USER MOD reduce.3.24.130724 H: found=0, std=0, add=1337, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot -32:sc= -0.0385 USER MOD Single : A 5 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0.155 (180deg=0.11) USER MOD Single : A 7 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-0.1) USER MOD Single : A 15 MET CE :methyl 153:sc= -0.623 (180deg=-1.52) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.0866 (180deg=-0.713) USER MOD Single : A 22 SER OG : rot -95:sc= 1.19 USER MOD Single : A 32 LYS NZ :NH3+ -127:sc= -2.35 (180deg=-4.85!) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0295) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0.234 (180deg=0.174) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 48 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.4) USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= -0.483 (180deg=-4.01!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -0.431 (180deg=-1.16) USER MOD Single : A 66 THR OG1 : rot 71:sc= 0.781 USER MOD Single : A 67 CYS SG : rot -47:sc= 1.01 USER MOD Single : A 70 ASN : amide:sc=-0.000494 K(o=-0.00049,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0539) USER MOD Single : A 73 GLN : amide:sc= -0.29 K(o=-0.29,f=-5.8!) USER MOD Single : A 74 SER OG : rot 103:sc= -0.938 USER MOD Single : A 77 CYS SG : rot -17:sc= -0.134 USER MOD Single : A 80 CYS SG : rot -130:sc= -1.65! USER MOD Single : A 85 CYS SG : rot 180:sc= -0.196 USER MOD Single : B 4 SER OG : rot -35:sc= -0.0288 USER MOD Single : B 5 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.7!) USER MOD Single : B 6 LYS NZ :NH3+ 170:sc= 0.15 (180deg=0.112) USER MOD Single : B 7 HIS : no HD1:sc= -0.931 K(o=-0.93,f=-0.095) USER MOD Single : B 15 MET CE :methyl 153:sc= -0.506 (180deg=-1.44) USER MOD Single : B 18 LYS NZ :NH3+ 163:sc= -0.0881 (180deg=-0.591) USER MOD Single : B 22 SER OG : rot -74:sc= 1.12 USER MOD Single : B 32 LYS NZ :NH3+ -130:sc= -2.24 (180deg=-4.97!) USER MOD Single : B 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0443) USER MOD Single : B 41 LYS NZ :NH3+ 166:sc= 0.234 (180deg=0.17) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.507 USER MOD Single : B 48 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.32) USER MOD Single : B 53 LYS NZ :NH3+ -115:sc= -0.532 (180deg=-4.25!) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 162:sc= -0.466 (180deg=-1.14) USER MOD Single : B 66 THR OG1 : rot 65:sc= 0.844 USER MOD Single : B 67 CYS SG : rot -52:sc= 0.983 USER MOD Single : B 70 ASN : amide:sc=-0.00969 K(o=-0.0097,f=-1.2!) USER MOD Single : B 72 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0615) USER MOD Single : B 73 GLN : amide:sc= -0.297 K(o=-0.3,f=-5.9!) USER MOD Single : B 74 SER OG : rot 105:sc= -0.939 USER MOD Single : B 77 CYS SG : rot -18:sc= -0.151 USER MOD Single : B 80 CYS SG : rot -130:sc= -1.62! USER MOD Single : B 85 CYS SG : rot 180:sc= -0.191 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.764 -10.884 4.988 1.00 0.63 N ATOM 49 CA SER A 4 121.540 -12.123 4.189 1.00 0.61 C ATOM 50 C SER A 4 122.807 -12.979 4.223 1.00 0.60 C ATOM 51 O SER A 4 123.821 -12.593 4.770 1.00 0.57 O ATOM 52 CB SER A 4 121.223 -11.745 2.743 1.00 0.63 C ATOM 53 OG SER A 4 122.377 -11.164 2.149 1.00 1.51 O ATOM 0 HA SER A 4 120.705 -12.684 4.609 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.916 -12.628 2.182 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.390 -11.042 2.712 1.00 0.63 H new ATOM 0 HG SER A 4 122.890 -10.683 2.832 1.00 1.51 H new ATOM 59 N GLN A 5 122.746 -14.146 3.640 1.00 0.63 N ATOM 60 CA GLN A 5 123.930 -15.049 3.631 1.00 0.64 C ATOM 61 C GLN A 5 125.115 -14.334 2.984 1.00 0.60 C ATOM 62 O GLN A 5 126.256 -14.703 3.181 1.00 0.59 O ATOM 63 CB GLN A 5 123.603 -16.315 2.838 1.00 0.71 C ATOM 64 CG GLN A 5 122.596 -17.158 3.621 1.00 1.34 C ATOM 65 CD GLN A 5 122.166 -18.358 2.775 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.361 -18.372 1.576 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.580 -19.372 3.353 1.00 2.18 N ATOM 0 H GLN A 5 121.921 -14.514 3.167 1.00 0.63 H new ATOM 0 HA GLN A 5 124.185 -15.319 4.656 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.193 -16.051 1.863 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.512 -16.889 2.657 1.00 0.71 H new ATOM 0 HG2 GLN A 5 123.041 -17.500 4.556 1.00 1.34 H new ATOM 0 HG3 GLN A 5 121.727 -16.555 3.883 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.416 -19.360 4.360 1.00 2.18 H new ATOM 0 HE22 GLN A 5 121.286 -20.176 2.798 1.00 2.18 H new ATOM 76 N LYS A 6 124.858 -13.310 2.215 1.00 0.59 N ATOM 77 CA LYS A 6 125.968 -12.567 1.558 1.00 0.57 C ATOM 78 C LYS A 6 126.876 -11.971 2.632 1.00 0.51 C ATOM 79 O LYS A 6 128.080 -11.916 2.476 1.00 0.50 O ATOM 80 CB LYS A 6 125.387 -11.442 0.699 1.00 0.58 C ATOM 81 CG LYS A 6 124.676 -12.044 -0.514 1.00 0.65 C ATOM 82 CD LYS A 6 123.976 -10.937 -1.312 1.00 0.81 C ATOM 83 CE LYS A 6 125.011 -9.942 -1.852 1.00 1.26 C ATOM 84 NZ LYS A 6 124.438 -9.223 -3.025 1.00 2.02 N ATOM 0 H LYS A 6 123.923 -12.956 2.014 1.00 0.59 H new ATOM 0 HA LYS A 6 126.543 -13.245 0.927 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.688 -10.846 1.285 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.182 -10.771 0.373 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.396 -12.562 -1.148 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.947 -12.786 -0.188 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.414 -11.373 -2.138 1.00 0.81 H new ATOM 0 HD3 LYS A 6 123.258 -10.418 -0.677 1.00 0.81 H new ATOM 0 HE2 LYS A 6 125.288 -9.230 -1.074 1.00 1.26 H new ATOM 0 HE3 LYS A 6 125.921 -10.468 -2.142 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 125.063 -8.435 -3.288 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 124.352 -9.880 -3.827 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 123.498 -8.852 -2.779 1.00 2.02 H new ATOM 98 N HIS A 7 126.315 -11.507 3.711 1.00 0.49 N ATOM 99 CA HIS A 7 127.159 -10.902 4.775 1.00 0.45 C ATOM 100 C HIS A 7 128.163 -11.924 5.300 1.00 0.45 C ATOM 101 O HIS A 7 129.345 -11.655 5.391 1.00 0.43 O ATOM 102 CB HIS A 7 126.259 -10.431 5.923 1.00 0.45 C ATOM 103 CG HIS A 7 127.099 -9.943 7.074 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.324 -8.595 7.312 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.764 -10.616 8.070 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.093 -8.500 8.414 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.387 -9.702 8.911 1.00 0.42 N ATOM 0 H HIS A 7 125.313 -11.520 3.902 1.00 0.49 H new ATOM 0 HA HIS A 7 127.706 -10.055 4.360 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.604 -9.632 5.577 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.618 -11.249 6.252 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.797 -11.690 8.182 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.429 -7.567 8.842 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.951 -9.907 9.736 1.00 0.42 H new ATOM 115 N ARG A 8 127.708 -13.101 5.649 1.00 0.48 N ATOM 116 CA ARG A 8 128.627 -14.145 6.170 1.00 0.50 C ATOM 117 C ARG A 8 129.528 -14.660 5.047 1.00 0.51 C ATOM 118 O ARG A 8 130.676 -14.988 5.262 1.00 0.51 O ATOM 119 CB ARG A 8 127.800 -15.293 6.748 1.00 0.55 C ATOM 120 CG ARG A 8 127.118 -14.814 8.030 1.00 0.57 C ATOM 121 CD ARG A 8 126.285 -15.948 8.626 1.00 1.00 C ATOM 122 NE ARG A 8 125.581 -15.460 9.845 1.00 1.69 N ATOM 123 CZ ARG A 8 124.570 -16.130 10.323 1.00 2.27 C ATOM 124 NH1 ARG A 8 124.175 -17.222 9.728 1.00 2.42 N ATOM 125 NH2 ARG A 8 123.953 -15.708 11.393 1.00 3.21 N ATOM 0 H ARG A 8 126.729 -13.381 5.593 1.00 0.48 H new ATOM 0 HA ARG A 8 129.257 -13.720 6.951 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.054 -15.622 6.024 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.440 -16.150 6.959 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.867 -14.483 8.750 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.481 -13.956 7.816 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.561 -16.305 7.894 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.927 -16.792 8.877 1.00 1.00 H new ATOM 0 HE ARG A 8 125.889 -14.603 10.305 1.00 1.69 H new ATOM 0 HH11 ARG A 8 124.657 -17.550 8.891 1.00 2.42 H new ATOM 0 HH12 ARG A 8 123.384 -17.748 10.100 1.00 2.42 H new ATOM 0 HH21 ARG A 8 124.262 -14.853 11.856 1.00 3.21 H new ATOM 0 HH22 ARG A 8 123.162 -16.233 11.766 1.00 3.21 H new ATOM 139 N ASP A 9 129.018 -14.731 3.849 1.00 0.52 N ATOM 140 CA ASP A 9 129.849 -15.229 2.717 1.00 0.54 C ATOM 141 C ASP A 9 130.949 -14.215 2.405 1.00 0.49 C ATOM 142 O ASP A 9 132.071 -14.572 2.108 1.00 0.49 O ATOM 143 CB ASP A 9 128.979 -15.429 1.476 1.00 0.61 C ATOM 144 CG ASP A 9 128.044 -16.620 1.690 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.357 -17.450 2.527 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.032 -16.683 1.012 1.00 0.76 O ATOM 0 H ASP A 9 128.064 -14.466 3.605 1.00 0.52 H new ATOM 0 HA ASP A 9 130.297 -16.182 2.999 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.398 -14.528 1.278 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.608 -15.600 0.602 1.00 0.61 H new ATOM 151 N PHE A 10 130.629 -12.954 2.450 1.00 0.46 N ATOM 152 CA PHE A 10 131.656 -11.924 2.133 1.00 0.43 C ATOM 153 C PHE A 10 132.780 -11.964 3.179 1.00 0.38 C ATOM 154 O PHE A 10 133.948 -11.944 2.847 1.00 0.36 O ATOM 155 CB PHE A 10 131.001 -10.541 2.128 1.00 0.45 C ATOM 156 CG PHE A 10 131.968 -9.528 1.563 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.208 -9.494 0.184 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.621 -8.624 2.409 1.00 0.43 C ATOM 159 CE1 PHE A 10 133.099 -8.559 -0.351 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.514 -7.687 1.874 1.00 0.43 C ATOM 161 CZ PHE A 10 133.753 -7.654 0.495 1.00 0.43 C ATOM 0 H PHE A 10 129.706 -12.592 2.691 1.00 0.46 H new ATOM 0 HA PHE A 10 132.082 -12.129 1.151 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.089 -10.561 1.532 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.713 -10.259 3.141 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.704 -10.192 -0.468 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.436 -8.649 3.473 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.283 -8.534 -1.415 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.019 -6.989 2.526 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.442 -6.931 0.083 1.00 0.43 H new ATOM 171 N VAL A 11 132.437 -12.009 4.440 1.00 0.37 N ATOM 172 CA VAL A 11 133.484 -12.037 5.510 1.00 0.35 C ATOM 173 C VAL A 11 133.939 -13.479 5.795 1.00 0.37 C ATOM 174 O VAL A 11 134.668 -13.725 6.735 1.00 0.38 O ATOM 175 CB VAL A 11 132.905 -11.428 6.792 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.328 -10.039 6.490 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.795 -12.334 7.324 1.00 0.40 C ATOM 0 H VAL A 11 131.475 -12.028 4.778 1.00 0.37 H new ATOM 0 HA VAL A 11 134.346 -11.462 5.171 1.00 0.35 H new ATOM 0 HB VAL A 11 133.694 -11.336 7.538 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.917 -9.609 7.404 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.118 -9.392 6.108 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.538 -10.127 5.744 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.380 -11.904 8.236 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.008 -12.424 6.575 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.204 -13.321 7.541 1.00 0.40 H new ATOM 187 N ALA A 12 133.534 -14.431 4.986 1.00 0.41 N ATOM 188 CA ALA A 12 133.964 -15.857 5.205 1.00 0.48 C ATOM 189 C ALA A 12 135.040 -16.247 4.188 1.00 0.46 C ATOM 190 O ALA A 12 135.717 -17.244 4.341 1.00 0.49 O ATOM 191 CB ALA A 12 132.765 -16.790 5.042 1.00 0.54 C ATOM 0 H ALA A 12 132.924 -14.285 4.182 1.00 0.41 H new ATOM 0 HA ALA A 12 134.368 -15.947 6.213 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.082 -17.821 5.201 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.999 -16.529 5.772 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.358 -16.687 4.036 1.00 0.54 H new ATOM 197 N GLU A 13 135.204 -15.474 3.148 1.00 0.43 N ATOM 198 CA GLU A 13 136.237 -15.809 2.122 1.00 0.43 C ATOM 199 C GLU A 13 136.715 -14.514 1.456 1.00 0.40 C ATOM 200 O GLU A 13 135.973 -13.555 1.380 1.00 0.37 O ATOM 201 CB GLU A 13 135.617 -16.731 1.065 1.00 0.46 C ATOM 202 CG GLU A 13 134.247 -16.191 0.654 1.00 0.48 C ATOM 203 CD GLU A 13 133.748 -16.951 -0.577 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.036 -18.133 -0.677 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.085 -16.340 -1.398 1.00 1.05 O ATOM 0 H GLU A 13 134.669 -14.626 2.964 1.00 0.43 H new ATOM 0 HA GLU A 13 137.081 -16.313 2.593 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.270 -16.794 0.195 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.517 -17.741 1.462 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.539 -16.302 1.475 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.315 -15.126 0.434 1.00 0.48 H new ATOM 212 N PRO A 14 137.933 -14.477 0.961 1.00 0.42 N ATOM 213 CA PRO A 14 138.476 -13.271 0.279 1.00 0.40 C ATOM 214 C PRO A 14 137.403 -12.561 -0.552 1.00 0.36 C ATOM 215 O PRO A 14 136.428 -13.161 -0.961 1.00 0.36 O ATOM 216 CB PRO A 14 139.571 -13.851 -0.616 1.00 0.45 C ATOM 217 CG PRO A 14 140.101 -15.027 0.147 1.00 0.49 C ATOM 218 CD PRO A 14 138.930 -15.567 0.992 1.00 0.48 C ATOM 0 HA PRO A 14 138.839 -12.515 0.976 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.172 -14.154 -1.584 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.354 -13.118 -0.809 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.474 -15.793 -0.532 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.935 -14.732 0.784 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.527 -16.489 0.572 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.244 -15.792 2.011 1.00 0.48 H new ATOM 226 N MET A 15 137.566 -11.289 -0.796 1.00 0.35 N ATOM 227 CA MET A 15 136.546 -10.538 -1.592 1.00 0.35 C ATOM 228 C MET A 15 136.971 -10.478 -3.063 1.00 0.36 C ATOM 229 O MET A 15 136.148 -10.445 -3.955 1.00 0.39 O ATOM 230 CB MET A 15 136.394 -9.123 -1.027 1.00 0.37 C ATOM 231 CG MET A 15 137.756 -8.427 -0.960 1.00 0.41 C ATOM 232 SD MET A 15 137.610 -6.925 0.039 1.00 0.57 S ATOM 233 CE MET A 15 137.072 -5.814 -1.283 1.00 0.43 C ATOM 0 H MET A 15 138.361 -10.735 -0.479 1.00 0.35 H new ATOM 0 HA MET A 15 135.587 -11.052 -1.526 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.714 -8.546 -1.653 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.952 -9.167 -0.032 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.498 -9.096 -0.525 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.100 -8.178 -1.964 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.480 -5.003 -0.858 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.945 -5.400 -1.788 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.466 -6.368 -2.000 1.00 0.43 H new ATOM 243 N GLY A 16 138.253 -10.477 -3.324 1.00 0.37 N ATOM 244 CA GLY A 16 138.732 -10.433 -4.736 1.00 0.40 C ATOM 245 C GLY A 16 138.137 -9.224 -5.463 1.00 0.40 C ATOM 246 O GLY A 16 138.148 -8.117 -4.961 1.00 0.38 O ATOM 0 H GLY A 16 138.989 -10.505 -2.618 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.820 -10.378 -4.756 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.449 -11.351 -5.252 1.00 0.40 H new ATOM 250 N GLU A 17 137.636 -9.436 -6.656 1.00 0.41 N ATOM 251 CA GLU A 17 137.050 -8.317 -7.462 1.00 0.42 C ATOM 252 C GLU A 17 135.541 -8.514 -7.615 1.00 0.40 C ATOM 253 O GLU A 17 134.969 -8.201 -8.640 1.00 0.40 O ATOM 254 CB GLU A 17 137.701 -8.303 -8.846 1.00 0.47 C ATOM 255 CG GLU A 17 139.157 -7.850 -8.720 1.00 0.52 C ATOM 256 CD GLU A 17 139.819 -7.864 -10.098 1.00 0.57 C ATOM 257 OE1 GLU A 17 140.340 -8.902 -10.472 1.00 0.76 O ATOM 258 OE2 GLU A 17 139.794 -6.838 -10.757 1.00 0.85 O ATOM 0 H GLU A 17 137.608 -10.348 -7.112 1.00 0.41 H new ATOM 0 HA GLU A 17 137.235 -7.371 -6.952 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.655 -9.297 -9.291 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.156 -7.631 -9.509 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.201 -6.848 -8.294 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.696 -8.509 -8.040 1.00 0.52 H new ATOM 265 N LYS A 18 134.887 -9.033 -6.611 1.00 0.38 N ATOM 266 CA LYS A 18 133.417 -9.247 -6.726 1.00 0.36 C ATOM 267 C LYS A 18 132.772 -7.905 -7.102 1.00 0.32 C ATOM 268 O LYS A 18 133.286 -6.858 -6.764 1.00 0.31 O ATOM 269 CB LYS A 18 132.861 -9.727 -5.380 1.00 0.36 C ATOM 270 CG LYS A 18 133.159 -11.217 -5.202 1.00 0.45 C ATOM 271 CD LYS A 18 132.749 -11.656 -3.795 1.00 1.17 C ATOM 272 CE LYS A 18 132.835 -13.179 -3.690 1.00 1.44 C ATOM 273 NZ LYS A 18 134.158 -13.638 -4.202 1.00 2.01 N ATOM 0 H LYS A 18 135.303 -9.316 -5.724 1.00 0.38 H new ATOM 0 HA LYS A 18 133.199 -9.999 -7.484 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.309 -9.157 -4.566 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.786 -9.553 -5.337 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.617 -11.799 -5.948 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.221 -11.407 -5.359 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.400 -11.193 -3.054 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.734 -11.323 -3.580 1.00 1.17 H new ATOM 0 HE2 LYS A 18 132.706 -13.491 -2.654 1.00 1.44 H new ATOM 0 HE3 LYS A 18 132.031 -13.640 -4.264 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 134.369 -14.582 -3.821 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 134.132 -13.682 -5.241 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 134.897 -12.970 -3.902 1.00 2.01 H new ATOM 287 N PRO A 19 131.673 -7.925 -7.820 1.00 0.31 N ATOM 288 CA PRO A 19 130.993 -6.672 -8.264 1.00 0.29 C ATOM 289 C PRO A 19 130.550 -5.802 -7.082 1.00 0.25 C ATOM 290 O PRO A 19 130.384 -6.270 -5.974 1.00 0.24 O ATOM 291 CB PRO A 19 129.785 -7.167 -9.089 1.00 0.32 C ATOM 292 CG PRO A 19 129.579 -8.593 -8.679 1.00 0.33 C ATOM 293 CD PRO A 19 130.955 -9.126 -8.279 1.00 0.34 C ATOM 0 HA PRO A 19 131.659 -6.031 -8.842 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.898 -6.568 -8.885 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.982 -7.090 -10.158 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.878 -8.661 -7.847 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.159 -9.177 -9.498 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.881 -9.875 -7.490 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.462 -9.599 -9.120 1.00 0.34 H new ATOM 301 N VAL A 20 130.371 -4.533 -7.321 1.00 0.25 N ATOM 302 CA VAL A 20 129.952 -3.612 -6.230 1.00 0.23 C ATOM 303 C VAL A 20 128.644 -4.098 -5.600 1.00 0.21 C ATOM 304 O VAL A 20 128.483 -4.117 -4.397 1.00 0.23 O ATOM 305 CB VAL A 20 129.756 -2.208 -6.810 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.633 -2.229 -7.852 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.394 -1.236 -5.683 1.00 0.29 C ATOM 0 H VAL A 20 130.498 -4.092 -8.232 1.00 0.25 H new ATOM 0 HA VAL A 20 130.723 -3.590 -5.460 1.00 0.23 H new ATOM 0 HB VAL A 20 130.680 -1.883 -7.287 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.498 -1.228 -8.261 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.895 -2.917 -8.656 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.706 -2.557 -7.381 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.254 -0.237 -6.095 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.471 -1.563 -5.203 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.198 -1.216 -4.947 1.00 0.29 H new ATOM 317 N GLY A 21 127.702 -4.468 -6.425 1.00 0.23 N ATOM 318 CA GLY A 21 126.383 -4.932 -5.912 1.00 0.21 C ATOM 319 C GLY A 21 126.550 -6.189 -5.056 1.00 0.20 C ATOM 320 O GLY A 21 125.591 -6.706 -4.520 1.00 0.19 O ATOM 0 H GLY A 21 127.792 -4.468 -7.441 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.918 -4.142 -5.321 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.715 -5.141 -6.747 1.00 0.21 H new ATOM 324 N SER A 22 127.748 -6.692 -4.909 1.00 0.20 N ATOM 325 CA SER A 22 127.941 -7.914 -4.072 1.00 0.20 C ATOM 326 C SER A 22 128.037 -7.517 -2.602 1.00 0.19 C ATOM 327 O SER A 22 127.718 -8.286 -1.717 1.00 0.20 O ATOM 328 CB SER A 22 129.239 -8.603 -4.477 1.00 0.23 C ATOM 329 OG SER A 22 130.342 -7.831 -4.023 1.00 1.24 O ATOM 0 H SER A 22 128.596 -6.313 -5.329 1.00 0.20 H new ATOM 0 HA SER A 22 127.097 -8.587 -4.220 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.281 -9.605 -4.050 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.281 -8.717 -5.560 1.00 0.23 H new ATOM 0 HG SER A 22 130.649 -7.244 -4.745 1.00 1.24 H new ATOM 335 N LEU A 23 128.487 -6.326 -2.334 1.00 0.17 N ATOM 336 CA LEU A 23 128.617 -5.885 -0.917 1.00 0.18 C ATOM 337 C LEU A 23 127.248 -5.926 -0.241 1.00 0.18 C ATOM 338 O LEU A 23 126.244 -5.543 -0.808 1.00 0.17 O ATOM 339 CB LEU A 23 129.162 -4.455 -0.862 1.00 0.18 C ATOM 340 CG LEU A 23 130.596 -4.411 -1.412 1.00 0.21 C ATOM 341 CD1 LEU A 23 131.063 -2.951 -1.472 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.544 -5.224 -0.505 1.00 0.24 C ATOM 0 H LEU A 23 128.770 -5.638 -3.032 1.00 0.17 H new ATOM 0 HA LEU A 23 129.304 -6.554 -0.399 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.522 -3.792 -1.443 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.148 -4.092 0.166 1.00 0.18 H new ATOM 0 HG LEU A 23 130.612 -4.848 -2.411 1.00 0.21 H new ATOM 0 HD11 LEU A 23 132.080 -2.910 -1.861 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.401 -2.384 -2.126 1.00 0.23 H new ATOM 0 HD13 LEU A 23 131.040 -2.520 -0.471 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.556 -5.184 -0.907 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.536 -4.803 0.500 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.210 -6.261 -0.466 1.00 0.24 H new ATOM 354 N ALA A 24 127.212 -6.393 0.971 1.00 0.18 N ATOM 355 CA ALA A 24 125.917 -6.469 1.698 1.00 0.19 C ATOM 356 C ALA A 24 125.376 -5.059 1.952 1.00 0.20 C ATOM 357 O ALA A 24 126.092 -4.162 2.353 1.00 0.20 O ATOM 358 CB ALA A 24 126.125 -7.183 3.033 1.00 0.21 C ATOM 0 H ALA A 24 128.023 -6.726 1.492 1.00 0.18 H new ATOM 0 HA ALA A 24 125.199 -7.023 1.093 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.176 -7.239 3.567 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.500 -8.190 2.852 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.847 -6.629 3.633 1.00 0.21 H new ATOM 364 N GLY A 25 124.110 -4.867 1.706 1.00 0.20 N ATOM 365 CA GLY A 25 123.489 -3.523 1.915 1.00 0.21 C ATOM 366 C GLY A 25 123.401 -2.794 0.573 1.00 0.21 C ATOM 367 O GLY A 25 122.626 -1.874 0.405 1.00 0.22 O ATOM 0 H GLY A 25 123.472 -5.587 1.367 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.495 -3.632 2.349 1.00 0.21 H new ATOM 0 HA3 GLY A 25 124.082 -2.941 2.620 1.00 0.21 H new ATOM 371 N ILE A 26 124.185 -3.207 -0.391 1.00 0.20 N ATOM 372 CA ILE A 26 124.143 -2.550 -1.733 1.00 0.21 C ATOM 373 C ILE A 26 123.294 -3.412 -2.660 1.00 0.23 C ATOM 374 O ILE A 26 123.650 -4.534 -2.965 1.00 0.25 O ATOM 375 CB ILE A 26 125.557 -2.453 -2.308 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.488 -1.754 -1.306 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.517 -1.656 -3.613 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.887 -0.417 -0.856 1.00 0.24 C ATOM 0 H ILE A 26 124.854 -3.973 -0.306 1.00 0.20 H new ATOM 0 HA ILE A 26 123.722 -1.549 -1.641 1.00 0.21 H new ATOM 0 HB ILE A 26 125.936 -3.457 -2.501 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.649 -2.397 -0.440 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.463 -1.586 -1.763 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.523 -1.584 -4.027 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.866 -2.160 -4.327 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.133 -0.655 -3.416 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.560 0.064 -0.146 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.750 0.230 -1.722 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.923 -0.594 -0.379 1.00 0.24 H new ATOM 390 N GLY A 27 122.178 -2.916 -3.124 1.00 0.24 N ATOM 391 CA GLY A 27 121.328 -3.729 -4.039 1.00 0.28 C ATOM 392 C GLY A 27 121.690 -3.409 -5.489 1.00 0.28 C ATOM 393 O GLY A 27 122.533 -2.578 -5.765 1.00 0.27 O ATOM 0 H GLY A 27 121.820 -1.985 -2.909 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.475 -4.791 -3.842 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.274 -3.515 -3.860 1.00 0.28 H new ATOM 397 N GLU A 28 121.067 -4.076 -6.416 1.00 0.30 N ATOM 398 CA GLU A 28 121.386 -3.824 -7.849 1.00 0.32 C ATOM 399 C GLU A 28 121.176 -2.343 -8.176 1.00 0.32 C ATOM 400 O GLU A 28 121.942 -1.748 -8.907 1.00 0.34 O ATOM 401 CB GLU A 28 120.481 -4.682 -8.733 1.00 0.36 C ATOM 402 CG GLU A 28 120.884 -6.152 -8.594 1.00 0.39 C ATOM 403 CD GLU A 28 119.983 -7.018 -9.476 1.00 1.28 C ATOM 404 OE1 GLU A 28 119.007 -6.496 -9.986 1.00 2.01 O ATOM 405 OE2 GLU A 28 120.282 -8.192 -9.621 1.00 1.65 O ATOM 0 H GLU A 28 120.352 -4.783 -6.246 1.00 0.30 H new ATOM 0 HA GLU A 28 122.427 -4.085 -8.037 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.439 -4.550 -8.443 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.565 -4.367 -9.773 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.927 -6.282 -8.884 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.801 -6.465 -7.553 1.00 0.39 H new ATOM 412 N VAL A 29 120.144 -1.741 -7.654 1.00 0.31 N ATOM 413 CA VAL A 29 119.898 -0.301 -7.955 1.00 0.33 C ATOM 414 C VAL A 29 121.014 0.552 -7.346 1.00 0.33 C ATOM 415 O VAL A 29 121.539 1.448 -7.978 1.00 0.35 O ATOM 416 CB VAL A 29 118.544 0.113 -7.368 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.382 1.634 -7.448 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.422 -0.562 -8.160 1.00 0.35 C ATOM 0 H VAL A 29 119.463 -2.180 -7.035 1.00 0.31 H new ATOM 0 HA VAL A 29 119.886 -0.149 -9.034 1.00 0.33 H new ATOM 0 HB VAL A 29 118.495 -0.196 -6.324 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.417 1.920 -7.029 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.180 2.115 -6.883 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.433 1.951 -8.490 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.457 -0.270 -7.745 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.477 -0.253 -9.204 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.532 -1.645 -8.096 1.00 0.35 H new ATOM 428 N LEU A 30 121.378 0.290 -6.120 1.00 0.32 N ATOM 429 CA LEU A 30 122.452 1.092 -5.470 1.00 0.32 C ATOM 430 C LEU A 30 123.782 0.830 -6.174 1.00 0.32 C ATOM 431 O LEU A 30 124.588 1.721 -6.354 1.00 0.33 O ATOM 432 CB LEU A 30 122.571 0.700 -3.994 1.00 0.32 C ATOM 433 CG LEU A 30 121.269 1.032 -3.254 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.366 0.519 -1.814 1.00 0.36 C ATOM 435 CD2 LEU A 30 121.030 2.556 -3.246 1.00 0.40 C ATOM 0 H LEU A 30 120.977 -0.447 -5.540 1.00 0.32 H new ATOM 0 HA LEU A 30 122.203 2.151 -5.543 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.785 -0.365 -3.909 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.405 1.231 -3.535 1.00 0.32 H new ATOM 0 HG LEU A 30 120.435 0.551 -3.764 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.444 0.752 -1.282 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.518 -0.560 -1.822 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.206 1.000 -1.312 1.00 0.36 H new ATOM 0 HD21 LEU A 30 120.102 2.776 -2.717 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.860 3.052 -2.743 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.958 2.918 -4.271 1.00 0.40 H new ATOM 447 N GLY A 31 124.015 -0.385 -6.576 1.00 0.33 N ATOM 448 CA GLY A 31 125.292 -0.699 -7.272 1.00 0.34 C ATOM 449 C GLY A 31 125.396 0.154 -8.536 1.00 0.35 C ATOM 450 O GLY A 31 126.450 0.654 -8.876 1.00 0.35 O ATOM 0 H GLY A 31 123.379 -1.173 -6.454 1.00 0.33 H new ATOM 0 HA2 GLY A 31 126.138 -0.500 -6.614 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.330 -1.758 -7.529 1.00 0.34 H new ATOM 454 N LYS A 32 124.308 0.324 -9.237 1.00 0.35 N ATOM 455 CA LYS A 32 124.341 1.145 -10.480 1.00 0.37 C ATOM 456 C LYS A 32 124.683 2.598 -10.141 1.00 0.36 C ATOM 457 O LYS A 32 125.417 3.250 -10.859 1.00 0.38 O ATOM 458 CB LYS A 32 122.975 1.097 -11.163 1.00 0.39 C ATOM 459 CG LYS A 32 123.022 1.938 -12.443 1.00 1.18 C ATOM 460 CD LYS A 32 121.753 1.706 -13.269 1.00 1.37 C ATOM 461 CE LYS A 32 120.517 2.127 -12.467 1.00 2.06 C ATOM 462 NZ LYS A 32 120.142 1.038 -11.521 1.00 2.74 N ATOM 0 H LYS A 32 123.397 -0.071 -9.002 1.00 0.35 H new ATOM 0 HA LYS A 32 125.102 0.742 -11.149 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.710 0.067 -11.400 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.206 1.478 -10.491 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.114 2.994 -12.191 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.901 1.673 -13.030 1.00 1.18 H new ATOM 0 HD2 LYS A 32 121.805 2.275 -14.197 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.676 0.654 -13.544 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.723 3.045 -11.917 1.00 2.06 H new ATOM 0 HE3 LYS A 32 119.687 2.338 -13.142 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 119.140 0.793 -11.653 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 120.730 0.200 -11.705 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 120.294 1.359 -10.544 1.00 2.74 H new ATOM 476 N LYS A 33 124.153 3.125 -9.069 1.00 0.35 N ATOM 477 CA LYS A 33 124.452 4.544 -8.722 1.00 0.36 C ATOM 478 C LYS A 33 125.932 4.683 -8.359 1.00 0.34 C ATOM 479 O LYS A 33 126.622 5.547 -8.863 1.00 0.36 O ATOM 480 CB LYS A 33 123.588 4.971 -7.534 1.00 0.36 C ATOM 481 CG LYS A 33 122.127 5.077 -7.980 1.00 0.39 C ATOM 482 CD LYS A 33 121.259 5.504 -6.792 1.00 0.64 C ATOM 483 CE LYS A 33 119.798 5.614 -7.233 1.00 0.65 C ATOM 484 NZ LYS A 33 119.607 6.881 -7.994 1.00 1.54 N ATOM 0 H LYS A 33 123.531 2.638 -8.424 1.00 0.35 H new ATOM 0 HA LYS A 33 124.231 5.181 -9.578 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.681 4.248 -6.724 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.932 5.930 -7.146 1.00 0.36 H new ATOM 0 HG2 LYS A 33 122.035 5.801 -8.790 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.784 4.118 -8.368 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.351 4.779 -5.983 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.604 6.462 -6.403 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.528 4.759 -7.854 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.141 5.596 -6.363 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.594 7.026 -8.178 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.976 7.679 -7.438 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 120.118 6.823 -8.898 1.00 1.54 H new ATOM 498 N LEU A 34 126.435 3.830 -7.514 1.00 0.32 N ATOM 499 CA LEU A 34 127.878 3.911 -7.158 1.00 0.31 C ATOM 500 C LEU A 34 128.694 3.714 -8.440 1.00 0.31 C ATOM 501 O LEU A 34 129.715 4.336 -8.654 1.00 0.33 O ATOM 502 CB LEU A 34 128.222 2.824 -6.133 1.00 0.29 C ATOM 503 CG LEU A 34 127.442 3.060 -4.833 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.618 1.846 -3.916 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.957 4.328 -4.120 1.00 0.34 C ATOM 0 H LEU A 34 125.913 3.083 -7.056 1.00 0.32 H new ATOM 0 HA LEU A 34 128.109 4.880 -6.716 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.980 1.841 -6.538 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.293 2.830 -5.930 1.00 0.29 H new ATOM 0 HG LEU A 34 126.387 3.198 -5.068 1.00 0.30 H new ATOM 0 HD11 LEU A 34 127.066 2.007 -2.990 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.238 0.955 -4.415 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.676 1.711 -3.690 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.394 4.482 -3.200 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.014 4.208 -3.883 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.827 5.191 -4.773 1.00 0.34 H new ATOM 517 N GLU A 35 128.234 2.837 -9.288 1.00 0.32 N ATOM 518 CA GLU A 35 128.961 2.572 -10.566 1.00 0.34 C ATOM 519 C GLU A 35 129.041 3.867 -11.379 1.00 0.37 C ATOM 520 O GLU A 35 130.063 4.195 -11.949 1.00 0.39 O ATOM 521 CB GLU A 35 128.200 1.506 -11.363 1.00 0.35 C ATOM 522 CG GLU A 35 128.932 1.203 -12.674 1.00 0.93 C ATOM 523 CD GLU A 35 128.157 0.138 -13.453 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.203 -0.390 -12.908 1.00 1.36 O ATOM 525 OE2 GLU A 35 128.531 -0.129 -14.584 1.00 1.67 O ATOM 0 H GLU A 35 127.384 2.290 -9.153 1.00 0.32 H new ATOM 0 HA GLU A 35 129.969 2.217 -10.354 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.108 0.596 -10.771 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.188 1.853 -11.574 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.024 2.111 -13.270 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.944 0.854 -12.467 1.00 0.93 H new ATOM 532 N GLU A 36 127.970 4.607 -11.429 1.00 0.39 N ATOM 533 CA GLU A 36 127.971 5.887 -12.190 1.00 0.43 C ATOM 534 C GLU A 36 128.919 6.868 -11.499 1.00 0.45 C ATOM 535 O GLU A 36 129.357 7.847 -12.071 1.00 0.49 O ATOM 536 CB GLU A 36 126.551 6.460 -12.215 1.00 0.45 C ATOM 537 CG GLU A 36 126.506 7.704 -13.105 1.00 1.12 C ATOM 538 CD GLU A 36 125.080 8.257 -13.134 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.192 7.577 -12.644 1.00 1.86 O ATOM 540 OE2 GLU A 36 124.899 9.349 -13.647 1.00 2.00 O ATOM 0 H GLU A 36 127.087 4.379 -10.972 1.00 0.39 H new ATOM 0 HA GLU A 36 128.304 5.718 -13.214 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.854 5.710 -12.588 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.234 6.714 -11.203 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.193 8.460 -12.726 1.00 1.12 H new ATOM 0 HG3 GLU A 36 126.832 7.454 -14.115 1.00 1.12 H new ATOM 547 N ARG A 37 129.219 6.612 -10.256 1.00 0.42 N ATOM 548 CA ARG A 37 130.118 7.524 -9.490 1.00 0.45 C ATOM 549 C ARG A 37 131.582 7.079 -9.640 1.00 0.42 C ATOM 550 O ARG A 37 132.474 7.697 -9.092 1.00 0.43 O ATOM 551 CB ARG A 37 129.726 7.490 -8.008 1.00 0.45 C ATOM 552 CG ARG A 37 128.329 8.096 -7.802 1.00 0.53 C ATOM 553 CD ARG A 37 128.396 9.630 -7.790 1.00 0.86 C ATOM 554 NE ARG A 37 127.067 10.171 -7.391 1.00 1.42 N ATOM 555 CZ ARG A 37 126.957 11.408 -6.988 1.00 1.88 C ATOM 556 NH1 ARG A 37 128.014 12.170 -6.914 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.788 11.880 -6.654 1.00 2.69 N ATOM 0 H ARG A 37 128.878 5.805 -9.733 1.00 0.42 H new ATOM 0 HA ARG A 37 130.015 8.537 -9.880 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.739 6.462 -7.647 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.458 8.043 -7.420 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.662 7.763 -8.597 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.908 7.739 -6.862 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.164 9.968 -7.094 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.673 10.002 -8.776 1.00 0.86 H new ATOM 0 HE ARG A 37 126.241 9.574 -7.433 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.929 11.800 -7.171 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.925 13.136 -6.599 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.963 11.283 -6.708 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.699 12.846 -6.339 1.00 2.69 H new ATOM 571 N GLY A 38 131.848 6.040 -10.402 1.00 0.40 N ATOM 572 CA GLY A 38 133.269 5.597 -10.611 1.00 0.39 C ATOM 573 C GLY A 38 133.598 4.347 -9.784 1.00 0.37 C ATOM 574 O GLY A 38 134.735 3.920 -9.742 1.00 0.48 O ATOM 0 H GLY A 38 131.146 5.481 -10.887 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.434 5.389 -11.668 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.947 6.405 -10.336 1.00 0.39 H new ATOM 578 N PHE A 39 132.631 3.747 -9.138 1.00 0.31 N ATOM 579 CA PHE A 39 132.904 2.515 -8.325 1.00 0.28 C ATOM 580 C PHE A 39 132.329 1.294 -9.054 1.00 0.28 C ATOM 581 O PHE A 39 131.278 0.793 -8.707 1.00 0.28 O ATOM 582 CB PHE A 39 132.212 2.658 -6.973 1.00 0.27 C ATOM 583 CG PHE A 39 132.863 3.760 -6.174 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.401 5.073 -6.301 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.919 3.472 -5.302 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.995 6.101 -5.560 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.515 4.500 -4.561 1.00 0.30 C ATOM 588 CZ PHE A 39 134.054 5.814 -4.690 1.00 0.32 C ATOM 0 H PHE A 39 131.659 4.056 -9.136 1.00 0.31 H new ATOM 0 HA PHE A 39 133.978 2.389 -8.186 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.154 2.879 -7.118 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.269 1.718 -6.425 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.584 5.295 -6.972 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.274 2.457 -5.201 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.637 7.115 -5.659 1.00 0.33 H new ATOM 0 HE2 PHE A 39 135.331 4.278 -3.889 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.514 6.607 -4.119 1.00 0.32 H new ATOM 598 N ASP A 40 132.991 0.838 -10.082 1.00 0.30 N ATOM 599 CA ASP A 40 132.450 -0.322 -10.853 1.00 0.31 C ATOM 600 C ASP A 40 132.724 -1.643 -10.129 1.00 0.29 C ATOM 601 O ASP A 40 132.247 -2.682 -10.538 1.00 0.30 O ATOM 602 CB ASP A 40 133.107 -0.362 -12.236 1.00 0.35 C ATOM 603 CG ASP A 40 134.594 -0.690 -12.090 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.118 -0.503 -11.004 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.184 -1.124 -13.066 1.00 0.41 O ATOM 0 H ASP A 40 133.877 1.214 -10.421 1.00 0.30 H new ATOM 0 HA ASP A 40 131.371 -0.197 -10.949 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.619 -1.111 -12.860 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.984 0.599 -12.736 1.00 0.35 H new ATOM 610 N LYS A 41 133.485 -1.622 -9.064 1.00 0.28 N ATOM 611 CA LYS A 41 133.782 -2.893 -8.325 1.00 0.28 C ATOM 612 C LYS A 41 133.713 -2.664 -6.814 1.00 0.23 C ATOM 613 O LYS A 41 133.796 -1.551 -6.333 1.00 0.23 O ATOM 614 CB LYS A 41 135.163 -3.402 -8.735 1.00 0.34 C ATOM 615 CG LYS A 41 135.096 -3.896 -10.182 1.00 0.48 C ATOM 616 CD LYS A 41 136.465 -4.411 -10.615 1.00 0.74 C ATOM 617 CE LYS A 41 136.397 -4.913 -12.057 1.00 0.71 C ATOM 618 NZ LYS A 41 137.774 -5.219 -12.538 1.00 1.56 N ATOM 0 H LYS A 41 133.914 -0.783 -8.673 1.00 0.28 H new ATOM 0 HA LYS A 41 133.035 -3.644 -8.581 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.902 -2.606 -8.642 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.479 -4.209 -8.075 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.354 -4.689 -10.271 1.00 0.48 H new ATOM 0 HG3 LYS A 41 134.778 -3.086 -10.838 1.00 0.48 H new ATOM 0 HD2 LYS A 41 137.206 -3.616 -10.532 1.00 0.74 H new ATOM 0 HD3 LYS A 41 136.786 -5.216 -9.955 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.773 -5.805 -12.115 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.936 -4.159 -12.695 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.720 -5.790 -13.406 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 138.277 -4.331 -12.739 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 138.288 -5.750 -11.806 1.00 1.56 H new ATOM 632 N ALA A 42 133.526 -3.722 -6.071 1.00 0.21 N ATOM 633 CA ALA A 42 133.406 -3.609 -4.589 1.00 0.20 C ATOM 634 C ALA A 42 134.718 -3.167 -3.937 1.00 0.18 C ATOM 635 O ALA A 42 134.711 -2.408 -2.988 1.00 0.18 O ATOM 636 CB ALA A 42 133.000 -4.969 -4.020 1.00 0.21 C ATOM 0 H ALA A 42 133.450 -4.672 -6.434 1.00 0.21 H new ATOM 0 HA ALA A 42 132.653 -2.852 -4.370 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.909 -4.898 -2.936 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.043 -5.270 -4.445 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.758 -5.710 -4.273 1.00 0.21 H new ATOM 642 N TYR A 43 135.843 -3.654 -4.386 1.00 0.19 N ATOM 643 CA TYR A 43 137.118 -3.271 -3.717 1.00 0.18 C ATOM 644 C TYR A 43 137.334 -1.758 -3.835 1.00 0.17 C ATOM 645 O TYR A 43 138.081 -1.171 -3.077 1.00 0.17 O ATOM 646 CB TYR A 43 138.304 -4.057 -4.303 1.00 0.20 C ATOM 647 CG TYR A 43 138.822 -3.434 -5.577 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.657 -2.315 -5.504 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.507 -3.991 -6.821 1.00 0.24 C ATOM 650 CE1 TYR A 43 140.179 -1.751 -6.669 1.00 0.25 C ATOM 651 CE2 TYR A 43 139.026 -3.422 -7.990 1.00 0.28 C ATOM 652 CZ TYR A 43 139.863 -2.303 -7.915 1.00 0.28 C ATOM 653 OH TYR A 43 140.379 -1.747 -9.069 1.00 0.32 O ATOM 0 H TYR A 43 135.934 -4.292 -5.177 1.00 0.19 H new ATOM 0 HA TYR A 43 137.053 -3.527 -2.659 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.108 -4.101 -3.568 1.00 0.20 H new ATOM 0 HB3 TYR A 43 137.996 -5.084 -4.501 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.899 -1.886 -4.543 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.865 -4.858 -6.879 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.827 -0.889 -6.609 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.780 -3.847 -8.952 1.00 0.28 H new ATOM 0 HH TYR A 43 140.061 -2.253 -9.846 1.00 0.32 H new ATOM 663 N VAL A 44 136.666 -1.114 -4.753 1.00 0.18 N ATOM 664 CA VAL A 44 136.818 0.365 -4.875 1.00 0.18 C ATOM 665 C VAL A 44 135.945 1.015 -3.798 1.00 0.17 C ATOM 666 O VAL A 44 136.252 2.060 -3.254 1.00 0.18 O ATOM 667 CB VAL A 44 136.358 0.824 -6.261 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.712 2.306 -6.465 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.050 -0.022 -7.333 1.00 0.24 C ATOM 0 H VAL A 44 136.025 -1.544 -5.420 1.00 0.18 H new ATOM 0 HA VAL A 44 137.862 0.652 -4.746 1.00 0.18 H new ATOM 0 HB VAL A 44 135.278 0.701 -6.341 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.382 2.626 -7.453 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.215 2.907 -5.704 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.791 2.437 -6.383 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.723 0.304 -8.321 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.130 0.098 -7.250 