USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 LYS NZ :NH3+ 167:sc= 0.96 (180deg=0.261) USER MOD Set 1.2: A 130 GLN : amide:sc= 0.736 K(o=1.7,f=-3.5) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 152:sc= 3.02 (180deg=0.105) USER MOD Set 2.2: A 74 ASN : amide:sc= -1.33 K(o=1.7,f=-8.6!) USER MOD Set 3.1: A 61 ASN : amide:sc= 0.397 K(o=0.82,f=0) USER MOD Set 3.2: A 62 ASN : amide:sc= 0.42 K(o=0.82,f=-1.1) USER MOD Set 4.1: A 60 TYR OH : rot 180:sc= 0.00075 USER MOD Set 4.2: A 68 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.7!) USER MOD Set 5.1: A 37 CYS SG : rot 59:sc= 0.0508 USER MOD Set 5.2: A 41 MET CE :methyl -144:sc= -0.142 (180deg=-0.626) USER MOD Set 5.3: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 5.4: A 79 MET CE :methyl 172:sc= -0.59 (180deg=-0.767) USER MOD Single : A 7 THR OG1 : rot -158:sc= 1.21 USER MOD Single : A 10 GLN : amide:sc= -0.738 K(o=-0.74,f=-3.8!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.21) USER MOD Single : A 15 LYS NZ :NH3+ -130:sc= -1.3! (180deg=-2.69!) USER MOD Single : A 16 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 17 SER OG : rot 65:sc= 0.551 USER MOD Single : A 24 ASN : amide:sc= 0.663 K(o=0.66,f=-0.021) USER MOD Single : A 25 HIS : no HE2:sc= 0.175 K(o=0.18,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 1.91 (180deg=1.52) USER MOD Single : A 36 SER OG : rot 149:sc= 1.27 USER MOD Single : A 39 SER OG : rot -61:sc= 1.61 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 43:sc= 0.378 USER MOD Single : A 55 GLN : amide:sc= -2.29 X(o=-2.3,f=-2.1!) USER MOD Single : A 56 TYR OH : rot 50:sc= -1.19 USER MOD Single : A 64 THR OG1 : rot -49:sc= 0.123 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 77 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.24) USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0411) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.0291 (180deg=-0.896) USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 97 SER OG : rot -34:sc= 0.371 USER MOD Single : A 98 THR OG1 : rot 64:sc= 0.93 USER MOD Single : A 103 LYS NZ :NH3+ 167:sc= -1.1 (180deg=-1.46) USER MOD Single : A 105 SER OG : rot 180:sc= -0.789 USER MOD Single : A 107 THR OG1 : rot -69:sc= 0.919 USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 111 MET CE :methyl -150:sc= -1.12 (180deg=-1.83) USER MOD Single : A 112 GLN :FLIP amide:sc= -2.07! C(o=-4.4!,f=-2.1!) USER MOD Single : A 113 LYS NZ :NH3+ 140:sc= 0.451 (180deg=-0.478) USER MOD Single : A 116 MET CE :methyl 158:sc= -0.499 (180deg=-2.08!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 36:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -4.267 6.736 7.271 1.00 51.05 N ATOM 41 CA GLY A 5 -3.021 7.037 6.631 1.00 4.44 C ATOM 42 C GLY A 5 -3.101 6.769 5.185 1.00 33.25 C ATOM 43 O GLY A 5 -2.545 5.800 4.684 1.00 61.31 O ATOM 0 HA2 GLY A 5 -2.764 8.083 6.798 1.00 4.44 H new ATOM 0 HA3 GLY A 5 -2.225 6.438 7.074 1.00 4.44 H new ATOM 47 N VAL A 6 -3.841 7.576 4.533 1.00 21.53 N ATOM 48 CA VAL A 6 -4.024 7.470 3.131 1.00 22.34 C ATOM 49 C VAL A 6 -3.325 8.667 2.539 1.00 42.31 C ATOM 50 O VAL A 6 -3.149 9.673 3.232 1.00 72.32 O ATOM 51 CB VAL A 6 -5.496 7.582 2.776 1.00 41.34 C ATOM 52 CG1 VAL A 6 -5.781 7.123 1.350 1.00 35.24 C ATOM 53 CG2 VAL A 6 -6.416 6.921 3.790 1.00 60.22 C ATOM 0 H VAL A 6 -4.351 8.348 4.963 1.00 21.53 H new ATOM 0 HA VAL A 6 -3.643 6.517 2.765 1.00 22.34 H new ATOM 0 HB VAL A 6 -5.729 8.646 2.821 1.00 41.34 H new ATOM 0 HG11 VAL A 6 -6.846 7.221 1.142 1.00 35.24 H new ATOM 0 HG12 VAL A 6 -5.216 7.739 0.650 1.00 35.24 H new ATOM 0 HG13 VAL A 6 -5.484 6.080 1.237 1.00 35.24 H new ATOM 0 HG21 VAL A 6 -7.452 7.040 3.473 1.00 60.22 H new ATOM 0 HG22 VAL A 6 -6.177 5.860 3.860 1.00 60.22 H new ATOM 0 HG23 VAL A 6 -6.279 7.389 4.765 1.00 60.22 H new ATOM 63 N THR A 7 -2.942 8.588 1.318 1.00 14.10 N ATOM 64 CA THR A 7 -2.281 9.678 0.694 1.00 35.44 C ATOM 65 C THR A 7 -3.197 10.316 -0.389 1.00 24.43 C ATOM 66 O THR A 7 -4.212 9.697 -0.830 1.00 41.15 O ATOM 67 CB THR A 7 -0.931 9.216 0.123 1.00 41.34 C ATOM 68 OG1 THR A 7 -0.196 10.338 -0.356 1.00 11.41 O ATOM 69 CG2 THR A 7 -1.156 8.190 -0.972 1.00 60.42 C ATOM 0 H THR A 7 -3.076 7.770 0.723 1.00 14.10 H new ATOM 0 HA THR A 7 -2.074 10.452 1.433 1.00 35.44 H new ATOM 0 HB THR A 7 -0.345 8.743 0.911 1.00 41.34 H new ATOM 0 HG1 THR A 7 0.469 10.038 -1.011 1.00 11.41 H new ATOM 0 HG21 THR A 7 -0.195 7.868 -1.372 1.00 60.42 H new ATOM 0 HG22 THR A 7 -1.685 7.330 -0.562 1.00 60.42 H new ATOM 0 HG23 THR A 7 -1.750 8.634 -1.771 1.00 60.42 H new ATOM 77 N ALA A 8 -2.815 11.498 -0.850 1.00 3.54 N ATOM 78 CA ALA A 8 -3.617 12.284 -1.779 1.00 71.32 C ATOM 79 C ALA A 8 -3.719 11.591 -3.124 1.00 4.14 C ATOM 80 O ALA A 8 -4.764 11.629 -3.777 1.00 32.24 O ATOM 81 CB ALA A 8 -3.035 13.681 -1.934 1.00 51.25 C ATOM 0 H ALA A 8 -1.935 11.942 -0.589 1.00 3.54 H new ATOM 0 HA ALA A 8 -4.623 12.375 -1.370 1.00 71.32 H new ATOM 0 HB1 ALA A 8 -3.646 14.254 -2.631 1.00 51.25 H new ATOM 0 HB2 ALA A 8 -3.024 14.180 -0.965 1.00 51.25 H new ATOM 0 HB3 ALA A 8 -2.017 13.611 -2.317 1.00 51.25 H new ATOM 87 N GLU A 9 -2.630 10.962 -3.524 1.00 33.21 N ATOM 88 CA GLU A 9 -2.569 10.187 -4.749 1.00 1.23 C ATOM 89 C GLU A 9 -3.621 9.094 -4.704 1.00 44.44 C ATOM 90 O GLU A 9 -4.340 8.865 -5.686 1.00 31.20 O ATOM 91 CB GLU A 9 -1.184 9.519 -4.967 1.00 1.54 C ATOM 92 CG GLU A 9 0.040 10.428 -4.827 1.00 53.23 C ATOM 93 CD GLU A 9 0.322 10.773 -3.388 1.00 3.14 C ATOM 94 OE1 GLU A 9 0.963 9.970 -2.702 1.00 15.31 O ATOM 95 OE2 GLU A 9 -0.178 11.798 -2.909 1.00 52.51 O ATOM 0 H GLU A 9 -1.754 10.975 -3.002 1.00 33.21 H new ATOM 0 HA GLU A 9 -2.745 10.879 -5.573 1.00 1.23 H new ATOM 0 HB2 GLU A 9 -1.084 8.700 -4.255 1.00 1.54 H new ATOM 0 HB3 GLU A 9 -1.170 9.079 -5.964 1.00 1.54 H new ATOM 0 HG2 GLU A 9 0.910 9.934 -5.259 1.00 53.23 H new ATOM 0 HG3 GLU A 9 -0.121 11.344 -5.395 1.00 53.23 H new ATOM 102 N GLN A 10 -3.769 8.449 -3.536 1.00 54.45 N ATOM 103 CA GLN A 10 -4.717 7.373 -3.439 1.00 73.45 C ATOM 104 C GLN A 10 -6.062 7.910 -3.568 1.00 54.44 C ATOM 105 O GLN A 10 -6.860 7.343 -4.274 1.00 12.32 O ATOM 106 CB GLN A 10 -4.663 6.563 -2.181 1.00 75.24 C ATOM 107 CG GLN A 10 -5.325 5.232 -2.420 1.00 22.13 C ATOM 108 CD GLN A 10 -4.991 4.183 -1.376 1.00 11.25 C ATOM 109 OE1 GLN A 10 -4.748 4.492 -0.225 1.00 33.41 O ATOM 110 NE2 GLN A 10 -4.951 2.938 -1.780 1.00 3.23 N ATOM 0 H GLN A 10 -3.254 8.658 -2.681 1.00 54.45 H new ATOM 0 HA GLN A 10 -4.446 6.692 -4.246 1.00 73.45 H new ATOM 0 HB2 GLN A 10 -3.628 6.417 -1.872 1.00 75.24 H new ATOM 0 HB3 GLN A 10 -5.166 7.092 -1.372 1.00 75.24 H new ATOM 0 HG2 GLN A 10 -6.405 5.374 -2.445 1.00 22.13 H new ATOM 0 HG3 GLN A 10 -5.029 4.861 -3.401 1.00 22.13 H new ATOM 0 HE21 GLN A 10 -5.160 2.710 -2.752 1.00 3.23 H new ATOM 0 HE22 GLN A 10 -4.711 2.196 -1.123 1.00 3.23 H new ATOM 119 N MET A 11 -6.307 9.043 -2.920 1.00 65.44 N ATOM 120 CA MET A 11 -7.598 9.720 -3.028 1.00 60.11 C ATOM 121 C MET A 11 -8.000 9.986 -4.476 1.00 20.35 C ATOM 122 O MET A 11 -9.158 10.236 -4.746 1.00 14.22 O ATOM 123 CB MET A 11 -7.687 11.013 -2.208 1.00 4.01 C ATOM 124 CG MET A 11 -8.337 10.868 -0.841 1.00 33.42 C ATOM 125 SD MET A 11 -7.468 9.766 0.262 1.00 22.35 S ATOM 126 CE MET A 11 -8.529 9.851 1.702 1.00 60.12 C ATOM 0 H MET A 11 -5.633 9.512 -2.316 1.00 65.44 H new ATOM 0 HA MET A 11 -8.311 9.017 -2.596 1.00 60.11 H new ATOM 0 HB2 MET A 11 -6.681 11.410 -2.074 1.00 4.01 H new ATOM 0 HB3 MET A 11 -8.247 11.751 -2.782 1.00 4.01 H new ATOM 0 HG2 MET A 11 -8.405 11.852 -0.376 1.00 33.42 H new ATOM 0 HG3 MET A 11 -9.357 10.506 -0.971 1.00 33.42 H new ATOM 0 HE1 MET A 11 -8.125 9.215 2.489 1.00 60.12 H new ATOM 0 HE2 MET A 11 -8.579 10.880 2.057 1.00 60.12 H new ATOM 0 HE3 MET A 11 -9.530 9.510 1.437 1.00 60.12 H new ATOM 136 N GLN A 12 -7.041 9.958 -5.389 1.00 64.42 N ATOM 137 CA GLN A 12 -7.354 10.103 -6.772 1.00 0.30 C ATOM 138 C GLN A 12 -7.504 8.719 -7.431 1.00 21.13 C ATOM 139 O GLN A 12 -8.477 8.476 -8.129 1.00 62.23 O ATOM 140 CB GLN A 12 -6.282 10.920 -7.495 1.00 0.20 C ATOM 141 CG GLN A 12 -6.649 11.273 -8.930 1.00 41.51 C ATOM 142 CD GLN A 12 -7.859 12.192 -9.008 1.00 63.24 C ATOM 143 OE1 GLN A 12 -9.000 11.753 -9.080 1.00 12.24 O ATOM 144 NE2 GLN A 12 -7.613 13.476 -8.992 1.00 40.04 N ATOM 0 H GLN A 12 -6.050 9.836 -5.183 1.00 64.42 H new ATOM 0 HA GLN A 12 -8.300 10.639 -6.852 1.00 0.30 H new ATOM 0 HB2 GLN A 12 -6.101 11.840 -6.938 1.00 0.20 H new ATOM 0 HB3 GLN A 12 -5.348 10.358 -7.495 1.00 0.20 H new ATOM 0 HG2 GLN A 12 -5.798 11.755 -9.412 1.00 41.51 H new ATOM 0 HG3 GLN A 12 -6.854 10.358 -9.486 1.00 41.51 H new ATOM 0 HE21 GLN A 12 -6.651 13.810 -8.931 1.00 40.04 H new ATOM 0 HE22 GLN A 12 -8.383 14.143 -9.040 1.00 40.04 H new ATOM 153 N GLU A 13 -6.605 7.766 -7.109 1.00 2.14 N ATOM 154 CA GLU A 13 -6.596 6.506 -7.852 1.00 2.33 C ATOM 155 C GLU A 13 -7.688 5.593 -7.349 1.00 14.42 C ATOM 156 O GLU A 13 -8.465 5.063 -8.107 1.00 11.53 O ATOM 157 CB GLU A 13 -5.220 5.828 -7.779 1.00 23.44 C ATOM 158 CG GLU A 13 -5.123 4.514 -8.558 1.00 3.13 C ATOM 159 CD GLU A 13 -5.515 4.667 -10.024 1.00 12.04 C ATOM 160 OE1 GLU A 13 -4.701 5.185 -10.810 1.00 52.04 O ATOM 161 OE2 GLU A 13 -6.655 4.276 -10.385 1.00 75.33 O ATOM 0 H GLU A 13 -5.906 7.844 -6.370 1.00 2.14 