USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 42 SER OG : rot 160:sc= 0.744 USER MOD Set 1.2: B 46 LYS NZ :NH3+ -175:sc= 0.849 (180deg=0) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -171:sc= 2.46 (180deg=0.159!) USER MOD Set 2.2: B 71 TYR OH : rot -15:sc= 1.07 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 73:sc= 0.865 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.22) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.66) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 72:sc= 0.587 USER MOD Single : A 39 ASN : amide:sc= 1.05 K(o=1,f=-0.38) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.05 K(o=-1,f=-2.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= 1.24 (180deg=-0.146) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 28:sc= 0.799 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -138:sc= 1.3 (180deg=1.05) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 68:sc= 1.24 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.13) USER MOD Single : A 84 THR OG1 : rot 68:sc= 1.34 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ -134:sc= 0.983 (180deg=-0.959) USER MOD Single : B 15 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.11) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 86:sc= 0.502 USER MOD Single : B 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0446) USER MOD Single : B 26 LYS NZ :NH3+ 157:sc= 1.21 (180deg=1.14) USER MOD Single : B 35 LYS NZ :NH3+ 165:sc=-0.00974 (180deg=-0.222) USER MOD Single : B 37 SER OG : rot 78:sc= 1.18 USER MOD Single : B 39 ASN : amide:sc= 1.21 K(o=1.2,f=-0.61) USER MOD Single : B 44 LYS NZ :NH3+ -172:sc= 1.63 (180deg=1.55) USER MOD Single : B 47 THR OG1 : rot 85:sc= 0.0102 USER MOD Single : B 50 GLN : amide:sc= -0.826! K(o=-0.83!,f=-0.23) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= 1.12 K(o=1.1,f=-0.17) USER MOD Single : B 57 LYS NZ :NH3+ -125:sc= 0.0075 (180deg=-0.737) USER MOD Single : B 62 TYR OH : rot 180:sc= 0.17 USER MOD Single : B 63 THR OG1 : rot 73:sc= 1.17 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ -124:sc= 0.498 (180deg=0.28) USER MOD Single : B 73 SER OG : rot 72:sc= 0.56 USER MOD Single : B 76 SER OG : rot 180:sc= 0.0262 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 133:sc= 1.21 (180deg=0.143) USER MOD Single : B 84 THR OG1 : rot 61:sc= 0.343 USER MOD Single : B 86 SER OG : rot 74:sc= 0.435 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -20.497 14.923 -10.212 1.00 1.91 N ATOM 78 CA GLN A 6 -20.059 13.540 -10.232 1.00 1.87 C ATOM 79 C GLN A 6 -18.816 13.364 -11.100 1.00 1.83 C ATOM 80 O GLN A 6 -17.893 12.646 -10.725 1.00 1.77 O ATOM 81 CB GLN A 6 -21.187 12.649 -10.755 1.00 1.89 C ATOM 82 CG GLN A 6 -20.811 11.182 -10.900 1.00 1.95 C ATOM 83 CD GLN A 6 -21.622 10.486 -11.971 1.00 1.96 C ATOM 84 OE1 GLN A 6 -21.222 10.435 -13.131 1.00 2.22 O ATOM 85 NE2 GLN A 6 -22.770 9.949 -11.590 1.00 2.13 N ATOM 0 HA GLN A 6 -19.803 13.250 -9.213 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -22.039 12.728 -10.080 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -21.512 13.026 -11.725 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -19.751 11.103 -11.141 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -20.960 10.675 -9.947 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -23.065 10.014 -10.616 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -23.360 9.470 -12.271 1.00 2.13 H new ATOM 94 N THR A 7 -18.797 14.020 -12.254 1.00 1.86 N ATOM 95 CA THR A 7 -17.671 13.916 -13.175 1.00 1.83 C ATOM 96 C THR A 7 -16.398 14.529 -12.593 1.00 1.79 C ATOM 97 O THR A 7 -15.328 13.917 -12.634 1.00 1.71 O ATOM 98 CB THR A 7 -18.004 14.580 -14.522 1.00 1.88 C ATOM 99 OG1 THR A 7 -18.788 15.756 -14.302 1.00 2.15 O ATOM 100 CG2 THR A 7 -18.773 13.625 -15.417 1.00 1.95 C ATOM 0 H THR A 7 -19.549 14.630 -12.575 1.00 1.86 H new ATOM 0 HA THR A 7 -17.488 12.854 -13.336 1.00 1.83 H new ATOM 0 HB THR A 7 -17.068 14.846 -15.013 1.00 1.88 H new ATOM 0 HG1 THR A 7 -18.996 16.176 -15.163 1.00 2.15 H new ATOM 0 HG21 THR A 7 -18.998 14.115 -16.364 1.00 1.95 H new ATOM 0 HG22 THR A 7 -18.171 12.736 -15.603 1.00 1.95 H new ATOM 0 HG23 THR A 7 -19.703 13.337 -14.928 1.00 1.95 H new ATOM 108 N ARG A 8 -16.528 15.729 -12.036 1.00 1.84 N ATOM 109 CA ARG A 8 -15.394 16.436 -11.453 1.00 1.82 C ATOM 110 C ARG A 8 -14.840 15.687 -10.243 1.00 1.75 C ATOM 111 O ARG A 8 -13.624 15.566 -10.082 1.00 1.69 O ATOM 112 CB ARG A 8 -15.809 17.861 -11.058 1.00 1.94 C ATOM 113 CG ARG A 8 -14.672 18.708 -10.498 1.00 2.03 C ATOM 114 CD ARG A 8 -13.442 18.693 -11.400 1.00 2.06 C ATOM 115 NE ARG A 8 -13.776 18.871 -12.811 1.00 2.06 N ATOM 116 CZ ARG A 8 -13.206 18.182 -13.800 1.00 2.08 C ATOM 117 NH1 ARG A 8 -12.253 17.295 -13.526 1.00 2.10 N ATOM 118 NH2 ARG A 8 -13.590 18.383 -15.054 1.00 2.22 N ATOM 0 H ARG A 8 -17.412 16.234 -11.976 1.00 1.84 H new ATOM 0 HA ARG A 8 -14.604 16.491 -12.202 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -16.225 18.362 -11.932 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -16.605 17.803 -10.315 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -15.015 19.735 -10.372 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -14.400 18.339 -9.509 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -12.759 19.484 -11.090 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -12.914 17.748 -11.272 1.00 2.06 H new ATOM 0 HE ARG A 8 -14.486 19.562 -13.053 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -11.960 17.143 -12.561 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -11.816 16.767 -14.281 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -14.321 19.064 -15.261 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -13.155 17.856 -15.811 1.00 2.22 H new ATOM 132 N ASN A 9 -15.733 15.186 -9.399 1.00 1.76 N ATOM 133 CA ASN A 9 -15.340 14.449 -8.200 1.00 1.72 C ATOM 134 C ASN A 9 -14.665 13.128 -8.564 1.00 1.61 C ATOM 135 O ASN A 9 -13.627 12.764 -8.002 1.00 1.56 O ATOM 136 CB ASN A 9 -16.578 14.176 -7.336 1.00 1.78 C ATOM 137 CG ASN A 9 -16.268 13.361 -6.095 1.00 1.75 C ATOM 138 OD1 ASN A 9 -16.235 12.132 -6.139 1.00 1.75 O ATOM 139 ND2 ASN A 9 -16.062 14.039 -4.975 1.00 1.84 N ATOM 0 H ASN A 9 -16.741 15.276 -9.522 1.00 1.76 H new ATOM 0 HA ASN A 9 -14.626 15.055 -7.642 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -17.023 15.126 -7.038 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -17.322 13.649 -7.933 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -15.867 13.541 -4.106 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -16.098 15.058 -4.982 1.00 1.84 H new ATOM 146 N LYS A 10 -15.256 12.435 -9.524 1.00 1.60 N ATOM 147 CA LYS A 10 -14.764 11.145 -9.974 1.00 1.52 C ATOM 148 C LYS A 10 -13.345 11.234 -10.527 1.00 1.47 C ATOM 149 O LYS A 10 -12.477 10.450 -10.141 1.00 1.41 O ATOM 150 CB LYS A 10 -15.709 10.584 -11.038 1.00 1.53 C ATOM 151 CG LYS A 10 -15.527 9.103 -11.322 1.00 1.59 C ATOM 152 CD LYS A 10 -16.048 8.229 -10.186 1.00 1.70 C ATOM 153 CE LYS A 10 -14.984 7.960 -9.127 1.00 2.07 C ATOM 154 NZ LYS A 10 -13.609 7.929 -9.698 1.00 2.48 N ATOM 0 H LYS A 10 -16.092 12.753 -10.014 1.00 1.60 H new ATOM 0 HA LYS A 10 -14.734 10.477 -9.113 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -16.737 10.757 -10.720 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -15.564 11.140 -11.965 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -16.048 8.845 -12.244 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -14.470 8.893 -11.484 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -16.906 8.715 -9.721 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -16.401 7.281 -10.592 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -15.038 8.731 -8.358 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -15.193 7.008 -8.639 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -12.940 7.594 -8.975 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -13.587 7.285 -10.515 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -13.338 8.886 -10.004 1.00 2.48 H new ATOM 168 N GLU A 11 -13.113 12.195 -11.411 1.00 1.52 N ATOM 169 CA GLU A 11 -11.799 12.382 -12.023 1.00 1.50 C ATOM 170 C GLU A 11 -10.759 12.810 -10.988 1.00 1.45 C ATOM 171 O GLU A 11 -9.625 12.329 -10.996 1.00 1.38 O ATOM 172 CB GLU A 11 -11.892 13.431 -13.134 1.00 1.58 C ATOM 173 CG GLU A 11 -10.660 13.507 -14.024 1.00 1.63 C ATOM 174 CD GLU A 11 -10.216 14.935 -14.281 1.00 1.77 C ATOM 175 OE1 GLU A 11 -10.883 15.644 -15.063 1.00 1.96 O ATOM 176 OE2 GLU A 11 -9.202 15.362 -13.698 1.00 1.90 O ATOM 0 H GLU A 11 -13.819 12.861 -11.723 1.00 1.52 H new ATOM 0 HA GLU A 11 -11.481 11.428 -12.445 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -12.761 13.212 -13.754 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -12.061 14.408 -12.682 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -9.844 12.955 -13.558 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -10.872 13.019 -14.975 1.00 1.63 H new ATOM 183 N LEU A 12 -11.164 13.700 -10.089 1.00 1.51 N ATOM 184 CA LEU A 12 -10.277 14.216 -9.045 1.00 1.50 C ATOM 185 C LEU A 12 -9.726 13.098 -8.159 1.00 1.40 C ATOM 186 O LEU A 12 -8.513 12.918 -8.052 1.00 1.33 O ATOM 187 CB LEU A 12 -11.031 15.229 -8.183 1.00 1.62 C ATOM 188 CG LEU A 12 -10.268 15.759 -6.965 1.00 1.65 C ATOM 189 CD1 LEU A 12 -9.062 16.579 -7.400 1.00 1.69 C ATOM 190 CD2 LEU A 12 -11.185 16.593 -6.081 1.00 1.82 C ATOM 0 H LEU A 12 -12.109 14.084 -10.060 1.00 1.51 H new ATOM 0 HA LEU A 12 -9.432 14.698 -9.537 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -11.312 16.075 -8.810 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -11.956 14.768 -7.837 1.00 1.62 H new ATOM 0 HG LEU A 12 -9.913 14.905 -6.388 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -8.535 16.946 -6.519 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -8.392 15.955 -7.991 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -9.395 17.425 -8.002 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -10.625 16.961 -5.221 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -11.571 17.438 -6.651 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -12.017 15.978 -5.737 1.00 1.82 H new ATOM 202 N LEU A 13 -10.622 12.345 -7.534 1.00 1.41 N ATOM 203 CA LEU A 13 -10.226 11.264 -6.634 1.00 1.35 C ATOM 204 C LEU A 13 -9.495 10.140 -7.364 1.00 1.23 C ATOM 205 O LEU A 13 -8.594 9.516 -6.803 1.00 1.18 O ATOM 206 CB LEU A 13 -11.455 10.706 -5.914 1.00 1.43 C ATOM 207 CG LEU A 13 -12.049 11.622 -4.838 1.00 1.43 C ATOM 208 CD1 LEU A 13 -13.340 11.026 -4.291 1.00 1.81 C ATOM 209 CD2 LEU A 13 -11.042 11.844 -3.715 1.00 1.76 C ATOM 0 H LEU A 13 -11.631 12.462 -7.633 1.00 1.41 H new ATOM 0 HA LEU A 13 -9.532 11.685 -5.907 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -12.226 10.494 -6.655 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -11.186 9.756 -5.453 1.00 1.43 H new ATOM 0 HG LEU A 13 -12.279 12.587 -5.289 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -13.751 11.687 -3.528 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -14.061 10.914 -5.101 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -13.133 10.050 -3.852 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -11.478 12.496 -2.959 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -10.784 10.886 -3.263 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -10.143 12.308 -4.119 1.00 1.76 H new ATOM 221 N LEU A 14 -9.864 9.901 -8.615 1.00 1.21 N ATOM 222 CA LEU A 14 -9.250 8.837 -9.399 1.00 1.13 C ATOM 223 C LEU A 14 -7.781 9.136 -9.685 1.00 1.11 C ATOM 224 O LEU A 14 -6.916 8.273 -9.517 1.00 1.04 O ATOM 225 CB LEU A 14 -10.001 8.632 -10.713 1.00 1.16 C ATOM 226 CG LEU A 14 -9.684 7.323 -11.439 1.00 1.09 C ATOM 227 CD1 LEU A 14 -10.195 6.132 -10.641 1.00 1.11 C ATOM 228 CD2 LEU A 14 -10.288 7.330 -12.830 1.00 1.23 C ATOM 0 H LEU A 14 -10.584 10.428 -9.109 1.00 1.21 H new ATOM 0 HA LEU A 14 -9.307 7.922 -8.810 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -11.072 8.669 -10.512 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -9.773 9.464 -11.379 1.00 1.16 H new ATOM 0 HG LEU A 14 -8.602 7.234 -11.533 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -9.960 5.210 -11.173 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -9.716 6.118 -9.662 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -11.275 6.214 -10.516 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -10.053 6.392 -13.333 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -11.370 7.442 -12.756 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -9.875 8.161 -13.402 1.00 1.23 H new ATOM 240 N LYS A 15 -7.508 10.359 -10.113 1.00 1.19 N ATOM 241 CA LYS A 15 -6.148 10.771 -10.427 1.00 1.19 C ATOM 242 C LYS A 15 -5.330 10.991 -9.157 1.00 1.14 C ATOM 243 O LYS A 15 -4.109 10.808 -9.156 1.00 1.09 O ATOM 244 CB LYS A 15 -6.163 12.027 -11.304 1.00 1.32 C ATOM 245 CG LYS A 15 -6.378 11.710 -12.775 1.00 1.56 C ATOM 246 CD LYS A 15 -7.012 12.870 -13.522 1.00 1.68 C ATOM 247 CE LYS A 15 -6.052 14.040 -13.669 1.00 1.70 C ATOM 248 NZ LYS A 15 -6.663 15.171 -14.417 1.00 1.93 N ATOM 0 H LYS A 15 -8.211 11.085 -10.251 1.00 1.19 H new ATOM 0 HA LYS A 15 -5.667 9.969 -10.987 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -6.952 12.696 -10.961 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -5.220 12.560 -11.185 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -5.422 11.462 -13.236 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -7.014 10.829 -12.867 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -7.331 12.536 -14.509 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -7.906 13.198 -12.992 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -5.744 14.383 -12.681 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -5.152 13.708 -14.186 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -6.030 15.995 -14.379 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -6.809 14.893 -15.408 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -7.578 15.417 -13.988 1.00 1.93 H new ATOM 262 N LYS A 16 -6.003 11.363 -8.072 1.00 1.17 N ATOM 263 CA LYS A 16 -5.329 11.580 -6.799 1.00 1.16 C ATOM 264 C LYS A 16 -4.776 10.265 -6.260 1.00 1.04 C ATOM 265 O LYS A 16 -3.602 10.172 -5.903 1.00 1.05 O ATOM 266 CB LYS A 16 -6.290 12.193 -5.777 1.00 1.26 C ATOM 267 CG LYS A 16 -6.149 13.702 -5.633 1.00 1.32 C ATOM 268 CD LYS A 16 -6.798 14.206 -4.352 1.00 1.30 C ATOM 269 CE LYS A 16 -6.512 15.685 -4.137 1.00 1.50 C ATOM 270 NZ LYS A 16 -7.021 16.174 -2.827 1.00 1.62 N ATOM 0 H LYS A 16 -7.011 11.520 -8.050 1.00 1.17 H new ATOM 0 HA LYS A 16 -4.504 12.273 -6.966 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -7.314 11.959 -6.068 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -6.120 11.727 -4.806 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -5.093 13.971 -5.637 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -6.606 14.194 -6.491 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -7.875 14.044 -4.398 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -6.426 13.633 -3.503 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -5.437 15.857 -4.194 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -6.970 16.262 -4.940 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -6.803 17.186 -2.726 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -8.051 16.035 -2.781 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -6.565 15.643 -2.057 1.00 1.62 H new ATOM 284 N ILE A 17 -5.630 9.247 -6.214 1.00 0.96 N ATOM 285 CA ILE A 17 -5.227 7.935 -5.721 1.00 0.88 C ATOM 286 C ILE A 17 -4.208 7.294 -6.668 1.00 0.85 C ATOM 287 O ILE A 17 -3.295 6.590 -6.232 1.00 0.83 O ATOM 288 CB ILE A 17 -6.451 7.008 -5.519 1.00 0.85 C ATOM 289 CG1 ILE A 17 -7.278 7.508 -4.325 1.00 1.01 C ATOM 290 CG2 ILE A 17 -6.015 5.559 -5.316 1.00 0.89 C ATOM 291 CD1 ILE A 17 -8.277 6.504 -3.789 1.00 1.02 C ATOM 0 H ILE A 17 -6.604 9.305 -6.512 1.00 0.96 H new ATOM 0 HA ILE A 17 -4.754 8.073 -4.749 1.00 0.88 H new ATOM 0 HB ILE A 17 -7.069 7.037 -6.416 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -6.598 7.790 -3.521 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -7.812 8.410 -4.622 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -6.895 4.930 -5.177 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -5.461 5.220 -6.191 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -5.377 5.491 -4.435 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -8.816 6.941 -2.948 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -8.984 6.239 -4.575 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -7.751 5.609 -3.457 1.00 1.02 H new ATOM 303 N ASP A 18 -4.349 7.561 -7.964 1.00 0.90 N ATOM 304 CA ASP A 18 -3.425 7.024 -8.959 1.00 0.93 C ATOM 305 C ASP A 18 -2.008 7.517 -8.679 1.00 0.93 C ATOM 306 O ASP A 18 -1.041 6.765 -8.784 1.00 0.93 O ATOM 307 CB ASP A 18 -3.844 7.441 -10.368 1.00 1.04 C ATOM 308 CG ASP A 18 -2.889 6.929 -11.427 1.00 1.20 C ATOM 309 OD1 ASP A 18 -2.920 5.715 -11.724 1.00 1.66 O ATOM 310 OD2 ASP A 18 -2.117 7.741 -11.984 1.00 1.62 O ATOM 0 H ASP A 18 -5.092 8.144 -8.349 1.00 0.90 H new ATOM 0 HA ASP A 18 -3.449 5.936 -8.894 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -4.846 7.064 -10.573 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -3.895 8.528 -10.423 1.00 1.04 H new ATOM 315 N SER A 19 -1.904 8.782 -8.300 1.00 0.99 N ATOM 316 CA SER A 19 -0.621 9.388 -7.990 1.00 1.03 C ATOM 317 C SER A 19 -0.015 8.778 -6.732 1.00 0.96 C ATOM 318 O SER A 19 1.207 8.713 -6.593 1.00 0.96 O ATOM 319 CB SER A 19 -0.787 10.896 -7.806 1.00 1.17 C ATOM 320 OG SER A 19 -1.333 11.500 -8.967 1.00 1.28 O ATOM 0 H SER A 19 -2.700 9.412 -8.200 1.00 0.99 H new ATOM 0 HA SER A 19 0.055 9.196 -8.823 1.00 1.03 H new ATOM 0 HB2 SER A 19 -1.436 11.091 -6.953 1.00 1.17 H new ATOM 0 HB3 SER A 19 0.180 11.346 -7.580 1.00 1.17 H new ATOM 0 HG SER A 19 -2.282 11.268 -9.041 1.00 1.28 H new ATOM 326 N LEU A 20 -0.874 8.341 -5.814 1.00 0.92 N ATOM 327 CA LEU A 20 -0.423 7.744 -4.560 1.00 0.90 C ATOM 328 C LEU A 20 0.428 6.502 -4.818 1.00 0.84 C ATOM 329 O LEU A 20 1.560 6.406 -4.345 1.00 0.86 O ATOM 330 CB LEU A 20 -1.631 7.395 -3.682 1.00 0.92 C ATOM 331 CG LEU A 20 -1.318 6.658 -2.379 1.00 1.01 C ATOM 332 CD1 LEU A 20 -1.729 7.505 -1.185 1.00 1.37 C ATOM 333 CD2 LEU A 20 -2.022 5.311 -2.362 1.00 1.14 C ATOM 0 H LEU A 20 -1.888 8.389 -5.916 1.00 0.92 H new ATOM 0 HA LEU A 20 0.198 8.471 -4.036 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -2.157 8.318 -3.438 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -2.317 6.783 -4.268 1.00 0.92 H new ATOM 0 HG LEU A 20 -0.244 6.483 -2.315 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -1.501 6.970 -0.263 1.00 1.37 H new ATOM 0 HD12 LEU A 20 -1.182 8.448 -1.202 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -2.799 7.706 -1.233 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -1.794 4.793 -1.431 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -3.099 5.462 -2.439 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -1.679 4.711 -3.205 1.00 1.14 H new ATOM 345 N ILE A 21 -0.102 5.576 -5.608 1.00 0.80 N ATOM 346 CA ILE A 21 0.618 4.341 -5.919 1.00 0.79 C ATOM 347 C ILE A 21 1.833 4.605 -6.809 1.00 0.81 C ATOM 348 O ILE A 21 2.837 3.897 -6.726 1.00 0.83 O ATOM 349 CB ILE A 21 -0.296 3.283 -6.581 1.00 0.81 C ATOM 350 CG1 ILE A 21 -1.338 3.937 -7.497 1.00 1.06 C ATOM 351 CG2 ILE A 21 -0.978 2.437 -5.514 1.00 1.04 C ATOM 352 CD1 ILE A 21 -2.236 2.940 -8.200 1.00 1.23 C ATOM 0 H