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.790 -1.071 -7.193 1.00 0.24 H new ATOM 679 N VAL A 45 134.855 0.364 -3.488 1.00 0.17 N ATOM 680 CA VAL A 45 133.929 0.883 -2.443 1.00 0.17 C ATOM 681 C VAL A 45 134.530 0.564 -1.078 1.00 0.16 C ATOM 682 O VAL A 45 134.471 1.360 -0.161 1.00 0.16 O ATOM 683 CB VAL A 45 132.554 0.220 -2.583 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.675 0.603 -1.386 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.885 0.688 -3.885 1.00 0.20 C ATOM 0 H VAL A 45 134.565 -0.514 -3.919 1.00 0.17 H new ATOM 0 HA VAL A 45 133.800 1.960 -2.554 1.00 0.17 H new ATOM 0 HB VAL A 45 132.676 -0.863 -2.610 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.698 0.131 -1.487 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.148 0.265 -0.464 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.554 1.686 -1.355 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.908 0.215 -3.982 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.764 1.771 -3.863 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.509 0.410 -4.735 1.00 0.20 H new ATOM 695 N LEU A 46 135.148 -0.576 -0.945 1.00 0.17 N ATOM 696 CA LEU A 46 135.798 -0.914 0.348 1.00 0.18 C ATOM 697 C LEU A 46 136.847 0.159 0.613 1.00 0.17 C ATOM 698 O LEU A 46 137.090 0.557 1.736 1.00 0.18 O ATOM 699 CB LEU A 46 136.459 -2.299 0.247 1.00 0.22 C ATOM 700 CG LEU A 46 137.383 -2.562 1.447 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.615 -2.412 2.763 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.926 -3.989 1.352 1.00 0.35 C ATOM 0 H LEU A 46 135.230 -1.285 -1.674 1.00 0.17 H new ATOM 0 HA LEU A 46 135.072 -0.947 1.160 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.690 -3.070 0.201 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.032 -2.365 -0.678 1.00 0.22 H new ATOM 0 HG LEU A 46 138.198 -1.839 1.429 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.287 -2.602 3.600 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.218 -1.400 2.839 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.793 -3.127 2.788 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.583 -4.185 2.199 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.096 -4.696 1.365 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.486 -4.104 0.424 1.00 0.35 H new ATOM 714 N GLY A 47 137.469 0.630 -0.435 1.00 0.17 N ATOM 715 CA GLY A 47 138.510 1.680 -0.299 1.00 0.18 C ATOM 716 C GLY A 47 137.914 2.934 0.335 1.00 0.18 C ATOM 717 O GLY A 47 138.513 3.547 1.195 1.00 0.18 O ATOM 0 H GLY A 47 137.294 0.324 -1.392 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.332 1.310 0.313 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.924 1.920 -1.278 1.00 0.18 H new ATOM 721 N GLN A 48 136.741 3.328 -0.080 1.00 0.17 N ATOM 722 CA GLN A 48 136.130 4.550 0.507 1.00 0.18 C ATOM 723 C GLN A 48 135.956 4.347 2.015 1.00 0.17 C ATOM 724 O GLN A 48 136.214 5.233 2.806 1.00 0.18 O ATOM 725 CB GLN A 48 134.770 4.804 -0.144 1.00 0.19 C ATOM 726 CG GLN A 48 134.292 6.215 0.201 1.00 0.22 C ATOM 727 CD GLN A 48 135.169 7.245 -0.514 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.330 7.193 -1.717 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.750 8.185 0.181 1.00 1.09 N ATOM 0 H GLN A 48 136.184 2.859 -0.795 1.00 0.17 H new ATOM 0 HA GLN A 48 136.776 5.410 0.328 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.846 4.689 -1.225 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.045 4.068 0.205 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.251 6.340 -0.097 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.336 6.371 1.279 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.615 8.230 1.191 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.338 8.875 -0.286 1.00 1.09 H new ATOM 738 N PHE A 49 135.543 3.176 2.420 1.00 0.17 N ATOM 739 CA PHE A 49 135.380 2.899 3.877 1.00 0.17 C ATOM 740 C PHE A 49 136.732 3.084 4.564 1.00 0.18 C ATOM 741 O PHE A 49 136.831 3.638 5.641 1.00 0.19 O ATOM 742 CB PHE A 49 134.904 1.457 4.061 1.00 0.17 C ATOM 743 CG PHE A 49 134.786 1.140 5.531 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.583 1.370 6.208 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.884 0.608 6.216 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.479 1.067 7.572 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.782 0.307 7.578 1.00 0.31 C ATOM 748 CZ PHE A 49 134.579 0.535 8.257 1.00 0.26 C ATOM 0 H PHE A 49 135.311 2.397 1.803 1.00 0.17 H new ATOM 0 HA PHE A 49 134.649 3.580 4.312 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.940 1.318 3.571 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.605 0.770 3.587 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.735 1.781 5.679 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.812 0.430 5.692 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.551 1.244 8.095 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.631 -0.101 8.106 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.499 0.301 9.308 1.00 0.26 H new ATOM 758 N LEU A 50 137.767 2.620 3.940 1.00 0.19 N ATOM 759 CA LEU A 50 139.120 2.760 4.539 1.00 0.21 C ATOM 760 C LEU A 50 139.528 4.244 4.498 1.00 0.21 C ATOM 761 O LEU A 50 140.120 4.758 5.426 1.00 0.23 O ATOM 762 CB LEU A 50 140.106 1.885 3.748 1.00 0.23 C ATOM 763 CG LEU A 50 139.693 0.401 3.835 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.474 -0.415 2.793 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.993 -0.163 5.233 1.00 0.28 C ATOM 0 H LEU A 50 137.739 2.147 3.037 1.00 0.19 H new ATOM 0 HA LEU A 50 139.124 2.429 5.578 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.129 2.203 2.706 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.114 2.013 4.143 1.00 0.23 H new ATOM 0 HG LEU A 50 138.623 0.331 3.642 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.180 -1.463 2.857 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.254 -0.036 1.795 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.543 -0.325 2.987 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.695 -1.211 5.274 1.00 0.28 H new ATOM 0 HD22 LEU A 50 141.061 -0.081 5.437 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.437 0.402 5.981 1.00 0.28 H new ATOM 777 N VAL A 51 139.225 4.930 3.427 1.00 0.21 N ATOM 778 CA VAL A 51 139.600 6.379 3.318 1.00 0.23 C ATOM 779 C VAL A 51 138.790 7.227 4.316 1.00 0.23 C ATOM 780 O VAL A 51 139.209 8.296 4.715 1.00 0.24 O ATOM 781 CB VAL A 51 139.333 6.872 1.888 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.469 8.399 1.822 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.347 6.237 0.934 1.00 0.27 C ATOM 0 H VAL A 51 138.732 4.551 2.618 1.00 0.21 H new ATOM 0 HA VAL A 51 140.659 6.484 3.553 1.00 0.23 H new ATOM 0 HB VAL A 51 138.321 6.588 1.599 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.278 8.738 0.804 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.748 8.858 2.499 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.478 8.688 2.117 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.159 6.586 -0.081 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.356 6.520 1.234 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.249 5.152 0.969 1.00 0.27 H new ATOM 793 N LEU A 52 137.631 6.768 4.705 1.00 0.22 N ATOM 794 CA LEU A 52 136.797 7.568 5.662 1.00 0.23 C ATOM 795 C LEU A 52 137.150 7.186 7.101 1.00 0.23 C ATOM 796 O LEU A 52 136.430 7.492 8.029 1.00 0.24 O ATOM 797 CB LEU A 52 135.307 7.316 5.403 1.00 0.24 C ATOM 798 CG LEU A 52 134.885 7.944 4.060 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.423 7.585 3.772 1.00 0.31 C ATOM 800 CD2 LEU A 52 135.033 9.482 4.109 1.00 0.27 C ATOM 0 H LEU A 52 137.224 5.881 4.407 1.00 0.22 H new ATOM 0 HA LEU A 52 137.004 8.628 5.512 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.109 6.244 5.389 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.713 7.739 6.213 1.00 0.24 H new ATOM 0 HG LEU A 52 135.529 7.555 3.272 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.120 8.027 2.823 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.318 6.501 3.717 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.789 7.971 4.571 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.730 9.907 3.152 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.400 9.883 4.901 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.073 9.741 4.309 1.00 0.27 H new ATOM 812 N LYS A 53 138.263 6.539 7.295 1.00 0.22 N ATOM 813 CA LYS A 53 138.680 6.157 8.674 1.00 0.23 C ATOM 814 C LYS A 53 137.548 5.415 9.394 1.00 0.24 C ATOM 815 O LYS A 53 137.259 5.684 10.542 1.00 0.30 O ATOM 816 CB LYS A 53 139.040 7.414 9.469 1.00 0.29 C ATOM 817 CG LYS A 53 140.314 8.034 8.893 1.00 0.38 C ATOM 818 CD LYS A 53 140.726 9.246 9.739 1.00 0.49 C ATOM 819 CE LYS A 53 139.656 10.348 9.655 1.00 0.90 C ATOM 820 NZ LYS A 53 138.642 10.137 10.727 1.00 1.70 N ATOM 0 H LYS A 53 138.906 6.256 6.555 1.00 0.22 H new ATOM 0 HA LYS A 53 139.547 5.500 8.603 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.221 8.132 9.425 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.188 7.163 10.519 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.116 7.296 8.882 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.147 8.339 7.860 1.00 0.38 H new ATOM 0 HD2 LYS A 53 140.864 8.943 10.777 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.683 9.633 9.390 1.00 0.49 H new ATOM 0 HE2 LYS A 53 140.119 11.329 9.765 1.00 0.90 H new ATOM 0 HE3 LYS A 53 139.176 10.330 8.677 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 137.748 9.818 10.302 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 138.986 9.416 11.393 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 138.484 11.030 11.236 1.00 1.70 H new ATOM 834 N LYS A 54 136.904 4.479 8.737 1.00 0.22 N ATOM 835 CA LYS A 54 135.788 3.699 9.359 1.00 0.25 C ATOM 836 C LYS A 54 134.883 4.593 10.206 1.00 0.27 C ATOM 837 O LYS A 54 134.121 4.108 11.018 1.00 0.33 O ATOM 838 CB LYS A 54 136.348 2.554 10.227 1.00 0.35 C ATOM 839 CG LYS A 54 137.201 3.097 11.385 1.00 0.67 C ATOM 840 CD LYS A 54 137.577 1.948 12.321 1.00 0.83 C ATOM 841 CE LYS A 54 138.408 2.492 13.485 1.00 1.41 C ATOM 842 NZ LYS A 54 138.822 1.366 14.369 1.00 2.24 N ATOM 0 H LYS A 54 137.111 4.218 7.773 1.00 0.22 H new ATOM 0 HA LYS A 54 135.192 3.279 8.549 1.00 0.25 H new ATOM 0 HB2 LYS A 54 135.525 1.961 10.626 1.00 0.35 H new ATOM 0 HB3 LYS A 54 136.951 1.888 9.610 1.00 0.35 H new ATOM 0 HG2 LYS A 54 138.101 3.573 10.996 1.00 0.67 H new ATOM 0 HG3 LYS A 54 136.648 3.860 11.932 1.00 0.67 H new ATOM 0 HD2 LYS A 54 136.677 1.462 12.698 1.00 0.83 H new ATOM 0 HD3 LYS A 54 138.144 1.192 11.777 1.00 0.83 H new ATOM 0 HE2 LYS A 54 139.287 3.013 13.106 1.00 1.41 H new ATOM 0 HE3 LYS A 54 137.827 3.219 14.052 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 139.387 1.735 15.160 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 137.977 0.888 14.741 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.392 0.688 13.824 1.00 2.24 H new ATOM 856 N ASP A 55 134.911 5.879 10.013 1.00 0.29 N ATOM 857 CA ASP A 55 133.989 6.732 10.811 1.00 0.39 C ATOM 858 C ASP A 55 132.564 6.389 10.360 1.00 0.37 C ATOM 859 O ASP A 55 132.205 6.573 9.213 1.00 0.37 O ATOM 860 CB ASP A 55 134.286 8.207 10.549 1.00 0.46 C ATOM 861 CG ASP A 55 135.571 8.607 11.276 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.770 8.140 12.385 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.327 9.384 10.716 1.00 1.55 O ATOM 0 H ASP A 55 135.516 6.369 9.354 1.00 0.29 H new ATOM 0 HA ASP A 55 134.112 6.552 11.879 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.392 8.383 9.478 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.455 8.823 10.893 1.00 0.46 H new ATOM 868 N GLU A 56 131.769 5.845 11.239 1.00 0.38 N ATOM 869 CA GLU A 56 130.384 5.430 10.860 1.00 0.37 C ATOM 870 C GLU A 56 129.509 6.612 10.418 1.00 0.38 C ATOM 871 O GLU A 56 128.739 6.497 9.490 1.00 0.37 O ATOM 872 CB GLU A 56 129.733 4.737 12.061 1.00 0.39 C ATOM 873 CG GLU A 56 128.338 4.234 11.680 1.00 0.41 C ATOM 874 CD GLU A 56 127.753 3.425 12.839 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.479 3.179 13.788 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.590 3.065 12.757 1.00 0.85 O ATOM 0 H GLU A 56 132.019 5.668 12.212 1.00 0.38 H new ATOM 0 HA GLU A 56 130.461 4.754 10.008 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.352 3.903 12.390 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.663 5.431 12.898 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.687 5.077 11.446 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.395 3.616 10.784 1.00 0.41 H new ATOM 883 N ASP A 57 129.594 7.738 11.068 1.00 0.40 N ATOM 884 CA ASP A 57 128.726 8.885 10.659 1.00 0.41 C ATOM 885 C ASP A 57 129.182 9.433 9.308 1.00 0.40 C ATOM 886 O ASP A 57 128.377 9.771 8.463 1.00 0.40 O ATOM 887 CB ASP A 57 128.821 9.995 11.708 1.00 0.45 C ATOM 888 CG ASP A 57 128.126 9.546 12.995 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.321 8.633 12.923 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.411 10.125 14.031 1.00 0.73 O ATOM 0 H ASP A 57 130.217 7.917 11.855 1.00 0.40 H new ATOM 0 HA ASP A 57 127.696 8.538 10.577 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.866 10.230 11.910 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.357 10.906 11.331 1.00 0.45 H new ATOM 895 N LEU A 58 130.455 9.513 9.089 1.00 0.40 N ATOM 896 CA LEU A 58 130.933 10.028 7.778 1.00 0.40 C ATOM 897 C LEU A 58 130.632 8.993 6.694 1.00 0.37 C ATOM 898 O LEU A 58 130.215 9.324 5.603 1.00 0.38 O ATOM 899 CB LEU A 58 132.436 10.306 7.832 1.00 0.40 C ATOM 900 CG LEU A 58 132.736 11.359 8.910 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.252 11.549 9.023 1.00 0.45 C ATOM 902 CD2 LEU A 58 132.073 12.700 8.540 1.00 0.55 C ATOM 0 H LEU A 58 131.184 9.248 9.751 1.00 0.40 H new ATOM 0 HA LEU A 58 130.418 10.961 7.548 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.977 9.385 8.050 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.784 10.658 6.861 1.00 0.40 H new ATOM 0 HG LEU A 58 132.335 11.019 9.865 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.469 12.296 9.787 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.718 10.603 9.298 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.649 11.884 8.065 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.292 13.439 9.311 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.463 13.047 7.583 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.994 12.564 8.464 1.00 0.55 H new ATOM 914 N PHE A 59 130.816 7.737 6.998 1.00 0.36 N ATOM 915 CA PHE A 59 130.512 6.678 5.997 1.00 0.35 C ATOM 916 C PHE A 59 129.025 6.709 5.659 1.00 0.35 C ATOM 917 O PHE A 59 128.635 6.703 4.508 1.00 0.35 O ATOM 918 CB PHE A 59 130.884 5.305 6.563 1.00 0.34 C ATOM 919 CG PHE A 59 130.509 4.236 5.564 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.431 3.828 4.594 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.236 3.654 5.610 1.00 0.36 C ATOM 922 CE1 PHE A 59 131.080 2.838 3.668 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.886 2.664 4.685 1.00 0.38 C ATOM 924 CZ PHE A 59 129.808 2.256 3.714 1.00 0.36 C ATOM 0 H PHE A 59 131.163 7.400 7.896 1.00 0.36 H new ATOM 0 HA PHE A 59 131.093 6.860 5.093 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.953 5.263 6.774 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.366 5.135 7.507 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.413 4.276 4.559 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.525 3.969 6.359 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.791 2.524 2.918 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.905 2.215 4.720 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.538 1.492 3.000 1.00 0.36 H new ATOM 934 N ARG A 60 128.189 6.719 6.661 1.00 0.37 N ATOM 935 CA ARG A 60 126.724 6.723 6.412 1.00 0.38 C ATOM 936 C ARG A 60 126.302 7.953 5.609 1.00 0.39 C ATOM 937 O ARG A 60 125.555 7.847 4.658 1.00 0.39 O ATOM 938 CB ARG A 60 125.986 6.706 7.751 1.00 0.42 C ATOM 939 CG ARG A 60 126.153 5.336 8.415 1.00 0.43 C ATOM 940 CD ARG A 60 125.509 5.366 9.800 1.00 0.50 C ATOM 941 NE ARG A 60 124.037 5.525 9.645 1.00 1.31 N ATOM 942 CZ ARG A 60 123.245 5.342 10.664 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.743 5.060 11.837 1.00 1.16 N ATOM 944 NH2 ARG A 60 121.954 5.448 10.511 1.00 2.64 N ATOM 0 H ARG A 60 128.461 6.725 7.644 1.00 0.37 H new ATOM 0 HA ARG A 60 126.469 5.836 5.831 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.377 7.487 8.403 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.928 6.920 7.597 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.690 4.563 7.802 1.00 0.43 H new ATOM 0 HG3 ARG A 60 127.211 5.086 8.498 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.734 4.446 10.340 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.917 6.188 10.388 1.00 0.50 H new ATOM 0 HE ARG A 60 123.646 5.778 8.737 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.753 4.983 11.957 1.00 1.16 H new ATOM 0 HH12 ARG A 60 123.122 4.917 12.634 1.00 1.16 H new ATOM 0 HH21 ARG A 60 121.566 5.674 9.595 1.00 2.64 H new ATOM 0 HH22 ARG A 60 121.333 5.305 11.307 1.00 2.64 H new ATOM 958 N GLU A 61 126.763 9.121 5.967 1.00 0.41 N ATOM 959 CA GLU A 61 126.361 10.328 5.195 1.00 0.44 C ATOM 960 C GLU A 61 126.924 10.219 3.775 1.00 0.42 C ATOM 961 O GLU A 61 126.296 10.628 2.818 1.00 0.42 O ATOM 962 CB GLU A 61 126.918 11.587 5.868 1.00 0.48 C ATOM 963 CG GLU A 61 126.194 11.828 7.196 1.00 1.29 C ATOM 964 CD GLU A 61 124.734 12.200 6.930 1.00 1.76 C ATOM 965 OE1 GLU A 61 124.467 12.761 5.881 1.00 2.37 O ATOM 966 OE2 GLU A 61 123.908 11.918 7.783 1.00 2.32 O ATOM 0 H GLU A 61 127.393 9.289 6.751 1.00 0.41 H new ATOM 0 HA GLU A 61 125.274 10.394 5.162 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.988 11.475 6.042 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.790 12.448 5.212 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.244 10.933 7.816 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.687 12.627 7.750 1.00 1.29 H new ATOM 973 N TRP A 62 128.099 9.676 3.629 1.00 0.40 N ATOM 974 CA TRP A 62 128.692 9.551 2.266 1.00 0.38 C ATOM 975 C TRP A 62 127.848 8.630 1.381 1.00 0.36 C ATOM 976 O TRP A 62 127.537 8.954 0.254 1.00 0.36 O ATOM 977 CB TRP A 62 130.115 8.972 2.363 1.00 0.38 C ATOM 978 CG TRP A 62 130.604 8.634 0.985 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.162 9.510 0.120 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.558 7.348 0.293 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.465 8.847 -1.058 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.112 7.512 -0.999 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.096 6.069 0.659 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.202 6.444 -1.897 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.188 4.996 -0.243 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.740 5.184 -1.516 1.00 0.32 C ATOM 0 H TRP A 62 128.674 9.314 4.390 1.00 0.40 H new ATOM 0 HA TRP A 62 128.719 10.546 1.822 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.783 9.694 2.832 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.116 8.081 2.991 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.342 10.557 0.315 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.896 9.290 -1.870 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.669 5.912 1.638 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.626 6.594 -2.879 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.830 4.019 0.047 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.808 4.353 -2.203 1.00 0.32 H new ATOM 997 N LEU A 63 127.498 7.476 1.868 1.00 0.34 N ATOM 998 CA LEU A 63 126.705 6.533 1.034 1.00 0.32 C ATOM 999 C LEU A 63 125.299 7.086 0.787 1.00 0.33 C ATOM 1000 O LEU A 63 124.812 7.088 -0.327 1.00 0.32 O ATOM 1001 CB LEU A 63 126.620 5.180 1.755 1.00 0.31 C ATOM 1002 CG LEU A 63 125.808 4.172 0.927 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.476 3.931 -0.434 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.729 2.851 1.698 1.00 0.32 C ATOM 0 H LEU A 63 127.725 7.144 2.805 1.00 0.34 H new ATOM 0 HA LEU A 63 127.195 6.406 0.069 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.623 4.791 1.928 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.156 5.312 2.733 1.00 0.31 H new ATOM 0 HG LEU A 63 124.808 4.571 0.756 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.887 3.215 -1.007 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.536 4.872 -0.982 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.480 3.536 -0.281 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.155 2.126 1.121 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.735 2.466 1.865 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.241 3.019 2.658 1.00 0.32 H new ATOM 1016 N LYS A 64 124.644 7.558 1.809 1.00 0.35 N ATOM 1017 CA LYS A 64 123.274 8.113 1.620 1.00 0.37 C ATOM 1018 