 -2.566 -4.327 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.510 -3.165 -2.919 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.262 -3.621 -5.402 1.00 0.00 C ATOM 0 H LEU A 84 -2.638 -1.891 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.099 -0.097 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.665 -2.518 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.878 -1.564 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 84 0.287 -1.843 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.435 -3.683 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.619 -2.368 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.334 -3.871 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.678 -4.130 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.075 -4.347 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.200 -3.139 -6.378 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.277 0.218 -4.375 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.250 1.107 -4.986 1.00 0.00 C ATOM 1334 C ALA A 85 -5.263 2.438 -4.231 1.00 0.00 C ATOM 1335 O ALA A 85 -5.328 3.503 -4.844 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.622 0.432 -5.000 1.00 0.00 C ATOM 0 H ALA A 85 -4.678 -0.584 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.980 1.317 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.351 1.100 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.566 -0.493 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.928 0.208 -3.978 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.201 2.335 -2.912 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.205 3.516 -2.067 1.00 0.00 C ATOM 1344 C VAL A 86 -4.042 4.427 -2.467 1.00 0.00 C ATOM 1345 O VAL A 86 -4.245 5.601 -2.776 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.164 3.107 -0.593 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.566 4.220 0.269 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.557 2.716 -0.095 1.00 0.00 C ATOM 0 H VAL A 86 -5.148 1.450 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.126 4.082 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.518 2.233 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.549 3.903 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.549 4.431 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.173 5.120 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.501 2.429 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.234 3.564 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.930 1.876 -0.681 1.00 0.00 H new ATOM 1358 N GLY A 87 -2.848 3.853 -2.448 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.653 4.598 -2.805 1.00 0.00 C ATOM 1360 C GLY A 87 -1.712 5.066 -4.260 1.00 0.00 C ATOM 1361 O GLY A 87 -1.511 6.246 -4.545 1.00 0.00 O ATOM 0 H GLY A 87 -2.683 2.880 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.547 5.460 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.773 3.973 -2.656 1.00 0.00 H new ATOM 1365 N ASN A 88 -1.989 4.117 -5.142 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.077 4.418 -6.561 1.00 0.00 C ATOM 1367 C ASN A 88 -3.074 5.559 -6.775 1.00 0.00 C ATOM 1368 O ASN A 88 -2.745 6.567 -7.400 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.571 3.205 -7.351 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.408 2.287 -7.731 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.411 2.707 -8.296 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.589 1.015 -7.391 1.00 0.00 N ATOM 0 H ASN A 88 -2.155 3.140 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.082 4.695 -6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.297 2.651 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.085 3.539 -8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.869 0.324 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.448 0.730 -6.920 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.272 5.363 -6.244 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.318 6.364 -6.370 1.00 0.00 C ATOM 1381 C TYR A 89 -4.784 7.760 -6.044 1.00 0.00 C ATOM 1382 O TYR A 89 -5.031 8.711 -6.784 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.387 5.988 -5.341 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.292 7.150 -4.931 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.416 7.446 -5.675 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -6.986 7.903 -3.816 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.268 8.540 -5.289 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -7.838 8.997 -3.429 1.00 0.00 C ATOM 1389 CZ TYR A 89 -8.938 9.262 -4.185 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.743 10.296 -3.820 1.00 0.00 O ATOM 0 H TYR A 89 -4.542 4.527 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.706 6.387 -7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.004 5.187 -5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.897 5.591 -4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.656 6.856 -6.547 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.107 7.672 -3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.150 8.782 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.609 9.594 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.385 10.720 -3.013 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.062 7.839 -4.936 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.491 9.103 -4.503 1.00 0.00 C ATOM 1402 C ARG A 90 -2.661 9.724 -5.630 1.00 0.00 C ATOM 1403 O ARG A 90 -2.594 10.946 -5.755 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.604 8.913 -3.271 1.00 0.00 C ATOM 1405 CG ARG A 90 -2.925 9.958 -2.199 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.138 11.248 -2.437 1.00 0.00 C ATOM 1407 NE ARG A 90 -3.007 12.422 -2.204 1.00 0.00 N ATOM 1408 CZ ARG A 90 -3.507 12.761 -1.007 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -3.226 12.017 0.072 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -4.287 13.843 -0.889 1.00 0.00 N ATOM 0 H ARG A 90 -3.859 7.048 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.315 9.768 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.750 