USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 939 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 70 HIS : no HE2:sc= -0.106 K(o=2.1,f=-0.46) USER MOD Set 1.2: A 95 HIS : no HE2:sc= 1.06 K(o=2.1,f=-4) USER MOD Set 1.3: A 99 LYS NZ :NH3+ -122:sc= 1.16 (180deg=0) USER MOD Set 2.1: A 7 ASN : amide:sc=-0.00502 X(o=-1.3,f=-1.7) USER MOD Set 2.2: A 11 ASN : amide:sc= 0.0457 K(o=-1.3,f=-1.9) USER MOD Set 2.3: A 80 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-9.9!) USER MOD Single : A 2 GLN : amide:sc= 0.422 K(o=0.42,f=-0.35) USER MOD Single : A 5 MET CE :methyl -169:sc= 0 (180deg=-0.335) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc=-0.000899 (180deg=-0.0699) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.2) USER MOD Single : A 21 LYS NZ :NH3+ -138:sc= 1.27 (180deg=0.894) USER MOD Single : A 23 MET CE :methyl -164:sc= -0.616 (180deg=-1.54) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -157:sc= 1.24 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 10:sc= 1.03 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.604 K(o=0.6,f=-8.9!) USER MOD Single : A 48 THR OG1 : rot -45:sc= 0.448 USER MOD Single : A 53 MET CE :methyl 159:sc= -0.0361 (180deg=-0.411) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0.673 (180deg=0.375) USER MOD Single : A 60 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.6!) USER MOD Single : A 61 MET CE :methyl 144:sc= 0 (180deg=-0.147) USER MOD Single : A 69 HIS : no HD1:sc= 0.407 K(o=0.41,f=-3.9!) USER MOD Single : A 72 ASN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 74 MET CE :methyl 132:sc= -0.498 (180deg=-2.57) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.138) USER MOD Single : A 85 THR OG1 : rot 180:sc=0.000727 USER MOD Single : A 86 MET CE :methyl 167:sc= -0.93 (180deg=-1.37) USER MOD Single : A 88 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= -0.0185 K(o=-0.018,f=-0.67) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.359 K(o=-0.36,f=-2.2!) USER MOD Single : A 107 LYS NZ :NH3+ -133:sc= 0.236 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 149:sc= 0.277 USER MOD Single : A 116 THR OG1 : rot 85:sc= 1.31 USER MOD Single : A 119 LYS NZ :NH3+ -127:sc= -0.0212 (180deg=-1.91!) USER MOD Single : A 123 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0.0038) USER MOD Single : A 124 LYS NZ :NH3+ -165:sc= -0.0261 (180deg=-0.176) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.103 -10.547 2.787 1.00 0.00 N ATOM 13 CA GLN A 2 10.715 -10.881 3.104 1.00 0.00 C ATOM 14 C GLN A 2 10.352 -10.514 4.549 1.00 0.00 C ATOM 15 O GLN A 2 9.260 -10.004 4.772 1.00 0.00 O ATOM 16 CB GLN A 2 10.460 -12.373 2.833 1.00 0.00 C ATOM 17 CG GLN A 2 10.572 -12.728 1.343 1.00 0.00 C ATOM 18 CD GLN A 2 10.703 -14.224 1.059 1.00 0.00 C ATOM 19 OE1 GLN A 2 10.525 -15.083 1.922 1.00 0.00 O ATOM 20 NE2 GLN A 2 11.068 -14.575 -0.160 1.00 0.00 N ATOM 0 HA GLN A 2 10.070 -10.288 2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.175 -12.969 3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.466 -12.640 3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.692 -12.348 0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.437 -12.214 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.215 -13.861 -0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.203 -15.560 -0.388 1.00 0.00 H new ATOM 29 N GLU A 3 11.260 -10.697 5.515 1.00 0.00 N ATOM 30 CA GLU A 3 11.037 -10.408 6.936 1.00 0.00 C ATOM 31 C GLU A 3 10.516 -8.988 7.162 1.00 0.00 C ATOM 32 O GLU A 3 9.555 -8.756 7.902 1.00 0.00 O ATOM 33 CB GLU A 3 12.376 -10.577 7.668 1.00 0.00 C ATOM 34 CG GLU A 3 12.266 -10.473 9.188 1.00 0.00 C ATOM 35 CD GLU A 3 13.608 -10.545 9.928 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.699 -10.398 9.316 1.00 0.00 O ATOM 37 OE2 GLU A 3 13.550 -10.708 11.167 1.00 0.00 O ATOM 0 H GLU A 3 12.194 -11.060 5.325 1.00 0.00 H new ATOM 0 HA GLU A 3 10.281 -11.095 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.801 -11.547 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.073 -9.819 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.776 -9.533 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.623 -11.275 9.549 1.00 0.00 H new ATOM 44 N VAL A 4 11.197 -8.014 6.562 1.00 0.00 N ATOM 45 CA VAL A 4 10.828 -6.617 6.706 1.00 0.00 C ATOM 46 C VAL A 4 9.570 -6.347 5.904 1.00 0.00 C ATOM 47 O VAL A 4 8.616 -5.781 6.425 1.00 0.00 O ATOM 48 CB VAL A 4 12.004 -5.699 6.362 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.829 -6.063 5.129 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.558 -4.234 6.319 1.00 0.00 C ATOM 0 H VAL A 4 12.011 -8.173 5.969 1.00 0.00 H new ATOM 0 HA VAL A 4 10.593 -6.392 7.746 1.00 0.00 H new ATOM 0 HB VAL A 4 12.703 -5.858 7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.629 -5.334 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.260 -7.055 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.187 -6.060 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.411 -3.601 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.784 -4.111 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.161 -3.946 7.292 1.00 0.00 H new ATOM 60 N MET A 5 9.575 -6.761 4.644 1.00 0.00 N ATOM 61 CA MET A 5 8.489 -6.616 3.703 1.00 0.00 C ATOM 62 C MET A 5 7.141 -7.049 4.299 1.00 0.00 C ATOM 63 O MET A 5 6.198 -6.253 4.327 1.00 0.00 O ATOM 64 CB MET A 5 8.869 -7.371 2.422 1.00 0.00 C ATOM 65 CG MET A 5 8.168 -6.716 1.271 1.00 0.00 C ATOM 66 SD MET A 5 9.155 -5.398 0.547 1.00 0.00 S ATOM 67 CE MET A 5 7.739 -4.516 -0.076 1.00 0.00 C ATOM 0 H MET A 5 10.383 -7.231 4.236 1.00 0.00 H new ATOM 0 HA MET A 5 8.342 -5.564 3.457 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.949 -7.349 2.273 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.579 -8.419 2.498 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.945 -7.463 0.509 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.214 -6.311 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.070 -3.730 -0.754 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.087 -5.206 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.192 -4.072 0.756 1.00 0.00 H new ATOM 77 N LYS A 6 7.074 -8.259 4.858 1.00 0.00 N ATOM 78 CA LYS A 6 5.928 -8.799 5.580 1.00 0.00 C ATOM 79 C LYS A 6 5.495 -7.818 6.663 1.00 0.00 C ATOM 80 O LYS A 6 4.335 -7.407 6.679 1.00 0.00 O ATOM 81 CB LYS A 6 6.323 -10.189 6.118 1.00 0.00 C ATOM 82 CG LYS A 6 5.225 -10.998 6.827 1.00 0.00 C ATOM 83 CD LYS A 6 4.929 -10.560 8.273 1.00 0.00 C ATOM 84 CE LYS A 6 4.333 -11.718 9.088 1.00 0.00 C ATOM 85 NZ LYS A 6 5.357 -12.722 9.453 1.00 0.00 N ATOM 0 H LYS A 6 7.853 -8.916 4.816 1.00 0.00 H new ATOM 0 HA LYS A 6 5.060 -8.928 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.696 -10.782 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.152 -10.060 6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.306 -10.924 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.515 -12.049 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.847 -10.212 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.235 -9.720 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.872 -11.324 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.543 -12.199 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.979 -13.352 10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.609 -13.282 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.204 -12.238 9.814 1.00 0.00 H new ATOM 99 N ASN A 7 6.407 -7.436 7.561 1.00 0.00 N ATOM 100 CA ASN A 7 6.110 -6.581 8.711 1.00 0.00 C ATOM 101 C ASN A 7 5.665 -5.171 8.320 1.00 0.00 C ATOM 102 O ASN A 7 4.842 -4.563 9.009 1.00 0.00 O ATOM 103 CB ASN A 7 7.363 -6.431 9.574 1.00 0.00 C ATOM 104 CG ASN A 7 7.019 -5.794 10.918 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.016 -6.139 11.543 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.831 -4.871 11.393 1.00 0.00 N ATOM 0 H ASN A 7 7.386 -7.717 7.508 1.00 0.00 H new ATOM 0 HA ASN A 7 5.293 -7.068 9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.819 -7.408 9.735 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.098 -5.818 9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.633 -4.431 12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.658 -4.597 10.862 1.00 0.00 H new ATOM 113 N LEU A 8 6.223 -4.634 7.235 1.00 0.00 N ATOM 114 CA LEU A 8 5.831 -3.365 6.641 1.00 0.00 C ATOM 115 C LEU A 8 4.357 -3.473 6.277 1.00 0.00 C ATOM 116 O LEU A 8 3.522 -2.751 6.824 1.00 0.00 O ATOM 117 CB LEU A 8 6.661 -3.068 5.377 1.00 0.00 C ATOM 118 CG LEU A 8 8.093 -2.557 5.571 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.844 -2.542 4.234 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.062 -1.126 6.075 1.00 0.00 C ATOM 0 H LEU A 8 6.985 -5.089 6.732 1.00 0.00 H new ATOM 0 HA LEU A 8 6.005 -2.552 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.708 -3.981 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.119 -2.331 4.785 1.00 0.00 H new ATOM 0 HG LEU A 8 8.589 -3.218 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.859 -2.176 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.881 -3.552 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.327 -1.887 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.082 -0.766 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.549 -0.495 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.533 -1.087 7.027 1.00 0.00 H new ATOM 132 N SER A 9 4.038 -4.452 5.428 1.00 0.00 N ATOM 133 CA SER A 9 2.706 -4.741 4.913 1.00 0.00 C ATOM 134 C SER A 9 1.771 -5.342 5.979 1.00 0.00 C ATOM 135 O SER A 9 0.756 -5.946 5.637 1.00 0.00 O ATOM 136 CB SER A 9 2.853 -5.644 3.675 1.00 0.00 C ATOM 137 OG SER A 9 2.076 -5.133 2.614 1.00 0.00 O ATOM 0 H SER A 9 4.741 -5.096 5.065 1.00 0.00 H new ATOM 0 HA SER A 9 2.223 -3.808 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.900 -5.700 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.535 -6.659 3.914 1.00 0.00 H new ATOM 0 HG SER A 9 2.175 -5.711 1.829 1.00 0.00 H new ATOM 143 N LEU A 10 2.117 -5.231 7.262 1.00 0.00 N ATOM 144 CA LEU A 10 1.396 -5.735 8.418 1.00 0.00 C ATOM 145 C LEU A 10 1.038 -4.544 9.291 1.00 0.00 C ATOM 146 O LEU A 10 -0.135 -4.287 9.556 1.00 0.00 O ATOM 147 CB LEU A 10 2.289 -6.753 9.128 1.00 0.00 C ATOM 148 CG LEU A 10 1.636 -7.373 10.363 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.015 -8.848 10.419 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.043 -6.670 11.666 1.00 0.00 C ATOM 0 H LEU A 10 2.974 -4.749 7.534 1.00 0.00 H new ATOM 0 HA LEU A 10 0.470 -6.245 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.552 -7.546 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.219 -6.267 9.423 1.00 0.00 H new ATOM 0 HG LEU A 10 0.556 -7.253 10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.558 -9.308 11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.660 -9.349 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.099 -8.943 10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.549 -7.153 12.509 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.124 -6.735 11.792 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.745 -5.622 11.622 1.00 0.00 H new ATOM 162 N ASN A 11 2.059 -3.770 9.665 1.00 0.00 N ATOM 163 CA ASN A 11 1.944 -2.484 10.347 1.00 0.00 C ATOM 164 C ASN A 11 1.032 -1.547 9.580 1.00 0.00 C ATOM 165 O ASN A 11 0.155 -0.916 10.157 1.00 0.00 O ATOM 166 CB ASN A 11 3.321 -1.823 10.413 1.00 0.00 C ATOM 167 CG ASN A 11 4.045 -2.211 11.675 1.00 0.00 C ATOM 168 OD1 ASN A 11 4.022 -1.464 12.646 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.620 -3.400 11.721 1.00 0.00 N ATOM 0 H ASN A 11 3.029 -4.036 9.492 1.00 0.00 H new ATOM 0 HA ASN A 11 1.539 -2.666 11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.912 -2.117 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.211 -0.739 10.371 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.062 -3.720 12.583 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.622 -3.998 10.895 1.00 0.00 H new ATOM 176 N PHE A 12 1.242 -1.472 8.267 1.00 0.00 N ATOM 177 CA PHE A 12 0.447 -0.681 7.347 1.00 0.00 C ATOM 178 C PHE A 12 -1.059 -0.883 7.589 1.00 0.00 C ATOM 179 O PHE A 12 -1.800 0.096 7.632 1.00 0.00 O ATOM 180 CB PHE A 12 0.920 -1.048 5.934 1.00 0.00 C ATOM 181 CG PHE A 12 -0.036 -0.729 4.812 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.032 -1.665 4.475 1.00 0.00 C ATOM 183 CD2 PHE A 12 0.088 0.466 4.081 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.904 -1.415 3.405 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.810 0.725 3.031 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.799 -0.211 2.695 1.00 0.00 C ATOM 0 H PHE A 12 1.997 -1.979 7.805 1.00 0.00 H new ATOM 0 HA PHE A 12 0.590 0.389 7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.860 -0.531 5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.133 -2.117 5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.125 -2.579 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.864 1.177 4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.651 -2.145 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.738 1.651 2.479 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.483 -0.003 1.885 1.00 0.00 H new ATOM 196 N GLY A 13 -1.499 -2.123 7.831 1.00 0.00 N ATOM 197 CA GLY A 13 -2.898 -2.488 8.006 1.00 0.00 C ATOM 198 C GLY A 13 -3.413 -2.404 9.445 1.00 0.00 C ATOM 199 O GLY A 13 -4.506 -2.904 9.698 1.00 0.00 O ATOM 0 H GLY A 13 -0.867 -2.920 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.509 -1.838 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.040 -3.506 7.644 1.00 0.00 H new ATOM 203 N LYS A 14 -2.669 -1.825 10.395 1.00 0.00 N ATOM 204 CA LYS A 14 -3.076 -1.760 11.803 1.00 0.00 C ATOM 205 C LYS A 14 -4.381 -0.984 11.967 1.00 0.00 C ATOM 206 O LYS A 14 -5.387 -1.583 12.351 1.00 0.00 O ATOM 207 CB LYS A 14 -1.942 -1.164 12.649 1.00 0.00 C ATOM 208 CG LYS A 14 -0.828 -2.194 12.911 1.00 0.00 C ATOM 209 CD LYS A 14 -0.846 -2.718 14.351 1.00 0.00 C ATOM 210 CE LYS A 14 -0.408 -4.182 14.465 1.00 0.00 C ATOM 211 NZ LYS A 14 -1.542 -5.101 14.712 1.00 0.00 N ATOM 0 H LYS A 14 -1.767 -1.388 10.208 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.268 -2.772 12.161 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.524 -0.297 12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.343 -0.811 13.599 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.940 -3.030 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.141 -1.738 12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.190 -2.100 14.964 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.852 -2.614 14.756 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.100 -4.477 13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.315 -4.278 15.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.189 -6.077 14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.013 -4.840 15.