C LYS A 64 123.342 9.332 0.703 1.00 0.39 C ATOM 1019 O LYS A 64 122.566 9.482 -0.219 1.00 0.39 O ATOM 1020 CB LYS A 64 122.679 8.525 2.967 1.00 0.41 C ATOM 1021 CG LYS A 64 121.268 9.079 2.744 1.00 0.43 C ATOM 1022 CD LYS A 64 120.574 9.304 4.091 1.00 0.68 C ATOM 1023 CE LYS A 64 121.332 10.356 4.908 1.00 1.25 C ATOM 1024 NZ LYS A 64 121.785 11.461 4.017 1.00 2.11 N ATOM 0 H LYS A 64 124.996 7.584 2.766 1.00 0.35 H new ATOM 0 HA LYS A 64 122.641 7.347 1.172 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.645 7.669 3.640 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.308 9.278 3.441 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.320 10.017 2.191 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.687 8.384 2.138 1.00 0.43 H new ATOM 0 HD2 LYS A 64 119.547 9.630 3.929 1.00 0.68 H new ATOM 0 HD3 LYS A 64 120.527 8.367 4.645 1.00 0.68 H new ATOM 0 HE2 LYS A 64 120.689 10.752 5.694 1.00 1.25 H new ATOM 0 HE3 LYS A 64 122.191 9.898 5.399 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 121.970 12.312 4.586 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 122.657 11.176 3.526 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 121.045 11.667 3.316 1.00 2.11 H new ATOM 1038 N ASP A 65 124.273 10.206 0.964 1.00 0.41 N ATOM 1039 CA ASP A 65 124.418 11.431 0.132 1.00 0.45 C ATOM 1040 C ASP A 65 124.878 11.045 -1.273 1.00 0.43 C ATOM 1041 O ASP A 65 124.579 11.715 -2.242 1.00 0.46 O ATOM 1042 CB ASP A 65 125.456 12.356 0.774 1.00 0.49 C ATOM 1043 CG ASP A 65 125.491 13.691 0.026 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.384 13.670 -1.189 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.634 14.710 0.681 1.00 1.42 O ATOM 0 H ASP A 65 124.946 10.122 1.726 1.00 0.41 H new ATOM 0 HA ASP A 65 123.459 11.945 0.068 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.210 12.522 1.823 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.440 11.888 0.748 1.00 0.49 H new ATOM 1050 N THR A 66 125.633 9.987 -1.390 1.00 0.40 N ATOM 1051 CA THR A 66 126.146 9.579 -2.727 1.00 0.39 C ATOM 1052 C THR A 66 125.074 8.857 -3.547 1.00 0.39 C ATOM 1053 O THR A 66 125.038 9.003 -4.753 1.00 0.41 O ATOM 1054 CB THR A 66 127.356 8.658 -2.557 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.393 9.359 -1.887 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.851 8.211 -3.933 1.00 0.39 C ATOM 0 H THR A 66 125.917 9.387 -0.615 1.00 0.40 H new ATOM 0 HA THR A 66 126.434 10.484 -3.263 1.00 0.39 H new ATOM 0 HB THR A 66 127.070 7.785 -1.971 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.145 9.492 -0.948 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.713 7.555 -3.814 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.055 7.674 -4.449 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.138 9.085 -4.518 1.00 0.39 H new ATOM 1064 N CYS A 67 124.222 8.049 -2.945 1.00 0.37 N ATOM 1065 CA CYS A 67 123.197 7.300 -3.751 1.00 0.38 C ATOM 1066 C CYS A 67 121.789 7.445 -3.174 1.00 0.37 C ATOM 1067 O CYS A 67 120.812 7.345 -3.888 1.00 0.40 O ATOM 1068 CB CYS A 67 123.569 5.816 -3.764 1.00 0.37 C ATOM 1069 SG CYS A 67 123.757 5.228 -2.064 1.00 0.36 S ATOM 0 H CYS A 67 124.193 7.878 -1.940 1.00 0.37 H new ATOM 0 HA CYS A 67 123.193 7.719 -4.757 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.797 5.241 -4.276 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.497 5.667 -4.316 1.00 0.37 H new ATOM 0 HG CYS A 67 124.485 6.069 -1.392 1.00 0.36 H new ATOM 1075 N GLY A 68 121.668 7.663 -1.887 1.00 0.36 N ATOM 1076 CA GLY A 68 120.312 7.796 -1.261 1.00 0.36 C ATOM 1077 C GLY A 68 120.008 6.540 -0.441 1.00 0.34 C ATOM 1078 O GLY A 68 118.882 6.306 -0.048 1.00 0.34 O ATOM 0 H GLY A 68 122.451 7.755 -1.240 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.279 8.678 -0.622 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.554 7.933 -2.033 1.00 0.36 H new ATOM 1082 N ALA A 69 120.997 5.729 -0.168 1.00 0.33 N ATOM 1083 CA ALA A 69 120.749 4.496 0.636 1.00 0.32 C ATOM 1084 C ALA A 69 119.997 4.873 1.915 1.00 0.31 C ATOM 1085 O ALA A 69 120.087 5.986 2.391 1.00 0.32 O ATOM 1086 CB ALA A 69 122.085 3.845 1.000 1.00 0.32 C ATOM 0 H ALA A 69 121.963 5.867 -0.466 1.00 0.33 H new ATOM 0 HA ALA A 69 120.153 3.793 0.054 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.903 2.945 1.587 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.622 3.582 0.089 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.683 4.544 1.584 1.00 0.32 H new ATOM 1092 N ASN A 70 119.241 3.961 2.469 1.00 0.30 N ATOM 1093 CA ASN A 70 118.467 4.280 3.705 1.00 0.30 C ATOM 1094 C ASN A 70 119.293 3.939 4.946 1.00 0.30 C ATOM 1095 O ASN A 70 120.364 3.371 4.861 1.00 0.29 O ATOM 1096 CB ASN A 70 117.185 3.446 3.726 1.00 0.30 C ATOM 1097 CG ASN A 70 116.273 3.873 2.576 1.00 1.06 C ATOM 1098 OD1 ASN A 70 116.291 5.015 2.161 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.469 2.996 2.041 1.00 1.77 N ATOM 0 H ASN A 70 119.126 3.010 2.119 1.00 0.30 H new ATOM 0 HA ASN A 70 118.228 5.344 3.708 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.427 2.387 3.637 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.671 3.576 4.678 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.855 3.269 1.274 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.455 2.038 2.390 1.00 1.77 H new ATOM 1106 N ALA A 71 118.796 4.290 6.100 1.00 0.32 N ATOM 1107 CA ALA A 71 119.533 3.999 7.363 1.00 0.34 C ATOM 1108 C ALA A 71 119.739 2.490 7.518 1.00 0.32 C ATOM 1109 O ALA A 71 120.744 2.047 8.032 1.00 0.32 O ATOM 1110 CB ALA A 71 118.727 4.522 8.553 1.00 0.39 C ATOM 0 H ALA A 71 117.904 4.770 6.223 1.00 0.32 H new ATOM 0 HA ALA A 71 120.505 4.491 7.328 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.264 4.310 9.478 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.587 5.598 8.453 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.754 4.031 8.578 1.00 0.39 H new ATOM 1116 N LYS A 72 118.800 1.693 7.089 1.00 0.30 N ATOM 1117 CA LYS A 72 118.973 0.220 7.238 1.00 0.29 C ATOM 1118 C LYS A 72 120.034 -0.287 6.262 1.00 0.27 C ATOM 1119 O LYS A 72 120.834 -1.140 6.589 1.00 0.27 O ATOM 1120 CB LYS A 72 117.633 -0.487 6.986 1.00 0.29 C ATOM 1121 CG LYS A 72 117.817 -2.016 6.968 1.00 1.18 C ATOM 1122 CD LYS A 72 118.473 -2.491 8.271 1.00 1.29 C ATOM 1123 CE LYS A 72 118.306 -4.008 8.410 1.00 2.11 C ATOM 1124 NZ LYS A 72 116.929 -4.316 8.888 1.00 2.58 N ATOM 0 H LYS A 72 117.931 1.992 6.647 1.00 0.30 H new ATOM 0 HA LYS A 72 119.304 -0.000 8.253 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.919 -0.211 7.762 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.215 -0.155 6.036 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.850 -2.504 6.841 1.00 1.18 H new ATOM 0 HG3 LYS A 72 118.434 -2.305 6.117 1.00 1.18 H new ATOM 0 HD2 LYS A 72 119.531 -2.230 8.273 1.00 1.29 H new ATOM 0 HD3 LYS A 72 118.019 -1.986 9.123 1.00 1.29 H new ATOM 0 HE2 LYS A 72 118.486 -4.494 7.451 1.00 2.11 H new ATOM 0 HE3 LYS A 72 119.042 -4.403 9.110 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 116.876 -5.314 9.176 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 116.700 -3.709 9.701 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 116.248 -4.140 8.122 1.00 2.58 H new ATOM 1138 N GLN A 73 120.039 0.217 5.058 1.00 0.26 N ATOM 1139 CA GLN A 73 121.036 -0.252 4.057 1.00 0.25 C ATOM 1140 C GLN A 73 122.441 0.190 4.449 1.00 0.25 C ATOM 1141 O GLN A 73 123.397 -0.543 4.296 1.00 0.25 O ATOM 1142 CB GLN A 73 120.697 0.322 2.680 1.00 0.26 C ATOM 1143 CG GLN A 73 119.423 -0.334 2.147 1.00 0.29 C ATOM 1144 CD GLN A 73 118.961 0.405 0.889 1.00 1.24 C ATOM 1145 OE1 GLN A 73 119.297 1.555 0.688 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.204 -0.212 0.024 1.00 1.88 N ATOM 0 H GLN A 73 119.395 0.934 4.725 1.00 0.26 H new ATOM 0 HA GLN A 73 121.002 -1.341 4.024 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.560 1.401 2.749 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.523 0.149 1.990 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.609 -1.383 1.918 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.641 -0.307 2.906 1.00 0.29 H new ATOM 0 HE21 GLN A 73 117.921 -1.178 0.191 1.00 1.88 H new ATOM 0 HE22 GLN A 73 117.895 0.271 -0.820 1.00 1.88 H new ATOM 1155 N SER A 74 122.583 1.390 4.942 1.00 0.26 N ATOM 1156 CA SER A 74 123.932 1.875 5.325 1.00 0.27 C ATOM 1157 C SER A 74 124.442 1.094 6.536 1.00 0.26 C ATOM 1158 O SER A 74 125.609 0.767 6.622 1.00 0.26 O ATOM 1159 CB SER A 74 123.862 3.366 5.660 1.00 0.30 C ATOM 1160 OG SER A 74 125.170 3.913 5.609 1.00 1.36 O ATOM 0 H SER A 74 121.822 2.052 5.095 1.00 0.26 H new ATOM 0 HA SER A 74 124.619 1.724 4.492 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.211 3.880 4.953 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.432 3.509 6.651 1.00 0.30 H new ATOM 0 HG SER A 74 125.282 4.415 4.775 1.00 1.36 H new ATOM 1166 N ARG A 75 123.584 0.780 7.473 1.00 0.27 N ATOM 1167 CA ARG A 75 124.036 0.012 8.664 1.00 0.28 C ATOM 1168 C ARG A 75 124.601 -1.327 8.205 1.00 0.26 C ATOM 1169 O ARG A 75 125.569 -1.816 8.753 1.00 0.27 O ATOM 1170 CB ARG A 75 122.856 -0.206 9.615 1.00 0.30 C ATOM 1171 CG ARG A 75 122.544 1.105 10.344 1.00 0.33 C ATOM 1172 CD ARG A 75 121.252 0.948 11.147 1.00 0.61 C ATOM 1173 NE ARG A 75 120.866 2.267 11.752 1.00 1.34 N ATOM 1174 CZ ARG A 75 121.657 2.910 12.569 1.00 1.81 C ATOM 1175 NH1 ARG A 75 122.743 2.347 13.024 1.00 1.88 N ATOM 1176 NH2 ARG A 75 121.332 4.107 12.974 1.00 2.80 N ATOM 0 H ARG A 75 122.593 1.023 7.462 1.00 0.27 H new ATOM 0 HA ARG A 75 124.811 0.567 9.193 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.982 -0.542 9.057 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.095 -0.988 10.336 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.367 1.369 11.008 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.441 1.918 9.625 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.453 0.586 10.500 1.00 0.61 H new ATOM 0 HD3 ARG A 75 121.389 0.204 11.931 1.00 0.61 H new ATOM 0 HE ARG A 75 119.960 2.673 11.518 1.00 1.34 H new ATOM 0 HH11 ARG A 75 122.981 1.396 12.742 1.00 1.88 H new ATOM 0 HH12 ARG A 75 123.354 2.858 13.661 1.00 1.88 H new ATOM 0 HH21 ARG A 75 120.464 4.536 12.653 1.00 2.80 H new ATOM 0 HH22 ARG A 75 121.946 4.614 13.612 1.00 2.80 H new ATOM 1190 N ASP A 76 124.008 -1.947 7.220 1.00 0.25 N ATOM 1191 CA ASP A 76 124.505 -3.264 6.748 1.00 0.24 C ATOM 1192 C ASP A 76 125.872 -3.110 6.083 1.00 0.23 C ATOM 1193 O ASP A 76 126.751 -3.928 6.266 1.00 0.23 O ATOM 1194 CB ASP A 76 123.512 -3.845 5.739 1.00 0.24 C ATOM 1195 CG ASP A 76 122.227 -4.254 6.465 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.332 -4.811 7.546 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.161 -4.000 5.929 1.00 0.39 O ATOM 0 H ASP A 76 123.193 -1.591 6.720 1.00 0.25 H new ATOM 0 HA ASP A 76 124.603 -3.933 7.603 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.288 -3.108 4.968 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.950 -4.708 5.238 1.00 0.24 H new ATOM 1202 N CYS A 77 126.075 -2.072 5.317 1.00 0.22 N ATOM 1203 CA CYS A 77 127.399 -1.893 4.664 1.00 0.22 C ATOM 1204 C CYS A 77 128.453 -1.586 5.725 1.00 0.22 C ATOM 1205 O CYS A 77 129.570 -2.057 5.654 1.00 0.21 O ATOM 1206 CB CYS A 77 127.325 -0.726 3.677 1.00 0.23 C ATOM 1207 SG CYS A 77 126.298 -1.193 2.264 1.00 0.24 S ATOM 0 H CYS A 77 125.386 -1.347 5.118 1.00 0.22 H new ATOM 0 HA CYS A 77 127.668 -2.807 4.134 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.908 0.153 4.168 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.326 -0.458 3.339 1.00 0.23 H new ATOM 0 HG CYS A 77 126.163 -2.486 2.234 1.00 0.24 H new ATOM 1213 N PHE A 78 128.124 -0.790 6.704 1.00 0.23 N ATOM 1214 CA PHE A 78 129.137 -0.459 7.742 1.00 0.25 C ATOM 1215 C PHE A 78 129.601 -1.735 8.441 1.00 0.24 C ATOM 1216 O PHE A 78 130.768 -2.073 8.426 1.00 0.23 O ATOM 1217 CB PHE A 78 128.515 0.498 8.762 1.00 0.29 C ATOM 1218 CG PHE A 78 129.524 0.819 9.837 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.430 1.871 9.657 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.547 0.071 11.019 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.361 2.173 10.659 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.477 0.372 12.021 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.384 1.423 11.840 1.00 0.43 C ATOM 0 H PHE A 78 127.208 -0.359 6.829 1.00 0.23 H new ATOM 0 HA PHE A 78 129.998 0.017 7.273 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.193 1.414 8.267 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.628 0.046 9.205 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.411 2.450 8.745 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.847 -0.739 11.159 1.00 0.38 H new ATOM 0 HE1 PHE A 78 132.060 2.984 10.520 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.495 -0.206 12.933 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.102 1.655 12.613 1.00 0.43 H new ATOM 1233 N GLY A 79 128.699 -2.445 9.062 1.00 0.25 N ATOM 1234 CA GLY A 79 129.086 -3.697 9.772 1.00 0.26 C ATOM 1235 C GLY A 79 129.644 -4.731 8.785 1.00 0.24 C ATOM 1236 O GLY A 79 130.527 -5.495 9.110 1.00 0.24 O ATOM 0 H GLY A 79 127.707 -2.211 9.108 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.834 -3.473 10.533 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.220 -4.111 10.288 1.00 0.26 H new ATOM 1240 N CYS A 80 129.135 -4.765 7.586 1.00 0.22 N ATOM 1241 CA CYS A 80 129.645 -5.760 6.597 1.00 0.22 C ATOM 1242 C CYS A 80 131.064 -5.390 6.165 1.00 0.22 C ATOM 1243 O CYS A 80 131.956 -6.215 6.158 1.00 0.23 O ATOM 1244 CB CYS A 80 128.730 -5.774 5.374 1.00 0.22 C ATOM 1245 SG CYS A 80 129.296 -7.042 4.213 1.00 0.25 S ATOM 0 H CYS A 80 128.393 -4.152 7.247 1.00 0.22 H new ATOM 0 HA CYS A 80 129.659 -6.747 7.059 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.703 -5.976 5.677 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.734 -4.796 4.892 1.00 0.22 H new ATOM 0 HG CYS A 80 129.395 -6.528 3.023 1.00 0.25 H new ATOM 1251 N LEU A 81 131.287 -4.153 5.827 1.00 0.21 N ATOM 1252 CA LEU A 81 132.662 -3.749 5.425 1.00 0.21 C ATOM 1253 C LEU A 81 133.554 -3.782 6.669 1.00 0.22 C ATOM 1254 O LEU A 81 134.691 -4.205 6.618 1.00 0.22 O ATOM 1255 CB LEU A 81 132.629 -2.333 4.840 1.00 0.22 C ATOM 1256 CG LEU A 81 131.715 -2.297 3.604 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.379 -0.844 3.256 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.415 -2.945 2.399 1.00 0.28 C ATOM 0 H LEU A 81 130.587 -3.411 5.811 1.00 0.21 H new ATOM 0 HA LEU A 81 133.053 -4.430 4.669 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.269 -1.629 5.590 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.637 -2.020 4.567 1.00 0.22 H new ATOM 0 HG LEU A 81 130.804 -2.850 3.832 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.731 -0.820 2.380 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.868 -0.377 4.098 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.299 -0.299 3.042 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.754 -2.911 1.533 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.333 -2.402 2.176 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.655 -3.982 2.632 1.00 0.28 H new ATOM 1270 N ARG A 82 133.042 -3.345 7.789 1.00 0.22 N ATOM 1271 CA ARG A 82 133.857 -3.359 9.038 1.00 0.24 C ATOM 1272 C ARG A 82 134.233 -4.798 9.398 1.00 0.25 C ATOM 1273 O ARG A 82 135.335 -5.068 9.832 1.00 0.26 O ATOM 1274 CB ARG A 82 133.052 -2.747 10.190 1.00 0.28 C ATOM 1275 CG ARG A 82 133.911 -2.709 11.460 1.00 0.33 C ATOM 1276 CD ARG A 82 133.103 -2.098 12.603 1.00 0.84 C ATOM 1277 NE ARG A 82 133.971 -1.972 13.808 1.00 1.41 N ATOM 1278 CZ ARG A 82 133.574 -1.257 14.826 1.00 1.95 C ATOM 1279 NH1 ARG A 82 132.401 -0.687 14.801 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.344 -1.122 15.870 1.00 2.73 N ATOM 0 H ARG A 82 132.095 -2.979 7.893 1.00 0.22 H new ATOM 0 HA ARG A 82 134.763 -2.776 8.874 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.731 -1.739 9.927 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.150 -3.333 10.367 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.232 -3.716 11.725 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.813 -2.123 11.284 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.722 -1.119 12.311 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.239 -2.723 12.827 1.00 0.84 H new ATOM 0 HE ARG A 82 134.875 -2.444 13.837 1.00 1.41 H new ATOM 0 HH11 ARG A 82 131.796 -0.800 13.988 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.089 -0.128 15.595 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.258 -1.575 15.892 1.00 2.73 H new ATOM 0 HH22 ARG A 82 134.033 -0.563 16.664 1.00 2.73 H new ATOM 1294 N GLU A 83 133.324 -5.723 9.242 1.00 0.25 N ATOM 1295 CA GLU A 83 133.627 -7.140 9.598 1.00 0.28 C ATOM 1296 C GLU A 83 134.641 -7.738 8.624 1.00 0.27 C ATOM 1297 O GLU A 83 135.536 -8.453 9.030 1.00 0.29 O ATOM 1298 CB GLU A 83 132.333 -7.964 9.569 1.00 0.30 C ATOM 1299 CG GLU A 83 131.496 -7.659 10.817 1.00 0.33 C ATOM 1300 CD GLU A 83 132.160 -8.287 12.044 1.00 1.19 C ATOM 1301 OE1 GLU A 83 133.033 -9.120 11.860 1.00 1.91 O ATOM 1302 OE2 GLU A 83 131.783 -7.927 13.147 1.00 1.56 O ATOM 0 H GLU A 83 132.384 -5.558 8.883 1.00 0.25 H new ATOM 0 HA GLU A 83 134.056 -7.164 10.600 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.762 -7.730 8.671 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.569 -9.027 9.529 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.404 -6.581 10.952 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.487 -8.052 10.696 1.00 0.33 H new ATOM 1309 N TRP A 84 134.546 -7.454 7.350 1.00 0.25 N ATOM 1310 CA TRP A 84 135.550 -8.018 6.409 1.00 0.25 C ATOM 1311 C TRP A 84 136.927 -7.515 6.841 1.00 0.27 C ATOM 1312 O TRP A 84 137.891 -8.253 6.884 1.00 0.28 O ATOM 1313 CB TRP A 84 135.256 -7.550 4.981 1.00 0.25 C ATOM 1314 CG TRP A 84 136.218 -8.211 4.047 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.985 -9.372 3.394 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.558 -7.787 3.662 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.093 -9.687 2.630 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.090 -8.741 2.762 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.356 -6.679 4.002 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.366 -8.604 2.218 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.643 -6.536 3.456 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.148 -7.497 2.566 1.00 0.37 C ATOM 0 H TRP A 84 133.827 -6.865 6.929 1.00 0.25 H new ATOM 0 HA TRP A 84 135.514 -9.107 6.427 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.231 -7.800 4.706 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.349 -6.466 4.913 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.080 -9.958 3.459 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.165 -10.517 2.041 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.977 -5.934 4.686 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.748 -9.347 1.533 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.247 -5.682 3.723 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.138 -7.382 2.151 1.00 0.37 H new ATOM 1333 N CYS A 85 137.014 -6.253 7.164 1.00 0.27 N ATOM 1334 CA CYS A 85 138.315 -5.675 7.600 1.00 0.30 C ATOM 1335 C CYS A 85 138.798 -6.388 8.866 1.00 0.33 C ATOM 1336 O CYS A 85 139.966 -6.674 9.029 1.00 0.36 O ATOM 1337 CB CYS A 85 138.116 -4.183 7.895 1.00 0.33 C ATOM 1338 SG CYS A 85 138.040 -3.266 6.337 1.00 0.33 S ATOM 0 H CYS A 85 136.235 -5.595 7.144 1.00 0.27 H new ATOM 0 HA CYS A 85 139.059 -5.804 6.814 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.198 -4.033 8.463 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.936 -3.810 8.509 1.00 0.33 H new ATOM 0 HG CYS A 85 137.869 -2.002 6.586 1.00 0.33 H new ATOM 1344 N ASP A 86 137.905 -6.679 9.762 1.00 0.34 N ATOM 1345 CA ASP A 86 138.305 -7.371 11.018 1.00 0.39 C ATOM 1346 C ASP A 86 138.941 -8.727 10.694 1.00 0.41 C ATOM 1347 O ASP A 86 139.831 -9.183 11.385 1.00 0.43 O ATOM 1348 CB ASP A 86 137.073 -7.576 11.901 1.00 0.41 C ATOM 1349 CG ASP A 86 136.609 -6.222 12.443 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.459 -5.446 12.847 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.413 -5.983 12.440 1.00 0.51 O ATOM 0 H ASP A 86 136.910 -6.468 9.681 1.00 0.34 H new ATOM 0 HA ASP A 86 139.035 -6.758 11.547 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.274 -8.044 11.327 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.310 -8.249 12.725 1.00 0.41 H new ATOM 1356 N ALA A 87 138.480 -9.386 9.662 1.00 0.41 N ATOM 1357 CA ALA A 87 139.047 -10.727 9.313 1.00 0.43 C ATOM 1358 C ALA A 87 140.203 -10.596 8.312 1.00 0.43 C ATOM 1359 O ALA A 87 141.145 -11.363 8.346 1.00 0.48 O ATOM 1360 CB ALA A 87 137.946 -11.588 8.694 1.00 0.41 C ATOM 0 H ALA A 87 137.737 -9.056 9.046 1.00 0.41 H new ATOM 0 HA ALA A 87 139.429 -11.189 