USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc= -0.939 K(o=-3.1,f=-1.9) USER MOD Set 1.2: A 62 ASN : amide:sc= -2.15 K(o=-3.1,f=-2.1!) USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 1 K(o=1,f=-0.79) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.0308 (180deg=-0.292) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -109:sc= 1.27 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0821 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.679 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0373 (180deg=-0.257) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0279 (180deg=-0.295) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 2.45 (180deg=2.34) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 175:sc= -4.5 (180deg=-4.61!) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0.769 (180deg=0.762) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc=-0.00835 (180deg=-0.0898) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.0121 (180deg=-0.185) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0395 X(o=-0.039,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 86:sc= -0.436 USER MOD Single : A 91 ASN : amide:sc= 0.705 K(o=0.7,f=-7.6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 93 SER OG : rot -150:sc= 1.25 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.12) USER MOD Single : A 114 LYS NZ :NH3+ -116:sc= 1.16 (180deg=-1.49!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.093 10.664 12.277 1.00 0.00 N ATOM 2 CA ALA A 1 14.460 10.185 11.974 1.00 0.00 C ATOM 3 C ALA A 1 14.565 8.681 12.200 1.00 0.00 C ATOM 4 O ALA A 1 14.982 7.940 11.310 1.00 0.00 O ATOM 5 CB ALA A 1 15.484 10.921 12.824 1.00 0.00 C ATOM 0 H1 ALA A 1 13.041 11.690 12.117 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.411 10.182 11.657 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.865 10.456 13.270 1.00 0.00 H new ATOM 0 HA ALA A 1 14.669 10.391 10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.483 10.556 12.588 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.430 11.989 12.615 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.274 10.746 13.879 1.00 0.00 H new ATOM 11 N GLN A 2 14.184 8.230 13.390 1.00 0.00 N ATOM 12 CA GLN A 2 14.230 6.810 13.707 1.00 0.00 C ATOM 13 C GLN A 2 12.935 6.143 13.261 1.00 0.00 C ATOM 14 O GLN A 2 11.853 6.460 13.764 1.00 0.00 O ATOM 15 CB GLN A 2 14.445 6.587 15.208 1.00 0.00 C ATOM 16 CG GLN A 2 14.719 5.134 15.566 1.00 0.00 C ATOM 17 CD GLN A 2 16.012 4.623 14.961 1.00 0.00 C ATOM 18 OE1 GLN A 2 16.971 5.374 14.789 1.00 0.00 O ATOM 19 NE2 GLN A 2 16.045 3.348 14.615 1.00 0.00 N ATOM 0 H GLN A 2 13.842 8.824 14.146 1.00 0.00 H new ATOM 0 HA GLN A 2 15.071 6.365 13.175 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.281 7.201 15.544 1.00 0.00 H new ATOM 0 HB3 GLN A 2 13.562 6.927 15.749 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.763 5.032 16.650 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.890 4.515 15.221 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.230 2.755 14.773 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.885 2.957 14.190 1.00 0.00 H new ATOM 28 N ALA A 3 13.045 5.237 12.303 1.00 0.00 N ATOM 29 CA ALA A 3 11.879 4.560 11.763 1.00 0.00 C ATOM 30 C ALA A 3 12.044 3.050 11.822 1.00 0.00 C ATOM 31 O ALA A 3 11.087 2.330 12.121 1.00 0.00 O ATOM 32 CB ALA A 3 11.626 5.012 10.332 1.00 0.00 C ATOM 0 H ALA A 3 13.931 4.954 11.884 1.00 0.00 H new ATOM 0 HA ALA A 3 11.017 4.826 12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.750 4.498 9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.453 6.088 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.494 4.774 9.717 1.00 0.00 H new ATOM 38 N ASP A 4 13.262 2.582 11.545 1.00 0.00 N ATOM 39 CA ASP A 4 13.557 1.148 11.456 1.00 0.00 C ATOM 40 C ASP A 4 12.792 0.516 10.304 1.00 0.00 C ATOM 41 O ASP A 4 12.616 -0.702 10.248 1.00 0.00 O ATOM 42 CB ASP A 4 13.228 0.417 12.764 1.00 0.00 C ATOM 43 CG ASP A 4 14.302 0.588 13.817 1.00 0.00 C ATOM 44 OD1 ASP A 4 15.318 -0.136 13.750 1.00 0.00 O ATOM 45 OD2 ASP A 4 14.141 1.439 14.718 1.00 0.00 O ATOM 0 H ASP A 4 14.070 3.182 11.376 1.00 0.00 H new ATOM 0 HA ASP A 4 14.627 1.048 11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.280 0.788 13.154 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.093 -0.645 12.558 1.00 0.00 H new ATOM 50 N GLY A 5 12.354 1.355 9.380 1.00 0.00 N ATOM 51 CA GLY A 5 11.587 0.888 8.254 1.00 0.00 C ATOM 52 C GLY A 5 10.246 1.571 8.170 1.00 0.00 C ATOM 53 O GLY A 5 10.001 2.555 8.872 1.00 0.00 O ATOM 0 H GLY A 5 12.520 2.361 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.145 1.067 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.442 -0.189 8.334 1.00 0.00 H new ATOM 57 N ILE A 6 9.373 1.056 7.324 1.00 0.00 N ATOM 58 CA ILE A 6 8.054 1.640 7.152 1.00 0.00 C ATOM 59 C ILE A 6 7.089 1.086 8.193 1.00 0.00 C ATOM 60 O ILE A 6 6.880 -0.127 8.282 1.00 0.00 O ATOM 61 CB ILE A 6 7.487 1.374 5.742 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.488 1.812 4.670 1.00 0.00 C ATOM 63 CG2 ILE A 6 6.166 2.110 5.563 1.00 0.00 C ATOM 64 CD1 ILE A 6 8.026 1.540 3.253 1.00 0.00 C ATOM 0 H ILE A 6 9.552 0.235 6.745 1.00 0.00 H new ATOM 0 HA ILE A 6 8.161 2.717 7.281 1.00 0.00 H new ATOM 0 HB ILE A 6 7.312 0.304 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.681 2.879 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.434 1.298 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.774 1.916 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.451 1.761 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.326 3.181 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.788 1.878 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.861 0.470 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.096 2.076 3.064 1.00 0.00 H new ATOM 76 N ALA A 7 6.517 1.976 8.987 1.00 0.00 N ATOM 77 CA ALA A 7 5.565 1.582 10.010 1.00 0.00 C ATOM 78 C ALA A 7 4.193 1.308 9.405 1.00 0.00 C ATOM 79 O ALA A 7 3.378 2.218 9.241 1.00 0.00 O ATOM 80 CB ALA A 7 5.470 2.652 11.087 1.00 0.00 C ATOM 0 H ALA A 7 6.697 2.979 8.942 1.00 0.00 H new ATOM 0 HA ALA A 7 5.921 0.659 10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.752 2.341 11.846 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.448 2.792 11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.142 3.590 10.640 1.00 0.00 H new ATOM 86 N PHE A 8 3.966 0.059 9.031 1.00 0.00 N ATOM 87 CA PHE A 8 2.665 -0.369 8.556 1.00 0.00 C ATOM 88 C PHE A 8 1.764 -0.713 9.730 1.00 0.00 C ATOM 89 O PHE A 8 2.137 -1.502 10.603 1.00 0.00 O ATOM 90 CB PHE A 8 2.795 -1.583 7.637 1.00 0.00 C ATOM 91 CG PHE A 8 3.364 -1.270 6.285 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.564 -0.722 5.296 1.00 0.00 C ATOM 93 CD2 PHE A 8 4.692 -1.536 5.999 1.00 0.00 C ATOM 94 CE1 PHE A 8 3.079 -0.445 4.045 1.00 0.00 C ATOM 95 CE2 PHE A 8 5.212 -1.260 4.752 1.00 0.00 C ATOM 96 CZ PHE A 8 4.405 -0.714 3.771 1.00 0.00 C ATOM 0 H PHE A 8 4.671 -0.678 9.048 1.00 0.00 H new ATOM 0 HA PHE A 8 2.224 0.452 7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.428 -2.326 8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.812 -2.036 7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.526 -0.509 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.327 -1.964 6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.445 -0.018 3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.250 -1.470 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.811 -0.499 2.794 1.00 0.00 H new ATOM 106 N ARG A 9 0.590 -0.114 9.756 1.00 0.00 N ATOM 107 CA ARG A 9 -0.390 -0.400 10.789 1.00 0.00 C ATOM 108 C ARG A 9 -1.325 -1.496 10.298 1.00 0.00 C ATOM 109 O ARG A 9 -1.409 -1.749 9.095 1.00 0.00 O ATOM 110 CB ARG A 9 -1.195 0.858 11.134 1.00 0.00 C ATOM 111 CG ARG A 9 -0.333 2.080 11.422 1.00 0.00 C ATOM 112 CD ARG A 9 -1.166 3.255 11.915 1.00 0.00 C ATOM 113 NE ARG A 9 -1.736 2.996 13.237 1.00 0.00 N ATOM 114 CZ ARG A 9 -2.341 3.914 13.988 1.00 0.00 C ATOM 115 NH1 ARG A 9 -2.520 5.151 13.535 1.00 0.00 N ATOM 116 NH2 ARG A 9 -2.780 3.587 15.198 1.00 0.00 N ATOM 0 H ARG A 9 0.289 0.578 9.070 1.00 0.00 H new ATOM 0 HA ARG A 9 0.127 -0.731 11.689 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.867 1.086 10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.819 0.652 12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.418 1.827 12.171 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.203 2.368 10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.545 4.150 11.955 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.969 3.455 11.205 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.665 2.049 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.192 5.405 12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.985 5.846 14.119 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.653 2.637 15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.244 4.286 15.778 1.00 0.00 H new ATOM 130 N GLU A 10 -2.008 -2.157 11.218 1.00 0.00 N ATOM 131 CA GLU A 10 -2.987 -3.164 10.849 1.00 0.00 C ATOM 132 C GLU A 10 -4.324 -2.826 11.500 1.00 0.00 C ATOM 133 O GLU A 10 -4.574 -3.160 12.660 1.00 0.00 O ATOM 134 CB GLU A 10 -2.503 -4.561 11.258 1.00 0.00 C ATOM 135 CG GLU A 10 -3.316 -5.699 10.657 1.00 0.00 C ATOM 136 CD GLU A 10 -2.708 -7.060 10.942 1.00 0.00 C ATOM 137 OE1 GLU A 10 -2.986 -7.629 12.016 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.945 -7.569 10.093 1.00 0.00 O ATOM 0 H GLU A 10 -1.903 -2.015 12.223 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.116 -3.169 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.461 -4.675 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.533 -4.641 12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.330 -5.667 11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.392 -5.557 9.579 1.00 0.00 H new ATOM 145 N LEU A 11 -5.157 -2.120 10.750 1.00 0.00 N ATOM 146 CA LEU A 11 -6.429 -1.641 11.236 1.00 0.00 C ATOM 147 C LEU A 11 -7.552 -2.094 10.318 1.00 0.00 C ATOM 148 O LEU A 11 -7.312 -2.466 9.165 1.00 0.00 O ATOM 149 CB LEU A 11 -6.411 -0.116 11.288 1.00 0.00 C ATOM 150 CG LEU A 11 -5.362 0.510 12.213 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.392 2.027 12.102 1.00 0.00 C ATOM 152 CD2 LEU A 11 -5.598 0.085 13.651 1.00 0.00 C ATOM 0 H LEU A 11 -4.962 -1.865 9.782 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.598 -2.047 12.233 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.248 0.261 10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.396 0.229 11.602 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.378 0.157 11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.641 2.455 12.766 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.178 2.321 11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.378 2.393 12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.843 0.539 14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.589 0.411 13.969 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.532 -1.000 13.725 1.00 0.00 H new ATOM 164 N SER A 12 -8.774 -2.058 10.828 1.00 0.00 N ATOM 165 CA SER A 12 -9.945 -2.383 10.030 1.00 0.00 C ATOM 166 C SER A 12 -10.205 -1.299 8.983 1.00 0.00 C ATOM 167 O SER A 12 -9.693 -0.181 9.093 1.00 0.00 O ATOM 168 CB SER A 12 -11.162 -2.550 10.939 1.00 0.00 C ATOM 169 OG SER A 12 -10.911 -3.516 11.945 1.00 0.00 O ATOM 0 H SER A 12 -8.980 -1.806 11.795 1.00 0.00 H new ATOM 0 HA SER A 12 -9.762 -3.321 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.411 -1.594 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.025 -2.852 10.346 1.00 0.00 H new ATOM 0 HG SER A 12 -11.702 -3.606 12.517 1.00 0.00 H new ATOM 175 N PHE A 13 -11.007 -1.635 7.981 1.00 0.00 N ATOM 176 CA PHE A 13 -11.300 -0.728 6.872 1.00 0.00 C ATOM 177 C PHE A 13 -11.915 0.600 7.357 1.00 0.00 C ATOM 178 O PHE A 13 -11.407 1.669 7.011 1.00 0.00 O ATOM 179 CB PHE A 13 -12.210 -1.434 5.857 1.00 0.00 C ATOM 180 CG PHE A 13 -12.450 -0.669 4.585 1.00 0.00 C ATOM 181 CD1 PHE A 13 -11.417 -0.441 3.692 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.716 -0.197 4.274 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.640 0.244 2.514 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.943 0.491 3.098 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.904 0.711 2.216 1.00 0.00 C ATOM 0 H PHE A 13 -11.473 -2.540 7.911 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.361 -0.468 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.770 -2.399 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.171 -1.635 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.425 -0.803 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.533 -0.369 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.825 0.414 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.933 0.857 2.869 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.080 1.247 1.295 1.00 0.00 H new ATOM 195 N PRO A 14 -13.006 0.570 8.169 1.00 0.00 N ATOM 196 CA PRO A 14 -13.587 1.796 8.737 1.00 0.00 C ATOM 197 C PRO A 14 -12.563 2.611 9.518 1.00 0.00 C ATOM 198 O PRO A 14 -12.469 3.829 9.356 1.00 0.00 O ATOM 199 CB PRO A 14 -14.672 1.290 9.690 1.00 0.00 C ATOM 200 CG PRO A 14 -14.994 -0.090 9.238 1.00 0.00 C ATOM 201 CD PRO A 14 -13.760 -0.633 8.573 1.00 0.00 C ATOM 0 HA PRO A 14 -13.961 2.455 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.319 1.292 10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.554 1.929 9.654 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.284 -0.715 10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.835 -0.082 8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.181 -1.255 9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.012 -1.253 7.712 1.00 0.00 H new ATOM 209 N GLU A 15 -11.795 1.919 10.354 1.00 0.00 N ATOM 210 CA GLU A 15 -10.804 2.529 11.203 1.00 0.00 C ATOM 211 C GLU A 15 -9.794 3.320 10.378 1.00 0.00 C ATOM 212 O GLU A 15 -9.578 4.511 10.613 1.00 0.00 O ATOM 213 CB GLU A 15 -10.090 1.424 11.971 1.00 0.00 C ATOM 214 CG GLU A 15 -9.367 1.915 13.193 1.00 0.00 C ATOM 215 CD GLU A 15 -10.186 1.766 14.458 1.00 0.00 C ATOM 216 OE1 GLU A 15 -11.283 2.355 14.541 1.00 0.00 O ATOM 217 OE2 GLU A 15 -9.732 1.055 15.380 1.00 0.00 O ATOM 0 H GLU A 15 -11.852 0.906 10.454 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.290 3.221 11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.819 0.670 12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.376 0.934 11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.433 1.364 13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.104 2.964 13.057 1.00 0.00 H new ATOM 224 N ALA A 16 -9.196 2.648 9.402 1.00 0.00 N ATOM 225 CA ALA A 16 -8.156 3.245 8.574 1.00 0.00 C ATOM 226 C ALA A 16 -8.661 4.484 7.843 1.00 0.00 C ATOM 227 O ALA A 16 -8.020 5.538 7.883 1.00 0.00 O ATOM 228 CB ALA A 16 -7.626 2.226 7.579 1.00 0.00 C ATOM 