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.221 -5.033 13.928 1.00 0.00 H new ATOM 225 N ALA A 15 -4.390 0.312 11.637 1.00 0.00 N ATOM 226 CA ALA A 15 -5.556 1.194 11.730 1.00 0.00 C ATOM 227 C ALA A 15 -6.547 0.974 10.568 1.00 0.00 C ATOM 228 O ALA A 15 -7.272 1.897 10.181 1.00 0.00 O ATOM 229 CB ALA A 15 -5.083 2.655 11.873 1.00 0.00 C ATOM 0 H ALA A 15 -3.560 0.790 11.287 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.125 0.943 12.625 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.949 3.313 11.942 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.478 2.755 12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.487 2.931 11.003 1.00 0.00 H new ATOM 235 N LEU A 16 -6.586 -0.232 9.983 1.00 0.00 N ATOM 236 CA LEU A 16 -7.535 -0.620 8.941 1.00 0.00 C ATOM 237 C LEU A 16 -8.956 -0.440 9.451 1.00 0.00 C ATOM 238 O LEU A 16 -9.743 0.248 8.818 1.00 0.00 O ATOM 239 CB LEU A 16 -7.295 -2.087 8.528 1.00 0.00 C ATOM 240 CG LEU A 16 -8.314 -2.628 7.502 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.012 -2.090 6.105 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.309 -4.158 7.477 1.00 0.00 C ATOM 0 H LEU A 16 -5.939 -0.981 10.231 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.390 0.015 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.292 -2.176 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.325 -2.714 9.419 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.303 -2.287 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.742 -2.484 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.067 -1.001 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.011 -2.400 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.036 -4.512 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.316 -4.514 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.572 -4.539 8.464 1.00 0.00 H new ATOM 254 N ASP A 17 -9.291 -1.084 10.565 1.00 0.00 N ATOM 255 CA ASP A 17 -10.656 -1.152 11.081 1.00 0.00 C ATOM 256 C ASP A 17 -11.187 0.222 11.466 1.00 0.00 C ATOM 257 O ASP A 17 -12.365 0.516 11.286 1.00 0.00 O ATOM 258 CB ASP A 17 -10.638 -2.038 12.322 1.00 0.00 C ATOM 259 CG ASP A 17 -12.033 -2.571 12.599 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.521 -3.404 11.806 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.644 -2.168 13.612 1.00 0.00 O ATOM 0 H ASP A 17 -8.613 -1.580 11.143 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.307 -1.553 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.945 -2.867 12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.280 -1.469 13.180 1.00 0.00 H new ATOM 266 N GLU A 18 -10.291 1.083 11.934 1.00 0.00 N ATOM 267 CA GLU A 18 -10.599 2.488 12.145 1.00 0.00 C ATOM 268 C GLU A 18 -11.031 3.138 10.828 1.00 0.00 C ATOM 269 O GLU A 18 -12.195 3.514 10.691 1.00 0.00 O ATOM 270 CB GLU A 18 -9.401 3.210 12.770 1.00 0.00 C ATOM 271 CG GLU A 18 -9.339 2.955 14.277 1.00 0.00 C ATOM 272 CD GLU A 18 -10.498 3.651 15.020 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.493 4.891 15.074 1.00 0.00 O ATOM 274 OE2 GLU A 18 -11.403 2.937 15.487 1.00 0.00 O ATOM 0 H GLU A 18 -9.334 0.826 12.176 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.431 2.571 12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.479 2.868 12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.477 4.281 12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.377 1.882 14.467 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.387 3.315 14.668 1.00 0.00 H new ATOM 281 N CYS A 19 -10.129 3.212 9.845 1.00 0.00 N ATOM 282 CA CYS A 19 -10.391 3.780 8.520 1.00 0.00 C ATOM 283 C CYS A 19 -11.615 3.163 7.841 1.00 0.00 C ATOM 284 O CYS A 19 -12.354 3.850 7.135 1.00 0.00 O ATOM 285 CB CYS A 19 -9.164 3.563 7.630 1.00 0.00 C ATOM 286 SG CYS A 19 -8.005 4.939 7.658 1.00 0.00 S ATOM 0 H CYS A 19 -9.174 2.870 9.951 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.596 4.842 8.658 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.648 2.657 7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.494 3.397 6.604 1.00 0.00 H new ATOM 291 N LYS A 20 -11.848 1.871 8.066 1.00 0.00 N ATOM 292 CA LYS A 20 -13.030 1.183 7.622 1.00 0.00 C ATOM 293 C LYS A 20 -14.267 1.887 8.155 1.00 0.00 C ATOM 294 O LYS A 20 -15.072 2.333 7.343 1.00 0.00 O ATOM 295 CB LYS A 20 -12.992 -0.260 8.101 1.00 0.00 C ATOM 296 CG LYS A 20 -12.248 -1.283 7.239 1.00 0.00 C ATOM 297 CD LYS A 20 -12.143 -2.681 7.884 1.00 0.00 C ATOM 298 CE LYS A 20 -13.496 -3.061 8.479 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.488 -4.217 9.381 1.00 0.00 N ATOM 0 H LYS A 20 -11.198 1.272 8.574 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.067 1.191 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.543 -0.271 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.021 -0.602 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.756 -1.373 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.244 -0.911 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.840 -3.417 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.378 -2.680 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.888 -2.201 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.188 -3.265 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.444 -4.622 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.828 -4.935 9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.186 -3.915 10.329 1.00 0.00 H new ATOM 313 N LYS A 21 -14.455 1.983 9.476 1.00 0.00 N ATOM 314 CA LYS A 21 -15.652 2.651 9.986 1.00 0.00 C ATOM 315 C LYS A 21 -15.662 4.131 9.591 1.00 0.00 C ATOM 316 O LYS A 21 -16.733 4.638 9.276 1.00 0.00 O ATOM 317 CB LYS A 21 -15.835 2.444 11.499 1.00 0.00 C ATOM 318 CG LYS A 21 -16.573 1.135 11.840 1.00 0.00 C ATOM 319 CD LYS A 21 -15.680 -0.109 12.010 1.00 0.00 C ATOM 320 CE LYS A 21 -15.700 -0.635 13.455 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.334 -2.064 13.555 1.00 0.00 N ATOM 0 H LYS A 21 -13.819 1.621 10.186 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.517 2.183 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.857 2.440 11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.390 3.286 11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.135 1.285 12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.300 0.933 11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.018 -0.894 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.657 0.137 11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.011 -0.046 14.060 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.696 -0.490 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.966 -2.538 14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.428 -2.513 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.350 -2.148 13.882 1.00 0.00 H new ATOM 335 N GLU A 22 -14.506 4.800 9.531 1.00 0.00 N ATOM 336 CA GLU A 22 -14.410 6.218 9.172 1.00 0.00 C ATOM 337 C GLU A 22 -14.987 6.520 7.788 1.00 0.00 C ATOM 338 O GLU A 22 -15.491 7.620 7.565 1.00 0.00 O ATOM 339 CB GLU A 22 -12.949 6.687 9.147 1.00 0.00 C ATOM 340 CG GLU A 22 -12.311 6.963 10.511 1.00 0.00 C ATOM 341 CD GLU A 22 -11.304 8.105 10.377 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.249 7.921 9.732 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.594 9.219 10.866 1.00 0.00 O ATOM 0 H GLU A 22 -13.604 4.369 9.732 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.985 6.742 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.354 5.931 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.890 7.597 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.080 7.224 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.814 6.066 10.881 1.00 0.00 H new ATOM 350 N MET A 23 -14.860 5.592 6.837 1.00 0.00 N ATOM 351 CA MET A 23 -15.257 5.793 5.449 1.00 0.00 C ATOM 352 C MET A 23 -16.357 4.825 5.008 1.00 0.00 C ATOM 353 O MET A 23 -16.781 4.861 3.853 1.00 0.00 O ATOM 354 CB MET A 23 -14.018 5.708 4.555 1.00 0.00 C ATOM 355 CG MET A 23 -12.915 6.700 4.949 1.00 0.00 C ATOM 356 SD MET A 23 -11.964 7.369 3.565 1.00 0.00 S ATOM 357 CE MET A 23 -11.370 5.820 2.874 1.00 0.00 C ATOM 0 H MET A 23 -14.472 4.666 7.017 1.00 0.00 H new ATOM 0 HA MET A 23 -15.694 6.787 5.353 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.618 4.695 4.596 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.311 5.893 3.522 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.369 7.528 5.493 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.229 6.205 5.636 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.544 6.019 2.192 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.027 5.170 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.178 5.330 2.331 1.00 0.00 H new ATOM 367 N THR A 24 -16.858 3.989 5.917 1.00 0.00 N ATOM 368 CA THR A 24 -17.700 2.837 5.626 1.00 0.00 C ATOM 369 C THR A 24 -17.082 1.963 4.527 1.00 0.00 C ATOM 370 O THR A 24 -17.574 1.860 3.394 1.00 0.00 O ATOM 371 CB THR A 24 -19.139 3.289 5.355 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.567 4.130 6.413 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.081 2.091 5.261 1.00 0.00 C ATOM 0 H THR A 24 -16.679 4.103 6.915 1.00 0.00 H new ATOM 0 HA THR A 24 -17.753 2.187 6.499 1.00 0.00 H new ATOM 0 HB THR A 24 -19.161 3.825 4.406 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.487 4.424 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.095 2.440 5.068 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.761 1.439 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.060 1.537 6.200 1.00 0.00 H new ATOM 381 N LEU A 25 -15.985 1.299 4.885 1.00 0.00 N ATOM 382 CA LEU A 25 -15.369 0.264 4.080 1.00 0.00 C ATOM 383 C LEU A 25 -15.680 -1.063 4.743 1.00 0.00 C ATOM 384 O LEU A 25 -16.108 -1.129 5.900 1.00 0.00 O ATOM 385 CB LEU A 25 -13.857 0.472 3.921 1.00 0.00 C ATOM 386 CG LEU A 25 -13.450 1.935 3.688 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.935 2.007 3.505 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.153 2.550 2.469 1.00 0.00 C ATOM 0 H LEU A 25 -15.495 1.474 5.762 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.773 0.293 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.354 0.103 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.503 -0.131 3.084 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.758 2.512 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.637 3.042 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.442 1.627 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.643 1.403 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.832 3.584 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.895 1.982 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.232 2.520 2.618 1.00 0.00 H new ATOM 400 N THR A 26 -15.477 -2.111 3.974 1.00 0.00 N ATOM 401 CA THR A 26 -16.159 -3.369 4.138 1.00 0.00 C ATOM 402 C THR A 26 -15.193 -4.392 4.728 1.00 0.00 C ATOM 403 O THR A 26 -14.019 -4.094 4.951 1.00 0.00 O ATOM 404 CB THR A 26 -16.702 -3.716 2.739 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.702 -3.538 1.742 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.878 -2.785 2.422 1.00 0.00 C ATOM 0 H THR A 26 -14.815 -2.108 3.198 1.00 0.00 H new ATOM 0 HA THR A 26 -16.992 -3.344 4.840 1.00 0.00 H new ATOM 0 HB THR A 26 -17.016 -4.760 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.129 -3.406 0.870 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.272 -3.020 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.662 -2.922 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.538 -1.750 2.440 1.00 0.00 H new ATOM 414 N ASP A 27 -15.657 -5.613 4.992 1.00 0.00 N ATOM 415 CA ASP A 27 -14.775 -6.710 5.354 1.00 0.00 C ATOM 416 C ASP A 27 -14.267 -7.478 4.152 1.00 0.00 C ATOM 417 O ASP A 27 -13.316 -8.243 4.281 1.00 0.00 O ATOM 418 CB ASP A 27 -15.456 -7.626 6.352 1.00 0.00 C ATOM 419 CG ASP A 27 -15.905 -8.989 5.851 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.874 -9.043 5.067 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.366 -10.000 6.362 1.00 0.00 O ATOM 0 H ASP A 27 -16.645 -5.863 4.960 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.894 -6.274 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.774 -7.781 7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.330 -7.106 6.746 1.00 0.00 H new ATOM 426 N ALA A 28 -14.830 -7.240 2.971 1.00 0.00 N ATOM 427 CA ALA A 28 -14.305 -7.877 1.781 1.00 0.00 C ATOM 428 C ALA A 28 -12.881 -7.394 1.472 1.00 0.00 C ATOM 429 O ALA A 28 -12.101 -8.144 0.883 1.00 0.00 O ATOM 430 CB ALA A 28 -15.232 -7.626 0.589 1.00 0.00 C ATOM 0 H ALA A 28 -15.630 -6.625 2.819 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.258 -8.950 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.824 -8.111 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.220 -8.034 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.314 -6.554 0.411 1.00 0.00 H new ATOM 436 N ILE A 29 -12.508 -6.182 1.907 1.00 0.00 N ATOM 437 CA ILE A 29 -11.130 -5.715 1.794 1.00 0.00 C ATOM 438 C ILE A 29 -10.185 -6.564 2.648 1.00 0.00 C ATOM 439 O ILE A 29 -9.016 -6.713 2.311 1.00 0.00 O ATOM 440 CB ILE A 29 -10.996 -4.216 2.155 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.044 -3.988 3.680 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.017 -3.366 1.374 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.240 -2.533 4.092 1.00 0.00 C ATOM 0 H ILE A 29 -13.145 -5.512 2.339 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.841 -5.828 0.749 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.009 -3.876 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.854 -4.584 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.117 -4.356 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.901 -2.317 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.846 -3.484 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.027 -3.695 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.262 -2.463 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.417 -1.932 3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.181 -2.163 3.685 1.00 0.00 H new ATOM 455 N ASN A 30 -10.683 -7.110 3.759 1.00 0.00 N ATOM 456 CA ASN A 30 -9.908 -7.931 4.672 1.00 0.00 C ATOM 457 C ASN A 30 -9.530 -9.219 3.962 1.00 0.00 C ATOM 458 O ASN A 30 -8.423 -9.704 4.165 1.00 0.00 O ATOM 459 CB ASN A 30 -10.741 -8.245 5.926 1.00 0.00 C ATOM 460 CG ASN A 30 -10.011 -7.989 7.229 1.00 0.00 C ATOM 461 OD1 ASN A 30 -8.862 -8.375 7.422 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.694 -7.356 8.169 1.00 0.00 N ATOM 0 H ASN A 30 -11.653 -6.988 4.048 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.007 -7.400 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.650 -7.644 5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.049 -9.290 5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.267 -7.179 