10.224 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.351 -12.567 8.437 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.133 -11.708 9.410 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.568 -11.104 7.794 1.00 0.41 H new ATOM 1366 N PHE A 88 140.127 -9.655 7.400 1.00 0.40 N ATOM 1367 CA PHE A 88 141.209 -9.500 6.365 1.00 0.44 C ATOM 1368 C PHE A 88 142.048 -8.244 6.622 1.00 0.54 C ATOM 1369 O PHE A 88 142.921 -7.913 5.845 1.00 1.24 O ATOM 1370 CB PHE A 88 140.570 -9.367 4.982 1.00 0.41 C ATOM 1371 CG PHE A 88 139.953 -10.676 4.556 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.724 -11.622 3.871 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.606 -10.938 4.833 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.148 -12.832 3.465 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.030 -12.145 4.425 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.801 -13.092 3.740 1.00 0.45 C ATOM 0 H PHE A 88 139.362 -8.985 7.325 1.00 0.40 H new ATOM 0 HA PHE A 88 141.853 -10.378 6.419 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.808 -8.588 5.001 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.322 -9.059 4.256 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.763 -11.419 3.656 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.012 -10.208 5.362 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.743 -13.564 2.940 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.991 -12.347 4.638 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.356 -14.024 3.424 1.00 0.45 H new ATOM 1454 N SER B 4 163.105 -2.348 1.446 1.00 0.63 N ATOM 1455 CA SER B 4 163.698 -2.739 2.758 1.00 0.62 C ATOM 1456 C SER B 4 162.899 -3.906 3.341 1.00 0.60 C ATOM 1457 O SER B 4 161.901 -4.331 2.792 1.00 0.58 O ATOM 1458 CB SER B 4 163.635 -1.552 3.718 1.00 0.63 C ATOM 1459 OG SER B 4 162.276 -1.275 4.032 1.00 1.50 O ATOM 0 HA SER B 4 164.737 -3.037 2.617 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.193 -1.775 4.628 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.101 -0.677 3.265 1.00 0.63 H new ATOM 0 HG SER B 4 161.716 -1.452 3.247 1.00 1.50 H new ATOM 1465 N GLN B 5 163.341 -4.427 4.454 1.00 0.63 N ATOM 1466 CA GLN B 5 162.629 -5.570 5.089 1.00 0.64 C ATOM 1467 C GLN B 5 161.182 -5.177 5.375 1.00 0.60 C ATOM 1468 O GLN B 5 160.321 -6.019 5.544 1.00 0.60 O ATOM 1469 CB GLN B 5 163.325 -5.941 6.400 1.00 0.71 C ATOM 1470 CG GLN B 5 164.684 -6.574 6.094 1.00 1.34 C ATOM 1471 CD GLN B 5 165.439 -6.823 7.400 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.105 -6.263 8.426 1.00 2.09 O ATOM 1473 NE2 GLN B 5 166.454 -7.643 7.405 1.00 2.18 N ATOM 0 H GLN B 5 164.171 -4.106 4.953 1.00 0.63 H new ATOM 0 HA GLN B 5 162.645 -6.426 4.414 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.456 -5.053 7.018 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.707 -6.637 6.968 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.547 -7.512 5.557 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.265 -5.918 5.446 1.00 1.34 H new ATOM 0 HE21 GLN B 5 166.734 -8.113 6.544 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.967 -7.814 8.270 1.00 2.18 H new ATOM 1482 N LYS B 6 160.900 -3.902 5.428 1.00 0.59 N ATOM 1483 CA LYS B 6 159.507 -3.452 5.697 1.00 0.57 C ATOM 1484 C LYS B 6 158.592 -3.961 4.587 1.00 0.51 C ATOM 1485 O LYS B 6 157.459 -4.329 4.826 1.00 0.50 O ATOM 1486 CB LYS B 6 159.463 -1.923 5.733 1.00 0.58 C ATOM 1487 CG LYS B 6 160.184 -1.422 6.987 1.00 0.66 C ATOM 1488 CD LYS B 6 160.265 0.109 6.963 1.00 0.80 C ATOM 1489 CE LYS B 6 158.855 0.712 6.990 1.00 1.25 C ATOM 1490 NZ LYS B 6 158.925 2.107 7.509 1.00 2.01 N ATOM 0 H LYS B 6 161.578 -3.152 5.296 1.00 0.59 H new ATOM 0 HA LYS B 6 159.173 -3.846 6.657 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.936 -1.514 4.840 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.429 -1.578 5.733 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.653 -1.753 7.880 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.186 -1.848 7.036 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.837 0.464 7.820 1.00 0.80 H new ATOM 0 HD3 LYS B 6 160.793 0.439 6.068 1.00 0.80 H new ATOM 0 HE2 LYS B 6 158.425 0.706 5.988 1.00 1.25 H new ATOM 0 HE3 LYS B 6 158.202 0.110 7.621 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 158.007 2.575 7.371 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 159.156 2.089 8.523 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.661 2.632 6.995 1.00 2.01 H new ATOM 1504 N HIS B 7 159.062 -3.975 3.372 1.00 0.49 N ATOM 1505 CA HIS B 7 158.200 -4.448 2.256 1.00 0.45 C ATOM 1506 C HIS B 7 157.772 -5.895 2.492 1.00 0.45 C ATOM 1507 O HIS B 7 156.607 -6.228 2.407 1.00 0.43 O ATOM 1508 CB HIS B 7 158.983 -4.353 0.942 1.00 0.45 C ATOM 1509 CG HIS B 7 158.184 -4.957 -0.183 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.472 -4.183 -1.090 1.00 0.39 N ATOM 1511 CD2 HIS B 7 157.987 -6.261 -0.568 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.889 -5.020 -1.969 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.172 -6.295 -1.693 1.00 0.42 N ATOM 0 H HIS B 7 160.001 -3.681 3.105 1.00 0.49 H new ATOM 0 HA HIS B 7 157.308 -3.823 2.204 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.209 -3.310 0.719 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.937 -4.871 1.040 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.402 -7.126 -0.073 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.270 -4.700 -2.794 1.00 0.38 H new ATOM 0 HE2 HIS B 7 156.856 -7.121 -2.201 1.00 0.42 H new ATOM 1521 N ARG B 8 158.705 -6.765 2.791 1.00 0.48 N ATOM 1522 CA ARG B 8 158.361 -8.189 3.034 1.00 0.50 C ATOM 1523 C ARG B 8 157.599 -8.328 4.351 1.00 0.51 C ATOM 1524 O ARG B 8 156.721 -9.153 4.486 1.00 0.51 O ATOM 1525 CB ARG B 8 159.649 -9.009 3.084 1.00 0.55 C ATOM 1526 CG ARG B 8 160.250 -9.069 1.679 1.00 0.57 C ATOM 1527 CD ARG B 8 161.541 -9.886 1.705 1.00 1.00 C ATOM 1528 NE ARG B 8 162.150 -9.896 0.346 1.00 1.70 N ATOM 1529 CZ ARG B 8 163.401 -10.233 0.196 1.00 2.29 C ATOM 1530 NH1 ARG B 8 164.119 -10.553 1.238 1.00 2.43 N ATOM 1531 NH2 ARG B 8 163.934 -10.248 -0.994 1.00 3.23 N ATOM 0 H ARG B 8 159.697 -6.542 2.876 1.00 0.48 H new ATOM 0 HA ARG B 8 157.725 -8.554 2.227 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.357 -8.557 3.778 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.442 -10.015 3.449 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.538 -9.519 0.987 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.453 -8.061 1.317 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.239 -9.459 2.425 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.332 -10.906 2.029 1.00 1.00 H new ATOM 0 HE ARG B 8 161.589 -9.640 -0.467 1.00 1.70 H new ATOM 0 HH11 ARG B 8 163.702 -10.539 2.169 1.00 2.43 H new ATOM 0 HH12 ARG B 8 165.097 -10.817 1.122 1.00 2.43 H new ATOM 0 HH21 ARG B 8 163.373 -9.996 -1.807 1.00 3.23 H new ATOM 0 HH22 ARG B 8 164.912 -10.512 -1.111 1.00 3.23 H new ATOM 1545 N ASP B 9 157.928 -7.526 5.325 1.00 0.52 N ATOM 1546 CA ASP B 9 157.221 -7.619 6.633 1.00 0.54 C ATOM 1547 C ASP B 9 155.776 -7.152 6.468 1.00 0.49 C ATOM 1548 O ASP B 9 154.862 -7.713 7.040 1.00 0.48 O ATOM 1549 CB ASP B 9 157.920 -6.743 7.671 1.00 0.61 C ATOM 1550 CG ASP B 9 159.274 -7.356 8.034 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.438 -8.546 7.825 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.124 -6.624 8.514 1.00 0.76 O ATOM 0 H ASP B 9 158.654 -6.812 5.272 1.00 0.52 H new ATOM 0 HA ASP B 9 157.236 -8.655 6.970 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.059 -5.736 7.277 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.300 -6.653 8.563 1.00 0.61 H new ATOM 1557 N PHE B 10 155.563 -6.118 5.706 1.00 0.46 N ATOM 1558 CA PHE B 10 154.176 -5.609 5.528 1.00 0.43 C ATOM 1559 C PHE B 10 153.317 -6.661 4.811 1.00 0.37 C ATOM 1560 O PHE B 10 152.205 -6.942 5.211 1.00 0.36 O ATOM 1561 CB PHE B 10 154.212 -4.320 4.704 1.00 0.45 C ATOM 1562 CG PHE B 10 152.853 -3.663 4.735 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.436 -2.990 5.889 1.00 0.44 C ATOM 1564 CD2 PHE B 10 152.012 -3.720 3.616 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.179 -2.376 5.926 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.755 -3.105 3.653 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.338 -2.433 4.809 1.00 0.43 C ATOM 0 H PHE B 10 156.285 -5.605 5.201 1.00 0.46 H new ATOM 0 HA PHE B 10 153.739 -5.405 6.505 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.965 -3.641 5.104 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.497 -4.541 3.675 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.085 -2.944 6.751 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.333 -4.238 2.725 1.00 0.43 H new ATOM 0 HE1 PHE B 10 150.858 -1.858 6.817 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.107 -3.149 2.790 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.368 -1.959 4.838 1.00 0.43 H new ATOM 1577 N VAL B 11 153.818 -7.235 3.749 1.00 0.37 N ATOM 1578 CA VAL B 11 153.026 -8.258 2.995 1.00 0.35 C ATOM 1579 C VAL B 11 153.228 -9.659 3.598 1.00 0.36 C ATOM 1580 O VAL B 11 152.793 -10.644 3.037 1.00 0.37 O ATOM 1581 CB VAL B 11 153.480 -8.265 1.532 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.407 -6.846 0.960 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.921 -8.769 1.455 1.00 0.40 C ATOM 0 H VAL B 11 154.744 -7.040 3.368 1.00 0.37 H new ATOM 0 HA VAL B 11 151.969 -8.002 3.061 1.00 0.35 H new ATOM 0 HB VAL B 11 152.828 -8.920 0.954 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.731 -6.856 -0.081 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.381 -6.483 1.017 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.057 -6.188 1.536 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.249 -8.776 0.416 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.568 -8.111 2.035 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.975 -9.780 1.859 1.00 0.40 H new ATOM 1593 N ALA B 12 153.870 -9.759 4.740 1.00 0.41 N ATOM 1594 CA ALA B 12 154.082 -11.102 5.384 1.00 0.47 C ATOM 1595 C ALA B 12 153.125 -11.280 6.567 1.00 0.45 C ATOM 1596 O ALA B 12 152.936 -12.374 7.061 1.00 0.48 O ATOM 1597 CB ALA B 12 155.520 -11.214 5.889 1.00 0.53 C ATOM 0 H ALA B 12 154.257 -8.969 5.256 1.00 0.41 H new ATOM 0 HA ALA B 12 153.889 -11.876 4.641 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.667 -12.189 6.354 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.209 -11.104 5.052 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.710 -10.430 6.622 1.00 0.53 H new ATOM 1603 N GLU B 13 152.524 -10.218 7.029 1.00 0.42 N ATOM 1604 CA GLU B 13 151.582 -10.332 8.183 1.00 0.43 C ATOM 1605 C GLU B 13 150.538 -9.213 8.087 1.00 0.39 C ATOM 1606 O GLU B 13 150.815 -8.163 7.543 1.00 0.36 O ATOM 1607 CB GLU B 13 152.370 -10.189 9.491 1.00 0.46 C ATOM 1608 CG GLU B 13 153.338 -9.009 9.380 1.00 0.48 C ATOM 1609 CD GLU B 13 153.927 -8.701 10.758 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.129 -9.636 11.516 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.166 -7.537 11.033 1.00 1.04 O ATOM 0 H GLU B 13 152.643 -9.275 6.658 1.00 0.42 H new ATOM 0 HA GLU B 13 151.083 -11.301 8.164 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.685 -10.034 10.325 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.921 -11.106 9.698 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.136 -9.245 8.676 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.818 -8.134 8.991 1.00 0.48 H new ATOM 1618 N PRO B 14 149.352 -9.415 8.619 1.00 0.42 N ATOM 1619 CA PRO B 14 148.283 -8.380 8.590 1.00 0.40 C ATOM 1620 C PRO B 14 148.856 -6.970 8.771 1.00 0.36 C ATOM 1621 O PRO B 14 149.922 -6.794 9.327 1.00 0.36 O ATOM 1622 CB PRO B 14 147.398 -8.770 9.774 1.00 0.45 C ATOM 1623 CG PRO B 14 147.497 -10.265 9.844 1.00 0.49 C ATOM 1624 CD PRO B 14 148.891 -10.640 9.303 1.00 0.48 C ATOM 0 HA PRO B 14 147.749 -8.348 7.640 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.744 -8.306 10.698 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.368 -8.448 9.622 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.373 -10.614 10.869 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.712 -10.733 9.250 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.568 -10.926 10.108 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.838 -11.485 8.616 1.00 0.48 H new ATOM 1632 N MET B 15 148.166 -5.968 8.298 1.00 0.35 N ATOM 1633 CA MET B 15 148.679 -4.571 8.435 1.00 0.34 C ATOM 1634 C MET B 15 148.070 -3.907 9.673 1.00 0.35 C ATOM 1635 O MET B 15 148.683 -3.068 10.302 1.00 0.37 O ATOM 1636 CB MET B 15 148.330 -3.771 7.176 1.00 0.36 C ATOM 1637 CG MET B 15 146.828 -3.847 6.898 1.00 0.40 C ATOM 1638 SD MET B 15 146.503 -3.220 5.232 1.00 0.56 S ATOM 1639 CE MET B 15 146.360 -1.469 5.663 1.00 0.42 C ATOM 0 H MET B 15 147.268 -6.055 7.822 1.00 0.35 H new ATOM 0 HA MET B 15 149.762 -4.595 8.552 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.631 -2.731 7.303 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.885 -4.162 6.323 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.481 -4.876 6.987 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.279 -3.260 7.635 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.633 -0.859 4.802 1.00 0.42 H new ATOM 0 HE2 MET B 15 145.333 -1.248 5.953 1.00 0.42 H new ATOM 0 HE3 MET B 15 147.028 -1.243 6.494 1.00 0.42 H new ATOM 1649 N GLY B 16 146.871 -4.284 10.035 1.00 0.36 N ATOM 1650 CA GLY B 16 146.228 -3.686 11.241 1.00 0.39 C ATOM 1651 C GLY B 16 146.181 -2.161 11.118 1.00 0.38 C ATOM 1652 O GLY B 16 145.791 -1.621 10.103 1.00 0.37 O ATOM 0 H GLY B 16 146.309 -4.981 9.546 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.218 -4.080 11.356 1.00 0.39 H new ATOM 0 HA3 GLY B 16 146.784 -3.968 12.135 1.00 0.39 H new ATOM 1656 N GLU B 17 146.561 -1.469 12.165 1.00 0.40 N ATOM 1657 CA GLU B 17 146.532 0.030 12.159 1.00 0.41 C ATOM 1658 C GLU B 17 147.956 0.583 12.219 1.00 0.38 C ATOM 1659 O GLU B 17 148.209 1.599 12.835 1.00 0.39 O ATOM 1660 CB GLU B 17 145.746 0.519 13.377 1.00 0.46 C ATOM 1661 CG GLU B 17 144.263 0.190 13.193 1.00 0.50 C ATOM 1662 CD GLU B 17 143.479 0.653 14.423 1.00 0.55 C ATOM 1663 OE1 GLU B 17 143.373 -0.122 15.360 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.999 1.774 14.408 1.00 0.84 O ATOM 0 H GLU B 17 146.894 -1.884 13.035 1.00 0.40 H new ATOM 0 HA GLU B 17 146.055 0.378 11.243 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.125 0.045 14.282 1.00 0.46 H new ATOM 0 HB3 GLU B 17 145.878 1.594 13.501 1.00 0.46 H new ATOM 0 HG2 GLU B 17 143.879 0.681 12.299 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.133 -0.883 13.049 1.00 0.50 H new ATOM 1671 N LYS B 18 148.892 -0.075 11.591 1.00 0.36 N ATOM 1672 CA LYS B 18 150.293 0.427 11.632 1.00 0.35 C ATOM 1673 C LYS B 18 150.290 1.882 11.139 1.00 0.31 C ATOM 1674 O LYS B 18 149.451 2.262 10.346 1.00 0.30 O ATOM 1675 CB LYS B 18 151.174 -0.428 10.712 1.00 0.35 C ATOM 1676 CG LYS B 18 151.527 -1.742 11.412 1.00 0.45 C ATOM 1677 CD LYS B 18 152.267 -2.659 10.436 1.00 1.16 C ATOM 1678 CE LYS B 18 152.814 -3.873 11.189 1.00 1.44 C ATOM 1679 NZ LYS B 18 151.728 -4.474 12.014 1.00 2.02 N ATOM 0 H LYS B 18 148.748 -0.931 11.056 1.00 0.36 H new ATOM 0 HA LYS B 18 150.688 0.371 12.647 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.651 -0.632 9.778 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.084 0.115 10.456 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.149 -1.545 12.285 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.621 -2.230 11.770 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.593 -2.983 9.643 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.083 -2.116 9.958 1.00 1.16 H new ATOM 0 HE2 LYS B 18 153.200 -4.609 10.483 1.00 1.44 H new ATOM 0 HE3 LYS B 18 153.647 -3.575 11.826 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 151.998 -5.439 12.293 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 151.579 -3.896 12.866 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 150.849 -4.507 11.460 1.00 2.02 H new ATOM 1693 N PRO B 19 151.194 2.702 11.621 1.00 0.31 N ATOM 1694 CA PRO B 19 151.248 4.141 11.229 1.00 0.29 C ATOM 1695 C PRO B 19 151.460 4.325 9.723 1.00 0.25 C ATOM 1696 O PRO B 19 151.947 3.448 9.036 1.00 0.23 O ATOM 1697 CB PRO B 19 152.428 4.715 12.042 1.00 0.32 C ATOM 1698 CG PRO B 19 153.242 3.526 12.454 1.00 0.32 C ATOM 1699 CD PRO B 19 152.262 2.358 12.574 1.00 0.34 C ATOM 0 HA PRO B 19 150.309 4.653 11.439 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.019 5.407 11.442 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.074 5.269 12.911 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.016 3.310 11.718 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.747 3.710 13.403 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.736 1.410 12.320 1.00 0.34 H new ATOM 0 HD3 PRO B 19 151.877 2.260 13.589 1.00 0.34 H new ATOM 1707 N VAL B 20 151.083 5.463 9.210 1.00 0.24 N ATOM 1708 CA VAL B 20 151.241 5.723 7.754 1.00 0.22 C ATOM 1709 C VAL B 20 152.705 5.560 7.344 1.00 0.21 C ATOM 1710 O VAL B 20 153.022 4.962 6.335 1.00 0.22 O ATOM 1711 CB VAL B 20 150.774 7.149 7.448 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.659 8.155 8.195 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.866 7.403 5.942 1.00 0.28 C ATOM 0 H VAL B 20 150.669 6.229 9.742 1.00 0.24 H new ATOM 0 HA VAL B 20 150.640 5.008 7.192 1.00 0.22 H new ATOM 0 HB VAL B 20 149.741 7.269 7.774 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.324 9.168 7.975 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.589 7.975 9.268 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.694 8.038 7.874 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.534 8.418 5.723 1.00 0.28 H new ATOM 0 HG22 VAL B 20 151.899 7.281 5.615 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.231 6.692 5.414 1.00 0.28 H new ATOM 1723 N GLY B 21 153.595 6.115 8.120 1.00 0.22 N ATOM 1724 CA GLY B 21 155.045 6.035 7.791 1.00 0.21 C ATOM 1725 C GLY B 21 155.516 4.578 7.781 1.00 0.19 C ATOM 1726 O GLY B 21 156.665 4.299 7.501 1.00 0.19 O ATOM 0 H GLY B 21 153.377 6.625 8.976 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.228 6.489 6.817 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.621 6.604 8.521 1.00 0.21 H new ATOM 1730 N SER B 22 154.654 3.640 8.076 1.00 0.20 N ATOM 1731 CA SER B 22 155.082 2.209 8.069 1.00 0.20 C ATOM 1732 C SER B 22 155.036 1.667 6.644 1.00 0.19 C ATOM 1733 O SER B 22 155.752 0.750 6.293 1.00 0.20 O ATOM 1734 CB SER B 22 154.125 1.392 8.931 1.00 0.23 C ATOM 1735 OG SER B 22 152.878 1.270 8.260 1.00 1.24 O ATOM 0 H SER B 22 153.677 3.801 8.320 1.00 0.20 H new ATOM 0 HA SER B 22 156.097 2.137 8.461 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.545 0.405 9.126 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.985 1.875 9.898 1.00 0.23 H new ATOM 0 HG SER B 22 152.396 2.122 8.308 1.00 1.24 H new ATOM 1741 N LEU B 23 154.189 2.219 5.824 1.00 0.18 N ATOM 1742 CA LEU B 23 154.087 1.726 4.421 1.00 0.18 C ATOM 1743 C LEU B 23 155.437 1.889 3.724 1.00 0.18 C ATOM 1744 O LEU B 23 156.116 2.886 3.870 1.00 0.18 O ATOM 1745 CB LEU B 23 153.027 2.528 3.660 1.00 0.19 C ATOM 1746 CG LEU B 23 151.635 2.274 4.259 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.617 3.190 3.567 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.228 0.799 4.058 1.00 0.24 C ATOM 0 H LEU B 23 153.563 2.989 6.062 1.00 0.18 H new ATOM 0 HA LEU B 23 153.803 0.674 4.434 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.262 3.591 3.707 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.034 2.246 2.607 1.00 0.19 H new ATOM 0 HG LEU B 23 151.658 2.487 5.328 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.626 3.016 3.987 1.00 0.23 H new ATOM 0 HD12 LEU B 23 150.899 4.231 3.723 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.601 2.975 2.499 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.240 0.633 4.487 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.204 0.570 2.993 1.00 0.24 H new ATOM 0 HD23 LEU B 23 151.952 0.151 4.552 1.00 0.24 H new ATOM 1760 N ALA B 24 155.823 0.906 2.969 1.00 0.18 N ATOM 1761 CA ALA B 24 157.127 0.985 2.257 1.00 0.19 C ATOM 1762 C ALA B 24 157.084 2.108 1.217 1.00 0.19 C ATOM 1763 O ALA B 24 156.129 2.262 0.481 1.00 0.20 O ATOM 1764 CB ALA B 24 157.410 -0.345 1.560 1.00 0.21 C ATOM 0 H ALA B 24 155.293 0.049 2.812 1.00 0.18 H new ATOM 0 HA ALA B 24 157.917 1.194 2.978 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.365 -0.286 1.039 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.449 -1.143 2.301 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.617 -0.556 0.842 1.00 0.21 H new ATOM 1770 N GLY B 25 158.123 2.896 1.167 1.00 0.20 N ATOM 1771 CA GLY B 25 158.174 4.027 0.189 1.00 0.21 C ATOM 1772 C GLY B 25 157.777 5.324 0.897 1.00 0.20 C ATOM 1773 O GLY B 25 158.087 6.408 