0 H ALA A 16 -9.416 1.681 9.163 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.346 3.557 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.850 2.685 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.208 1.375 8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.440 1.886 6.938 1.00 0.00 H new ATOM 234 N LEU A 17 -9.815 4.359 7.191 1.00 0.00 N ATOM 235 CA LEU A 17 -10.371 5.459 6.412 1.00 0.00 C ATOM 236 C LEU A 17 -10.661 6.665 7.292 1.00 0.00 C ATOM 237 O LEU A 17 -10.192 7.770 7.020 1.00 0.00 O ATOM 238 CB LEU A 17 -11.663 5.043 5.702 1.00 0.00 C ATOM 239 CG LEU A 17 -11.539 3.905 4.689 1.00 0.00 C ATOM 240 CD1 LEU A 17 -12.838 3.754 3.922 1.00 0.00 C ATOM 241 CD2 LEU A 17 -10.383 4.146 3.733 1.00 0.00 C ATOM 0 H LEU A 17 -10.380 3.510 7.187 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.622 5.726 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.391 4.751 6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.069 5.915 5.190 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.336 2.982 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.743 2.941 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.647 3.530 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.059 4.682 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.319 3.321 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.547 5.078 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.453 4.213 4.297 1.00 0.00 H new ATOM 253 N LYS A 18 -11.421 6.441 8.358 1.00 0.00 N ATOM 254 CA LYS A 18 -11.882 7.529 9.208 1.00 0.00 C ATOM 255 C LYS A 18 -10.723 8.220 9.919 1.00 0.00 C ATOM 256 O LYS A 18 -10.685 9.449 9.999 1.00 0.00 O ATOM 257 CB LYS A 18 -12.898 7.022 10.229 1.00 0.00 C ATOM 258 CG LYS A 18 -13.419 8.119 11.140 1.00 0.00 C ATOM 259 CD LYS A 18 -14.549 7.628 12.025 1.00 0.00 C ATOM 260 CE LYS A 18 -15.095 8.748 12.893 1.00 0.00 C ATOM 261 NZ LYS A 18 -15.683 9.851 12.086 1.00 0.00 N ATOM 0 H LYS A 18 -11.730 5.515 8.653 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.364 8.263 8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.736 6.565 9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.438 6.242 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.605 8.491 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.768 8.957 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.349 7.222 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.192 6.816 12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.854 8.347 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.294 9.144 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.261 10.460 12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.920 10.414 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.280 9.451 11.334 1.00 0.00 H new ATOM 275 N ARG A 19 -9.773 7.440 10.422 1.00 0.00 N ATOM 276 CA ARG A 19 -8.635 7.992 11.113 1.00 0.00 C ATOM 277 C ARG A 19 -7.843 8.901 10.175 1.00 0.00 C ATOM 278 O ARG A 19 -7.383 9.975 10.570 1.00 0.00 O ATOM 279 CB ARG A 19 -7.754 6.862 11.643 1.00 0.00 C ATOM 280 CG ARG A 19 -6.539 7.369 12.374 1.00 0.00 C ATOM 281 CD ARG A 19 -6.926 8.052 13.678 1.00 0.00 C ATOM 282 NE ARG A 19 -5.821 8.808 14.267 1.00 0.00 N ATOM 283 CZ ARG A 19 -5.843 9.315 15.499 1.00 0.00 C ATOM 284 NH1 ARG A 19 -6.845 9.021 16.320 1.00 0.00 N ATOM 285 NH2 ARG A 19 -4.848 10.086 15.922 1.00 0.00 N ATOM 0 H ARG A 19 -9.777 6.422 10.359 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.981 8.589 11.957 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.340 6.233 12.313 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.437 6.233 10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.864 6.539 12.582 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.996 8.070 11.740 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.765 8.724 13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.267 7.301 14.390 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.985 8.956 13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.597 8.407 16.007 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.862 9.409 17.263 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.064 10.292 15.303 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.868 10.472 16.866 1.00 0.00 H new ATOM 299 N ALA A 20 -7.723 8.474 8.923 1.00 0.00 N ATOM 300 CA ALA A 20 -7.018 9.250 7.914 1.00 0.00 C ATOM 301 C ALA A 20 -7.799 10.510 7.563 1.00 0.00 C ATOM 302 O ALA A 20 -7.227 11.587 7.437 1.00 0.00 O ATOM 303 CB ALA A 20 -6.766 8.413 6.668 1.00 0.00 C ATOM 0 H ALA A 20 -8.107 7.592 8.583 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.054 9.547 8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.238 9.013 5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.161 7.545 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.718 8.081 6.254 1.00 0.00 H new ATOM 309 N GLU A 21 -9.110 10.369 7.429 1.00 0.00 N ATOM 310 CA GLU A 21 -9.981 11.493 7.101 1.00 0.00 C ATOM 311 C GLU A 21 -9.876 12.601 8.151 1.00 0.00 C ATOM 312 O GLU A 21 -9.949 13.789 7.828 1.00 0.00 O ATOM 313 CB GLU A 21 -11.430 11.010 6.992 1.00 0.00 C ATOM 314 CG GLU A 21 -12.417 12.098 6.603 1.00 0.00 C ATOM 315 CD GLU A 21 -13.829 11.572 6.443 1.00 0.00 C ATOM 316 OE1 GLU A 21 -14.477 11.266 7.467 1.00 0.00 O ATOM 317 OE2 GLU A 21 -14.298 11.458 5.289 1.00 0.00 O ATOM 0 H GLU A 21 -9.599 9.481 7.543 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.661 11.905 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.480 10.208 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.733 10.584 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.408 12.880 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.096 12.558 5.668 1.00 0.00 H new ATOM 324 N VAL A 22 -9.700 12.208 9.405 1.00 0.00 N ATOM 325 CA VAL A 22 -9.661 13.165 10.501 1.00 0.00 C ATOM 326 C VAL A 22 -8.248 13.705 10.746 1.00 0.00 C ATOM 327 O VAL A 22 -8.032 14.918 10.736 1.00 0.00 O ATOM 328 CB VAL A 22 -10.202 12.549 11.812 1.00 0.00 C ATOM 329 CG1 VAL A 22 -10.195 13.577 12.931 1.00 0.00 C ATOM 330 CG2 VAL A 22 -11.606 11.998 11.611 1.00 0.00 C ATOM 0 H VAL A 22 -9.582 11.235 9.688 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.303 13.993 10.201 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.546 11.726 12.093 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.579 13.123 13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.176 13.924 13.100 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.825 14.422 12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.966 11.570 12.546 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.272 12.803 11.300 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.587 11.226 10.842 1.00 0.00 H new ATOM 340 N GLU A 23 -7.291 12.811 10.958 1.00 0.00 N ATOM 341 CA GLU A 23 -5.956 13.227 11.380 1.00 0.00 C ATOM 342 C GLU A 23 -4.926 13.144 10.256 1.00 0.00 C ATOM 343 O GLU A 23 -4.014 13.970 10.183 1.00 0.00 O ATOM 344 CB GLU A 23 -5.483 12.381 12.565 1.00 0.00 C ATOM 345 CG GLU A 23 -6.346 12.528 13.808 1.00 0.00 C ATOM 346 CD GLU A 23 -6.456 13.963 14.283 1.00 0.00 C ATOM 347 OE1 GLU A 23 -5.472 14.724 14.151 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.531 14.342 14.788 1.00 0.00 O ATOM 0 H GLU A 23 -7.410 11.804 10.847 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.038 14.273 11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.467 11.333 12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.458 12.658 12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.344 12.142 13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.929 11.917 14.608 1.00 0.00 H new ATOM 355 N ASP A 24 -5.076 12.170 9.376 1.00 0.00 N ATOM 356 CA ASP A 24 -4.048 11.894 8.375 1.00 0.00 C ATOM 357 C ASP A 24 -4.430 12.494 7.026 1.00 0.00 C ATOM 358 O ASP A 24 -5.205 13.454 6.966 1.00 0.00 O ATOM 359 CB ASP A 24 -3.824 10.385 8.246 1.00 0.00 C ATOM 360 CG ASP A 24 -3.285 9.758 9.519 1.00 0.00 C ATOM 361 OD1 ASP A 24 -2.071 9.890 9.786 1.00 0.00 O ATOM 362 OD2 ASP A 24 -4.064 9.110 10.250 1.00 0.00 O ATOM 0 H ASP A 24 -5.891 11.558 9.330 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.118 12.359 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.765 9.904 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.127 10.194 7.430 1.00 0.00 H new ATOM 367 N LYS A 25 -3.876 11.958 5.944 1.00 0.00 N ATOM 368 CA LYS A 25 -4.202 12.453 4.620 1.00 0.00 C ATOM 369 C LYS A 25 -4.811 11.355 3.743 1.00 0.00 C ATOM 370 O LYS A 25 -6.026 11.158 3.743 1.00 0.00 O ATOM 371 CB LYS A 25 -2.969 13.059 3.942 1.00 0.00 C ATOM 372 CG LYS A 25 -3.306 13.852 2.692 1.00 0.00 C ATOM 373 CD LYS A 25 -3.926 15.190 3.048 1.00 0.00 C ATOM 374 CE LYS A 25 -4.526 15.872 1.831 1.00 0.00 C ATOM 375 NZ LYS A 25 -5.843 15.293 1.463 1.00 0.00 N ATOM 0 H LYS A 25 -3.206 11.189 5.961 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.950 13.237 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.455 13.709 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.275 12.260 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.403 14.011 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.996 13.282 2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.700 15.044 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.168 15.836 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.641 16.937 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.841 15.779 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.218 15.786 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.729 14.282 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.505 15.404 2.257 1.00 0.00 H new ATOM 389 N LEU A 26 -3.969 10.632 3.014 1.00 0.00 N ATOM 390 CA LEU A 26 -4.443 9.675 2.016 1.00 0.00 C ATOM 391 C LEU A 26 -4.324 8.239 2.511 1.00 0.00 C ATOM 392 O LEU A 26 -3.588 7.953 3.456 1.00 0.00 O ATOM 393 CB LEU A 26 -3.653 9.840 0.716 1.00 0.00 C ATOM 394 CG LEU A 26 -3.884 11.153 -0.034 1.00 0.00 C ATOM 395 CD1 LEU A 26 -2.901 11.291 -1.185 1.00 0.00 C ATOM 396 CD2 LEU A 26 -5.310 11.226 -0.551 1.00 0.00 C ATOM 0 H LEU A 26 -2.954 10.689 3.094 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.498 9.882 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.591 9.754 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.904 9.013 0.051 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.722 11.977 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.081 12.231 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.882 11.281 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.034 10.460 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.457 12.167 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.494 10.393 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.004 11.170 0.287 1.00 0.00 H new ATOM 408 N LEU A 27 -5.046 7.340 1.856 1.00 0.00 N ATOM 409 CA LEU A 27 -5.040 5.929 2.219 1.00 0.00 C ATOM 410 C LEU A 27 -4.075 5.149 1.333 1.00 0.00 C ATOM 411 O LEU A 27 -4.187 5.178 0.103 1.00 0.00 O ATOM 412 CB LEU A 27 -6.446 5.320 2.083 1.00 0.00 C ATOM 413 CG LEU A 27 -7.492 5.747 3.126 1.00 0.00 C ATOM 414 CD1 LEU A 27 -6.981 5.503 4.535 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.906 7.200 2.947 1.00 0.00 C ATOM 0 H LEU A 27 -5.648 7.565 1.064 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.717 5.860 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.830 5.571 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.351 4.235 2.122 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.378 5.132 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.738 5.813 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.768 4.442 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.070 6.079 4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.646 7.463 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.033 7.843 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.336 7.336 1.955 1.00 0.00 H new ATOM 427 N PHE A 28 -3.128 4.462 1.955 1.00 0.00 N ATOM 428 CA PHE A 28 -2.219 3.585 1.234 1.00 0.00 C ATOM 429 C PHE A 28 -2.482 2.147 1.648 1.00 0.00 C ATOM 430 O PHE A 28 -2.148 1.740 2.762 1.00 0.00 O ATOM 431 CB PHE A 28 -0.757 3.962 1.503 1.00 0.00 C ATOM 432 CG PHE A 28 0.237 3.057 0.831 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.453 3.136 -0.536 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.951 2.123 1.564 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.364 2.304 -1.157 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.863 1.288 0.948 1.00 0.00 C ATOM 437 CZ PHE A 28 2.070 1.378 -0.414 1.00 0.00 C ATOM 0 H PHE A 28 -2.969 4.496 2.962 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.395 3.696 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.588 4.985 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.580 3.946 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.098 3.857 -1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.793 2.047 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.524 2.377 -2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.414 0.565 1.532 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.782 0.726 -0.897 1.00 0.00 H new ATOM 447 N VAL A 29 -3.101 1.389 0.761 1.00 0.00 N ATOM 448 CA VAL A 29 -3.472 0.017 1.061 1.00 0.00 C ATOM 449 C VAL A 29 -2.478 -0.951 0.439 1.00 0.00 C ATOM 450 O VAL A 29 -2.384 -1.063 -0.786 1.00 0.00 O ATOM 451 CB VAL A 29 -4.892 -0.314 0.553 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.333 -1.687 1.039 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.882 0.752 0.993 1.00 0.00 C ATOM 0 H VAL A 29 -3.358 1.701 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.460 -0.090 2.146 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.867 -0.330 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.336 -1.899 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.642 -2.444 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.337 -1.703 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.876 0.499 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.901 0.804 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.580 1.718 0.589 1.00 0.00 H new ATOM 463 N ASP A 30 -1.723 -1.625 1.288 1.00 0.00 N ATOM 464 CA ASP A 30 -0.756 -2.616 0.841 1.00 0.00 C ATOM 465 C ASP A 30 -1.375 -4.006 0.855 1.00 0.00 C ATOM 466 O ASP A 30 -1.518 -4.624 1.912 1.00 0.00 O ATOM 467 CB ASP A 30 0.489 -2.580 1.730 1.00 0.00 C ATOM 468 CG ASP A 30 1.465 -3.698 1.420 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.055 -3.692 0.319 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.647 -4.585 2.284 1.00 0.00 O ATOM 0 H ASP A 30 -1.761 -1.504 2.300 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.462 -2.378 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.991 -1.621 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.186 -2.648 2.775 1.00 0.00 H new ATOM 475 N CYS A 31 -1.780 -4.475 -0.313 1.00 0.00 N