H new ATOM 0 HA GLU A 13 -6.793 6.724 -8.902 1.00 2.33 H new ATOM 0 HB2 GLU A 13 -4.467 6.519 -8.159 1.00 23.44 H new ATOM 0 HB3 GLU A 13 -4.978 5.636 -6.734 1.00 23.44 H new ATOM 0 HG2 GLU A 13 -4.103 4.135 -8.497 1.00 3.13 H new ATOM 0 HG3 GLU A 13 -5.768 3.771 -8.090 1.00 3.13 H new ATOM 168 N PHE A 14 -7.814 5.522 -6.054 1.00 73.12 N ATOM 169 CA PHE A 14 -8.792 4.677 -5.413 1.00 22.41 C ATOM 170 C PHE A 14 -10.188 5.201 -5.741 1.00 33.11 C ATOM 171 O PHE A 14 -11.169 4.440 -5.837 1.00 1.20 O ATOM 172 CB PHE A 14 -8.465 4.629 -3.919 1.00 15.20 C ATOM 173 CG PHE A 14 -9.378 5.325 -3.043 1.00 42.05 C ATOM 174 CD1 PHE A 14 -10.480 4.702 -2.630 1.00 55.33 C ATOM 175 CD2 PHE A 14 -9.129 6.588 -2.638 1.00 61.25 C ATOM 176 CE1 PHE A 14 -11.344 5.295 -1.832 1.00 54.23 C ATOM 177 CE2 PHE A 14 -9.981 7.228 -1.827 1.00 51.31 C ATOM 178 CZ PHE A 14 -11.107 6.593 -1.409 1.00 54.21 C ATOM 0 H PHE A 14 -7.236 6.054 -5.403 1.00 73.12 H new ATOM 0 HA PHE A 14 -8.766 3.650 -5.776 1.00 22.41 H new ATOM 0 HB2 PHE A 14 -8.424 3.584 -3.611 1.00 15.20 H new ATOM 0 HB3 PHE A 14 -7.468 5.044 -3.773 1.00 15.20 H new ATOM 0 HD1 PHE A 14 -10.669 3.690 -2.956 1.00 55.33 H new ATOM 0 HD2 PHE A 14 -8.232 7.088 -2.972 1.00 61.25 H new ATOM 0 HE1 PHE A 14 -12.232 4.772 -1.509 1.00 54.23 H new ATOM 0 HE2 PHE A 14 -9.775 8.239 -1.508 1.00 51.31 H new ATOM 0 HZ PHE A 14 -11.807 7.093 -0.756 1.00 54.21 H new ATOM 188 N LYS A 15 -10.237 6.492 -5.988 1.00 60.33 N ATOM 189 CA LYS A 15 -11.418 7.155 -6.423 1.00 13.10 C ATOM 190 C LYS A 15 -11.760 6.653 -7.820 1.00 23.43 C ATOM 191 O LYS A 15 -12.876 6.286 -8.074 1.00 43.54 O ATOM 192 CB LYS A 15 -11.188 8.682 -6.326 1.00 14.31 C ATOM 193 CG LYS A 15 -12.301 9.636 -6.794 1.00 0.20 C ATOM 194 CD LYS A 15 -12.331 9.828 -8.306 1.00 3.11 C ATOM 195 CE LYS A 15 -13.334 10.907 -8.711 1.00 33.52 C ATOM 196 NZ LYS A 15 -14.723 10.569 -8.319 1.00 20.24 N ATOM 0 H LYS A 15 -9.433 7.111 -5.886 1.00 60.33 H new ATOM 0 HA LYS A 15 -12.282 6.936 -5.795 1.00 13.10 H new ATOM 0 HB2 LYS A 15 -10.971 8.916 -5.284 1.00 14.31 H new ATOM 0 HB3 LYS A 15 -10.291 8.917 -6.899 1.00 14.31 H new ATOM 0 HG2 LYS A 15 -13.265 9.249 -6.464 1.00 0.20 H new ATOM 0 HG3 LYS A 15 -12.166 10.605 -6.314 1.00 0.20 H new ATOM 0 HD2 LYS A 15 -11.337 10.102 -8.659 1.00 3.11 H new ATOM 0 HD3 LYS A 15 -12.592 8.886 -8.789 1.00 3.11 H new ATOM 0 HE2 LYS A 15 -13.050 11.853 -8.250 1.00 33.52 H new ATOM 0 HE3 LYS A 15 -13.290 11.052 -9.790 1.00 33.52 H new ATOM 0 HZ1 LYS A 15 -15.353 10.688 -9.137 1.00 20.24 H new ATOM 0 HZ2 LYS A 15 -14.761 9.582 -7.993 1.00 20.24 H new ATOM 0 HZ3 LYS A 15 -15.030 11.199 -7.551 1.00 20.24 H new ATOM 210 N GLN A 16 -10.748 6.508 -8.658 1.00 62.15 N ATOM 211 CA GLN A 16 -10.918 6.006 -10.015 1.00 13.33 C ATOM 212 C GLN A 16 -11.327 4.536 -9.963 1.00 43.05 C ATOM 213 O GLN A 16 -12.174 4.075 -10.745 1.00 20.10 O ATOM 214 CB GLN A 16 -9.608 6.174 -10.781 1.00 63.22 C ATOM 215 CG GLN A 16 -9.303 7.607 -11.202 1.00 2.43 C ATOM 216 CD GLN A 16 -7.820 7.861 -11.471 1.00 34.33 C ATOM 217 OE1 GLN A 16 -7.350 8.992 -11.364 1.00 42.34 O ATOM 218 NE2 GLN A 16 -7.063 6.820 -11.698 1.00 2.31 N ATOM 0 H GLN A 16 -9.783 6.735 -8.418 1.00 62.15 H new ATOM 0 HA GLN A 16 -11.699 6.568 -10.528 1.00 13.33 H new ATOM 0 HB2 GLN A 16 -8.789 5.809 -10.161 1.00 63.22 H new ATOM 0 HB3 GLN A 16 -9.639 5.546 -11.671 1.00 63.22 H new ATOM 0 HG2 GLN A 16 -9.873 7.842 -12.101 1.00 2.43 H new ATOM 0 HG3 GLN A 16 -9.644 8.287 -10.421 1.00 2.43 H new ATOM 0 HE21 GLN A 16 -7.482 5.894 -11.782 1.00 2.31 H new ATOM 0 HE22 GLN A 16 -6.054 6.934 -11.791 1.00 2.31 H new ATOM 227 N SER A 17 -10.741 3.824 -9.009 1.00 34.15 N ATOM 228 CA SER A 17 -11.021 2.427 -8.777 1.00 0.14 C ATOM 229 C SER A 17 -12.515 2.206 -8.462 1.00 61.44 C ATOM 230 O SER A 17 -13.123 1.256 -8.968 1.00 42.35 O ATOM 231 CB SER A 17 -10.154 1.899 -7.638 1.00 24.41 C ATOM 232 OG SER A 17 -8.770 2.178 -7.856 1.00 21.14 O ATOM 0 H SER A 17 -10.049 4.214 -8.369 1.00 34.15 H new ATOM 0 HA SER A 17 -10.784 1.876 -9.687 1.00 0.14 H new ATOM 0 HB2 SER A 17 -10.473 2.350 -6.698 1.00 24.41 H new ATOM 0 HB3 SER A 17 -10.298 0.823 -7.540 1.00 24.41 H new ATOM 0 HG SER A 17 -8.627 3.147 -7.850 1.00 21.14 H new ATOM 238 N PHE A 18 -13.115 3.065 -7.621 1.00 54.12 N ATOM 239 CA PHE A 18 -14.542 2.919 -7.391 1.00 15.00 C ATOM 240 C PHE A 18 -15.374 3.515 -8.525 1.00 34.10 C ATOM 241 O PHE A 18 -16.319 2.896 -8.964 1.00 75.24 O ATOM 242 CB PHE A 18 -15.038 3.383 -5.990 1.00 75.42 C ATOM 243 CG PHE A 18 -14.790 4.788 -5.548 1.00 2.11 C ATOM 244 CD1 PHE A 18 -15.451 5.855 -6.124 1.00 61.13 C ATOM 245 CD2 PHE A 18 -13.925 