9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.648 -7.045 7.984 1.00 0.00 H new ATOM 469 N GLU A 31 -10.421 -9.754 3.117 1.00 0.00 N ATOM 470 CA GLU A 31 -10.142 -10.907 2.278 1.00 0.00 C ATOM 471 C GLU A 31 -9.056 -10.582 1.254 1.00 0.00 C ATOM 472 O GLU A 31 -8.175 -11.407 1.021 1.00 0.00 O ATOM 473 CB GLU A 31 -11.416 -11.350 1.551 1.00 0.00 C ATOM 474 CG GLU A 31 -11.479 -12.875 1.422 1.00 0.00 C ATOM 475 CD GLU A 31 -11.685 -13.361 -0.014 1.00 0.00 C ATOM 476 OE1 GLU A 31 -10.782 -13.213 -0.864 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.723 -14.017 -0.267 1.00 0.00 O ATOM 0 H GLU A 31 -11.366 -9.387 3.002 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.789 -11.716 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.291 -10.992 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.448 -10.897 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.555 -13.303 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.292 -13.250 2.044 1.00 0.00 H new ATOM 484 N ASP A 32 -9.105 -9.383 0.662 1.00 0.00 N ATOM 485 CA ASP A 32 -8.103 -8.913 -0.290 1.00 0.00 C ATOM 486 C ASP A 32 -6.748 -8.891 0.397 1.00 0.00 C ATOM 487 O ASP A 32 -5.804 -9.501 -0.089 1.00 0.00 O ATOM 488 CB ASP A 32 -8.431 -7.509 -0.829 1.00 0.00 C ATOM 489 CG ASP A 32 -8.860 -7.506 -2.280 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.903 -8.092 -2.623 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.186 -6.808 -3.072 1.00 0.00 O ATOM 0 H ASP A 32 -9.850 -8.708 0.835 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.094 -9.595 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.224 -7.072 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.555 -6.871 -0.716 1.00 0.00 H new ATOM 496 N PHE A 33 -6.639 -8.188 1.522 1.00 0.00 N ATOM 497 CA PHE A 33 -5.404 -8.057 2.279 1.00 0.00 C ATOM 498 C PHE A 33 -4.905 -9.414 2.775 1.00 0.00 C ATOM 499 O PHE A 33 -3.704 -9.663 2.685 1.00 0.00 O ATOM 500 CB PHE A 33 -5.648 -7.064 3.427 1.00 0.00 C ATOM 501 CG PHE A 33 -5.832 -5.617 2.987 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.912 -5.004 2.109 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.937 -4.875 3.450 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.118 -3.683 1.673 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.151 -3.561 3.001 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.244 -2.965 2.113 1.00 0.00 C ATOM 0 H PHE A 33 -7.423 -7.685 1.938 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.611 -7.671 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.534 -7.378 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.807 -7.115 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.045 -5.552 1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.624 -5.319 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.411 -3.220 1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.015 -3.009 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.410 -1.955 1.767 1.00 0.00 H new ATOM 516 N TYR A 34 -5.795 -10.292 3.231 1.00 0.00 N ATOM 517 CA TYR A 34 -5.492 -11.654 3.649 1.00 0.00 C ATOM 518 C TYR A 34 -4.938 -12.499 2.497 1.00 0.00 C ATOM 519 O TYR A 34 -4.021 -13.294 2.703 1.00 0.00 O ATOM 520 CB TYR A 34 -6.782 -12.266 4.203 1.00 0.00 C ATOM 521 CG TYR A 34 -6.747 -13.761 4.388 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.947 -14.325 5.395 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.489 -14.586 3.521 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.878 -15.719 5.536 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.438 -15.981 3.667 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.630 -16.548 4.677 1.00 0.00 C ATOM 527 OH TYR A 34 -6.581 -17.894 4.821 1.00 0.00 O ATOM 0 H TYR A 34 -6.785 -10.063 3.322 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.715 -11.636 4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.004 -11.801 5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.603 -12.017 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.385 -13.686 6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.097 -14.146 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.251 -16.156 6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.013 -16.617 3.011 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.158 -18.316 4.150 1.00 0.00 H new ATOM 537 N ASN A 35 -5.470 -12.331 1.286 1.00 0.00 N ATOM 538 CA ASN A 35 -5.074 -13.066 0.085 1.00 0.00 C ATOM 539 C ASN A 35 -4.088 -12.248 -0.768 1.00 0.00 C ATOM 540 O ASN A 35 -3.879 -12.569 -1.934 1.00 0.00 O ATOM 541 CB ASN A 35 -6.324 -13.448 -0.734 1.00 0.00 C ATOM 542 CG ASN A 35 -7.115 -14.632 -0.181 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.596 -15.737 -0.033 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.405 -14.467 0.049 1.00 0.00 N ATOM 0 H ASN A 35 -6.214 -11.656 1.108 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.563 -13.979 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.984 -12.582 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.016 -13.679 -1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.974 -15.258 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.832 -13.549 -0.075 1.00 0.00 H new ATOM 551 N PHE A 36 -3.494 -11.161 -0.267 1.00 0.00 N ATOM 552 CA PHE A 36 -2.696 -10.257 -1.103 1.00 0.00 C ATOM 553 C PHE A 36 -1.437 -10.946 -1.634 1.00 0.00 C ATOM 554 O PHE A 36 -0.990 -10.632 -2.736 1.00 0.00 O ATOM 555 CB PHE A 36 -2.373 -8.992 -0.297 1.00 0.00 C ATOM 556 CG PHE A 36 -1.720 -7.821 -1.021 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.337 -7.848 -1.256 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.449 -6.662 -1.373 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.309 -6.719 -1.781 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.791 -5.536 -1.920 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.393 -5.560 -2.099 1.00 0.00 C ATOM 0 H PHE A 36 -3.550 -10.885 0.713 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.272 -9.972 -1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.303 -8.633 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.719 -9.280 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.231 -8.739 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.518 -6.636 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.376 -6.750 -1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.358 -4.660 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.126 -4.692 -2.477 1.00 0.00 H new ATOM 571 N TRP A 37 -0.893 -11.914 -0.898 1.00 0.00 N ATOM 572 CA TRP A 37 0.284 -12.699 -1.270 1.00 0.00 C ATOM 573 C TRP A 37 -0.079 -14.107 -1.768 1.00 0.00 C ATOM 574 O TRP A 37 0.682 -15.058 -1.545 1.00 0.00 O ATOM 575 CB TRP A 37 1.297 -12.687 -0.113 1.00 0.00 C ATOM 576 CG TRP A 37 1.768 -11.322 0.283 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.620 -10.743 1.495 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.388 -10.318 -0.568 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.121 -9.457 1.453 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.580 -9.131 0.194 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.720 -10.260 -1.936 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.053 -7.946 -0.390 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.237 -9.098 -2.521 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.398 -7.942 -1.750 1.00 0.00 C ATOM 0 H TRP A 37 -1.274 -12.184 0.009 1.00 0.00 H new ATOM 0 HA TRP A 37 0.765 -12.231 -2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.845 -13.168 0.754 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.161 -13.288 -0.396 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.179 -11.213 2.361 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.148 -8.826 2.254 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.572 -11.136 -2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.150 -7.047 0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.511 -9.094 -3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.789 -7.043 -2.203 1.00 0.00 H new ATOM 595 N LYS A 38 -1.222 -14.250 -2.449 1.00 0.00 N ATOM 596 CA LYS A 38 -1.649 -15.438 -3.176 1.00 0.00 C ATOM 597 C LYS A 38 -0.807 -15.663 -4.436 1.00 0.00 C ATOM 598 O LYS A 38 0.191 -14.980 -4.674 1.00 0.00 O ATOM 599 CB LYS A 38 -3.125 -15.236 -3.560 1.00 0.00 C ATOM 600 CG LYS A 38 -4.115 -16.039 -2.711 1.00 0.00 C ATOM 601 CD LYS A 38 -5.213 -16.611 -3.611 1.00 0.00 C ATOM 602 CE LYS A 38 -6.319 -17.287 -2.814 1.00 0.00 C ATOM 603 NZ LYS A 38 -7.253 -17.983 -3.714 1.00 0.00 N ATOM 0 H LYS A 38 -1.906 -13.496 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.521 -16.318 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.368 -14.177 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.256 -15.511 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.596 -16.846 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.554 -15.401 -1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.640 -15.809 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.775 -17.331 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.886 -17.998 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.857 -16.544 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.001 -18.439 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.680 -17.297 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.739 -18.706 -4.257 1.00 0.00 H new ATOM 617 N GLU A 39 -1.231 -16.620 -5.259 1.00 0.00 N ATOM 618 CA GLU A 39 -0.527 -17.139 -6.418 1.00 0.00 C ATOM 619 C GLU A 39 -1.286 -16.990 -7.751 1.00 0.00 C ATOM 620 O GLU A 39 -1.050 -17.730 -8.716 1.00 0.00 O ATOM 621 CB GLU A 39 -0.026 -18.538 -6.088 1.00 0.00 C ATOM 622 CG GLU A 39 -1.116 -19.596 -6.072 1.00 0.00 C ATOM 623 CD GLU A 39 -1.966 -19.673 -4.806 1.00 0.00 C ATOM 624 OE1 GLU A 39 -2.842 -18.779 -4.634 1.00 0.00 O ATOM 625 OE2 GLU A 39 -1.825 -20.626 -4.019 1.00 0.00 O ATOM 0 H GLU A 39 -2.132 -17.079 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 39 0.343 -16.515 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.732 -18.823 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.461 -18.518 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.779 -19.417 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.651 -20.569 -6.231 1.00 0.00 H new ATOM 632 N GLY A 40 -2.188 -16.010 -7.811 1.00 0.00 N ATOM 633 CA GLY A 40 -2.982 -15.662 -8.991 1.00 0.00 C ATOM 634 C GLY A 40 -4.229 -14.841 -8.646 1.00 0.00 C ATOM 635 O GLY A 40 -5.186 -14.792 -9.422 1.00 0.00 O ATOM 0 H GLY A 40 -2.394 -15.414 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.362 -15.097 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.284 -16.576 -9.503 1.00 0.00 H new ATOM 639 N TYR A 41 -4.236 -14.200 -7.474 1.00 0.00 N ATOM 640 CA TYR A 41 -5.264 -13.255 -7.058 1.00 0.00 C ATOM 641 C TYR A 41 -5.230 -12.021 -7.957 1.00 0.00 C ATOM 642 O TYR A 41 -4.195 -11.714 -8.560 1.00 0.00 O ATOM 643 CB TYR A 41 -4.986 -12.870 -5.599 1.00 0.00 C ATOM 644 CG TYR A 41 -6.113 -12.185 -4.857 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.284 -10.784 -4.864 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.977 -12.990 -4.099 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.359 -10.211 -4.149 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.031 -12.424 -3.384 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.267 -11.041 -3.452 1.00 0.00 C ATOM 650 OH TYR A 41 -9.416 -10.581 -2.900 1.00 0.00 O ATOM 0 H TYR A 41 -3.506 -14.331 -6.774 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.255 -13.702 -7.142 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.717 -13.774 -5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.115 -12.214 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.598 -10.155 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.824 -14.059 -4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.487 -9.139 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.668 -13.050 -2.776 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.576 -9.661 -3.196 1.00 0.00 H new ATOM 660 N GLU A 42 -6.316 -11.252 -7.963 1.00 0.00 N ATOM 661 CA GLU A 42 -6.445 -9.958 -8.565 1.00 0.00 C ATOM 662 C GLU A 42 -7.291 -9.066 -7.646 1.00 0.00 C ATOM 663 O GLU A 42 -8.236 -9.533 -7.015 1.00 0.00 O ATOM 664 CB GLU A 42 -7.105 -10.140 -9.936 1.00 0.00 C ATOM 665 CG GLU A 42 -7.048 -8.813 -10.649 1.00 0.00 C ATOM 666 CD GLU A 42 -7.542 -8.870 -12.083 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.657 -9.390 -12.306 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.848 -8.356 -12.992 1.00 0.00 O ATOM 0 H GLU A 42 -7.180 -11.551 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.475 -9.479 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.587 -10.907 -10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.138 -10.470 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.645 -8.088 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.020 -8.451 -10.642 1.00 0.00 H new ATOM 675 N ILE A 43 -6.947 -7.781 -7.612 1.00 0.00 N ATOM 676 CA ILE A 43 -7.465 -6.712 -6.780 1.00 0.00 C ATOM 677 C ILE A 43 -8.182 -5.760 -7.739 1.00 0.00 C ATOM 678 O ILE A 43 -7.518 -5.167 -8.595 1.00 0.00 O ATOM 679 CB ILE A 43 -6.261 -6.011 -6.101 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.460 -6.987 -5.220 1.00 0.00 C ATOM 681 CG2 ILE A 43 -6.722 -4.786 -5.297 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.212 -6.381 -4.574 1.00 0.00 C ATOM 0 H ILE A 43 -6.220 -7.432 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.145 -7.057 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.593 -5.665 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.113 -7.366 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.161 -7.842 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.859 -4.311 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.210 -4.076 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.425 -5.101 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.710 -7.138 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.535 -6.028 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.501 -5.545 -3.938 1.00 0.00 H new ATOM 694 N LYS A 44 -9.509 -5.618 -7.646 1.00 0.00 N ATOM 695 CA LYS A 44 -10.253 -4.648 -8.453 1.00 0.00 C ATOM 696 C LYS A 44 -11.347 -3.897 -7.677 1.00 0.00 C ATOM 697 O LYS A 44 -12.037 -3.075 -8.283 1.00 0.00 O ATOM 698 CB LYS A 44 -10.801 -5.326 -9.727 1.00 0.00 C ATOM 699 CG LYS A 44 -9.684 -5.570 -10.758 1.00 0.00 C ATOM 700 CD LYS A 44 -10.180 -5.942 -12.158 1.00 0.00 C ATOM 701 CE LYS A 44 -10.800 -7.340 -12.180 1.00 0.00 C ATOM 702 NZ LYS A 44 -10.999 -7.814 -13.566 1.00 0.00 N ATOM 0 H LYS A 44 -10.092 -6.168 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.545 -3.872 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.269 -6.275 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.576 -4.700 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.072 -4.671 -10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.037 -6.367 -10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.917 -5.211 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.349 -5.900 -12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.154 -8.036 -11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.756 -7.325 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.421 -8.765 -13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.634 -7.161 -14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.082 -7.850 -14.056 1.00 0.00 H new ATOM 716 N ASN A 45 -11.560 -4.143 -6.382 1.00 0.00 N ATOM 717 CA ASN A 45 -12.519 -3.378 -5.583 1.00 0.00 C ATOM 718 C ASN A 45 -11.952 -1.989 -5.318 1.00 0.00 C ATOM 719 O ASN A 45 -10.893 -1.848 -4.708 1.00 0.00 O ATOM 720 CB ASN A 45 -12.873 -4.074 -4.255 1.00 0.00 C ATOM 721 CG ASN A 45 -14.165 -3.508 -3.667 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.643 -2.460 -4.101 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.745 -4.157 -2.676 1.00 0.00 N ATOM 0 H ASN A 45 -11.076 -4.874 -5.861 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.446 -3.305 -6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.983 -5.146 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.058 -3.944 -3.543 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.601 -3.792 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.337 -5.024 -2.327 1.00 0.00 H new ATOM 730 N ARG A 46 -12.677 -0.939 -5.708 1.00 0.00 N ATOM 731 CA ARG A 46 -12.376 0.428 -5.311 1.00 0.00 C ATOM 732 C ARG A 46 -12.298 0.552 -3.792 1.00 0.00 C ATOM 733 O ARG A 46 -11.544 1.392 -3.298 1.00 0.00 O ATOM 734 CB ARG A 46 -13.489 1.317 -5.883 1.00 0.00 C ATOM 735 CG ARG A 46 -13.544 2.703 -5.239 1.00 0.00 C ATOM 736 CD ARG A 46 -14.448 3.707 -5.951 1.00 0.00 C ATOM 737 NE ARG A 46 -15.756 3.159 -6.290 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.815 3.861 -6.689 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.724 5.154 -6.970 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.979 3.253 -6.824 1.00 0.00 N ATOM 0 H ARG A 46 -13.495 -1.019 -6.313 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.404 0.736 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.340 1.428 -6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.449 0.820 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.885 2.596 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.534 3.110 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.581 4.582 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.956 4.047 -6.862 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.870 2.148 -6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.828 5.633 -6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.550 5.669 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.060 2.256 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.797 3.780 -7.129 1.00 0.00 H new ATOM 754 N GLU A 47 -13.061 -0.261 -3.057 1.00 0.00 N ATOM 755 CA GLU A 47 -13.089 -0.168 -1.602 1.00 0.00 C ATOM 756 C GLU A 47 -11.705 -0.486 -1.034 1.00 0.00 C ATOM 757 O GLU A 47 -11.311 0.138 -0.047 1.00 0.00 O ATOM 758 CB GLU A 47 -14.162 -1.083 -0.985 1.00 0.00 C ATOM 759 CG GLU A 47 -15.574 -0.719 -1.472 1.00 0.00 C ATOM 760 CD GLU A 47 -16.696 -1.522 -0.810 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.604 -2.771 -0.706 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.694 -0.873 -0.412 1.00 0.00 O ATOM 0 H GLU A 47 -13.663 -0.986 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.357 0.854 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.946 -2.120 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.122 -1.008 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.746 0.342 -1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.623 -0.869 -2.550 1.00 0.00 H new ATOM 769 N THR A 48 -10.935 -1.392 -1.659 1.00 0.00 N ATOM 770 CA THR A 48 -9.590 -1.671 -1.179 1.00 0.00 C ATOM 771 C THR A 48 -8.678 -0.485 -1.498 1.00 0.00 C ATOM 772 O THR A 48 -7.883 -0.077 -0.657 1.00 0.00 O ATOM 773 CB THR A 48 -9.020 -3.010 -1.668 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.703 -3.068 -3.038 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.934 -4.184 -1.355 1.00 0.00 C ATOM 0 H THR A 48 -11.220 -1.928 -2.479 1.00 0.00 H new ATOM 0 HA THR A 48 -9.644 -1.791 -0.097 1.00 0.00 H new ATOM 0 HB THR A 48 -8.088 -3.083 -1.108 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.430 -2.667 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.482 -5.105 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.078 -4.256 -0.277 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.898 -4.034 -1.841 1.00 0.00 H new ATOM 783 N GLY A 49 -8.844 0.128 -2.671 1.00 0.00 N ATOM 784 CA GLY A 49 -8.123 1.321 -3.078 1.00 0.00 C ATOM 785 C GLY A 49 -8.260 2.459 -2.072 1.00 0.00 C ATOM 786 O GLY A 49 -7.256 3.041 -1.651 1.00 0.00 O ATOM 0 H GLY A 49 -9.501 -0.204 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.068 1.078 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.493 1.652 -4.048 1.00 0.00 H new ATOM 790 N CYS A 50 -9.494 2.774 -1.667 1.00 0.00 N ATOM 791 CA CYS A 50 -9.707 3.797 -0.652 1.00 0.00 C ATOM 792 C CYS A 50 -9.213 3.349 0.724 1.00 0.00 C ATOM 793 O CYS A 50 -8.718 4.183 1.480 1.00 0.00 O ATOM 794 CB CYS A 50 -11.168 4.258 -0.609 1.00 0.00 C ATOM 795 SG CYS A 50 -11.280 6.013 -1.037 1.00 0.00 S ATOM 0 H CYS A 50 -10.346 2.340 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.106 4.660 -0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.764 3.667 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.581 4.091 0.386 1.00 0.00 H new ATOM 800 N ALA A 51 -9.293 2.054 1.051 1.00 0.00 N ATOM 801 CA ALA A 51 -8.727 1.542 2.291 1.00 0.00 C ATOM 802 C ALA A 51 -7.234 1.849 2.343 1.00 0.00 C ATOM 803 O ALA A 51 -6.779 2.450 3.315 1.00 0.00 O ATOM 804 CB ALA A 51 -8.990 0.042 2.449 1.00 0.00 C ATOM 0 H ALA A 51 -9.745 1.347 0.471 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.217 2.041 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.554 -0.307 3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.065 -0.140 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.539 -0.496 1.615 1.00 0.00 H new ATOM 810 N ILE A 52 -6.492 1.472 1.301 1.00 0.00 N ATOM 811 CA ILE A 52 -5.059 1.697 1.147 1.00 0.00 C ATOM 812 C ILE A 52 -4.759 3.187 1.361 1.00 0.00 C ATOM 813 O ILE A 52 -3.903 3.517 2.178 1.00 0.00 O ATOM 814 CB ILE A 52 -4.599 1.135 -0.226 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.703 -0.411 -0.237 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.166 1.544 -0.603 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.646 -1.046 -1.630 1.00 0.00 C ATOM 0 H ILE A 52 -6.896 0.978 0.505 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.481 1.161 1.900 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.268 1.570 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.894 -0.820 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.638 -0.702 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.909 1.118 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.100 2.631 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.472 1.174 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.726 -2.129 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.471 -0.671 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.700 -0.791 -2.108 1.00 0.00 H new ATOM 829 N MET A 53 -5.486 4.092 0.703 1.00 0.00 N ATOM 830 CA MET A 53 -5.255 5.527 0.837 1.00 0.00 C ATOM 831 C MET A 53 -5.478 6.027 2.270 1.00 0.00 C ATOM 832 O MET A 53 -4.676 6.803 2.795 1.00 0.00 O ATOM 833 CB MET A 53 -6.166 6.262 -0.145 1.00 0.00 C ATOM 834 CG MET A 53 -5.757 7.729 -0.256 1.00 0.00 C ATOM 835 SD MET A 53 -6.461 8.566 -1.693 1.00 0.00 S ATOM 836 CE MET A 53 -8.218 8.257 -1.384 1.00 0.00 C ATOM 0 H MET A 53 -6.246 3.851 0.067 1.00 0.00 H new ATOM 0 HA MET A 53 -4.210 5.732 0.605 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.112 5.788 -1.125 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.202 6.191 0.187 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.066 8.254 0.648 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.670 7.792 -0.305 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.817 8.986 -1.930 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.475 7.252 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.421 8.347 -0.317 1.00 0.00 H new ATOM 846 N CYS A 54 -6.545 5.570 2.930 1.00 0.00 N ATOM 847 CA CYS A 54 -6.824 5.958 4.305 1.00 0.00 C ATOM 848 C CYS A 54 -5.742 5.426 5.245 1.00 0.00 C ATOM 849 O CYS A 54 -5.315 6.145 6.148 1.00 0.00 O ATOM 850 CB CYS A 54 -8.225 5.495 4.706 1.00 0.00 C ATOM 851 SG CYS A 54 -8.823 6.175 6.272 1.00 0.00 S ATOM 0 H CYS A 54 -7.229 4.929 2.528 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.804 7.045 4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.924 5.769 3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.229 4.407 4.772 1.00 0.00 H new ATOM 856 N LEU A 55 -5.237 4.206 5.010 1.00 0.00 N ATOM 857 CA LEU A 55 -4.068 3.708 5.728 1.00 0.00 C ATOM 858 C LEU A 55 -2.926 4.695 5.486 1.00 0.00 C ATOM 859 O LEU A 55 -2.399 5.235 6.449 1.00 0.00 O ATOM 860 CB LEU A 55 -3.683 2.268 5.320 1.00 0.00 C ATOM 861 CG LEU A 55 -4.734 1.183 5.635 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.348 -0.158 5.020 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.991 0.983 7.127 1.00 0.00 C ATOM 0 H LEU A 55 -5.623 3.552 4.329 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.295 3.644 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.482 2.254 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.752 2.004 5.822 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.657 1.553 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.109 -0.901 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.272 -0.053 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.387 -0.480 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.741 0.205 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.065 0.686 7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.351 1.915 7.562 1.00 0.00 H new ATOM 875 N SER A 56 -2.594 5.020 4.231 1.00 0.00 N ATOM 876 CA SER A 56 -1.544 5.983 3.895 1.00 0.00 C ATOM 877 C SER A 56 -1.679 7.288 4.685 1.00 0.00 C ATOM 878 O SER A 56 -0.672 7.787 5.190 1.00 0.00 O ATOM 879 CB SER A 56 -1.517 6.271 2.385 1.00 0.00 C ATOM 880 OG SER A 56 -0.169 6.371 1.955 1.00 0.00 O ATOM 0 H SER A 56 -3.052 4.617 3.414 1.00 0.00 H new ATOM 0 HA SER A 56 -0.597 5.524 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.027 5.476 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.050 7.197 2.169 1.00 0.00 H new ATOM 0 HG SER A 56 -0.145 6.553 0.992 1.00 0.00 H new ATOM 886 N THR A 57 -2.898 7.821 4.842 1.00 0.00 N ATOM 887 CA THR A 57 -3.114 9.029 5.628 1.00 0.00 C ATOM 888 C THR A 57 -2.556 8.771 7.041 1.00 0.00 C ATOM 889 O THR A 57 -1.606 9.412 7.485 1.00 0.00 O ATOM 890 CB THR A 57 -4.620 9.361 5.755 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.227 9.696 4.524 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.809 10.499 6.758 1.00 0.00 C ATOM 0 H THR A 57 -3.746 7.430 4.432 1.00 0.00 H new ATOM 0 HA THR A 57 -2.618 9.866 5.136 1.00 0.00 H new ATOM 0 HB THR A 57 -5.116 8.456 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.176 9.893 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.870 10.733 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.421 10.195 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.271 11.382 6.412 1.00 0.00 H new ATOM 900 N LYS A 58 -3.170 7.807 7.741 1.00 0.00 N ATOM 901 CA LYS A 58 -2.961 7.487 9.152 1.00 0.00 C ATOM 902 C LYS A 58 -1.540 7.014 9.451 1.00 0.00 C ATOM 903 O LYS A 58 -1.123 7.007 10.609 1.00 0.00 O ATOM 904 CB LYS A 58 -3.979 6.449 9.568 1.00 0.00 C ATOM 905 CG LYS A 58 -5.395 7.049 9.518 1.00 0.00 C ATOM 906 CD LYS A 58 -6.164 6.586 10.748 1.00 0.00 C ATOM 907 CE LYS A 58 -7.622 7.039 10.680 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.864 8.441 11.078 1.00 0.00 N ATOM 0 H LYS A 58 -3.865 7.197 7.309 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.095 8.400 9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.919 5.584 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.760 6.097 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.344 8.137 9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.908 6.732 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.119 5.499 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.696 6.987 11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.982 6.900 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.218 6.388 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.798 8.743 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.834 8.518 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.130 9.051 10.665 1.00 0.00 H new ATOM 922 N LEU A 59 -0.788 6.591 8.434 1.00 0.00 N ATOM 923 CA LEU A 59 0.616 6.205 8.545 1.00 0.00 C ATOM 924 C LEU A 59 1.532 7.421 8.441 1.00 0.00 C ATOM 925 O LEU A 59 2.752 7.254 8.342 1.00 0.00 O ATOM 926 CB LEU A 59 0.978 5.162 7.477 1.00 0.00 C ATOM 927 CG LEU A 59 0.175 3.847 7.652 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.304 2.954 6.414 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.491 3.108 8.963 1.00 0.00 C ATOM 0 H LEU A 59 -1.151 6.506 7.484 1.00 0.00 H new ATOM 0 HA LEU A 59 0.763 5.757 9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.785 5.575 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.045 4.945 7.530 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.875 4.127 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.269 2.039 6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.080 3.483 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.353 2.703 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.105 2.197 9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.550 2.850 8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.253 3.752 9.810 1.00 0.00 H new ATOM 941 N ASN A 60 0.962 8.629 8.433 1.00 0.00 N ATOM 942 CA ASN A 60 1.636 9.891 8.187 1.00 0.00 C ATOM 943 C ASN A 60 2.394 9.850 6.856 1.00 0.00 C ATOM 944 O ASN A 60 3.501 10.369 6.755 1.00 0.00 O ATOM 945 CB ASN A 60 2.524 10.260 9.391 1.00 0.00 C ATOM 946 CG ASN A 60 2.802 11.753 9.486 1.00 0.00 C ATOM 947 OD1 ASN A 60 2.123 12.585 8.894 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.754 12.121 10.322 1.00 0.00 N ATOM 0 H ASN A 60 -0.035 8.751 8.608 1.00 0.00 H new ATOM 0 HA ASN A 60 0.899 10.688 8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.040 9.927 10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.470 9.723 9.316 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.935 