ATOM 476 CA CYS A 31 -2.351 -5.805 -0.443 1.00 0.00 C ATOM 477 C CYS A 31 -1.363 -6.744 -1.118 1.00 0.00 C ATOM 478 O CYS A 31 -1.039 -6.581 -2.292 1.00 0.00 O ATOM 479 CB CYS A 31 -3.654 -5.758 -1.248 1.00 0.00 C ATOM 480 SG CYS A 31 -4.980 -4.811 -0.462 1.00 0.00 S ATOM 0 H CYS A 31 -1.724 -3.953 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.570 -6.179 0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.447 -5.327 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.001 -6.778 -1.415 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.035 -4.830 -1.221 1.00 0.00 H new ATOM 486 N PHE A 32 -0.887 -7.725 -0.375 1.00 0.00 N ATOM 487 CA PHE A 32 0.070 -8.685 -0.901 1.00 0.00 C ATOM 488 C PHE A 32 -0.448 -10.101 -0.705 1.00 0.00 C ATOM 489 O PHE A 32 -1.309 -10.342 0.145 1.00 0.00 O ATOM 490 CB PHE A 32 1.431 -8.519 -0.211 1.00 0.00 C ATOM 491 CG PHE A 32 1.396 -8.740 1.278 1.00 0.00 C ATOM 492 CD1 PHE A 32 1.016 -7.719 2.136 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.741 -9.968 1.818 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.981 -7.921 3.502 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.708 -10.175 3.182 1.00 0.00 C ATOM 496 CZ PHE A 32 1.329 -9.149 4.025 1.00 0.00 C ATOM 0 H PHE A 32 -1.148 -7.880 0.599 1.00 0.00 H new ATOM 0 HA PHE A 32 0.197 -8.500 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.139 -9.219 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.807 -7.516 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.744 -6.755 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.040 -10.773 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.682 -7.118 4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.978 -11.138 3.590 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.305 -9.308 5.093 1.00 0.00 H new ATOM 506 N THR A 33 0.068 -11.035 -1.488 1.00 0.00 N ATOM 507 CA THR A 33 -0.315 -12.425 -1.341 1.00 0.00 C ATOM 508 C THR A 33 0.726 -13.200 -0.543 1.00 0.00 C ATOM 509 O THR A 33 1.891 -12.798 -0.443 1.00 0.00 O ATOM 510 CB THR A 33 -0.519 -13.111 -2.707 1.00 0.00 C ATOM 511 OG1 THR A 33 0.648 -12.956 -3.524 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.728 -12.542 -3.430 1.00 0.00 C ATOM 0 H THR A 33 0.748 -10.855 -2.226 1.00 0.00 H new ATOM 0 HA THR A 33 -1.263 -12.431 -0.802 1.00 0.00 H new ATOM 0 HB THR A 33 -0.692 -14.172 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.504 -13.398 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.848 -13.044 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.621 -12.699 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.584 -11.474 -3.595 1.00 0.00 H new ATOM 520 N THR A 34 0.289 -14.308 0.028 1.00 0.00 N ATOM 521 CA THR A 34 1.145 -15.172 0.825 1.00 0.00 C ATOM 522 C THR A 34 1.794 -16.237 -0.054 1.00 0.00 C ATOM 523 O THR A 34 2.321 -17.235 0.439 1.00 0.00 O ATOM 524 CB THR A 34 0.324 -15.851 1.936 1.00 0.00 C ATOM 525 OG1 THR A 34 -0.811 -16.521 1.366 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.151 -14.824 2.950 1.00 0.00 C ATOM 0 H THR A 34 -0.674 -14.636 -0.048 1.00 0.00 H new ATOM 0 HA THR A 34 1.926 -14.561 1.276 1.00 0.00 H new ATOM 0 HB THR A 34 0.961 -16.578 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.630 -16.039 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.730 -15.322 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.711 -14.330 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.775 -14.082 2.452 1.00 0.00 H new ATOM 534 N TRP A 35 1.756 -15.987 -1.360 1.00 0.00 N ATOM 535 CA TRP A 35 2.168 -16.942 -2.371 1.00 0.00 C ATOM 536 C TRP A 35 3.596 -17.434 -2.154 1.00 0.00 C ATOM 537 O TRP A 35 3.821 -18.603 -1.827 1.00 0.00 O ATOM 538 CB TRP A 35 2.050 -16.270 -3.733 1.00 0.00 C ATOM 539 CG TRP A 35 1.971 -17.226 -4.869 1.00 0.00 C ATOM 540 CD1 TRP A 35 2.969 -17.566 -5.722 1.00 0.00 C ATOM 541 CD2 TRP A 35 0.822 -17.962 -5.269 1.00 0.00 C ATOM 542 NE1 TRP A 35 2.503 -18.467 -6.651 1.00 0.00 N ATOM 543 CE2 TRP A 35 1.184 -18.726 -6.391 1.00 0.00 C ATOM 544 CE3 TRP A 35 -0.482 -18.041 -4.787 1.00 0.00 C ATOM 545 CZ2 TRP A 35 0.281 -19.558 -7.042 1.00 0.00 C ATOM 546 CZ3 TRP A 35 -1.379 -18.870 -5.429 1.00 0.00 C ATOM 547 CH2 TRP A 35 -0.994 -19.620 -6.547 1.00 0.00 C ATOM 0 H TRP A 35 1.432 -15.100 -1.746 1.00 0.00 H new ATOM 0 HA TRP A 35 1.521 -17.817 -2.309 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.162 -15.638 -3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.909 -15.615 -3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.979 -17.186 -5.678 1.00 0.00 H new ATOM 0 HE1 TRP A 35 3.050 -18.875 -7.409 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.786 -17.464 -3.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.574 -20.135 -7.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.393 -18.941 -5.064 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.718 -20.261 -7.029 1.00 0.00 H new ATOM 558 N CYS A 36 4.557 -16.546 -2.347 1.00 0.00 N ATOM 559 CA CYS A 36 5.955 -16.899 -2.191 1.00 0.00 C ATOM 560 C CYS A 36 6.621 -16.013 -1.140 1.00 0.00 C ATOM 561 O CYS A 36 6.900 -16.456 -0.026 1.00 0.00 O ATOM 562 CB CYS A 36 6.679 -16.796 -3.539 1.00 0.00 C ATOM 563 SG CYS A 36 6.347 -15.264 -4.448 1.00 0.00 S ATOM 0 H CYS A 36 4.393 -15.575 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 36 6.020 -17.931 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.752 -16.879 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.389 -17.643 -4.160 1.00 0.00 H new ATOM 0 HG CYS A 36 7.005 -15.273 -5.569 1.00 0.00 H new ATOM 569 N GLY A 37 6.864 -14.761 -1.495 1.00 0.00 N ATOM 570 CA GLY A 37 7.391 -13.808 -0.537 1.00 0.00 C ATOM 571 C GLY A 37 7.800 -12.476 -1.152 1.00 0.00 C ATOM 572 O GLY A 37 8.902 -11.997 -0.886 1.00 0.00 O ATOM 0 H GLY A 37 6.706 -14.386 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.639 -13.627 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.255 -14.248 -0.040 1.00 0.00 H new ATOM 576 N PRO A 38 6.939 -11.829 -1.969 1.00 0.00 N ATOM 577 CA PRO A 38 7.243 -10.509 -2.535 1.00 0.00 C ATOM 578 C PRO A 38 7.351 -9.438 -1.451 1.00 0.00 C ATOM 579 O PRO A 38 8.157 -8.514 -1.559 1.00 0.00 O ATOM 580 CB PRO A 38 6.055 -10.217 -3.461 1.00 0.00 C ATOM 581 CG PRO A 38 5.395 -11.533 -3.673 1.00 0.00 C ATOM 582 CD PRO A 38 5.622 -12.312 -2.415 1.00 0.00 C ATOM 0 HA PRO A 38 8.202 -10.501 -3.053 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.369 -9.501 -3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.388 -9.786 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.330 -11.409 -3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.820 -12.049 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.847 -12.118 -1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.626 -13.386 -2.599 1.00 0.00 H new ATOM 590 N CYS A 39 6.543 -9.572 -0.403 1.00 0.00 N ATOM 591 CA CYS A 39 6.594 -8.646 0.718 1.00 0.00 C ATOM 592 C CYS A 39 7.933 -8.775 1.437 1.00 0.00 C ATOM 593 O CYS A 39 8.467 -7.801 1.969 1.00 0.00 O ATOM 594 CB CYS A 39 5.440 -8.917 1.688 1.00 0.00 C ATOM 595 SG CYS A 39 5.315 -7.731 3.047 1.00 0.00 S ATOM 0 H CYS A 39 5.847 -10.312 -0.309 1.00 0.00 H new ATOM 0 HA CYS A 39 6.493 -7.629 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.504 -8.912 1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.558 -9.917 2.104 1.00 0.00 H new ATOM 0 HG CYS A 39 4.309 -8.047 3.807 1.00 0.00 H new ATOM 601 N LYS A 40 8.485 -9.984 1.433 1.00 0.00 N ATOM 602 CA LYS A 40 9.772 -10.233 2.063 1.00 0.00 C ATOM 603 C LYS A 40 10.892 -9.620 1.226 1.00 0.00 C ATOM 604 O LYS A 40 11.909 -9.182 1.759 1.00 0.00 O ATOM 605 CB LYS A 40 9.997 -11.733 2.251 1.00 0.00 C ATOM 606 CG LYS A 40 11.135 -12.064 3.202 1.00 0.00 C ATOM 607 CD LYS A 40 10.888 -11.490 4.593 1.00 0.00 C ATOM 608 CE LYS A 40 9.624 -12.060 5.225 1.00 0.00 C ATOM 609 NZ LYS A 40 9.289 -11.386 6.507 1.00 0.00 N ATOM 0 H LYS A 40 8.060 -10.804 1.000 1.00 0.00 H new ATOM 0 HA LYS A 40 9.777 -9.764 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.079 -12.185 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.202 -12.185 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.251 -13.146 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.069 -11.667 2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.744 -11.707 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.805 -10.405 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.791 -11.952 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.756 -13.128 5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.423 -11.804 6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.072 -11.510 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.137 -10.371 6.336 1.00 0.00 H new ATOM 623 N ARG A 41 10.687 -9.580 -0.085 1.00 0.00 N ATOM 624 CA ARG A 41 11.611 -8.903 -0.985 1.00 0.00 C ATOM 625 C ARG A 41 11.691 -7.423 -0.639 1.00 0.00 C ATOM 626 O ARG A 41 12.777 -6.866 -0.485 1.00 0.00 O ATOM 627 CB ARG A 41 11.159 -9.058 -2.435 1.00 0.00 C ATOM 628 CG ARG A 41 11.248 -10.474 -2.965 1.00 0.00 C ATOM 629 CD ARG A 41 12.687 -10.958 -3.016 1.00 0.00 C ATOM 630 NE ARG A 41 12.810 -12.215 -3.746 1.00 0.00 N ATOM 631 CZ ARG A 41 13.971 -12.758 -4.104 1.00 0.00 C ATOM 632 NH1 ARG A 41 15.116 -12.152 -3.804 1.00 0.00 N ATOM 633 NH2 ARG A 41 13.987 -13.906 -4.767 1.00 0.00 N ATOM 0 H ARG A 41 9.887 -10.010 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 41 12.595 -9.358 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.128 -8.714 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.766 -8.407 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.661 -11.139 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.812 -10.518 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.309 -10.199 -3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.063 -11.089 -2.001 1.00 0.00 H new ATOM 0 HE ARG A 41 11.953 -12.708 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.107 -11.267 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.003 -12.572 -4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.110 -14.372 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.876 -14.324 -5.042 1.00 0.00 H new ATOM 647 N LEU A 42 10.524 -6.800 -0.494 1.00 0.00 N ATOM 648 CA LEU A 42 10.437 -5.381 -0.162 1.00 0.00 C ATOM 649 C LEU A 42 10.975 -5.120 1.242 1.00 0.00 C ATOM 650 O LEU A 42 11.357 -4.002 1.576 1.00 0.00 O ATOM 651 CB LEU A 42 8.984 -4.901 -0.257 1.00 0.00 C ATOM 652 CG LEU A 42 8.305 -5.114 -1.614 1.00 0.00 C ATOM 653 CD1 LEU A 42 6.844 -4.701 -1.544 1.00 0.00 C ATOM 654 CD2 LEU A 42 9.024 -4.335 -2.707 1.00 0.00 C ATOM 0 H LEU A 42 9.620 -7.260 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 42 11.045 -4.827 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.400 -5.415 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.955 -3.838 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 42 8.358 -6.175 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.375 -4.858 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.332 -5.301 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.776 -3.647 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.524 -4.502 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.005 -3.272 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.058 -4.673 -2.775 1.00 0.00 H new ATOM 666 N SER A 43 11.005 -6.166 2.058 1.00 0.00 N ATOM 667 CA SER A 43 11.496 -6.065 3.423 1.00 0.00 C ATOM 668 C SER A 43 12.988 -5.737 3.450 1.00 0.00 C ATOM 669 O SER A 43 13.468 -5.131 4.403 1.00 0.00 O ATOM 670 CB SER A 43 11.222 -7.361 4.193 1.00 0.00 C ATOM 671 OG SER A 43 11.651 -7.261 5.544 1.00 0.00 O ATOM 0 H SER A 43 10.692 -7.100 1.794 1.00 0.00 H new ATOM 0 HA SER A 43 10.961 -5.250 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.156 -7.585 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.735 -8.191 3.707 1.00 0.00 H new ATOM 0 HG SER A 43 11.462 -8.102 6.010 1.00 0.00 H new ATOM 677 N LYS A 44 13.712 -6.160 2.416 1.00 0.00 N ATOM 678 CA LYS A 44 15.160 -5.963 2.355 1.00 0.00 C ATOM 679 C LYS A 44 15.539 -4.482 2.430 1.00 0.00 C ATOM 680 O LYS A 44 16.157 -4.047 3.401 1.00 0.00 O ATOM 681 CB LYS A 44 15.728 -6.594 1.077 1.00 0.00 C ATOM 682 CG LYS A 44 17.220 -6.356 0.870 1.00 0.00 C ATOM 683 CD LYS A 44 18.045 -6.855 2.046 1.00 0.00 C ATOM 684 CE LYS A 44 19.531 -6.613 1.830 1.00 0.00 C ATOM 685 NZ LYS A 44 19.846 -5.171 1.635 1.00 0.00 N ATOM 0 H LYS A 44 13.320 -6.642 1.607 1.00 0.00 H new ATOM 0 HA LYS A 44 15.596 -6.457 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.543 -7.668 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.186 -6.198 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.545 -6.860 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.401 -5.291 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.722 -6.351 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.866 -7.921 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.087 -6.991 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.866 -7.177 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.871 -5.024 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.539 -4.874 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.348 -4.607 2.353 1.00 0.00 H new ATOM 699 N VAL A 45 15.176 -3.716 1.409 1.00 0.00 N ATOM 700 CA VAL A 45 15.557 -2.312 1.341 1.00 0.00 C ATOM 701 C VAL A 45 14.360 -1.401 1.583 1.00 0.00 C ATOM 702 O VAL A 45 14.416 -0.500 2.421 1.00 0.00 O ATOM 703 CB VAL A 45 16.180 -1.960 -0.027 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.612 -0.501 -0.065 1.00 0.00 C ATOM 705 CG2 VAL A 45 17.353 -2.873 -0.338 1.00 0.00 C ATOM 0 H VAL A 45 14.620 -4.043 0.619 1.00 0.00 H new ATOM 0 HA VAL A 45 16.298 -2.153 2.124 1.00 0.00 H new ATOM 0 HB VAL A 45 15.419 -2.111 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 45 17.048 -0.276 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.746 0.139 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 45 17.352 -0.320 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.775 -2.606 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 45 18.115 -2.762 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 45 17.012 -3.908 -0.364 1.00 0.00 H new ATOM 715 N VAL A 46 13.275 -1.660 0.859 1.00 0.00 N ATOM 716 CA VAL A 46 12.107 -0.779 0.867 1.00 0.00 C ATOM 717 C VAL A 46 11.585 -0.554 2.284 1.00 0.00 C ATOM 718 O VAL A 46 11.404 0.583 2.717 1.00 0.00 O ATOM 719 CB VAL A 46 10.970 -1.346 -0.012 1.00 0.00 C ATOM 720 CG1 VAL A 46 9.823 -0.355 -0.126 1.00 0.00 C ATOM 721 CG2 VAL A 46 11.489 -1.719 -1.390 1.00 0.00 C ATOM 0 H VAL A 46 13.179 -2.477 0.256 1.00 0.00 H new ATOM 0 HA VAL A 46 12.432 0.177 0.456 1.00 0.00 H new ATOM 0 HB VAL A 46 10.593 -2.248 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.036 -0.779 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.425 -0.144 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.184 