ILE A 21 -1.021 5.653 -6.044 1.00 0.80 H new ATOM 0 HA ILE A 21 0.963 3.943 -4.965 1.00 0.79 H new ATOM 0 HB ILE A 21 0.328 2.638 -7.199 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -1.954 4.616 -6.907 1.00 1.06 H new ATOM 0 HG13 ILE A 21 -0.824 4.541 -8.245 1.00 1.06 H new ATOM 0 HG21 ILE A 21 -1.619 1.696 -5.992 1.00 1.04 H new ATOM 0 HG22 ILE A 21 -0.222 1.930 -4.913 1.00 1.04 H new ATOM 0 HG23 ILE A 21 -1.582 3.078 -4.872 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -2.948 3.473 -8.830 1.00 1.23 H new ATOM 0 HD12 ILE A 21 -1.630 2.277 -8.817 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -2.777 2.352 -7.459 1.00 1.23 H new ATOM 364 N GLU A 22 1.751 5.634 -7.642 1.00 0.84 N ATOM 365 CA GLU A 22 2.857 5.985 -8.526 1.00 0.90 C ATOM 366 C GLU A 22 4.061 6.479 -7.725 1.00 0.90 C ATOM 367 O GLU A 22 5.213 6.154 -8.039 1.00 0.93 O ATOM 368 CB GLU A 22 2.414 7.060 -9.516 1.00 0.98 C ATOM 369 CG GLU A 22 1.572 6.522 -10.656 1.00 1.29 C ATOM 370 CD GLU A 22 2.412 5.809 -11.685 1.00 1.78 C ATOM 371 OE1 GLU A 22 2.673 4.598 -11.521 1.00 2.22 O ATOM 372 OE2 GLU A 22 2.831 6.461 -12.661 1.00 2.29 O ATOM 0 H GLU A 22 0.934 6.239 -7.725 1.00 0.84 H new ATOM 0 HA GLU A 22 3.153 5.090 -9.074 1.00 0.90 H new ATOM 0 HB2 GLU A 22 1.845 7.822 -8.983 1.00 0.98 H new ATOM 0 HB3 GLU A 22 3.297 7.550 -9.927 1.00 0.98 H new ATOM 0 HG2 GLU A 22 0.821 5.837 -10.262 1.00 1.29 H new ATOM 0 HG3 GLU A 22 1.036 7.344 -11.131 1.00 1.29 H new ATOM 379 N ALA A 23 3.787 7.259 -6.691 1.00 0.89 N ATOM 380 CA ALA A 23 4.834 7.802 -5.839 1.00 0.92 C ATOM 381 C ALA A 23 5.546 6.699 -5.063 1.00 0.88 C ATOM 382 O ALA A 23 6.767 6.729 -4.902 1.00 0.89 O ATOM 383 CB ALA A 23 4.249 8.827 -4.885 1.00 0.94 C ATOM 0 H ALA A 23 2.842 7.532 -6.420 1.00 0.89 H new ATOM 0 HA ALA A 23 5.572 8.289 -6.477 1.00 0.92 H new ATOM 0 HB1 ALA A 23 5.040 9.228 -4.251 1.00 0.94 H new ATOM 0 HB2 ALA A 23 3.795 9.638 -5.455 1.00 0.94 H new ATOM 0 HB3 ALA A 23 3.491 8.353 -4.262 1.00 0.94 H new ATOM 389 N ILE A 24 4.782 5.721 -4.594 1.00 0.86 N ATOM 390 CA ILE A 24 5.342 4.604 -3.833 1.00 0.85 C ATOM 391 C ILE A 24 6.252 3.756 -4.715 1.00 0.83 C ATOM 392 O ILE A 24 7.276 3.236 -4.261 1.00 0.83 O ATOM 393 CB ILE A 24 4.235 3.715 -3.237 1.00 0.87 C ATOM 394 CG1 ILE A 24 3.176 4.588 -2.577 1.00 1.12 C ATOM 395 CG2 ILE A 24 4.822 2.738 -2.224 1.00 1.03 C ATOM 396 CD1 ILE A 24 1.940 3.836 -2.149 1.00 1.05 C ATOM 0 H ILE A 24 3.772 5.676 -4.726 1.00 0.86 H new ATOM 0 HA ILE A 24 5.923 5.030 -3.015 1.00 0.85 H new ATOM 0 HB ILE A 24 3.774 3.139 -4.039 1.00 0.87 H new ATOM 0 HG12 ILE A 24 3.613 5.075 -1.705 1.00 1.12 H new ATOM 0 HG13 ILE A 24 2.887 5.377 -3.271 1.00 1.12 H new ATOM 0 HG21 ILE A 24 4.025 2.118 -1.813 1.00 1.03 H new ATOM 0 HG22 ILE A 24 5.559 2.103 -2.716 1.00 1.03 H new ATOM 0 HG23 ILE A 24 5.302 3.294 -1.418 1.00 1.03 H new ATOM 0 HD11 ILE A 24 1.235 4.528 -1.688 1.00 1.05 H new ATOM 0 HD12 ILE A 24 1.477 3.372 -3.020 1.00 1.05 H new ATOM 0 HD13 ILE A 24 2.214 3.065 -1.430 1.00 1.05 H new ATOM 408 N LYS A 25 5.873 3.627 -5.981 1.00 0.83 N ATOM 409 CA LYS A 25 6.664 2.865 -6.939 1.00 0.84 C ATOM 410 C LYS A 25 8.042 3.505 -7.091 1.00 0.86 C ATOM 411 O LYS A 25 9.045 2.820 -7.302 1.00 0.86 O ATOM 412 CB LYS A 25 5.952 2.813 -8.293 1.00 0.88 C ATOM 413 CG LYS A 25 6.604 1.873 -9.297 1.00 0.96 C ATOM 414 CD LYS A 25 6.240 0.422 -9.025 1.00 1.13 C ATOM 415 CE LYS A 25 7.130 -0.531 -9.799 1.00 1.39 C ATOM 416 NZ LYS A 25 7.269 -0.137 -11.222 1.00 1.61 N ATOM 0 H LYS A 25 5.024 4.040 -6.367 1.00 0.83 H new ATOM 0 HA LYS A 25 6.782 1.845 -6.572 1.00 0.84 H new ATOM 0 HB2 LYS A 25 4.919 2.503 -8.137 1.00 0.88 H new ATOM 0 HB3 LYS A 25 5.923 3.817 -8.716 1.00 0.88 H new ATOM 0 HG2 LYS A 25 6.292 2.144 -10.306 1.00 0.96 H new ATOM 0 HG3 LYS A 25 7.687 1.991 -9.256 1.00 0.96 H new ATOM 0 HD2 LYS A 25 6.329 0.218 -7.958 1.00 1.13 H new ATOM 0 HD3 LYS A 25 5.199 0.250 -9.297 1.00 1.13 H new ATOM 0 HE2 LYS A 25 8.116 -0.563 -9.335 1.00 1.39 H new ATOM 0 HE3 LYS A 25 6.718 -1.538 -9.741 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 7.710 -0.913 -11.756 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 6.330 0.066 -11.619 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 7.865 0.713 -11.290 1.00 1.61 H new ATOM 430 N LYS A 26 8.073 4.828 -6.975 1.00 0.87 N ATOM 431 CA LYS A 26 9.315 5.581 -7.075 1.00 0.91 C ATOM 432 C LYS A 26 10.185 5.350 -5.841 1.00 0.90 C ATOM 433 O LYS A 26 11.405 5.243 -5.949 1.00 0.91 O ATOM 434 CB LYS A 26 9.017 7.074 -7.239 1.00 0.97 C ATOM 435 CG LYS A 26 9.606 7.675 -8.502 1.00 1.07 C ATOM 436 CD LYS A 26 11.103 7.906 -8.367 1.00 1.21 C ATOM 437 CE LYS A 26 11.714 8.357 -9.683 1.00 1.35 C ATOM 438 NZ LYS A 26 13.106 8.855 -9.506 1.00 1.42 N ATOM 0 H LYS A 26 7.246 5.403 -6.811 1.00 0.87 H new ATOM 0 HA LYS A 26 9.860 5.232 -7.952 1.00 0.91 H new ATOM 0 HB2 LYS A 26 7.937 7.222 -7.245 1.00 0.97 H new ATOM 0 HB3 LYS A 26 9.407 7.611 -6.375 1.00 0.97 H new ATOM 0 HG2 LYS A 26 9.414 7.011 -9.345 1.00 1.07 H new ATOM 0 HG3 LYS A 26 9.110 8.620 -8.721 1.00 1.07 H new ATOM 0 HD2 LYS A 26 11.289 8.658 -7.601 1.00 1.21 H new ATOM 0 HD3 LYS A 26 11.586 6.987 -8.035 1.00 1.21 H new ATOM 0 HE2 LYS A 26 11.713 7.526 -10.388 1.00 1.35 H new ATOM 0 HE3 LYS A 26 11.099 9.145 -10.118 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 13.409 9.352 -10.368 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 13.141 9.509 -8.698 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 13.742 8.052 -9.328 1.00 1.42 H new ATOM 452 N ILE A 27 9.545 5.253 -4.678 1.00 0.88 N ATOM 453 CA ILE A 27 10.253 5.035 -3.414 1.00 0.89 C ATOM 454 C ILE A 27 11.158 3.807 -3.492 1.00 0.87 C ATOM 455 O ILE A 27 12.351 3.880 -3.191 1.00 0.90 O ATOM 456 CB ILE A 27 9.262 4.831 -2.241 1.00 0.90 C ATOM 457 CG1 ILE A 27 8.393 6.078 -2.034 1.00 0.90 C ATOM 458 CG2 ILE A 27 10.004 4.465 -0.954 1.00 0.93 C ATOM 459 CD1 ILE A 27 9.028 7.141 -1.166 1.00 1.31 C ATOM 0 H ILE A 27 8.532 5.322 -4.582 1.00 0.88 H new ATOM 0 HA ILE A 27 10.854 5.927 -3.237 1.00 0.89 H new ATOM 0 HB ILE A 27 8.605 4.000 -2.499 1.00 0.90 H new ATOM 0 HG12 ILE A 27 8.161 6.511 -3.007 1.00 0.90 H new ATOM 0 HG13 ILE A 27 7.446 5.777 -1.585 1.00 0.90 H new ATOM 0 HG21 ILE A 27 9.285 4.327 -0.146 1.00 0.93 H new ATOM 0 HG22 ILE A 27 10.561 3.540 -1.106 1.00 0.93 H new ATOM 0 HG23 ILE A 27 10.695 5.266 -0.692 1.00 0.93 H new ATOM 0 HD11 ILE A 27 8.348 7.987 -1.071 1.00 1.31 H new ATOM 0 HD12 ILE A 27 9.234 6.729 -0.178 1.00 1.31 H new ATOM 0 HD13 ILE A 27 9.960 7.474 -1.622 1.00 1.31 H new ATOM 471 N ILE A 28 10.585 2.680 -3.908 1.00 0.83 N ATOM 472 CA ILE A 28 11.340 1.436 -4.003 1.00 0.82 C ATOM 473 C ILE A 28 12.393 1.494 -5.115 1.00 0.83 C ATOM 474 O ILE A 28 13.487 0.941 -4.973 1.00 0.84 O ATOM 475 CB ILE A 28 10.408 0.208 -4.203 1.00 0.82 C ATOM 476 CG1 ILE A 28 11.142 -1.092 -3.853 1.00 0.88 C ATOM 477 CG2 ILE A 28 9.863 0.144 -5.623 1.00 0.88 C ATOM 478 CD1 ILE A 28 11.329 -1.300 -2.367 1.00 1.05 C ATOM 0 H ILE A 28 9.606 2.604 -4.183 1.00 0.83 H new ATOM 0 HA ILE A 28 11.858 1.314 -3.052 1.00 0.82 H new ATOM 0 HB ILE A 28 9.562 0.325 -3.526 1.00 0.82 H new ATOM 0 HG12 ILE A 28 10.586 -1.935 -4.262 1.00 0.88 H new ATOM 0 HG13 ILE A 28 12.119 -1.090 -4.337 1.00 0.88 H new ATOM 0 HG21 ILE A 28 9.216 -0.727 -5.725 1.00 0.88 H new ATOM 0 HG22 ILE A 28 9.291 1.048 -5.834 1.00 0.88 H new ATOM 0 HG23 ILE A 28 10.691 0.066 -6.327 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.855 -2.239 -2.194 1.00 1.05 H new ATOM 0 HD12 ILE A 28 11.912 -0.476 -1.955 1.00 1.05 H new ATOM 0 HD13 ILE A 28 10.355 -1.335 -1.879 1.00 1.05 H new ATOM 490 N ALA A 29 12.072 2.183 -6.206 1.00 0.84 N ATOM 491 CA ALA A 29 12.986 2.307 -7.333 1.00 0.87 C ATOM 492 C ALA A 29 14.260 3.039 -6.919 1.00 0.90 C ATOM 493 O ALA A 29 15.365 2.651 -7.314 1.00 0.93 O ATOM 494 CB ALA A 29 12.308 3.028 -8.487 1.00 0.90 C ATOM 0 H ALA A 29 11.182 2.665 -6.332 1.00 0.84 H new ATOM 0 HA ALA A 29 13.262 1.305 -7.663 1.00 0.87 H new ATOM 0 HB1 ALA A 29 13.004 3.113 -9.322 1.00 0.90 H new ATOM 0 HB2 ALA A 29 11.430 2.465 -8.802 1.00 0.90 H new ATOM 0 HB3 ALA A 29 12.004 4.024 -8.165 1.00 0.90 H new ATOM 500 N GLU A 30 14.101 4.080 -6.107 1.00 0.93 N ATOM 501 CA GLU A 30 15.236 4.867 -5.642 1.00 0.99 C ATOM 502 C GLU A 30 16.131 4.054 -4.715 1.00 0.99 C ATOM 503 O GLU A 30 17.352 4.207 -4.735 1.00 1.01 O ATOM 504 CB GLU A 30 14.767 6.136 -4.931 1.00 1.06 C ATOM 505 CG GLU A 30 13.991 7.086 -5.830 1.00 1.10 C ATOM 506 CD GLU A 30 14.706 7.398 -7.131 1.00 1.18 C ATOM 507 OE1 GLU A 30 15.664 8.195 -7.114 1.00 1.46 O ATOM 508 OE2 GLU A 30 14.294 6.866 -8.184 1.00 1.25 O ATOM 0 H GLU A 30 13.197 4.397 -5.758 1.00 0.93 H new ATOM 0 HA GLU A 30 15.816 5.150 -6.520 1.00 0.99 H new ATOM 0 HB2 GLU A 30 14.140 5.857 -4.084 1.00 1.06 H new ATOM 0 HB3 GLU A 30 15.635 6.658 -4.527 1.00 1.06 H new ATOM 0 HG2 GLU A 30 13.017 6.650 -6.054 1.00 1.10 H new ATOM 0 HG3 GLU A 30 13.807 8.016 -5.292 1.00 1.10 H new ATOM 515 N PHE A 31 15.527 3.183 -3.907 1.00 0.97 N ATOM 516 CA PHE A 31 16.289 2.351 -2.979 1.00 1.00 C ATOM 517 C PHE A 31 17.264 1.464 -3.741 1.00 0.97 C ATOM 518 O PHE A 31 18.403 1.263 -3.314 1.00 1.00 O ATOM 519 CB PHE A 31 15.358 1.488 -2.120 1.00 1.02 C ATOM 520 CG PHE A 31 14.622 2.240 -1.042 1.00 1.10 C ATOM 521 CD1 PHE A 31 15.064 3.481 -0.593 1.00 1.79 C ATOM 522 CD2 PHE A 31 13.493 1.690 -0.462 1.00 1.42 C ATOM 523 CE1 PHE A 31 14.389 4.151 0.405 1.00 1.98 C ATOM 524 CE2 PHE A 31 12.812 2.359 0.537 1.00 1.58 C ATOM 525 CZ PHE A 31 13.261 3.590 0.972 1.00 1.54 C ATOM 0 H PHE A 31 14.518 3.036 -3.877 1.00 0.97 H new ATOM 0 HA PHE A 31 16.850 3.012 -2.319 1.00 1.00 H new ATOM 0 HB2 PHE A 31 14.629 1.005 -2.771 1.00 1.02 H new ATOM 0 HB3 PHE A 31 15.945 0.695 -1.656 1.00 1.02 H new ATOM 0 HD1 PHE A 31 15.946 3.924 -1.031 1.00 1.79 H new ATOM 0 HD2 PHE A 31 13.139 0.725 -0.794 1.00 1.42 H new ATOM 0 HE1 PHE A 31 14.742 5.114 0.743 1.00 1.98 H new ATOM 0 HE2 PHE A 31 11.929 1.919 0.977 1.00 1.58 H new ATOM 0 HZ PHE A 31 12.731 4.113 1.754 1.00 1.54 H new ATOM 535 N ASP A 32 16.814 0.945 -4.878 1.00 0.93 N ATOM 536 CA ASP A 32 17.656 0.095 -5.712 1.00 0.92 C ATOM 537 C ASP A 32 18.805 0.909 -6.306 1.00 0.92 C ATOM 538 O ASP A 32 19.937 0.430 -6.416 1.00 0.93 O ATOM 539 CB ASP A 32 16.830 -0.549 -6.827 1.00 0.94 C ATOM 540 CG ASP A 32 17.679 -1.354 -7.796 1.00 1.15 C ATOM 541 OD1 ASP A 32 17.978 -2.532 -7.504 1.00 1.54 O ATOM 542 OD2 ASP A 32 18.037 -0.818 -8.865 1.00 1.45 O ATOM 0 H ASP A 32 15.874 1.097 -5.243 1.00 0.93 H new ATOM 0 HA ASP A 32 18.073 -0.697 -5.090 1.00 0.92 H new ATOM 0 HB2 ASP A 32 16.075 -1.199 -6.385 1.00 0.94 H new ATOM 0 HB3 ASP A 32 16.299 0.229 -7.376 1.00 0.94 H new ATOM 547 N VAL A 33 18.504 2.153 -6.670 1.00 0.93 N ATOM 548 CA VAL A 33 19.503 3.054 -7.240 1.00 0.95 C ATOM 549 C VAL A 33 20.561 3.408 -6.202 1.00 0.96 C ATOM 550 O VAL A 33 21.756 3.373 -6.483 1.00 0.97 O ATOM 551 CB VAL A 33 18.869 4.367 -7.755 1.00 0.99 C ATOM 552 CG1 VAL A 33 19.926 5.294 -8.340 1.00 1.06 C ATOM 553 CG2 VAL A 33 17.788 4.080 -8.781 1.00 0.98 C ATOM 0 H VAL A 33 17.574 2.561 -6.580 1.00 0.93 H new ATOM 0 HA VAL A 33 19.957 2.526 -8.079 1.00 0.95 H new ATOM 0 HB VAL A 33 18.410 4.870 -6.904 1.00 0.99 H new ATOM 0 HG11 VAL A 33 19.452 6.209 -8.694 1.00 1.06 H new ATOM 0 HG12 VAL A 33 20.660 5.539 -7.572 1.00 1.06 H new ATOM 0 HG13 VAL A 33 20.424 4.798 -9.173 1.00 1.06 H new ATOM 0 HG21 VAL A 33 17.357 5.019 -9.128 1.00 0.98 H new ATOM 0 HG22 VAL A 33 18.221 3.545 -9.626 1.00 0.98 H new ATOM 0 HG23 VAL A 33 17.008 3.469 -8.327 1.00 0.98 H new ATOM 563 N VAL A 34 20.110 3.749 -5.000 1.00 0.98 N ATOM 564 CA VAL A 34 21.013 4.108 -3.910 1.00 1.02 C ATOM 565 C VAL A 34 21.957 2.952 -3.576 1.00 1.02 C ATOM 566 O VAL A 34 23.126 3.171 -3.277 1.00 1.04 O ATOM 567 CB VAL A 34 20.233 4.532 -2.644 1.00 1.07 C ATOM 568 CG1 VAL A 34 21.174 4.755 -1.464 1.00 1.14 C ATOM 569 CG2 VAL A 34 19.436 5.798 -2.923 1.00 1.08 C ATOM 0 H VAL A 34 19.121 3.785 -4.754 1.00 0.98 H new ATOM 0 HA VAL A 34 21.604 4.958 -4.250 1.00 1.02 H new ATOM 0 HB VAL A 34 19.548 3.725 -2.382 1.00 1.07 H new ATOM 0 HG11 VAL A 34 20.596 5.052 -0.589 1.00 1.14 H new ATOM 0 HG12 VAL A 34 21.711 3.832 -1.248 1.00 1.14 H new ATOM 0 HG13 VAL A 34 21.888 5.541 -1.711 1.00 1.14 H new ATOM 0 HG21 VAL A 34 18.890 6.089 -2.026 1.00 1.08 H new ATOM 0 HG22 VAL A 34 20.116 6.600 -3.210 1.00 1.08 H new ATOM 0 HG23 VAL A 34 18.731 5.613 -3.733 1.00 1.08 H new ATOM 579 N LYS A 35 21.453 1.728 -3.659 1.00 1.00 N ATOM 580 CA LYS A 35 22.267 0.551 -3.372 1.00 1.02 C ATOM 581 C LYS A 35 23.438 0.463 -4.353 1.00 1.01 C ATOM 582 O LYS A 35 24.564 0.149 -3.971 1.00 1.04 O ATOM 583 CB LYS A 35 21.414 -0.719 -3.427 1.00 1.02 C ATOM 584 CG LYS A 35 22.039 -1.904 -2.703 1.00 1.06 C ATOM 585 CD LYS A 35 21.039 -3.025 -2.509 1.00 1.23 C ATOM 586 CE LYS A 35 21.614 -4.131 -1.637 1.00 1.45 C ATOM 587 NZ LYS A 35 20.697 -5.295 -1.526 1.00 1.92 N ATOM 0 H LYS A 35 20.489 1.523 -3.921 1.00 1.00 H new ATOM 0 HA LYS A 35 22.670 0.644 -2.364 1.00 1.02 H new ATOM 0 HB2 LYS A 35 20.438 -0.510 -2.990 1.00 1.02 H new ATOM 0 HB3 LYS A 35 21.245 -0.989 -4.470 1.00 1.02 H new ATOM 0 HG2 LYS A 35 22.893 -2.271 -3.273 1.00 1.06 H new ATOM 0 HG3 LYS A 35 22.418 -1.581 -1.733 1.00 1.06 H new ATOM 0 HD2 LYS A 35 20.132 -2.631 -2.050 1.00 1.23 H new ATOM 0 HD3 LYS A 35 20.754 -3.434 -3.479 1.00 1.23 H new ATOM 0 HE2 LYS A 35 22.567 -4.460 -2.052 1.00 1.45 H new ATOM 0 HE3 LYS A 35 21.819 -3.737 -0.642 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 21.131 -6.023 -0.923 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 19.796 -4.989 -1.105 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 20.521 -5.690 -2.472 1.00 1.92 H new ATOM 601 N GLU A 36 23.160 0.744 -5.621 1.00 0.99 N ATOM 602 CA GLU A 36 24.190 0.723 -6.653 1.00 1.00 C ATOM 603 C GLU A 36 25.114 1.940 -6.518 1.00 0.99 C ATOM 604 O GLU A 36 26.327 1.855 -6.734 1.00 1.01 O ATOM 605 CB GLU A 36 23.538 0.695 -8.041 1.00 1.03 C ATOM 606 CG GLU A 36 24.533 0.782 -9.189 1.00 1.31 C ATOM 607 CD GLU A 36 25.239 -0.530 -9.464 1.00 1.41 C ATOM 608 OE1 GLU A 36 25.960 -1.028 -8.571 1.00 1.44 O ATOM 609 OE2 GLU A 36 25.084 -1.068 -10.581 1.00 1.71 O ATOM 0 H GLU A 36 22.229 0.989 -5.959 1.00 0.99 H new ATOM 0 HA GLU A 36 24.793 -0.177 -6.529 1.00 1.00 H new ATOM 0 HB2 GLU A 36 22.960 -0.224 -8.142 1.00 1.03 H new ATOM 0 HB3 GLU A 36 22.835 1.524 -8.119 1.00 1.03 H new ATOM 0 HG2 GLU A 36 24.011 1.103 -10.091 1.00 1.31 H new ATOM 0 HG3 GLU A 36 25.276 1.547 -8.961 1.00 1.31 H new ATOM 616 N SER A 37 24.543 3.058 -6.138 1.00 0.00 N ATOM 617 CA SER A 37 25.259 4.321 -5.984 1.00 0.00 C ATOM 618 C SER A 37 26.335 4.208 -4.929 1.00 0.00 C ATOM 619 O SER A 37 27.491 4.626 -5.150 1.00 0.00 O ATOM 620 CB SER A 37 24.277 5.478 -5.675 1.00 0.00 C ATOM 621 OG SER A 37 23.399 5.770 -6.768 1.00 0.00 O ATOM 0 H SER A 37 23.549 3.126 -5.921 1.00 0.00 H new ATOM 0 HA SER A 37 25.751 4.551 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 23.684 5.220 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 37 24.846 6.373 -5.423 1.00 0.00 H new ATOM 0 HG SER A 37 22.736 5.054 -6.855 1.00 0.00 H new ATOM 627 N VAL A 38 26.017 3.658 -3.754 1.00 1.03 N ATOM 628 CA VAL A 38 26.989 3.523 -2.671 1.00 1.06 C ATOM 629 C VAL A 38 28.090 2.536 -3.051 1.00 1.07 C ATOM 630 O VAL A 38 29.215 2.638 -2.569 1.00 1.09 O ATOM 631 CB VAL A 38 26.333 3.090 -1.340 1.00 1.10 C ATOM 632 CG1 VAL A 38 25.267 4.093 -0.921 1.00 1.12 C ATOM 633 CG2 VAL A 38 25.746 1.693 -1.444 1.00 1.10 C ATOM 0 H VAL A 38 25.089 3.298 -3.530 1.00 1.03 H new ATOM 0 HA VAL A 38 27.425 4.510 -2.518 1.00 1.06 H new ATOM 0 HB VAL A 38 27.108 3.068 -0.574 1.00 1.10 H new ATOM 0 HG11 VAL A 38 24.815 3.773 0.018 1.00 1.12 H new ATOM 0 HG12 VAL A 38 25.723 5.074 -0.788 1.00 1.12 H new ATOM 0 HG13 VAL A 38 24.499 4.151 -1.692 1.00 1.12 H new ATOM 0 HG21 VAL A 38 25.292 1.417 -0.492 1.00 1.10 H new ATOM 0 HG22 VAL A 38 24.988 1.674 -2.227 1.00 1.10 H new ATOM 0 HG23 VAL A 38 26.537 0.983 -1.688 1.00 1.10 H new ATOM 643 N ASN A 39 27.751 1.587 -3.918 1.00 1.05 N ATOM 644 CA ASN A 39 28.698 0.577 -4.389 1.00 1.08 C ATOM 645 C ASN A 39 29.855 1.240 -5.141 1.00 1.07 C ATOM 646 O ASN A 39 31.031 0.987 -4.860 1.00 1.10 O ATOM 647 CB ASN A 39 27.952 -0.419 -5.293 1.00 1.10 C ATOM 648 CG ASN A 39 28.861 -1.307 -6.123 1.00 1.41 C ATOM 649 OD1 ASN A 39 29.939 -1.714 -5.685 1.00 1.68 O ATOM 650 ND2 ASN A 39 28.424 -1.620 -7.335 1.00 1.72 N ATOM 0 H ASN A 39 26.816 1.495 -4.314 1.00 1.05 H new ATOM 0 HA ASN A 39 29.121 0.042 -3.539 1.00 1.08 H new ATOM 0 HB2 ASN A 39 27.315 -1.049 -4.672 1.00 1.10 H new ATOM 0 HB3 ASN A 39 27.295 0.137 -5.962 1.00 1.10 H new ATOM 0 HD21 ASN A 39 28.986 -2.218 -7.941 1.00 1.72 H new ATOM 0 HD22 ASN A 39 27.526 -1.263 -7.661 1.00 1.72 H new ATOM 657 N GLU A 40 29.509 2.117 -6.073 1.00 1.06 N ATOM 658 CA GLU A 40 30.500 2.827 -6.875 1.00 1.08 C ATOM 659 C GLU A 40 31.220 3.896 -6.054 1.00 1.06 C ATOM 660 O GLU A 40 32.435 4.068 -6.165 1.00 1.09 O ATOM 661 CB GLU A 40 29.825 3.470 -8.086 1.00 1.11 C ATOM 662 CG GLU A 40 29.175 2.462 -9.017 1.00 1.33 C ATOM 663 CD GLU A 40 30.185 1.577 -9.715 1.00 1.77 C ATOM 664 OE1 GLU A 40 30.668 0.606 -9.096 1.00 2.31 O ATOM 665 OE2 GLU A 40 30.510 1.853 -10.886 1.00 2.13 O ATOM 0 H GLU A 40 28.543 2.356 -6.295 1.00 1.06 H new ATOM 0 HA GLU A 40 31.242 2.103 -7.211 1.00 1.08 H new ATOM 0 HB2 GLU A 40 29.069 4.175 -7.740 1.00 1.11 H new ATOM 0 HB3 GLU A 40 30.565 4.044 -8.643 1.00 1.11 H new ATOM 0 HG2 GLU A 40 28.485 1.840 -8.447 1.00 1.33 H new ATOM 0 HG3 GLU A 40 28.584 2.992 -9.764 1.00 1.33 H new ATOM 672 N LEU A 41 30.462 4.602 -5.223 1.00 1.04 N ATOM 673 CA LEU A 41 31.013 5.664 -4.384 1.00 1.05 C ATOM 674 C LEU A 41 32.062 5.123 -3.417 1.00 1.08 C ATOM 675 O LEU A 41 33.107 5.736 -3.221 1.00 1.12 O ATOM 676 CB LEU A 41 29.889 6.351 -3.604 1.00 1.04 C ATOM 677 CG LEU A 41 30.301 7.602 -2.824 1.00 1.04 C ATOM 678 CD1 LEU A 41 30.685 8.730 -3.772 1.00 1.19 C ATOM 679 CD2 LEU A 41 29.174 8.044 -1.905 1.00 1.07 C ATOM 0 H LEU A 41 29.458 4.458 -5.111 1.00 1.04 H new ATOM 0 HA LEU A 41 31.499 6.389 -5.037 1.00 1.05 H new ATOM 0 HB2 LEU A 41 29.098 6.623 -4.303 1.00 1.04 H new ATOM 0 HB3 LEU A 41 29.462 5.632 -2.905 1.00 1.04 H new ATOM 0 HG LEU A 41 31.173 7.356 -2.218 1.00 1.04 H new ATOM 0 HD11 LEU A 41 30.974 9.608 -3.195 1.00 1.19 H new ATOM 0 HD12 LEU A 41 31.522 8.413 -4.394 1.00 1.19 H new ATOM 0 HD13 LEU A 41 29.834 8.977 -4.407 1.00 1.19 H new ATOM 0 HD21 LEU A 41 29.480 8.935 -1.356 1.00 1.07 H new ATOM 0 HD22 LEU A 41 28.288 8.270 -2.498 1.00 1.07 H new ATOM 0 HD23 LEU A 41 28.944 7.245 -1.200 1.00 1.07 H new ATOM 691 N SER A 42 31.781 3.969 -2.822 1.00 1.07 N ATOM 692 CA SER A 42 32.704 3.359 -1.879 1.00 1.12 C ATOM 693 C SER A 42 34.005 2.977 -2.572 1.00 1.16 C ATOM 694 O SER A 42 35.074 3.086 -1.982 1.00 1.20 O ATOM 695 CB SER A 42 32.078 2.124 -1.215 1.00 1.13 C ATOM 696 OG SER A 42 32.806 1.746 -0.056 1.00 1.47 O ATOM 0 H SER A 42 30.923 3.440 -2.977 1.00 1.07 H new ATOM 0 HA SER A 42 32.921 4.093 -1.103 1.00 1.12 H new ATOM 0 HB2 SER A 42 31.043 2.336 -0.946 1.00 1.13 H new ATOM 0 HB3 SER A 42 32.059 1.296 -1.923 1.00 1.13 H new ATOM 0 HG SER A 42 32.388 0.958 0.351 1.00 1.47 H new ATOM 702 N GLU A 43 33.912 2.542 -3.826 1.00 1.16 N ATOM 703 CA GLU A 43 35.096 2.153 -4.577 1.00 1.22 C ATOM 704 C GLU A 43 35.993 3.359 -4.836 1.00 1.21 C ATOM 705 O GLU A 43 37.207 