5.033 -4.508 1.00 40.05 C ATOM 246 CE1 PHE A 18 -15.231 7.131 -5.681 1.00 0.20 C ATOM 247 CE2 PHE A 18 -13.708 6.307 -4.063 1.00 62.24 C ATOM 248 CZ PHE A 18 -14.358 7.353 -4.654 1.00 11.44 C ATOM 0 H PHE A 18 -12.656 3.825 -7.119 1.00 54.12 H new ATOM 0 HA PHE A 18 -14.705 1.841 -7.390 1.00 15.00 H new ATOM 0 HB2 PHE A 18 -16.114 3.214 -5.953 1.00 75.42 H new ATOM 0 HB3 PHE A 18 -14.586 2.723 -5.249 1.00 75.42 H new ATOM 0 HD1 PHE A 18 -16.147 5.681 -6.931 1.00 61.13 H new ATOM 0 HD2 PHE A 18 -13.411 4.209 -4.037 1.00 40.05 H new ATOM 0 HE1 PHE A 18 -15.746 7.961 -6.142 1.00 0.20 H new ATOM 0 HE2 PHE A 18 -13.024 6.486 -3.246 1.00 62.24 H new ATOM 0 HZ PHE A 18 -14.181 8.360 -4.308 1.00 11.44 H new ATOM 258 N ASP A 19 -14.956 4.683 -9.015 1.00 0.54 N ATOM 259 CA ASP A 19 -15.633 5.463 -10.103 1.00 51.32 C ATOM 260 C ASP A 19 -15.863 4.669 -11.358 1.00 73.22 C ATOM 261 O ASP A 19 -16.813 4.917 -12.086 1.00 12.10 O ATOM 262 CB ASP A 19 -14.786 6.655 -10.481 1.00 3.14 C ATOM 263 CG ASP A 19 -15.158 7.945 -9.796 1.00 12.51 C ATOM 264 OD1 ASP A 19 -15.219 7.999 -8.562 1.00 11.41 O ATOM 265 OD2 ASP A 19 -15.306 8.979 -10.468 1.00 21.42 O ATOM 0 H ASP A 19 -14.114 5.143 -8.669 1.00 0.54 H new ATOM 0 HA ASP A 19 -16.601 5.755 -9.697 1.00 51.32 H new ATOM 0 HB2 ASP A 19 -13.744 6.428 -10.254 1.00 3.14 H new ATOM 0 HB3 ASP A 19 -14.853 6.802 -11.559 1.00 3.14 H new ATOM 270 N ALA A 20 -14.951 3.753 -11.647 1.00 22.10 N ATOM 271 CA ALA A 20 -15.081 2.884 -12.808 1.00 64.31 C ATOM 272 C ALA A 20 -16.401 2.102 -12.763 1.00 14.04 C ATOM 273 O ALA A 20 -16.984 1.781 -13.792 1.00 72.14 O ATOM 274 CB ALA A 20 -13.897 1.923 -12.866 1.00 43.14 C ATOM 0 H ALA A 20 -14.110 3.592 -11.092 1.00 22.10 H new ATOM 0 HA ALA A 20 -15.087 3.502 -13.706 1.00 64.31 H new ATOM 0 HB1 ALA A 20 -13.997 1.274 -13.736 1.00 43.14 H new ATOM 0 HB2 ALA A 20 -12.970 2.492 -12.942 1.00 43.14 H new ATOM 0 HB3 ALA A 20 -13.876 1.316 -11.961 1.00 43.14 H new ATOM 280 N PHE A 21 -16.820 1.785 -11.559 1.00 31.40 N ATOM 281 CA PHE A 21 -18.040 1.049 -11.304 1.00 13.54 C ATOM 282 C PHE A 21 -19.164 1.987 -10.832 1.00 3.52 C ATOM 283 O PHE A 21 -20.248 2.046 -11.407 1.00 0.50 O ATOM 284 CB PHE A 21 -17.746 -0.043 -10.268 1.00 0.22 C ATOM 285 CG PHE A 21 -16.738 -1.042 -10.764 1.00 51.04 C ATOM 286 CD1 PHE A 21 -17.137 -2.125 -11.526 1.00 24.40 C ATOM 287 CD2 PHE A 21 -15.386 -0.881 -10.492 1.00 62.33 C ATOM 288 CE1 PHE A 21 -16.210 -3.029 -12.006 1.00 55.21 C ATOM 289 CE2 PHE A 21 -14.457 -1.782 -10.966 1.00 24.20 C ATOM 290 CZ PHE A 21 -14.868 -2.858 -11.724 1.00 41.24 C ATOM 0 H PHE A 21 -16.312 2.036 -10.711 1.00 31.40 H new ATOM 0 HA PHE A 21 -18.388 0.584 -12.227 1.00 13.54 H new ATOM 0 HB2 PHE A 21 -17.377 0.418 -9.352 1.00 0.22 H new ATOM 0 HB3 PHE A 21 -18.672 -0.559 -10.015 1.00 0.22 H new ATOM 0 HD1 PHE A 21 -18.185 -2.265 -11.748 1.00 24.40 H new ATOM 0 HD2 PHE A 21 -15.058 -0.039 -9.901 1.00 62.33 H new ATOM 0 HE1 PHE A 21 -16.534 -3.870 -12.602 1.00 55.21 H new ATOM 0 HE2 PHE A 21 -13.409 -1.645 -10.744 1.00 24.20 H new ATOM 0 HZ PHE A 21 -14.142 -3.566 -12.097 1.00 41.24 H new ATOM 300 N ASP A 22 -18.861 2.751 -9.806 1.00 21.31 N ATOM 301 CA ASP A 22 -19.825 3.614 -9.155 1.00 44.33 C ATOM 302 C ASP A 22 -19.969 4.923 -9.883 1.00 53.33 C ATOM 303 O ASP A 22 -19.003 5.639 -10.102 1.00 4.44 O ATOM 304 CB ASP A 22 -19.417 3.878 -7.715 1.00 54.13 C ATOM 305 CG ASP A 22 -20.419 4.735 -6.969 1.00 14.44 C ATOM 306 OD1 ASP A 22 -20.331 5.961 -7.043 1.00 11.03 O ATOM 307 OD2 ASP A 22 -21.329 4.185 -6.324 1.00 20.14 O ATOM 0 H ASP A 22 -17.928 2.792 -9.395 1.00 21.31 H new ATOM 0 HA ASP A 22 -20.786 3.100 -9.171 1.00 44.33 H new ATOM 0 HB2 ASP A 22 -19.301 2.927 -7.195 1.00 54.13 H new ATOM 0 HB3 ASP A 22 -18.444 4.370 -7.702 1.00 54.13 H new ATOM 312 N GLY A 23 -21.188 5.245 -10.221 1.00 41.24 N ATOM 313 CA GLY A 23 -21.446 6.457 -10.940 1.00 15.21 C ATOM 314 C GLY A 23 -21.810 7.624 -10.043 1.00 52.03 C ATOM 315 O GLY A 23 -22.079 8.722 -10.544 1.00 55.02 O ATOM 0 H GLY A 23 -22.014 4.685 -10.010 1.00 41.24 H new ATOM 0 HA2 GLY A 23 -20.564 6.719 -11.524 1.00 15.21 H new ATOM 0 HA3 GLY A 23 -22.257 6.285 -11.647 1.00 15.21 H new ATOM 319 N ASN A 24 -21.798 7.426 -8.727 1.00 21.24 N ATOM 320 CA ASN A 24 -22.181 8.504 -7.818 1.00 54.51 C ATOM 321 C ASN A 24 -20.959 9.325 -7.526 1.00 2.41 C ATOM 322 O ASN A 24 -21.062 10.499 -7.206 1.00 1.31 O ATOM 323 CB ASN A 24 -22.731 7.968 -6.473 1.00 54.15 C ATOM 324 CG ASN A 24 -23.891 7.000 -6.606 1.00 62.25 C ATOM 325 OD1 ASN A 24 -25.046 7.403 -6.697 1.00 65.34 O ATOM 326 ND2 ASN A 24 -23.605 5.716 -6.560 1.00 55.32 N ATOM 0 H ASN