7.912 -2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.555 8.991 -3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.993 10.173 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.686 9.558 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.276 11.286 -1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.754 11.266 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.240 13.010 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.632 11.193 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.606 12.275 0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.501 14.409 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.667 14.101 0.022 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.051 8.854 -6.420 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.229 9.301 -7.532 1.00 0.00 C ATOM 1426 C LEU A 91 -2.107 9.480 -8.771 1.00 0.00 C ATOM 1427 O LEU A 91 -1.599 9.668 -9.875 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.051 8.347 -7.745 1.00 0.00 C ATOM 1429 CG LEU A 91 0.762 7.995 -6.498 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.472 6.651 -6.667 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.739 9.120 -6.147 1.00 0.00 C ATOM 0 H LEU A 91 -2.109 7.841 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.787 10.273 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.432 7.422 -8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.621 8.790 -8.479 1.00 0.00 H new ATOM 0 HG LEU A 91 0.074 7.891 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.043 6.425 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.733 5.868 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.147 6.701 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.305 8.846 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.425 9.279 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.183 10.038 -5.955 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.412 9.415 -8.546 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.366 9.568 -9.632 1.00 0.00 C ATOM 1445 C LYS A 92 -4.286 8.348 -10.550 1.00 0.00 C ATOM 1446 O LYS A 92 -4.590 8.440 -11.739 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.146 10.899 -10.355 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.305 12.078 -9.394 1.00 0.00 C ATOM 1449 CD LYS A 92 -4.667 13.357 -10.151 1.00 0.00 C ATOM 1450 CE LYS A 92 -4.368 14.598 -9.306 1.00 0.00 C ATOM 1451 NZ LYS A 92 -3.178 15.306 -9.828 1.00 0.00 N ATOM 0 H LYS A 92 -3.830 9.259 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.384 9.608 -9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.149 10.917 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.859 10.994 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.080 11.853 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.378 12.229 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.104 13.403 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.724 13.340 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.229 15.267 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.200 14.307 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.989 16.145 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.355 14.671 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.352 15.600 -10.810 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.878 7.232 -9.965 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.754 5.995 -10.717 1.00 0.00 C ATOM 1467 C GLU A 93 -5.036 5.169 -10.593 1.00 0.00 C ATOM 1468 O GLU A 93 -5.051 4.136 -9.925 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.537 5.191 -10.255 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.284 5.594 -11.036 1.00 0.00 C ATOM 1471 CD GLU A 93 -1.377 5.139 -12.494 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.144 3.933 -12.728 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -1.680 6.006 -13.341 1.00 0.00 O ATOM 0 H GLU A 93 -3.629 7.158 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.605 6.245 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.373 5.353 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.727 4.126 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.159 6.676 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.403 5.154 -10.569 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.081 5.653 -11.248 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.364 4.973 -11.218 1.00 0.00 C ATOM 1482 C TYR A 94 -7.307 3.662 -12.007 1.00 0.00 C ATOM 1483 O TYR A 94 -7.705 2.613 -11.503 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.358 5.919 -11.896 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.244 7.374 -11.437 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -8.070 7.664 -10.099 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.314 8.396 -12.361 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.964 9.034 -9.667 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.207 9.766 -11.929 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.037 10.017 -10.603 1.00 0.00 C ATOM 1491 OH TYR A 94 -7.935 11.310 -10.196 1.00 0.00 O ATOM 0 H TYR A 94 -6.065 6.509 -11.803 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.648 4.732 -10.194 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.207 5.876 -12.975 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.371 5.566 -11.702 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.013 6.864 -9.376 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.449 8.169 -13.408 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.830 9.275 -8.623 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.261 10.576 -12.642 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.789 11.768 -10.343 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.810 3.766 -13.230 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.696 2.602 -14.092 1.00 0.00 C ATOM 1503 C GLU A 95 -6.170 1.404 -13.300 1.00 0.00 C ATOM 1504 O GLU A 95 -6.801 0.348 -13.273 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.801 2.899 -15.298 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.463 