0.570 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.671 -2.116 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.900 -0.834 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.268 -2.475 -1.293 1.00 0.00 H new ATOM 731 N PHE A 47 11.377 -1.638 3.017 1.00 0.00 N ATOM 732 CA PHE A 47 10.808 -1.554 4.358 1.00 0.00 C ATOM 733 C PHE A 47 11.880 -1.293 5.412 1.00 0.00 C ATOM 734 O PHE A 47 11.644 -1.509 6.598 1.00 0.00 O ATOM 735 CB PHE A 47 10.058 -2.844 4.710 1.00 0.00 C ATOM 736 CG PHE A 47 8.871 -3.142 3.833 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.317 -2.164 3.023 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.305 -4.408 3.827 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.226 -2.441 2.224 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.214 -4.691 3.029 1.00 0.00 C ATOM 741 CZ PHE A 47 6.672 -3.707 2.226 1.00 0.00 C ATOM 0 H PHE A 47 11.593 -2.586 2.708 1.00 0.00 H new ATOM 0 HA PHE A 47 10.112 -0.715 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.755 -3.680 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.721 -2.781 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.744 -1.172 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.722 -5.182 4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.805 -1.668 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.785 -5.682 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.818 -3.926 1.602 1.00 0.00 H new ATOM 751 N LYS A 48 13.053 -0.830 4.990 1.00 0.00 N ATOM 752 CA LYS A 48 14.130 -0.534 5.931 1.00 0.00 C ATOM 753 C LYS A 48 14.726 0.849 5.688 1.00 0.00 C ATOM 754 O LYS A 48 15.642 1.270 6.396 1.00 0.00 O ATOM 755 CB LYS A 48 15.235 -1.590 5.838 1.00 0.00 C ATOM 756 CG LYS A 48 14.809 -2.976 6.296 1.00 0.00 C ATOM 757 CD LYS A 48 14.389 -2.989 7.761 1.00 0.00 C ATOM 758 CE LYS A 48 15.545 -2.655 8.695 1.00 0.00 C ATOM 759 NZ LYS A 48 16.690 -3.586 8.520 1.00 0.00 N ATOM 0 H LYS A 48 13.282 -0.653 4.012 1.00 0.00 H new ATOM 0 HA LYS A 48 13.696 -0.551 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.579 -1.650 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.084 -1.266 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.981 -3.323 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.632 -3.675 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.583 -2.271 7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.992 -3.972 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.877 -1.633 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.200 -2.696 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.348 -3.481 9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.340 -4.565 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.185 -3.365 7.632 1.00 0.00 H new ATOM 773 N ASP A 49 14.211 1.554 4.691 1.00 0.00 N ATOM 774 CA ASP A 49 14.717 2.883 4.361 1.00 0.00 C ATOM 775 C ASP A 49 14.019 3.941 5.208 1.00 0.00 C ATOM 776 O ASP A 49 12.793 4.043 5.187 1.00 0.00 O ATOM 777 CB ASP A 49 14.510 3.185 2.876 1.00 0.00 C ATOM 778 CG ASP A 49 15.264 4.422 2.428 1.00 0.00 C ATOM 779 OD1 ASP A 49 14.827 5.548 2.745 1.00 0.00 O ATOM 780 OD2 ASP A 49 16.305 4.275 1.760 1.00 0.00 O ATOM 0 H ASP A 49 13.446 1.232 4.098 1.00 0.00 H new ATOM 0 HA ASP A 49 15.785 2.904 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.837 2.329 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.446 3.320 2.680 1.00 0.00 H new ATOM 785 N SER A 50 14.797 4.709 5.959 1.00 0.00 N ATOM 786 CA SER A 50 14.247 5.728 6.848 1.00 0.00 C ATOM 787 C SER A 50 13.652 6.905 6.072 1.00 0.00 C ATOM 788 O SER A 50 12.571 7.398 6.409 1.00 0.00 O ATOM 789 CB SER A 50 15.337 6.231 7.794 1.00 0.00 C ATOM 790 OG SER A 50 15.966 5.151 8.465 1.00 0.00 O ATOM 0 H SER A 50 15.815 4.646 5.971 1.00 0.00 H new ATOM 0 HA SER A 50 13.441 5.268 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.080 6.796 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.903 6.914 8.524 1.00 0.00 H new ATOM 0 HG SER A 50 16.661 5.498 9.063 1.00 0.00 H new ATOM 796 N LEU A 51 14.354 7.347 5.035 1.00 0.00 N ATOM 797 CA LEU A 51 13.948 8.525 4.275 1.00 0.00 C ATOM 798 C LEU A 51 12.633 8.281 3.543 1.00 0.00 C ATOM 799 O LEU A 51 11.718 9.110 3.592 1.00 0.00 O ATOM 800 CB LEU A 51 15.036 8.914 3.269 1.00 0.00 C ATOM 801 CG LEU A 51 14.756 10.188 2.465 1.00 0.00 C ATOM 802 CD1 LEU A 51 14.643 11.394 3.387 1.00 0.00 C ATOM 803 CD2 LEU A 51 15.846 10.409 1.426 1.00 0.00 C ATOM 0 H LEU A 51 15.210 6.906 4.700 1.00 0.00 H new ATOM 0 HA LEU A 51 13.804 9.343 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.976 9.042 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.177 8.087 2.572 1.00 0.00 H new ATOM 0 HG LEU A 51 13.804 10.066 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.444 12.287 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.827 11.237 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.577 11.522 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.633 11.318 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.810 10.509 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.877 9.559 0.745 1.00 0.00 H new ATOM 815 N VAL A 52 12.542 7.148 2.864 1.00 0.00 N ATOM 816 CA VAL A 52 11.340 6.807 2.119 1.00 0.00 C ATOM 817 C VAL A 52 10.165 6.567 3.069 1.00 0.00 C ATOM 818 O VAL A 52 9.025 6.929 2.768 1.00 0.00 O ATOM 819 CB VAL A 52 11.561 5.567 1.219 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.302 5.224 0.440 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.724 5.800 0.265 1.00 0.00 C ATOM 0 H VAL A 52 13.284 6.450 2.813 1.00 0.00 H new ATOM 0 HA VAL A 52 11.105 7.653 1.474 1.00 0.00 H new ATOM 0 HB VAL A 52 11.801 4.723 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.487 4.349 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.491 5.009 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.024 6.068 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.865 4.918 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.509 6.662 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.632 5.988 0.838 1.00 0.00 H new ATOM 831 N ALA A 53 10.457 5.990 4.233 1.00 0.00 N ATOM 832 CA ALA A 53 9.436 5.731 5.242 1.00 0.00 C ATOM 833 C ALA A 53 8.774 7.030 5.690 1.00 0.00 C ATOM 834 O ALA A 53 7.547 7.111 5.797 1.00 0.00 O ATOM 835 CB ALA A 53 10.041 5.008 6.435 1.00 0.00 C ATOM 0 H ALA A 53 11.396 5.693 4.500 1.00 0.00 H new ATOM 0 HA ALA A 53 8.672 5.094 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.266 4.822 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.466 4.059 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.825 5.624 6.874 1.00 0.00 H new ATOM 841 N ASP A 54 9.596 8.048 5.937 1.00 0.00 N ATOM 842 CA ASP A 54 9.098 9.369 6.319 1.00 0.00 C ATOM 843 C ASP A 54 8.176 9.922 5.239 1.00 0.00 C ATOM 844 O ASP A 54 7.108 10.459 5.534 1.00 0.00 O ATOM 845 CB ASP A 54 10.267 10.335 6.553 1.00 0.00 C ATOM 846 CG ASP A 54 9.813 11.776 6.719 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.519 12.195 7.858 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.762 12.507 5.708 1.00 0.00 O ATOM 0 H ASP A 54 10.612 7.984 5.879 1.00 0.00 H new ATOM 0 HA ASP A 54 8.534 9.268 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.815 10.026 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.959 10.271 5.714 1.00 0.00 H new ATOM 853 N TYR A 55 8.588 9.755 3.987 1.00 0.00 N ATOM 854 CA TYR A 55 7.827 10.246 2.844 1.00 0.00 C ATOM 855 C TYR A 55 6.452 9.582 2.792 1.00 0.00 C ATOM 856 O TYR A 55 5.433 10.255 2.607 1.00 0.00 O ATOM 857 CB TYR A 55 8.600 9.978 1.549 1.00 0.00 C ATOM 858 CG TYR A 55 8.021 10.665 0.336 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.294 12.003 0.087 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.214 9.980 -0.561 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.775 12.643 -1.020 1.00 0.00 C ATOM 862 CE2 TYR A 55 6.690 10.612 -1.673 1.00 0.00 C ATOM 863 CZ TYR A 55 6.975 11.942 -1.899 1.00 0.00 C ATOM 864 OH TYR A 55 6.457 12.576 -3.005 1.00 0.00 O ATOM 0 H TYR A 55 9.454 9.278 3.737 1.00 0.00 H new ATOM 0 HA TYR A 55 7.683 11.321 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.632 10.303 1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.625 8.903 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.923 12.553 0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.992 8.937 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.994 13.686 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.061 10.067 -2.361 1.00 0.00 H new ATOM 0 HH TYR A 55 5.916 11.943 -3.522 1.00 0.00 H new ATOM 874 N PHE A 56 6.430 8.265 2.973 1.00 0.00 N ATOM 875 CA PHE A 56 5.180 7.513 2.975 1.00 0.00 C ATOM 876 C PHE A 56 4.304 7.893 4.163 1.00 0.00 C ATOM 877 O PHE A 56 3.114 8.142 3.999 1.00 0.00 O ATOM 878 CB PHE A 56 5.445 6.008 2.984 1.00 0.00 C ATOM 879 CG PHE A 56 5.553 5.412 1.609 1.00 0.00 C ATOM 880 CD1 PHE A 56 6.754 5.418 0.922 1.00 0.00 C ATOM 881 CD2 PHE A 56 4.442 4.845 1.003 1.00 0.00 C ATOM 882 CE1 PHE A 56 6.847 4.871 -0.345 1.00 0.00 C ATOM 883 CE2 PHE A 56 4.529 4.298 -0.262 1.00 0.00 C ATOM 884 CZ PHE A 56 5.733 4.311 -0.938 1.00 0.00 C ATOM 0 H PHE A 56 7.264 7.696 3.120 1.00 0.00 H new ATOM 0 HA PHE A 56 4.648 7.770 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.368 5.813 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.642 5.509 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.629 5.855 1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.498 4.831 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.791 4.882 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.656 3.860 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.803 3.884 -1.928 1.00 0.00 H new ATOM 894 N ASN A 57 4.901 7.947 5.354 1.00 0.00 N ATOM 895 CA ASN A 57 4.164 8.298 6.572 1.00 0.00 C ATOM 896 C ASN A 57 3.577 9.703 6.476 1.00 0.00 C ATOM 897 O ASN A 57 2.529 9.997 7.051 1.00 0.00 O ATOM 898 CB ASN A 57 5.073 8.216 7.806 1.00 0.00 C ATOM 899 CG ASN A 57 5.239 6.810 8.358 1.00 0.00 C ATOM 900 OD1 ASN A 57 5.356 6.624 9.567 1.00 0.00 O ATOM 901 ND2 ASN A 57 5.266 5.816 7.491 1.00 0.00 N ATOM 0 H ASN A 57 5.891 7.753 5.503 1.00 0.00 H new ATOM 0 HA ASN A 57 3.351 7.579 6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.055 8.613 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.666 8.857 8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.387 4.857 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.166 6.006 6.494 1.00 0.00 H new ATOM 908 N ARG A 58 4.269 10.567 5.750 1.00 0.00 N ATOM 909 CA ARG A 58 3.863 11.957 5.610 1.00 0.00 C ATOM 910 C ARG A 58 2.694 12.095 4.636 1.00 0.00 C ATOM 911 O ARG A 58 1.747 12.839 4.888 1.00 0.00 O ATOM 912 CB ARG A 58 5.053 12.790 5.124 1.00 0.00 C ATOM 913 CG ARG A 58 4.831 14.292 5.188 1.00 0.00 C ATOM 914 CD ARG A 58 6.043 15.054 4.673 1.00 0.00 C ATOM 915 NE ARG A 58 7.277 14.646 5.344 1.00 0.00 N ATOM 916 CZ ARG A 58 8.057 15.468 6.043 1.00 0.00 C ATOM 917 NH1 ARG A 58 7.739 16.753 6.170 1.00 0.00 N ATOM 918 NH2 ARG A 58 9.164 14.999 6.603 1.00 0.00 N ATOM 0 H ARG A 58 5.122 10.327 5.244 1.00 0.00 H new ATOM 0 HA ARG A 58 3.533 12.321 6.583 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.928 12.538 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.281 12.511 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.954 14.557 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.624 14.587 6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.144 14.891 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.888 16.123 4.820 1.00 0.00 H new ATOM 0 HE ARG A 58 7.558 13.668 5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.893 17.115 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.341 17.377 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.412 14.015 6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.767 15.622 7.140 1.00 0.00 H new ATOM 932 N HIS A 59 2.754 11.363 3.529 1.00 0.00 N ATOM 933 CA HIS A 59 1.758 11.502 2.467 1.00 0.00 C ATOM 934 C HIS A 59 0.523 10.639 2.711 1.00 0.00 C ATOM 935 O HIS A 59 -0.604 11.086 2.492 1.00 0.00 O ATOM 936 CB HIS A 59 2.365 11.143 1.108 1.00 0.00 C ATOM 937 CG HIS A 59 3.131 12.258 0.468 1.00 0.00 C ATOM 938 ND1 HIS A 59 2.822 12.766 -0.775 1.00 0.00 N ATOM 939 CD2 HIS A 59 4.211 12.955 0.897 1.00 0.00 C ATOM 940 CE1 HIS A 59 3.673 13.723 -1.083 1.00 0.00 C ATOM 941 NE2 HIS A 59 4.526 13.858 -0.086 1.00 0.00 N ATOM 0 H HIS A 59 3.478 10.669 3.342 1.00 0.00 H new ATOM 0 HA HIS A 59 1.445 12.546 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.027 10.286 1.233 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.565 10.833 0.435 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.727 12.824 1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.672 14.299 -1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.296 14.526 -0.052 1.00 0.00 H new ATOM 950 N PHE A 60 0.727 9.410 3.165 1.00 0.00 N ATOM 951 CA PHE A 60 -0.379 8.469 3.298 1.00 0.00 C ATOM 952 C PHE A 60 -0.352 7.797 4.663 1.00 0.00 C ATOM 953 O PHE A 60 0.571 7.999 5.452 1.00 0.00 O ATOM 954 CB PHE A 60 -0.303 7.363 2.230 1.00 0.00 C ATOM 955 CG PHE A 60 0.209 7.794 0.883 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.647 8.325 -0.067 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.551 7.651 0.564 1.00 0.00 C ATOM 958 CE1 PHE A 60 -0.175 8.709 -1.308 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.029 8.031 -0.675 1.00 0.00 C ATOM 960 CZ PHE A 60 1.164 8.561 -1.612 1.00 0.00 C ATOM 0 H PHE A 60 1.637 9.043 3.445 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.298 9.042 3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.338 6.565 2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.298 6.938 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.696 8.440 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.231 7.237 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.853 9.124 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.077 7.914 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.534 8.859 -2.582 1.00 0.00 H new ATOM 970 N VAL A 61 -1.373 7.000 4.928 1.00 0.00 N ATOM 971 CA VAL A 61 -1.342 6.077 6.046 1.00 0.00 C ATOM 972 C VAL A 61 -0.882 4.717 5.551 1.00 0.00 C ATOM 973 O VAL A 61 -1.444 4.168 4.602 1.00 0.00 O ATOM 974 CB VAL A 61 -2.709 5.936 6.750 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.083 7.230 7.434 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.799 5.526 5.777 1.00 0.00 C ATOM 0 H VAL A 61 -2.234 6.975 4.382 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.648 6.480 6.783 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.615 5.149 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.049 7.116 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.325 7.481 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.145 8.028 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.746 5.437 