3.294 -4.649 1.00 1.25 O ATOM 706 CB GLU A 43 34.705 1.494 -5.897 1.00 1.27 C ATOM 707 CG GLU A 43 35.750 0.516 -6.407 1.00 1.60 C ATOM 708 CD GLU A 43 36.345 -0.324 -5.294 1.00 1.71 C ATOM 709 OE1 GLU A 43 35.573 -0.973 -4.553 1.00 1.94 O ATOM 710 OE2 GLU A 43 37.582 -0.331 -5.142 1.00 1.98 O ATOM 0 H GLU A 43 33.035 2.451 -4.338 1.00 1.16 H new ATOM 0 HA GLU A 43 35.652 1.431 -3.979 1.00 1.22 H new ATOM 0 HB2 GLU A 43 33.758 0.970 -5.768 1.00 1.27 H new ATOM 0 HB3 GLU A 43 34.542 2.267 -6.648 1.00 1.27 H new ATOM 0 HG2 GLU A 43 35.298 -0.139 -7.152 1.00 1.60 H new ATOM 0 HG3 GLU A 43 36.546 1.067 -6.908 1.00 1.60 H new ATOM 717 N LYS A 44 35.389 4.468 -5.244 1.00 1.18 N ATOM 718 CA LYS A 44 36.144 5.687 -5.526 1.00 1.20 C ATOM 719 C LYS A 44 36.732 6.269 -4.246 1.00 1.20 C ATOM 720 O LYS A 44 37.788 6.903 -4.267 1.00 1.25 O ATOM 721 CB LYS A 44 35.253 6.720 -6.215 1.00 1.22 C ATOM 722 CG LYS A 44 35.077 6.469 -7.704 1.00 1.25 C ATOM 723 CD LYS A 44 36.254 7.007 -8.505 1.00 1.46 C ATOM 724 CE LYS A 44 36.090 6.726 -9.988 1.00 1.75 C ATOM 725 NZ LYS A 44 37.176 7.345 -10.792 1.00 2.12 N ATOM 0 H LYS A 44 34.383 4.551 -5.387 1.00 1.18 H new ATOM 0 HA LYS A 44 36.965 5.430 -6.195 1.00 1.20 H new ATOM 0 HB2 LYS A 44 34.274 6.721 -5.736 1.00 1.22 H new ATOM 0 HB3 LYS A 44 35.680 7.712 -6.069 1.00 1.22 H new ATOM 0 HG2 LYS A 44 34.973 5.399 -7.883 1.00 1.25 H new ATOM 0 HG3 LYS A 44 34.156 6.941 -8.047 1.00 1.25 H new ATOM 0 HD2 LYS A 44 36.344 8.081 -8.345 1.00 1.46 H new ATOM 0 HD3 LYS A 44 37.178 6.552 -8.147 1.00 1.46 H new ATOM 0 HE2 LYS A 44 36.083 5.649 -10.155 1.00 1.75 H new ATOM 0 HE3 LYS A 44 35.126 7.107 -10.325 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 37.028 7.130 -11.799 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 37.167 8.376 -10.653 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 38.094 6.963 -10.488 1.00 2.12 H new ATOM 739 N ALA A 45 36.047 6.037 -3.137 1.00 1.17 N ATOM 740 CA ALA A 45 36.489 6.534 -1.843 1.00 1.18 C ATOM 741 C ALA A 45 37.651 5.706 -1.302 1.00 1.18 C ATOM 742 O ALA A 45 38.514 6.223 -0.601 1.00 1.19 O ATOM 743 CB ALA A 45 35.334 6.538 -0.850 1.00 1.21 C ATOM 0 H ALA A 45 35.178 5.504 -3.107 1.00 1.17 H new ATOM 0 HA ALA A 45 36.838 7.558 -1.979 1.00 1.18 H new ATOM 0 HB1 ALA A 45 35.683 6.913 0.112 1.00 1.21 H new ATOM 0 HB2 ALA A 45 34.536 7.181 -1.222 1.00 1.21 H new ATOM 0 HB3 ALA A 45 34.955 5.523 -0.729 1.00 1.21 H new ATOM 749 N LYS A 46 37.680 4.424 -1.650 1.00 1.21 N ATOM 750 CA LYS A 46 38.731 3.524 -1.189 1.00 1.24 C ATOM 751 C LYS A 46 40.095 3.911 -1.758 1.00 1.24 C ATOM 752 O LYS A 46 41.132 3.512 -1.230 1.00 1.27 O ATOM 753 CB LYS A 46 38.398 2.079 -1.565 1.00 1.32 C ATOM 754 CG LYS A 46 37.451 1.401 -0.586 1.00 1.61 C ATOM 755 CD LYS A 46 36.695 0.249 -1.233 1.00 2.02 C ATOM 756 CE LYS A 46 37.637 -0.821 -1.770 1.00 2.38 C ATOM 757 NZ LYS A 46 36.897 -1.948 -2.400 1.00 2.75 N ATOM 0 H LYS A 46 36.985 3.983 -2.252 1.00 1.21 H new ATOM 0 HA LYS A 46 38.784 3.610 -0.104 1.00 1.24 H new ATOM 0 HB2 LYS A 46 37.952 2.064 -2.559 1.00 1.32 H new ATOM 0 HB3 LYS A 46 39.322 1.504 -1.622 1.00 1.32 H new ATOM 0 HG2 LYS A 46 38.017 1.030 0.268 1.00 1.61 H new ATOM 0 HG3 LYS A 46 36.740 2.133 -0.203 1.00 1.61 H new ATOM 0 HD2 LYS A 46 36.019 -0.196 -0.503 1.00 2.02 H new ATOM 0 HD3 LYS A 46 36.079 0.631 -2.047 1.00 2.02 H new ATOM 0 HE2 LYS A 46 38.312 -0.376 -2.501 1.00 2.38 H new ATOM 0 HE3 LYS A 46 38.255 -1.202 -0.957 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 37.574 -2.654 -2.752 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 36.272 -2.389 -1.696 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 36.327 -1.589 -3.193 1.00 2.75 H new ATOM 771 N THR A 47 40.091 4.702 -2.822 1.00 1.23 N ATOM 772 CA THR A 47 41.325 5.130 -3.459 1.00 1.26 C ATOM 773 C THR A 47 41.957 6.310 -2.715 1.00 1.21 C ATOM 774 O THR A 47 43.111 6.665 -2.958 1.00 1.30 O ATOM 775 CB THR A 47 41.071 5.524 -4.926 1.00 1.39 C ATOM 776 OG1 THR A 47 40.113 4.623 -5.512 1.00 1.54 O ATOM 777 CG2 THR A 47 42.363 5.487 -5.730 1.00 1.62 C ATOM 0 H THR A 47 39.243 5.060 -3.262 1.00 1.23 H new ATOM 0 HA THR A 47 42.017 4.288 -3.426 1.00 1.26 H new ATOM 0 HB THR A 47 40.680 6.541 -4.945 1.00 1.39 H new ATOM 0 HG1 THR A 47 39.952 4.878 -6.445 1.00 1.54 H new ATOM 0 HG21 THR A 47 42.157 5.769 -6.763 1.00 1.62 H new ATOM 0 HG22 THR A 47 43.080 6.186 -5.299 1.00 1.62 H new ATOM 0 HG23 THR A 47 42.778 4.480 -5.705 1.00 1.62 H new ATOM 785 N ASP A 48 41.209 6.908 -1.797 1.00 1.15 N ATOM 786 CA ASP A 48 41.712 8.047 -1.037 1.00 1.15 C ATOM 787 C ASP A 48 41.539 7.820 0.463 1.00 1.09 C ATOM 788 O ASP A 48 40.454 7.477 0.922 1.00 1.06 O ATOM 789 CB ASP A 48 40.992 9.329 -1.466 1.00 1.24 C ATOM 790 CG ASP A 48 41.521 10.559 -0.758 1.00 1.32 C ATOM 791 OD1 ASP A 48 42.463 11.188 -1.279 1.00 1.50 O ATOM 792 OD2 ASP A 48 40.990 10.908 0.312 1.00 1.41 O ATOM 0 H ASP A 48 40.258 6.626 -1.561 1.00 1.15 H new ATOM 0 HA ASP A 48 42.777 8.153 -1.245 1.00 1.15 H new ATOM 0 HB2 ASP A 48 41.101 9.459 -2.543 1.00 1.24 H new ATOM 0 HB3 ASP A 48 39.926 9.228 -1.263 1.00 1.24 H new ATOM 797 N PRO A 49 42.609 8.013 1.251 1.00 1.12 N ATOM 798 CA PRO A 49 42.570 7.809 2.705 1.00 1.13 C ATOM 799 C PRO A 49 41.550 8.699 3.420 1.00 1.17 C ATOM 800 O PRO A 49 40.917 8.275 4.390 1.00 1.18 O ATOM 801 CB PRO A 49 43.989 8.150 3.165 1.00 1.22 C ATOM 802 CG PRO A 49 44.595 8.927 2.045 1.00 1.25 C ATOM 803 CD PRO A 49 43.941 8.439 0.789 1.00 1.19 C ATOM 0 HA PRO A 49 42.260 6.792 2.945 1.00 1.13 H new ATOM 0 HB2 PRO A 49 43.974 8.735 4.085 1.00 1.22 H new ATOM 0 HB3 PRO A 49 44.563 7.246 3.371 1.00 1.22 H new ATOM 0 HG2 PRO A 49 44.429 9.996 2.179 1.00 1.25 H new ATOM 0 HG3 PRO A 49 45.674 8.775 2.006 1.00 1.25 H new ATOM 0 HD2 PRO A 49 43.875 9.225 0.037 1.00 1.19 H new ATOM 0 HD3 PRO A 49 44.495 7.615 0.340 1.00 1.19 H new ATOM 811 N GLN A 50 41.382 9.923 2.939 1.00 1.23 N ATOM 812 CA GLN A 50 40.443 10.850 3.552 1.00 1.30 C ATOM 813 C GLN A 50 39.021 10.490 3.153 1.00 1.21 C ATOM 814 O GLN A 50 38.093 10.582 3.953 1.00 1.22 O ATOM 815 CB GLN A 50 40.744 12.296 3.141 1.00 1.43 C ATOM 816 CG GLN A 50 42.000 12.887 3.766 1.00 1.59 C ATOM 817 CD GLN A 50 43.280 12.252 3.255 1.00 1.77 C ATOM 818 OE1 GLN A 50 43.907 11.446 3.946 1.00 2.00 O ATOM 819 NE2 GLN A 50 43.666 12.590 2.032 1.00 1.96 N ATOM 0 H GLN A 50 41.881 10.295 2.131 1.00 1.23 H new ATOM 0 HA GLN A 50 40.550 10.771 4.634 1.00 1.30 H new ATOM 0 HB2 GLN A 50 40.840 12.338 2.056 1.00 1.43 H new ATOM 0 HB3 GLN A 50 39.892 12.921 3.410 1.00 1.43 H new ATOM 0 HG2 GLN A 50 42.028 13.958 3.565 1.00 1.59 H new ATOM 0 HG3 GLN A 50 41.950 12.767 4.848 1.00 1.59 H new ATOM 0 HE21 GLN A 50 43.120 13.261 1.492 1.00 1.96 H new ATOM 0 HE22 GLN A 50 44.509 12.179 1.631 1.00 1.96 H new ATOM 828 N ALA A 51 38.864 10.080 1.909 1.00 1.16 N ATOM 829 CA ALA A 51 37.559 9.695 1.392 1.00 1.11 C ATOM 830 C ALA A 51 37.082 8.386 2.013 1.00 1.02 C ATOM 831 O ALA A 51 35.889 8.196 2.249 1.00 1.00 O ATOM 832 CB ALA A 51 37.608 9.580 -0.121 1.00 1.15 C ATOM 0 H ALA A 51 39.625 10.004 1.234 1.00 1.16 H new ATOM 0 HA ALA A 51 36.844 10.472 1.664 1.00 1.11 H new ATOM 0 HB1 ALA A 51 36.626 9.291 -0.496 1.00 1.15 H new ATOM 0 HB2 ALA A 51 37.892 10.541 -0.550 1.00 1.15 H new ATOM 0 HB3 ALA A 51 38.341 8.825 -0.405 1.00 1.15 H new ATOM 838 N ALA A 52 38.024 7.492 2.283 1.00 1.01 N ATOM 839 CA ALA A 52 37.715 6.197 2.878 1.00 1.01 C ATOM 840 C ALA A 52 37.085 6.352 4.259 1.00 1.04 C ATOM 841 O ALA A 52 36.055 5.742 4.550 1.00 1.05 O ATOM 842 CB ALA A 52 38.972 5.347 2.963 1.00 1.07 C ATOM 0 H ALA A 52 39.016 7.641 2.098 1.00 1.01 H new ATOM 0 HA ALA A 52 36.989 5.698 2.237 1.00 1.01 H new ATOM 0 HB1 ALA A 52 38.729 4.382 3.409 1.00 1.07 H new ATOM 0 HB2 ALA A 52 39.375 5.193 1.962 1.00 1.07 H new ATOM 0 HB3 ALA A 52 39.714 5.855 3.579 1.00 1.07 H new ATOM 848 N GLU A 53 37.688 7.186 5.103 1.00 1.10 N ATOM 849 CA GLU A 53 37.161 7.408 6.449 1.00 1.20 C ATOM 850 C GLU A 53 35.800 8.101 6.384 1.00 1.18 C ATOM 851 O GLU A 53 34.951 7.908 7.258 1.00 1.23 O ATOM 852 CB GLU A 53 38.140 8.224 7.303 1.00 1.32 C ATOM 853 CG GLU A 53 38.477 9.580 6.723 1.00 1.52 C ATOM 854 CD GLU A 53 38.148 10.715 7.667 1.00 1.64 C ATOM 855 OE1 GLU A 53 36.953 10.935 7.947 1.00 1.65 O ATOM 856 OE2 GLU A 53 39.089 11.391 8.132 1.00 1.87 O ATOM 0 H GLU A 53 38.532 7.714 4.883 1.00 1.10 H new ATOM 0 HA GLU A 53 37.035 6.435 6.923 1.00 1.20 H new ATOM 0 HB2 GLU A 53 37.713 8.361 8.297 1.00 1.32 H new ATOM 0 HB3 GLU A 53 39.061 7.654 7.427 1.00 1.32 H new ATOM 0 HG2 GLU A 53 39.539 9.612 6.478 1.00 1.52 H new ATOM 0 HG3 GLU A 53 37.930 9.718 5.790 1.00 1.52 H new ATOM 863 N LYS A 54 35.590 8.893 5.336 1.00 1.14 N ATOM 864 CA LYS A 54 34.328 9.589 5.146 1.00 1.15 C ATOM 865 C LYS A 54 33.234 8.592 4.796 1.00 1.06 C ATOM 866 O LYS A 54 32.086 8.750 5.196 1.00 1.08 O ATOM 867 CB LYS A 54 34.450 10.648 4.053 1.00 1.20 C ATOM 868 CG LYS A 54 35.170 11.904 4.508 1.00 1.43 C ATOM 869 CD LYS A 54 35.722 12.688 3.330 1.00 1.56 C ATOM 870 CE LYS A 54 34.614 13.211 2.427 1.00 1.86 C ATOM 871 NZ LYS A 54 35.156 13.782 1.167 1.00 2.25 N ATOM 0 H LYS A 54 36.281 9.067 4.606 1.00 1.14 H new ATOM 0 HA LYS A 54 34.067 10.092 6.077 1.00 1.15 H new ATOM 0 HB2 LYS A 54 34.981 10.222 3.202 1.00 1.20 H new ATOM 0 HB3 LYS A 54 33.453 10.916 3.704 1.00 1.20 H new ATOM 0 HG2 LYS A 54 34.484 12.533 5.075 1.00 1.43 H new ATOM 0 HG3 LYS A 54 35.984 11.634 5.180 1.00 1.43 H new ATOM 0 HD2 LYS A 54 36.316 13.525 3.697 1.00 1.56 H new ATOM 0 HD3 LYS A 54 36.391 12.051 2.752 1.00 1.56 H new ATOM 0 HE2 LYS A 54 33.923 12.401 2.192 1.00 1.86 H new ATOM 0 HE3 LYS A 54 34.043 13.974 2.956 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 34.372 14.128 0.577 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 35.796 14.571 1.390 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 35.680 13.047 0.650 1.00 2.25 H new ATOM 885 N LEU A 55 33.602 7.549 4.066 1.00 0.98 N ATOM 886 CA LEU A 55 32.645 6.523 3.682 1.00 0.95 C ATOM 887 C LEU A 55 32.344 5.614 4.867 1.00 0.98 C ATOM 888 O LEU A 55 31.294 4.966 4.912 1.00 1.00 O ATOM 889 CB LEU A 55 33.166 5.712 2.493 1.00 0.93 C ATOM 890 CG LEU A 55 32.328 5.825 1.213 1.00 1.05 C ATOM 891 CD1 LEU A 55 30.972 5.161 1.392 1.00 1.34 C ATOM 892 CD2 LEU A 55 32.160 7.286 0.809 1.00 1.22 C ATOM 0 H LEU A 55 34.552 7.392 3.729 1.00 0.98 H new ATOM 0 HA LEU A 55 31.719 7.010 3.376 1.00 0.95 H new ATOM 0 HB2 LEU A 55 34.184 6.033 2.272 1.00 0.93 H new ATOM 0 HB3 LEU A 55 33.218 4.663 2.783 1.00 0.93 H new ATOM 0 HG LEU A 55 32.857 5.305 0.415 1.00 1.05 H new ATOM 0 HD11 LEU A 55 30.397 5.255 0.471 1.00 1.34 H new ATOM 0 HD12 LEU A 55 31.112 4.106 1.627 1.00 1.34 H new ATOM 0 HD13 LEU A 55 30.434 5.646 2.207 1.00 1.34 H new ATOM 0 HD21 LEU A 55 31.563 7.346 -0.101 1.00 1.22 H new ATOM 0 HD22 LEU A 55 31.657 7.829 1.609 1.00 1.22 H new ATOM 0 HD23 LEU A 55 33.140 7.729 0.630 1.00 1.22 H new ATOM 904 N ASN A 56 33.261 5.579 5.832 1.00 1.04 N ATOM 905 CA ASN A 56 33.068 4.760 7.029 1.00 1.14 C ATOM 906 C ASN A 56 31.924 5.324 7.865 1.00 1.19 C ATOM 907 O ASN A 56 31.022 4.597 8.283 1.00 1.25 O ATOM 908 CB ASN A 56 34.345 4.688 7.872 1.00 1.25 C ATOM 909 CG ASN A 56 34.180 3.762 9.065 1.00 1.42 C ATOM 910 OD1 ASN A 56 33.506 2.736 8.984 1.00 1.48 O ATOM 911 ND2 ASN A 56 34.786 4.117 10.181 1.00 1.57 N ATOM 0 H ASN A 56 34.136 6.102 5.811 1.00 1.04 H new ATOM 0 HA ASN A 56 32.821 3.748 6.708 1.00 1.14 H new ATOM 0 HB2 ASN A 56 35.171 4.339 7.252 1.00 1.25 H new ATOM 0 HB3 ASN A 56 34.608 5.687 8.220 1.00 1.25 H new ATOM 0 HD21 ASN A 56 34.704 3.534 11.014 1.00 1.57 H new ATOM 0 HD22 ASN A 56 35.337 4.975 10.212 1.00 1.57 H new ATOM 918 N LYS A 57 31.964 6.632 8.097 1.00 1.20 N ATOM 919 CA LYS A 57 30.919 7.308 8.861 1.00 1.28 C ATOM 920 C LYS A 57 29.617 7.336 8.062 1.00 1.22 C ATOM 921 O LYS A 57 28.529 7.318 8.634 1.00 1.27 O ATOM 922 CB LYS A 57 31.359 8.725 9.261 1.00 1.39 C ATOM 923 CG LYS A 57 31.678 9.635 8.088 1.00 1.52 C ATOM 924 CD LYS A 57 32.437 10.876 8.529 1.00 1.63 C ATOM 925 CE LYS A 57 33.866 10.545 8.937 1.00 1.74 C ATOM 926 NZ LYS A 57 34.705 11.764 9.093 1.00 1.86 N ATOM 0 H LYS A 57 32.709 7.246 7.767 1.00 1.20 H new ATOM 0 HA LYS A 57 30.744 6.749 9.780 1.00 1.28 H new ATOM 0 HB2 LYS A 57 30.570 9.183 9.857 1.00 1.39 H new ATOM 0 HB3 LYS A 57 32.239 8.653 9.900 1.00 1.39 H new ATOM 0 HG2 LYS A 57 32.270 9.088 7.354 1.00 1.52 H new ATOM 0 HG3 LYS A 57 30.752 9.931 7.595 1.00 1.52 H new ATOM 0 HD2 LYS A 57 32.449 11.603 7.717 1.00 1.63 H new ATOM 0 HD3 LYS A 57 31.918 11.342 9.366 1.00 1.63 H new ATOM 0 HE2 LYS A 57 33.855 9.992 9.876 1.00 1.74 H new ATOM 0 HE3 LYS A 57 34.314 9.892 8.188 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 35.619 11.620 8.618 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 34.218 12.578 8.666 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 34.866 11.948 10.104 1.00 1.86 H new ATOM 940 N LEU A 58 29.747 7.373 6.736 1.00 1.12 N ATOM 941 CA LEU A 58 28.596 7.396 5.838 1.00 1.10 C ATOM 942 C LEU A 58 27.721 6.162 6.051 1.00 1.08 C ATOM 943 O LEU A 58 26.513 6.272 6.272 1.00 1.11 O ATOM 944 CB LEU A 58 29.073 7.444 4.382 1.00 1.06 C ATOM 945 CG LEU A 58 28.494 8.570 3.525 1.00 1.22 C ATOM 946 CD1 LEU A 58 26.973 8.562 3.569 1.00 1.35 C ATOM 947 CD2 LEU A 58 29.044 9.919 3.971 1.00 1.39 C ATOM 0 H LEU A 58 30.648 7.388 6.258 1.00 1.12 H new ATOM 0 HA LEU A 58 28.005 8.285 6.057 1.00 1.10 H new ATOM 0 HB2 LEU A 58 30.159 7.533 4.379 1.00 1.06 H new ATOM 0 HB3 LEU A 58 28.830 6.492 3.909 1.00 1.06 H new ATOM 0 HG LEU A 58 28.798 8.402 2.492 1.00 1.22 H new ATOM 0 HD11 LEU A 58 26.587 9.373 2.951 1.00 1.35 H new ATOM 0 HD12 LEU A 58 26.603 7.609 3.190 1.00 1.35 H new ATOM 0 HD13 LEU A 58 26.638 8.698 4.597 1.00 1.35 H new ATOM 0 HD21 LEU A 58 28.621 10.708 3.349 1.00 1.39 H new ATOM 0 HD22 LEU A 58 28.776 10.095 5.013 1.00 1.39 H new ATOM 0 HD23 LEU A 58 30.129 9.921 3.870 1.00 1.39 H new ATOM 959 N ILE A 59 28.348 4.988 5.991 1.00 1.07 N ATOM 960 CA ILE A 59 27.636 3.724 6.175 1.00 1.12 C ATOM 961 C ILE A 59 27.112 3.596 7.605 1.00 1.22 C ATOM 962 O ILE A 59 26.065 2.992 7.838 1.00 1.28 O ATOM 963 CB ILE A 59 28.510 2.498 5.807 1.00 1.15 C ATOM 964 CG1 ILE A 59 27.652 1.239 5.703 1.00 1.28 C ATOM 965 CG2 ILE A 59 29.630 2.288 6.813 1.00 1.26 C ATOM 966 CD1 ILE A 59 26.709 1.238 4.517 1.00 1.39 C ATOM 0 H ILE A 59 29.348 4.886 5.816 1.00 1.07 H new ATOM 0 HA ILE A 59 26.788 3.736 5.490 1.00 1.12 H new ATOM 0 HB ILE A 59 28.964 2.698 4.837 1.00 1.15 H new ATOM 0 HG12 ILE A 59 28.306 0.369 5.636 1.00 1.28 H new ATOM 0 HG13 ILE A 59 27.070 1.131 6.618 1.00 1.28 H new ATOM 0 HG21 ILE A 59 30.222 1.420 6.523 1.00 1.26 H new ATOM 0 HG22 ILE A 59 30.268 3.171 6.836 1.00 1.26 H new ATOM 0 HG23 ILE A 59 29.204 2.122 7.802 1.00 1.26 H new ATOM 0 HD11 ILE A 59 26.134 0.312 4.510 1.00 1.39 H new ATOM 0 HD12 ILE A 59 26.030 2.087 4.592 1.00 1.39 H new ATOM 0 HD13 ILE A 59 27.285 1.314 3.594 1.00 1.39 H new ATOM 978 N GLU A 60 27.852 4.162 8.552 1.00 1.27 N ATOM 979 CA GLU A 60 27.464 4.128 9.957 1.00 1.41 C ATOM 980 C GLU A 60 26.149 4.865 10.154 1.00 1.39 C ATOM 981 O GLU A 60 25.267 4.413 10.882 1.00 1.49 O ATOM 982 CB GLU A 60 28.555 4.762 10.817 1.00 1.52 C ATOM 983 CG GLU A 60 28.434 4.429 12.290 1.00 1.73 C ATOM 984 CD GLU A 60 29.544 5.041 13.111 1.00 2.09 C ATOM 985 OE1 GLU A 60 30.616 4.415 13.227 1.00 2.61 O ATOM 986 OE2 GLU A 60 29.350 6.153 13.644 1.00 2.28 O ATOM 0 H GLU A 60 28.728 4.652 8.371 1.00 1.27 H new ATOM 0 HA GLU A 60 27.334 3.090 10.262 1.00 1.41 H new ATOM 0 HB2 GLU A 60 29.529 4.431 10.457 1.00 1.52 H new ATOM 0 HB3 GLU A 60 28.521 5.844 10.693 1.00 1.52 H new ATOM 0 HG2 GLU A 60 27.473 4.783 12.662 1.00 1.73 H new ATOM 0 HG3 GLU A 60 28.446 3.347 12.417 1.00 1.73 H new ATOM 993 N GLY A 61 26.021 6.004 9.490 1.00 1.30 N ATOM 994 CA GLY A 61 24.799 6.777 9.585 1.00 1.30 C ATOM 995 C GLY A 61 23.651 6.070 8.904 1.00 1.26 C ATOM 996 O GLY A 61 22.497 6.201 9.307 1.00 1.27 O ATOM 0 H GLY A 61 26.739 6.407 8.888 1.00 1.30 H new ATOM 0 HA2 GLY A 61 24.554 6.947 10.633 1.00 1.30 H new ATOM 0 HA3 GLY A 61 24.948 7.756 9.129 1.00 1.30 H new ATOM 1000 N TYR A 62 23.981 5.322 7.862 1.00 1.25 N ATOM 1001 CA TYR A 62 22.990 4.569 7.115 1.00 1.31 C ATOM 1002 C TYR A 62 22.440 3.405 7.944 1.00 1.43 C ATOM 1003 O TYR A 62 21.244 3.120 7.911 1.00 1.47 O ATOM 1004 CB TYR A 62 23.615 4.041 5.823 1.00 1.39 C ATOM 1005 CG TYR A 62 22.611 3.489 4.825 1.00 1.59 C ATOM 1006 CD1 TYR A 62 21.883 4.345 4.005 1.00 2.27 C ATOM 1007 CD2 TYR A 62 22.390 2.118 4.703 1.00 2.03 C ATOM 1008 CE1 TYR A 62 20.969 3.852 3.094 1.00 2.80 C ATOM 1009 CE2 TYR A 62 21.476 1.621 3.790 1.00 2.60 C ATOM 1010 CZ TYR A 62 20.768 2.491 2.993 1.00 2.80 C ATOM 1011 OH TYR A 62 19.853 2.000 2.088 1.00 3.54 O ATOM 0 H TYR A 62 24.935 5.221 7.514 1.00 1.25 H new ATOM 0 HA TYR A 62 22.160 5.234 6.876 1.00 1.31 H new ATOM 0 HB2 TYR A 62 24.176 4.846 5.349 1.00 1.39 H new ATOM 0 HB3 TYR A 62 24.330 3.257 6.073 1.00 1.39 H new ATOM 0 HD1 TYR A 62 22.035 5.412 4.082 1.00 2.27 H new ATOM 0 HD2 TYR A 62 22.941 1.433 5.331 1.00 2.03 H new ATOM 0 HE1 TYR A 62 20.414 4.530 2.463 1.00 2.80 H new ATOM 0 HE2 TYR A 62 21.319 0.556 3.704 1.00 2.60 H new ATOM 0 HH TYR A 62 19.833 1.022 2.142 1.00 3.54 H new ATOM 1021 N THR A 63 23.319 2.742 8.689 1.00 1.55 N ATOM 1022 CA THR A 63 22.923 1.606 9.508 1.00 1.74 C ATOM 1023 C THR A 63 22.069 2.052 10.696 1.00 1.68 C ATOM 1024 O THR A 63 21.061 1.419 11.021 1.00 1.81 O ATOM 1025 CB THR A 63 24.152 0.816 9.998 1.00 1.96 C ATOM 1026 OG1 THR A 63 25.213 1.714 10.335 1.00 2.00 O ATOM 1027 CG2 THR A 63 24.639 -0.142 8.927 1.00 2.37 C ATOM 0 H THR A 63 24.311 2.974 8.741 1.00 1.55 H new ATOM 0 HA THR A 63 22.321 0.947 8.882 1.00 1.74 H new ATOM 0 HB THR A 63 23.855 0.247 10.879 1.00 1.96 H new ATOM 0 HG1 THR A 63 24.837 2.575 10.615 1.00 2.00 H new ATOM 0 HG21 THR A 63 25.507 -0.689 9.295 1.00 2.37 H new ATOM 0 HG22 THR A 63 23.845 -0.846 8.680 1.00 2.37 H new ATOM 0 HG23 THR A 63 24.916 0.420 8.035 1.00 2.37 H new ATOM 1035 N TYR A 64 22.458 3.159 11.322 1.00 1.56 N ATOM 1036 CA TYR A 64 21.726 3.688 12.464 1.00 1.61 C ATOM 1037 C TYR A 64 20.740 4.765 12.017 1.00 1.32 C ATOM 1038 O TYR A 64 20.472 5.711 12.754 1.00 1.40 O ATOM 1039 CB TYR A 64 22.693 4.262 13.509 1.00 1.89 C ATOM 1040 CG TYR A 64 22.155 4.196 14.925 1.00 2.36 C ATOM 1041 CD1 TYR A 64 21.962 2.970 15.548 1.00 2.94 C ATOM 1042 CD2 TYR A 64 21.837 5.351 15.637 1.00 2.88 C ATOM 1043 CE1 TYR A 64 21.468 2.893 16.837 1.00 3.61 C ATOM 1044 CE2 TYR A 64 21.344 5.280 16.927 1.00 3.56 C ATOM 1045 CZ TYR A 64 21.162 4.052 17.522 1.00 3.79 C ATOM 1046 OH TYR A 64 20.666 3.981 18.803 1.00 4.61 O ATOM 0 H TYR A 64 23.277 3.706 11.056 1.00 1.56 H new ATOM 0 HA TYR A 64 21.169 2.869 12.918 1.00 1.61 H new ATOM 0 HB2 TYR A 64 23.635 3.716 13.460 1.00 1.89 H new ATOM 0 HB3 TYR A 64 22.912 5.300 13.259 1.00 1.89 H new ATOM 0 HD1 TYR A 64 22.202 2.061 15.016 1.00 2.94 H new ATOM 0 HD2 TYR A 64 21.978 6.317 15.174 1.00 2.88 H new ATOM 0 HE1 TYR A 64 21.322 1.931 17.306 1.00 3.61 H new ATOM 0 HE2 TYR A 64 21.103 6.184 17.466 1.00 3.56 H new ATOM 0 HH TYR A 64 20.504 4.886 19.142 1.00 4.61 H new ATOM 1056 N GLY A 65 20.225 4.631 10.797 1.00 1.16 N ATOM 1057 CA GLY A 65 19.266 5.594 10.293 1.00 1.08 C ATOM 1058 C GLY A 65 17.960 5.563 11.066 1.00 1.03 C ATOM 1059 O GLY A 65 17.160 4.634 10.917 1.00 1.02 O ATOM 0 H GLY A 65 20.455 3.875 10.152 