3.908 -16.238 1.00 0.00 C ATOM 1507 CD GLU A 95 -7.172 3.198 -17.393 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -8.144 2.470 -17.100 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -6.725 3.402 -18.543 1.00 0.00 O ATOM 0 H GLU A 95 -6.482 4.638 -13.645 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.688 2.355 -14.469 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.843 3.290 -14.956 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.594 1.975 -15.838 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.180 4.512 -15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.710 4.590 -16.633 1.00 0.00 H new ATOM 1516 N LYS A 96 -5.020 1.607 -12.676 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.401 0.557 -11.885 1.00 0.00 C ATOM 1518 C LYS A 96 -5.211 0.345 -10.604 1.00 0.00 C ATOM 1519 O LYS A 96 -5.700 -0.754 -10.349 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.926 0.872 -11.634 1.00 0.00 C ATOM 1521 CG LYS A 96 -2.115 0.765 -12.928 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.772 -0.693 -13.240 1.00 0.00 C ATOM 1523 CE LYS A 96 -0.888 -0.794 -14.486 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.702 -2.209 -14.876 1.00 0.00 N ATOM 0 H LYS A 96 -4.500 2.484 -12.702 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.412 -0.387 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.830 1.877 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.525 0.183 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.683 1.194 -13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.198 1.347 -12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.259 -1.140 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.689 -1.261 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.343 -0.241 -15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.081 -0.334 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.100 -2.260 -15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.248 -2.727 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.627 -2.637 -15.083 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.327 1.416 -9.831 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.069 1.362 -8.584 1.00 0.00 C ATOM 1540 C ALA A 97 -7.322 0.508 -8.777 1.00 0.00 C ATOM 1541 O ALA A 97 -7.578 -0.411 -8.000 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.397 2.783 -8.122 1.00 0.00 C ATOM 0 H ALA A 97 -4.919 2.326 -10.045 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.470 0.896 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.954 2.742 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.472 3.339 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.999 3.282 -8.881 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.073 0.841 -9.817 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.293 0.116 -10.123 1.00 0.00 C ATOM 1550 C LEU A 98 -8.959 -1.357 -10.370 1.00 0.00 C ATOM 1551 O LEU A 98 -9.352 -2.225 -9.593 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.035 0.781 -11.283 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.001 1.907 -10.905 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -11.465 2.671 -12.147 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -12.178 1.367 -10.091 1.00 0.00 C ATOM 0 H LEU A 98 -7.859 1.604 -10.459 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.978 0.150 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.297 1.181 -11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.595 0.014 -11.818 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.469 2.617 -10.271 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.150 3.465 -11.851 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.601 3.106 -12.650 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.974 1.987 -12.826 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.850 2.186 -9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.718 0.626 -10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.806 0.904 -9.177 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.237 -1.592 -11.456 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.846 -2.944 -11.816 1.00 0.00 C ATOM 1569 C LYS A 99 -7.455 -3.711 -10.551 1.00 0.00 C ATOM 1570 O LYS A 99 -7.614 -4.928 -10.484 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.750 -2.919 -12.883 1.00 0.00 C ATOM 1572 CG LYS A 99 -7.157 -3.741 -14.107 1.00 0.00 C ATOM 1573 CD LYS A 99 -7.531 -2.832 -15.279 1.00 0.00 C ATOM 1574 CE LYS A 99 -6.301 -2.489 -16.122 1.00 0.00 C ATOM 1575 NZ LYS A 99 -5.916 -3.639 -16.968 1.00 0.00 N ATOM 0 H LYS A 99 -7.913 -0.869 -12.098 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.684 -3.476 -12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.552 -1.890 -13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.823 -3.314 -12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.336 -4.397 -14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.002 -4.381 -13.855 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.277 -3.325 -15.902 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.985 -1.915 -14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.513 -1.623 -16.749 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.471 -2.215 -15.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.243 -3.325 -17.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.471 -4.371 -16.