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.891 6.280 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.543 4.566 5.327 1.00 0.00 H new ATOM 986 N ASN A 62 0.157 4.192 6.167 1.00 0.00 N ATOM 987 CA ASN A 62 0.716 2.923 5.741 1.00 0.00 C ATOM 988 C ASN A 62 -0.029 1.771 6.385 1.00 0.00 C ATOM 989 O ASN A 62 0.206 1.429 7.545 1.00 0.00 O ATOM 990 CB ASN A 62 2.208 2.862 6.061 1.00 0.00 C ATOM 991 CG ASN A 62 3.010 3.779 5.160 1.00 0.00 C ATOM 992 OD1 ASN A 62 3.502 3.365 4.114 1.00 0.00 O ATOM 993 ND2 ASN A 62 3.130 5.040 5.549 1.00 0.00 N ATOM 0 H ASN A 62 0.631 4.621 6.962 1.00 0.00 H new ATOM 0 HA ASN A 62 0.600 2.836 4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.369 3.142 7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.563 1.838 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.646 5.705 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.707 5.346 6.425 1.00 0.00 H new ATOM 1000 N LEU A 63 -0.948 1.197 5.629 1.00 0.00 N ATOM 1001 CA LEU A 63 -1.776 0.112 6.116 1.00 0.00 C ATOM 1002 C LEU A 63 -1.518 -1.156 5.319 1.00 0.00 C ATOM 1003 O LEU A 63 -1.619 -1.157 4.090 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.253 0.502 6.008 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.252 -0.617 6.306 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -4.201 -1.013 7.770 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -5.653 -0.188 5.916 1.00 0.00 C ATOM 0 H LEU A 63 -1.140 1.469 4.665 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.526 -0.078 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.444 1.328 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.440 0.874 5.001 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.978 -1.489 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.920 -1.810 7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.199 -1.363 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.447 -0.150 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.354 -0.994 6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.933 0.700 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.681 0.039 4.850 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.188 -2.230 6.015 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.032 -3.520 5.372 1.00 0.00 C ATOM 1021 C LYS A 64 -2.344 -4.284 5.474 1.00 0.00 C ATOM 1022 O LYS A 64 -2.950 -4.352 6.545 1.00 0.00 O ATOM 1023 CB LYS A 64 0.106 -4.323 6.010 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.070 -4.554 7.502 1.00 0.00 C ATOM 1025 CD LYS A 64 0.150 -6.012 7.878 1.00 0.00 C ATOM 1026 CE LYS A 64 -0.823 -6.939 7.151 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.808 -8.315 7.714 1.00 0.00 N ATOM 0 H LYS A 64 -1.024 -2.233 7.022 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.775 -3.366 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.183 -5.288 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.047 -3.800 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.632 -3.927 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.073 -4.249 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.174 -6.299 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.030 -6.132 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.831 -6.531 7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.565 -6.978 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.518 -8.898 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.134 -8.734 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.030 -8.277 8.729 1.00 0.00 H new ATOM 1041 N MET A 65 -2.794 -4.839 4.368 1.00 0.00 N ATOM 1042 CA MET A 65 -4.050 -5.563 4.351 1.00 0.00 C ATOM 1043 C MET A 65 -3.886 -6.891 3.634 1.00 0.00 C ATOM 1044 O MET A 65 -3.579 -6.931 2.443 1.00 0.00 O ATOM 1045 CB MET A 65 -5.138 -4.725 3.669 1.00 0.00 C ATOM 1046 CG MET A 65 -6.503 -5.396 3.662 1.00 0.00 C ATOM 1047 SD MET A 65 -7.124 -5.708 5.326 1.00 0.00 S ATOM 1048 CE MET A 65 -8.636 -6.590 4.956 1.00 0.00 C ATOM 0 H MET A 65 -2.311 -4.803 3.470 1.00 0.00 H new ATOM 0 HA MET A 65 -4.351 -5.758 5.380 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.217 -3.763 4.176 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.837 -4.520 2.642 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.212 -4.766 3.125 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.439 -6.339 3.118 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.140 -6.855 5.886 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.290 -5.956 4.357 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.401 -7.497 4.400 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.068 -7.981 4.365 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.005 -9.296 3.758 1.00 0.00 C ATOM 1060 C ASP A 66 -5.212 -9.515 2.870 1.00 0.00 C ATOM 1061 O ASP A 66 -6.332 -9.137 3.214 1.00 0.00 O ATOM 1062 CB ASP A 66 -3.939 -10.403 4.798 1.00 0.00 C ATOM 1063 CG ASP A 66 -2.582 -10.519 5.468 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -1.642 -11.037 4.830 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.457 -10.118 6.646 1.00 0.00 O ATOM 0 H ASP A 66 -4.258 -7.979 5.367 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.091 -9.335 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.698 -10.222 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.184 -11.353 4.323 1.00 0.00 H new ATOM 1070 N MET A 67 -4.982 -10.155 1.744 1.00 0.00 N ATOM 1071 CA MET A 67 -6.002 -10.299 0.726 1.00 0.00 C ATOM 1072 C MET A 67 -6.743 -11.623 0.879 1.00 0.00 C ATOM 1073 O MET A 67 -7.548 -12.007 0.030 1.00 0.00 O ATOM 1074 CB MET A 67 -5.356 -10.194 -0.645 1.00 0.00 C ATOM 1075 CG MET A 67 -6.267 -9.586 -1.699 1.00 0.00 C ATOM 1076 SD MET A 67 -5.457 -9.417 -3.298 1.00 0.00 S ATOM 1077 CE MET A 67 -5.003 -11.118 -3.608 1.00 0.00 C ATOM 0 H MET A 67 -4.089 -10.588 1.508 1.00 0.00 H new ATOM 0 HA MET A 67 -6.736 -9.501 0.839 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.451 -9.591 -0.566 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.049 -11.188 -0.971 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.155 -10.208 -1.809 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.604 -8.606 -1.361 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.568 -11.203 -4.604 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.274 -11.441 -2.865 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.890 -11.749 -3.544 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.434 -12.334 1.949 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.113 -13.583 2.260 1.00 0.00 C ATOM 1089 C GLU A 68 -7.788 -13.504 3.627 1.00 0.00 C ATOM 1090 O GLU A 68 -8.302 -14.500 4.137 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.122 -14.746 2.224 1.00 0.00 C ATOM 1092 CG GLU A 68 -4.915 -14.555 3.129 1.00 0.00 C ATOM 1093 CD GLU A 68 -3.928 -15.693 3.016 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -3.279 -15.812 1.960 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -3.810 -16.485 3.973 1.00 0.00 O ATOM 0 H GLU A 68 -5.714 -12.068 2.621 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.883 -13.754 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.640 -15.661 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.777 -14.885 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.418 -13.619 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.249 -14.468 4.163 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.794 -12.307 4.205 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.368 -12.093 5.528 1.00 0.00 C ATOM 1104 C LYS A 69 -9.418 -10.995 5.472 1.00 0.00 C ATOM 1105 O LYS A 69 -9.333 -10.098 4.632 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.279 -11.697 6.527 1.00 0.00 C ATOM 1107 CG LYS A 69 -6.134 -12.690 6.623 1.00 0.00 C ATOM 1108 CD LYS A 69 -5.060 -12.187 7.572 1.00 0.00 C ATOM 1109 CE LYS A 69 -3.831 -13.077 7.557 1.00 0.00 C ATOM 1110 NZ LYS A 69 -2.711 -12.474 8.328 1.00 0.00 N ATOM 0 H LYS A 69 -7.406 -11.467 3.775 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.831 -13.025 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.879 -10.723 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.730 -11.582 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.510 -13.653 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.705 -12.853 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.777 -11.172 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.462 -12.140 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.081 -14.051 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.516 -13.246 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.905 -13.131 8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.423 -11.580 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.021 -12.289 9.303 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.405 -11.077 6.357 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.442 -10.064 6.419 1.00 0.00 C ATOM 1126 C GLY A 70 -12.181 -9.904 5.105 1.00 0.00 C ATOM 1127 O GLY A 70 -12.653 -10.884 4.521 1.00 0.00 O ATOM 0 H GLY A 70 -10.506 -11.831 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.154 -10.325 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.996 -9.110 6.699 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.280 -8.668 4.637 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.898 -8.383 3.351 1.00 0.00 C ATOM 1133 C GLU A 71 -11.840 -8.351 2.252 1.00 0.00 C ATOM 1134 O GLU A 71 -12.119 -7.966 1.118 1.00 0.00 O ATOM 1135 CB GLU A 71 -13.670 -7.055 3.381 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.832 -5.844 3.775 1.00 0.00 C ATOM 1137 CD GLU A 71 -12.634 -5.724 5.273 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -11.672 -6.318 5.800 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -13.444 -5.040 5.931 1.00 0.00 O ATOM 0 H GLU A 71 -11.939 -7.844 5.131 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.610 -9.181 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.101 -6.878 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.501 -7.148 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.858 -5.909 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.314 -4.939 3.404 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.628 -8.777 2.597 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.541 -8.817 1.636 1.00 0.00 C ATOM 1148 C GLY A 72 -9.835 -9.740 0.473 1.00 0.00 C ATOM 1149 O GLY A 72 -9.418 -9.482 -0.655 1.00 0.00 O ATOM 0 H GLY A 72 -10.379 -9.097 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.354 -7.811 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.629 -9.145 2.136 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.560 -10.818 0.746 1.00 0.00 N ATOM 1154 CA VAL A 73 -10.967 -11.739 -0.308 1.00 0.00 C ATOM 1155 C VAL A 73 -11.935 -11.040 -1.261 1.00 0.00 C ATOM 1156 O VAL A 73 -11.887 -11.234 -2.478 1.00 0.00 O ATOM 1157 CB VAL A 73 -11.601 -13.030 0.269 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.829 -12.718 1.113 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -11.945 -14.010 -0.844 1.00 0.00 C ATOM 0 H VAL A 73 -10.876 -11.075 1.681 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.075 -12.038 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.862 -13.497 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.249 -13.646 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.545 -12.072 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.574 -12.213 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.389 -14.908 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.655 -13.547 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.038 -14.277 -1.387 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.787 -10.192 -0.699 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.700 -9.390 -1.494 1.00 0.00 C ATOM 1171 C GLU A 74 -12.915 -8.399 -2.337 1.00 0.00 C ATOM 1172 O GLU A 74 -13.190 -8.229 -3.519 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.698 -8.656 -0.597 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.665 -9.584 0.114 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.501 -10.395 -0.853 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.533 -9.881 -1.331 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.122 -11.542 -1.155 1.00 0.00 O ATOM 0 H GLU A 74 -12.863 -10.044 0.307 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.262 -10.051 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.150 -8.076 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.264 -7.947 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.107 -10.259 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.323 -8.997 0.755 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.918 -7.768 -1.721 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.031 -6.838 -2.420 1.00 0.00 C ATOM 1186 C LEU A 75 -10.350 -7.533 -3.593 1.00 0.00 C ATOM 1187 O LEU A 75 -10.140 -6.932 -4.649 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.971 -6.286 -1.461 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.517 -5.593 -0.209 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.378 -5.176 0.708 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.364 -4.388 -0.590 1.00 0.00 C ATOM 0 H LEU A 75 -11.702 -7.885 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.633 -6.011 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.325 -7.106 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.347 -5.577 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.150 -6.301 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.784 -4.685 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.812 -6.058 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.720 -4.486 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.743 -3.909 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.755 -3.678 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.202 -4.713 -1.207 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.024 -8.807 -3.400 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.423 -9.628 -4.445 1.00 0.00 C ATOM 1205 C ARG A 76 -10.332 -9.671 -5.672 1.00 0.00 C ATOM 1206 O ARG A 76 -9.869 -9.559 -6.809 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.179 -11.047 -3.915 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.434 -11.951 -4.884 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.281 -13.363 -4.334 1.00 0.00 C ATOM 1210 NE ARG A 76 -7.621 -13.386 -3.025 1.00 0.00 N ATOM 1211 CZ ARG A 76 -6.592 -14.181 -2.718 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -6.074 -14.993 -3.634 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -6.079 -14.155 -1.492 1.00 0.00 N ATOM 0 H ARG A 76 -10.168 -9.298 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.469 -9.189 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.613 -10.984 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.139 -11.503 