A 24 -21.534 6.551 -8.274 1.00 21.24 H new ATOM 0 HA ASN A 24 -22.966 9.088 -8.298 1.00 54.51 H new ATOM 0 HB2 ASN A 24 -21.922 7.473 -5.936 1.00 54.15 H new ATOM 0 HB3 ASN A 24 -23.049 8.813 -5.863 1.00 54.15 H new ATOM 0 HD21 ASN A 24 -24.354 5.025 -6.600 1.00 55.32 H new ATOM 0 HD22 ASN A 24 -22.634 5.412 -6.484 1.00 55.32 H new ATOM 333 N HIS A 25 -19.783 8.675 -7.696 1.00 43.13 N ATOM 334 CA HIS A 25 -18.420 9.274 -7.614 1.00 52.54 C ATOM 335 C HIS A 25 -18.198 10.211 -6.395 1.00 54.31 C ATOM 336 O HIS A 25 -17.246 11.015 -6.377 1.00 65.12 O ATOM 337 CB HIS A 25 -18.021 9.949 -8.964 1.00 11.23 C ATOM 338 CG HIS A 25 -18.870 11.112 -9.431 1.00 65.44 C ATOM 339 ND1 HIS A 25 -20.017 10.978 -10.192 1.00 31.15 N ATOM 340 CD2 HIS A 25 -18.698 12.444 -9.254 1.00 41.11 C ATOM 341 CE1 HIS A 25 -20.487 12.198 -10.448 1.00 25.35 C ATOM 342 NE2 HIS A 25 -19.724 13.129 -9.901 1.00 22.31 N ATOM 0 H HIS A 25 -19.752 7.677 -7.903 1.00 43.13 H new ATOM 0 HA HIS A 25 -17.741 8.440 -7.436 1.00 52.54 H new ATOM 0 HB2 HIS A 25 -16.991 10.295 -8.878 1.00 11.23 H new ATOM 0 HB3 HIS A 25 -18.036 9.185 -9.742 1.00 11.23 H new ATOM 0 HD1 HIS A 25 -20.431 10.099 -10.503 1.00 31.15 H new ATOM 0 HD2 HIS A 25 -17.893 12.902 -8.699 1.00 41.11 H new ATOM 0 HE1 HIS A 25 -21.376 12.400 -11.027 1.00 25.35 H new ATOM 350 N ASP A 26 -18.997 9.984 -5.360 1.00 4.22 N ATOM 351 CA ASP A 26 -19.082 10.808 -4.123 1.00 51.24 C ATOM 352 C ASP A 26 -17.838 10.695 -3.240 1.00 12.25 C ATOM 353 O ASP A 26 -17.470 11.619 -2.523 1.00 15.10 O ATOM 354 CB ASP A 26 -20.330 10.352 -3.340 1.00 61.14 C ATOM 355 CG ASP A 26 -20.484 10.989 -1.967 1.00 63.33 C ATOM 356 OD1 ASP A 26 -21.111 12.061 -1.873 1.00 23.25 O ATOM 357 OD2 ASP A 26 -20.010 10.377 -0.980 1.00 21.21 O ATOM 0 H ASP A 26 -19.638 9.191 -5.342 1.00 4.22 H new ATOM 0 HA ASP A 26 -19.151 11.857 -4.412 1.00 51.24 H new ATOM 0 HB2 ASP A 26 -21.217 10.578 -3.932 1.00 61.14 H new ATOM 0 HB3 ASP A 26 -20.293 9.269 -3.222 1.00 61.14 H new ATOM 362 N GLY A 27 -17.126 9.623 -3.401 1.00 13.21 N ATOM 363 CA GLY A 27 -16.032 9.333 -2.508 1.00 24.54 C ATOM 364 C GLY A 27 -16.351 8.123 -1.695 1.00 52.24 C ATOM 365 O GLY A 27 -15.501 7.582 -0.977 1.00 23.42 O ATOM 0 H GLY A 27 -17.276 8.933 -4.137 1.00 13.21 H new ATOM 0 HA2 GLY A 27 -15.118 9.168 -3.079 1.00 24.54 H new ATOM 0 HA3 GLY A 27 -15.849 10.185 -1.853 1.00 24.54 H new ATOM 369 N ILE A 28 -17.576 7.691 -1.810 1.00 21.41 N ATOM 370 CA ILE A 28 -18.012 6.480 -1.197 1.00 53.35 C ATOM 371 C ILE A 28 -18.626 5.606 -2.305 1.00 3.01 C ATOM 372 O ILE A 28 -18.906 6.109 -3.393 1.00 15.02 O ATOM 373 CB ILE A 28 -19.084 6.729 -0.075 1.00 63.13 C ATOM 374 CG1 ILE A 28 -20.434 7.163 -0.689 1.00 52.13 C ATOM 375 CG2 ILE A 28 -18.596 7.811 0.898 1.00 55.02 C ATOM 376 CD1 ILE A 28 -21.557 7.326 0.320 1.00 33.30 C ATOM 0 H ILE A 28 -18.301 8.178 -2.337 1.00 21.41 H new ATOM 0 HA ILE A 28 -17.160 5.997 -0.718 1.00 53.35 H new ATOM 0 HB ILE A 28 -19.227 5.793 0.465 1.00 63.13 H new ATOM 0 HG12 ILE A 28 -20.294 8.108 -1.214 1.00 52.13 H new ATOM 0 HG13 ILE A 28 -20.735 6.426 -1.434 1.00 52.13 H new ATOM 0 HG21 ILE A 28 -19.349 7.973 1.670 1.00 55.02 H new ATOM 0 HG22 ILE A 28 -17.664 7.489 1.362 1.00 55.02 H new ATOM 0 HG23 ILE A 28 -18.428 8.741 0.354 1.00 55.02 H new ATOM 0 HD11 ILE A 28 -22.468 7.632 -0.195 1.00 33.30 H new ATOM 0 HD12 ILE A 28 -21.729 6.378 0.829 1.00 33.30 H new ATOM 0 HD13 ILE A 28 -21.281 8.086 1.052 1.00 33.30 H new ATOM 388 N LEU A 29 -18.792 4.329 -2.047 1.00 34.13 N ATOM 389 CA LEU A 29 -19.386 3.431 -3.001 1.00 24.43 C ATOM 390 C LEU A 29 -20.495 2.598 -2.290 1.00 55.01 C ATOM 391 O LEU A 29 -20.383 2.285 -1.086 1.00 41.43 O ATOM 392 CB LEU A 29 -18.278 2.501 -3.545 1.00 12.03 C ATOM 393 CG LEU A 29 -18.402 1.998 -4.986 1.00 3.03 C ATOM 394 CD1 LEU A 29 -17.299 1.045 -5.310 1.00 31.10 C ATOM 395 CD2 LEU A 29 -19.693 1.325 -5.247 1.00 33.31 C ATOM 0 H LEU A 29 -18.518 3.887 -1.169 1.00 34.13 H new ATOM 0 HA LEU A 29 -19.836 3.982 -3.827 1.00 24.43 H new ATOM 0 HB2 LEU A 29 -17.328 3.027 -3.456 1.00 12.03 H new ATOM 0 HB3 LEU A 29 -18.223 1.630 -2.891 1.00 12.03 H new ATOM 0 HG LEU A 29 -18.340 2.883 -5.620 1.00 3.03 H new ATOM 0 HD11 LEU A 29 -17.407 0.700 -6.338 1.00 31.10 H new ATOM 0 HD12 LEU A 29 -16.339 1.547 -5.194 1.00 31.10 H new ATOM 0 HD13 LEU A 29 -17.346 0.191 -4.634 1.00 31.10 H new ATOM 0 HD21 LEU A 29 -19.725 0.989 -6.284 1.00 33.31 H new ATOM 0 HD22 LEU A 29 -19.796 0.466 -4.584 1.00 33.31 H new ATOM 0 HD23 LEU A 29 -20.510 2.023 -5.066 1.00 33.31 H new ATOM 407 N ASP A 30 -21.545 2.274 -3.023 1.00 42.41 N ATOM 408 CA ASP A 30 -22.638 1.398 -2.553 