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.763 -4.032 -17.426 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.949 -2.966 -9.579 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.533 -3.560 -8.320 1.00 0.00 C ATOM 1591 C TYR A 100 -7.709 -3.659 -7.345 1.00 0.00 C ATOM 1592 O TYR A 100 -7.867 -4.666 -6.658 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.480 -2.617 -7.735 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.052 -3.161 -7.802 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.818 -4.510 -7.631 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -2.996 -2.302 -8.033 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.474 -5.022 -7.694 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.652 -2.814 -8.096 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.457 -4.149 -7.923 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.187 -4.633 -7.982 1.00 0.00 O ATOM 0 H TYR A 100 -6.818 -1.956 -9.638 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.149 -4.567 -8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.521 -1.667 -8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.731 -2.410 -6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.644 -5.182 -7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.178 -1.246 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.278 -6.076 -7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.817 -2.153 -8.277 1.00 0.00 H new ATOM 0 HH TYR A 100 0.433 -3.901 -8.184 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.503 -2.599 -7.318 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.659 -2.554 -6.439 1.00 0.00 C ATOM 1612 C VAL A 101 -10.685 -3.593 -6.898 1.00 0.00 C ATOM 1613 O VAL A 101 -11.059 -4.480 -6.134 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.228 -1.133 -6.394 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.724 -1.131 -6.711 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -9.952 -0.474 -5.041 1.00 0.00 C ATOM 0 H VAL A 101 -8.369 -1.765 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.372 -2.808 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.723 -0.546 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.103 -0.110 -6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.885 -1.540 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.252 -1.742 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.367 0.534 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.416 -1.061 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.876 -0.425 -4.873 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.110 -3.448 -8.145 1.00 0.00 N ATOM 1627 CA ARG A 102 -12.085 -4.363 -8.714 1.00 0.00 C ATOM 1628 C ARG A 102 -11.597 -5.806 -8.582 1.00 0.00 C ATOM 1629 O ARG A 102 -12.399 -6.723 -8.414 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.336 -4.049 -10.190 1.00 0.00 C ATOM 1631 CG ARG A 102 -13.008 -2.685 -10.355 1.00 0.00 C ATOM 1632 CD ARG A 102 -12.020 -1.647 -10.890 1.00 0.00 C ATOM 1633 NE ARG A 102 -11.297 -2.192 -12.059 1.00 0.00 N ATOM 1634 CZ ARG A 102 -11.857 -2.400 -13.260 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -13.150 -2.109 -13.454 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -11.125 -2.899 -14.264 1.00 0.00 N ATOM 0 H ARG A 102 -10.797 -2.711 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.018 -4.240 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.391 -4.061 -10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.965 -4.824 -10.628 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.854 -2.773 -11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.405 -2.353 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.552 -0.738 -11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.311 -1.372 -10.109 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.310 -2.424 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.708 -1.730 -12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.577 -2.267 -14.367 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.141 -3.121 -14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.552 -3.057 -15.177 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.283 -5.964 -8.663 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.680 -7.281 -8.554 1.00 0.00 C ATOM 1652 C GLY A 103 -9.601 -7.729 -7.094 1.00 0.00 C ATOM 1653 O GLY A 103 -9.225 -8.865 -6.808 1.00 0.00 O ATOM 0 H GLY A 103 -9.620 -5.202 -8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.264 -8.001 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.680 -7.264 -8.987 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.960 -6.813 -6.206 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.935 -7.100 -4.782 1.00 0.00 C ATOM 1659 C LEU A 104 -11.363 -7.343 -4.289 1.00 0.00 C ATOM 1660 O LEU A 104 -11.574 -8.084 -3.330 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.204 -5.989 -4.025 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.169 -6.126 -2.501 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.451 -5.575 -1.871 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -8.903 -7.575 -2.088 1.00 0.00 C ATOM 0 H LEU A 104 -10.270 -5.871 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.371 -8.012 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.178 -5.943 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.674 -5.037 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.342 -5.526 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.400 -5.685 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.557 -4.520 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.310 -6.127 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.883 -7.646 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.694 -8.216 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.943 -7.898 -2.490 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.306 -6.707 -4.969 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.708 -6.845 -4.612 1.00 0.00 C ATOM 1678 C LEU A 105 -14.066 -8.331 -4.541 1.00 0.00 C ATOM 1679 O LEU A 105 -15.032 -8.709 -3.880 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.587 -6.045 -5.575 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.760 -4.560 -5.248 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.537 -4.373 -3.943 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.408 -3.844 -5.219 1.00 0.00 C ATOM 0 H LEU A 105 -12.127 -6.095 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.894 -6.424 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.165 -6.130 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.574 -6.508 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.350 -4.101 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.646 -3.309 