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.969 -11.986 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.449 -11.532 -5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.264 -13.825 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.706 -13.964 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.969 -12.755 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.462 -15.011 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.288 -15.598 -3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.471 -13.529 -0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.293 -14.761 -1.255 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.628 -9.826 -5.430 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.618 -9.832 -6.504 1.00 0.00 C ATOM 1229 C LYS A 77 -12.890 -8.415 -7.008 1.00 0.00 C ATOM 1230 O LYS A 77 -13.239 -8.216 -8.168 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.933 -10.472 -6.035 1.00 0.00 C ATOM 1232 CG LYS A 77 -13.943 -11.998 -6.041 1.00 0.00 C ATOM 1233 CD LYS A 77 -12.947 -12.588 -5.055 1.00 0.00 C ATOM 1234 CE LYS A 77 -13.090 -14.099 -4.951 1.00 0.00 C ATOM 1235 NZ LYS A 77 -12.871 -14.777 -6.256 1.00 0.00 N ATOM 0 H LYS A 77 -12.021 -9.950 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.208 -10.424 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.148 -10.126 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.742 -10.115 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.944 -12.353 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.713 -12.356 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.933 -12.339 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.097 -12.139 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.375 -14.480 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.085 -14.343 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.861 -15.807 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.638 -14.525 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.960 -14.474 -6.656 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.724 -7.437 -6.128 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.043 -6.052 -6.442 1.00 0.00 C ATOM 1251 C LYS A 78 -12.006 -5.414 -7.359 1.00 0.00 C ATOM 1252 O LYS A 78 -12.352 -4.784 -8.357 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.150 -5.229 -5.156 1.00 0.00 C ATOM 1254 CG LYS A 78 -14.378 -5.543 -4.322 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.401 -4.729 -3.039 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.668 -4.983 -2.242 1.00 0.00 C ATOM 1257 NZ LYS A 78 -16.880 -4.497 -2.953 1.00 0.00 N ATOM 0 H LYS A 78 -12.367 -7.580 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.999 -6.057 -6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.259 -5.401 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.160 -4.170 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.277 -5.335 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.393 -6.606 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.531 -4.980 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.327 -3.668 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.766 -6.051 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.593 -4.488 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.686 -4.485 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.710 -3.535 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.092 -5.130 -3.750 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.735 -5.568 -7.016 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.670 -4.858 -7.715 1.00 0.00 C ATOM 1273 C TYR A 79 -8.956 -5.746 -8.727 1.00 0.00 C ATOM 1274 O TYR A 79 -8.021 -5.300 -9.398 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.681 -4.273 -6.705 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.305 -3.210 -5.828 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.950 -3.546 -4.644 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.268 -1.872 -6.198 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.536 -2.579 -3.851 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.851 -0.899 -5.411 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.486 -1.255 -4.239 1.00 0.00 C ATOM 1282 OH TYR A 79 -11.064 -0.284 -3.452 1.00 0.00 O ATOM 0 H TYR A 79 -10.416 -6.175 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.126 -4.044 -8.278 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.292 -5.075 -6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.832 -3.846 -7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.994 -4.581 -4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.775 -1.588 -7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.031 -2.857 -2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.810 0.137 -5.712 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.938 0.594 -3.869 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.402 -6.995 -8.831 1.00 0.00 N ATOM 1293 CA GLY A 80 -8.878 -7.908 -9.836 1.00 0.00 C ATOM 1294 C GLY A 80 -7.373 -8.077 -9.762 1.00 0.00 C ATOM 1295 O GLY A 80 -6.640 -7.608 -10.638 1.00 0.00 O ATOM 0 H GLY A 80 -10.124 -7.395 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.353 -8.882 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.148 -7.542 -10.826 1.00 0.00 H new ATOM 1299 N VAL A 81 -6.911 -8.748 -8.716 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.485 -8.981 -8.524 1.00 0.00 C ATOM 1301 C VAL A 81 -4.903 -9.778 -9.692 1.00 0.00 C ATOM 1302 O VAL A 81 -5.523 -10.719 -10.193 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.204 -9.720 -7.195 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.842 -11.103 -7.195 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -3.704 -9.813 -6.933 1.00 0.00 C ATOM 0 H VAL A 81 -7.504 -9.142 -7.985 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.001 -8.005 -8.482 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.654 -9.143 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.630 -11.602 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.920 -11.006 -7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.433 -11.692 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.531 -10.337 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.226 -10.359 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.282 -8.810 -6.873 1.00 0.00 H new ATOM 1315 N HIS A 82 -3.723 -9.378 -10.146 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.051 -10.071 -11.240 1.00 0.00 C ATOM 1317 C HIS A 82 -1.675 -10.561 -10.799 1.00 0.00 C ATOM 1318 O HIS A 82 -1.321 -11.719 -11.013 1.00 0.00 O ATOM 1319 CB HIS A 82 -2.919 -9.165 -12.471 1.00 0.00 C ATOM 1320 CG HIS A 82 -4.220 -8.884 -13.166 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -4.450 -7.745 -13.909 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -5.364 -9.607 -13.231 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -5.676 -7.782 -14.398 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -6.251 -8.899 -14.001 1.00 0.00 N ATOM 0 H HIS A 82 -3.211 -8.578 -9.775 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.661 -10.932 -11.514 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.470 -8.220 -12.167 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.234 -9.630 -13.180 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.544 -10.564 -12.763 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.131 -7.024 -15.019 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.202 -9.190 -14.229 1.00 0.00 H new ATOM 1333 N ALA A 83 -0.909 -9.674 -10.178 1.00 0.00 N ATOM 1334 CA ALA A 83 0.419 -10.017 -9.682 1.00 0.00 C ATOM 1335 C ALA A 83 0.333 -10.526 -8.246 1.00 0.00 C ATOM 1336 O ALA A 83 -0.728 -10.963 -7.803 1.00 0.00 O ATOM 1337 CB ALA A 83 1.329 -8.801 -9.769 1.00 0.00 C ATOM 0 H ALA A 83 -1.185 -8.707 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 83 0.837 -10.812 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.320 -9.061 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.404 -8.476 -10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.916 -7.993 -9.165 1.00 0.00 H new ATOM 1343 N TYR A 84 1.445 -10.477 -7.528 1.00 0.00 N ATOM 1344 CA TYR A 84 1.466 -10.902 -6.132 1.00 0.00 C ATOM 1345 C TYR A 84 1.189 -9.715 -5.204 1.00 0.00 C ATOM 1346 O TYR A 84 0.301 -9.788 -4.352 1.00 0.00 O ATOM 1347 CB TYR A 84 2.809 -11.539 -5.766 1.00 0.00 C ATOM 1348 CG TYR A 84 3.268 -12.631 -6.707 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.590 -13.837 -6.788 1.00 0.00 C ATOM 1350 CD2 TYR A 84 4.389 -12.453 -7.508 1.00 0.00 C ATOM 1351 CE1 TYR A 84 3.012 -14.837 -7.641 1.00 0.00 C ATOM 1352 CE2 TYR A 84 4.821 -13.449 -8.362 1.00 0.00 C ATOM 1353 CZ TYR A 84 4.127 -14.639 -8.424 1.00 0.00 C ATOM 1354 OH TYR A 84 4.550 -15.634 -9.271 1.00 0.00 O ATOM 0 H TYR A 84 2.342 -10.149 -7.885 1.00 0.00 H new ATOM 0 HA TYR A 84 0.682 -11.649 -6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.570 -10.759 -5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.738 -11.952 -4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.717 -13.997 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.932 -11.520 -7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.470 -15.770 -7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.696 -13.297 -8.977 1.00 0.00 H new ATOM 0 HH TYR A 84 5.349 -15.335 -9.753 1.00 0.00 H new ATOM 1364 N PRO A 85 1.958 -8.607 -5.318 1.00 0.00 N ATOM 1365 CA PRO A 85 1.673 -7.388 -4.584 1.00 0.00 C ATOM 1366 C PRO A 85 0.747 -6.462 -5.368 1.00 0.00 C ATOM 1367 O PRO A 85 0.865 -6.337 -6.588 1.00 0.00 O ATOM 1368 CB PRO A 85 3.057 -6.740 -4.405 1.00 0.00 C ATOM 1369 CG PRO A 85 4.016 -7.569 -5.210 1.00 0.00 C ATOM 1370 CD PRO A 85 3.183 -8.442 -6.108 1.00 0.00 C ATOM 0 HA PRO A 85 1.162 -7.584 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.050 -5.706 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.345 -6.722 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.680 -6.933 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.646 -8.174 -4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.988 -7.969 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.668 -9.396 -6.314 1.00 0.00 H new ATOM 1378 N THR A 86 -0.181 -5.831 -4.676 1.00 0.00 N ATOM 1379 CA THR A 86 -1.093 -4.889 -5.298 1.00 0.00 C ATOM 1380 C THR A 86 -1.196 -3.619 -4.461 1.00 0.00 C ATOM 1381 O THR A 86 -1.740 -3.630 -3.356 1.00 0.00 O ATOM 1382 CB THR A 86 -2.496 -5.507 -5.478 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.395 -6.737 -6.209 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.427 -4.554 -6.214 1.00 0.00 C ATOM 0 H THR A 86 -0.324 -5.955 -3.674 1.00 0.00 H new ATOM 0 HA THR A 86 -0.695 -4.642 -6.282 1.00 0.00 H new ATOM 0 HB THR A 86 -2.911 -5.698 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.205 -7.471 -5.589 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.407 -5.017 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.525 -3.629 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.016 -4.332 -7.199 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.654 -2.533 -4.987 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.692 -1.253 -4.301 1.00 0.00 C ATOM 1394 C LEU A 87 -2.016 -0.560 -4.584 1.00 0.00 C ATOM 1395 O LEU A 87 -2.370 -0.319 -5.741 1.00 0.00 O ATOM 1396 CB LEU A 87 0.476 -0.354 -4.736 1.00 0.00 C ATOM 1397 CG LEU A 87 1.872 -0.793 -4.270 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.354 -2.015 -5.043 1.00 0.00 C ATOM 1399 CD2 LEU A 87 2.861 0.354 -4.409 1.00 0.00 C ATOM 0 H LEU A 87 -0.181 -2.513 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.596 -1.434 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.479 -0.297 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.291 0.654 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 87 1.805 -1.071 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.345 -2.301 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.660 -2.841 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.402 -1.778 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.846 0.028 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.916 0.663 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.531 1.195 -3.799 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.750 -0.252 -3.530 1.00 0.00 N ATOM 1412 CA LEU A 88 -4.054 0.376 -3.676 1.00 0.00 C ATOM 1413 C LEU A 88 -4.046 1.783 -3.100 1.00 0.00 C ATOM 1414 O LEU A 88 -3.518 2.020 -2.012 1.00 0.00 O ATOM 1415 CB LEU A 88 -5.142 -0.465 -3.006 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.382 -1.840 -3.635 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.498 -2.564 -2.903 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.718 -1.704 -5.112 1.00 0.00 C ATOM 0 H LEU A 88 -2.468 -0.425 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.275 0.441 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.878 -0.604 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.077 0.095 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.467 -2.425 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.659 -3.540 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.222 -2.694 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.415 -1.978 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.885 -2.693 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.620 -1.102 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.891 -1.219 -5.630 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.634 2.710 -3.839 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.653 4.109 -3.446 1.00 0.00 C ATOM 1432 C PHE A 89 -6.090 4.595 -3.315 1.00 0.00 C ATOM 1433 O PHE A 89 -6.811 4.721 -4.311 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.891 4.950 -4.474 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.515 4.419 -4.757 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.492 4.588 -3.841 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -2.252 3.737 -5.935 1.00 0.00 C ATOM 1438 CE1 PHE A 89 -0.231 4.089 -4.095 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.993 3.234 -6.193 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.018 3.411 -5.273 1.00 0.00 C ATOM 0 H PHE A 89 -5.108 2.516 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.163 4.216 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.460 4.983 -5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.812 5.975 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.682 5.116 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.041 3.598 -6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.561 4.228 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.800 2.703 -7.114 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.005 3.020 -5.473 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.506 4.833 -2.081 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.853 5.294 -1.798 1.00 