0.445 1.00 0.22 O ATOM 0 H GLY B 25 158.945 2.807 1.764 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.177 4.118 -0.227 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.499 3.833 -0.645 1.00 0.21 H new ATOM 1777 N ILE B 26 157.101 5.220 2.012 1.00 0.20 N ATOM 1778 CA ILE B 26 156.691 6.445 2.766 1.00 0.21 C ATOM 1779 C ILE B 26 157.678 6.657 3.908 1.00 0.23 C ATOM 1780 O ILE B 26 157.762 5.851 4.813 1.00 0.25 O ATOM 1781 CB ILE B 26 155.292 6.251 3.353 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.305 5.847 2.248 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.832 7.559 4.001 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.375 6.833 1.077 1.00 0.24 C ATOM 0 H ILE B 26 156.814 4.337 2.435 1.00 0.20 H new ATOM 0 HA ILE B 26 156.684 7.305 2.096 1.00 0.21 H new ATOM 0 HB ILE B 26 155.323 5.460 4.102 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.535 4.841 1.898 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.292 5.821 2.649 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.835 7.426 4.421 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.526 7.836 4.795 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.807 8.348 3.250 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.669 6.530 0.304 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.122 7.833 1.428 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.384 6.837 0.665 1.00 0.24 H new ATOM 1796 N GLY B 27 158.426 7.727 3.893 1.00 0.24 N ATOM 1797 CA GLY B 27 159.397 7.969 4.998 1.00 0.27 C ATOM 1798 C GLY B 27 158.744 8.840 6.072 1.00 0.28 C ATOM 1799 O GLY B 27 157.610 9.261 5.945 1.00 0.27 O ATOM 0 H GLY B 27 158.407 8.442 3.166 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.717 7.020 5.429 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.290 8.460 4.610 1.00 0.27 H new ATOM 1803 N GLU B 28 159.449 9.102 7.132 1.00 0.30 N ATOM 1804 CA GLU B 28 158.867 9.932 8.221 1.00 0.32 C ATOM 1805 C GLU B 28 158.419 11.286 7.663 1.00 0.32 C ATOM 1806 O GLU B 28 157.387 11.807 8.036 1.00 0.35 O ATOM 1807 CB GLU B 28 159.911 10.144 9.318 1.00 0.36 C ATOM 1808 CG GLU B 28 160.153 8.822 10.050 1.00 0.39 C ATOM 1809 CD GLU B 28 161.197 9.027 11.148 1.00 1.27 C ATOM 1810 OE1 GLU B 28 161.804 10.085 11.171 1.00 2.00 O ATOM 1811 OE2 GLU B 28 161.373 8.122 11.947 1.00 1.64 O ATOM 0 H GLU B 28 160.403 8.778 7.293 1.00 0.30 H new ATOM 0 HA GLU B 28 158.002 9.418 8.640 1.00 0.32 H new ATOM 0 HB2 GLU B 28 160.842 10.508 8.884 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.568 10.904 10.020 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.221 8.459 10.484 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.495 8.063 9.347 1.00 0.39 H new ATOM 1818 N VAL B 29 159.184 11.868 6.780 1.00 0.31 N ATOM 1819 CA VAL B 29 158.787 13.192 6.219 1.00 0.33 C ATOM 1820 C VAL B 29 157.516 13.037 5.378 1.00 0.33 C ATOM 1821 O VAL B 29 156.596 13.825 5.478 1.00 0.35 O ATOM 1822 CB VAL B 29 159.926 13.733 5.347 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.449 14.962 4.567 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.106 14.120 6.243 1.00 0.35 C ATOM 0 H VAL B 29 160.061 11.488 6.424 1.00 0.31 H new ATOM 0 HA VAL B 29 158.590 13.890 7.033 1.00 0.33 H new ATOM 0 HB VAL B 29 160.237 12.963 4.640 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.264 15.340 3.950 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.610 14.685 3.929 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.133 15.737 5.266 1.00 0.38 H new ATOM 0 HG21 VAL B 29 161.919 14.505 5.628 1.00 0.35 H new ATOM 0 HG22 VAL B 29 160.790 14.888 6.949 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.450 13.243 6.791 1.00 0.35 H new ATOM 1834 N LEU B 30 157.458 12.036 4.544 1.00 0.32 N ATOM 1835 CA LEU B 30 156.252 11.837 3.690 1.00 0.33 C ATOM 1836 C LEU B 30 155.056 11.483 4.573 1.00 0.32 C ATOM 1837 O LEU B 30 153.944 11.906 4.331 1.00 0.33 O ATOM 1838 CB LEU B 30 156.502 10.703 2.693 1.00 0.33 C ATOM 1839 CG LEU B 30 157.650 11.079 1.746 1.00 0.35 C ATOM 1840 CD1 LEU B 30 157.964 9.883 0.842 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.257 12.296 0.883 1.00 0.40 C ATOM 0 H LEU B 30 158.197 11.344 4.416 1.00 0.32 H new ATOM 0 HA LEU B 30 156.044 12.757 3.143 1.00 0.33 H new ATOM 0 HB2 LEU B 30 156.747 9.785 3.228 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.596 10.506 2.119 1.00 0.33 H new ATOM 0 HG LEU B 30 158.530 11.340 2.334 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.779 10.142 0.166 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.258 9.031 1.455 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.079 9.624 0.261 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.081 12.551 0.217 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.374 12.053 0.292 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.038 13.145 1.530 1.00 0.40 H new ATOM 1853 N GLY B 31 155.278 10.709 5.595 1.00 0.33 N ATOM 1854 CA GLY B 31 154.153 10.331 6.492 1.00 0.34 C ATOM 1855 C GLY B 31 153.542 11.599 7.092 1.00 0.35 C ATOM 1856 O GLY B 31 152.341 11.719 7.223 1.00 0.36 O ATOM 0 H GLY B 31 156.187 10.322 5.848 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.398 9.777 5.935 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.509 9.674 7.285 1.00 0.34 H new ATOM 1860 N LYS B 32 154.363 12.545 7.455 1.00 0.35 N ATOM 1861 CA LYS B 32 153.835 13.807 8.046 1.00 0.37 C ATOM 1862 O LYS B 32 151.963 15.125 7.338 1.00 0.38 O ATOM 1863 CB LYS B 32 154.997 14.698 8.481 1.00 0.40 C ATOM 1864 CG LYS B 32 154.441 15.987 9.092 1.00 1.18 C ATOM 1865 CD LYS B 32 155.572 16.778 9.758 1.00 1.36 C ATOM 1866 CE LYS B 32 156.630 17.159 8.717 1.00 2.07 C ATOM 1867 NZ LYS B 32 157.539 16.002 8.482 1.00 2.75 N ATOM 0 H LYS B 32 155.378 12.499 7.368 1.00 0.35 H new ATOM 0 HB2 LYS B 32 155.619 14.176 9.208 1.00 0.40 H new ATOM 0 HB3 LYS B 32 155.632 14.931 7.626 1.00 0.40 H new ATOM 0 HG2 LYS B 32 153.969 16.592 8.318 1.00 1.18 H new ATOM 0 HG3 LYS B 32 153.671 15.749 9.826 1.00 1.18 H new ATOM 0 HD2 LYS B 32 155.171 17.677 10.227 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.027 16.182 10.549 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.148 17.451 7.784 1.00 2.07 H new ATOM 0 HE3 LYS B 32 157.202 18.020 9.063 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 158.528 16.316 8.557 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 157.355 15.266 9.193 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.370 15.615 7.532 1.00 2.75 H new ATOM 1881 N LYS B 33 153.403 14.583 5.772 1.00 0.35 N ATOM 1882 CA LYS B 33 152.609 15.319 4.744 1.00 0.36 C ATOM 1883 C LYS B 33 151.264 14.623 4.539 1.00 0.34 C ATOM 1884 O LYS B 33 150.223 15.250 4.570 1.00 0.36 O ATOM 1885 CB LYS B 33 153.386 15.343 3.425 1.00 0.36 C ATOM 1886 CG LYS B 33 154.606 16.258 3.568 1.00 0.39 C ATOM 1887 CD LYS B 33 155.382 16.284 2.249 1.00 0.64 C ATOM 1888 CE LYS B 33 156.602 17.198 2.387 1.00 0.66 C ATOM 1889 NZ LYS B 33 156.159 18.619 2.305 1.00 1.56 N ATOM 0 HA LYS B 33 152.435 16.341 5.080 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.703 14.335 3.159 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.744 15.698 2.619 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.289 17.266 3.835 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.249 15.902 4.373 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.699 15.276 1.982 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.738 16.639 1.444 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.103 17.015 3.337 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.324 16.983 1.599 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 156.992 19.241 2.279 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.596 18.758 1.442 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 155.580 18.851 3.137 1.00 1.56 H new ATOM 1903 N LEU B 34 151.265 13.333 4.358 1.00 0.32 N ATOM 1904 CA LEU B 34 149.974 12.612 4.187 1.00 0.31 C ATOM 1905 C LEU B 34 149.140 12.827 5.456 1.00 0.31 C ATOM 1906 O LEU B 34 147.936 12.985 5.414 1.00 0.32 O ATOM 1907 CB LEU B 34 150.238 11.119 3.968 1.00 0.28 C ATOM 1908 CG LEU B 34 151.028 10.909 2.669 1.00 0.29 C ATOM 1909 CD1 LEU B 34 151.481 9.448 2.590 1.00 0.29 C ATOM 1910 CD2 LEU B 34 150.151 11.246 1.445 1.00 0.33 C ATOM 0 H LEU B 34 152.100 12.748 4.321 1.00 0.32 H new ATOM 0 HA LEU B 34 149.436 12.992 3.319 1.00 0.31 H new ATOM 0 HB2 LEU B 34 150.796 10.713 4.812 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.293 10.578 3.920 1.00 0.28 H new ATOM 0 HG LEU B 34 151.896 11.569 2.667 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.043 9.291 1.670 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.115 9.217 3.446 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.608 8.795 2.598 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.726 11.092 0.532 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.275 10.598 1.436 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.832 12.287 1.502 1.00 0.33 H new ATOM 1922 N GLU B 35 149.794 12.825 6.583 1.00 0.31 N ATOM 1923 CA GLU B 35 149.066 13.021 7.872 1.00 0.34 C ATOM 1924 C GLU B 35 148.364 14.381 7.852 1.00 0.37 C ATOM 1925 O GLU B 35 147.228 14.513 8.266 1.00 0.39 O ATOM 1926 CB GLU B 35 150.073 12.973 9.029 1.00 0.35 C ATOM 1927 CG GLU B 35 149.350 13.163 10.367 1.00 0.92 C ATOM 1928 CD GLU B 35 150.370 13.112 11.506 1.00 1.02 C ATOM 1929 OE1 GLU B 35 151.521 12.815 11.231 1.00 1.35 O ATOM 1930 OE2 GLU B 35 149.984 13.374 12.633 1.00 1.68 O ATOM 0 H GLU B 35 150.802 12.696 6.670 1.00 0.31 H new ATOM 0 HA GLU B 35 148.323 12.234 8.005 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.599 12.018 9.024 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.825 13.752 8.899 1.00 0.35 H new ATOM 0 HG2 GLU B 35 148.825 14.118 10.377 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.599 12.384 10.501 1.00 0.92 H new ATOM 1937 N GLU B 36 149.030 15.388 7.365 1.00 0.39 N ATOM 1938 CA GLU B 36 148.409 16.741 7.303 1.00 0.44 C ATOM 1939 C GLU B 36 147.252 16.704 6.303 1.00 0.45 C ATOM 1940 O GLU B 36 146.384 17.554 6.298 1.00 0.49 O ATOM 1941 CB GLU B 36 149.462 17.756 6.847 1.00 0.46 C ATOM 1942 CG GLU B 36 148.881 19.170 6.905 1.00 1.11 C ATOM 1943 CD GLU B 36 149.946 20.176 6.464 1.00 1.38 C ATOM 1944 OE1 GLU B 36 151.091 19.774 6.325 1.00 1.85 O ATOM 1945 OE2 GLU B 36 149.603 21.331 6.279 1.00 1.99 O ATOM 0 H GLU B 36 149.983 15.333 7.005 1.00 0.39 H new ATOM 0 HA GLU B 36 148.034 17.032 8.284 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.344 17.689 7.484 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.784 17.527 5.831 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.007 19.242 6.258 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.548 19.397 7.918 1.00 1.11 H new ATOM 1952 N ARG B 37 147.253 15.724 5.443 1.00 0.42 N ATOM 1953 CA ARG B 37 146.175 15.618 4.415 1.00 0.45 C ATOM 1954 C ARG B 37 145.006 14.778 4.953 1.00 0.42 C ATOM 1955 O ARG B 37 144.021 14.581 4.268 1.00 0.43 O ATOM 1956 CB ARG B 37 146.745 14.952 3.157 1.00 0.45 C ATOM 1957 CG ARG B 37 147.797 15.856 2.497 1.00 0.52 C ATOM 1958 CD ARG B 37 147.126 16.955 1.660 1.00 0.86 C ATOM 1959 NE ARG B 37 148.169 17.675 0.876 1.00 1.42 N ATOM 1960 CZ ARG B 37 147.828 18.419 -0.142 1.00 1.87 C ATOM 1961 NH1 ARG B 37 146.576 18.510 -0.496 1.00 2.15 N ATOM 1962 NH2 ARG B 37 148.743 19.065 -0.812 1.00 2.68 N ATOM 0 H ARG B 37 147.957 14.987 5.406 1.00 0.42 H new ATOM 0 HA ARG B 37 145.810 16.617 4.176 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.193 13.993 3.418 1.00 0.45 H new ATOM 0 HB3 ARG B 37 145.940 14.746 2.451 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.425 16.309 3.264 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.450 15.257 1.862 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.386 16.518 0.989 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.596 17.652 2.309 1.00 0.86 H new ATOM 0 HE ARG B 37 149.152 17.587 1.135 1.00 1.42 H new ATOM 0 HH11 ARG B 37 145.861 18.000 0.022 1.00 2.15 H new ATOM 0 HH12 ARG B 37 146.312 19.092 -1.291 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.723 18.989 -0.540 1.00 2.68 H new ATOM 0 HH22 ARG B 37 148.478 19.646 -1.607 1.00 2.68 H new ATOM 1976 N GLY B 38 145.081 14.310 6.180 1.00 0.41 N ATOM 1977 CA GLY B 38 143.943 13.519 6.761 1.00 0.39 C ATOM 1978 C GLY B 38 144.259 12.019 6.795 1.00 0.37 C ATOM 1979 O GLY B 38 143.407 11.217 7.126 1.00 0.49 O ATOM 0 H GLY B 38 145.878 14.441 6.803 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.733 13.870 7.771 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.042 13.689 6.171 1.00 0.39 H new ATOM 1983 N PHE B 39 145.464 11.621 6.468 1.00 0.31 N ATOM 1984 CA PHE B 39 145.820 10.163 6.498 1.00 0.28 C ATOM 1985 C PHE B 39 146.731 9.890 7.700 1.00 0.28 C ATOM 1986 O PHE B 39 147.931 9.757 7.565 1.00 0.28 O ATOM 1987 CB PHE B 39 146.576 9.820 5.217 1.00 0.27 C ATOM 1988 CG PHE B 39 145.655 9.936 4.028 1.00 0.28 C ATOM 1989 CD1 PHE B 39 145.530 11.160 3.366 1.00 0.31 C ATOM 1990 CD2 PHE B 39 144.932 8.824 3.584 1.00 0.27 C ATOM 1991 CE1 PHE B 39 144.681 11.276 2.260 1.00 0.33 C ATOM 1992 CE2 PHE B 39 144.082 8.938 2.477 1.00 0.30 C ATOM 1993 CZ PHE B 39 143.955 10.165 1.815 1.00 0.32 C ATOM 0 H PHE B 39 146.220 12.243 6.181 1.00 0.31 H new ATOM 0 HA PHE B 39 144.916 9.560 6.578 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.426 10.491 5.096 1.00 0.27 H new ATOM 0 HB3 PHE B 39 146.976 8.808 5.281 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.090 12.018 3.709 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.029 7.877 4.095 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.586 12.223 1.749 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.524 8.079 2.134 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.298 10.254 0.962 1.00 0.32 H new ATOM 2003 N ASP B 40 146.175 9.845 8.882 1.00 0.30 N ATOM 2004 CA ASP B 40 147.025 9.627 10.091 1.00 0.31 C ATOM 2005 C ASP B 40 147.407 8.151 10.238 1.00 0.29 C ATOM 2006 O ASP B 40 148.202 7.801 11.087 1.00 0.30 O ATOM 2007 CB ASP B 40 146.259 10.076 11.339 1.00 0.35 C ATOM 2008 CG ASP B 40 145.063 9.148 11.569 1.00 0.37 C ATOM 2009 OD1 ASP B 40 144.662 8.486 10.625 1.00 0.36 O ATOM 2010 OD2 ASP B 40 144.571 9.113 12.685 1.00 0.41 O ATOM 0 H ASP B 40 145.177 9.949 9.063 1.00 0.30 H new ATOM 0 HA ASP B 40 147.938 10.211 9.978 1.00 0.31 H new ATOM 0 HB2 ASP B 40 146.917 10.060 12.208 1.00 0.35 H new ATOM 0 HB3 ASP B 40 145.917 11.104 11.218 1.00 0.35 H new ATOM 2015 N LYS B 41 146.854 7.279 9.432 1.00 0.28 N ATOM 2016 CA LYS B 41 147.198 5.823 9.545 1.00 0.28 C ATOM 2017 C LYS B 41 147.374 5.204 8.157 1.00 0.23 C ATOM 2018 O LYS B 41 146.917 5.729 7.161 1.00 0.23 O ATOM 2019 CB LYS B 41 146.095 5.107 10.322 1.00 0.33 C ATOM 2020 CG LYS B 41 146.156 5.552 11.786 1.00 0.47 C ATOM 2021 CD LYS B 41 145.062 4.848 12.584 1.00 0.74 C ATOM 2022 CE LYS B 41 145.126 5.284 14.048 1.00 0.71 C ATOM 2023 NZ LYS B 41 143.936 4.755 14.772 1.00 1.56 N ATOM 0 H LYS B 41 146.180 7.509 8.701 1.00 0.28 H new ATOM 0 HA LYS B 41 148.142 5.713 10.080 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.120 5.342 9.896 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.222 4.027 10.250 1.00 0.33 H new ATOM 0 HG2 LYS B 41 147.134 5.318 12.207 1.00 0.47 H new ATOM 0 HG3 LYS B 41 146.030 6.633 11.853 1.00 0.47 H new ATOM 0 HD2 LYS B 41 144.084 5.087 12.166 1.00 0.74 H new ATOM 0 HD3 LYS B 41 145.184 3.767 12.511 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.041 4.914 14.510 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.153 6.372 14.115 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 144.087 4.840 15.797 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 143.093 5.300 14.500 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 143.796 3.755 14.525 1.00 1.56 H new ATOM 2037 N ALA B 42 148.072 4.102 8.092 1.00 0.21 N ATOM 2038 CA ALA B 42 148.338 3.434 6.783 1.00 0.20 C ATOM 2039 C ALA B 42 147.058 2.875 6.155 1.00 0.18 C ATOM 2040 O ALA B 42 146.883 2.934 4.954 1.00 0.18 O ATOM 2041 CB ALA B 42 149.326 2.288 7.005 1.00 0.21 C ATOM 0 H ALA B 42 148.475 3.629 8.901 1.00 0.21 H new ATOM 0 HA ALA B 42 148.748 4.178 6.101 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.528 1.793 6.055 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.256 2.683 7.413 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.899 1.570 7.705 1.00 0.21 H new ATOM 2047 N TYR B 43 146.180 2.294 6.924 1.00 0.18 N ATOM 2048 CA TYR B 43 144.958 1.704 6.311 1.00 0.18 C ATOM 2049 C TYR B 43 144.137 2.792 5.614 1.00 0.17 C ATOM 2050 O TYR B 43 143.325 2.510 4.753 1.00 0.17 O ATOM 2051 CB TYR B 43 144.128 0.956 7.369 1.00 0.20 C ATOM 2052 CG TYR B 43 143.227 1.888 8.143 1.00 0.21 C ATOM 2053 CD1 TYR B 43 142.033 2.332 7.568 1.00 0.21 C ATOM 2054 CD2 TYR B 43 143.562 2.276 9.444 1.00 0.24 C ATOM 2055 CE1 TYR B 43 141.173 3.161 8.290 1.00 0.25 C ATOM 2056 CE2 TYR B 43 142.705 3.111 10.166 1.00 0.28 C ATOM 2057 CZ TYR B 43 141.509 3.554 9.591 1.00 0.27 C ATOM 2058 OH TYR B 43 140.662 4.372 10.309 1.00 0.32 O ATOM 0 H TYR B 43 146.253 2.203 7.937 1.00 0.18 H new ATOM 0 HA TYR B 43 145.257 0.976 5.556 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.525 0.190 6.882 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.798 0.443 8.059 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.775 2.033 6.563 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.483 1.931 9.891 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.249 3.499 7.845 1.00 0.25 H new ATOM 0 HE2 TYR B 43 142.966 3.415 11.169 1.00 0.28 H new ATOM 0 HH TYR B 43 141.047 4.546 11.193 1.00 0.32 H new ATOM 2068 N VAL B 44 144.363 4.033 5.944 1.00 0.18 N ATOM 2069 CA VAL B 44 143.615 5.124 5.257 1.00 0.18 C ATOM 2070 C VAL B 44 144.291 5.376 3.906 1.00 0.17 C ATOM 2071 O VAL B 44 143.667 5.729 2.922 1.00 0.17 O ATOM 2072 CB VAL B 44 143.659 6.398 6.105 1.00 0.20 C ATOM 2073 CG1 VAL B 44 142.714 7.453 5.508 1.00 0.21 C ATOM 2074 CG2 VAL B 44 143.226 6.068 7.536 1.00 0.24 C ATOM 0 H VAL B 44 145.028 4.338 6.654 1.00 0.18 H new ATOM 0 HA VAL B 44 142.572 4.840 5.115 1.00 0.18 H new ATOM 0 HB VAL B 44 144.674 6.794 6.113 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.749 8.358 6.115 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.026 7.687 4.490 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.696 7.064 5.495 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.256 6.973 8.143 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.211 5.671 7.527 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.902 5.325 7.959 1.00 0.24 H new ATOM 2084 N VAL B 45 145.582 5.171 3.875 1.00 0.17 N ATOM 2085 CA VAL B 45 146.356 5.369 2.617 1.00 0.17 C ATOM 2086 C VAL B 45 146.127 4.152 1.725 1.00 0.15 C ATOM 2087 O VAL B 45 145.987 4.267 0.524 1.00 0.15 O ATOM 2088 CB VAL B 45 147.848 5.517 2.935 1.00 0.18 C ATOM 2089 CG1 VAL B 45 148.655 5.513 1.631 1.00 0.22 C ATOM 2090 CG2 VAL B 45 148.087 6.835 3.687 1.00 0.20 C ATOM 0 H VAL B 45 146.137 4.872 4.677 1.00 0.17 H new ATOM 0 HA VAL B 45 146.026 6.275 2.109 1.00 0.17 H new ATOM 0 HB VAL B 45 148.168 4.683 3.560 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.716 5.618 1.859 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.489 4.574 1.103 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.335 6.344 1.002 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.149 6.938 3.912 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.765 7.671 3.067 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.518 6.832 4.616 1.00 0.20 H new ATOM 2100 N LEU B 46 146.042 2.988 2.309 1.00 0.17 N ATOM 2101 CA LEU B 46 145.766 1.776 1.494 1.00 0.17 C ATOM 2102 C LEU B 46 144.421 1.995 0.810 1.00 0.17 C ATOM 2103 O LEU B 46 144.192 1.583 -0.309 1.00 0.17 O ATOM 2104 CB LEU B 46 145.708 0.543 2.410 1.00 0.22 C ATOM 2105 CG LEU B 46 145.140 -0.677 1.663 1.00 0.25 C ATOM 2106 CD1 LEU B 46 145.956 -0.962 0.398 1.00 0.40 C ATOM 2107 CD2 LEU B 46 145.206 -1.897 2.583 1.00 0.35 C ATOM 0 H LEU B 46 146.151 2.826 3.310 1.00 0.17 H new ATOM 0 HA LEU B 46 146.548 1.609 0.753 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.707 0.314 2.780 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.089 0.761 3.280 1.00 0.22 H new ATOM 0 HG LEU B 46 144.109 -0.468 1.378 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.539 -1.828 -0.116 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.919 -0.095 -0.262 1.00 0.40 H new ATOM 0 HD13 LEU B 46 146.991 -1.166 0.671 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.806 -2.767 2.063 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.242 -2.086 2.862 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.617 -1.708 3.481 1.00 0.35 H new ATOM 2119 N GLY B 47 143.528 2.657 1.498 1.00 0.17 N ATOM 2120 CA GLY B 47 142.181 2.936 0.939 1.00 0.18 C ATOM 2121 C GLY B 47 142.301 3.759 -0.341 1.00 0.17 C