1.00 52.52 C ATOM 409 C ASP A 30 -22.240 -0.116 -2.612 1.00 74.23 C ATOM 410 O ASP A 30 -21.277 -0.502 -3.309 1.00 54.54 O ATOM 411 CB ASP A 30 -23.913 1.661 -3.392 1.00 63.21 C ATOM 412 CG ASP A 30 -24.979 0.611 -3.175 1.00 54.51 C ATOM 413 OD1 ASP A 30 -25.567 0.576 -2.091 1.00 14.22 O ATOM 414 OD2 ASP A 30 -25.148 -0.245 -4.057 1.00 23.42 O ATOM 0 H ASP A 30 -21.678 2.609 -3.977 1.00 42.41 H new ATOM 0 HA ASP A 30 -22.837 1.635 -1.508 1.00 52.52 H new ATOM 0 HB2 ASP A 30 -24.316 2.641 -3.136 1.00 63.21 H new ATOM 0 HB3 ASP A 30 -23.648 1.691 -4.449 1.00 63.21 H new ATOM 419 N LYS A 31 -23.001 -0.965 -1.903 1.00 43.22 N ATOM 420 CA LYS A 31 -22.748 -2.398 -1.833 1.00 4.23 C ATOM 421 C LYS A 31 -22.825 -3.046 -3.210 1.00 2.10 C ATOM 422 O LYS A 31 -21.943 -3.837 -3.563 1.00 23.22 O ATOM 423 CB LYS A 31 -23.741 -3.102 -0.871 1.00 33.45 C ATOM 424 CG LYS A 31 -23.501 -4.622 -0.689 1.00 53.31 C ATOM 425 CD LYS A 31 -24.456 -5.222 0.343 1.00 14.23 C ATOM 426 CE LYS A 31 -24.066 -6.654 0.779 1.00 45.43 C ATOM 427 NZ LYS A 31 -24.345 -7.744 -0.214 1.00 23.43 N ATOM 0 H LYS A 31 -23.812 -0.666 -1.362 1.00 43.22 H new ATOM 0 HA LYS A 31 -21.737 -2.520 -1.445 1.00 4.23 H new ATOM 0 HB2 LYS A 31 -23.684 -2.620 0.105 1.00 33.45 H new ATOM 0 HB3 LYS A 31 -24.754 -2.950 -1.242 1.00 33.45 H new ATOM 0 HG2 LYS A 31 -23.632 -5.129 -1.645 1.00 53.31 H new ATOM 0 HG3 LYS A 31 -22.471 -4.794 -0.376 1.00 53.31 H new ATOM 0 HD2 LYS A 31 -24.482 -4.577 1.221 1.00 14.23 H new ATOM 0 HD3 LYS A 31 -25.464 -5.238 -0.071 1.00 14.23 H new ATOM 0 HE2 LYS A 31 -23.001 -6.664 1.010 1.00 45.43 H new ATOM 0 HE3 LYS A 31 -24.595 -6.888 1.703 1.00 45.43 H new ATOM 0 HZ1 LYS A 31 -24.339 -8.664 0.270 1.00 23.43 H new ATOM 0 HZ2 LYS A 31 -25.277 -7.588 -0.649 1.00 23.43 H new ATOM 0 HZ3 LYS A 31 -23.613 -7.736 -0.953 1.00 23.43 H new ATOM 441 N LEU A 32 -23.833 -2.664 -3.998 1.00 5.24 N ATOM 442 CA LEU A 32 -24.097 -3.298 -5.287 1.00 21.33 C ATOM 443 C LEU A 32 -22.939 -3.123 -6.240 1.00 73.24 C ATOM 444 O LEU A 32 -22.401 -4.098 -6.738 1.00 4.45 O ATOM 445 CB LEU A 32 -25.400 -2.784 -5.914 1.00 24.13 C ATOM 446 CG LEU A 32 -26.684 -3.022 -5.104 1.00 42.31 C ATOM 447 CD1 LEU A 32 -27.881 -2.421 -5.821 1.00 5.12 C ATOM 448 CD2 LEU A 32 -26.906 -4.511 -4.857 1.00 52.04 C ATOM 0 H LEU A 32 -24.482 -1.914 -3.762 1.00 5.24 H new ATOM 0 HA LEU A 32 -24.216 -4.365 -5.098 1.00 21.33 H new ATOM 0 HB2 LEU A 32 -25.298 -1.713 -6.086 1.00 24.13 H new ATOM 0 HB3 LEU A 32 -25.519 -3.254 -6.890 1.00 24.13 H new ATOM 0 HG LEU A 32 -26.571 -2.531 -4.138 1.00 42.31 H new ATOM 0 HD11 LEU A 32 -28.783 -2.598 -5.235 1.00 5.12 H new ATOM 0 HD12 LEU A 32 -27.732 -1.348 -5.942 1.00 5.12 H new ATOM 0 HD13 LEU A 32 -27.989 -2.885 -6.801 1.00 5.12 H new ATOM 0 HD21 LEU A 32 -27.821 -4.652 -4.282 1.00 52.04 H new ATOM 0 HD22 LEU A 32 -26.994 -5.029 -5.812 1.00 52.04 H new ATOM 0 HD23 LEU A 32 -26.061 -4.917 -4.300 1.00 52.04 H new ATOM 460 N GLU A 33 -22.517 -1.903 -6.457 1.00 60.13 N ATOM 461 CA GLU A 33 -21.408 -1.698 -7.355 1.00 12.02 C ATOM 462 C GLU A 33 -20.080 -2.130 -6.798 1.00 22.34 C ATOM 463 O GLU A 33 -19.243 -2.644 -7.537 1.00 52.42 O ATOM 464 CB GLU A 33 -21.373 -0.328 -8.010 1.00 32.12 C ATOM 465 CG GLU A 33 -22.256 -0.278 -9.234 1.00 15.22 C ATOM 466 CD GLU A 33 -21.898 -1.412 -10.185 1.00 71.31 C ATOM 467 OE1 GLU A 33 -20.822 -1.361 -10.799 1.00 42.44 O ATOM 468 OE2 GLU A 33 -22.658 -2.405 -10.247 1.00 14.03 O ATOM 0 H GLU A 33 -22.910 -1.060 -6.039 1.00 60.13 H new ATOM 0 HA GLU A 33 -21.608 -2.387 -8.175 1.00 12.02 H new ATOM 0 HB2 GLU A 33 -21.698 0.427 -7.294 1.00 32.12 H new ATOM 0 HB3 GLU A 33 -20.348 -0.083 -8.289 1.00 32.12 H new ATOM 0 HG2 GLU A 33 -23.303 -0.356 -8.940 1.00 15.22 H new ATOM 0 HG3 GLU A 33 -22.137 0.681 -9.738 1.00 15.22 H new ATOM 475 N PHE A 34 -19.879 -2.013 -5.482 1.00 45.32 N ATOM 476 CA PHE A 34 -18.617 -2.477 -4.912 1.00 41.41 C ATOM 477 C PHE A 34 -18.520 -3.990 -5.084 1.00 21.22 C ATOM 478 O PHE A 34 -17.428 -4.556 -5.197 1.00 20.10 O ATOM 479 CB PHE A 34 -18.478 -2.076 -3.451 1.00 3.32 C ATOM 480 CG PHE A 34 -17.080 -2.214 -2.905 1.00 0.22 C ATOM 481 CD1 PHE A 34 -16.014 -1.639 -3.575 1.00 42.41 C ATOM 482 CD2 PHE A 34 -16.836 -2.885 -1.724 1.00 63.32 C ATOM 483 CE1 PHE A 34 -14.745 -1.718 -3.097 1.00 5.44 C ATOM 484 CE2 PHE A 34 -15.557 -2.972 -1.214 1.00 74.32 C ATOM 485 CZ PHE A 34 -14.505 -2.389 -1.891 1.00 72.43 C ATOM 0 H PHE A 34 -20.544 -1.618 -4.817 1.00 45.32 H new ATOM 0 HA PHE A 34 -17.793 -2.000 -5.443 1.00 41.41 H new ATOM 0 HB2 PHE A 34 -18.800 -1.041 -3.337 1.00 3.32 H new ATOM 0 HB3 PHE A 34 -19.153 -2.688 -2.852 1.00 3.32 H