13.112 10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.309 11.415 10.806 1.00 0.00 H new ATOM 955 N MET A 61 1.850 9.150 5.848 1.00 0.00 N ATOM 956 CA MET A 61 2.482 9.039 4.530 1.00 0.00 C ATOM 957 C MET A 61 1.932 10.072 3.551 1.00 0.00 C ATOM 958 O MET A 61 2.385 10.106 2.409 1.00 0.00 O ATOM 959 CB MET A 61 2.387 7.606 3.947 1.00 0.00 C ATOM 960 CG MET A 61 3.628 6.782 4.303 1.00 0.00 C ATOM 961 SD MET A 61 4.096 5.485 3.126 1.00 0.00 S ATOM 962 CE MET A 61 3.057 4.127 3.722 1.00 0.00 C ATOM 0 H MET A 61 0.965 8.649 5.926 1.00 0.00 H new ATOM 0 HA MET A 61 3.541 9.252 4.677 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.496 7.112 4.333 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.279 7.657 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.471 7.464 4.414 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.463 6.318 5.276 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.708 3.537 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.637 3.492 4.392 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.200 4.533 4.259 1.00 0.00 H new ATOM 972 N LEU A 62 0.981 10.907 3.955 1.00 0.00 N ATOM 973 CA LEU A 62 0.349 11.876 3.083 1.00 0.00 C ATOM 974 C LEU A 62 0.833 13.241 3.523 1.00 0.00 C ATOM 975 O LEU A 62 0.521 13.700 4.625 1.00 0.00 O ATOM 976 CB LEU A 62 -1.173 11.705 3.127 1.00 0.00 C ATOM 977 CG LEU A 62 -1.710 10.687 2.107 1.00 0.00 C ATOM 978 CD1 LEU A 62 -0.859 9.457 1.827 1.00 0.00 C ATOM 979 CD2 LEU A 62 -3.176 10.363 2.307 1.00 0.00 C ATOM 0 H LEU A 62 0.626 10.926 4.911 1.00 0.00 H new ATOM 0 HA LEU A 62 0.619 11.738 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.466 11.391 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.644 12.671 2.945 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.619 11.239 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.359 8.829 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.112 9.767 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.719 8.894 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.494 9.640 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.323 9.943 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.767 11.274 2.207 1.00 0.00 H new ATOM 1053 N LEU A 68 1.827 11.714 -1.487 1.00 0.00 N ATOM 1054 CA LEU A 68 3.038 11.072 -0.937 1.00 0.00 C ATOM 1055 C LEU A 68 3.998 12.058 -0.259 1.00 0.00 C ATOM 1056 O LEU A 68 4.223 13.163 -0.741 1.00 0.00 O ATOM 1057 CB LEU A 68 3.760 10.213 -2.001 1.00 0.00 C ATOM 1058 CG LEU A 68 4.783 9.202 -1.435 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.090 7.955 -0.863 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.751 8.757 -2.537 1.00 0.00 C ATOM 0 HA LEU A 68 2.690 10.406 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.012 9.667 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.274 10.877 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 68 5.324 9.705 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.841 7.267 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.417 8.250 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.520 7.462 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.467 8.045 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.191 8.284 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.284 9.625 -2.925 1.00 0.00 H new ATOM 1072 N HIS A 69 4.589 11.653 0.866 1.00 0.00 N ATOM 1073 CA HIS A 69 5.590 12.393 1.623 1.00 0.00 C ATOM 1074 C HIS A 69 6.893 11.599 1.595 1.00 0.00 C ATOM 1075 O HIS A 69 7.103 10.744 2.455 1.00 0.00 O ATOM 1076 CB HIS A 69 5.096 12.605 3.065 1.00 0.00 C ATOM 1077 CG HIS A 69 5.996 13.488 3.890 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.292 13.195 4.234 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.663 14.663 4.507 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.705 14.124 5.110 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.746 15.047 5.304 1.00 0.00 N ATOM 0 H HIS A 69 4.368 10.753 1.293 1.00 0.00 H new ATOM 0 HA HIS A 69 5.760 13.375 1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.098 13.043 3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.005 11.635 3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.731 15.198 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.672 14.130 5.592 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.798 15.865 5.912 1.00 0.00 H new ATOM 1089 N HIS A 70 7.785 11.886 0.641 1.00 0.00 N ATOM 1090 CA HIS A 70 8.999 11.101 0.397 1.00 0.00 C ATOM 1091 C HIS A 70 9.776 10.787 1.676 1.00 0.00 C ATOM 1092 O HIS A 70 10.211 9.650 1.849 1.00 0.00 O ATOM 1093 CB HIS A 70 9.908 11.817 -0.605 1.00 0.00 C ATOM 1094 CG HIS A 70 9.198 12.169 -1.880 1.00 0.00 C ATOM 1095 ND1 HIS A 70 8.655 13.396 -2.184 1.00 0.00 N ATOM 1096 CD2 HIS A 70 8.912 11.313 -2.908 1.00 0.00 C ATOM 1097 CE1 HIS A 70 8.073 13.285 -3.387 1.00 0.00 C ATOM 1098 NE2 HIS A 70 8.221 12.042 -3.872 1.00 0.00 N ATOM 0 H HIS A 70 7.683 12.680 0.009 1.00 0.00 H new ATOM 0 HA HIS A 70 8.672 10.148 -0.019 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.300 12.726 -0.149 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.763 11.181 -0.833 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.689 14.234 -1.603 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.174 10.267 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.556 14.085 -3.896 1.00 0.00 H new ATOM 1106 N GLY A 71 9.890 11.761 2.590 1.00 0.00 N ATOM 1107 CA GLY A 71 10.412 11.572 3.934 1.00 0.00 C ATOM 1108 C GLY A 71 9.766 10.377 4.630 1.00 0.00 C ATOM 1109 O GLY A 71 10.402 9.335 4.724 1.00 0.00 O ATOM 0 H GLY A 71 9.612 12.724 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.491 11.426 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.237 12.473 4.522 1.00 0.00 H new ATOM 1113 N ASN A 72 8.521 10.501 5.114 1.00 0.00 N ATOM 1114 CA ASN A 72 7.829 9.438 5.846 1.00 0.00 C ATOM 1115 C ASN A 72 7.710 8.135 5.066 1.00 0.00 C ATOM 1116 O ASN A 72 7.749 7.085 5.700 1.00 0.00 O ATOM 1117 CB ASN A 72 6.451 9.877 6.357 1.00 0.00 C ATOM 1118 CG ASN A 72 6.556 10.341 7.802 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.156 11.378 8.064 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.082 9.586 8.777 1.00 0.00 N ATOM 0 H ASN A 72 7.965 11.349 5.006 1.00 0.00 H new ATOM 0 HA ASN A 72 8.468 9.239 6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.063 10.683 5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.746 9.049 6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.215 9.865 9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.583 8.724 8.558 1.00 0.00 H new ATOM 1127 N ALA A 73 7.580 8.163 3.737 1.00 0.00 N ATOM 1128 CA ALA A 73 7.678 6.967 2.907 1.00 0.00 C ATOM 1129 C ALA A 73 9.011 6.242 3.140 1.00 0.00 C ATOM 1130 O ALA A 73 9.022 5.040 3.420 1.00 0.00 O ATOM 1131 CB ALA A 73 7.533 7.329 1.423 1.00 0.00 C ATOM 0 H ALA A 73 7.404 9.018 3.209 1.00 0.00 H new ATOM 0 HA ALA A 73 6.866 6.297 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.609 6.425 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.563 7.797 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.324 8.023 1.139 1.00 0.00 H new ATOM 1137 N MET A 74 10.135 6.941 2.963 1.00 0.00 N ATOM 1138 CA MET A 74 11.475 6.382 3.074 1.00 0.00 C ATOM 1139 C MET A 74 11.733 5.949 4.516 1.00 0.00 C ATOM 1140 O MET A 74 12.303 4.883 4.754 1.00 0.00 O ATOM 1141 CB MET A 74 12.483 7.440 2.601 1.00 0.00 C ATOM 1142 CG MET A 74 13.912 6.895 2.547 1.00 0.00 C ATOM 1143 SD MET A 74 14.749 7.141 0.963 1.00 0.00 S ATOM 1144 CE MET A 74 13.979 5.808 0.010 1.00 0.00 C ATOM 0 H MET A 74 10.133 7.935 2.733 1.00 0.00 H new ATOM 0 HA MET A 74 11.582 5.497 2.446 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.195 7.797 1.612 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.448 8.298 3.273 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.499 7.372 3.332 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.889 5.828 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 74 13.641 6.196 -0.951 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.705 5.012 -0.155 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.126 5.412 0.562 1.00 0.00 H new ATOM 1154 N GLU A 75 11.257 6.753 5.467 1.00 0.00 N ATOM 1155 CA GLU A 75 11.294 6.498 6.885 1.00 0.00 C ATOM 1156 C GLU A 75 10.625 5.177 7.184 1.00 0.00 C ATOM 1157 O GLU A 75 11.289 4.321 7.740 1.00 0.00 O ATOM 1158 CB GLU A 75 10.572 7.640 7.608 1.00 0.00 C ATOM 1159 CG GLU A 75 11.451 8.310 8.644 1.00 0.00 C ATOM 1160 CD GLU A 75 11.637 7.467 9.901 1.00 0.00 C ATOM 1161 OE1 GLU A 75 10.656 6.926 10.445 1.00 0.00 O ATOM 1162 OE2 GLU A 75 12.783 7.436 10.410 1.00 0.00 O ATOM 0 H GLU A 75 10.814 7.644 5.244 1.00 0.00 H new ATOM 0 HA GLU A 75 12.327 6.446 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.245 8.381 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.675 7.252 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.427 8.518 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.013 9.270 8.918 1.00 0.00 H new ATOM 1169 N PHE A 76 9.359 4.987 6.796 1.00 0.00 N ATOM 1170 CA PHE A 76 8.575 3.800 7.116 1.00 0.00 C ATOM 1171 C PHE A 76 9.391 2.551 6.785 1.00 0.00 C ATOM 1172 O PHE A 76 9.508 1.652 7.619 1.00 0.00 O ATOM 1173 CB PHE A 76 7.260 3.834 6.317 1.00 0.00 C ATOM 1174 CG PHE A 76 6.137 2.944 6.823 1.00 0.00 C ATOM 1175 CD1 PHE A 76 6.324 1.565 7.019 1.00 0.00 C ATOM 1176 CD2 PHE A 76 4.863 3.484 7.050 1.00 0.00 C ATOM 1177 CE1 PHE A 76 5.270 0.728 7.424 1.00 0.00 C ATOM 1178 CE2 PHE A 76 3.821 2.649 7.476 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.008 1.275 7.666 1.00 0.00 C ATOM 0 H PHE A 76 8.845 5.671 6.240 1.00 0.00 H new ATOM 0 HA PHE A 76 8.333 3.779 8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.899 4.862 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.479 3.554 5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.302 1.138 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.686 4.538 6.897 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.435 -0.332 7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.847 3.077 7.663 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.191 0.649 7.994 1.00 0.00 H new ATOM 1189 N ALA A 77 9.975 2.515 5.588 1.00 0.00 N ATOM 1190 CA ALA A 77 10.850 1.449 5.152 1.00 0.00 C ATOM 1191 C ALA A 77 11.994 1.264 6.164 1.00 0.00 C ATOM 1192 O ALA A 77 12.073 0.248 6.862 1.00 0.00 O ATOM 1193 CB ALA A 77 11.308 1.765 3.722 1.00 0.00 C ATOM 0 H ALA A 77 9.845 3.244 4.887 1.00 0.00 H new ATOM 0 HA ALA A 77 10.339 0.487 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.970 0.975 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.439 1.829 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.841 2.716 3.712 1.00 0.00 H new ATOM 1199 N LYS A 78 12.893 2.245 6.246 1.00 0.00 N ATOM 1200 CA LYS A 78 14.149 2.177 6.995 1.00 0.00 C ATOM 1201 C LYS A 78 13.954 2.108 8.513 1.00 0.00 C ATOM 1202 O LYS A 78 14.846 1.669 9.237 1.00 0.00 O ATOM 1203 CB LYS A 78 14.983 3.377 6.523 1.00 0.00 C ATOM 1204 CG LYS A 78 15.677 2.977 5.200 1.00 0.00 C ATOM 1205 CD LYS A 78 15.824 4.119 4.195 1.00 0.00 C ATOM 1206 CE LYS A 78 17.133 4.896 4.314 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.101 5.944 5.347 1.00 0.00 N ATOM 0 H LYS A 78 12.762 3.141 5.776 1.00 0.00 H new ATOM 0 HA LYS A 78 14.676 1.245 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.347 4.249 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.723 3.648 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.666 2.580 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.109 2.171 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.747 3.712 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.991 4.811 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.941 4.200 4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.364 5.352 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.019 6.432 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.351 6.629 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.910 5.512 6.274 1.00 0.00 H new ATOM 1221 N LYS A 79 12.769 2.454 8.989 1.00 0.00 N ATOM 1222 CA LYS A 79 12.240 2.254 10.323 1.00 0.00 C ATOM 1223 C LYS A 79 12.046 0.768 10.583 1.00 0.00 C ATOM 1224 O LYS A 79 12.620 0.243 11.536 1.00 0.00 O ATOM 1225 CB LYS A 79 10.934 3.051 10.390 1.00 0.00 C ATOM 1226 CG LYS A 79 10.041 2.795 11.593 1.00 0.00 C ATOM 1227 CD LYS A 79 8.741 3.589 11.400 1.00 0.00 C ATOM 1228 CE LYS A 79 8.230 4.205 12.693 1.00 0.00 C ATOM 1229 NZ LYS A 79 8.203 3.262 13.835 1.00 0.00 N ATOM 0 H LYS A 79 12.091 2.927 8.392 1.00 0.00 H new ATOM 0 HA LYS A 79 12.918 2.605 11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.181 4.112 10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.359 2.840 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.826 1.731 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.542 3.102 12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.908 4.379 10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.976 2.930 10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.859 5.057 12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.224 4.590 12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.620 3.659 14.