0.00 C ATOM 1452 C ILE A 90 -7.820 6.752 -1.356 1.00 0.00 C ATOM 1453 O ILE A 90 -7.013 7.131 -0.503 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.523 4.434 -0.698 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.604 2.968 -1.140 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.908 4.970 -0.358 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -9.212 2.045 -0.102 1.00 0.00 C ATOM 0 H ILE A 90 -5.922 4.713 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.440 5.199 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.909 4.491 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.193 2.907 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.601 2.616 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.358 4.349 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.823 5.995 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.535 4.949 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.234 1.026 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.612 2.074 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -10.228 2.370 0.123 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.680 7.569 -1.945 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.754 8.974 -1.575 1.00 0.00 C ATOM 1471 C ASN A 91 -9.842 9.182 -0.529 1.00 0.00 C ATOM 1472 O ASN A 91 -10.541 8.237 -0.159 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.002 9.860 -2.805 1.00 0.00 C ATOM 1474 CG ASN A 91 -10.407 9.753 -3.377 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -11.093 8.748 -3.211 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -10.837 10.793 -4.076 1.00 0.00 N ATOM 0 H ASN A 91 -9.332 7.286 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.796 9.267 -1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.810 10.898 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.285 9.594 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.766 10.776 -4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.239 11.611 -4.193 1.00 0.00 H new ATOM 1483 N SER A 92 -9.987 10.415 -0.064 1.00 0.00 N ATOM 1484 CA SER A 92 -10.955 10.744 0.977 1.00 0.00 C ATOM 1485 C SER A 92 -12.379 10.419 0.529 1.00 0.00 C ATOM 1486 O SER A 92 -13.239 10.088 1.343 1.00 0.00 O ATOM 1487 CB SER A 92 -10.857 12.229 1.316 1.00 0.00 C ATOM 1488 OG SER A 92 -9.507 12.664 1.315 1.00 0.00 O ATOM 0 H SER A 92 -9.442 11.212 -0.394 1.00 0.00 H new ATOM 0 HA SER A 92 -10.726 10.144 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.430 12.809 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.301 12.412 2.295 1.00 0.00 H new ATOM 0 HG SER A 92 -9.471 13.619 1.533 1.00 0.00 H new ATOM 1494 N SER A 93 -12.617 10.509 -0.772 1.00 0.00 N ATOM 1495 CA SER A 93 -13.948 10.308 -1.320 1.00 0.00 C ATOM 1496 C SER A 93 -14.266 8.818 -1.489 1.00 0.00 C ATOM 1497 O SER A 93 -15.417 8.441 -1.723 1.00 0.00 O ATOM 1498 CB SER A 93 -14.068 11.041 -2.658 1.00 0.00 C ATOM 1499 OG SER A 93 -15.407 11.067 -3.122 1.00 0.00 O ATOM 0 H SER A 93 -11.902 10.721 -1.468 1.00 0.00 H new ATOM 0 HA SER A 93 -14.675 10.717 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.701 12.061 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.435 10.552 -3.399 1.00 0.00 H new ATOM 0 HG SER A 93 -15.413 11.077 -4.102 1.00 0.00 H new ATOM 1505 N GLY A 94 -13.251 7.973 -1.362 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.455 6.543 -1.499 1.00 0.00 C ATOM 1507 C GLY A 94 -13.582 6.116 -2.948 1.00 0.00 C ATOM 1508 O GLY A 94 -14.200 5.097 -3.255 1.00 0.00 O ATOM 0 H GLY A 94 -12.290 8.252 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.621 6.014 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.355 6.253 -0.957 1.00 0.00 H new ATOM 1512 N GLU A 95 -13.000 6.902 -3.839 1.00 0.00 N ATOM 1513 CA GLU A 95 -13.015 6.599 -5.261 1.00 0.00 C ATOM 1514 C GLU A 95 -11.693 5.969 -5.673 1.00 0.00 C ATOM 1515 O GLU A 95 -10.653 6.231 -5.064 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.277 7.870 -6.072 1.00 0.00 C ATOM 1517 CG GLU A 95 -14.672 8.437 -5.869 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.843 9.808 -6.485 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -14.988 9.904 -7.721 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -14.836 10.803 -5.733 1.00 0.00 O ATOM 0 H GLU A 95 -12.507 7.762 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.818 5.890 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.542 8.626 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.131 7.654 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.403 7.755 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.884 8.494 -4.801 1.00 0.00 H new ATOM 1527 N VAL A 96 -11.734 5.126 -6.690 1.00 0.00 N ATOM 1528 CA VAL A 96 -10.537 4.441 -7.147 1.00 0.00 C ATOM 1529 C VAL A 96 -9.682 5.381 -7.988 1.00 0.00 C ATOM 1530 O VAL A 96 -9.980 5.634 -9.155 1.00 0.00 O ATOM 1531 CB VAL A 96 -10.875 3.175 -7.964 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -9.610 2.422 -8.349 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -11.817 2.273 -7.183 1.00 0.00 C ATOM 0 H VAL A 96 -12.580 4.900 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.981 4.131 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.375 3.487 -8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.875 1.535 -8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.972 3.067 -8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.075 2.124 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.044 1.386 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.343 1.975 -6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.740 2.811 -6.966 1.00 0.00 H new ATOM 1543 N VAL A 97 -8.633 5.914 -7.379 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.749 6.846 -8.059 1.00 0.00 C ATOM 1545 C VAL A 97 -6.807 6.103 -8.999 1.00 0.00 C ATOM 1546 O VAL A 97 -6.780 6.363 -10.202 1.00 0.00 O ATOM 1547 CB VAL A 97 -6.922 7.674 -7.053 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -6.020 8.665 -7.774 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -7.838 8.393 -6.073 1.00 0.00 C ATOM 0 H VAL A 97 -8.374 5.716 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.375 7.526 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.287 6.989 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.448 9.236 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.335 8.125 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.629 9.345 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.237 8.972 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.502 9.062 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.431 7.661 -5.525 1.00 0.00 H new ATOM 1559 N TYR A 98 -6.049 5.169 -8.446 1.00 0.00 N ATOM 1560 CA TYR A 98 -5.081 4.413 -9.226 1.00 0.00 C ATOM 1561 C TYR A 98 -4.978 2.988 -8.696 1.00 0.00 C ATOM 1562 O TYR A 98 -5.084 2.757 -7.489 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.713 5.106 -9.170 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.689 4.560 -10.146 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.767 4.856 -11.501 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.638 3.762 -9.712 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.831 4.372 -12.394 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.696 3.276 -10.600 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.798 3.584 -11.940 1.00 0.00 C ATOM 1570 OH TYR A 98 0.141 3.108 -12.832 1.00 0.00 O ATOM 0 H TYR A 98 -6.085 4.916 -7.459 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.412 4.372 -10.264 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.851 6.169 -9.365 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.316 5.016 -8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.574 5.476 -11.863 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.555 3.517 -8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.909 4.611 -13.444 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.116 2.658 -10.246 1.00 0.00 H new ATOM 0 HH TYR A 98 0.804 2.569 -12.352 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.802 2.039 -9.600 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.596 0.649 -9.221 1.00 0.00 C ATOM 1582 C ARG A 99 -3.254 0.171 -9.764 1.00 0.00 C ATOM 1583 O ARG A 99 -2.940 0.370 -10.939 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.744 -0.232 -9.734 1.00 0.00 C ATOM 1585 CG ARG A 99 -5.878 -0.238 -11.245 1.00 0.00 C ATOM 1586 CD ARG A 99 -7.192 -0.861 -11.700 1.00 0.00 C ATOM 1587 NE ARG A 99 -7.278 -2.298 -11.420 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.590 -3.209 -12.342 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.787 -2.832 -13.602 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -7.710 -4.491 -12.006 1.00 0.00 N ATOM 0 H ARG A 99 -4.798 2.206 -10.606 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.586 0.572 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.589 -1.254 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.680 0.115 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.813 0.784 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.045 -0.790 -11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.019 -0.351 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.312 -0.698 -12.771 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.089 -2.617 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.699 -1.849 -13.860 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.026 -3.526 -14.311 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.563 -4.781 -11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.949 -5.184 -12.715 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.453 -0.434 -8.905 1.00 0.00 N ATOM 1605 CA LEU A 100 -1.107 -0.835 -9.280 1.00 0.00 C ATOM 1606 C LEU A 100 -0.872 -2.297 -8.915 1.00 0.00 C ATOM 1607 O LEU A 100 -0.813 -2.651 -7.739 1.00 0.00 O ATOM 1608 CB LEU A 100 -0.089 0.073 -8.574 1.00 0.00 C ATOM 1609 CG LEU A 100 1.285 0.199 -9.244 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.071 1.340 -8.617 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.075 -1.097 -9.136 1.00 0.00 C ATOM 0 H LEU A 100 -2.710 -0.659 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.984 -0.732 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.521 1.070 -8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.057 -0.300 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 100 1.124 0.410 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.045 1.420 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.524 2.274 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.209 1.145 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.044 -0.974 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.224 -1.346 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.524 -1.901 -9.625 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.758 -3.146 -9.925 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.464 -4.554 -9.704 1.00 0.00 C ATOM 1625 C VAL A 101 0.994 -4.853 -10.037 1.00 0.00 C ATOM 1626 O VAL A 101 1.449 -4.633 -11.162 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.394 -5.482 -10.522 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -2.799 -5.474 -9.947 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.427 -5.079 -11.990 1.00 0.00 C ATOM 0 H VAL A 101 -0.865 -2.885 -10.905 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.644 -4.756 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.992 -6.493 -10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.437 -6.133 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.772 -5.823 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.198 -4.460 -9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.089 -5.750 -12.537 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.794 -4.056 -12.078 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.422 -5.141 -12.407 1.00 0.00 H new ATOM 1639 N GLY A 102 1.727 -5.341 -9.050 1.00 0.00 N ATOM 1640 CA GLY A 102 3.133 -5.624 -9.236 1.00 0.00 C ATOM 1641 C GLY A 102 4.004 -4.721 -8.389 1.00 0.00 C ATOM 1642 O GLY A 102 3.558 -3.668 -7.935 1.00 0.00 O ATOM 0 H GLY A 102 1.370 -5.547 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.331 -6.665 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.393 -5.499 -10.287 1.00 0.00 H new ATOM 1646 N ALA A 103 5.242 -5.127 -8.172 1.00 0.00 N ATOM 1647 CA ALA A 103 6.167 -4.343 -7.371 1.00 0.00 C ATOM 1648 C ALA A 103 7.530 -4.278 -8.037 1.00 0.00 C ATOM 1649 O ALA A 103 8.060 -5.292 -8.497 1.00 0.00 O ATOM 1650 CB ALA A 103 6.292 -4.924 -5.972 1.00 0.00 C ATOM 0 H ALA A 103 5.631 -5.995 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 103 5.771 -3.330 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.989 -4.322 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.316 -4.919 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.661 -5.948 -6.035 1.00 0.00 H new ATOM 1656 N GLU A 104 8.081 -3.082 -8.107 1.00 0.00 N ATOM 1657 CA GLU A 104 9.398 -2.882 -8.682 1.00 0.00 C ATOM 1658 C GLU A 104 10.462 -2.897 -7.588 1.00 0.00 C ATOM 1659 O GLU A 104 10.165 -3.153 -6.420 1.00 0.00 O ATOM 1660 CB GLU A 104 9.458 -1.551 -9.436 1.00 0.00 C ATOM 1661 CG GLU A 104 8.395 -1.388 -10.511 1.00 0.00 C ATOM 1662 CD GLU A 104 8.433 -2.475 -11.564 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.511 -3.068 -11.787 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.381 -2.730 -12.189 1.00 0.00 O ATOM 0 H GLU A 104 7.634 -2.229 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 104 9.591 -3.695 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.359 -0.736 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.441 -1.453 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.412 -1.382 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.523 -0.420 -10.994 1.00 0.00 H new ATOM 1671 N ASP A 105 11.703 -2.635 -7.981 1.00 0.00 N ATOM 1672 CA ASP A 105 12.803 -2.486 -7.034 1.00 0.00 C ATOM 1673 C ASP A 105 12.607 -1.222 -6.203 1.00 0.00 C ATOM 1674 O ASP A 105 11.808 -0.365 -6.573 1.00 0.00 O ATOM 1675 CB ASP A 105 14.136 -2.419 -7.783 1.00 0.00 C ATOM 1676 CG ASP A 105 15.046 -3.586 -7.467 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.762 -4.713 -7.922 1.00 0.00 O ATOM 1678 OD2 ASP A 105 16.065 -3.380 -6.775 1.00 0.00 O ATOM 0 H ASP A 105 11.975 -2.520 -8.957 1.00 0.00 H new ATOM 0 HA ASP A 105 12.816 -3.349 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.944 -2.394 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.644 -1.489 -7.529 1.00 0.00 H new ATOM 1683 N ALA A 106 13.345 -1.098 -5.101 1.00 0.00 N ATOM 1684 CA ALA A 106 13.206 0.048 -4.193 1.00 0.00 C ATOM 1685 C ALA A 106 13.195 1.402 -4.928 1.00 0.00 C ATOM 1686 O ALA A 106 12.274 2.197 -4.719 1.00 0.00 O ATOM 1687 CB ALA A 106 14.290 0.022 -3.122 1.00 0.00 C ATOM 0 H ALA A 106 14.048 -1.778 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 106 12.232 -0.051 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.168 0.880 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.207 -0.898 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.271 0.066 -3.596 1.00 0.00 H new ATOM 1693 N PRO A 107 14.190 1.701 -5.802 1.00 0.00 N ATOM 1694 CA PRO A 107 14.221 2.976 -6.533 1.00 0.00 C ATOM 1695 C PRO A 107 13.001 3.161 -7.431 1.00 0.00 C ATOM 1696 O PRO A 107 12.376 4.224 -7.443 1.00 0.00 O ATOM 1697 CB PRO A 107 15.495 2.888 -7.385 1.00 0.00 C ATOM 1698 CG PRO A 107 16.319 1.824 -6.750 1.00 0.00 C ATOM 1699 CD PRO A 107 15.350 0.854 -6.144 1.00 0.00 C ATOM 0 HA PRO A 107 14.211 3.825 -5.850 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.260 2.639 -8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 107 16.025 3.840 -7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.954 1.332 -7.486 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.978 2.243 -5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.079 0.065 -6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.767 0.367 -5.262 1.00 0.00 H new ATOM 1707 N GLU A 108 12.658 2.115 -8.170 1.00 0.00 N ATOM 1708 CA GLU A 108 11.569 2.176 -9.128 1.00 0.00 C ATOM 1709 C GLU A 108 10.210 2.186 -8.435 1.00 0.00 C ATOM 1710 O GLU A 108 9.240 2.697 -8.985 1.00 0.00 O ATOM 1711 CB GLU A 108 11.654 1.000 -10.095 1.00 0.00 C ATOM 1712 CG GLU A 108 12.896 1.018 -10.967 1.00 0.00 C ATOM 1713 CD GLU A 108 12.892 -0.079 -12.010 1.00 0.00 C ATOM 1714 OE1 GLU A 108 12.341 0.145 -13.112 1.00 0.00 O ATOM 1715 OE2 GLU A 108 13.442 -1.163 -11.736 1.00 0.00 O ATOM 0 H GLU A 108 13.124 1.209 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 108 11.667 3.109 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.633 0.071 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.771 1.002 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.973 1.985 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.779 0.912 -10.337 1.00 0.00 H new ATOM 1722 N LEU A 109 10.147 1.618 -7.233 1.00 0.00 N ATOM 1723 CA LEU A 109 8.918 1.610 -6.443 1.00 0.00 C ATOM 1724 C LEU A 109 8.430 3.043 -6.255 1.00 0.00 C ATOM 1725 O LEU A 109 7.253 3.344 -6.468 1.00 0.00 O ATOM 1726 CB LEU A 109 9.171 0.952 -5.074 1.00 0.00 C ATOM 1727 CG LEU A 109 7.976 0.224 -4.427 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.819 1.171 -4.125 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.508 -0.920 -5.313 1.00 0.00 C ATOM 0 H LEU A 109 10.937 1.155 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 109 8.155 1.034 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.986 0.237 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.515 1.723 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 109 8.321 -0.179 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.001 0.612 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.154 1.948 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.474 1.631 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.664 -1.423 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.201 -0.527 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.323 -1.630 -5.451 1.00 0.00 H new ATOM 1741 N LEU A 110 9.361 3.919 -5.896 1.00 0.00 N ATOM 1742 CA LEU A 110 9.055 5.320 -5.647 1.00 0.00 C ATOM 1743 C LEU A 110 8.628 6.028 -6.933 1.00 0.00 C ATOM 1744 O LEU A 110 7.684 6.817 -6.930 1.00 0.00 O ATOM 1745 CB LEU A 110 10.272 6.024 -5.037 1.00 0.00 C ATOM 1746 CG LEU A 110 10.067 7.497 -4.672 1.00 0.00 C ATOM 1747 CD1 LEU A 110 8.992 7.641 -3.606 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.374 8.111 -4.197 1.00 0.00 C ATOM 0 H LEU A 110 10.344 3.679 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 110 8.224 5.366 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.570 5.483 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.101 5.954 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 110 9.737 8.030 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.862 8.695 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.052 7.237 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.291 7.095 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.212 9.158 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.730 7.574 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.118 8.042 -4.991 1.00 0.00 H new ATOM 1760 N LYS A 111 9.315 5.744 -8.030 1.00 0.00 N ATOM 1761 CA LYS A 111 8.995 6.378 -9.304 1.00 0.00 C ATOM 1762 C LYS A 111 7.654 5.896 -9.846 1.00 0.00 C ATOM 1763 O LYS A 111 6.860 6.691 -10.350 1.00 0.00 O ATOM 1764 CB LYS A 111 10.090 6.125 -10.342 1.00 0.00 C ATOM 1765 CG LYS A 111 11.326 6.989 -10.156 1.00 0.00 C ATOM 1766 CD LYS A 111 12.251 6.876 -11.355 1.00 0.00 C ATOM 1767 CE LYS A 111 13.355 7.918 -11.316 1.00 0.00 C ATOM 1768 NZ LYS A 111 14.207 7.869 -12.534 1.00 0.00 N ATOM 0 H LYS A 111 10.092 5.084 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 111 8.930 7.450 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.382 5.076 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.682 6.302 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.030 8.029 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 111 11.855 6.684 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.692 5.880 -11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.673 6.993 -12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.914 8.910 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.974 7.758 -10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.948 8.595 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.648 6.930 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.621 8.047 -13.375 1.00 0.00 H new ATOM 1782 N LYS A 112 7.405 4.596 -9.722 1.00 0.00 N ATOM 1783 CA LYS A 112 6.194 3.986 -10.255 1.00 0.00 C ATOM 1784 C LYS A 112 4.955 4.551 -9.565 1.00 0.00 C ATOM 1785 O LYS A 112 3.968 4.886 -10.220 1.00 0.00 O ATOM 1786 CB LYS A 112 6.246 2.465 -10.080 1.00 0.00 C ATOM 1787 CG LYS A 112 5.384 1.706 -11.072 1.00 0.00 C ATOM 1788 CD LYS A 112 5.304 0.230 -10.720 1.00 0.00 C ATOM 1789 CE LYS A 112 4.667 -0.586 -11.832 1.00 0.00 C ATOM 1790 NZ LYS A 112 5.590 -0.780 -12.981 1.00 0.00 N ATOM 0 H LYS A 112 8.031 3.942 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 112 6.133 4.219 -11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.279 2.132 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.927 2.214 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.381 2.133 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.794 1.821 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.306 -0.150 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.727 0.107 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.366 -1.558 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.761 -0.086 -12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.121 -1.356 -13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.844 0.145 -13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.451 -1.265 -12.657 1.00 0.00 H new ATOM 1804 N VAL A 113 5.016 4.670 -8.240 1.00 0.00 N ATOM 1805 CA VAL A 113 3.891 5.200 -7.479 1.00 0.00 C ATOM 1806 C VAL A 113 3.727 6.697 -7.733 1.00 0.00 C ATOM 1807 O VAL A 113 2.610 7.188 -7.869 1.00 0.00 O ATOM 1808 CB VAL A 113 4.034 4.925 -5.956 1.00 0.00 C ATOM 1809 CG1 VAL A 113 5.299 5.545 -5.385 1.00 0.00 C ATOM 1810 CG2 VAL A 113 2.812 5.420 -5.199 1.00 0.00 C ATOM 0 H VAL A 113 5.825 4.409 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 113 2.997 4.680 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 113 4.109 3.845 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.360 5.329 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.169 5.127 -5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.275 6.624 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.936 5.216 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.699 6.493 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.924 4.906 -5.566 1.00 0.00 H new ATOM 1820 N LYS A 114 4.844 7.407 -7.839 1.00 0.00 N ATOM 1821 CA LYS A 114 4.818 8.847 -8.063 1.00 0.00 C ATOM 1822 C LYS A 114 4.203 9.168 -9.424 1.00 0.00 C ATOM 1823 O LYS A 114 3.255 9.944 -9.519 1.00 0.00 O ATOM 1824 CB LYS A 114 6.239 9.407 -7.969 1.00 0.00 C ATOM 1825 CG LYS A 114 6.337 10.906 -8.128 1.00 0.00 C ATOM 1826 CD LYS A 114 5.705 11.615 -6.954 1.00 0.00 C ATOM 1827 CE LYS A 114 6.419 12.914 -6.642 1.00 0.00 C ATOM 1828 NZ LYS A 114 6.436 13.850 -7.802 1.00 0.00 N ATOM 0 H LYS A 114 5.780 7.008 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 114 4.201 9.315 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.662 9.129 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.853 8.933 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.383 11.199 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.843 11.211 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.656 11.818 -7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.729 10.966 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.932 13.398 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.443 12.698 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.417 14.003 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.886 13.442 -8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.016 14.759 -7.521 1.00 0.00 H new ATOM 1842 N LEU A 115 4.729 8.540 -10.465 1.00 0.00 N ATOM 1843 CA LEU A 115 4.254 8.770 -11.825 1.00 0.00 C ATOM 1844 C LEU A 115 2.842 8.215 -12.009 1.00 0.00 C ATOM 1845 O LEU A 115 2.076 8.692 -12.850 1.00 0.00 O ATOM 1846 CB LEU A 115 5.211 8.119 -12.829 1.00 0.00 C ATOM 1847 CG LEU A 115 4.911 8.396 -14.304 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.053 9.880 -14.611 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.831 7.576 -15.195 1.00 0.00 C ATOM 0 H LEU A 115 5.489 7.863 -10.395 1.00 0.00 H new ATOM 0 HA LEU A 115 4.224 9.845 -12.003 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.223 8.460 -12.612 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.197 7.041 -12.670 1.00 0.00 H new ATOM 0 HG LEU A 115 3.881 8.103 -14.507 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.836 10.056 -15.665 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.354 10.447 -13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.071 10.201 -14.392 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.605 7.784 -16.241 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.868 7.840 -14.988 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.680 6.515 -14.995 1.00 0.00 H new ATOM 1861 N GLY A 116 2.507 7.208 -11.214 1.00 0.00 N ATOM 1862 CA GLY A 116 1.193 6.604 -11.288 1.00 0.00 C ATOM 1863 C GLY A 116 0.123 7.451 -10.627 1.00 0.00 C ATOM 1864 O GLY A 116 -0.944 7.668 -11.202 1.00 0.00 O ATOM 0 H GLY A 116 3.126 6.797 -10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.930 6.443 -12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.221 5.624 -10.812 1.00 0.00 H new ATOM 1868 N VAL A 117 0.405 7.932 -9.421 1.00 0.00 N ATOM 1869 CA VAL A 117 -0.561 8.730 -8.671 1.00 0.00 C ATOM 1870 C VAL A 117 -0.713 10.121 -9.281 1.00 0.00 C ATOM 1871 O VAL A 117 -1.810 10.682 -9.299 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.172 8.845 -7.176 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.121 9.771 -6.427 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.163 7.470 -6.524 1.00 0.00 C ATOM 0 H VAL A 117 1.293 7.784 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.519 8.213 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 117 0.830 9.272 -7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.821 9.830 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.085 10.766 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.137 9.381 -6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.112 7.567 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.155 7.025 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.561 6.832 -7.031 1.00 0.00 H new ATOM 1884 N GLU A 118 0.378 10.675 -9.792 1.00 0.00 N ATOM 1885 CA GLU A 118 0.325 11.982 -10.427 1.00 0.00 C ATOM 1886 C GLU A 118 -0.153 11.863 -11.867 1.00 0.00 C ATOM 1887 O GLU A 118 0.635 11.606 -12.775 1.00 0.00 O ATOM 1888 CB GLU A 118 1.688 12.673 -10.399 1.00 0.00 C ATOM 1889 CG GLU A 118 2.211 12.954 -9.004 1.00 0.00 C ATOM 1890 CD GLU A 118 3.471 13.791 -9.023 1.00 0.00 C ATOM 1891 OE1 GLU A 118 4.490 13.336 -9.581 1.00 0.00 O ATOM 1892 OE2 GLU A 118 3.457 14.907 -8.463 1.00 0.00 O ATOM 0 H GLU A 118 1.302 10.243 -9.779 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.383 12.587 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.410 12.050 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 118 1.618 13.614 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.443 13.470 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.411 12.011 -8.496 1.00 0.00 H new ATOM 1899 N SER A 119 -1.449 12.019 -12.066 1.00 0.00 N ATOM 1900 CA SER A 119 -2.012 12.037 -13.402 1.00 0.00 C ATOM 1901 C SER A 119 -2.408 13.462 -13.769 1.00 0.00 C ATOM 1902 O SER A 119 -3.363 14.015 -13.222 1.00 0.00 O ATOM 1903 CB SER A 119 -3.216 11.100 -13.480 1.00 0.00 C ATOM 1904 OG SER A 119 -2.863 9.786 -13.068 1.00 0.00 O ATOM 0 H SER A 119 -2.132 12.135 -11.317 1.00 0.00 H new ATOM 0 HA SER A 119 -1.265 11.687 -14.115 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.019 11.480 -12.849 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.597 11.075 -14.501 1.00 0.00 H new ATOM 0 HG SER A 119 -3.649 9.203 -13.124 1.00 0.00 H new ATOM 1910 N GLU A 120 -1.649 14.061 -14.671 1.00 0.00 N ATOM 1911 CA GLU A 120 -1.873 15.444 -15.059 1.00 0.00 C ATOM 1912 C GLU A 120 -2.915 15.538 -16.163 1.00 0.00 C ATOM 1913 O GLU A 120 -3.043 14.632 -16.992 1.00 0.00 O ATOM 1914 CB GLU A 120 -0.565 16.072 -15.526 1.00 0.00 C ATOM 1915 CG GLU A 120 0.529 16.031 -14.475 1.00 0.00 C ATOM 1916 CD GLU A 120 1.880 16.393 -15.042 1.00 0.00 C ATOM 1917 OE1 GLU A 120 2.500 15.528 -15.693 1.00 0.00 O ATOM 1918 OE2 GLU A 120 2.334 17.540 -14.836 1.00 0.00 O ATOM 0 H GLU A 120 -0.870 13.610 -15.150 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.245 15.986 -14.190 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.220 15.553 -16.420 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.748 17.108 -15.809 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.280 16.719 -13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.575 15.033 -14.040 1.00 0.00 H new ATOM 1925 N GLY A 121 -3.658 16.632 -16.159 1.00 0.00 N ATOM 1926 CA GLY A 121 -4.664 16.851 -17.174 1.00 0.00 C ATOM 1927 C GLY A 121 -5.139 18.287 -17.188 1.00 0.00 C ATOM 1928 O GLY A 121 -4.500 19.119 -17.860 1.00 0.00 O ATOM 0 H GLY A 121 -3.581 17.377 -15.466 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.257 16.592 -18.152 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.511 16.189 -16.996 1.00 0.00 H new TER 1932 GLY A 121