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.523 -4.827 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.996 -4.850 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.559 -2.790 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.772 -4.297 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.928 -3.933 -6.193 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.270 -9.134 -5.232 1.00 0.00 N ATOM 1696 CA GLN A 106 -13.491 -10.569 -5.256 1.00 0.00 C ATOM 1697 C GLN A 106 -13.730 -11.093 -3.839 1.00 0.00 C ATOM 1698 O GLN A 106 -14.874 -11.284 -3.428 1.00 0.00 O ATOM 1699 CB GLN A 106 -12.319 -11.294 -5.918 1.00 0.00 C ATOM 1700 CG GLN A 106 -12.768 -12.018 -7.189 1.00 0.00 C ATOM 1701 CD GLN A 106 -12.324 -13.483 -7.171 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -11.158 -13.804 -7.016 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -13.318 -14.351 -7.338 1.00 0.00 N ATOM 0 H GLN A 106 -12.470 -8.817 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.382 -10.769 -5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.535 -10.577 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.889 -12.012 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.853 -11.964 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.351 -11.518 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.273 -14.015 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -13.125 -15.353 -7.341 1.00 0.00 H new ATOM 1712 N THR A 107 -12.633 -11.310 -3.130 1.00 0.00 N ATOM 1713 CA THR A 107 -12.709 -11.808 -1.767 1.00 0.00 C ATOM 1714 C THR A 107 -13.169 -10.699 -0.818 1.00 0.00 C ATOM 1715 O THR A 107 -13.308 -10.923 0.383 1.00 0.00 O ATOM 1716 CB THR A 107 -11.343 -12.394 -1.400 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.629 -13.308 -0.346 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.418 -11.359 -0.756 1.00 0.00 C ATOM 0 H THR A 107 -11.686 -11.150 -3.473 1.00 0.00 H new ATOM 0 HA THR A 107 -13.453 -12.599 -1.677 1.00 0.00 H new ATOM 0 HB THR A 107 -10.869 -12.799 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.263 -12.899 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.463 -11.825 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.255 -10.535 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.877 -10.979 0.157 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.393 -9.528 -1.395 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.835 -8.383 -0.616 1.00 0.00 C ATOM 1728 C GLU A 108 -14.964 -7.649 -1.343 1.00 0.00 C ATOM 1729 O GLU A 108 -14.828 -6.474 -1.682 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.668 -7.438 -0.320 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.537 -8.174 0.401 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.905 -8.452 1.860 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.909 -9.169 2.065 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.175 -7.942 2.738 1.00 0.00 O ATOM 0 H GLU A 108 -13.277 -9.347 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.219 -8.744 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.294 -7.013 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.015 -6.607 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.326 -9.114 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.626 -7.577 0.360 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.081 -8.392 -1.568 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.232 -7.825 -2.250 1.00 0.00 C ATOM 1743 C PRO A 109 -18.004 -6.879 -1.326 1.00 0.00 C ATOM 1744 O PRO A 109 -18.081 -5.680 -1.585 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.054 -9.022 -2.695 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.579 -10.192 -1.850 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.277 -9.786 -1.181 1.00 0.00 C ATOM 0 HA PRO A 109 -16.954 -7.210 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.119 -8.841 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -17.909 -9.223 -3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.328 -10.451 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.430 -11.075 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.339 -9.891 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.448 -10.410 -1.515 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.557 -7.457 -0.269 1.00 0.00 N ATOM 1756 CA GLN A 110 -19.320 -6.681 0.692 1.00 0.00 C ATOM 1757 C GLN A 110 -18.382 -6.013 1.701 1.00 0.00 C ATOM 1758 O GLN A 110 -18.836 -5.412 2.673 1.00 0.00 O ATOM 1759 CB GLN A 110 -20.356 -7.554 1.403 1.00 0.00 C ATOM 1760 CG GLN A 110 -19.748 -8.893 1.825 1.00 0.00 C ATOM 1761 CD GLN A 110 -20.518 -9.499 3.000 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -21.120 -8.807 3.804 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -20.463 -10.827 3.055 1.00 0.00 N ATOM 0 H GLN A 110 -18.491 -8.453 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.858 -5.901 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -20.737 -7.031 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -21.205 -7.728 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -19.761 -9.584 0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -18.704 -8.750 2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -19.941 -11.345 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -20.943 -11.327 3.803 1.00 0.00 H new ATOM 1772 N ASN A 111 -17.091 -6.142 1.434 1.00 0.00 N ATOM 1773 CA ASN A 111 -16.085 -5.560 2.305 1.00 0.00 C ATOM 1774 C ASN A 111 -16.324 -4.052 2.417 1.00 0.00 C ATOM 1775 O ASN A 111 -15.822 -3.407 3.336 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.678 -5.774 1.743 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.651 -4.926 2.496 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.761 -4.686 3.688 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.651 -4.488 1.739 1.00 0.00 N ATOM 0 H ASN A 111 -16.719 -6.641 0.626 1.00 0.00 H new ATOM 0 HA ASN A 111 -16.162 -6.044 3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.409 -6.828 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.662 -5.515 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.914 -3.914 2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.620 -4.726 0.748 1.00 0.00 H new ATOM 1786 N ASN A 112 -17.092 -3.535 1.468 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.405 -2.117 1.449 1.00 0.00 C ATOM 1788 C ASN A 112 -16.122 -1.319 1.201 1.00 0.00 C ATOM 1789 O ASN A 112 -16.006 -0.621 0.196 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.992 -1.663 2.788 1.00 0.00 C ATOM 1791 CG ASN A 112 -19.519 -1.751 2.774 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -20.177 -1.407 1.806 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -20.043 -2.227 3.899 1.00 0.00 N ATOM 0 H ASN A 112 -17.506 -4.073 0.707 1.00 0.00 H new ATOM 0 HA ASN A 112 -18.135 -1.944 0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.596 -2.283 3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.685 -0.638 2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -21.054 -2.323 3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -19.434 -2.497 4.671 1.00 0.00 H new ATOM 1800 N GLN A 113 -15.192 -1.451 2.135 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.922 -0.753 2.031 1.00 0.00 C ATOM 1802 C GLN A 113 -13.489 -0.655 0.567 1.00 0.00 C ATOM 1803 O GLN A 113 -13.038 0.397 0.118 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.848 -1.438 2.877 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.841 -0.889 4.305 1.00 0.00 C ATOM 1806 CD GLN A 113 -11.953 0.353 4.411 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -12.165 1.358 3.753 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -10.949 0.228 5.274 1.00 0.00 N ATOM 0 H GLN A 113 -15.293 -2.031 2.968 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.052 0.257 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -13.027 -2.513 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.870 -1.287 2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.858 -0.640 4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.483 -1.656 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.828 -0.642 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.300 1.002 5.417 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.640 -1.768 -0.137 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.270 -1.822 -1.541 1.00 0.00 C ATOM 1819 C ALA A 114 -14.349 -1.130 -2.375 1.00 0.00 C ATOM 1820 O ALA A 114 -14.043 -0.305 -3.234 1.00 0.00 O ATOM 1821 CB ALA A 114 -13.055 -3.278 -1.957 1.00 0.00 C ATOM 0 H ALA A 114 -14.014 -2.639 0.239 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.332 -1.293 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.777 -3.318 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.258 -3.715 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.976 -3.840 -1.803 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.593 -1.493 -2.094 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.720 -0.917 -2.808 1.00 0.00 C ATOM 1829 C LYS A 115 -16.507 0.590 -2.959 1.00 0.00 C ATOM 1830 O LYS A 115 -16.386 1.094 -4.075 1.00 0.00 O ATOM 1831 CB LYS A 115 -18.035 -1.287 -2.119 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.309 -2.788 -2.229 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.748 -3.052 -2.676 1.00 0.00 C ATOM 1834 CE LYS A 115 -19.780 -3.755 -4.034 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.177 -4.037 -4.439 1.00 0.00 N ATOM 0 H LYS A 115 -15.845 -2.179 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.786 -1.331 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.993 -0.997 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.856 -0.730 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.616 -3.237 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.130 -3.265 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.257 -3.666 -1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.292 -2.110 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.296 -3.130 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.215 -4.686 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.181 -4.514 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.627 -4.651 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.705 -3.144 -4.509 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.467 1.267 -1.822 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.270 2.706 -1.814 1.00 0.00 C ATOM 1851 C GLU A 116 -15.184 3.100 -2.816 1.00 0.00 C ATOM 1852 O GLU A 116 -15.464 3.767 -3.810 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.926 3.205 -0.409 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.194 3.520 0.388 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.102 4.900 1.041 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -16.711 5.844 0.321 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.426 4.981 2.245 1.00 0.00 O ATOM 0 H GLU A 116 -16.568 0.845 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.204 3.181 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.341 2.450 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.305 4.098 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.061 3.483 -0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.344 2.760 1.155 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.966 2.667 -2.521 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.837 2.966 -3.385 1.00 0.00 C ATOM 1866 C LEU A 117 -13.280 2.881 -4.845 1.00 0.00 C ATOM 1867 O LEU A 117 -13.231 3.873 -5.572 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.651 2.059 -3.048 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.394 2.763 -2.531 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.179 1.836 -2.601 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -10.155 4.077 -3.276 1.00 0.00 C ATOM 0 H LEU A 117 -13.737 2.112 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.488 3.985 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.973 1.336 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.386 1.494 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.550 3.012 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.299 2.360 