1.00 1.16 H new ATOM 0 HA2 GLY A 65 19.695 6.594 10.349 1.00 1.08 H new ATOM 0 HA3 GLY A 65 19.068 5.390 9.241 1.00 1.08 H new ATOM 1063 N GLU A 66 17.748 6.574 11.896 1.00 1.04 N ATOM 1064 CA GLU A 66 16.530 6.675 12.691 1.00 1.03 C ATOM 1065 C GLU A 66 15.342 6.910 11.775 1.00 0.98 C ATOM 1066 O GLU A 66 14.228 6.428 12.022 1.00 0.98 O ATOM 1067 CB GLU A 66 16.646 7.826 13.687 1.00 1.10 C ATOM 1068 CG GLU A 66 17.639 7.563 14.803 1.00 1.55 C ATOM 1069 CD GLU A 66 17.044 6.734 15.925 1.00 1.48 C ATOM 1070 OE1 GLU A 66 16.247 5.817 15.641 1.00 1.73 O ATOM 1071 OE2 GLU A 66 17.363 7.006 17.102 1.00 1.79 O ATOM 0 H GLU A 66 18.406 7.340 12.038 1.00 1.04 H new ATOM 0 HA GLU A 66 16.387 5.745 13.241 1.00 1.03 H new ATOM 0 HB2 GLU A 66 16.942 8.729 13.153 1.00 1.10 H new ATOM 0 HB3 GLU A 66 15.666 8.020 14.122 1.00 1.10 H new ATOM 0 HG2 GLU A 66 18.509 7.048 14.397 1.00 1.55 H new ATOM 0 HG3 GLU A 66 17.990 8.514 15.204 1.00 1.55 H new ATOM 1078 N GLU A 67 15.597 7.653 10.712 1.00 0.98 N ATOM 1079 CA GLU A 67 14.588 7.966 9.720 1.00 0.98 C ATOM 1080 C GLU A 67 14.085 6.685 9.063 1.00 0.95 C ATOM 1081 O GLU A 67 12.884 6.510 8.853 1.00 0.93 O ATOM 1082 CB GLU A 67 15.186 8.910 8.671 1.00 1.05 C ATOM 1083 CG GLU A 67 15.844 10.141 9.279 1.00 1.33 C ATOM 1084 CD GLU A 67 17.343 9.979 9.461 1.00 1.79 C ATOM 1085 OE1 GLU A 67 17.769 9.070 10.205 1.00 2.46 O ATOM 1086 OE2 GLU A 67 18.104 10.769 8.867 1.00 2.37 O ATOM 0 H GLU A 67 16.513 8.056 10.514 1.00 0.98 H new ATOM 0 HA GLU A 67 13.743 8.458 10.201 1.00 0.98 H new ATOM 0 HB2 GLU A 67 15.923 8.366 8.080 1.00 1.05 H new ATOM 0 HB3 GLU A 67 14.399 9.227 7.986 1.00 1.05 H new ATOM 0 HG2 GLU A 67 15.651 11.003 8.640 1.00 1.33 H new ATOM 0 HG3 GLU A 67 15.386 10.352 10.245 1.00 1.33 H new ATOM 1093 N ARG A 68 15.015 5.776 8.781 1.00 0.97 N ATOM 1094 CA ARG A 68 14.690 4.500 8.156 1.00 0.99 C ATOM 1095 C ARG A 68 13.801 3.681 9.083 1.00 0.96 C ATOM 1096 O ARG A 68 12.873 3.001 8.637 1.00 0.97 O ATOM 1097 CB ARG A 68 15.975 3.727 7.833 1.00 1.06 C ATOM 1098 CG ARG A 68 15.977 3.082 6.451 1.00 1.17 C ATOM 1099 CD ARG A 68 15.740 1.578 6.530 1.00 1.27 C ATOM 1100 NE ARG A 68 14.322 1.242 6.645 1.00 1.43 N ATOM 1101 CZ ARG A 68 13.866 0.098 7.161 1.00 1.40 C ATOM 1102 NH1 ARG A 68 14.710 -0.801 7.655 1.00 1.41 N ATOM 1103 NH2 ARG A 68 12.561 -0.134 7.189 1.00 1.70 N ATOM 0 H ARG A 68 16.008 5.903 8.978 1.00 0.97 H new ATOM 0 HA ARG A 68 14.153 4.687 7.226 1.00 0.99 H new ATOM 0 HB2 ARG A 68 16.824 4.406 7.908 1.00 1.06 H new ATOM 0 HB3 ARG A 68 16.120 2.952 8.585 1.00 1.06 H new ATOM 0 HG2 ARG A 68 15.204 3.540 5.834 1.00 1.17 H new ATOM 0 HG3 ARG A 68 16.931 3.275 5.961 1.00 1.17 H new ATOM 0 HD2 ARG A 68 16.153 1.101 5.641 1.00 1.27 H new ATOM 0 HD3 ARG A 68 16.277 1.173 7.388 1.00 1.27 H new ATOM 0 HE ARG A 68 13.640 1.923 6.311 1.00 1.43 H new ATOM 0 HH11 ARG A 68 15.714 -0.620 7.642 1.00 1.41 H new ATOM 0 HH12 ARG A 68 14.354 -1.673 8.048 1.00 1.41 H new ATOM 0 HH21 ARG A 68 11.912 0.559 6.818 1.00 1.70 H new ATOM 0 HH22 ARG A 68 12.206 -1.006 7.582 1.00 1.70 H new ATOM 1117 N LYS A 69 14.084 3.777 10.377 1.00 0.95 N ATOM 1118 CA LYS A 69 13.313 3.073 11.395 1.00 0.97 C ATOM 1119 C LYS A 69 11.876 3.589 11.412 1.00 0.91 C ATOM 1120 O LYS A 69 10.928 2.824 11.579 1.00 0.92 O ATOM 1121 CB LYS A 69 13.957 3.269 12.770 1.00 1.04 C ATOM 1122 CG LYS A 69 13.796 2.081 13.704 1.00 1.31 C ATOM 1123 CD LYS A 69 14.588 2.281 14.989 1.00 1.43 C ATOM 1124 CE LYS A 69 13.934 3.312 15.898 1.00 1.48 C ATOM 1125 NZ LYS A 69 14.903 3.908 16.856 1.00 1.54 N ATOM 0 H LYS A 69 14.849 4.341 10.748 1.00 0.95 H new ATOM 0 HA LYS A 69 13.304 2.009 11.158 1.00 0.97 H new ATOM 0 HB2 LYS A 69 15.020 3.471 12.636 1.00 1.04 H new ATOM 0 HB3 LYS A 69 13.522 4.150 13.241 1.00 1.04 H new ATOM 0 HG2 LYS A 69 12.741 1.942 13.941 1.00 1.31 H new ATOM 0 HG3 LYS A 69 14.133 1.173 13.204 1.00 1.31 H new ATOM 0 HD2 LYS A 69 14.671 1.331 15.517 1.00 1.43 H new ATOM 0 HD3 LYS A 69 15.601 2.601 14.746 1.00 1.43 H new ATOM 0 HE2 LYS A 69 13.493 4.102 15.291 1.00 1.48 H new ATOM 0 HE3 LYS A 69 13.120 2.843 16.451 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 14.459 3.990 17.793 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 15.744 3.300 16.923 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 15.185 4.852 16.523 1.00 1.54 H new ATOM 1139 N LEU A 70 11.727 4.897 11.229 1.00 0.90 N ATOM 1140 CA LEU A 70 10.412 5.526 11.207 1.00 0.88 C ATOM 1141 C LEU A 70 9.626 5.072 9.982 1.00 0.85 C ATOM 1142 O LEU A 70 8.411 4.908 10.041 1.00 0.85 O ATOM 1143 CB LEU A 70 10.552 7.052 11.208 1.00 0.93 C ATOM 1144 CG LEU A 70 9.232 7.829 11.258 1.00 1.01 C ATOM 1145 CD1 LEU A 70 8.577 7.691 12.625 1.00 1.14 C ATOM 1146 CD2 LEU A 70 9.463 9.295 10.924 1.00 1.15 C ATOM 0 H LEU A 70 12.504 5.544 11.093 1.00 0.90 H new ATOM 0 HA LEU A 70 9.869 5.223 12.102 1.00 0.88 H new ATOM 0 HB2 LEU A 70 11.160 7.344 12.064 1.00 0.93 H new ATOM 0 HB3 LEU A 70 11.097 7.351 10.313 1.00 0.93 H new ATOM 0 HG LEU A 70 8.559 7.406 10.512 1.00 1.01 H new ATOM 0 HD11 LEU A 70 7.642 8.250 12.638 1.00 1.14 H new ATOM 0 HD12 LEU A 70 8.374 6.639 12.827 1.00 1.14 H new ATOM 0 HD13 LEU A 70 9.246 8.085 13.390 1.00 1.14 H new ATOM 0 HD21 LEU A 70 8.515 9.831 10.964 1.00 1.15 H new ATOM 0 HD22 LEU A 70 10.156 9.728 11.646 1.00 1.15 H new ATOM 0 HD23 LEU A 70 9.884 9.378 9.922 1.00 1.15 H new ATOM 1158 N TYR A 71 10.332 4.854 8.874 1.00 0.84 N ATOM 1159 CA TYR A 71 9.694 4.412 7.634 1.00 0.86 C ATOM 1160 C TYR A 71 9.122 3.010 7.805 1.00 0.85 C ATOM 1161 O TYR A 71 8.080 2.680 7.236 1.00 0.85 O ATOM 1162 CB TYR A 71 10.681 4.436 6.460 1.00 0.91 C ATOM 1163 CG TYR A 71 11.320 5.785 6.222 1.00 0.92 C ATOM 1164 CD1 TYR A 71 10.684 6.960 6.600 1.00 0.94 C ATOM 1165 CD2 TYR A 71 12.566 5.880 5.622 1.00 0.99 C ATOM 1166 CE1 TYR A 71 11.275 8.188 6.391 1.00 1.01 C ATOM 1167 CE2 TYR A 71 13.164 7.105 5.407 1.00 1.05 C ATOM 1168 CZ TYR A 71 12.515 8.257 5.793 1.00 1.05 C ATOM 1169 OH TYR A 71 13.107 9.480 5.579 1.00 1.16 O ATOM 0 H TYR A 71 11.343 4.976 8.809 1.00 0.84 H new ATOM 0 HA TYR A 71 8.883 5.105 7.410 1.00 0.86 H new ATOM 0 HB2 TYR A 71 11.465 3.701 6.643 1.00 0.91 H new ATOM 0 HB3 TYR A 71 10.160 4.127 5.554 1.00 0.91 H new ATOM 0 HD1 TYR A 71 9.711 6.911 7.065 1.00 0.94 H new ATOM 0 HD2 TYR A 71 13.078 4.979 5.317 1.00 0.99 H new ATOM 0 HE1 TYR A 71 10.768 9.092 6.695 1.00 1.01 H new ATOM 0 HE2 TYR A 71 14.136 7.160 4.939 1.00 1.05 H new ATOM 0 HH TYR A 71 13.978 9.351 5.149 1.00 1.16 H new ATOM 1179 N ASP A 72 9.798 2.191 8.604 1.00 0.86 N ATOM 1180 CA ASP A 72 9.337 0.829 8.862 1.00 0.90 C ATOM 1181 C ASP A 72 8.025 0.881 9.634 1.00 0.87 C ATOM 1182 O ASP A 72 7.089 0.125 9.360 1.00 0.87 O ATOM 1183 CB ASP A 72 10.376 0.050 9.666 1.00 0.98 C ATOM 1184 CG ASP A 72 10.338 -1.443 9.388 1.00 1.21 C ATOM 1185 OD1 ASP A 72 9.560 -2.163 10.048 1.00 1.47 O ATOM 1186 OD2 ASP A 72 11.100 -1.900 8.510 1.00 1.48 O ATOM 0 H ASP A 72 10.663 2.444 9.082 1.00 0.86 H new ATOM 0 HA ASP A 72 9.187 0.321 7.909 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.370 0.433 9.434 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.209 0.221 10.729 1.00 0.98 H new ATOM 1191 N SER A 73 7.958 1.801 10.592 1.00 0.85 N ATOM 1192 CA SER A 73 6.765 1.984 11.402 1.00 0.85 C ATOM 1193 C SER A 73 5.608 2.492 10.542 1.00 0.81 C ATOM 1194 O SER A 73 4.454 2.119 10.756 1.00 0.80 O ATOM 1195 CB SER A 73 7.057 2.965 12.534 1.00 0.90 C ATOM 1196 OG SER A 73 8.265 2.626 13.199 1.00 0.96 O ATOM 0 H SER A 73 8.723 2.434 10.825 1.00 0.85 H new ATOM 0 HA SER A 73 6.477 1.024 11.830 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.129 3.977 12.135 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.232 2.961 13.246 1.00 0.90 H new ATOM 0 HG SER A 73 8.433 3.269 13.919 1.00 0.96 H new ATOM 1202 N ALA A 74 5.928 3.335 9.565 1.00 0.80 N ATOM 1203 CA ALA A 74 4.923 3.887 8.664 1.00 0.79 C ATOM 1204 C ALA A 74 4.300 2.784 7.813 1.00 0.76 C ATOM 1205 O ALA A 74 3.084 2.738 7.632 1.00 0.75 O ATOM 1206 CB ALA A 74 5.538 4.963 7.782 1.00 0.82 C ATOM 0 H ALA A 74 6.879 3.651 9.377 1.00 0.80 H new ATOM 0 HA ALA A 74 4.133 4.341 9.263 1.00 0.79 H new ATOM 0 HB1 ALA A 74 4.776 5.366 7.115 1.00 0.82 H new ATOM 0 HB2 ALA A 74 5.933 5.764 8.407 1.00 0.82 H new ATOM 0 HB3 ALA A 74 6.346 4.531 7.191 1.00 0.82 H new ATOM 1212 N LEU A 75 5.139 1.884 7.308 1.00 0.77 N ATOM 1213 CA LEU A 75 4.663 0.777 6.489 1.00 0.78 C ATOM 1214 C LEU A 75 3.812 -0.170 7.329 1.00 0.77 C ATOM 1215 O LEU A 75 2.889 -0.814 6.826 1.00 0.77 O ATOM 1216 CB LEU A 75 5.844 0.026 5.863 1.00 0.83 C ATOM 1217 CG LEU A 75 5.873 0.022 4.329 1.00 0.92 C ATOM 1218 CD1 LEU A 75 4.662 -0.709 3.774 1.00 1.13 C ATOM 1219 CD2 LEU A 75 5.938 1.442 3.787 1.00 1.15 C ATOM 0 H LEU A 75 6.149 1.900 7.452 1.00 0.77 H new ATOM 0 HA LEU A 75 4.047 1.178 5.684 1.00 0.78 H new ATOM 0 HB2 LEU A 75 6.771 0.469 6.227 1.00 0.83 H new ATOM 0 HB3 LEU A 75 5.825 -1.006 6.213 1.00 0.83 H new ATOM 0 HG LEU A 75 6.770 -0.506 4.006 1.00 0.92 H new ATOM 0 HD11 LEU A 75 4.700 -0.701 2.685 1.00 1.13 H new ATOM 0 HD12 LEU A 75 4.664 -1.739 4.130 1.00 1.13 H new ATOM 0 HD13 LEU A 75 3.752 -0.211 4.109 1.00 1.13 H new ATOM 0 HD21 LEU A 75 5.958 1.415 2.698 1.00 1.15 H new ATOM 0 HD22 LEU A 75 5.063 1.999 4.120 1.00 1.15 H new ATOM 0 HD23 LEU A 75 6.840 1.931 4.154 1.00 1.15 H new ATOM 1231 N SER A 76 4.118 -0.232 8.619 1.00 0.78 N ATOM 1232 CA SER A 76 3.378 -1.079 9.539 1.00 0.80 C ATOM 1233 C SER A 76 1.947 -0.563 9.689 1.00 0.76 C ATOM 1234 O SER A 76 1.012 -1.336 9.906 1.00 0.77 O ATOM 1235 CB SER A 76 4.082 -1.118 10.896 1.00 0.85 C ATOM 1236 OG SER A 76 5.436 -1.522 10.755 1.00 0.88 O ATOM 0 H SER A 76 4.876 0.297 9.050 1.00 0.78 H new ATOM 0 HA SER A 76 3.340 -2.093 9.140 1.00 0.80 H new ATOM 0 HB2 SER A 76 4.039 -0.133 11.360 1.00 0.85 H new ATOM 0 HB3 SER A 76 3.561 -1.807 11.561 1.00 0.85 H new ATOM 0 HG SER A 76 5.936 -0.828 10.276 1.00 0.88 H new ATOM 1242 N LYS A 77 1.783 0.750 9.549 1.00 0.75 N ATOM 1243 CA LYS A 77 0.473 1.375 9.651 1.00 0.74 C ATOM 1244 C LYS A 77 -0.375 0.995 8.442 1.00 0.71 C ATOM 1245 O LYS A 77 -1.596 0.838 8.542 1.00 0.70 O ATOM 1246 CB LYS A 77 0.615 2.899 9.748 1.00 0.76 C ATOM 1247 CG LYS A 77 1.396 3.360 10.971 1.00 0.90 C ATOM 1248 CD LYS A 77 1.620 4.863 10.972 1.00 0.98 C ATOM 1249 CE LYS A 77 2.219 5.327 12.288 1.00 1.35 C ATOM 1250 NZ LYS A 77 2.614 6.757 12.250 1.00 1.61 N ATOM 0 H LYS A 77 2.546 1.401 9.364 1.00 0.75 H new ATOM 0 HA LYS A 77 -0.021 1.019 10.555 1.00 0.74 H new ATOM 0 HB2 LYS A 77 1.111 3.268 8.850 1.00 0.76 H new ATOM 0 HB3 LYS A 77 -0.378 3.348 9.771 1.00 0.76 H new ATOM 0 HG2 LYS A 77 0.857 3.073 11.874 1.00 0.90 H new ATOM 0 HG3 LYS A 77 2.359 2.850 10.999 1.00 0.90 H new ATOM 0 HD2 LYS A 77 2.284 5.135 10.151 1.00 0.98 H new ATOM 0 HD3 LYS A 77 0.673 5.375 10.800 1.00 0.98 H new ATOM 0 HE2 LYS A 77 1.496 5.173 13.089 1.00 1.35 H new ATOM 0 HE3 LYS A 77 3.091 4.717 12.524 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 3.018 7.030 13.169 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 3.323 6.901 11.503 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 1.778 7.343 12.051 1.00 1.61 H new ATOM 1264 N ILE A 78 0.286 0.846 7.297 1.00 0.71 N ATOM 1265 CA ILE A 78 -0.391 0.455 6.071 1.00 0.71 C ATOM 1266 C ILE A 78 -0.953 -0.956 6.225 1.00 0.70 C ATOM 1267 O ILE A 78 -2.104 -1.224 5.872 1.00 0.69 O ATOM 1268 CB ILE A 78 0.556 0.502 4.848 1.00 0.77 C ATOM 1269 CG1 ILE A 78 0.946 1.946 4.517 1.00 1.04 C ATOM 1270 CG2 ILE A 78 -0.091 -0.164 3.643 1.00 0.84 C ATOM 1271 CD1 ILE A 78 -0.182 2.774 3.931 1.00 1.33 C ATOM 0 H ILE A 78 1.291 0.991 7.196 1.00 0.71 H new ATOM 0 HA ILE A 78 -1.198 1.166 5.896 1.00 0.71 H new ATOM 0 HB ILE A 78 1.463 -0.048 5.100 1.00 0.77 H new ATOM 0 HG12 ILE A 78 1.305 2.431 5.425 1.00 1.04 H new ATOM 0 HG13 ILE A 78 1.777 1.934 3.812 1.00 1.04 H new ATOM 0 HG21 ILE A 78 0.591 -0.121 2.794 1.00 0.84 H new ATOM 0 HG22 ILE A 78 -0.312 -1.205 3.878 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -1.016 0.356 3.393 1.00 0.84 H new ATOM 0 HD11 ILE A 78 0.176 3.783 3.725 1.00 1.33 H new ATOM 0 HD12 ILE A 78 -0.527 2.315 3.004 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -1.007 2.820 4.642 1.00 1.33 H new ATOM 1283 N GLU A 79 -0.134 -1.842 6.780 1.00 0.72 N ATOM 1284 CA GLU A 79 -0.534 -3.226 7.005 1.00 0.74 C ATOM 1285 C GLU A 79 -1.757 -3.283 7.915 1.00 0.73 C ATOM 1286 O GLU A 79 -2.665 -4.089 7.702 1.00 0.74 O ATOM 1287 CB GLU A 79 0.621 -4.029 7.614 1.00 0.79 C ATOM 1288 CG GLU A 79 0.228 -5.447 8.011 1.00 1.00 C ATOM 1289 CD GLU A 79 1.380 -6.246 8.581 1.00 1.32 C ATOM 1290 OE1 GLU A 79 2.251 -5.655 9.253 1.00 1.95 O ATOM 1291 OE2 GLU A 79 1.418 -7.477 8.367 1.00 1.93 O ATOM 0 H GLU A 79 0.815 -1.625 7.084 1.00 0.72 H new ATOM 0 HA GLU A 79 -0.793 -3.670 6.044 1.00 0.74 H new ATOM 0 HB2 GLU A 79 1.440 -4.074 6.897 1.00 0.79 H new ATOM 0 HB3 GLU A 79 0.995 -3.504 8.493 1.00 0.79 H new ATOM 0 HG2 GLU A 79 -0.574 -5.402 8.747 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -0.169 -5.965 7.138 1.00 1.00 H new ATOM 1298 N LYS A 80 -1.783 -2.408 8.915 1.00 0.72 N ATOM 1299 CA LYS A 80 -2.902 -2.348 9.844 1.00 0.73 C ATOM 1300 C LYS A 80 -4.182 -1.989 9.106 1.00 0.72 C ATOM 1301 O LYS A 80 -5.250 -2.510 9.414 1.00 0.75 O ATOM 1302 CB LYS A 80 -2.633 -1.327 10.950 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.635 -1.813 11.992 1.00 0.81 C ATOM 1304 CD LYS A 80 -1.493 -0.828 13.140 1.00 0.96 C ATOM 1305 CE LYS A 80 -2.747 -0.762 13.993 1.00 1.35 C ATOM 1306 NZ LYS A 80 -2.986 -2.022 14.747 1.00 1.71 N ATOM 0 H LYS A 80 -1.042 -1.732 9.101 1.00 0.72 H new ATOM 0 HA LYS A 80 -3.019 -3.331 10.300 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -2.259 -0.407 10.501 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.573 -1.082 11.444 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -1.956 -2.780 12.380 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.664 -1.965 11.522 1.00 0.81 H new ATOM 0 HD2 LYS A 80 -0.646 -1.117 13.763 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -1.273 0.163 12.742 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -2.663 0.068 14.695 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -3.606 -0.554 13.356 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -3.737 -1.869 15.450 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -3.277 -2.772 14.087 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 -2.111 -2.308 15.232 1.00 1.71 H new ATOM 1320 N LEU A 81 -4.070 -1.106 8.121 1.00 0.69 N ATOM 1321 CA LEU A 81 -5.223 -0.701 7.333 1.00 0.71 C ATOM 1322 C LEU A 81 -5.730 -1.878 6.508 1.00 0.72 C ATOM 1323 O LEU A 81 -6.938 -2.068 6.356 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.871 0.480 6.426 1.00 0.71 C ATOM 1325 CG LEU A 81 -5.839 1.663 6.499 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -7.262 1.217 6.198 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -5.770 2.329 7.866 1.00 0.94 C ATOM 0 H LEU A 81 -3.194 -0.659 7.851 1.00 0.69 H new ATOM 0 HA LEU A 81 -6.014 -0.381 8.011 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.872 0.831 6.684 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -4.829 0.127 5.395 1.00 0.71 H new ATOM 0 HG LEU A 81 -5.541 2.390 5.744 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -7.932 2.075 6.256 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -7.305 0.790 5.196 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -7.570 0.466 6.926 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -6.466 3.168 7.898 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -6.038 1.606 8.637 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -4.757 2.691 8.044 1.00 0.94 H new ATOM 1339 N ILE A 82 -4.794 -2.673 5.995 1.00 0.72 N ATOM 1340 CA ILE A 82 -5.137 -3.846 5.199 1.00 0.76 C ATOM 1341 C ILE A 82 -5.940 -4.828 6.052 1.00 0.80 C ATOM 1342 O ILE A 82 -6.944 -5.382 5.603 1.00 0.84 O ATOM 1343 CB ILE A 82 -3.877 -4.545 4.628 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -2.954 -3.511 3.964 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -4.276 -5.634 3.638 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -1.783 -4.105 3.202 1.00 0.77 C ATOM 0 H ILE A 82 -3.792 -2.525 6.117 1.00 0.72 H new ATOM 0 HA ILE A 82 -5.738 -3.513 4.353 1.00 0.76 H new ATOM 0 HB ILE A 82 -3.333 -5.015 5.447 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -3.545 -2.903 3.279 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -2.568 -2.842 4.733 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -3.380 -6.115 3.246 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -4.895 -6.376 4.143 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -4.839 -5.190 2.816 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.187 -3.302 2.767 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.164 -4.689 3.883 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.156 -4.751 2.407 1.00 0.77 H new ATOM 1358 N GLU A 83 -5.503 -5.011 7.296 1.00 0.80 N ATOM 1359 CA GLU A 83 -6.181 -5.903 8.235 1.00 0.86 C ATOM 1360 C GLU A 83 -7.548 -5.336 8.619 1.00 0.85 C ATOM 1361 O GLU A 83 -8.493 -6.077 8.892 1.00 0.90 O ATOM 1362 CB GLU A 83 -5.324 -6.096 9.491 1.00 0.90 C ATOM 1363 CG GLU A 83 -5.890 -7.119 10.465 1.00 1.24 C ATOM 1364 CD GLU A 83 -5.754 -6.684 11.908 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -6.209 -5.566 12.245 1.00 2.18 O ATOM 1366 OE2 GLU A 83 -5.196 -7.454 12.718 1.00 2.36 O ATOM 0 H GLU A 83 -4.677 -4.551 7.679 1.00 0.80 H new ATOM 0 HA GLU A 83 -6.327 -6.869 7.751 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -4.323 -6.406 9.193 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -5.222 -5.138 10.002 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -6.943 -7.288 10.238 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -5.377 -8.071 10.326 1.00 1.24 H new ATOM 1373 N THR A 84 -7.645 -4.011 8.627 1.00 0.82 N ATOM 1374 CA THR A 84 -8.884 -3.325 8.971 1.00 0.84 C ATOM 1375 C THR A 84 -9.959 -3.589 7.915 1.00 0.89 C ATOM 1376 O THR A 84 -11.154 -3.466 8.181 1.00 0.92 O ATOM 1377 CB THR A 84 -8.641 -1.805 9.117 1.00 0.83 C ATOM 1378 OG1 THR A 84 -7.594 -1.572 10.072 1.00 0.84 O ATOM 1379 CG2 THR A 84 -9.898 -1.073 9.568 1.00 0.85 C ATOM 0 H THR A 84 -6.872 -3.386 8.397 1.00 0.82 H new ATOM 0 HA THR A 84 -9.234 -3.715 9.927 1.00 0.84 H new ATOM 0 HB THR A 84 -8.355 -1.421 8.138 1.00 0.83 H new ATOM 0 HG1 THR A 84 -6.741 -1.888 9.706 1.00 0.84 H new ATOM 0 HG21 THR A 84 -9.686 -0.008 9.659 1.00 0.85 H new ATOM 0 HG22 THR A 84 -10.690 -1.224 8.834 1.00 0.85 H new ATOM 0 HG23 THR A 84 -10.219 -1.463 10.534 1.00 0.85 H new ATOM 1387 N LEU A 85 -9.527 -3.994 6.725 1.00 0.93 N ATOM 1388 CA LEU A 85 -10.446 -4.279 5.629 1.00 1.01 C ATOM 1389 C LEU A 85 -11.047 -5.677 5.763 1.00 1.08 C ATOM 1390 O LEU A 85 -11.812 -6.120 4.904 1.00 1.17 O ATOM 1391 CB LEU A 85 -9.727 -4.148 4.284 1.00 1.04 C ATOM 1392 CG LEU A 85 -9.300 -2.729 3.908 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -8.377 -2.752 2.701 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -10.517 -1.858 3.634 1.00 1.13 C ATOM 0 H LEU A 85 -8.543 -4.133 6.495 1.00 0.93 H new ATOM 0 HA LEU A 85 -11.256 -3.551 5.674 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -8.842 -4.784 4.300 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -10.381 -4.532 3.502 1.00 1.04 H new ATOM 0 HG LEU A 85 -8.755 -2.301 4.749 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -8.083 -1.733 2.448 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -7.488 -3.339 2.934 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -8.896 -3.201 1.854 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -10.192 -0.852 3.368 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -11.091 -2.283 2.811 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -11.141 -1.814 4.527 1.00 1.13 H new ATOM 1406 N SER A 86 -10.690 -6.371 6.833 1.00 1.18 N ATOM 1407 CA SER A 86 -11.193 -7.714 7.080 1.00 1.31 C ATOM 1408 C SER A 86 -12.045 -7.737 8.355 1.00 1.73 C ATOM 1409 O SER A 86 -11.658 -7.162 9.372 1.00 2.31 O ATOM 1410 CB SER A 86 -10.022 -8.694 7.190 1.00 1.71 C ATOM 1411 OG SER A 86 -9.041 -8.415 6.203 1.00 1.97 O ATOM 0 H SER A 86 -10.050 -6.024 7.548 1.00 1.18 H new ATOM 0 HA SER A 86 -11.824 -8.019 6.245 1.00 1.31 H new ATOM 0 HB2 SER A 86 -9.576 -8.626 8.182 1.00 1.71 H new ATOM 0 HB3 SER A 86 -10.384 -9.715 7.072 1.00 1.71 H new ATOM 0 HG SER A 86 -8.300 -9.050 6.290 1.00 1.97 H new ATOM 1914 N LYS B 10 16.140 12.805 2.091 1.00 1.52 N ATOM 1915 CA LYS B 10 15.518 12.227 3.281 1.00 1.44 C ATOM 1916 C LYS B 10 14.127 12.803 3.513 1.00 1.38 C ATOM 1917 O LYS B 10 13.171 12.056 3.701 1.00 1.32 O ATOM 1918 CB LYS B 10 16.380 12.490 4.518 1.00 1.48 C ATOM 1919 CG LYS B 10 16.811 11.234 5.255 1.00 1.54 C ATOM 1920 CD LYS B 10 18.034 10.609 4.609 1.00 1.71 C ATOM 1921 CE LYS B 10 18.950 9.973 5.642 1.00 2.08 C ATOM 1922 NZ LYS B 10 19.417 10.968 6.646 1.00 2.41 N ATOM 0 HA LYS B 10 15.432 11.153 3.115 1.00 1.44 H new ATOM 0 HB2 LYS B 10 17.269 13.044 4.216 1.00 1.48 H new ATOM 0 HB3 LYS B 10 15.825 13.128 5.205 1.00 1.48 H new ATOM 0 HG2 LYS B 10 17.030 11.477 6.295 1.00 1.54 H new ATOM 0 HG3 LYS B 10 15.992 10.514 5.261 1.00 1.54 H new ATOM 0 HD2 LYS B 10 17.720 9.855 3.888 1.00 1.71 H new ATOM 0 HD3 LYS B 10 18.583 11.371 4.055 1.00 1.71 H new ATOM 0 HE2 LYS B 10 18.423 9.164 6.148 1.00 2.08 H new ATOM 0 HE3 LYS B 10 19.810 9.528 5.142 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 20.441 10.860 6.791 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 19.215 11.929 6.303 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 18.921 10.811 7.547 1.00 2.41 H new ATOM 1936 N GLU B 11 14.033 14.134 3.470 1.00 1.42 N ATOM 1937 CA GLU B 11 12.770 14.838 3.682 1.00 1.39 C ATOM 1938 C GLU B 11 11.753 14.476 2.599 1.00 1.36 C ATOM 1939 O GLU B 11 10.551 14.422 2.857 1.00 1.30 O ATOM 1940 CB GLU B 11 13.001 16.354 3.702 1.00 1.47 C ATOM 1941 CG GLU B 11 11.796 17.153 4.177 1.00 1.48 C ATOM 1942 CD GLU B 11 11.399 18.233 3.196 1.00 1.62 C ATOM 1943 OE1 GLU B 11 12.114 19.251 3.107 1.00 1.72 O ATOM 1944 OE2 GLU B 11 10.379 18.071 2.501 1.00 1.90 O ATOM 0 H GLU B 11 14.826 14.749 3.288 1.00 1.42 H new ATOM 0 HA GLU B 11 12.368 14.528 4.647 1.00 1.39 H new ATOM 0 HB2 GLU B 11 13.849 16.574 4.350 1.00 1.47 H new ATOM 0 HB3 GLU B 11 13.272 16.684 2.699 1.00 1.47 H new ATOM 0 HG2 GLU B 11 10.954 16.478 4.331 1.00 1.48 H new ATOM 0 HG3 GLU B 11 12.022 17.607 5.142 1.00 1.48 H new ATOM 1951 N LEU B 12 12.251 14.205 1.395 1.00 1.43 N ATOM 1952 CA LEU B 12 11.394 13.863 0.269 1.00 1.45 C ATOM 1953 C LEU B 12 10.580 12.609 0.565 1.00 1.36 C ATOM 1954 O LEU B 12 9.355 12.673 0.646 1.00 1.32 O ATOM 1955 CB LEU B 12 12.237 13.650 -0.992 1.00 1.57 C ATOM 1956 CG LEU B 12 11.444 13.375 -2.270 1.00 1.73 C ATOM 1957 CD1 LEU B 12 10.753 14.637 -2.752 1.00 1.89 C ATOM 1958 CD2 LEU B 12 12.358 12.816 -3.351 1.00 1.89 C ATOM 0 H LEU B 12 13.247 14.216 1.176 1.00 1.43 H new ATOM 0 HA LEU B 12 10.705 14.691 0.104 1.00 1.45 H new ATOM 0 HB2 LEU B 12 12.854 14.535 -1.150 1.00 1.57 H new ATOM 0 HB3 LEU B 12 12.916 12.815 -0.819 1.00 1.57 H new ATOM 0 HG LEU B 12 10.678 12.632 -2.048 1.00 1.73 H new ATOM 0 HD11 LEU B 12 10.194 14.421 -3.662 1.00 1.89 H new ATOM 0 HD12 LEU B 12 10.069 14.994 -1.982 1.00 1.89 H new ATOM 0 HD13 LEU B 12 11.499 15.404 -2.958 1.00 1.89 H new ATOM 0 HD21 LEU B 12 11.779 12.625 -4.254 1.00 1.89 H new ATOM 0 HD22 LEU B 12 13.146 13.537 -3.570 1.00 1.89 H new ATOM 0 HD23 LEU B 12 12.805 11.885 -3.004 1.00 1.89 H new ATOM 1970 N LEU B 13 11.260 11.479 0.774 1.00 1.35 N ATOM 1971 CA LEU B 13 10.564 10.222 1.057 1.00 1.30 C ATOM 1972 C LEU B 13 9.881 10.274 2.421 1.00 1.18 C ATOM 1973 O LEU B 13 8.850 9.633 2.629 1.00 1.15 O ATOM 1974 CB LEU B 13 11.510 9.008 0.980 1.00 1.35 C ATOM 1975 CG LEU B 13 12.995 9.299 1.191 1.00 1.32 C ATOM 1976 CD1 LEU B 13 13.591 8.300 2.165 1.00 1.48 C ATOM 1977 CD2 LEU B 13 13.740 9.247 -0.134 1.00 1.50 C ATOM 0 H LEU B 13 12.277 11.408 0.753 1.00 1.35 H new ATOM 0 HA LEU B 13 9.803 10.098 0.286 1.00 1.30 H new ATOM 0 HB2 LEU B 13 11.194 8.279 1.726 1.00 1.35 H new ATOM 0 HB3 LEU B 13 11.388 8.539 0.004 1.00 1.35 H new ATOM 0 HG LEU B 13 13.096 10.301 1.608 1.00 1.32 H new ATOM 0 HD11 LEU B 13 14.650 8.518 2.307 1.00 1.48 H new ATOM 0 HD12 LEU B 13 13.074 8.372 3.122 1.00 1.48 H new ATOM 0 HD13 LEU B 13 13.478 7.292 1.767 1.00 1.48 H new ATOM 0 HD21 LEU B 13 14.796 9.457 0.034 1.00 1.50 H new ATOM 0 HD22 LEU B 13 13.632 8.255 -0.573 1.00 1.50 H new ATOM 0 HD23 LEU B 13 13.326 9.992 -0.814 1.00 1.50 H new ATOM 1989 N LEU B 14 10.452 11.046 3.341 1.00 1.15 N ATOM 1990 CA LEU B 14 9.894 11.194 4.682 1.00 1.07 C ATOM 1991 C LEU B 14 8.458 11.688 4.614 1.00 1.07 C ATOM 1992 O LEU B 14 7.550 11.084 5.189 1.00 1.02 O ATOM 1993 CB LEU B 14 10.734 12.186 5.496 1.00 1.08 C ATOM 1994 CG LEU B 14 10.144 12.600 6.847 1.00 1.04 C ATOM 1995 CD1 LEU B 14 10.296 11.491 7.875 1.00 1.06 C ATOM 1996 CD2 LEU B 14 10.796 13.884 7.345 1.00 1.14 C ATOM 0 H LEU B 14 11.305 11.581 3.181 1.00 1.15 H new ATOM 0 HA LEU B 14 9.911 10.218 5.167 1.00 1.07 H new ATOM 0 HB2 LEU B 14 11.717 11.747 5.668 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.887 13.083 4.896 1.00 1.08 H new ATOM 0 HG LEU B 14 9.079 12.784 6.706 1.00 1.04 H new ATOM 0 HD11 LEU B 14 9.868 11.814 8.824 1.00 1.06 H new ATOM 0 HD12 LEU B 14 9.776 10.599 7.527 1.00 1.06 H new ATOM 0 HD13 LEU B 14 11.353 11.264 8.012 1.00 1.06 H new ATOM 0 HD21 LEU B 14 10.364 14.162 8.306 1.00 1.14 H new ATOM 0 HD22 LEU B 14 11.868 13.726 7.461 1.00 1.14 H new ATOM 0 HD23 LEU B 14 10.623 14.683 6.624 1.00 1.14 H new ATOM 2008 N LYS B 15 8.251 12.778 3.896 1.00 1.15 N ATOM 2009 CA LYS B 15 6.927 13.361 3.773 1.00 1.18 C ATOM 2010 C LYS B 15 6.067 12.615 2.759 1.00 1.13 C ATOM 2011 O LYS B 15 4.844 12.653 2.842 1.00 1.11 O ATOM 2012 CB LYS B 15 7.031 14.836 3.412 1.00 1.32 C ATOM 2013 CG LYS B 15 7.050 15.753 4.630 1.00 1.46 C ATOM 2014 CD LYS B 15 7.806 17.042 4.356 1.00 1.55 C ATOM 2015 CE LYS B 15 7.237 17.782 3.160 1.00 1.76 C ATOM 2016 NZ LYS B 15 7.941 19.068 2.930 1.00 1.80 N ATOM 0 H LYS B 15 8.983 13.277 3.390 1.00 1.15 H new ATOM 0 HA LYS B 15 6.434 13.268 4.741 1.00 1.18 H new ATOM 0 HB2 LYS B 15 7.938 14.998 2.829 1.00 1.32 H new ATOM 0 HB3 LYS B 15 6.190 15.107 2.774 1.00 1.32 H new ATOM 0 HG2 LYS B 15 6.027 15.987 4.924 1.00 1.46 H new ATOM 0 HG3 LYS B 15 7.512 15.233 5.469 1.00 1.46 H new ATOM 0 HD2 LYS B 15 7.762 17.684 5.236 1.00 1.55 H new ATOM 0 HD3 LYS B 15 8.857 16.817 4.178 1.00 1.55 H new ATOM 0 HE2 LYS B 15 7.320 17.157 2.271 1.00 1.76 H new ATOM 0 HE3 LYS B 15 6.175 17.971 3.319 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 7.753 19.398 1.962 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 7.600 19.777 3.610 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 8.964 18.931 3.057 1.00 1.80 H new ATOM 2030 N LYS B 16 6.691 11.939 1.800 1.00 1.14 N ATOM 2031 CA LYS B 16 5.928 11.183 0.808 1.00 1.14 C ATOM 2032 C LYS B 16 5.213 10.007 1.471 1.00 1.03 C ATOM 2033 O LYS B 16 4.030 9.765 1.227 1.00 1.01 O ATOM 2034 CB LYS B 16 6.827 10.661 -0.323 1.00 1.22 C ATOM 2035 CG LYS B 16 7.349 11.735 -1.276 1.00 1.31 C ATOM 2036 CD LYS B 16 6.245 12.643 -1.803 1.00 1.30 C ATOM 2037 CE LYS B 16 5.196 11.868 -2.590 1.00 1.45 C ATOM 2038 NZ LYS B 16 4.074 12.740 -3.026 1.00 1.65 N ATOM 0 H LYS B 16 7.704 11.897 1.687 1.00 1.14 H new ATOM 0 HA LYS B 16 5.194 11.863 0.376 1.00 1.14 H new ATOM 0 HB2 LYS B 16 7.678 10.143 0.119 1.00 1.22 H new ATOM 0 HB3 LYS B 16 6.269 9.924 -0.900 1.00 1.22 H new ATOM 0 HG2 LYS B 16 8.096 12.340 -0.761 1.00 1.31 H new ATOM 0 HG3 LYS B 16 7.851 11.256 -2.116 1.00 1.31 H new ATOM 0 HD2 LYS B 16 5.767 13.155 -0.968 1.00 1.30 H new ATOM 0 HD3 LYS B 16 6.681 13.412 -2.440 1.00 1.30 H new ATOM 0 HE2 LYS B 16 5.661 11.411 -3.463 1.00 1.45 H new ATOM 0 HE3 LYS B 16 4.807 11.056 -1.975 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 3.382 12.175 -3.558 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 3.613 13.156 -2.192 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 4.441 13.500 -3.634 1.00 1.65 H new ATOM 2052 N ILE B 17 5.933 9.302 2.336 1.00 0.98 N ATOM 2053 CA ILE B 17 5.386 8.142 3.032 1.00 0.92 C ATOM 2054 C ILE B 17 4.511 8.562 4.223 1.00 0.89 C ATOM 2055 O ILE B 17 3.528 7.894 4.549 1.00 0.86 O ATOM 2056 CB ILE B 17 6.528 7.197 3.483 1.00 0.94 C ATOM 2057 CG1 ILE B 17 7.354 6.781 2.261 1.00 1.00 C ATOM 2058 CG2 ILE B 17 5.970 5.968 4.191 1.00 1.00 C ATOM 2059 CD1 ILE B 17 8.684 6.142 2.594 1.00 0.96 C ATOM 0 H ILE B 17 6.902 9.515 2.573 1.00 0.98 H new ATOM 0 HA ILE B 17 4.745 7.601 2.336 1.00 0.92 H new ATOM 0 HB ILE B 17 7.167 7.727 4.190 1.00 0.94 H new ATOM 0 HG12 ILE B 17 6.769 6.083 1.663 1.00 1.00 H new ATOM 0 HG13 ILE B 17 7.532 7.660 1.642 1.00 1.00 H new ATOM 0 HG21 ILE B 17 6.791 5.320 4.498 1.00 1.00 H new ATOM 0 HG22 ILE B 17 5.406 6.279 5.070 1.00 1.00 H new ATOM 0 HG23 ILE B 17 5.313 5.424 3.512 1.00 1.00 H new ATOM 0 HD11 ILE B 17 9.202 5.879 1.672 1.00 0.96 H new ATOM 0 HD12 ILE B 17 9.292 6.844 3.165 1.00 0.96 H new ATOM 0 HD13 ILE B 17 8.517 5.242 3.186 1.00 0.96 H new ATOM 2071 N ASP B 18 4.851 9.684 4.851 1.00 0.94 N ATOM 2072 CA ASP B 18 4.075 10.190 5.988 1.00 0.99 C ATOM 2073 C ASP B 18 2.663 10.589 5.548 1.00 0.96 C ATOM 2074 O ASP B 18 1.670 10.282 6.210 1.00 0.94 O ATOM 2075 CB ASP B 18 4.790 11.379 6.626 1.00 1.14 C ATOM 2076 CG ASP B 18 4.052 11.947 7.826 1.00 1.29 C ATOM 2077 OD1 ASP B 18 3.529 11.157 8.642 1.00 1.88 O ATOM 2078 OD2 ASP B 18 4.016 13.186 7.972 1.00 1.59 O ATOM 0 H ASP B 18 5.653 10.260 4.597 1.00 0.94 H new ATOM 0 HA ASP B 18 3.988 9.394 6.727 1.00 0.99 H new ATOM 0 HB2 ASP B 18 5.789 11.071 6.934 1.00 1.14 H new ATOM 0 HB3 ASP B 18 4.914 12.163 5.879 1.00 1.14 H new ATOM 2083 N SER B 19 2.583 11.275 4.421 1.00 0.98 N ATOM 2084 CA SER B 19 1.308 11.701 3.870 1.00 0.99 C ATOM 2085 C SER B 19 0.567 10.508 3.273 1.00 0.91 C ATOM 2086 O SER B 19 -0.664 10.496 3.203 1.00 0.90 O ATOM 2087 CB SER B 19 1.524 12.772 2.813 1.00 1.10 C ATOM 2088 OG SER B 19 2.231 13.883 3.349 1.00 1.21 O ATOM 0 H SER B 19 3.393 11.551 3.866 1.00 0.98 H new ATOM 0 HA SER B 19 0.702 12.121 4.673 1.00 0.99 H new ATOM 0 HB2 SER B 19 2.080 12.353 1.974 1.00 1.10 H new ATOM 0 HB3 SER B 19 0.561 13.103 2.424 1.00 1.10 H new ATOM 0 HG SER B 19 3.195 13.714 3.296 1.00 1.21 H new ATOM 2094 N LEU B 20 1.341 9.528 2.824 1.00 0.87 N ATOM 2095 CA LEU B 20 0.808 8.309 2.236 1.00 0.84 C ATOM 2096 C LEU B 20 -0.166 7.636 3.196 1.00 0.80 C ATOM 2097 O LEU B 20 -1.301 7.323 2.835 1.00 0.79 O ATOM 2098 CB LEU B 20 1.970 7.375 1.922 1.00 0.86 C ATOM 2099 CG LEU B 20 1.803 6.479 0.706 1.00 0.91 C ATOM 2100 CD1 LEU B 20 2.049 7.266 -0.573 1.00 1.07 C ATOM 2101 CD2 LEU B 20 2.758 5.309 0.819 1.00 1.35 C ATOM 0 H LEU B 20 2.360 9.558 2.858 1.00 0.87 H new ATOM 0 HA LEU B 20 0.266 8.548 1.321 1.00 0.84 H new ATOM 0 HB2 LEU B 20 2.866 7.979 1.782 1.00 0.86 H new ATOM 0 HB3 LEU B 20 2.145 6.742 2.792 1.00 0.86 H new ATOM 0 HG LEU B 20 0.782 6.101 0.667 1.00 0.91 H new ATOM 0 HD11 LEU B 20 1.925 6.609 -1.434 1.00 1.07 H new ATOM 0 HD12 LEU B 20 1.335 8.087 -0.638 1.00 1.07 H new ATOM 0 HD13 LEU B 20 3.063 7.666 -0.565 1.00 1.07 H new ATOM 0 HD21 LEU B 20 2.644 4.661 -0.050 1.00 1.35 H new ATOM 0 HD22 LEU B 20 3.782 5.679 0.864 1.00 1.35 H new ATOM 0 HD23 LEU B 20 2.536 4.744 1.724 1.00 1.35 H new ATOM 2113 N ILE B 21 0.278 7.441 4.433 1.00 0.81 N ATOM 2114 CA ILE B 21 -0.558 6.807 5.447 1.00 0.82 C ATOM 2115 C ILE B 21 -1.726 7.707 5.847 1.00 0.81 C ATOM 2116 O ILE B 21 -2.781 7.219 6.249 1.00 0.81 O ATOM 2117 CB ILE B 21 0.249 6.405 6.698 1.00 0.88 C ATOM 2118 CG1 ILE B 21 1.284 7.473 7.041 1.00 1.19 C ATOM 2119 CG2 ILE B 21 0.925 5.062 6.472 1.00 1.21 C ATOM 2120 CD1 ILE B 21 2.176 7.118 8.209 1.00 1.38 C ATOM 0 H ILE B 21 1.207 7.711 4.757 1.00 0.81 H new ATOM 0 HA ILE B 21 -0.954 5.897 4.996 1.00 0.82 H new ATOM 0 HB ILE B 21 -0.438 6.317 7.540 1.00 0.88 H new ATOM 0 HG12 ILE B 21 1.906 7.655 6.165 1.00 1.19 H new ATOM 0 HG13 ILE B 21 0.767 8.406 7.264 1.00 1.19 H new ATOM 0 HG21 ILE B 21 1.493 4.786 7.361 1.00 1.21 H new ATOM 0 HG22 ILE B 21 0.168 4.303 6.274 1.00 1.21 H new ATOM 0 HG23 ILE B 21 1.599 5.133 5.618 1.00 1.21 H new ATOM 0 HD11 ILE B 21 2.882 7.929 8.387 1.00 1.38 H new ATOM 0 HD12 ILE B 21 1.566 6.966 9.100 1.00 1.38 H new ATOM 0 HD13 ILE B 21 2.724 6.203 7.984 1.00 1.38 H new ATOM 2132 N GLU B 22 -1.540 9.018 5.724 1.00 0.83 N ATOM 2133 CA GLU B 22 -2.595 9.975 6.060 1.00 0.86 C ATOM 2134 C GLU B 22 -3.781 9.827 5.118 1.00 0.83 C ATOM 2135 O GLU B 22 -4.927 9.714 5.559 1.00 0.84 O ATOM 2136 CB GLU B 22 -2.083 11.412 5.979 1.00 0.94 C ATOM 2137 CG GLU B 22 -1.122 11.800 7.086 1.00 1.11 C ATOM 2138 CD GLU B 22 -0.696 13.245 6.984 1.00 1.55 C ATOM 2139 OE1 GLU B 22 0.076 13.578 6.061 1.00 1.98 O ATOM 2140 OE2 GLU B 22 -1.144 14.063 7.812 1.00 1.95 O ATOM 0 H GLU B 22 -0.673 9.443 5.396 1.00 0.83 H new ATOM 0 HA GLU B 22 -2.909 9.760 7.082 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -1.588 11.554 5.019 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -2.936 12.090 6.001 1.00 0.94 H new ATOM 0 HG2 GLU B 22 -1.595 11.629 8.053 1.00 1.11 H new ATOM 0 HG3 GLU B 22 -0.242 11.159 7.043 1.00 1.11 H new ATOM 2147 N ALA B 23 -3.497 9.830 3.816 1.00 0.82 N ATOM 2148 CA ALA B 23 -4.535 9.700 2.801 1.00 0.83 C ATOM 2149 C ALA B 23 -5.283 8.382 2.954 1.00 0.79 C ATOM 2150 O ALA B 23 -6.515 8.341 2.905 1.00 0.80 O ATOM 2151 CB ALA B 23 -3.926 9.805 1.408 1.00 0.86 C ATOM 0 H ALA B 23 -2.553 9.921 3.441 1.00 0.82 H new ATOM 0 HA ALA B 23 -5.248 10.513 2.936 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -4.712 9.706 0.659 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -3.438 10.773 1.296 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -3.192 9.011 1.271 1.00 0.86 H new ATOM 2157 N ILE B 24 -4.532 7.311 3.160 1.00 0.78 N ATOM 2158 CA ILE B 24 -5.115 5.987 3.322 1.00 0.78 C ATOM 2159 C ILE B 24 -5.953 5.912 4.605 1.00 0.74 C ATOM 2160 O ILE B 24 -7.016 5.280 4.634 1.00 0.74 O ATOM 2161 CB ILE B 24 -4.010 4.895 3.301 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -3.816 4.366 1.871 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -4.337 3.748 4.243 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -3.187 5.360 0.915 1.00 0.89 C ATOM 0 H ILE B 24 -3.514 7.333 3.219 1.00 0.78 H new ATOM 0 HA ILE B 24 -5.783 5.801 2.481 1.00 0.78 H new ATOM 0 HB ILE B 24 -3.083 5.354 3.645 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -3.193 3.473 1.909 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -4.785 4.062 1.475 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -3.541 3.004 4.201 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -4.426 4.127 5.261 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -5.279 3.289 3.944 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -3.087 4.904 -0.070 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -3.819 6.245 0.843 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -2.202 5.646 1.284 1.00 0.89 H new ATOM 2176 N LYS B 25 -5.487 6.590 5.653 1.00 0.74 N ATOM 2177 CA LYS B 25 -6.188 6.618 6.932 1.00 0.75 C ATOM 2178 C LYS B 25 -7.545 7.293 6.772 1.00 0.78 C ATOM 2179 O LYS B 25 -8.529 6.905 7.402 1.00 0.80 O ATOM 2180 CB LYS B 25 -5.357 7.363 7.983 1.00 0.79 C ATOM 2181 CG LYS B 25 -5.767 7.064 9.418 1.00 0.88 C ATOM 2182 CD LYS B 25 -5.195 5.739 9.903 1.00 1.17 C ATOM 2183 CE LYS B 25 -5.722 5.372 11.286 1.00 1.48 C ATOM 2184 NZ LYS B 25 -5.352 6.379 12.320 1.00 1.72 N ATOM 0 H LYS B 25 -4.622 7.130 5.639 1.00 0.74 H new ATOM 0 HA LYS B 25 -6.337 5.591 7.266 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -4.307 7.102 7.854 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -5.443 8.435 7.807 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -5.425 7.868 10.069 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -6.854 7.038 9.488 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -5.451 4.951 9.195 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -4.107 5.801 9.932 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -6.807 5.279 11.245 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -5.329 4.397 11.575 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -5.643 6.037 13.258 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -4.322 6.525 12.309 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -5.832 7.279 12.115 1.00 1.72 H new ATOM 2198 N LYS B 26 -7.590 8.305 5.916 1.00 0.80 N ATOM 2199 CA LYS B 26 -8.822 9.032 5.656 1.00 0.85 C ATOM 2200 C LYS B 26 -9.793 8.172 4.857 1.00 0.83 C ATOM 2201 O LYS B 26 -11.000 8.227 5.080 1.00 0.86 O ATOM 2202 CB LYS B 26 -8.530 10.330 4.903 1.00 0.91 C ATOM 2203 CG LYS B 26 -8.910 11.584 5.674 1.00 1.01 C ATOM 2204 CD LYS B 26 -10.414 11.836 5.657 1.00 1.13 C ATOM 2205 CE LYS B 26 -11.078 11.444 6.972 1.00 1.38 C ATOM 2206 NZ LYS B 26 -12.529 11.794 7.001 1.00 1.39 N ATOM 0 H LYS B 26 -6.784 8.641 5.389 1.00 0.80 H new ATOM 0 HA LYS B 26 -9.280 9.278 6.614 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -7.467 10.370 4.664 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -9.070 10.319 3.956 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -8.570 11.491 6.706 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -8.394 12.443 5.245 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -10.602 12.891 5.457 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -10.866 11.272 4.841 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -10.962 10.372 7.129 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -10.569 11.944 7.796 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -13.017 11.194 7.696 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -12.640 12.793 7.268 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -12.942 11.639 6.059 1.00 1.39 H new ATOM 2220 N ILE B 27 -9.259 7.372 3.940 1.00 0.80 N ATOM 2221 CA ILE B 27 -10.078 6.506 3.093 1.00 0.81 C ATOM 2222 C ILE B 27 -10.954 5.562 3.920 1.00 0.80 C ATOM 2223 O ILE B 27 -12.168 5.496 3.712 1.00 0.82 O ATOM 2224 CB ILE B 27 -9.206 5.693 2.108 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -8.567 6.626 1.067 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -10.031 4.612 1.423 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -7.768 5.902 -0.002 1.00 1.04 C ATOM 0 H ILE B 27 -8.257 7.304 3.762 1.00 0.80 H new ATOM 0 HA ILE B 27 -10.734 7.160 2.519 1.00 0.81 H new ATOM 0 HB ILE B 27 -8.411 5.206 2.673 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -9.352 7.210 0.587 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -7.913 7.332 1.579 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -9.398 4.052 0.735 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -10.438 3.935 2.174 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -10.849 5.074 0.870 