ATOM 2122 O GLY B 47 141.627 3.501 -1.318 1.00 0.18 O ATOM 0 H GLY B 47 143.682 3.020 2.439 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.665 1.999 0.730 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.580 3.475 1.671 1.00 0.18 H new ATOM 2126 N GLN B 48 143.149 4.751 -0.349 1.00 0.17 N ATOM 2127 CA GLN B 48 143.292 5.583 -1.574 1.00 0.18 C ATOM 2128 C GLN B 48 143.737 4.691 -2.737 1.00 0.17 C ATOM 2129 O GLN B 48 143.255 4.812 -3.845 1.00 0.18 O ATOM 2130 CB GLN B 48 144.333 6.677 -1.328 1.00 0.18 C ATOM 2131 CG GLN B 48 144.249 7.724 -2.440 1.00 0.22 C ATOM 2132 CD GLN B 48 142.944 8.512 -2.304 1.00 0.28 C ATOM 2133 OE1 GLN B 48 142.659 9.064 -1.259 1.00 0.97 O ATOM 2134 NE2 GLN B 48 142.133 8.590 -3.323 1.00 1.09 N ATOM 0 H GLN B 48 143.745 5.019 0.435 1.00 0.17 H new ATOM 0 HA GLN B 48 142.337 6.048 -1.819 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.161 7.146 -0.359 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.332 6.242 -1.298 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.102 8.400 -2.382 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.293 7.238 -3.415 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.371 8.127 -4.200 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.261 9.114 -3.242 1.00 1.09 H new ATOM 2143 N PHE B 49 144.635 3.778 -2.484 1.00 0.17 N ATOM 2144 CA PHE B 49 145.092 2.855 -3.563 1.00 0.17 C ATOM 2145 C PHE B 49 143.886 2.069 -4.078 1.00 0.18 C ATOM 2146 O PHE B 49 143.722 1.854 -5.262 1.00 0.19 O ATOM 2147 CB PHE B 49 146.128 1.886 -2.985 1.00 0.18 C ATOM 2148 CG PHE B 49 146.565 0.907 -4.047 1.00 0.20 C ATOM 2149 CD1 PHE B 49 147.657 1.201 -4.872 1.00 0.24 C ATOM 2150 CD2 PHE B 49 145.876 -0.301 -4.201 1.00 0.27 C ATOM 2151 CE1 PHE B 49 148.058 0.284 -5.852 1.00 0.27 C ATOM 2152 CE2 PHE B 49 146.276 -1.217 -5.178 1.00 0.31 C ATOM 2153 CZ PHE B 49 147.367 -0.925 -6.005 1.00 0.27 C ATOM 0 H PHE B 49 145.073 3.631 -1.575 1.00 0.17 H new ATOM 0 HA PHE B 49 145.540 3.420 -4.380 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.989 2.441 -2.613 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.703 1.350 -2.136 1.00 0.18 H new ATOM 0 HD1 PHE B 49 148.189 2.133 -4.753 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.034 -0.526 -3.564 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.900 0.509 -6.490 1.00 0.27 H new ATOM 0 HE2 PHE B 49 145.744 -2.149 -5.295 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.676 -1.632 -6.761 1.00 0.27 H new ATOM 2163 N LEU B 50 143.051 1.644 -3.186 1.00 0.18 N ATOM 2164 CA LEU B 50 141.851 0.870 -3.600 1.00 0.20 C ATOM 2165 C LEU B 50 140.880 1.817 -4.326 1.00 0.21 C ATOM 2166 O LEU B 50 140.262 1.453 -5.308 1.00 0.23 O ATOM 2167 CB LEU B 50 141.200 0.254 -2.352 1.00 0.22 C ATOM 2168 CG LEU B 50 142.181 -0.719 -1.666 1.00 0.23 C ATOM 2169 CD1 LEU B 50 141.658 -1.079 -0.266 1.00 0.27 C ATOM 2170 CD2 LEU B 50 142.326 -2.010 -2.488 1.00 0.27 C ATOM 0 H LEU B 50 143.144 1.797 -2.182 1.00 0.18 H new ATOM 0 HA LEU B 50 142.123 0.062 -4.280 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.912 1.042 -1.656 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.288 -0.274 -2.631 1.00 0.22 H new ATOM 0 HG LEU B 50 143.153 -0.231 -1.590 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.353 -1.766 0.216 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.569 -0.173 0.333 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.681 -1.553 -0.354 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.022 -2.684 -1.988 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.354 -2.495 -2.579 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.705 -1.768 -3.481 1.00 0.27 H new ATOM 2182 N VAL B 51 140.736 3.025 -3.848 1.00 0.21 N ATOM 2183 CA VAL B 51 139.800 3.997 -4.502 1.00 0.23 C ATOM 2184 C VAL B 51 140.331 4.413 -5.885 1.00 0.23 C ATOM 2185 O VAL B 51 139.576 4.812 -6.751 1.00 0.25 O ATOM 2186 CB VAL B 51 139.649 5.240 -3.612 1.00 0.25 C ATOM 2187 CG1 VAL B 51 138.902 6.344 -4.370 1.00 0.28 C ATOM 2188 CG2 VAL B 51 138.855 4.871 -2.357 1.00 0.27 C ATOM 0 H VAL B 51 141.227 3.385 -3.030 1.00 0.21 H new ATOM 0 HA VAL B 51 138.830 3.517 -4.632 1.00 0.23 H new ATOM 0 HB VAL B 51 140.640 5.601 -3.335 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.801 7.220 -3.730 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.461 6.612 -5.266 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.913 5.985 -4.653 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.746 5.751 -1.723 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.869 4.507 -2.644 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.384 4.092 -1.808 1.00 0.27 H new ATOM 2198 N LEU B 52 141.618 4.339 -6.094 1.00 0.22 N ATOM 2199 CA LEU B 52 142.183 4.751 -7.422 1.00 0.23 C ATOM 2200 C LEU B 52 142.210 3.549 -8.368 1.00 0.23 C ATOM 2201 O LEU B 52 142.865 3.568 -9.392 1.00 0.24 O ATOM 2202 CB LEU B 52 143.597 5.311 -7.242 1.00 0.24 C ATOM 2203 CG LEU B 52 143.543 6.671 -6.515 1.00 0.25 C ATOM 2204 CD1 LEU B 52 144.971 7.158 -6.248 1.00 0.30 C ATOM 2205 CD2 LEU B 52 142.799 7.718 -7.377 1.00 0.27 C ATOM 0 H LEU B 52 142.302 4.014 -5.411 1.00 0.22 H new ATOM 0 HA LEU B 52 141.551 5.528 -7.852 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.204 4.609 -6.671 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.076 5.429 -8.214 1.00 0.24 H new ATOM 0 HG LEU B 52 143.007 6.546 -5.574 1.00 0.25 H new ATOM 0 HD11 LEU B 52 144.938 8.119 -5.734 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.493 6.431 -5.625 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.500 7.271 -7.194 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.771 8.671 -6.848 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.320 7.845 -8.326 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.781 7.377 -7.565 1.00 0.27 H new ATOM 2217 N LYS B 53 141.492 2.512 -8.045 1.00 0.23 N ATOM 2218 CA LYS B 53 141.455 1.314 -8.933 1.00 0.24 C ATOM 2219 C LYS B 53 142.875 0.843 -9.260 1.00 0.24 C ATOM 2220 O LYS B 53 143.185 0.542 -10.396 1.00 0.30 O ATOM 2221 CB LYS B 53 140.731 1.665 -10.236 1.00 0.29 C ATOM 2222 CG LYS B 53 139.251 1.916 -9.948 1.00 0.39 C ATOM 2223 CD LYS B 53 138.508 2.186 -11.263 1.00 0.48 C ATOM 2224 CE LYS B 53 139.025 3.478 -11.917 1.00 0.92 C ATOM 2225 NZ LYS B 53 140.173 3.156 -12.811 1.00 1.71 N ATOM 0 H LYS B 53 140.925 2.440 -7.200 1.00 0.23 H new ATOM 0 HA LYS B 53 140.926 0.514 -8.415 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.180 2.551 -10.686 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.839 0.853 -10.954 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.817 1.052 -9.444 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.140 2.766 -9.275 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.645 1.346 -11.944 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.438 2.271 -11.073 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.228 3.954 -12.488 1.00 0.92 H new ATOM 0 HE3 LYS B 53 139.335 4.188 -11.150 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 141.037 3.600 -12.440 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 140.303 2.125 -12.851 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 139.981 3.518 -13.767 1.00 1.71 H new ATOM 2239 N LYS B 54 143.747 0.770 -8.281 1.00 0.23 N ATOM 2240 CA LYS B 54 145.154 0.317 -8.504 1.00 0.26 C ATOM 2241 C LYS B 54 145.729 0.887 -9.801 1.00 0.28 C ATOM 2242 O LYS B 54 146.724 0.401 -10.300 1.00 0.34 O ATOM 2243 CB LYS B 54 145.224 -1.222 -8.537 1.00 0.36 C ATOM 2244 CG LYS B 54 144.391 -1.795 -9.695 1.00 0.67 C ATOM 2245 CD LYS B 54 144.642 -3.300 -9.805 1.00 0.83 C ATOM 2246 CE LYS B 54 143.832 -3.867 -10.972 1.00 1.41 C ATOM 2247 NZ LYS B 54 144.030 -5.342 -11.044 1.00 2.25 N ATOM 0 H LYS B 54 143.534 1.012 -7.313 1.00 0.23 H new ATOM 0 HA LYS B 54 145.753 0.689 -7.673 1.00 0.26 H new ATOM 0 HB2 LYS B 54 146.262 -1.539 -8.641 1.00 0.36 H new ATOM 0 HB3 LYS B 54 144.861 -1.625 -7.591 1.00 0.36 H new ATOM 0 HG2 LYS B 54 143.332 -1.603 -9.525 1.00 0.67 H new ATOM 0 HG3 LYS B 54 144.659 -1.301 -10.629 1.00 0.67 H new ATOM 0 HD2 LYS B 54 145.704 -3.492 -9.958 1.00 0.83 H new ATOM 0 HD3 LYS B 54 144.359 -3.796 -8.877 1.00 0.83 H new ATOM 0 HE2 LYS B 54 142.775 -3.637 -10.840 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.145 -3.401 -11.906 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 143.479 -5.728 -11.837 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 145.039 -5.550 -11.189 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 143.710 -5.779 -10.156 1.00 2.25 H new ATOM 2261 N ASP B 55 145.163 1.929 -10.334 1.00 0.30 N ATOM 2262 CA ASP B 55 145.766 2.507 -11.569 1.00 0.39 C ATOM 2263 C ASP B 55 147.133 3.078 -11.173 1.00 0.38 C ATOM 2264 O ASP B 55 147.229 3.980 -10.365 1.00 0.37 O ATOM 2265 CB ASP B 55 144.865 3.615 -12.113 1.00 0.47 C ATOM 2266 CG ASP B 55 143.645 2.995 -12.796 1.00 1.18 C ATOM 2267 OD1 ASP B 55 143.797 1.941 -13.392 1.00 1.80 O ATOM 2268 OD2 ASP B 55 142.580 3.582 -12.708 1.00 1.54 O ATOM 0 H ASP B 55 144.329 2.399 -9.981 1.00 0.30 H new ATOM 0 HA ASP B 55 145.875 1.751 -12.347 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.547 4.270 -11.302 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.417 4.231 -12.822 1.00 0.47 H new ATOM 2273 N GLU B 56 148.191 2.523 -11.697 1.00 0.39 N ATOM 2274 CA GLU B 56 149.560 2.984 -11.316 1.00 0.38 C ATOM 2275 C GLU B 56 149.820 4.449 -11.695 1.00 0.38 C ATOM 2276 O GLU B 56 150.438 5.180 -10.953 1.00 0.38 O ATOM 2277 CB GLU B 56 150.592 2.091 -12.012 1.00 0.40 C ATOM 2278 CG GLU B 56 152.006 2.498 -11.583 1.00 0.41 C ATOM 2279 CD GLU B 56 153.017 1.517 -12.177 1.00 0.63 C ATOM 2280 OE1 GLU B 56 152.587 0.526 -12.747 1.00 0.88 O ATOM 2281 OE2 GLU B 56 154.203 1.770 -12.050 1.00 0.85 O ATOM 0 H GLU B 56 148.168 1.764 -12.378 1.00 0.39 H new ATOM 0 HA GLU B 56 149.643 2.913 -10.232 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.412 1.046 -11.759 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.491 2.178 -13.094 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.223 3.511 -11.921 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.081 2.502 -10.496 1.00 0.41 H new ATOM 2288 N ASP B 57 149.379 4.892 -12.839 1.00 0.40 N ATOM 2289 CA ASP B 57 149.647 6.311 -13.225 1.00 0.42 C ATOM 2290 C ASP B 57 148.833 7.261 -12.347 1.00 0.41 C ATOM 2291 O ASP B 57 149.313 8.295 -11.924 1.00 0.41 O ATOM 2292 CB ASP B 57 149.259 6.524 -14.688 1.00 0.45 C ATOM 2293 CG ASP B 57 150.244 5.781 -15.593 1.00 0.47 C ATOM 2294 OD1 ASP B 57 151.328 5.474 -15.130 1.00 0.65 O ATOM 2295 OD2 ASP B 57 149.895 5.535 -16.736 1.00 0.74 O ATOM 0 H ASP B 57 148.851 4.343 -13.518 1.00 0.40 H new ATOM 0 HA ASP B 57 150.708 6.518 -13.088 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.246 6.163 -14.862 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.263 7.588 -14.925 1.00 0.45 H new ATOM 2300 N LEU B 58 147.617 6.920 -12.060 1.00 0.40 N ATOM 2301 CA LEU B 58 146.799 7.815 -11.197 1.00 0.40 C ATOM 2302 C LEU B 58 147.339 7.759 -9.769 1.00 0.38 C ATOM 2303 O LEU B 58 147.434 8.762 -9.091 1.00 0.38 O ATOM 2304 CB LEU B 58 145.333 7.378 -11.220 1.00 0.41 C ATOM 2305 CG LEU B 58 144.786 7.449 -12.654 1.00 0.47 C ATOM 2306 CD1 LEU B 58 143.352 6.910 -12.673 1.00 0.45 C ATOM 2307 CD2 LEU B 58 144.794 8.907 -13.155 1.00 0.55 C ATOM 0 H LEU B 58 147.153 6.070 -12.379 1.00 0.40 H new ATOM 0 HA LEU B 58 146.860 8.836 -11.573 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.242 6.362 -10.837 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.743 8.019 -10.565 1.00 0.41 H new ATOM 0 HG LEU B 58 145.417 6.848 -13.308 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.959 6.958 -13.688 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.348 5.875 -12.331 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.728 7.513 -12.013 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.404 8.944 -14.172 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.169 9.519 -12.504 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.814 9.290 -13.143 1.00 0.55 H new ATOM 2319 N PHE B 59 147.716 6.595 -9.317 1.00 0.37 N ATOM 2320 CA PHE B 59 148.279 6.477 -7.944 1.00 0.35 C ATOM 2321 C PHE B 59 149.566 7.290 -7.851 1.00 0.36 C ATOM 2322 O PHE B 59 149.763 8.066 -6.938 1.00 0.35 O ATOM 2323 CB PHE B 59 148.569 5.009 -7.623 1.00 0.35 C ATOM 2324 CG PHE B 59 149.200 4.914 -6.255 1.00 0.34 C ATOM 2325 CD1 PHE B 59 148.396 4.762 -5.120 1.00 0.35 C ATOM 2326 CD2 PHE B 59 150.593 4.978 -6.123 1.00 0.37 C ATOM 2327 CE1 PHE B 59 148.983 4.676 -3.852 1.00 0.37 C ATOM 2328 CE2 PHE B 59 151.180 4.890 -4.855 1.00 0.38 C ATOM 2329 CZ PHE B 59 150.375 4.740 -3.720 1.00 0.37 C ATOM 0 H PHE B 59 147.658 5.721 -9.839 1.00 0.37 H new ATOM 0 HA PHE B 59 147.555 6.860 -7.224 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.646 4.429 -7.652 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.236 4.585 -8.374 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.322 4.711 -5.222 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.214 5.095 -6.999 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.362 4.560 -2.976 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.254 4.938 -4.753 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.828 4.674 -2.742 1.00 0.37 H new ATOM 2339 N ARG B 60 150.456 7.096 -8.786 1.00 0.38 N ATOM 2340 CA ARG B 60 151.748 7.830 -8.753 1.00 0.39 C ATOM 2341 C ARG B 60 151.529 9.342 -8.807 1.00 0.40 C ATOM 2342 O ARG B 60 152.126 10.082 -8.051 1.00 0.39 O ATOM 2343 CB ARG B 60 152.606 7.395 -9.941 1.00 0.43 C ATOM 2344 CG ARG B 60 153.096 5.961 -9.725 1.00 0.44 C ATOM 2345 CD ARG B 60 153.855 5.499 -10.967 1.00 0.51 C ATOM 2346 NE ARG B 60 155.104 6.301 -11.098 1.00 1.31 N ATOM 2347 CZ ARG B 60 156.034 5.936 -11.936 1.00 1.54 C ATOM 2348 NH1 ARG B 60 155.855 4.891 -12.698 1.00 1.15 N ATOM 2349 NH2 ARG B 60 157.139 6.622 -12.019 1.00 2.64 N ATOM 0 H ARG B 60 150.341 6.458 -9.573 1.00 0.38 H new ATOM 0 HA ARG B 60 152.254 7.594 -7.817 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.027 7.457 -10.862 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.457 8.067 -10.053 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.743 5.913 -8.849 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.251 5.300 -9.533 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.095 4.439 -10.889 1.00 0.51 H new ATOM 0 HD3 ARG B 60 153.234 5.621 -11.855 1.00 0.51 H new ATOM 0 HE ARG B 60 155.232 7.139 -10.530 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.987 4.359 -12.638 1.00 1.15 H new ATOM 0 HH12 ARG B 60 156.583 4.607 -13.353 1.00 1.15 H new ATOM 0 HH21 ARG B 60 157.275 7.443 -11.429 1.00 2.64 H new ATOM 0 HH22 ARG B 60 157.868 6.338 -12.674 1.00 2.64 H new ATOM 2363 N GLU B 61 150.687 9.821 -9.680 1.00 0.42 N ATOM 2364 CA GLU B 61 150.463 11.290 -9.743 1.00 0.44 C ATOM 2365 C GLU B 61 149.806 11.746 -8.440 1.00 0.42 C ATOM 2366 O GLU B 61 150.080 12.819 -7.941 1.00 0.43 O ATOM 2367 CB GLU B 61 149.547 11.628 -10.923 1.00 0.48 C ATOM 2368 CG GLU B 61 150.287 11.383 -12.241 1.00 1.30 C ATOM 2369 CD GLU B 61 151.424 12.395 -12.393 1.00 1.77 C ATOM 2370 OE1 GLU B 61 151.296 13.486 -11.863 1.00 2.38 O ATOM 2371 OE2 GLU B 61 152.404 12.061 -13.039 1.00 2.33 O ATOM 0 H GLU B 61 150.150 9.265 -10.345 1.00 0.42 H new ATOM 0 HA GLU B 61 151.417 11.800 -9.878 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.646 11.016 -10.882 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.229 12.669 -10.862 1.00 0.48 H new ATOM 0 HG2 GLU B 61 150.686 10.369 -12.262 1.00 1.30 H new ATOM 0 HG3 GLU B 61 149.595 11.471 -13.079 1.00 1.30 H new ATOM 2378 N TRP B 62 148.937 10.947 -7.888 1.00 0.40 N ATOM 2379 CA TRP B 62 148.264 11.349 -6.621 1.00 0.39 C ATOM 2380 C TRP B 62 149.278 11.495 -5.482 1.00 0.36 C ATOM 2381 O TRP B 62 149.275 12.469 -4.761 1.00 0.36 O ATOM 2382 CB TRP B 62 147.222 10.289 -6.220 1.00 0.38 C ATOM 2383 CG TRP B 62 146.726 10.583 -4.834 1.00 0.36 C ATOM 2384 CD1 TRP B 62 145.750 11.468 -4.528 1.00 0.39 C ATOM 2385 CD2 TRP B 62 147.188 10.028 -3.566 1.00 0.34 C ATOM 2386 NE1 TRP B 62 145.583 11.493 -3.153 1.00 0.37 N ATOM 2387 CE2 TRP B 62 146.447 10.621 -2.517 1.00 0.34 C ATOM 2388 CE3 TRP B 62 148.170 9.076 -3.226 1.00 0.32 C ATOM 2389 CZ2 TRP B 62 146.670 10.283 -1.179 1.00 0.34 C ATOM 2390 CZ3 TRP B 62 148.394 8.733 -1.883 1.00 0.31 C ATOM 2391 CH2 TRP B 62 147.646 9.336 -0.863 1.00 0.32 C ATOM 0 H TRP B 62 148.664 10.036 -8.257 1.00 0.40 H new ATOM 0 HA TRP B 62 147.778 12.310 -6.792 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.391 10.294 -6.925 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.665 9.294 -6.257 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.192 12.059 -5.239 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.906 12.082 -2.669 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.754 8.607 -4.004 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.092 10.751 -0.396 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.147 8.000 -1.635 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.825 9.068 0.168 1.00 0.32 H new ATOM 2402 N LEU B 63 150.124 10.525 -5.297 1.00 0.34 N ATOM 2403 CA LEU B 63 151.106 10.603 -4.181 1.00 0.32 C ATOM 2404 C LEU B 63 152.126 11.715 -4.439 1.00 0.33 C ATOM 2405 O LEU B 63 152.416 12.516 -3.571 1.00 0.32 O ATOM 2406 CB LEU B 63 151.823 9.253 -4.055 1.00 0.31 C ATOM 2407 CG LEU B 63 152.849 9.287 -2.913 1.00 0.30 C ATOM 2408 CD1 LEU B 63 152.153 9.569 -1.572 1.00 0.30 C ATOM 2409 CD2 LEU B 63 153.557 7.929 -2.842 1.00 0.32 C ATOM 0 H LEU B 63 150.180 9.682 -5.868 1.00 0.34 H new ATOM 0 HA LEU B 63 150.580 10.832 -3.254 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.094 8.464 -3.872 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.323 9.013 -4.993 1.00 0.31 H new ATOM 0 HG LEU B 63 153.571 10.081 -3.105 1.00 0.30 H new ATOM 0 HD11 LEU B 63 152.895 9.589 -0.774 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.646 10.533 -1.621 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.423 8.785 -1.369 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.288 7.942 -2.034 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.823 7.145 -2.655 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.064 7.733 -3.787 1.00 0.32 H new ATOM 2421 N LYS B 64 152.667 11.779 -5.621 1.00 0.35 N ATOM 2422 CA LYS B 64 153.661 12.848 -5.925 1.00 0.37 C ATOM 2423 C LYS B 64 152.985 14.214 -5.820 1.00 0.38 C ATOM 2424 O LYS B 64 153.502 15.139 -5.225 1.00 0.38 O ATOM 2425 CB LYS B 64 154.219 12.668 -7.337 1.00 0.41 C ATOM 2426 CG LYS B 64 155.245 13.772 -7.616 1.00 0.43 C ATOM 2427 CD LYS B 64 155.967 13.494 -8.939 1.00 0.68 C ATOM 2428 CE LYS B 64 154.968 13.516 -10.102 1.00 1.24 C ATOM 2429 NZ LYS B 64 153.991 14.627 -9.911 1.00 2.10 N ATOM 0 H LYS B 64 152.466 11.140 -6.390 1.00 0.35 H new ATOM 0 HA LYS B 64 154.480 12.783 -5.209 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.686 11.688 -7.435 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.412 12.711 -8.068 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.747 14.740 -7.661 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.968 13.823 -6.801 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.743 14.242 -9.102 1.00 0.68 H new ATOM 0 HD3 LYS B 64 156.463 12.524 -8.894 1.00 0.68 H new ATOM 0 HE2 LYS B 64 155.498 13.644 -11.046 1.00 1.24 H new ATOM 0 HE3 LYS B 64 154.442 12.563 -10.159 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 153.521 14.835 -10.815 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 153.279 14.346 -9.207 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 154.491 15.476 -9.577 1.00 2.10 H new ATOM 2443 N ASP B 65 151.826 14.336 -6.403 1.00 0.41 N ATOM 2444 CA ASP B 65 151.089 15.627 -6.361 1.00 0.44 C ATOM 2445 C ASP B 65 150.635 15.913 -4.931 1.00 0.43 C ATOM 2446 O ASP B 65 150.508 17.050 -4.524 1.00 0.45 O ATOM 2447 CB ASP B 65 149.868 15.539 -7.282 1.00 0.48 C ATOM 2448 CG ASP B 65 149.190 16.907 -7.379 1.00 1.17 C ATOM 2449 OD1 ASP B 65 149.163 17.607 -6.380 1.00 1.90 O ATOM 2450 OD2 ASP B 65 148.713 17.234 -8.453 1.00 1.41 O ATOM 0 H ASP B 65 151.354 13.588 -6.912 1.00 0.41 H new ATOM 0 HA ASP B 65 151.742 16.433 -6.696 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.173 15.203 -8.273 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.164 14.801 -6.898 1.00 0.48 H new ATOM 2455 N THR B 66 150.359 14.889 -4.172 1.00 0.39 N ATOM 2456 CA THR B 66 149.876 15.101 -2.780 1.00 0.39 C ATOM 2457 C THR B 66 151.025 15.448 -1.829 1.00 0.38 C ATOM 2458 O THR B 66 150.833 16.220 -0.910 1.00 0.40 O ATOM 2459 CB THR B 66 149.172 13.836 -2.280 1.00 0.37 C ATOM 2460 OG1 THR B 66 148.044 13.569 -3.101 1.00 0.37 O ATOM 2461 CG2 THR B 66 148.713 14.047 -0.837 1.00 0.38 C ATOM 0 H THR B 66 150.447 13.913 -4.457 1.00 0.39 H new ATOM 0 HA THR B 66 149.180 15.940 -2.794 1.00 0.39 H new ATOM 0 HB THR B 66 149.862 