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.799 2.355 13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.171 3.110 14.182 1.00 0.00 H new ATOM 1243 N HIS A 80 11.243 0.085 9.761 1.00 0.00 N ATOM 1244 CA HIS A 80 10.833 -1.286 10.038 1.00 0.00 C ATOM 1245 C HIS A 80 11.955 -2.308 9.830 1.00 0.00 C ATOM 1246 O HIS A 80 11.780 -3.441 10.277 1.00 0.00 O ATOM 1247 CB HIS A 80 9.634 -1.674 9.171 1.00 0.00 C ATOM 1248 CG HIS A 80 8.363 -1.004 9.615 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.103 0.340 9.568 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.273 -1.615 10.166 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.893 0.540 10.103 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.335 -0.624 10.461 1.00 0.00 N ATOM 0 H HIS A 80 10.865 0.467 8.894 1.00 0.00 H new ATOM 0 HA HIS A 80 10.561 -1.309 11.093 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.838 -1.408 8.134 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.501 -2.755 9.203 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.721 1.059 9.192 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.157 -2.674 10.342 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.430 1.507 10.229 1.00 0.00 H new ATOM 1260 N GLY A 81 13.053 -1.939 9.159 1.00 0.00 N ATOM 1261 CA GLY A 81 14.194 -2.813 8.879 1.00 0.00 C ATOM 1262 C GLY A 81 14.688 -2.732 7.433 1.00 0.00 C ATOM 1263 O GLY A 81 15.506 -3.559 7.026 1.00 0.00 O ATOM 0 H GLY A 81 13.174 -0.997 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.013 -2.553 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.915 -3.843 9.102 1.00 0.00 H new ATOM 1267 N ALA A 82 14.142 -1.829 6.609 1.00 0.00 N ATOM 1268 CA ALA A 82 14.371 -1.897 5.176 1.00 0.00 C ATOM 1269 C ALA A 82 15.720 -1.311 4.806 1.00 0.00 C ATOM 1270 O ALA A 82 16.176 -0.324 5.392 1.00 0.00 O ATOM 1271 CB ALA A 82 13.294 -1.135 4.418 1.00 0.00 C ATOM 0 H ALA A 82 13.548 -1.057 6.912 1.00 0.00 H new ATOM 0 HA ALA A 82 14.344 -2.951 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.487 -1.201 3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.318 -1.569 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.304 -0.089 4.725 1.00 0.00 H new ATOM 1277 N ASP A 83 16.287 -1.887 3.757 1.00 0.00 N ATOM 1278 CA ASP A 83 17.506 -1.431 3.124 1.00 0.00 C ATOM 1279 C ASP A 83 17.244 -0.130 2.372 1.00 0.00 C ATOM 1280 O ASP A 83 16.098 0.217 2.074 1.00 0.00 O ATOM 1281 CB ASP A 83 18.074 -2.449 2.109 1.00 0.00 C ATOM 1282 CG ASP A 83 17.606 -3.913 2.149 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.198 -4.438 3.210 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.600 -4.544 1.068 1.00 0.00 O ATOM 0 H ASP A 83 15.893 -2.715 3.310 1.00 0.00 H new ATOM 0 HA ASP A 83 18.233 -1.295 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.860 -2.067 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.158 -2.451 2.223 1.00 0.00 H new ATOM 1289 N GLU A 84 18.315 0.566 1.996 1.00 0.00 N ATOM 1290 CA GLU A 84 18.229 1.843 1.322 1.00 0.00 C ATOM 1291 C GLU A 84 17.723 1.670 -0.106 1.00 0.00 C ATOM 1292 O GLU A 84 16.749 2.314 -0.480 1.00 0.00 O ATOM 1293 CB GLU A 84 19.592 2.549 1.368 1.00 0.00 C ATOM 1294 CG GLU A 84 19.405 3.990 1.873 1.00 0.00 C ATOM 1295 CD GLU A 84 20.351 5.018 1.259 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.586 4.812 1.273 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.849 6.105 0.877 1.00 0.00 O ATOM 0 H GLU A 84 19.271 0.250 2.156 1.00 0.00 H new ATOM 0 HA GLU A 84 17.506 2.473 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.272 2.007 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.044 2.555 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.379 4.298 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.536 3.999 2.955 1.00 0.00 H new ATOM 1304 N THR A 85 18.324 0.772 -0.892 1.00 0.00 N ATOM 1305 CA THR A 85 17.897 0.499 -2.263 1.00 0.00 C ATOM 1306 C THR A 85 16.453 -0.004 -2.273 1.00 0.00 C ATOM 1307 O THR A 85 15.650 0.428 -3.096 1.00 0.00 O ATOM 1308 CB THR A 85 18.843 -0.541 -2.873 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.183 -0.141 -2.668 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.600 -0.760 -4.365 1.00 0.00 C ATOM 0 H THR A 85 19.123 0.213 -0.592 1.00 0.00 H new ATOM 0 HA THR A 85 17.936 1.412 -2.857 1.00 0.00 H new ATOM 0 HB THR A 85 18.644 -1.488 -2.371 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.787 -0.808 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.299 -1.507 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.579 -1.108 -4.520 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.749 0.178 -4.899 1.00 0.00 H new ATOM 1318 N MET A 86 16.103 -0.879 -1.328 1.00 0.00 N ATOM 1319 CA MET A 86 14.752 -1.391 -1.163 1.00 0.00 C ATOM 1320 C MET A 86 13.784 -0.235 -0.911 1.00 0.00 C ATOM 1321 O MET A 86 12.693 -0.205 -1.475 1.00 0.00 O ATOM 1322 CB MET A 86 14.764 -2.423 -0.020 1.00 0.00 C ATOM 1323 CG MET A 86 13.464 -2.469 0.776 1.00 0.00 C ATOM 1324 SD MET A 86 13.297 -3.918 1.855 1.00 0.00 S ATOM 1325 CE MET A 86 11.574 -3.677 2.341 1.00 0.00 C ATOM 0 H MET A 86 16.765 -1.254 -0.648 1.00 0.00 H new ATOM 0 HA MET A 86 14.406 -1.891 -2.068 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.960 -3.411 -0.436 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.587 -2.193 0.657 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.393 -1.568 1.385 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.625 -2.451 0.080 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.201 -4.582 2.821 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.506 -2.842 3.038 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.973 -3.462 1.457 1.00 0.00 H new ATOM 1335 N ALA A 87 14.148 0.704 -0.041 1.00 0.00 N ATOM 1336 CA ALA A 87 13.335 1.871 0.245 1.00 0.00 C ATOM 1337 C ALA A 87 13.248 2.801 -0.958 1.00 0.00 C ATOM 1338 O ALA A 87 12.174 3.345 -1.196 1.00 0.00 O ATOM 1339 CB ALA A 87 13.879 2.530 1.501 1.00 0.00 C ATOM 0 H ALA A 87 15.021 0.671 0.485 1.00 0.00 H new ATOM 0 HA ALA A 87 12.301 1.583 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.283 3.412 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.830 1.826 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.915 2.826 1.337 1.00 0.00 H new ATOM 1345 N GLN A 88 14.326 2.957 -1.724 1.00 0.00 N ATOM 1346 CA GLN A 88 14.324 3.703 -2.968 1.00 0.00 C ATOM 1347 C GLN A 88 13.287 3.077 -3.896 1.00 0.00 C ATOM 1348 O GLN A 88 12.354 3.760 -4.297 1.00 0.00 O ATOM 1349 CB GLN A 88 15.747 3.740 -3.559 1.00 0.00 C ATOM 1350 CG GLN A 88 15.980 4.940 -4.481 1.00 0.00 C ATOM 1351 CD GLN A 88 15.001 5.000 -5.642 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.034 4.175 -6.551 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.098 5.962 -5.615 1.00 0.00 N ATOM 0 H GLN A 88 15.236 2.560 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 88 14.041 4.744 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.472 3.768 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.927 2.820 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.901 5.858 -3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.996 4.898 -4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.092 6.635 -4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.406 6.033 -6.361 1.00 0.00 H new ATOM 1362 N GLN A 89 13.391 1.778 -4.167 1.00 0.00 N ATOM 1363 CA GLN A 89 12.452 1.000 -4.957 1.00 0.00 C ATOM 1364 C GLN A 89 11.013 1.180 -4.451 1.00 0.00 C ATOM 1365 O GLN A 89 10.105 1.416 -5.247 1.00 0.00 O ATOM 1366 CB GLN A 89 12.905 -0.469 -4.877 1.00 0.00 C ATOM 1367 CG GLN A 89 14.000 -0.807 -5.892 1.00 0.00 C ATOM 1368 CD GLN A 89 14.526 -2.216 -5.769 1.00 0.00 C ATOM 1369 OE1 GLN A 89 14.969 -2.693 -4.721 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.600 -2.890 -6.887 1.00 0.00 N ATOM 0 H GLN A 89 14.171 1.217 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 89 12.448 1.338 -5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.271 -0.678 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.046 -1.119 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.608 -0.661 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.827 -0.108 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.232 -2.489 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.026 -3.817 -6.897 1.00 0.00 H new ATOM 1379 N LEU A 90 10.793 1.096 -3.135 1.00 0.00 N ATOM 1380 CA LEU A 90 9.487 1.283 -2.499 1.00 0.00 C ATOM 1381 C LEU A 90 8.880 2.656 -2.760 1.00 0.00 C ATOM 1382 O LEU A 90 7.680 2.804 -2.526 1.00 0.00 O ATOM 1383 CB LEU A 90 9.580 1.082 -0.975 1.00 0.00 C ATOM 1384 CG LEU A 90 9.394 -0.350 -0.459 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.132 -0.567 0.868 1.00 0.00 C ATOM 1386 CD2 LEU A 90 7.908 -0.595 -0.190 1.00 0.00 C ATOM 0 H LEU A 90 11.537 0.891 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 90 8.839 0.531 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.555 1.440 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.830 1.715 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 90 9.790 -1.028 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.979 -1.592 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.197 -0.387 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.744 0.123 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.768 -1.612 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.552 0.114 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.344 -0.462 -1.113 1.00 0.00 H new ATOM 1398 N ILE A 91 9.654 3.644 -3.204 1.00 0.00 N ATOM 1399 CA ILE A 91 9.134 4.935 -3.635 1.00 0.00 C ATOM 1400 C ILE A 91 9.210 5.078 -5.141 1.00 0.00 C ATOM 1401 O ILE A 91 8.275 5.624 -5.704 1.00 0.00 O ATOM 1402 CB ILE A 91 9.797 6.076 -2.846 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.160 6.083 -1.440 1.00 0.00 C ATOM 1404 CG2 ILE A 91 9.591 7.469 -3.462 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.237 6.098 -0.363 1.00 0.00 C ATOM 0 H ILE A 91 10.669 3.568 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 91 8.071 4.998 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 91 10.871 5.891 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.517 6.956 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.528 5.204 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.090 8.217 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.012 7.488 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.525 7.691 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.768 6.103 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.863 5.211 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.852 6.991 -0.476 1.00 0.00 H new ATOM 1417 N ASP A 92 10.222 4.569 -5.828 1.00 0.00 N ATOM 1418 CA ASP A 92 10.318 4.763 -7.267 1.00 0.00 C ATOM 1419 C ASP A 92 9.189 4.048 -8.002 1.00 0.00 C ATOM 1420 O ASP A 92 8.689 4.547 -9.012 1.00 0.00 O ATOM 1421 CB ASP A 92 11.649 4.225 -7.791 1.00 0.00 C ATOM 1422 CG ASP A 92 11.822 4.617 -9.256 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.791 5.830 -9.570 1.00 0.00 O ATOM 1424 OD2 ASP A 92 11.980 3.719 -10.110 1.00 0.00 O ATOM 0 H ASP A 92 10.981 4.024 -5.418 1.00 0.00 H new ATOM 0 HA ASP A 92 10.245 5.835 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.472 4.624 -7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.679 3.140 -7.689 1.00 0.00 H new ATOM 1429 N ILE A 93 8.771 2.889 -7.490 1.00 0.00 N ATOM 1430 CA ILE A 93 7.655 2.142 -8.035 1.00 0.00 C ATOM 1431 C ILE A 93 6.363 2.905 -7.692 1.00 0.00 C ATOM 1432 O ILE A 93 5.528 3.121 -8.572 1.00 0.00 O ATOM 1433 CB ILE A 93 7.712 0.698 -7.482 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.011 -0.043 -7.907 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.498 -0.093 -7.989 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.330 -1.303 -7.083 1.00 0.00 C ATOM 0 H ILE A 93 9.206 2.446 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 93 7.692 2.054 -9.121 1.00 0.00 H new ATOM 0 HB ILE A 93 7.703 0.764 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.926 -0.324 -8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.850 0.648 -7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.538 -1.110 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.582 0.390 -7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.511 -0.121 -9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.252 -1.754 -7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.451 -1.031 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.513 -2.018 -7.180 1.00 0.00 H new ATOM 1448 N VAL A 94 6.201 3.311 -6.426 1.00 0.00 N ATOM 1449 CA VAL A 94 5.019 3.998 -5.913 1.00 0.00 C ATOM 1450 C VAL A 94 4.844 5.340 -6.621 1.00 0.00 C ATOM 1451 O VAL A 94 3.899 5.509 -7.389 1.00 0.00 O ATOM 1452 CB VAL A 94 5.098 4.108 -4.369 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.079 5.106 -3.793 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.813 2.719 -3.788 1.00 0.00 C ATOM 0 H VAL A 94 6.914 3.163 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 94 4.121 3.421 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 94 6.090 4.471 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.179 5.143 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.265 6.096 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.070 4.787 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.861 2.763 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.819 2.393 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.556 2.011 -4.156 1.00 0.00 H new ATOM 1464 N HIS A 95 5.769 6.271 -6.393 1.00 0.00 N ATOM 1465 CA HIS A 95 5.754 7.624 -6.912 1.00 0.00 C ATOM 1466 C HIS A 95 5.686 7.616 -8.443 1.00 0.00 C ATOM 1467 O HIS A 95 5.228 8.580 -9.055 1.00 0.00 O ATOM 1468 CB HIS A 95 7.031 8.368 -6.495 1.00 0.00 C ATOM 1469 CG HIS A 95 6.862 9.865 -6.577 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.490 10.695 -7.477 1.00 0.00 N ATOM 1471 CD2 HIS A 95 5.991 10.630 -5.846 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.019 11.936 -7.296 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.090 11.944 -6.324 1.00 0.00 N ATOM 0 H HIS A 95 6.587 6.086 -5.812 1.00 0.00 H new ATOM 0 HA HIS A 95 4.875 8.125 -6.505 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.298 8.088 -5.476 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.857 8.060 -7.137 1.00 0.00 H new ATOM 0 HD1 HIS A 95 8.192 10.414 -8.162 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.348 10.285 -5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.339 12.805 -7.851 1.00 0.00 H new ATOM 1481 N GLY A 96 6.196 6.554 -9.075 1.00 0.00 N ATOM 1482 CA GLY A 96 6.085 6.322 -10.498 1.00 0.00 C ATOM 1483 C GLY A 96 4.628 6.098 -10.877 1.00 0.00 C ATOM 1484 O GLY A 96 4.050 6.901 -11.610 1.00 0.00 O ATOM 0 H GLY A 96 6.709 5.819 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.485 7.175 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.680 5.454 -10.781 1.00 0.00 H new ATOM 1488 N CYS A 97 4.006 5.039 -10.352 1.00 0.00 N ATOM 1489 CA CYS A 97 2.613 4.713 -10.636 1.00 0.00 C ATOM 1490 C CYS A 97 1.671 5.847 -10.237 1.00 0.00 C ATOM 1491 O CYS A 97 0.696 6.073 -10.947 1.00 0.00 O ATOM 1492 CB CYS A 97 2.235 3.423 -9.934 1.00 0.00 C ATOM 1493 SG CYS A 97 2.762 1.929 -10.800 1.00 0.00 S ATOM 0 H CYS A 97 4.460 4.383 -9.716 1.00 0.00 H new ATOM 0 HA CYS A 97 2.509 4.578 -11.713 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.672 3.424 -8.935 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.153 3.394 -9.808 1.00 0.00 H new ATOM 1498 N GLU A 98 1.971 6.635 -9.204 1.00 0.00 N ATOM 1499 CA GLU A 98 1.199 7.822 -8.823 1.00 0.00 C ATOM 1500 C GLU A 98 1.028 8.839 -9.970 1.00 0.00 C ATOM 1501 O GLU A 98 0.191 9.740 -9.860 1.00 0.00 O ATOM 1502 CB GLU A 98 1.862 8.488 -7.606 1.00 0.00 C ATOM 1503 CG GLU A 98 1.577 7.734 -6.299 1.00 0.00 C ATOM 1504 CD GLU A 98 2.265 8.343 -5.072 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.059 9.296 -5.236 1.00 0.00 O ATOM 1506 OE2 GLU A 98 2.003 7.831 -3.957 1.00 0.00 O ATOM 0 H GLU A 98 2.772 6.464 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 98 0.193 7.486 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.939 8.539 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.504 9.514 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.501 7.715 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.901 6.699 -6.409 1.00 0.00 H new ATOM 1513 N LYS A 99 1.768 8.697 -11.076 1.00 0.00 N ATOM 1514 CA LYS A 99 1.648 9.479 -12.306 1.00 0.00 C ATOM 1515 C LYS A 99 1.351 8.545 -13.485 1.00 0.00 C ATOM 1516 O LYS A 99 0.444 8.811 -14.274 1.00 0.00 O ATOM 1517 CB LYS A 99 2.930 10.308 -12.538 1.00 0.00 C ATOM 1518 CG LYS A 99 3.132 11.464 -11.536 1.00 0.00 C ATOM 1519 CD LYS A 99 3.859 11.084 -10.239 1.00 0.00 C ATOM 1520 CE LYS A 99 3.880 12.264 -9.256 1.00 0.00 C ATOM 1521 NZ LYS A 99 3.597 11.833 -7.870 1.00 0.00 N ATOM 0 H LYS A 99 2.505 7.995 -11.137 1.00 0.00 H new ATOM 0 HA LYS A 99 0.818 10.180 -12.216 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.792 9.643 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.905 10.719 -13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.693 12.257 -12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.156 11.876 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.364 10.230 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.880 10.777 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.855 12.750 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.142 13.005 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.766 12.344 -7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.407 10.811 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.419 12.041 -7.267 1.00 0.00 H new ATOM 1535 N SER A 100 2.099 7.446 -13.607 1.00 0.00 N ATOM 1536 CA SER A 100 2.001 6.456 -14.674 1.00 0.00 C ATOM 1537 C SER A 100 0.631 5.771 -14.758 1.00 0.00 C ATOM 1538 O SER A 100 0.073 5.661 -15.852 1.00 0.00 O ATOM 1539 CB SER A 100 3.122 5.431 -14.484 1.00 0.00 C ATOM 1540 OG SER A 100 4.260 5.827 -15.223 1.00 0.00 O ATOM 0 H SER A 100 2.825 7.214 -12.929 1.00 0.00 H new ATOM 0 HA SER A 100 2.112 6.976 -15.626 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.374 5.346 -13.427 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.788 4.447 -14.812 1.00 0.00 H new ATOM 0 HG SER A 100 4.976 5.170 -15.098 1.00 0.00 H new ATOM 1546 N THR A 101 0.092 5.298 -13.633 1.00 0.00 N ATOM 1547 CA THR A 101 -1.117 4.493 -13.582 1.00 0.00 C ATOM 1548 C THR A 101 -2.305 5.296 -14.118 1.00 0.00 C ATOM 1549 O THR A 101 -2.559 6.409 -13.640 1.00 0.00 O ATOM 1550 CB THR A 101 -1.308 4.010 -12.138 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.423 2.940 -11.889 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.698 3.479 -11.811 1.00 0.00 C ATOM 0 H THR A 101 0.498 5.471 -12.714 1.00 0.00 H new ATOM 0 HA THR A 101 -1.038 3.614 -14.222 1.00 0.00 H new ATOM 0 HB THR A 101 -1.129 4.893 -11.525 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.539 2.628 -10.967 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.731 3.163 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.436 4.264 -11.976 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.924 2.629 -12.455 1.00 0.00 H new ATOM 1560 N PRO A 102 -3.044 4.752 -15.096 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.324 5.290 -15.491 1.00 0.00 C ATOM 1562 C PRO A 102 -5.340 4.962 -14.403 1.00 0.00 C ATOM 1563 O PRO A 102 -5.470 3.814 -13.970 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.647 4.627 -16.825 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.946 3.269 -16.741 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.770 3.507 -15.794 1.00 0.00 C ATOM 0 HA PRO A 102 -4.333 6.373 -15.610 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.722 4.514 -16.965 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.277 5.216 -17.664 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.616 2.499 -16.358 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.606 2.936 -17.722 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.667 2.682 -15.089 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.833 3.571 -16.348 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.050 5.995 -13.977 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.120 5.948 -13.006 1.00 0.00 C ATOM 1576 C ALA A 103 -8.194 6.926 -13.455 1.00 0.00 C ATOM 1577 O ALA A 103 -8.102 7.525 -14.533 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.568 6.287 -11.621 1.00 0.00 C ATOM 0 H ALA A 103 -5.881 6.940 -14.322 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.558 4.952 -12.938 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.375 6.252 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.799 5.564 -11.349 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.136 7.288 -11.636 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.236 7.062 -12.653 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.151 8.185 -12.749 1.00 0.00 C ATOM 1586 C ASN A 104 -9.949 9.093 -11.548 1.00 0.00 C ATOM 1587 O ASN A 104 -9.218 8.740 -10.622 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.574 7.789 -13.107 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.357 7.435 -11.891 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -13.239 8.174 -11.470 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.057 6.285 -11.353 1.00 0.00 N ATOM 0 H ASN A 104 -9.471 6.396 -11.917 1.00 0.00 H new ATOM 0 HA ASN A 104 -9.909 8.796 -13.619 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.062 8.611 -13.630 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -11.557 6.941 -13.791 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.569 5.956 -10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.311 5.715 -11.751 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.599 10.260 -11.581 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.546 11.308 -10.549 1.00 0.00 C ATOM 1600 C ASP A 105 -10.862 10.796 -9.143 1.00 0.00 C ATOM 1601 O ASP A 105 -10.577 11.439 -8.138 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.521 12.399 -10.959 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.457 13.694 -10.145 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.328 14.172 -9.855 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -12.517 14.315 -9.938 1.00 0.00 O ATOM 0 H ASP A 105 -11.204 10.515 -12.361 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.526 11.687 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.344 12.642 -12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.533 11.999 -10.891 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.415 9.589 -9.085 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.662 8.837 -7.880 1.00 0.00 C ATOM 1612 C ASP A 106 -10.341 8.403 -7.246 1.00 0.00 C ATOM 1613 O ASP A 106 -9.771 7.366 -7.608 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.515 7.633 -8.266 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.330 7.086 -7.103 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -13.015 7.340 -5.923 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.288 6.334 -7.404 1.00 0.00 O ATOM 0 H ASP A 106 -11.715 9.092 -9.924 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.185 9.443 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.190 7.916 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.868 6.845 -8.652 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.834 9.193 -6.298 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.580 8.909 -5.593 1.00 0.00 C ATOM 1624 C LYS A 107 -8.568 7.519 -4.942 1.00 0.00 C ATOM 1625 O LYS A 107 -7.487 6.950 -4.770 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.271 10.006 -4.574 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.920 11.338 -5.242 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.512 11.468 -5.827 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.341 10.810 -7.202 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.220 11.401 -7.956 1.00 0.00 N ATOM 0 H LYS A 107 -10.285 10.056 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.788 8.902 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.133 10.146 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.441 9.689 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.638 11.516 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.057 12.132 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.260 12.525 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.799 11.023 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.170 9.741 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.262 10.920 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.526 11.606 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.918 12.283 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.425 10.731 -7.977 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.739 6.938 -4.640 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.846 5.544 -4.231 1.00 0.00 C ATOM 1646 C CYS A 108 -9.293 4.629 -5.330 1.00 0.00 C ATOM 1647 O CYS A 108 -8.419 3.805 -5.075 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.305 5.142 -3.973 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.320 6.037 -2.776 1.00 0.00 S ATOM 0 H CYS A 108 -10.633 7.427 -4.675 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.273 5.435 -3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.823 5.191 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.298 4.096 -3.667 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.837 4.735 -6.548 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.500 3.878 -7.686 1.00 0.00 C ATOM 1656 C ILE A 109 -8.045 4.088 -8.074 1.00 0.00 C ATOM 1657 O ILE A 109 -7.348 3.116 -8.368 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.479 4.144 -8.853 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.855 3.551 -8.458 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.970 3.674 -10.226 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.673 2.845 -9.540 1.00 0.00 C ATOM 0 H ILE A 109 -10.541 5.438 -6.773 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.610 2.828 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.574 5.220 -8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.692 2.841 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.464 4.361 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.717 3.899 -10.987 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.041 4.191 -10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.791 2.599 -10.199 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.608 2.485 -9.112 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.889 3.545 -10.347 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.105 2.002 -9.933 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.591 5.338 -8.065 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.215 5.703 -8.254 1.00 0.00 C ATOM 1675 C TRP A 110 -5.304 4.901 -7.334 1.00 0.00 C ATOM 1676 O TRP A 110 -4.505 4.107 -7.829 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.121 7.208 -8.044 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.746 7.743 -8.116 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.947 7.647 -9.191 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.982 8.425 -7.086 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.745 8.265 -8.924 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.710 8.764 -7.634 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.265 8.819 -5.760 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.756 9.469 -6.888 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.297 9.500 -4.999 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.046 9.819 -5.559 1.00 0.00 C ATOM 0 H TRP A 110 -8.202 6.142 -7.920 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.871 5.464 -9.260 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.733 7.708 -8.795 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.545 7.455 -7.071 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.206 7.161 -10.120 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.978 8.345 -9.592 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.229 8.597 -5.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.809 9.740 -7.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.515 9.780 -3.979 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.306 10.335 -4.965 1.00 0.00 H new ATOM 1697 N THR A 111 -5.460 5.040 -6.020 1.00 0.00 N ATOM 1698 CA THR A 111 -4.590 4.372 -5.065 1.00 0.00 C ATOM 1699 C THR A 111 -4.706 2.836 -5.163 1.00 0.00 C ATOM 1700 O THR A 111 -3.703 2.135 -5.015 1.00 0.00 O ATOM 1701 CB THR A 111 -4.884 4.950 -3.673 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.681 6.348 -3.670 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.978 4.332 -2.610 1.00 0.00 C ATOM 0 H THR A 111 -6.187 5.614 -5.593 1.00 0.00 H new ATOM 0 HA THR A 111 -3.541 4.565 -5.291 1.00 0.00 H new ATOM 0 HB THR A 111 -5.923 4.717 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.299 6.767 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.212 4.763 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.138 3.254 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.936 4.537 -2.856 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.885 2.294 -5.509 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.052 0.883 -5.882 1.00 0.00 C ATOM 1713 C LEU A 112 -5.089 0.525 -7.017 1.00 0.00 C ATOM 1714 O LEU A 112 -4.396 -0.490 -6.942 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.545 0.590 -6.208 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.872 -0.333 -7.391 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.653 -1.793 -7.009 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.326 -0.191 -7.857 1.00 0.00 C ATOM 0 H LEU A 112 -6.754 2.828 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.791 0.236 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.000 0.159 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.038 1.545 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.205 -0.035 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.890 -2.431 -7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.612 -1.942 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.300 -2.051 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.507 -0.864 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.997 -0.444 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.509 0.837 -8.171 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.034 1.344 -8.064 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.196 1.110 -9.223 1.00 0.00 C ATOM 1732 C GLY A 113 -2.713 1.175 -8.865 1.00 0.00 C ATOM 1733 O GLY A 113 -1.959 0.284 -9.267 1.00 0.00 O ATOM 0 H GLY A 113 -5.582 2.202 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.426 0.133 -9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.419 1.852 -9.990 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.301 2.196 -8.106 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.914 2.405 -7.693 1.00 0.00 C ATOM 1739 C VAL A 114 -0.434 1.206 -6.864 1.00 0.00 C ATOM 1740 O VAL A 114 0.625 0.646 -7.143 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.770 3.747 -6.934 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.673 4.000 -6.470 