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -7.349 6.629 -0.698 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -6.959 5.340 0.466 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -8.421 5.216 -0.542 1.00 1.04 H new ATOM 2239 N ILE B 28 -10.346 4.850 4.864 1.00 0.78 N ATOM 2240 CA ILE B 28 -11.100 3.919 5.702 1.00 0.78 C ATOM 2241 C ILE B 28 -12.133 4.668 6.549 1.00 0.81 C ATOM 2242 O ILE B 28 -13.235 4.174 6.787 1.00 0.84 O ATOM 2243 CB ILE B 28 -10.184 3.065 6.619 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -10.987 1.930 7.270 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -9.508 3.918 7.683 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -11.294 0.784 6.328 1.00 0.97 C ATOM 0 H ILE B 28 -9.348 4.897 5.068 1.00 0.78 H new ATOM 0 HA ILE B 28 -11.612 3.236 5.025 1.00 0.78 H new ATOM 0 HB ILE B 28 -9.402 2.631 5.997 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -10.430 1.547 8.125 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -11.924 2.334 7.655 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -8.875 3.287 8.307 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -8.898 4.683 7.203 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -10.267 4.396 8.303 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.863 0.020 6.858 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -11.878 1.153 5.485 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -10.362 0.354 5.963 1.00 0.97 H new ATOM 2258 N ALA B 29 -11.778 5.876 6.979 1.00 0.82 N ATOM 2259 CA ALA B 29 -12.667 6.690 7.793 1.00 0.87 C ATOM 2260 C ALA B 29 -13.917 7.071 7.006 1.00 0.90 C ATOM 2261 O ALA B 29 -15.023 7.092 7.546 1.00 0.93 O ATOM 2262 CB ALA B 29 -11.938 7.932 8.276 1.00 0.90 C ATOM 0 H ALA B 29 -10.878 6.311 6.775 1.00 0.82 H new ATOM 0 HA ALA B 29 -12.978 6.108 8.661 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -12.611 8.536 8.885 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -11.075 7.638 8.873 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -11.604 8.515 7.418 1.00 0.90 H new ATOM 2268 N GLU B 30 -13.727 7.358 5.721 1.00 0.91 N ATOM 2269 CA GLU B 30 -14.827 7.728 4.842 1.00 0.95 C ATOM 2270 C GLU B 30 -15.815 6.578 4.702 1.00 0.95 C ATOM 2271 O GLU B 30 -17.023 6.792 4.727 1.00 0.96 O ATOM 2272 CB GLU B 30 -14.306 8.124 3.457 1.00 1.00 C ATOM 2273 CG GLU B 30 -13.389 9.335 3.469 1.00 1.02 C ATOM 2274 CD GLU B 30 -14.121 10.628 3.776 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -14.735 11.201 2.852 1.00 1.38 O ATOM 2276 OE2 GLU B 30 -14.074 11.086 4.936 1.00 1.18 O ATOM 0 H GLU B 30 -12.815 7.340 5.265 1.00 0.91 H new ATOM 0 HA GLU B 30 -15.335 8.583 5.288 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -13.770 7.279 3.026 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -15.155 8.329 2.805 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -12.605 9.183 4.210 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -12.899 9.423 2.499 1.00 1.02 H new ATOM 2283 N PHE B 31 -15.291 5.357 4.570 1.00 0.96 N ATOM 2284 CA PHE B 31 -16.133 4.170 4.418 1.00 0.99 C ATOM 2285 C PHE B 31 -17.083 4.013 5.603 1.00 0.97 C ATOM 2286 O PHE B 31 -18.240 3.617 5.437 1.00 1.01 O ATOM 2287 CB PHE B 31 -15.277 2.911 4.255 1.00 1.01 C ATOM 2288 CG PHE B 31 -14.916 2.612 2.827 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -15.805 1.937 2.002 1.00 1.50 C ATOM 2290 CD2 PHE B 31 -13.693 3.007 2.310 1.00 1.68 C ATOM 2291 CE1 PHE B 31 -15.476 1.658 0.688 1.00 1.59 C ATOM 2292 CE2 PHE B 31 -13.360 2.730 0.998 1.00 1.83 C ATOM 2293 CZ PHE B 31 -14.252 2.058 0.185 1.00 1.37 C ATOM 0 H PHE B 31 -14.289 5.165 4.565 1.00 0.96 H new ATOM 0 HA PHE B 31 -16.730 4.303 3.516 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -14.362 3.026 4.836 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -15.815 2.059 4.671 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -16.764 1.626 2.390 1.00 1.50 H new ATOM 0 HD2 PHE B 31 -12.993 3.537 2.939 1.00 1.68 H new ATOM 0 HE1 PHE B 31 -16.174 1.129 0.056 1.00 1.59 H new ATOM 0 HE2 PHE B 31 -12.402 3.039 0.608 1.00 1.83 H new ATOM 0 HZ PHE B 31 -13.994 1.845 -0.842 1.00 1.37 H new ATOM 2303 N ASP B 32 -16.587 4.331 6.792 1.00 0.94 N ATOM 2304 CA ASP B 32 -17.389 4.248 8.008 1.00 0.93 C ATOM 2305 C ASP B 32 -18.553 5.228 7.939 1.00 0.93 C ATOM 2306 O ASP B 32 -19.703 4.882 8.231 1.00 0.96 O ATOM 2307 CB ASP B 32 -16.520 4.549 9.232 1.00 0.94 C ATOM 2308 CG ASP B 32 -17.336 4.954 10.443 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -17.991 4.080 11.041 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -17.321 6.148 10.809 1.00 1.54 O ATOM 0 H ASP B 32 -15.630 4.650 6.941 1.00 0.94 H new ATOM 0 HA ASP B 32 -17.787 3.237 8.097 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -15.927 3.668 9.477 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -15.819 5.347 8.988 1.00 0.94 H new ATOM 2315 N VAL B 33 -18.240 6.446 7.526 1.00 0.92 N ATOM 2316 CA VAL B 33 -19.235 7.496 7.405 1.00 0.93 C ATOM 2317 C VAL B 33 -20.224 7.184 6.294 1.00 0.94 C ATOM 2318 O VAL B 33 -21.426 7.305 6.487 1.00 0.95 O ATOM 2319 CB VAL B 33 -18.576 8.862 7.132 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -19.600 9.986 7.192 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -17.454 9.113 8.123 1.00 0.92 C ATOM 0 H VAL B 33 -17.296 6.732 7.267 1.00 0.92 H new ATOM 0 HA VAL B 33 -19.767 7.545 8.355 1.00 0.93 H new ATOM 0 HB VAL B 33 -18.158 8.842 6.126 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -19.107 10.938 6.996 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -20.372 9.815 6.442 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -20.056 10.011 8.182 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -16.998 10.081 7.918 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -17.856 9.108 9.136 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -16.702 8.330 8.027 1.00 0.92 H new ATOM 2331 N VAL B 34 -19.712 6.758 5.141 1.00 0.96 N ATOM 2332 CA VAL B 34 -20.552 6.429 3.994 1.00 0.99 C ATOM 2333 C VAL B 34 -21.574 5.352 4.348 1.00 1.00 C ATOM 2334 O VAL B 34 -22.730 5.426 3.938 1.00 1.02 O ATOM 2335 CB VAL B 34 -19.705 5.956 2.790 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -20.586 5.385 1.684 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -18.863 7.100 2.254 1.00 1.13 C ATOM 0 H VAL B 34 -18.713 6.632 4.977 1.00 0.96 H new ATOM 0 HA VAL B 34 -21.079 7.342 3.716 1.00 0.99 H new ATOM 0 HB VAL B 34 -19.043 5.162 3.137 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -19.961 5.061 0.852 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -21.147 4.534 2.069 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -21.280 6.151 1.340 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -18.272 6.751 1.407 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -19.515 7.912 1.932 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -18.196 7.459 3.038 1.00 1.13 H new ATOM 2347 N LYS B 35 -21.142 4.366 5.122 1.00 1.01 N ATOM 2348 CA LYS B 35 -22.009 3.270 5.530 1.00 1.05 C ATOM 2349 C LYS B 35 -23.220 3.785 6.309 1.00 1.03 C ATOM 2350 O LYS B 35 -24.360 3.425 6.011 1.00 1.05 O ATOM 2351 CB LYS B 35 -21.223 2.280 6.389 1.00 1.08 C ATOM 2352 CG LYS B 35 -22.018 1.052 6.794 1.00 1.13 C ATOM 2353 CD LYS B 35 -21.434 0.411 8.039 1.00 1.32 C ATOM 2354 CE LYS B 35 -22.174 -0.858 8.405 1.00 1.51 C ATOM 2355 NZ LYS B 35 -22.003 -1.916 7.380 1.00 1.86 N ATOM 0 H LYS B 35 -20.190 4.303 5.482 1.00 1.01 H new ATOM 0 HA LYS B 35 -22.370 2.769 4.632 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -20.336 1.962 5.841 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -20.876 2.789 7.288 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -23.056 1.331 6.977 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -22.021 0.331 5.977 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -20.381 0.185 7.874 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -21.483 1.115 8.870 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -21.814 -1.223 9.367 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -23.235 -0.637 8.525 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -22.301 -2.832 7.773 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -22.585 -1.691 6.548 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -21.003 -1.969 7.099 1.00 1.86 H new ATOM 2369 N GLU B 36 -22.970 4.634 7.294 1.00 1.00 N ATOM 2370 CA GLU B 36 -24.048 5.189 8.106 1.00 1.00 C ATOM 2371 C GLU B 36 -24.850 6.233 7.319 1.00 0.96 C ATOM 2372 O GLU B 36 -26.062 6.362 7.494 1.00 0.97 O ATOM 2373 CB GLU B 36 -23.481 5.803 9.384 1.00 1.01 C ATOM 2374 CG GLU B 36 -24.424 5.720 10.578 1.00 1.15 C ATOM 2375 CD GLU B 36 -24.946 4.316 10.828 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -24.137 3.409 11.121 1.00 1.57 O ATOM 2377 OE2 GLU B 36 -26.179 4.115 10.733 1.00 1.40 O ATOM 0 H GLU B 36 -22.036 4.954 7.551 1.00 1.00 H new ATOM 0 HA GLU B 36 -24.726 4.378 8.374 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -22.547 5.299 9.635 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -23.238 6.849 9.197 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -23.904 6.072 11.469 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -25.267 6.391 10.415 1.00 1.15 H new ATOM 2384 N SER B 37 -24.177 6.952 6.435 1.00 0.00 N ATOM 2385 CA SER B 37 -24.781 7.984 5.597 1.00 0.00 C ATOM 2386 C SER B 37 -25.897 7.413 4.755 1.00 0.00 C ATOM 2387 O SER B 37 -27.011 7.923 4.751 1.00 0.00 O ATOM 2388 CB SER B 37 -23.708 8.682 4.724 1.00 0.00 C ATOM 2389 OG SER B 37 -22.771 9.442 5.495 1.00 0.00 O ATOM 0 H SER B 37 -23.177 6.835 6.274 1.00 0.00 H new ATOM 0 HA SER B 37 -25.219 8.740 6.249 1.00 0.00 H new ATOM 0 HB2 SER B 37 -23.170 7.930 4.147 1.00 0.00 H new ATOM 0 HB3 SER B 37 -24.201 9.340 4.009 1.00 0.00 H new ATOM 0 HG SER B 37 -22.121 8.837 5.909 1.00 0.00 H new ATOM 2395 N VAL B 38 -25.574 6.381 3.975 1.00 0.96 N ATOM 2396 CA VAL B 38 -26.553 5.752 3.091 1.00 1.00 C ATOM 2397 C VAL B 38 -27.687 5.117 3.885 1.00 1.02 C ATOM 2398 O VAL B 38 -28.802 4.988 3.386 1.00 1.04 O ATOM 2399 CB VAL B 38 -25.917 4.694 2.159 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -24.945 5.352 1.194 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -25.233 3.591 2.957 1.00 1.07 C ATOM 0 H VAL B 38 -24.644 5.964 3.938 1.00 0.96 H new ATOM 0 HA VAL B 38 -26.954 6.551 2.467 1.00 1.00 H new ATOM 0 HB VAL B 38 -26.716 4.231 1.580 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -24.506 4.593 0.546 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -25.475 6.086 0.587 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -24.155 5.850 1.756 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -24.796 2.864 2.272 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -24.447 4.024 3.576 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -25.965 3.095 3.594 1.00 1.07 H new ATOM 2411 N ASN B 39 -27.394 4.727 5.120 1.00 1.03 N ATOM 2412 CA ASN B 39 -28.393 4.106 5.989 1.00 1.07 C ATOM 2413 C ASN B 39 -29.541 5.077 6.249 1.00 1.05 C ATOM 2414 O ASN B 39 -30.712 4.753 6.028 1.00 1.08 O ATOM 2415 CB ASN B 39 -27.748 3.671 7.315 1.00 1.11 C ATOM 2416 CG ASN B 39 -28.741 3.068 8.297 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -29.748 2.481 7.898 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -28.454 3.185 9.587 1.00 1.25 N ATOM 0 H ASN B 39 -26.472 4.829 5.545 1.00 1.03 H new ATOM 0 HA ASN B 39 -28.791 3.222 5.491 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -26.964 2.942 7.108 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -27.268 4.533 7.778 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -29.077 2.781 10.287 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -27.610 3.678 9.879 1.00 1.25 H new ATOM 2425 N GLU B 40 -29.189 6.280 6.676 1.00 1.02 N ATOM 2426 CA GLU B 40 -30.173 7.314 6.976 1.00 1.02 C ATOM 2427 C GLU B 40 -30.772 7.903 5.699 1.00 0.98 C ATOM 2428 O GLU B 40 -31.978 8.124 5.610 1.00 1.01 O ATOM 2429 CB GLU B 40 -29.512 8.423 7.792 1.00 1.04 C ATOM 2430 CG GLU B 40 -30.096 8.585 9.182 1.00 1.24 C ATOM 2431 CD GLU B 40 -31.596 8.773 9.163 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -32.082 9.676 8.450 1.00 1.92 O ATOM 2433 OE2 GLU B 40 -32.302 8.022 9.872 1.00 2.04 O ATOM 0 H GLU B 40 -28.222 6.568 6.824 1.00 1.02 H new ATOM 0 HA GLU B 40 -30.981 6.859 7.549 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -28.446 8.214 7.877 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -29.610 9.366 7.254 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -29.851 7.707 9.780 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -29.632 9.442 9.670 1.00 1.24 H new ATOM 2440 N LEU B 41 -29.916 8.139 4.714 1.00 0.95 N ATOM 2441 CA LEU B 41 -30.325 8.719 3.440 1.00 0.94 C ATOM 2442 C LEU B 41 -31.401 7.876 2.756 1.00 0.95 C ATOM 2443 O LEU B 41 -32.436 8.395 2.342 1.00 0.97 O ATOM 2444 CB LEU B 41 -29.108 8.857 2.523 1.00 0.92 C ATOM 2445 CG LEU B 41 -29.362 9.558 1.187 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -29.645 11.038 1.397 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -28.172 9.365 0.258 1.00 1.01 C ATOM 0 H LEU B 41 -28.919 7.934 4.775 1.00 0.95 H new ATOM 0 HA LEU B 41 -30.751 9.703 3.638 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -28.333 9.405 3.058 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -28.713 7.861 2.321 1.00 0.92 H new ATOM 0 HG LEU B 41 -30.242 9.110 0.724 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -29.822 11.515 0.433 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -30.527 11.154 2.027 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -28.789 11.507 1.882 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -28.365 9.868 -0.689 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -27.279 9.787 0.718 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -28.019 8.301 0.079 1.00 1.01 H new ATOM 2459 N SER B 42 -31.154 6.577 2.656 1.00 0.97 N ATOM 2460 CA SER B 42 -32.087 5.667 2.011 1.00 1.01 C ATOM 2461 C SER B 42 -33.408 5.593 2.774 1.00 1.02 C ATOM 2462 O SER B 42 -34.479 5.504 2.171 1.00 1.03 O ATOM 2463 CB SER B 42 -31.467 4.271 1.892 1.00 1.07 C ATOM 2464 OG SER B 42 -32.230 3.439 1.032 1.00 1.56 O ATOM 0 H SER B 42 -30.311 6.129 3.016 1.00 0.97 H new ATOM 0 HA SER B 42 -32.296 6.052 1.013 1.00 1.01 H new ATOM 0 HB2 SER B 42 -30.449 4.354 1.512 1.00 1.07 H new ATOM 0 HB3 SER B 42 -31.402 3.814 2.880 1.00 1.07 H new ATOM 0 HG SER B 42 -31.674 2.695 0.719 1.00 1.56 H new ATOM 2470 N GLU B 43 -33.323 5.656 4.096 1.00 1.04 N ATOM 2471 CA GLU B 43 -34.498 5.583 4.955 1.00 1.07 C ATOM 2472 C GLU B 43 -35.449 6.750 4.695 1.00 1.05 C ATOM 2473 O GLU B 43 -36.665 6.568 4.627 1.00 1.10 O ATOM 2474 CB GLU B 43 -34.061 5.573 6.420 1.00 1.12 C ATOM 2475 CG GLU B 43 -35.037 4.867 7.343 1.00 1.24 C ATOM 2476 CD GLU B 43 -35.839 5.831 8.190 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -35.863 7.040 7.874 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -36.439 5.385 9.187 1.00 1.92 O ATOM 0 H GLU B 43 -32.443 5.759 4.601 1.00 1.04 H new ATOM 0 HA GLU B 43 -35.034 4.661 4.728 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -33.087 5.089 6.496 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -33.933 6.601 6.759 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -35.718 4.258 6.748 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -34.488 4.187 7.994 1.00 1.24 H new ATOM 2485 N LYS B 44 -34.898 7.945 4.530 1.00 1.00 N ATOM 2486 CA LYS B 44 -35.716 9.129 4.287 1.00 1.00 C ATOM 2487 C LYS B 44 -36.241 9.161 2.857 1.00 0.98 C ATOM 2488 O LYS B 44 -37.341 9.652 2.602 1.00 1.03 O ATOM 2489 CB LYS B 44 -34.910 10.395 4.582 1.00 1.01 C ATOM 2490 CG LYS B 44 -34.518 10.533 6.044 1.00 1.06 C ATOM 2491 CD LYS B 44 -35.745 10.570 6.942 1.00 1.17 C ATOM 2492 CE LYS B 44 -35.381 10.510 8.415 1.00 1.32 C ATOM 2493 NZ LYS B 44 -34.686 9.244 8.760 1.00 1.35 N ATOM 0 H LYS B 44 -33.894 8.121 4.559 1.00 1.00 H new ATOM 0 HA LYS B 44 -36.575 9.086 4.957 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -34.008 10.394 3.970 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -35.494 11.266 4.286 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -33.879 9.699 6.332 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -33.935 11.444 6.182 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -36.309 11.482 6.746 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -36.398 9.732 6.697 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -34.741 11.356 8.666 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -36.285 10.604 9.017 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -34.575 9.179 9.792 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -35.247 8.437 8.421 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -33.749 9.228 8.309 1.00 1.35 H new ATOM 2507 N ALA B 45 -35.464 8.618 1.930 1.00 0.98 N ATOM 2508 CA ALA B 45 -35.856 8.589 0.524 1.00 0.99 C ATOM 2509 C ALA B 45 -36.979 7.585 0.290 1.00 1.01 C ATOM 2510 O ALA B 45 -37.751 7.712 -0.652 1.00 1.03 O ATOM 2511 CB ALA B 45 -34.656 8.257 -0.348 1.00 1.01 C ATOM 0 H ALA B 45 -34.558 8.191 2.124 1.00 0.98 H new ATOM 0 HA ALA B 45 -36.226 9.577 0.252 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -34.961 8.238 -1.394 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -33.884 9.014 -0.208 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -34.261 7.280 -0.067 1.00 1.01 H new ATOM 2517 N LYS B 46 -37.076 6.607 1.178 1.00 1.04 N ATOM 2518 CA LYS B 46 -38.098 5.566 1.077 1.00 1.10 C ATOM 2519 C LYS B 46 -39.484 6.102 1.425 1.00 1.12 C ATOM 2520 O LYS B 46 -40.491 5.440 1.183 1.00 1.18 O ATOM 2521 CB LYS B 46 -37.750 4.388 1.986 1.00 1.18 C ATOM 2522 CG LYS B 46 -37.785 3.042 1.277 1.00 1.46 C ATOM 2523 CD LYS B 46 -36.718 2.099 1.814 1.00 1.98 C ATOM 2524 CE LYS B 46 -35.320 2.593 1.464 1.00 2.66 C ATOM 2525 NZ LYS B 46 -34.269 1.593 1.779 1.00 3.40 N ATOM 0 H LYS B 46 -36.457 6.509 1.983 1.00 1.04 H new ATOM 0 HA LYS B 46 -38.119 5.227 0.041 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -36.755 4.544 2.404 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -38.448 4.367 2.823 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -38.768 2.589 1.403 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -37.636 3.189 0.207 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -36.816 2.013 2.896 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -36.868 1.102 1.400 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -35.279 2.836 0.402 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -35.116 3.514 2.010 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -33.332 2.007 1.603 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -34.342 1.315 2.779 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -34.396 0.755 1.177 1.00 3.40 H new ATOM 2539 N THR B 47 -39.535 7.280 2.025 1.00 1.10 N ATOM 2540 CA THR B 47 -40.800 7.892 2.400 1.00 1.16 C ATOM 2541 C THR B 47 -41.438 8.618 1.212 1.00 1.17 C ATOM 2542 O THR B 47 -42.652 8.834 1.178 1.00 1.27 O ATOM 2543 CB THR B 47 -40.602 8.894 3.551 1.00 1.24 C ATOM 2544 OG1 THR B 47 -39.639 8.383 4.480 1.00 1.54 O ATOM 2545 CG2 THR B 47 -41.913 9.159 4.271 1.00 1.41 C ATOM 0 H THR B 47 -38.712 7.833 2.264 1.00 1.10 H new ATOM 0 HA THR B 47 -41.463 7.090 2.725 1.00 1.16 H new ATOM 0 HB THR B 47 -40.242 9.833 3.129 1.00 1.24 H new ATOM 0 HG1 THR B 47 -38.737 8.615 4.177 1.00 1.54 H new ATOM 0 HG21 THR B 47 -41.746 9.870 5.080 1.00 1.41 H new ATOM 0 HG22 THR B 47 -42.637 