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.360 0.952 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.010 1.535 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.256 4.556 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.029 3.875 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.010 4.738 -3.131 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.704 1.686 -5.233 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.156 1.460 -6.596 1.00 0.00 C ATOM 1885 C GLU A 118 -14.945 2.668 -7.102 1.00 0.00 C ATOM 1886 O GLU A 118 -14.573 3.284 -8.100 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.992 0.181 -6.689 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.453 -0.068 -8.127 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.902 -0.559 -8.161 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.682 -0.082 -7.308 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.196 -1.399 -9.038 1.00 0.00 O ATOM 0 H GLU A 118 -13.744 0.866 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.280 1.332 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.405 -0.668 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.859 0.260 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.363 0.851 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.804 -0.806 -8.598 1.00 0.00 H new ATOM 1898 N ARG A 119 -16.021 2.973 -6.390 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.867 4.097 -6.755 1.00 0.00 C ATOM 1900 C ARG A 119 -16.081 5.406 -6.654 1.00 0.00 C ATOM 1901 O ARG A 119 -16.194 6.270 -7.522 1.00 0.00 O ATOM 1902 CB ARG A 119 -18.096 4.177 -5.849 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.246 3.338 -6.409 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.571 4.099 -6.329 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.457 3.469 -5.325 1.00 0.00 N ATOM 1906 CZ ARG A 119 -22.255 2.423 -5.579 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -22.283 1.883 -6.805 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -23.025 1.917 -4.607 1.00 0.00 N ATOM 0 H ARG A 119 -16.326 2.461 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.197 3.945 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.839 3.827 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.413 5.215 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.037 3.074 -7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.325 2.405 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.387 5.139 -6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -21.057 4.102 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 119 -21.460 3.855 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -21.697 2.268 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -22.891 1.087 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -23.004 2.328 -3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -23.633 1.121 -4.800 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.301 5.510 -5.588 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.496 6.700 -5.364 1.00 0.00 C ATOM 1924 C LEU A 120 -13.636 6.969 -6.600 1.00 0.00 C ATOM 1925 O LEU A 120 -13.770 8.012 -7.238 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.689 6.564 -4.071 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.501 6.529 -2.775 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.611 6.184 -1.579 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -15.258 7.842 -2.566 1.00 0.00 C ATOM 0 H LEU A 120 -15.209 4.791 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 120 -15.135 7.572 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.097 5.651 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.987 7.396 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 120 -15.246 5.738 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -14.213 6.166 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.157 5.205 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.827 6.935 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.827 7.790 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.548 8.667 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.940 8.006 -3.401 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.772 6.011 -6.900 1.00 0.00 N ATOM 1942 CA ILE A 121 -11.890 6.133 -8.050 1.00 0.00 C ATOM 1943 C ILE A 121 -12.724 6.419 -9.299 1.00 0.00 C ATOM 1944 O ILE A 121 -12.347 7.250 -10.125 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.000 4.894 -8.175 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.057 4.772 -6.975 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.240 4.897 -9.502 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.167 3.389 -6.330 1.00 0.00 C ATOM 0 H ILE A 121 -12.663 5.148 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.210 6.975 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.641 4.012 -8.172 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.030 4.947 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.297 5.540 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.615 4.006 -9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -10.951 4.901 -10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.612 5.786 -9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.487 3.329 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.189 3.227 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -9.903 2.625 -7.061 1.00 0.00 H new ATOM 1960 N ASP A 122 -13.842 5.715 -9.400 1.00 0.00 N ATOM 1961 CA ASP A 122 -14.733 5.884 -10.535 1.00 0.00 C ATOM 1962 C ASP A 122 -14.951 7.377 -10.790 1.00 0.00 C ATOM 1963 O ASP A 122 -14.972 7.818 -11.938 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.097 5.247 -10.265 1.00 0.00 C ATOM 1965 CG ASP A 122 -16.892 4.865 -11.515 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -16.346 4.076 -12.316 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.029 5.370 -11.642 1.00 0.00 O ATOM 0 H ASP A 122 -14.151 5.026 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.274 5.401 -11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -15.950 4.353 -9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.693 5.940 -9.671 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.109 8.114 -9.700 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.324 9.548 -9.791 1.00 0.00 C ATOM 1974 C LYS A 123 -13.976 10.253 -9.951 1.00 0.00 C ATOM 1975 O LYS A 123 -13.851 11.189 -10.739 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.139 10.044 -8.594 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.634 9.798 -8.808 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.440 11.077 -8.568 1.00 0.00 C ATOM 1979 CE LYS A 123 -19.077 11.576 -9.866 1.00 0.00 C ATOM 1980 NZ LYS A 123 -20.526 11.280 -9.879 1.00 0.00 N ATOM 0 H LYS A 123 -15.092 7.745 -8.749 1.00 0.00 H new ATOM 0 HA LYS A 123 -15.917 9.789 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.809 9.534 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.960 11.109 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -17.806 9.441 -9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.978 9.015 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -19.217 10.888 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.789 11.849 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.918 12.650 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -18.595 11.101 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -20.943 11.625 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -20.671 10.253 -9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -20.984 11.753 -9.074 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.001 9.776 -9.192 1.00 0.00 N ATOM 1995 CA ALA A 124 -11.666 10.349 -9.240 1.00 0.00 C ATOM 1996 C ALA A 124 -11.294 10.642 -10.695 1.00 0.00 C ATOM 1997 O ALA A 124 -10.572 11.598 -10.973 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.677 9.397 -8.565 1.00 0.00 C ATOM 0 H ALA A 124 -13.108 8.999 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.633 11.292 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.676 9.827 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.970 9.245 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.680 8.440 -9.086 1.00 0.00 H new ATOM 2004 N MET A 125 -11.804 9.802 -11.583 1.00 0.00 N ATOM 2005 CA MET A 125 -11.535 9.959 -13.003 1.00 0.00 C ATOM 2006 C MET A 125 -12.322 11.136 -13.583 1.00 0.00 C ATOM 2007 O MET A 125 -11.769 11.956 -14.316 1.00 0.00 O ATOM 2008 CB MET A 125 -11.918 8.675 -13.740 1.00 0.00 C ATOM 2009 CG MET A 125 -11.288 7.451 -13.073 1.00 0.00 C ATOM 2010 SD MET A 125 -12.238 5.989 -13.457 1.00 0.00 S ATOM 2011 CE MET A 125 -10.973 4.989 -14.224 1.00 0.00 C ATOM 0 H MET A 125 -12.402 9.010 -11.347 1.00 0.00 H new ATOM 0 HA MET A 125 -10.471 10.159 -13.133 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.003 8.569 -13.753 1.00 0.00 H new ATOM 0 HB3 MET A 125 -11.592 8.736 -14.778 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.261 7.328 -13.417 1.00 0.00 H new ATOM 0 HG3 MET A 125 -11.248 7.595 -11.993 1.00 0.00 H new ATOM 0 HE1 MET A 125 -11.403 4.040 -14.543 1.00 0.00 H new ATOM 0 HE2 MET A 125 -10.570 5.514 -15.090 1.00 0.00 H new ATOM 0 HE3 MET A 125 -10.173 4.802 -13.508 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.599 11.182 -13.235 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.468 12.244 -13.712 1.00 0.00 C ATOM 2023 C LYS A 126 -14.332 13.460 -12.793 1.00 0.00 C ATOM 2024 O LYS A 126 -15.074 14.432 -12.929 1.00 0.00 O ATOM 2025 CB LYS A 126 -15.904 11.739 -13.855 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.277 11.553 -15.328 1.00 0.00 C ATOM 2027 CD LYS A 126 -17.277 12.619 -15.779 1.00 0.00 C ATOM 2028 CE LYS A 126 -16.930 13.140 -17.175 1.00 0.00 C ATOM 2029 NZ LYS A 126 -18.056 12.915 -18.107 1.00 0.00 N ATOM 0 H LYS A 126 -14.053 10.500 -12.628 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.167 12.563 -14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.015 10.792 -13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.590 12.446 -13.389 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -15.379 11.608 -15.944 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -16.705 10.562 -15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.283 12.200 -15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.278 13.445 -15.068 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -16.699 14.204 -17.125 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -16.037 12.637 -17.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.804 13.274 -19.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.258 11.897 -18.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.899 13.415 -17.760 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.378 13.367 -11.878 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.135 14.446 -10.937 1.00 0.00 C ATOM 2045 C LYS A 127 -11.914 15.249 -11.392 1.00 0.00 C ATOM 2046 O LYS A 127 -10.867 15.210 -10.749 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.015 13.899 -9.513 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.396 13.689 -8.889 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.276 13.173 -7.454 1.00 0.00 C ATOM 2050 CE LYS A 127 -15.455 13.646 -6.600 1.00 0.00 C ATOM 2051 NZ LYS A 127 -15.320 13.153 -5.211 1.00 0.00 N ATOM 0 H LYS A 127 -12.764 12.560 -11.769 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.981 15.133 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.471 12.955 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.437 14.591 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.949 14.628 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -14.966 12.979 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.239 12.084 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.341 13.522 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.500 14.735 -6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -16.390 13.287 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.128 13.483 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.300 12.113 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -14.437 13.516 -4.798 1.00 0.00 H new