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.180 4.954 -7.799 1.00 0.00 C ATOM 0 H VAL A 114 -2.937 2.913 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.275 2.473 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.434 3.654 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.724 4.953 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.986 3.198 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.334 4.029 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.062 5.872 -7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.547 4.998 -8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.222 4.848 -8.102 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.209 0.751 -5.873 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.794 -0.405 -5.086 1.00 0.00 C ATOM 1755 C ALA A 115 -0.743 -1.673 -5.948 1.00 0.00 C ATOM 1756 O ALA A 115 0.117 -2.526 -5.739 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.741 -0.578 -3.905 1.00 0.00 C ATOM 0 H ALA A 115 -2.105 1.157 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 115 0.214 -0.234 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.433 -1.441 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.713 0.316 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.756 -0.733 -4.272 1.00 0.00 H new ATOM 1763 N THR A 116 -1.620 -1.791 -6.946 1.00 0.00 N ATOM 1764 CA THR A 116 -1.703 -2.968 -7.791 1.00 0.00 C ATOM 1765 C THR A 116 -0.511 -3.076 -8.749 1.00 0.00 C ATOM 1766 O THR A 116 0.051 -4.169 -8.866 1.00 0.00 O ATOM 1767 CB THR A 116 -3.057 -2.956 -8.508 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.077 -3.020 -7.529 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.229 -4.144 -9.445 1.00 0.00 C ATOM 0 H THR A 116 -2.294 -1.064 -7.187 1.00 0.00 H new ATOM 0 HA THR A 116 -1.644 -3.867 -7.178 1.00 0.00 H new ATOM 0 HB THR A 116 -3.112 -2.045 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.269 -2.118 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.205 -4.088 -9.928 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.447 -4.125 -10.204 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.159 -5.070 -8.875 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.098 -2.001 -9.431 1.00 0.00 N ATOM 1778 CA CYS A 117 1.084 -2.080 -10.292 1.00 0.00 C ATOM 1779 C CYS A 117 2.303 -2.420 -9.434 1.00 0.00 C ATOM 1780 O CYS A 117 3.088 -3.289 -9.815 1.00 0.00 O ATOM 1781 CB CYS A 117 1.309 -0.787 -11.085 1.00 0.00 C ATOM 1782 SG CYS A 117 1.416 0.652 -10.012 1.00 0.00 S ATOM 0 H CYS A 117 -0.553 -1.088 -9.405 1.00 0.00 H new ATOM 0 HA CYS A 117 0.924 -2.867 -11.029 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.226 -0.874 -11.667 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.493 -0.650 -11.794 1.00 0.00 H new ATOM 1787 N PHE A 118 2.418 -1.787 -8.263 1.00 0.00 N ATOM 1788 CA PHE A 118 3.474 -2.024 -7.300 1.00 0.00 C ATOM 1789 C PHE A 118 3.498 -3.485 -6.861 1.00 0.00 C ATOM 1790 O PHE A 118 4.562 -4.093 -6.902 1.00 0.00 O ATOM 1791 CB PHE A 118 3.310 -1.031 -6.143 1.00 0.00 C ATOM 1792 CG PHE A 118 4.140 -1.298 -4.904 1.00 0.00 C ATOM 1793 CD1 PHE A 118 3.658 -2.167 -3.907 1.00 0.00 C ATOM 1794 CD2 PHE A 118 5.377 -0.653 -4.726 1.00 0.00 C ATOM 1795 CE1 PHE A 118 4.433 -2.418 -2.764 1.00 0.00 C ATOM 1796 CE2 PHE A 118 6.149 -0.886 -3.577 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.677 -1.786 -2.604 1.00 0.00 C ATOM 0 H PHE A 118 1.754 -1.075 -7.959 1.00 0.00 H new ATOM 0 HA PHE A 118 4.451 -1.849 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.555 -0.035 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.259 -1.014 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 118 2.694 -2.640 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 118 5.737 0.029 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 118 4.072 -3.098 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 118 7.094 -0.381 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.275 -1.992 -1.729 1.00 0.00 H new ATOM 1807 N LYS A 119 2.352 -4.077 -6.498 1.00 0.00 N ATOM 1808 CA LYS A 119 2.262 -5.452 -6.003 1.00 0.00 C ATOM 1809 C LYS A 119 3.008 -6.418 -6.916 1.00 0.00 C ATOM 1810 O LYS A 119 3.837 -7.178 -6.425 1.00 0.00 O ATOM 1811 CB LYS A 119 0.794 -5.864 -5.802 1.00 0.00 C ATOM 1812 CG LYS A 119 0.701 -7.286 -5.226 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.727 -7.708 -4.861 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.470 -8.412 -6.002 1.00 0.00 C ATOM 1815 NZ LYS A 119 -2.038 -7.501 -7.013 1.00 0.00 N ATOM 0 H LYS A 119 1.449 -3.604 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 119 2.749 -5.497 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.303 -5.161 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.265 -5.817 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.105 -7.991 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.329 -7.351 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.691 -8.372 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.292 -6.826 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.784 -9.100 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.275 -9.013 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.049 -7.710 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.925 -6.517 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.541 -7.632 -7.917 1.00 0.00 H new ATOM 1829 N ALA A 120 2.748 -6.378 -8.224 1.00 0.00 N ATOM 1830 CA ALA A 120 3.411 -7.250 -9.188 1.00 0.00 C ATOM 1831 C ALA A 120 4.936 -7.189 -9.068 1.00 0.00 C ATOM 1832 O ALA A 120 5.594 -8.220 -9.180 1.00 0.00 O ATOM 1833 CB ALA A 120 2.967 -6.879 -10.606 1.00 0.00 C ATOM 0 H ALA A 120 2.072 -5.739 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 120 3.117 -8.277 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.463 -7.531 -11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.887 -6.999 -10.692 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.235 -5.843 -10.812 1.00 0.00 H new ATOM 1839 N GLU A 121 5.516 -6.016 -8.816 1.00 0.00 N ATOM 1840 CA GLU A 121 6.960 -5.868 -8.679 1.00 0.00 C ATOM 1841 C GLU A 121 7.462 -6.686 -7.489 1.00 0.00 C ATOM 1842 O GLU A 121 8.467 -7.374 -7.607 1.00 0.00 O ATOM 1843 CB GLU A 121 7.357 -4.395 -8.483 1.00 0.00 C ATOM 1844 CG GLU A 121 6.751 -3.436 -9.518 1.00 0.00 C ATOM 1845 CD GLU A 121 7.207 -3.707 -10.955 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.232 -4.393 -11.185 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.489 -3.289 -11.899 1.00 0.00 O ATOM 0 H GLU A 121 4.997 -5.145 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 121 7.418 -6.232 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.050 -4.077 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.443 -4.315 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.664 -3.507 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.015 -2.413 -9.250 1.00 0.00 H new ATOM 1854 N ILE A 122 6.746 -6.657 -6.362 1.00 0.00 N ATOM 1855 CA ILE A 122 7.097 -7.345 -5.109 1.00 0.00 C ATOM 1856 C ILE A 122 7.206 -8.853 -5.360 1.00 0.00 C ATOM 1857 O ILE A 122 8.101 -9.503 -4.817 1.00 0.00 O ATOM 1858 CB ILE A 122 6.078 -6.995 -3.985 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.663 -5.505 -4.006 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.549 -7.309 -2.551 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.822 -4.494 -4.003 1.00 0.00 C ATOM 0 H ILE A 122 5.873 -6.135 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 122 8.071 -6.999 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 122 5.236 -7.646 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.052 -5.329 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.031 -5.310 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.769 -7.029 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.755 -8.375 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.456 -6.744 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.421 -3.481 -4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.423 -4.632 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.444 -4.652 -4.884 1.00 0.00 H new ATOM 1873 N HIS A 123 6.337 -9.400 -6.217 1.00 0.00 N ATOM 1874 CA HIS A 123 6.420 -10.786 -6.661 1.00 0.00 C ATOM 1875 C HIS A 123 7.725 -11.022 -7.434 1.00 0.00 C ATOM 1876 O HIS A 123 8.478 -11.938 -7.094 1.00 0.00 O ATOM 1877 CB HIS A 123 5.198 -11.165 -7.508 1.00 0.00 C ATOM 1878 CG HIS A 123 3.919 -11.345 -6.727 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.232 -12.524 -6.618 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.219 -10.409 -6.015 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.145 -12.315 -5.866 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.080 -11.026 -5.482 1.00 0.00 N ATOM 0 H HIS A 123 5.554 -8.887 -6.621 1.00 0.00 H new ATOM 0 HA HIS A 123 6.424 -11.430 -5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.042 -10.393 -8.261 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.415 -12.091 -8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.497 -9.373 -5.886 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.422 -13.073 -5.604 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.351 -10.589 -4.919 1.00 0.00 H new ATOM 1890 N LYS A 124 8.034 -10.218 -8.463 1.00 0.00 N ATOM 1891 CA LYS A 124 9.290 -10.373 -9.215 1.00 0.00 C ATOM 1892 C LYS A 124 10.519 -10.236 -8.320 1.00 0.00 C ATOM 1893 O LYS A 124 11.453 -11.019 -8.435 1.00 0.00 O ATOM 1894 CB LYS A 124 9.413 -9.351 -10.348 1.00 0.00 C ATOM 1895 CG LYS A 124 8.581 -9.685 -11.585 1.00 0.00 C ATOM 1896 CD LYS A 124 7.188 -9.060 -11.591 1.00 0.00 C ATOM 1897 CE LYS A 124 6.530 -9.075 -12.974 1.00 0.00 C ATOM 1898 NZ LYS A 124 7.229 -8.244 -13.982 1.00 0.00 N ATOM 0 H LYS A 124 7.437 -9.459 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 124 9.252 -11.380 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.111 -8.373 -9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.460 -9.272 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.120 -9.352 -12.472 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.481 -10.768 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.552 -9.597 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.256 -8.031 -11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.486 -10.103 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.502 -8.726 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.607 -8.096 -14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.475 -7.324 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.097 -8.728 -14.289 1.00 0.00 H new ATOM 1912 N LEU A 125 10.527 -9.219 -7.460 1.00 0.00 N ATOM 1913 CA LEU A 125 11.568 -8.922 -6.479 1.00 0.00 C ATOM 1914 C LEU A 125 11.709 -10.034 -5.434 1.00 0.00 C ATOM 1915 O LEU A 125 12.688 -10.038 -4.687 1.00 0.00 O ATOM 1916 CB LEU A 125 11.251 -7.576 -5.794 1.00 0.00 C ATOM 1917 CG LEU A 125 11.479 -6.337 -6.685 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.729 -5.108 -6.163 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.971 -5.993 -6.755 1.00 0.00 C ATOM 0 H LEU A 125 9.764 -8.543 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 125 12.521 -8.857 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.212 -7.586 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.867 -7.483 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 125 11.098 -6.591 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.918 -4.260 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.660 -5.317 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.075 -4.871 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.113 -5.117 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.343 -5.781 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.520 -6.836 -7.175 1.00 0.00 H new ATOM 1931 N ASN A 126 10.782 -10.998 -5.389 1.00 0.00 N ATOM 1932 CA ASN A 126 10.784 -12.130 -4.468 1.00 0.00 C ATOM 1933 C ASN A 126 10.687 -11.658 -3.008 1.00 0.00 C ATOM 1934 O ASN A 126 11.284 -12.221 -2.086 1.00 0.00 O ATOM 1935 CB ASN A 126 11.973 -13.051 -4.784 1.00 0.00 C ATOM 1936 CG ASN A 126 11.677 -14.459 -4.326 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.852 -15.139 -4.935 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.338 -14.932 -3.291 1.00 0.00 N ATOM 0 H ASN A 126 9.980 -11.007 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 126 9.891 -12.739 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 126 12.174 -13.044 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.871 -12.681 -4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.172 -15.887 -2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.016 -14.344 -2.807 1.00 0.00 H new ATOM 1945 N TRP A 127 9.936 -10.573 -2.802 1.00 0.00 N ATOM 1946 CA TRP A 127 9.701 -9.914 -1.524 1.00 0.00 C ATOM 1947 C TRP A 127 8.479 -10.492 -0.781 1.00 0.00 C ATOM 1948 O TRP A 127 7.967 -9.853 0.141 1.00 0.00 O ATOM 1949 CB TRP A 127 9.687 -8.391 -1.721 1.00 0.00 C ATOM 1950 CG TRP A 127 10.948 -7.676 -2.116 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.175 -8.225 -2.224 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.142 -6.250 -2.387 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.111 -7.247 -2.479 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.536 -6.001 -2.568 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.288 -5.132 -2.476 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.052 -4.715 -2.779 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 10.789 -3.833 -2.674 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.170 -3.623 -2.821 1.00 0.00 C ATOM 0 H TRP A 127 9.450 -10.108 -3.569 1.00 0.00 H new ATOM 0 HA TRP A 127 10.528 -10.127 -0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 127 8.936 -8.168 -2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.340 -7.946 -0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.392 -9.278 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.109 -7.425 -2.589 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.221 -5.277 -2.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.114 -4.566 -2.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.110 -2.994 -2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.553 -2.624 -2.966 1.00 0.00 H new ATOM 1969 N ALA A 128 8.019 -11.704 -1.119 1.00 0.00 N ATOM 1970 CA ALA A 128 6.987 -12.441 -0.391 1.00 0.00 C ATOM 1971 C ALA A 128 7.449 -13.869 -0.126 1.00 0.00 C ATOM 1972 O ALA A 128 8.236 -14.395 -0.941 1.00 0.00 O ATOM 1973 CB ALA A 128 5.677 -12.418 -1.186 1.00 0.00 C ATOM 0 H ALA A 128 8.368 -12.211 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 128 6.811 -11.963 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.910 -12.968 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.354 -11.386 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.834 -12.883 -2.159 1.00 0.00 H new