9.572 3.568 1.00 1.41 H new ATOM 0 HG23 THR B 47 -42.298 8.226 4.682 1.00 1.41 H new ATOM 2553 N ASP B 48 -40.623 8.969 0.226 1.00 1.14 N ATOM 2554 CA ASP B 48 -41.112 9.694 -0.941 1.00 1.18 C ATOM 2555 C ASP B 48 -40.877 8.896 -2.219 1.00 1.14 C ATOM 2556 O ASP B 48 -39.777 8.409 -2.458 1.00 1.10 O ATOM 2557 CB ASP B 48 -40.429 11.063 -1.030 1.00 1.23 C ATOM 2558 CG ASP B 48 -40.900 11.883 -2.213 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -42.031 12.405 -2.171 1.00 1.39 O ATOM 2560 OD2 ASP B 48 -40.133 12.024 -3.183 1.00 1.43 O ATOM 0 H ASP B 48 -39.624 8.765 0.210 1.00 1.14 H new ATOM 0 HA ASP B 48 -42.187 9.840 -0.831 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -40.619 11.618 -0.111 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -39.351 10.921 -1.100 1.00 1.23 H new ATOM 2565 N PRO B 49 -41.912 8.757 -3.062 1.00 1.20 N ATOM 2566 CA PRO B 49 -41.815 8.000 -4.317 1.00 1.22 C ATOM 2567 C PRO B 49 -40.770 8.571 -5.279 1.00 1.24 C ATOM 2568 O PRO B 49 -40.077 7.821 -5.971 1.00 1.24 O ATOM 2569 CB PRO B 49 -43.218 8.106 -4.924 1.00 1.33 C ATOM 2570 CG PRO B 49 -43.869 9.255 -4.231 1.00 1.36 C ATOM 2571 CD PRO B 49 -43.258 9.322 -2.861 1.00 1.29 C ATOM 0 HA PRO B 49 -41.495 6.974 -4.135 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -43.168 8.274 -6.000 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -43.782 7.186 -4.771 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -43.702 10.184 -4.777 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -44.948 9.111 -4.169 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -43.213 10.346 -2.490 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -43.832 8.745 -2.136 1.00 1.29 H new ATOM 2579 N GLN B 50 -40.642 9.893 -5.303 1.00 1.28 N ATOM 2580 CA GLN B 50 -39.679 10.548 -6.177 1.00 1.33 C ATOM 2581 C GLN B 50 -38.275 10.304 -5.654 1.00 1.22 C ATOM 2582 O GLN B 50 -37.362 9.981 -6.415 1.00 1.22 O ATOM 2583 CB GLN B 50 -39.959 12.048 -6.252 1.00 1.45 C ATOM 2584 CG GLN B 50 -41.361 12.380 -6.739 1.00 1.58 C ATOM 2585 CD GLN B 50 -41.880 13.690 -6.184 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -42.579 14.435 -6.871 1.00 1.81 O ATOM 2587 NE2 GLN B 50 -41.567 13.973 -4.929 1.00 1.66 N ATOM 0 H GLN B 50 -41.193 10.530 -4.728 1.00 1.28 H new ATOM 0 HA GLN B 50 -39.769 10.132 -7.180 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -39.812 12.487 -5.265 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -39.232 12.512 -6.918 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -41.361 12.427 -7.828 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -42.040 11.576 -6.454 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -40.985 13.331 -4.391 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -41.908 14.833 -4.500 1.00 1.66 H new ATOM 2596 N ALA B 51 -38.117 10.449 -4.344 1.00 1.15 N ATOM 2597 CA ALA B 51 -36.834 10.230 -3.696 1.00 1.08 C ATOM 2598 C ALA B 51 -36.408 8.774 -3.834 1.00 1.00 C ATOM 2599 O ALA B 51 -35.220 8.471 -3.935 1.00 0.98 O ATOM 2600 CB ALA B 51 -36.903 10.638 -2.233 1.00 1.09 C ATOM 0 H ALA B 51 -38.867 10.719 -3.708 1.00 1.15 H new ATOM 0 HA ALA B 51 -36.085 10.850 -4.188 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -35.935 10.468 -1.762 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -37.161 11.695 -2.162 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -37.663 10.044 -1.725 1.00 1.09 H new ATOM 2606 N ALA B 52 -37.388 7.877 -3.840 1.00 0.99 N ATOM 2607 CA ALA B 52 -37.129 6.453 -3.995 1.00 0.98 C ATOM 2608 C ALA B 52 -36.514 6.176 -5.363 1.00 1.02 C ATOM 2609 O ALA B 52 -35.627 5.335 -5.501 1.00 1.03 O ATOM 2610 CB ALA B 52 -38.412 5.654 -3.813 1.00 1.03 C ATOM 0 H ALA B 52 -38.375 8.115 -3.739 1.00 0.99 H new ATOM 0 HA ALA B 52 -36.422 6.142 -3.226 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -38.199 4.592 -3.932 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -38.814 5.834 -2.816 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -39.143 5.964 -4.560 1.00 1.03 H new ATOM 2616 N GLU B 53 -36.983 6.909 -6.368 1.00 1.09 N ATOM 2617 CA GLU B 53 -36.481 6.764 -7.729 1.00 1.18 C ATOM 2618 C GLU B 53 -35.071 7.343 -7.838 1.00 1.17 C ATOM 2619 O GLU B 53 -34.239 6.855 -8.609 1.00 1.23 O ATOM 2620 CB GLU B 53 -37.428 7.458 -8.713 1.00 1.28 C ATOM 2621 CG GLU B 53 -37.082 7.216 -10.172 1.00 1.45 C ATOM 2622 CD GLU B 53 -36.853 5.753 -10.476 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -37.728 4.928 -10.150 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -35.788 5.419 -11.038 1.00 1.58 O ATOM 0 H GLU B 53 -37.714 7.613 -6.264 1.00 1.09 H new ATOM 0 HA GLU B 53 -36.436 5.704 -7.979 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -38.445 7.113 -8.529 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -37.416 8.531 -8.520 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -37.889 7.593 -10.801 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -36.187 7.782 -10.429 1.00 1.45 H new ATOM 2631 N LYS B 54 -34.809 8.388 -7.066 1.00 1.13 N ATOM 2632 CA LYS B 54 -33.497 9.015 -7.060 1.00 1.14 C ATOM 2633 C LYS B 54 -32.476 8.059 -6.456 1.00 1.05 C ATOM 2634 O LYS B 54 -31.403 7.839 -7.018 1.00 1.09 O ATOM 2635 CB LYS B 54 -33.533 10.322 -6.266 1.00 1.16 C ATOM 2636 CG LYS B 54 -34.407 11.399 -6.897 1.00 1.32 C ATOM 2637 CD LYS B 54 -34.689 12.540 -5.929 1.00 1.48 C ATOM 2638 CE LYS B 54 -33.449 13.378 -5.670 1.00 1.68 C ATOM 2639 NZ LYS B 54 -33.201 14.354 -6.764 1.00 2.09 N ATOM 0 H LYS B 54 -35.487 8.818 -6.437 1.00 1.13 H new ATOM 0 HA LYS B 54 -33.209 9.245 -8.086 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -33.897 10.115 -5.259 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -32.517 10.704 -6.166 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -33.914 11.791 -7.787 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -35.349 10.958 -7.222 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -35.478 13.174 -6.334 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -35.057 12.135 -4.987 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -33.562 13.912 -4.726 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -32.584 12.723 -5.564 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -32.346 14.906 -6.549 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -33.068 13.844 -7.661 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -34.015 14.995 -6.848 1.00 2.09 H new ATOM 2653 N LEU B 55 -32.837 7.473 -5.322 1.00 0.98 N ATOM 2654 CA LEU B 55 -31.980 6.523 -4.629 1.00 0.95 C ATOM 2655 C LEU B 55 -31.774 5.280 -5.487 1.00 0.99 C ATOM 2656 O LEU B 55 -30.725 4.644 -5.431 1.00 0.99 O ATOM 2657 CB LEU B 55 -32.606 6.131 -3.284 1.00 0.94 C ATOM 2658 CG LEU B 55 -31.692 6.250 -2.058 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -30.542 5.257 -2.136 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -31.162 7.666 -1.918 1.00 1.09 C ATOM 0 H LEU B 55 -33.730 7.643 -4.859 1.00 0.98 H new ATOM 0 HA LEU B 55 -31.013 6.992 -4.447 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -33.485 6.754 -3.119 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -32.954 5.101 -3.354 1.00 0.94 H new ATOM 0 HG LEU B 55 -32.285 6.014 -1.174 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -29.910 5.363 -1.255 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -30.939 4.243 -2.178 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -29.952 5.453 -3.031 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -30.516 7.728 -1.042 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -30.592 7.931 -2.809 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -31.997 8.357 -1.803 1.00 1.09 H new ATOM 2672 N ASN B 56 -32.783 4.962 -6.291 1.00 1.06 N ATOM 2673 CA ASN B 56 -32.747 3.800 -7.177 1.00 1.16 C ATOM 2674 C ASN B 56 -31.532 3.852 -8.107 1.00 1.20 C ATOM 2675 O ASN B 56 -30.745 2.901 -8.174 1.00 1.26 O ATOM 2676 CB ASN B 56 -34.043 3.732 -8.001 1.00 1.26 C ATOM 2677 CG ASN B 56 -34.008 2.686 -9.093 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -33.477 1.597 -8.906 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -34.586 3.011 -10.239 1.00 1.58 N ATOM 0 H ASN B 56 -33.648 5.500 -6.348 1.00 1.06 H new ATOM 0 HA ASN B 56 -32.662 2.903 -6.563 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -34.878 3.521 -7.333 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -34.231 4.708 -8.449 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -34.601 2.343 -11.010 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -35.016 3.929 -10.351 1.00 1.58 H new ATOM 2686 N LYS B 57 -31.368 4.969 -8.803 1.00 1.21 N ATOM 2687 CA LYS B 57 -30.246 5.132 -9.727 1.00 1.29 C ATOM 2688 C LYS B 57 -28.959 5.465 -8.979 1.00 1.21 C ATOM 2689 O LYS B 57 -27.871 5.093 -9.415 1.00 1.26 O ATOM 2690 CB LYS B 57 -30.548 6.205 -10.779 1.00 1.39 C ATOM 2691 CG LYS B 57 -31.181 7.475 -10.218 1.00 1.52 C ATOM 2692 CD LYS B 57 -31.638 8.417 -11.325 1.00 1.62 C ATOM 2693 CE LYS B 57 -32.731 7.794 -12.187 1.00 1.73 C ATOM 2694 NZ LYS B 57 -33.972 7.514 -11.408 1.00 1.81 N ATOM 0 H LYS B 57 -31.992 5.774 -8.748 1.00 1.21 H new ATOM 0 HA LYS B 57 -30.104 4.181 -10.241 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -29.621 6.469 -11.288 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -31.215 5.782 -11.531 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -32.033 7.210 -9.592 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -30.462 7.987 -9.579 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -32.007 9.343 -10.884 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -30.786 8.680 -11.953 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -32.966 8.465 -13.013 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -32.362 6.867 -12.625 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -34.228 6.511 -11.512 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -33.807 7.727 -10.404 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -34.747 8.108 -11.765 1.00 1.81 H new ATOM 2708 N LEU B 58 -29.094 6.162 -7.853 1.00 1.12 N ATOM 2709 CA LEU B 58 -27.943 6.564 -7.045 1.00 1.09 C ATOM 2710 C LEU B 58 -27.143 5.349 -6.569 1.00 1.08 C ATOM 2711 O LEU B 58 -25.937 5.262 -6.802 1.00 1.11 O ATOM 2712 CB LEU B 58 -28.409 7.383 -5.835 1.00 1.06 C ATOM 2713 CG LEU B 58 -27.884 8.825 -5.760 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -26.362 8.851 -5.726 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -28.408 9.650 -6.927 1.00 1.40 C ATOM 0 H LEU B 58 -29.994 6.462 -7.477 1.00 1.12 H new ATOM 0 HA LEU B 58 -27.293 7.175 -7.671 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -29.499 7.413 -5.839 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -28.108 6.859 -4.928 1.00 1.06 H new ATOM 0 HG LEU B 58 -28.250 9.268 -4.834 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -26.017 9.884 -5.673 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -26.008 8.305 -4.852 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -25.970 8.383 -6.629 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -28.024 10.668 -6.855 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -28.078 9.204 -7.865 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -29.497 9.670 -6.898 1.00 1.40 H new ATOM 2727 N ILE B 59 -27.820 4.408 -5.917 1.00 1.08 N ATOM 2728 CA ILE B 59 -27.160 3.206 -5.406 1.00 1.15 C ATOM 2729 C ILE B 59 -26.704 2.295 -6.546 1.00 1.25 C ATOM 2730 O ILE B 59 -25.669 1.635 -6.449 1.00 1.32 O ATOM 2731 CB ILE B 59 -28.060 2.421 -4.416 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -27.232 1.381 -3.648 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -29.225 1.750 -5.134 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -26.195 1.986 -2.719 1.00 1.37 C ATOM 0 H ILE B 59 -28.822 4.452 -5.729 1.00 1.08 H new ATOM 0 HA ILE B 59 -26.280 3.543 -4.858 1.00 1.15 H new ATOM 0 HB ILE B 59 -28.475 3.135 -3.705 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -27.906 0.753 -3.065 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -26.729 0.731 -4.364 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -29.835 1.209 -4.411 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -29.834 2.508 -5.627 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -28.841 1.053 -5.878 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -25.651 1.189 -2.212 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -25.497 2.591 -3.298 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -26.692 2.613 -1.979 1.00 1.37 H new ATOM 2746 N GLU B 60 -27.478 2.266 -7.627 1.00 1.29 N ATOM 2747 CA GLU B 60 -27.149 1.440 -8.780 1.00 1.44 C ATOM 2748 C GLU B 60 -25.806 1.863 -9.357 1.00 1.40 C ATOM 2749 O GLU B 60 -24.956 1.025 -9.662 1.00 1.51 O ATOM 2750 CB GLU B 60 -28.244 1.555 -9.840 1.00 1.54 C ATOM 2751 CG GLU B 60 -28.107 0.546 -10.971 1.00 1.75 C ATOM 2752 CD GLU B 60 -29.197 0.689 -12.014 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -29.029 1.502 -12.945 1.00 2.17 O ATOM 2754 OE2 GLU B 60 -30.222 -0.013 -11.907 1.00 2.28 O ATOM 0 H GLU B 60 -28.338 2.806 -7.727 1.00 1.29 H new ATOM 0 HA GLU B 60 -27.081 0.399 -8.463 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -29.215 1.423 -9.363 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -28.228 2.561 -10.258 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -27.135 0.670 -11.448 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -28.134 -0.463 -10.559 1.00 1.75 H new ATOM 2761 N GLY B 61 -25.617 3.177 -9.471 1.00 1.29 N ATOM 2762 CA GLY B 61 -24.377 3.715 -9.996 1.00 1.28 C ATOM 2763 C GLY B 61 -23.192 3.368 -9.119 1.00 1.21 C ATOM 2764 O GLY B 61 -22.100 3.107 -9.616 1.00 1.23 O ATOM 0 H GLY B 61 -26.307 3.880 -9.207 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -24.210 3.327 -11.001 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -24.459 4.798 -10.082 1.00 1.28 H new ATOM 2768 N TYR B 62 -23.418 3.352 -7.807 1.00 1.19 N ATOM 2769 CA TYR B 62 -22.363 3.021 -6.850 1.00 1.23 C ATOM 2770 C TYR B 62 -21.986 1.547 -6.971 1.00 1.35 C ATOM 2771 O TYR B 62 -20.811 1.182 -6.911 1.00 1.37 O ATOM 2772 CB TYR B 62 -22.807 3.341 -5.416 1.00 1.28 C ATOM 2773 CG TYR B 62 -21.777 2.972 -4.370 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -20.569 3.657 -4.287 1.00 2.11 C ATOM 2775 CD2 TYR B 62 -22.007 1.936 -3.476 1.00 2.25 C ATOM 2776 CE1 TYR B 62 -19.620 3.314 -3.345 1.00 2.72 C ATOM 2777 CE2 TYR B 62 -21.062 1.590 -2.528 1.00 2.90 C ATOM 2778 CZ TYR B 62 -19.871 2.285 -2.467 1.00 2.96 C ATOM 2779 OH TYR B 62 -18.922 1.941 -1.530 1.00 3.75 O ATOM 0 H TYR B 62 -24.321 3.564 -7.382 1.00 1.19 H new ATOM 0 HA TYR B 62 -21.488 3.629 -7.080 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -23.025 4.406 -5.340 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -23.735 2.810 -5.204 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -20.371 4.470 -4.970 1.00 2.11 H new ATOM 0 HD2 TYR B 62 -22.939 1.392 -3.521 1.00 2.25 H new ATOM 0 HE1 TYR B 62 -18.684 3.851 -3.297 1.00 2.72 H new ATOM 0 HE2 TYR B 62 -21.255 0.781 -1.839 1.00 2.90 H new ATOM 0 HH TYR B 62 -19.254 1.196 -0.986 1.00 3.75 H new ATOM 2789 N THR B 63 -23.001 0.715 -7.156 1.00 1.51 N ATOM 2790 CA THR B 63 -22.810 -0.722 -7.303 1.00 1.71 C ATOM 2791 C THR B 63 -22.021 -1.024 -8.574 1.00 1.67 C ATOM 2792 O THR B 63 -21.168 -1.912 -8.600 1.00 1.80 O ATOM 2793 CB THR B 63 -24.168 -1.453 -7.346 1.00 1.94 C ATOM 2794 OG1 THR B 63 -25.000 -0.992 -6.271 1.00 2.00 O ATOM 2795 CG2 THR B 63 -23.990 -2.959 -7.235 1.00 2.31 C ATOM 0 H THR B 63 -23.975 1.014 -7.208 1.00 1.51 H new ATOM 0 HA THR B 63 -22.248 -1.079 -6.440 1.00 1.71 H new ATOM 0 HB THR B 63 -24.639 -1.233 -8.304 1.00 1.94 H new ATOM 0 HG1 THR B 63 -25.318 -0.086 -6.469 1.00 2.00 H new ATOM 0 HG21 THR B 63 -24.966 -3.444 -7.268 1.00 2.31 H new ATOM 0 HG22 THR B 63 -23.379 -3.315 -8.064 1.00 2.31 H new ATOM 0 HG23 THR B 63 -23.498 -3.199 -6.292 1.00 2.31 H new ATOM 2803 N TYR B 64 -22.291 -0.253 -9.618 1.00 1.57 N ATOM 2804 CA TYR B 64 -21.614 -0.423 -10.894 1.00 1.63 C ATOM 2805 C TYR B 64 -20.376 0.469 -10.961 1.00 1.37 C ATOM 2806 O TYR B 64 -19.867 0.779 -12.042 1.00 1.46 O ATOM 2807 CB TYR B 64 -22.573 -0.100 -12.038 1.00 1.90 C ATOM 2808 CG TYR B 64 -22.240 -0.814 -13.331 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -22.137 -2.200 -13.373 1.00 2.81 C ATOM 2810 CD2 TYR B 64 -22.033 -0.103 -14.506 1.00 3.10 C ATOM 2811 CE1 TYR B 64 -21.836 -2.857 -14.549 1.00 3.50 C ATOM 2812 CE2 TYR B 64 -21.731 -0.755 -15.687 1.00 3.76 C ATOM 2813 CZ TYR B 64 -21.635 -2.131 -15.702 1.00 3.84 C ATOM 2814 OH TYR B 64 -21.333 -2.785 -16.873 1.00 4.62 O ATOM 0 H TYR B 64 -22.978 0.500 -9.605 1.00 1.57 H new ATOM 0 HA TYR B 64 -21.293 -1.460 -10.990 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -23.586 -0.366 -11.737 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -22.565 0.976 -12.215 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -22.295 -2.772 -12.471 1.00 2.81 H new ATOM 0 HD2 TYR B 64 -22.109 0.974 -14.497 1.00 3.10 H new ATOM 0 HE1 TYR B 64 -21.759 -3.934 -14.565 1.00 3.50 H new ATOM 0 HE2 TYR B 64 -21.571 -0.190 -16.593 1.00 3.76 H new ATOM 0 HH TYR B 64 -21.223 -2.131 -17.594 1.00 4.62 H new ATOM 2824 N GLY B 65 -19.899 0.878 -9.795 1.00 1.20 N ATOM 2825 CA GLY B 65 -18.734 1.727 -9.723 1.00 1.11 C ATOM 2826 C GLY B 65 -17.446 0.971 -9.966 1.00 1.04 C ATOM 2827 O GLY B 65 -16.736 0.619 -9.023 1.00 1.03 O ATOM 0 H GLY B 65 -20.304 0.633 -8.891 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -18.826 2.526 -10.458 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -18.694 2.200 -8.742 1.00 1.11 H new ATOM 2831 N GLU B 66 -17.142 0.726 -11.235 1.00 1.04 N ATOM 2832 CA GLU B 66 -15.925 0.017 -11.617 1.00 1.02 C ATOM 2833 C GLU B 66 -14.692 0.731 -11.074 1.00 0.98 C ATOM 2834 O GLU B 66 -13.710 0.098 -10.695 1.00 0.95 O ATOM 2835 CB GLU B 66 -15.831 -0.084 -13.139 1.00 1.10 C ATOM 2836 CG GLU B 66 -16.174 -1.460 -13.680 1.00 1.36 C ATOM 2837 CD GLU B 66 -15.112 -2.490 -13.364 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -13.979 -2.357 -13.876 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -15.398 -3.439 -12.609 1.00 2.08 O ATOM 0 H GLU B 66 -17.725 1.010 -12.022 1.00 1.04 H new ATOM 0 HA GLU B 66 -15.966 -0.985 -11.190 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -16.502 0.650 -13.585 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -14.820 0.178 -13.450 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -17.126 -1.785 -13.260 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -16.306 -1.399 -14.760 1.00 1.36 H new ATOM 2846 N GLU B 67 -14.761 2.059 -11.032 1.00 1.00 N ATOM 2847 CA GLU B 67 -13.661 2.873 -10.542 1.00 1.01 C ATOM 2848 C GLU B 67 -13.477 2.709 -9.033 1.00 0.97 C ATOM 2849 O GLU B 67 -12.409 2.993 -8.494 1.00 0.95 O ATOM 2850 CB GLU B 67 -13.895 4.335 -10.913 1.00 1.10 C ATOM 2851 CG GLU B 67 -14.126 4.531 -12.405 1.00 1.53 C ATOM 2852 CD GLU B 67 -13.770 5.920 -12.878 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -13.595 6.814 -12.026 1.00 2.44 O ATOM 2854 OE2 GLU B 67 -13.662 6.124 -14.103 1.00 2.28 O ATOM 0 H GLU B 67 -15.575 2.594 -11.335 1.00 1.00 H new ATOM 0 HA GLU B 67 -12.740 2.534 -11.016 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -14.757 4.712 -10.363 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -13.035 4.927 -10.601 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -13.534 3.802 -12.958 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -15.173 4.332 -12.635 1.00 1.53 H new ATOM 2861 N ARG