12.993 -2.323 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.344 13.357 -4.010 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.212 13.148 -0.479 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.578 14.255 -0.207 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.022 14.889 -0.794 1.00 0.38 H new ATOM 2469 N CYS B 67 152.203 14.875 -1.987 1.00 0.36 N ATOM 2470 CA CYS B 67 153.322 15.175 -1.027 1.00 0.37 C ATOM 2471 C CYS B 67 154.621 15.544 -1.749 1.00 0.37 C ATOM 2472 O CYS B 67 155.450 16.250 -1.212 1.00 0.39 O ATOM 2473 CB CYS B 67 153.578 13.937 -0.169 1.00 0.36 C ATOM 2474 SG CYS B 67 153.875 12.512 -1.242 1.00 0.36 S ATOM 0 H CYS B 67 152.435 14.219 -2.732 1.00 0.36 H new ATOM 0 HA CYS B 67 153.020 16.028 -0.419 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.438 14.103 0.480 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.722 13.746 0.478 1.00 0.36 H new ATOM 0 HG CYS B 67 152.911 12.413 -2.109 1.00 0.36 H new ATOM 2480 N GLY B 68 154.815 15.063 -2.952 1.00 0.35 N ATOM 2481 CA GLY B 68 156.075 15.375 -3.704 1.00 0.36 C ATOM 2482 C GLY B 68 156.966 14.130 -3.739 1.00 0.34 C ATOM 2483 O GLY B 68 158.132 14.204 -4.074 1.00 0.33 O ATOM 0 H GLY B 68 154.154 14.466 -3.449 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.837 15.694 -4.719 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.603 16.200 -3.226 1.00 0.36 H new ATOM 2487 N ALA B 69 156.434 12.982 -3.404 1.00 0.32 N ATOM 2488 CA ALA B 69 157.264 11.742 -3.430 1.00 0.31 C ATOM 2489 C ALA B 69 157.966 11.635 -4.786 1.00 0.31 C ATOM 2490 O ALA B 69 157.502 12.165 -5.776 1.00 0.32 O ATOM 2491 CB ALA B 69 156.364 10.521 -3.224 1.00 0.31 C ATOM 0 H ALA B 69 155.465 12.851 -3.115 1.00 0.32 H new ATOM 0 HA ALA B 69 158.008 11.782 -2.634 1.00 0.31 H new ATOM 0 HB1 ALA B 69 156.970 9.615 -3.243 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.859 10.600 -2.261 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.622 10.478 -4.021 1.00 0.31 H new ATOM 2497 N ASN B 70 159.093 10.974 -4.838 1.00 0.29 N ATOM 2498 CA ASN B 70 159.835 10.858 -6.130 1.00 0.29 C ATOM 2499 C ASN B 70 159.394 9.599 -6.878 1.00 0.29 C ATOM 2500 O ASN B 70 158.641 8.789 -6.374 1.00 0.29 O ATOM 2501 CB ASN B 70 161.334 10.754 -5.840 1.00 0.29 C ATOM 2502 CG ASN B 70 161.832 12.061 -5.223 1.00 1.07 C ATOM 2503 OD1 ASN B 70 161.300 13.119 -5.497 1.00 1.91 O ATOM 2504 ND2 ASN B 70 162.839 12.033 -4.394 1.00 1.78 N ATOM 0 H ASN B 70 159.532 10.510 -4.043 1.00 0.29 H new ATOM 0 HA ASN B 70 159.625 11.736 -6.740 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.526 9.924 -5.160 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.879 10.545 -6.761 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.180 12.899 -3.976 1.00 1.78 H new ATOM 0 HD22 ASN B 70 163.286 11.145 -4.164 1.00 1.78 H new ATOM 2511 N ALA B 71 159.862 9.438 -8.085 1.00 0.31 N ATOM 2512 CA ALA B 71 159.485 8.243 -8.889 1.00 0.33 C ATOM 2513 C ALA B 71 159.925 6.965 -8.172 1.00 0.31 C ATOM 2514 O ALA B 71 159.261 5.953 -8.238 1.00 0.31 O ATOM 2515 CB ALA B 71 160.167 8.313 -10.256 1.00 0.38 C ATOM 0 H ALA B 71 160.494 10.088 -8.552 1.00 0.31 H new ATOM 0 HA ALA B 71 158.402 8.229 -9.015 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.891 7.438 -10.845 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.848 9.216 -10.776 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.249 8.334 -10.122 1.00 0.38 H new ATOM 2521 N LYS B 72 161.038 6.991 -7.492 1.00 0.29 N ATOM 2522 CA LYS B 72 161.491 5.755 -6.795 1.00 0.28 C ATOM 2523 C LYS B 72 160.598 5.477 -5.584 1.00 0.26 C ATOM 2524 O LYS B 72 160.260 4.346 -5.299 1.00 0.26 O ATOM 2525 CB LYS B 72 162.954 5.915 -6.355 1.00 0.28 C ATOM 2526 CG LYS B 72 163.398 4.725 -5.485 1.00 1.18 C ATOM 2527 CD LYS B 72 163.174 3.403 -6.232 1.00 1.28 C ATOM 2528 CE LYS B 72 163.952 2.279 -5.540 1.00 2.10 C ATOM 2529 NZ LYS B 72 165.389 2.357 -5.925 1.00 2.57 N ATOM 0 H LYS B 72 161.646 7.803 -7.389 1.00 0.29 H new ATOM 0 HA LYS B 72 161.418 4.910 -7.480 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.596 5.989 -7.233 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.071 6.843 -5.796 1.00 0.28 H new ATOM 0 HG2 LYS B 72 164.451 4.829 -5.225 1.00 1.18 H new ATOM 0 HG3 LYS B 72 162.838 4.721 -4.550 1.00 1.18 H new ATOM 0 HD2 LYS B 72 162.111 3.162 -6.254 1.00 1.28 H new ATOM 0 HD3 LYS B 72 163.500 3.500 -7.268 1.00 1.28 H new ATOM 0 HE2 LYS B 72 163.850 2.364 -4.458 1.00 2.10 H new ATOM 0 HE3 LYS B 72 163.541 1.310 -5.824 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 165.872 1.481 -5.641 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 165.466 2.477 -6.955 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 165.833 3.168 -5.448 1.00 2.57 H new ATOM 2543 N GLN B 73 160.228 6.497 -4.857 1.00 0.25 N ATOM 2544 CA GLN B 73 159.376 6.285 -3.654 1.00 0.24 C ATOM 2545 C GLN B 73 157.980 5.826 -4.058 1.00 0.25 C ATOM 2546 O GLN B 73 157.389 4.978 -3.420 1.00 0.25 O ATOM 2547 CB GLN B 73 159.265 7.588 -2.862 1.00 0.26 C ATOM 2548 CG GLN B 73 160.609 7.914 -2.209 1.00 0.28 C ATOM 2549 CD GLN B 73 160.560 9.325 -1.622 1.00 1.25 C ATOM 2550 OE1 GLN B 73 159.768 10.144 -2.044 1.00 2.12 O ATOM 2551 NE2 GLN B 73 161.376 9.647 -0.655 1.00 1.89 N ATOM 0 H GLN B 73 160.480 7.467 -5.045 1.00 0.25 H new ATOM 0 HA GLN B 73 159.839 5.514 -3.037 1.00 0.24 H new ATOM 0 HB2 GLN B 73 158.965 8.401 -3.523 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.492 7.496 -2.099 1.00 0.26 H new ATOM 0 HG2 GLN B 73 160.830 7.190 -1.425 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.410 7.842 -2.945 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.042 8.961 -0.299 1.00 1.89 H new ATOM 0 HE22 GLN B 73 161.348 10.585 -0.255 1.00 1.89 H new ATOM 2560 N SER B 74 157.436 6.384 -5.104 1.00 0.26 N ATOM 2561 CA SER B 74 156.073 5.984 -5.530 1.00 0.27 C ATOM 2562 C SER B 74 156.091 4.547 -6.051 1.00 0.26 C ATOM 2563 O SER B 74 155.177 3.783 -5.810 1.00 0.26 O ATOM 2564 CB SER B 74 155.586 6.928 -6.628 1.00 0.30 C ATOM 2565 OG SER B 74 154.172 6.830 -6.731 1.00 1.36 O ATOM 0 H SER B 74 157.879 7.100 -5.680 1.00 0.26 H new ATOM 0 HA SER B 74 155.397 6.042 -4.677 1.00 0.27 H new ATOM 0 HB2 SER B 74 155.876 7.953 -6.399 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.051 6.670 -7.579 1.00 0.30 H new ATOM 0 HG SER B 74 153.759 7.622 -6.328 1.00 1.36 H new ATOM 2571 N ARG B 75 157.122 4.160 -6.759 1.00 0.27 N ATOM 2572 CA ARG B 75 157.181 2.769 -7.277 1.00 0.27 C ATOM 2573 C ARG B 75 157.142 1.798 -6.100 1.00 0.26 C ATOM 2574 O ARG B 75 156.532 0.752 -6.177 1.00 0.26 O ATOM 2575 CB ARG B 75 158.466 2.575 -8.085 1.00 0.29 C ATOM 2576 CG ARG B 75 158.324 3.276 -9.440 1.00 0.32 C ATOM 2577 CD ARG B 75 159.666 3.252 -10.171 1.00 0.61 C ATOM 2578 NE ARG B 75 159.574 4.056 -11.436 1.00 1.35 N ATOM 2579 CZ ARG B 75 158.710 3.768 -12.375 1.00 1.82 C ATOM 2580 NH1 ARG B 75 158.012 2.667 -12.320 1.00 1.89 N ATOM 2581 NH2 ARG B 75 158.581 4.562 -13.401 1.00 2.81 N ATOM 0 H ARG B 75 157.920 4.748 -6.998 1.00 0.27 H new ATOM 0 HA ARG B 75 156.328 2.578 -7.929 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.317 2.983 -7.539 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.660 1.512 -8.231 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.562 2.779 -10.040 1.00 0.32 H new ATOM 0 HG3 ARG B 75 157.995 4.305 -9.296 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.447 3.658 -9.528 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.945 2.224 -10.403 1.00 0.61 H new ATOM 0 HE ARG B 75 160.203 4.849 -11.567 1.00 1.35 H new ATOM 0 HH11 ARG B 75 158.138 2.022 -11.540 1.00 1.89 H new ATOM 0 HH12 ARG B 75 157.341 2.451 -13.057 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.153 5.404 -13.469 1.00 2.81 H new ATOM 0 HH22 ARG B 75 157.909 4.341 -14.135 1.00 2.81 H new ATOM 2595 N ASP B 76 157.797 2.113 -5.016 1.00 0.24 N ATOM 2596 CA ASP B 76 157.810 1.194 -3.849 1.00 0.24 C ATOM 2597 C ASP B 76 156.418 1.113 -3.222 1.00 0.22 C ATOM 2598 O ASP B 76 155.975 0.053 -2.826 1.00 0.22 O ATOM 2599 CB ASP B 76 158.805 1.716 -2.809 1.00 0.23 C ATOM 2600 CG ASP B 76 160.231 1.549 -3.336 1.00 0.25 C ATOM 2601 OD1 ASP B 76 160.509 0.513 -3.919 1.00 0.40 O ATOM 2602 OD2 ASP B 76 161.020 2.461 -3.153 1.00 0.39 O ATOM 0 H ASP B 76 158.327 2.975 -4.891 1.00 0.24 H new ATOM 0 HA ASP B 76 158.106 0.199 -4.182 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.606 2.766 -2.595 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.686 1.172 -1.872 1.00 0.23 H new ATOM 2607 N CYS B 77 155.715 2.207 -3.128 1.00 0.22 N ATOM 2608 CA CYS B 77 154.355 2.153 -2.529 1.00 0.21 C ATOM 2609 C CYS B 77 153.420 1.376 -3.455 1.00 0.22 C ATOM 2610 O CYS B 77 152.587 0.613 -3.010 1.00 0.21 O ATOM 2611 CB CYS B 77 153.819 3.575 -2.353 1.00 0.22 C ATOM 2612 SG CYS B 77 154.745 4.412 -1.044 1.00 0.23 S ATOM 0 H CYS B 77 156.021 3.129 -3.438 1.00 0.22 H new ATOM 0 HA CYS B 77 154.407 1.657 -1.560 1.00 0.21 H new ATOM 0 HB2 CYS B 77 153.910 4.128 -3.288 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.759 3.547 -2.102 1.00 0.22 H new ATOM 0 HG CYS B 77 155.362 3.529 -0.316 1.00 0.23 H new ATOM 2618 N PHE B 78 153.532 1.570 -4.740 1.00 0.23 N ATOM 2619 CA PHE B 78 152.625 0.841 -5.665 1.00 0.25 C ATOM 2620 C PHE B 78 152.812 -0.666 -5.496 1.00 0.24 C ATOM 2621 O PHE B 78 151.888 -1.381 -5.163 1.00 0.23 O ATOM 2622 CB PHE B 78 152.945 1.249 -7.106 1.00 0.28 C ATOM 2623 CG PHE B 78 152.050 0.494 -8.057 1.00 0.32 C ATOM 2624 CD1 PHE B 78 150.783 0.997 -8.374 1.00 0.36 C ATOM 2625 CD2 PHE B 78 152.491 -0.705 -8.629 1.00 0.38 C ATOM 2626 CE1 PHE B 78 149.956 0.300 -9.263 1.00 0.40 C ATOM 2627 CE2 PHE B 78 151.663 -1.403 -9.517 1.00 0.43 C ATOM 2628 CZ PHE B 78 150.396 -0.901 -9.834 1.00 0.42 C ATOM 0 H PHE B 78 154.205 2.195 -5.184 1.00 0.23 H new ATOM 0 HA PHE B 78 151.590 1.093 -5.436 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.802 2.322 -7.231 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.991 1.039 -7.330 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.443 1.923 -7.933 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.470 -1.092 -8.386 1.00 0.38 H new ATOM 0 HE1 PHE B 78 148.979 0.688 -9.509 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.002 -2.329 -9.957 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.757 -1.439 -10.519 1.00 0.42 H new ATOM 2638 N GLY B 79 153.996 -1.157 -5.731 1.00 0.25 N ATOM 2639 CA GLY B 79 154.246 -2.620 -5.596 1.00 0.25 C ATOM 2640 C GLY B 79 154.021 -3.076 -4.149 1.00 0.23 C ATOM 2641 O GLY B 79 153.569 -4.174 -3.900 1.00 0.24 O ATOM 0 H GLY B 79 154.806 -0.605 -6.012 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.583 -3.171 -6.264 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.267 -2.849 -5.900 1.00 0.25 H new ATOM 2645 N CYS B 80 154.333 -2.247 -3.193 1.00 0.22 N ATOM 2646 CA CYS B 80 154.136 -2.655 -1.771 1.00 0.21 C ATOM 2647 C CYS B 80 152.643 -2.727 -1.449 1.00 0.21 C ATOM 2648 O CYS B 80 152.166 -3.694 -0.889 1.00 0.22 O ATOM 2649 CB CYS B 80 154.804 -1.635 -0.854 1.00 0.22 C ATOM 2650 SG CYS B 80 154.640 -2.174 0.867 1.00 0.24 S ATOM 0 H CYS B 80 154.713 -1.311 -3.331 1.00 0.22 H new ATOM 0 HA CYS B 80 154.582 -3.637 -1.616 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.857 -1.530 -1.115 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.344 -0.656 -0.985 1.00 0.22 H new ATOM 0 HG CYS B 80 154.183 -1.193 1.587 1.00 0.24 H new ATOM 2656 N LEU B 81 151.897 -1.725 -1.815 1.00 0.21 N ATOM 2657 CA LEU B 81 150.436 -1.773 -1.541 1.00 0.21 C ATOM 2658 C LEU B 81 149.811 -2.833 -2.450 1.00 0.21 C ATOM 2659 O LEU B 81 148.944 -3.582 -2.044 1.00 0.22 O ATOM 2660 CB LEU B 81 149.816 -0.401 -1.831 1.00 0.22 C ATOM 2661 CG LEU B 81 150.460 0.666 -0.928 1.00 0.24 C ATOM 2662 CD1 LEU B 81 150.134 2.060 -1.469 1.00 0.29 C ATOM 2663 CD2 LEU B 81 149.921 0.553 0.506 1.00 0.28 C ATOM 0 H LEU B 81 152.230 -0.884 -2.287 1.00 0.21 H new ATOM 0 HA LEU B 81 150.253 -2.026 -0.497 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.963 -0.140 -2.879 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.740 -0.435 -1.659 1.00 0.22 H new ATOM 0 HG LEU B 81 151.538 0.508 -0.921 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.591 2.815 -0.829 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.526 2.158 -2.482 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.053 2.201 -1.483 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.387 1.315 1.131 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.841 0.698 0.501 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.152 -0.435 0.905 1.00 0.28 H new ATOM 2675 N ARG B 82 150.250 -2.905 -3.679 1.00 0.22 N ATOM 2676 CA ARG B 82 149.687 -3.921 -4.615 1.00 0.24 C ATOM 2677 C ARG B 82 149.973 -5.329 -4.086 1.00 0.25 C ATOM 2678 O ARG B 82 149.141 -6.211 -4.168 1.00 0.26 O ATOM 2679 CB ARG B 82 150.329 -3.762 -5.996 1.00 0.28 C ATOM 2680 CG ARG B 82 149.711 -4.770 -6.974 1.00 0.32 C ATOM 2681 CD ARG B 82 150.354 -4.606 -8.351 1.00 0.85 C ATOM 2682 NE ARG B 82 149.680 -5.518 -9.319 1.00 1.42 N ATOM 2683 CZ ARG B 82 149.894 -5.382 -10.599 1.00 1.96 C ATOM 2684 NH1 ARG B 82 150.726 -4.472 -11.026 1.00 2.26 N ATOM 2685 NH2 ARG B 82 149.283 -6.158 -11.450 1.00 2.74 N ATOM 0 H ARG B 82 150.973 -2.305 -4.074 1.00 0.22 H new ATOM 0 HA ARG B 82 148.610 -3.773 -4.693 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.179 -2.746 -6.362 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.405 -3.920 -5.928 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.862 -5.786 -6.609 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.635 -4.613 -7.043 1.00 0.32 H new ATOM 0 HD2 ARG B 82 150.266 -3.572 -8.686 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.418 -4.835 -8.298 1.00 0.85 H new ATOM 0 HE ARG B 82 149.052 -6.247 -8.981 1.00 1.42 H new ATOM 0 HH11 ARG B 82 151.208 -3.869 -10.360 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.895 -4.364 -12.026 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.637 -6.873 -11.116 1.00 2.74 H new ATOM 0 HH22 ARG B 82 149.451 -6.050 -12.450 1.00 2.74 H new ATOM 2699 N GLU B 83 151.148 -5.556 -3.563 1.00 0.25 N ATOM 2700 CA GLU B 83 151.491 -6.915 -3.052 1.00 0.27 C ATOM 2701 C GLU B 83 150.680 -7.243 -1.799 1.00 0.27 C ATOM 2702 O GLU B 83 150.212 -8.354 -1.643 1.00 0.28 O ATOM 2703 CB GLU B 83 152.990 -6.981 -2.729 1.00 0.29 C ATOM 2704 CG GLU B 83 153.795 -7.085 -4.029 1.00 0.33 C ATOM 2705 CD GLU B 83 153.614 -8.480 -4.631 1.00 1.20 C ATOM 2706 OE1 GLU B 83 153.133 -9.350 -3.926 1.00 1.91 O ATOM 2707 OE2 GLU B 83 153.963 -8.654 -5.788 1.00 1.57 O ATOM 0 H GLU B 83 151.886 -4.858 -3.467 1.00 0.25 H new ATOM 0 HA GLU B 83 151.249 -7.647 -3.823 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.291 -6.093 -2.173 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.197 -7.841 -2.092 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.462 -6.326 -4.737 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.850 -6.896 -3.832 1.00 0.33 H new ATOM 2714 N TRP B 84 150.478 -6.307 -0.907 1.00 0.25 N ATOM 2715 CA TRP B 84 149.667 -6.622 0.300 1.00 0.25 C ATOM 2716 C TRP B 84 148.278 -7.047 -0.174 1.00 0.26 C ATOM 2717 O TRP B 84 147.708 -8.008 0.303 1.00 0.28 O ATOM 2718 CB TRP B 84 149.548 -5.387 1.196 1.00 0.25 C ATOM 2719 CG TRP B 84 148.814 -5.762 2.444 1.00 0.27 C ATOM 2720 CD1 TRP B 84 149.401 -6.169 3.592 1.00 0.30 C ATOM 2721 CD2 TRP B 84 147.376 -5.789 2.687 1.00 0.29 C ATOM 2722 NE1 TRP B 84 148.419 -6.441 4.526 1.00 0.32 N ATOM 2723 CE2 TRP B 84 147.154 -6.223 4.017 1.00 0.32 C ATOM 2724 CE3 TRP B 84 146.256 -5.482 1.894 1.00 0.31 C ATOM 2725 CZ2 TRP B 84 145.868 -6.351 4.540 1.00 0.35 C ATOM 2726 CZ3 TRP B 84 144.957 -5.608 2.418 1.00 0.35 C ATOM 2727 CH2 TRP B 84 144.764 -6.042 3.737 1.00 0.36 C ATOM 0 H TRP B 84 150.835 -5.353 -0.963 1.00 0.25 H new ATOM 0 HA TRP B 84 150.141 -7.417 0.875 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.538 -5.003 1.442 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.019 -4.591 0.672 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.465 -6.266 3.753 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.606 -6.763 5.475 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.394 -5.147 0.876 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.725 -6.686 5.557 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.103 -5.369 1.801 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.764 -6.138 4.133 1.00 0.36 H new ATOM 2738 N CYS B 85 147.735 -6.326 -1.118 1.00 0.27 N ATOM 2739 CA CYS B 85 146.384 -6.668 -1.643 1.00 0.30 C ATOM 2740 C CYS B 85 146.406 -8.073 -2.251 1.00 0.33 C ATOM 2741 O CYS B 85 145.486 -8.847 -2.094 1.00 0.36 O ATOM 2742 CB CYS B 85 146.006 -5.648 -2.724 1.00 0.33 C ATOM 2743 SG CYS B 85 145.493 -4.100 -1.940 1.00 0.33 S ATOM 0 H CYS B 85 148.172 -5.511 -1.549 1.00 0.27 H new ATOM 0 HA CYS B 85 145.655 -6.643 -0.833 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.855 -5.470 -3.384 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.198 -6.040 -3.342 1.00 0.33 H new ATOM 0 HG CYS B 85 145.175 -3.234 -2.856 1.00 0.33 H new ATOM 2749 N ASP B 86 147.453 -8.410 -2.942 1.00 0.34 N ATOM 2750 CA ASP B 86 147.538 -9.761 -3.561 1.00 0.40 C ATOM 2751 C ASP B 86 147.461 -10.844 -2.480 1.00 0.41 C ATOM 2752 O ASP B 86 146.929 -11.915 -2.699 1.00 0.43 O ATOM 2753 CB ASP B 86 148.857 -9.887 -4.327 1.00 0.42 C ATOM 2754 CG ASP B 86 148.810 -8.993 -5.569 1.00 0.43 C ATOM 2755 OD1 ASP B 86 147.783 -8.980 -6.227 1.00 0.55 O ATOM 2756 OD2 ASP B 86 149.800 -8.333 -5.838 1.00 0.52 O ATOM 0 H ASP B 86 148.259 -7.807 -3.107 1.00 0.34 H new ATOM 0 HA ASP B 86 146.702 -9.892 -4.249 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.691 -9.597 -3.688 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.024 -10.924 -4.618 1.00 0.42 H new ATOM 2761 N ALA B 87 148.007 -10.586 -1.319 1.00 0.40 N ATOM 2762 CA ALA B 87 147.984 -11.616 -0.233 1.00 0.43 C ATOM 2763 C ALA B 87 146.749 -11.449 0.663 1.00 0.43 C ATOM 2764 O ALA B 87 146.206 -12.416 1.160 1.00 0.47 O ATOM 2765 CB ALA B 87 149.246 -11.472 0.620 1.00 0.40 C ATOM 0 H ALA B 87 148.467 -9.709 -1.075 1.00 0.40 H new ATOM 0 HA ALA B 87 147.945 -12.603 -0.694 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.236 -12.219 1.413 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.127 -11.618 -0.005 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.276 -10.475 1.061 1.00 0.40 H new ATOM 2771 N PHE B 88 146.316 -10.233 0.898 1.00 0.39 N ATOM 2772 CA PHE B 88 145.131 -9.999 1.795 1.00 0.44 C ATOM 2773 C PHE B 88 143.904 -9.552 0.995 1.00 0.54 C ATOM 2774 O PHE B 88 142.874 -9.245 1.562 1.00 1.24 O ATOM 2775 CB PHE B 88 145.462 -8.896 2.803 1.00 0.41 C ATOM 2776 CG PHE B 88 146.491 -9.379 3.795 1.00 0.38 C ATOM 2777 CD1 PHE B 88 146.080 -10.021 4.969 1.00 0.43 C ATOM 2778 CD2 PHE B 88 147.852 -9.170 3.549 1.00 0.35 C ATOM 2779 CE1 PHE B 88 147.032 -10.456 5.897 1.00 0.46 C ATOM 2780 CE2 PHE B 88 148.804 -9.603 4.479 1.00 0.39 C ATOM 2781 CZ PHE B 88 148.393 -10.246 5.653 1.00 0.44 C ATOM 0 H PHE B 88 146.732 -9.387 0.507 1.00 0.39 H new ATOM 0 HA PHE B 88 144.909 -10.939 2.300 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.838 -8.017 2.279 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.557 -8.591 3.328 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.029 -10.180 5.158 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.168 -8.675 2.643 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.716 -10.954 6.802 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.855 -9.441 4.291 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.128 -10.580 6.371 1.00 0.44 H new ATOM 2791 N LEU B 89 143.998 -9.482 -0.306 1.00 0.39 N ATOM 2792 CA LEU B 89 142.828 -9.018 -1.115 1.00 0.36 C ATOM 2793 C LEU B 89 142.791 -9.778 -2.445 1.00 0.87 C ATOM 2794 O LEU B 89 142.912 -10.993 -2.413 1.00 1.43 O ATOM 2795 CB LEU B 89 142.993 -7.515 -1.384 1.00 0.74 C ATOM 2796 CG LEU B 89 141.646 -6.880 -1.785 1.00 0.47 C ATOM 2797 CD1 LEU B 89 140.824 -6.531 -0.533 1.00 1.00 C ATOM 2798 CD2 LEU B 89 141.906 -5.596 -2.591 1.00 1.27 C ATOM 2799 OXT LEU B 89 142.640 -9.135 -3.470 1.00 1.67 O ATOM 0 H LEU B 89 144.830 -9.725 -0.844 1.00 0.39 H new ATOM 0 HA LEU B 89 141.899 -9.203 -0.576 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.382 -7.022 -0.493 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.724 -7.361 -2.178 1.00 0.74 H new ATOM 0 HG LEU B 89 141.088 -7.595 -2.390 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.876 -6.084 -0.833 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.632 -7.438 0.041 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.380 -5.824 0.082 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.955 -5.146 -2.875 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.473 -4.892 -1.981 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.475 -5.839 -3.488 1.00 1.27 H new