B 68 -14.522 2.245 -8.362 1.00 0.98 N ATOM 2862 CA ARG B 68 -14.465 2.001 -6.929 1.00 0.99 C ATOM 2863 C ARG B 68 -13.629 0.747 -6.699 1.00 0.95 C ATOM 2864 O ARG B 68 -12.807 0.673 -5.779 1.00 0.95 O ATOM 2865 CB ARG B 68 -15.888 1.844 -6.379 1.00 1.04 C ATOM 2866 CG ARG B 68 -15.981 1.194 -5.009 1.00 1.10 C ATOM 2867 CD ARG B 68 -17.408 0.753 -4.734 1.00 1.41 C ATOM 2868 NE ARG B 68 -17.572 0.123 -3.424 1.00 1.59 N ATOM 2869 CZ ARG B 68 -17.829 -1.173 -3.245 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -17.869 -1.997 -4.283 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -18.041 -1.643 -2.023 1.00 2.17 N ATOM 0 H ARG B 68 -15.423 2.030 -8.790 1.00 0.98 H new ATOM 0 HA ARG B 68 -14.003 2.837 -6.404 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -16.352 2.829 -6.329 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -16.471 1.252 -7.085 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -15.311 0.335 -4.959 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -15.656 1.897 -4.242 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -18.068 1.618 -4.800 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -17.721 0.053 -5.509 1.00 1.41 H new ATOM 0 HE ARG B 68 -17.484 0.712 -2.596 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -17.703 -1.640 -5.224 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -18.066 -2.988 -4.140 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -18.007 -1.013 -1.221 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -18.238 -2.634 -1.885 1.00 2.17 H new ATOM 2885 N LYS B 69 -13.835 -0.225 -7.581 1.00 0.94 N ATOM 2886 CA LYS B 69 -13.100 -1.478 -7.540 1.00 0.94 C ATOM 2887 C LYS B 69 -11.629 -1.208 -7.844 1.00 0.89 C ATOM 2888 O LYS B 69 -10.733 -1.882 -7.330 1.00 0.88 O ATOM 2889 CB LYS B 69 -13.679 -2.460 -8.560 1.00 1.00 C ATOM 2890 CG LYS B 69 -12.975 -3.808 -8.587 1.00 1.28 C ATOM 2891 CD LYS B 69 -13.208 -4.528 -9.902 1.00 1.46 C ATOM 2892 CE LYS B 69 -12.287 -4.001 -10.992 1.00 1.55 C ATOM 2893 NZ LYS B 69 -12.635 -4.557 -12.326 1.00 1.70 N ATOM 0 H LYS B 69 -14.514 -0.165 -8.340 1.00 0.94 H new ATOM 0 HA LYS B 69 -13.188 -1.919 -6.547 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -14.735 -2.617 -8.339 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -13.624 -2.012 -9.552 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -11.905 -3.665 -8.433 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -13.335 -4.425 -7.764 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -13.042 -5.597 -9.768 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -14.246 -4.403 -10.209 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -12.348 -2.913 -11.025 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -11.255 -4.255 -10.750 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -11.801 -5.023 -12.736 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -13.403 -5.251 -12.223 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -12.945 -3.787 -12.953 1.00 1.70 H new ATOM 2907 N LEU B 70 -11.396 -0.206 -8.691 1.00 0.89 N ATOM 2908 CA LEU B 70 -10.043 0.187 -9.068 1.00 0.87 C ATOM 2909 C LEU B 70 -9.295 0.734 -7.857 1.00 0.83 C ATOM 2910 O LEU B 70 -8.081 0.568 -7.743 1.00 0.82 O ATOM 2911 CB LEU B 70 -10.067 1.228 -10.193 1.00 0.91 C ATOM 2912 CG LEU B 70 -8.702 1.528 -10.824 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -8.114 0.276 -11.464 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -8.823 2.642 -11.853 1.00 1.04 C ATOM 0 H LEU B 70 -12.131 0.349 -9.129 1.00 0.89 H new ATOM 0 HA LEU B 70 -9.522 -0.697 -9.435 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -10.744 0.882 -10.974 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -10.481 2.157 -9.800 1.00 0.91 H new ATOM 0 HG LEU B 70 -8.028 1.857 -10.033 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -7.146 0.513 -11.905 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -7.988 -0.496 -10.705 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -8.788 -0.086 -12.241 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -7.845 2.841 -12.290 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -9.516 2.339 -12.638 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -9.195 3.545 -11.369 1.00 1.04 H new ATOM 2926 N TYR B 71 -10.029 1.387 -6.953 1.00 0.84 N ATOM 2927 CA TYR B 71 -9.439 1.927 -5.731 1.00 0.84 C ATOM 2928 C TYR B 71 -8.922 0.777 -4.878 1.00 0.83 C ATOM 2929 O TYR B 71 -7.828 0.841 -4.320 1.00 0.82 O ATOM 2930 CB TYR B 71 -10.462 2.735 -4.923 1.00 0.91 C ATOM 2931 CG TYR B 71 -10.939 4.008 -5.594 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -10.102 4.751 -6.414 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -12.236 4.467 -5.389 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -10.543 5.917 -7.010 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -12.684 5.627 -5.984 1.00 1.09 C ATOM 2936 CZ TYR B 71 -11.836 6.348 -6.792 1.00 1.07 C ATOM 2937 OH TYR B 71 -12.277 7.516 -7.372 1.00 1.19 O ATOM 0 H TYR B 71 -11.031 1.553 -7.046 1.00 0.84 H new ATOM 0 HA TYR B 71 -8.624 2.594 -6.010 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -11.326 2.102 -4.720 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -10.022 2.992 -3.959 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -9.091 4.413 -6.589 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -12.904 3.905 -4.753 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -9.880 6.488 -7.643 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -13.695 5.968 -5.817 1.00 1.09 H new ATOM 0 HH TYR B 71 -11.509 8.031 -7.696 1.00 1.19 H new ATOM 2947 N ASP B 72 -9.731 -0.278 -4.790 1.00 0.86 N ATOM 2948 CA ASP B 72 -9.357 -1.470 -4.032 1.00 0.88 C ATOM 2949 C ASP B 72 -8.098 -2.089 -4.636 1.00 0.85 C ATOM 2950 O ASP B 72 -7.214 -2.557 -3.917 1.00 0.85 O ATOM 2951 CB ASP B 72 -10.508 -2.486 -4.038 1.00 0.95 C ATOM 2952 CG ASP B 72 -10.058 -3.899 -3.709 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -9.790 -4.189 -2.525 1.00 1.31 O ATOM 2954 OD2 ASP B 72 -9.974 -4.723 -4.640 1.00 1.32 O ATOM 0 H ASP B 72 -10.648 -0.331 -5.234 1.00 0.86 H new ATOM 0 HA ASP B 72 -9.153 -1.187 -2.999 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -11.263 -2.174 -3.316 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -10.983 -2.482 -5.019 1.00 0.95 H new ATOM 2959 N SER B 73 -8.007 -2.035 -5.962 1.00 0.84 N ATOM 2960 CA SER B 73 -6.861 -2.583 -6.675 1.00 0.83 C ATOM 2961 C SER B 73 -5.595 -1.794 -6.345 1.00 0.79 C ATOM 2962 O SER B 73 -4.486 -2.319 -6.431 1.00 0.78 O ATOM 2963 CB SER B 73 -7.128 -2.570 -8.179 1.00 0.86 C ATOM 2964 OG SER B 73 -8.370 -3.191 -8.482 1.00 0.91 O ATOM 0 H SER B 73 -8.716 -1.616 -6.564 1.00 0.84 H new ATOM 0 HA SER B 73 -6.709 -3.614 -6.356 1.00 0.83 H new ATOM 0 HB2 SER B 73 -7.133 -1.542 -8.542 1.00 0.86 H new ATOM 0 HB3 SER B 73 -6.322 -3.088 -8.699 1.00 0.86 H new ATOM 0 HG SER B 73 -9.105 -2.609 -8.196 1.00 0.91 H new ATOM 2970 N ALA B 74 -5.764 -0.534 -5.959 1.00 0.79 N ATOM 2971 CA ALA B 74 -4.633 0.302 -5.597 1.00 0.78 C ATOM 2972 C ALA B 74 -4.013 -0.215 -4.308 1.00 0.74 C ATOM 2973 O ALA B 74 -2.792 -0.246 -4.164 1.00 0.72 O ATOM 2974 CB ALA B 74 -5.059 1.756 -5.450 1.00 0.81 C ATOM 0 H ALA B 74 -6.671 -0.073 -5.890 1.00 0.79 H new ATOM 0 HA ALA B 74 -3.888 0.257 -6.392 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -4.195 2.363 -5.179 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -5.470 2.112 -6.395 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -5.817 1.836 -4.671 1.00 0.81 H new ATOM 2980 N LEU B 75 -4.867 -0.643 -3.382 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.408 -1.187 -2.107 1.00 0.76 C ATOM 2982 C LEU B 75 -3.597 -2.461 -2.349 1.00 0.73 C ATOM 2983 O LEU B 75 -2.608 -2.723 -1.665 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.603 -1.478 -1.187 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.304 -1.540 0.324 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -4.707 -2.889 0.709 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -4.371 -0.406 0.741 1.00 1.14 C ATOM 0 H LEU B 75 -5.881 -0.624 -3.491 1.00 0.76 H new ATOM 0 HA LEU B 75 -3.771 -0.451 -1.617 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.359 -0.710 -1.355 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -6.042 -2.429 -1.488 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.249 -1.421 0.855 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.506 -2.905 1.780 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -5.411 -3.683 0.460 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -3.777 -3.044 0.163 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -4.175 -0.471 1.811 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -3.432 -0.488 0.194 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -4.839 0.552 0.516 1.00 1.14 H new ATOM 2999 N SER B 76 -4.020 -3.239 -3.336 1.00 0.75 N ATOM 3000 CA SER B 76 -3.334 -4.474 -3.688 1.00 0.75 C ATOM 3001 C SER B 76 -1.905 -4.177 -4.148 1.00 0.72 C ATOM 3002 O SER B 76 -0.976 -4.940 -3.870 1.00 0.72 O ATOM 3003 CB SER B 76 -4.122 -5.204 -4.776 1.00 0.81 C ATOM 3004 OG SER B 76 -5.522 -5.065 -4.565 1.00 0.91 O ATOM 0 H SER B 76 -4.839 -3.035 -3.909 1.00 0.75 H new ATOM 0 HA SER B 76 -3.274 -5.118 -2.810 1.00 0.75 H new ATOM 0 HB2 SER B 76 -3.856 -4.804 -5.754 1.00 0.81 H new ATOM 0 HB3 SER B 76 -3.853 -6.260 -4.779 1.00 0.81 H new ATOM 0 HG SER B 76 -6.008 -5.538 -5.273 1.00 0.91 H new ATOM 3010 N LYS B 77 -1.734 -3.050 -4.825 1.00 0.72 N ATOM 3011 CA LYS B 77 -0.423 -2.641 -5.303 1.00 0.71 C ATOM 3012 C LYS B 77 0.471 -2.273 -4.127 1.00 0.67 C ATOM 3013 O LYS B 77 1.689 -2.468 -4.170 1.00 0.66 O ATOM 3014 CB LYS B 77 -0.527 -1.450 -6.253 1.00 0.75 C ATOM 3015 CG LYS B 77 -1.198 -1.765 -7.583 1.00 0.93 C ATOM 3016 CD LYS B 77 -0.740 -0.807 -8.673 1.00 1.09 C ATOM 3017 CE LYS B 77 0.656 -1.157 -9.166 1.00 1.34 C ATOM 3018 NZ LYS B 77 1.113 -0.241 -10.240 1.00 1.68 N ATOM 0 H LYS B 77 -2.488 -2.403 -5.055 1.00 0.72 H new ATOM 0 HA LYS B 77 0.011 -3.481 -5.846 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -1.083 -0.654 -5.759 1.00 0.75 H new ATOM 0 HB3 LYS B 77 0.475 -1.066 -6.447 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -0.967 -2.789 -7.876 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -2.280 -1.701 -7.471 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -1.441 -0.840 -9.507 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -0.747 0.213 -8.290 1.00 1.09 H new ATOM 0 HE2 LYS B 77 1.356 -1.115 -8.332 1.00 1.34 H new ATOM 0 HE3 LYS B 77 0.663 -2.182 -9.537 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 2.068 -0.515 -10.547 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 0.460 -0.299 -11.047 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 1.132 0.734 -9.880 1.00 1.68 H new ATOM 3032 N ILE B 78 -0.142 -1.729 -3.080 1.00 0.66 N ATOM 3033 CA ILE B 78 0.591 -1.342 -1.882 1.00 0.64 C ATOM 3034 C ILE B 78 1.179 -2.583 -1.228 1.00 0.63 C ATOM 3035 O ILE B 78 2.341 -2.596 -0.829 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.314 -0.632 -0.850 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -1.241 0.384 -1.525 1.00 0.90 C ATOM 3038 CG2 ILE B 78 0.536 0.037 0.221 1.00 0.79 C ATOM 3039 CD1 ILE B 78 -0.556 1.643 -1.994 1.00 1.15 C ATOM 0 H ILE B 78 -1.145 -1.547 -3.038 1.00 0.66 H new ATOM 0 HA ILE B 78 1.374 -0.648 -2.189 1.00 0.64 H new ATOM 0 HB ILE B 78 -0.945 -1.385 -0.376 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -1.721 -0.093 -2.380 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -2.032 0.655 -0.826 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.113 0.534 0.942 1.00 0.79 H new ATOM 0 HG22 ILE B 78 1.137 -0.716 0.731 1.00 0.79 H new ATOM 0 HG23 ILE B 78 1.193 0.772 -0.243 1.00 0.79 H new ATOM 0 HD11 ILE B 78 -1.288 2.304 -2.459 1.00 1.15 H new ATOM 0 HD12 ILE B 78 -0.100 2.148 -1.142 1.00 1.15 H new ATOM 0 HD13 ILE B 78 0.216 1.388 -2.720 1.00 1.15 H new ATOM 3051 N GLU B 79 0.361 -3.631 -1.152 1.00 0.65 N ATOM 3052 CA GLU B 79 0.770 -4.898 -0.560 1.00 0.67 C ATOM 3053 C GLU B 79 2.000 -5.452 -1.273 1.00 0.67 C ATOM 3054 O GLU B 79 2.940 -5.930 -0.635 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.375 -5.908 -0.635 1.00 0.71 C ATOM 3056 CG GLU B 79 -0.033 -7.266 -0.038 1.00 0.77 C ATOM 3057 CD GLU B 79 -0.180 -8.406 -1.028 1.00 1.10 C ATOM 3058 OE1 GLU B 79 0.515 -8.399 -2.063 1.00 1.74 O ATOM 3059 OE2 GLU B 79 -0.986 -9.324 -0.765 1.00 1.59 O ATOM 0 H GLU B 79 -0.599 -3.624 -1.498 1.00 0.65 H new ATOM 0 HA GLU B 79 1.023 -4.723 0.486 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.242 -5.500 -0.115 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -0.662 -6.041 -1.678 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.992 -7.245 0.333 1.00 0.77 H new ATOM 0 HG3 GLU B 79 -0.679 -7.452 0.820 1.00 0.77 H new ATOM 3066 N LYS B 80 1.989 -5.369 -2.601 1.00 0.67 N ATOM 3067 CA LYS B 80 3.100 -5.855 -3.414 1.00 0.69 C ATOM 3068 C LYS B 80 4.388 -5.125 -3.054 1.00 0.68 C ATOM 3069 O LYS B 80 5.473 -5.707 -3.081 1.00 0.72 O ATOM 3070 CB LYS B 80 2.792 -5.672 -4.902 1.00 0.72 C ATOM 3071 CG LYS B 80 1.673 -6.569 -5.412 1.00 0.79 C ATOM 3072 CD LYS B 80 2.214 -7.843 -6.050 1.00 1.18 C ATOM 3073 CE LYS B 80 2.485 -8.933 -5.023 1.00 1.78 C ATOM 3074 NZ LYS B 80 1.238 -9.401 -4.365 1.00 2.05 N ATOM 0 H LYS B 80 1.220 -4.968 -3.138 1.00 0.67 H new ATOM 0 HA LYS B 80 3.233 -6.917 -3.210 1.00 0.69 H new ATOM 0 HB2 LYS B 80 2.522 -4.632 -5.082 1.00 0.72 H new ATOM 0 HB3 LYS B 80 3.696 -5.871 -5.478 1.00 0.72 H new ATOM 0 HG2 LYS B 80 1.011 -6.829 -4.586 1.00 0.79 H new ATOM 0 HG3 LYS B 80 1.074 -6.024 -6.141 1.00 0.79 H new ATOM 0 HD2 LYS B 80 1.499 -8.210 -6.786 1.00 1.18 H new ATOM 0 HD3 LYS B 80 3.135 -7.615 -6.587 1.00 1.18 H new ATOM 0 HE2 LYS B 80 2.976 -9.776 -5.510 1.00 1.78 H new ATOM 0 HE3 LYS B 80 3.174 -8.556 -4.267 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 1.221 -10.441 -4.353 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 1.205 -9.043 -3.389 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 0.414 -9.048 -4.892 1.00 2.05 H new ATOM 3088 N LEU B 81 4.256 -3.852 -2.704 1.00 0.65 N ATOM 3089 CA LEU B 81 5.403 -3.038 -2.324 1.00 0.67 C ATOM 3090 C LEU B 81 5.958 -3.512 -0.985 1.00 0.68 C ATOM 3091 O LEU B 81 7.172 -3.598 -0.803 1.00 0.72 O ATOM 3092 CB LEU B 81 5.011 -1.555 -2.247 1.00 0.67 C ATOM 3093 CG LEU B 81 6.093 -0.554 -2.679 1.00 0.78 C ATOM 3094 CD1 LEU B 81 7.170 -0.420 -1.614 1.00 1.02 C ATOM 3095 CD2 LEU B 81 6.709 -0.965 -4.010 1.00 0.97 C ATOM 0 H LEU B 81 3.363 -3.360 -2.675 1.00 0.65 H new ATOM 0 HA LEU B 81 6.176 -3.147 -3.084 1.00 0.67 H new ATOM 0 HB2 LEU B 81 4.129 -1.399 -2.869 1.00 0.67 H new ATOM 0 HB3 LEU B 81 4.722 -1.328 -1.221 1.00 0.67 H new ATOM 0 HG LEU B 81 5.617 0.418 -2.805 1.00 0.78 H new ATOM 0 HD11 LEU B 81 7.923 0.295 -1.946 1.00 1.02 H new ATOM 0 HD12 LEU B 81 6.721 -0.069 -0.685 1.00 1.02 H new ATOM 0 HD13 LEU B 81 7.639 -1.390 -1.447 1.00 1.02 H new ATOM 0 HD21 LEU B 81 7.473 -0.242 -4.296 1.00 0.97 H new ATOM 0 HD22 LEU B 81 7.162 -1.952 -3.912 1.00 0.97 H new ATOM 0 HD23 LEU B 81 5.934 -0.996 -4.776 1.00 0.97 H new ATOM 3107 N ILE B 82 5.057 -3.835 -0.058 1.00 0.68 N ATOM 3108 CA ILE B 82 5.452 -4.329 1.258 1.00 0.72 C ATOM 3109 C ILE B 82 6.230 -5.627 1.089 1.00 0.77 C ATOM 3110 O ILE B 82 7.224 -5.875 1.776 1.00 0.81 O ATOM 3111 CB ILE B 82 4.230 -4.588 2.166 1.00 0.72 C ATOM 3112 CG1 ILE B 82 3.245 -3.416 2.082 1.00 0.70 C ATOM 3113 CG2 ILE B 82 4.677 -4.814 3.605 1.00 0.78 C ATOM 3114 CD1 ILE B 82 2.051 -3.545 3.008 1.00 0.72 C ATOM 0 H ILE B 82 4.049 -3.763 -0.195 1.00 0.68 H new ATOM 0 HA ILE B 82 6.069 -3.566 1.733 1.00 0.72 H new ATOM 0 HB ILE B 82 3.722 -5.488 1.820 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.775 -2.492 2.316 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.888 -3.328 1.056 1.00 0.70 H new ATOM 0 HG21 ILE B 82 3.805 -4.995 4.233 1.00 0.78 H new ATOM 0 HG22 ILE B 82 5.341 -5.677 3.648 1.00 0.78 H new ATOM 0 HG23 ILE B 82 5.206 -3.931 3.965 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.403 -2.677 2.889 1.00 0.72 H new ATOM 0 HD12 ILE B 82 1.495 -4.450 2.761 1.00 0.72 H new ATOM 0 HD13 ILE B 82 2.396 -3.601 4.041 1.00 0.72 H new ATOM 3126 N GLU B 83 5.766 -6.441 0.148 1.00 0.78 N ATOM 3127 CA GLU B 83 6.396 -7.711 -0.170 1.00 0.85 C ATOM 3128 C GLU B 83 7.824 -7.481 -0.664 1.00 0.87 C ATOM 3129 O GLU B 83 8.737 -8.231 -0.331 1.00 0.94 O ATOM 3130 CB GLU B 83 5.573 -8.438 -1.241 1.00 0.88 C ATOM 3131 CG GLU B 83 6.242 -9.680 -1.799 1.00 1.11 C ATOM 3132 CD GLU B 83 5.862 -10.935 -1.044 1.00 1.73 C ATOM 3133 OE1 GLU B 83 4.703 -11.386 -1.183 1.00 2.25 O ATOM 3134 OE2 GLU B 83 6.719 -11.479 -0.316 1.00 2.41 O ATOM 0 H GLU B 83 4.941 -6.236 -0.415 1.00 0.78 H new ATOM 0 HA GLU B 83 6.436 -8.327 0.728 1.00 0.85 H new ATOM 0 HB2 GLU B 83 4.609 -8.718 -0.816 1.00 0.88 H new ATOM 0 HB3 GLU B 83 5.372 -7.748 -2.060 1.00 0.88 H new ATOM 0 HG2 GLU B 83 5.969 -9.795 -2.848 1.00 1.11 H new ATOM 0 HG3 GLU B 83 7.324 -9.553 -1.763 1.00 1.11 H new ATOM 3141 N THR B 84 8.014 -6.410 -1.429 1.00 0.83 N ATOM 3142 CA THR B 84 9.324 -6.081 -1.974 1.00 0.87 C ATOM 3143 C THR B 84 10.302 -5.676 -0.869 1.00 0.91 C ATOM 3144 O THR B 84 11.501 -5.955 -0.951 1.00 0.98 O ATOM 3145 CB THR B 84 9.214 -4.948 -3.012 1.00 0.84 C ATOM 3146 OG1 THR B 84 8.074 -5.170 -3.855 1.00 0.84 O ATOM 3147 CG2 THR B 84 10.474 -4.872 -3.864 1.00 0.87 C ATOM 0 H THR B 84 7.275 -5.755 -1.685 1.00 0.83 H new ATOM 0 HA THR B 84 9.708 -6.977 -2.463 1.00 0.87 H new ATOM 0 HB THR B 84 9.097 -4.004 -2.480 1.00 0.84 H new ATOM 0 HG1 THR B 84 7.260 -5.179 -3.309 1.00 0.84 H new ATOM 0 HG21 THR B 84 10.374 -4.065 -4.590 1.00 0.87 H new ATOM 0 HG22 THR B 84 11.335 -4.680 -3.224 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.616 -5.817 -4.389 1.00 0.87 H new ATOM 3155 N LEU B 85 9.776 -5.046 0.173 1.00 0.90 N ATOM 3156 CA LEU B 85 10.595 -4.601 1.298 1.00 0.98 C ATOM 3157 C LEU B 85 11.011 -5.774 2.184 1.00 1.07 C ATOM 3158 O LEU B 85 11.986 -5.682 2.928 1.00 1.22 O ATOM 3159 CB LEU B 85 9.839 -3.563 2.130 1.00 0.97 C ATOM 3160 CG LEU B 85 9.699 -2.187 1.475 1.00 0.91 C ATOM 3161 CD1 LEU B 85 8.569 -1.403 2.123 1.00 1.03 C ATOM 3162 CD2 LEU B 85 11.006 -1.411 1.580 1.00 1.01 C ATOM 0 H LEU B 85 8.783 -4.830 0.265 1.00 0.90 H new ATOM 0 HA LEU B 85 11.498 -4.146 0.890 1.00 0.98 H new ATOM 0 HB2 LEU B 85 8.843 -3.949 2.347 1.00 0.97 H new ATOM 0 HB3 LEU B 85 10.349 -3.444 3.086 1.00 0.97 H new ATOM 0 HG LEU B 85 9.464 -2.331 0.420 1.00 0.91 H new ATOM 0 HD11 LEU B 85 8.483 -0.427 1.646 1.00 1.03 H new ATOM 0 HD12 LEU B 85 7.633 -1.949 2.005 1.00 1.03 H new ATOM 0 HD13 LEU B 85 8.780 -1.270 3.184 1.00 1.03 H new ATOM 0 HD21 LEU B 85 10.888 -0.435 1.109 1.00 1.01 H new ATOM 0 HD22 LEU B 85 11.267 -1.278 2.630 1.00 1.01 H new ATOM 0 HD23 LEU B 85 11.799 -1.964 1.076 1.00 1.01 H new ATOM 3174 N SER B 86 10.276 -6.874 2.096 1.00 1.08 N ATOM 3175 CA SER B 86 10.574 -8.055 2.893 1.00 1.20 C ATOM 3176 C SER B 86 11.284 -9.103 2.040 1.00 1.59 C ATOM 3177 O SER B 86 10.720 -9.595 1.063 1.00 2.11 O ATOM 3178 CB SER B 86 9.282 -8.636 3.476 1.00 1.48 C ATOM 3179 OG SER B 86 8.412 -7.602 3.913 1.00 1.78 O ATOM 0 H SER B 86 9.469 -6.973 1.480 1.00 1.08 H new ATOM 0 HA SER B 86 11.232 -7.768 3.713 1.00 1.20 H new ATOM 0 HB2 SER B 86 8.780 -9.245 2.724 1.00 1.48 H new ATOM 0 HB3 SER B 86 9.519 -9.294 4.312 1.00 1.48 H new ATOM 0 HG SER B 86 8.009 -7.163 3.135 1.00 1.78 H new