new ATOM 0 HD1 PHE A 34 -16.196 -1.114 -4.501 1.00 42.41 H new ATOM 0 HD2 PHE A 34 -17.655 -3.347 -1.193 1.00 63.32 H new ATOM 0 HE1 PHE A 34 -13.928 -1.268 -3.642 1.00 5.44 H new ATOM 0 HE2 PHE A 34 -15.379 -3.496 -0.286 1.00 74.32 H new ATOM 0 HZ PHE A 34 -13.503 -2.450 -1.493 1.00 72.43 H new ATOM 495 N ARG A 35 -19.678 -4.625 -5.152 1.00 14.01 N ATOM 496 CA ARG A 35 -19.773 -6.030 -5.430 1.00 25.44 C ATOM 497 C ARG A 35 -19.262 -6.262 -6.848 1.00 23.34 C ATOM 498 O ARG A 35 -18.439 -7.134 -7.062 1.00 2.42 O ATOM 499 CB ARG A 35 -21.240 -6.484 -5.261 1.00 12.24 C ATOM 500 CG ARG A 35 -21.522 -7.988 -5.157 1.00 54.14 C ATOM 501 CD ARG A 35 -21.282 -8.771 -6.435 1.00 1.03 C ATOM 502 NE ARG A 35 -21.803 -10.146 -6.313 1.00 40.22 N ATOM 503 CZ ARG A 35 -21.698 -11.112 -7.245 1.00 43.01 C ATOM 504 NH1 ARG A 35 -20.897 -10.959 -8.282 1.00 53.33 N ATOM 505 NH2 ARG A 35 -22.351 -12.256 -7.100 1.00 60.11 N ATOM 0 H ARG A 35 -20.579 -4.168 -5.013 1.00 14.01 H new ATOM 0 HA ARG A 35 -19.168 -6.617 -4.739 1.00 25.44 H new ATOM 0 HB2 ARG A 35 -21.636 -6.008 -4.364 1.00 12.24 H new ATOM 0 HB3 ARG A 35 -21.809 -6.095 -6.106 1.00 12.24 H new ATOM 0 HG2 ARG A 35 -20.897 -8.407 -4.368 1.00 54.14 H new ATOM 0 HG3 ARG A 35 -22.559 -8.129 -4.851 1.00 54.14 H new ATOM 0 HD2 ARG A 35 -21.766 -8.267 -7.272 1.00 1.03 H new ATOM 0 HD3 ARG A 35 -20.215 -8.800 -6.654 1.00 1.03 H new ATOM 0 HE ARG A 35 -22.285 -10.386 -5.447 1.00 40.22 H new ATOM 0 HH11 ARG A 35 -20.351 -10.103 -8.383 1.00 53.33 H new ATOM 0 HH12 ARG A 35 -20.824 -11.696 -8.983 1.00 53.33 H new ATOM 0 HH21 ARG A 35 -22.937 -12.408 -6.279 1.00 60.11 H new ATOM 0 HH22 ARG A 35 -22.268 -12.984 -7.809 1.00 60.11 H new ATOM 519 N SER A 36 -19.662 -5.397 -7.784 1.00 31.12 N ATOM 520 CA SER A 36 -19.288 -5.549 -9.177 1.00 21.40 C ATOM 521 C SER A 36 -17.789 -5.312 -9.330 1.00 22.12 C ATOM 522 O SER A 36 -17.109 -5.993 -10.110 1.00 14.44 O ATOM 523 CB SER A 36 -20.098 -4.580 -10.039 1.00 4.44 C ATOM 524 OG SER A 36 -21.482 -4.769 -9.809 1.00 52.24 O ATOM 0 H SER A 36 -20.247 -4.584 -7.593 1.00 31.12 H new ATOM 0 HA SER A 36 -19.509 -6.562 -9.513 1.00 21.40 H new ATOM 0 HB2 SER A 36 -19.819 -3.552 -9.806 1.00 4.44 H new ATOM 0 HB3 SER A 36 -19.871 -4.741 -11.093 1.00 4.44 H new ATOM 0 HG SER A 36 -21.952 -3.917 -9.925 1.00 52.24 H new ATOM 530 N CYS A 37 -17.279 -4.385 -8.534 1.00 14.00 N ATOM 531 CA CYS A 37 -15.871 -4.076 -8.477 1.00 2.30 C ATOM 532 C CYS A 37 -15.079 -5.329 -8.079 1.00 42.45 C ATOM 533 O CYS A 37 -14.215 -5.793 -8.826 1.00 23.14 O ATOM 534 CB CYS A 37 -15.632 -2.930 -7.476 1.00 63.31 C ATOM 535 SG CYS A 37 -13.919 -2.365 -7.351 1.00 11.31 S ATOM 0 H CYS A 37 -17.847 -3.821 -7.902 1.00 14.00 H new ATOM 0 HA CYS A 37 -15.527 -3.752 -9.459 1.00 2.30 H new ATOM 0 HB2 CYS A 37 -16.257 -2.084 -7.760 1.00 63.31 H new ATOM 0 HB3 CYS A 37 -15.964 -3.255 -6.490 1.00 63.31 H new ATOM 0 HG CYS A 37 -13.511 -1.956 -8.516 1.00 11.31 H new ATOM 541 N LEU A 38 -15.440 -5.920 -6.951 1.00 1.04 N ATOM 542 CA LEU A 38 -14.760 -7.113 -6.453 1.00 23.33 C ATOM 543 C LEU A 38 -15.015 -8.345 -7.329 1.00 0.21 C ATOM 544 O LEU A 38 -14.247 -9.295 -7.313 1.00 21.41 O ATOM 545 CB LEU A 38 -15.094 -7.393 -4.981 1.00 13.14 C ATOM 546 CG LEU A 38 -14.327 -6.598 -3.900 1.00 22.13 C ATOM 547 CD1 LEU A 38 -14.427 -5.108 -4.102 1.00 53.02 C ATOM 548 CD2 LEU A 38 -14.835 -6.971 -2.517 1.00 1.10 C ATOM 0 H LEU A 38 -16.203 -5.594 -6.358 1.00 1.04 H new ATOM 0 HA LEU A 38 -13.693 -6.900 -6.511 1.00 23.33 H new ATOM 0 HB2 LEU A 38 -16.159 -7.208 -4.839 1.00 13.14 H new ATOM 0 HB3 LEU A 38 -14.927 -8.454 -4.797 1.00 13.14 H new ATOM 0 HG LEU A 38 -13.274 -6.867 -3.990 1.00 22.13 H new ATOM 0 HD11 LEU A 38 -13.871 -4.596 -3.316 1.00 53.02 H new ATOM 0 HD12 LEU A 38 -14.009 -4.844 -5.073 1.00 53.02 H new ATOM 0 HD13 LEU A 38 -15.473 -4.805 -4.063 1.00 53.02 H new ATOM 0 HD21 LEU A 38 -14.288 -6.405 -1.763 1.00 1.10 H new ATOM 0 HD22 LEU A 38 -15.897 -6.738 -2.445 1.00 1.10 H new ATOM 0 HD23 LEU A 38 -14.685 -8.038 -2.350 1.00 1.10 H new ATOM 560 N SER A 39 -16.083 -8.344 -8.070 1.00 33.40 N ATOM 561 CA SER A 39 -16.326 -9.419 -8.995 1.00 20.50 C ATOM 562 C SER A 39 -15.448 -9.273 -10.237 1.00 54.51 C ATOM 563 O SER A 39 -14.786 -10.217 -10.644 1.00 40.35 O ATOM 564 CB SER A 39 -17.792 -9.477 -9.354 1.00 65.42 C ATOM 565 OG SER A 39 -18.555 -9.668 -8.194 1.00 2.53 O ATOM 0 H SER A 39 -16.798 -7.617 -8.055 1.00 33.40 H new ATOM 0 HA SER A 39 -16.060 -10.362 -8.517 1.00 20.50 H new ATOM 0 HB2 SER A 39 -18.092 -8.554 -9.850 1.00 65.42 H new ATOM 0 HB3 SER A 39 -17.972 -10.290 -10.057 1.00 65.42 H new ATOM 0 HG SER A 39 -18.307 -10.519 -7.776 1.00 2.53 H new ATOM 571 N SER A 40 -15.386 -8.068 -10.783 1.00 54.05 N ATOM 572 CA SER A 40 -14.593 -7.803 -11.969 1.00 42.15 C ATOM 573 C SER A 40 -13.095 -7.843 -11.639 1.00 20.43 C ATOM 574 O SER A 40 -12.263 -8.005 -12.523 1.00 42.31 O ATOM 575 CB SER A 40 -14.990 -6.449 -12.580 1.00 42.13 C ATOM 576 OG SER A 40 -14.293 -6.185 -13.786 1.00 12.11 O ATOM 0 H SER A 40 -15.880 -7.254 -10.418 1.00 54.05 H new ATOM 0 HA SER A 40 -14.792 -8.582 -12.705 1.00 42.15 H new ATOM 0 HB2 SER A 40 -16.063 -6.439 -12.772 1.00 42.13 H new ATOM 0 HB3 SER A 40 -14.787 -5.654 -11.862 1.00 42.13 H new ATOM 0 HG SER A 40 -14.574 -5.317 -14.143 1.00 12.11 H new ATOM 582 N MET A 41 -12.770 -7.681 -10.364 1.00 21.54 N ATOM 583 CA MET A 41 -11.391 -7.760 -9.901 1.00 14.23 C ATOM 584 C MET A 41 -10.965 -9.233 -9.759 1.00 2.53 C ATOM 585 O MET A 41 -9.789 -9.536 -9.609 1.00 0.00 O ATOM 586 CB MET A 41 -11.252 -7.026 -8.555 1.00 44.31 C ATOM 587 CG MET A 41 -9.817 -6.836 -8.072 1.00 40.11 C ATOM 588 SD MET A 41 -9.715 -6.007 -6.466 1.00 2.22 S ATOM 589 CE MET A 41 -10.575 -4.465 -6.792 1.00 0.50 C ATOM 0 H MET A 41 -13.449 -7.493 -9.626 1.00 21.54 H new ATOM 0 HA MET A 41 -10.739 -7.281 -10.631 1.00 14.23 H new ATOM 0 HB2 MET A 41 -11.724 -6.047 -8.641 1.00 44.31 H new ATOM 0 HB3 MET A 41 -11.805 -7.580 -7.797 1.00 44.31 H new ATOM 0 HG2 MET A 41 -9.331 -7.809 -8.004 1.00 40.11 H new ATOM 0 HG3 MET A 41 -9.265 -6.255 -8.810 1.00 40.11 H new ATOM 0 HE1 MET A 41 -10.096 -3.657 -6.238 1.00 0.50 H new ATOM 0 HE2 MET A 41 -10.537 -4.246 -7.859 1.00 0.50 H new ATOM 0 HE3 MET A 41 -11.615 -4.555 -6.477 1.00 0.50 H new ATOM 599 N GLY A 42 -11.940 -10.134 -9.828 1.00 44.12 N ATOM 600 CA GLY A 42 -11.656 -11.549 -9.710 1.00 0.13 C ATOM 601 C GLY A 42 -11.611 -12.004 -8.271 1.00 64.14 C ATOM 602 O GLY A 42 -10.863 -12.908 -7.925 1.00 62.55 O ATOM 0 H GLY A 42 -12.925 -9.906 -9.964 1.00 44.12 H new ATOM 0 HA2 GLY A 42 -12.418 -12.116 -10.245 1.00 0.13 H new ATOM 0 HA3 GLY A 42 -10.701 -11.767 -10.188 1.00 0.13 H new ATOM 606 N LEU A 43 -12.407 -11.375 -7.438 1.00 25.10 N ATOM 607 CA LEU A 43 -12.440 -11.703 -6.031 1.00 45.22 C ATOM 608 C LEU A 43 -13.698 -12.448 -5.638 1.00 1.14 C ATOM 609 O LEU A 43 -13.633 -13.580 -5.190 1.00 32.23 O ATOM 610 CB LEU A 43 -12.316 -10.439 -5.162 1.00 62.12 C ATOM 611 CG LEU A 43 -10.961 -9.711 -5.171 1.00 42.45 C ATOM 612 CD1 LEU A 43 -11.027 -8.441 -4.334 1.00 72.22 C ATOM 613 CD2 LEU A 43 -9.848 -10.619 -4.663 1.00 25.21 C ATOM 0 H LEU A 43 -13.045 -10.628 -7.713 1.00 25.10 H new ATOM 0 HA LEU A 43 -11.585 -12.356 -5.856 1.00 45.22 H new ATOM 0 HB2 LEU A 43 -13.082 -9.732 -5.482 1.00 62.12 H new ATOM 0 HB3 LEU A 43 -12.546 -10.713 -4.132 1.00 62.12 H new ATOM 0 HG LEU A 43 -10.736 -9.438 -6.202 1.00 42.45 H new ATOM 0 HD11 LEU A 43 -10.058 -7.941 -4.354 1.00 72.22 H new ATOM 0 HD12 LEU A 43 -11.787 -7.775 -4.743 1.00 72.22 H new ATOM 0 HD13 LEU A 43 -11.283 -8.696 -3.306 1.00 72.22 H new ATOM 0 HD21 LEU A 43 -8.901 -10.079 -4.680 1.00 25.21 H new ATOM 0 HD22 LEU A 43 -10.070 -10.930 -3.642 1.00 25.21 H new ATOM 0 HD23 LEU A 43 -9.775 -11.499 -5.303 1.00 25.21 H new ATOM 625 N ILE A 44 -14.849 -11.823 -5.823 1.00 71.32 N ATOM 626 CA ILE A 44 -16.066 -12.385 -5.245 1.00 11.25 C ATOM 627 C ILE A 44 -17.171 -12.639 -6.262 1.00 3.03 C ATOM 628 O ILE A 44 -17.313 -11.902 -7.248 1.00 34.11 O ATOM 629 CB ILE A 44 -16.671 -11.425 -4.172 1.00 12.10 C ATOM 630 CG1 ILE A 44 -17.264 -10.173 -4.851 1.00 55.51 C ATOM 631 CG2 ILE A 44 -15.654 -11.052 -3.100 1.00 23.21 C ATOM 632 CD1 ILE A 44 -17.830 -9.153 -3.934 1.00 64.33 C ATOM 0 H ILE A 44 -14.970 -10.957 -6.349 1.00 71.32 H new ATOM 0 HA ILE A 44 -15.748 -13.335 -4.816 1.00 11.25 H new ATOM 0 HB ILE A 44 -17.476 -11.955 -3.663 1.00 12.10 H new ATOM 0 HG12 ILE A 44 -16.484 -9.703 -5.451 1.00 55.51 H new ATOM 0 HG13 ILE A 44 -18.047 -10.491 -5.539 1.00 55.51 H new ATOM 0 HG21 ILE A 44 -16.118 -10.383 -2.375 1.00 23.21 H new ATOM 0 HG22 ILE A 44 -15.311 -11.954 -2.594 1.00 23.21 H new ATOM 0 HG23 ILE A 44 -14.804 -10.551 -3.563 1.00 23.21 H new ATOM 0 HD11 ILE A 44 -18.219 -8.317 -4.515 1.00 64.33 H new ATOM 0 HD12 ILE A 44 -18.637 -9.596 -3.351 1.00 64.33 H new ATOM 0 HD13 ILE A 44 -17.050 -8.796 -3.261 1.00 64.33 H new ATOM 644 N ASP A 45 -17.893 -13.711 -6.051 1.00 33.22 N ATOM 645 CA ASP A 45 -19.178 -13.932 -6.699 1.00 32.33 C ATOM 646 C ASP A 45 -20.007 -14.831 -5.783 1.00 3.14 C ATOM 647 O ASP A 45 -19.539 -15.183 -4.691 1.00 33.22 O ATOM 648 CB ASP A 45 -19.107 -14.477 -8.133 1.00 31.52 C ATOM 649 CG ASP A 45 -20.314 -13.970 -8.933 1.00 42.32 C ATOM 650 OD1 ASP A 45 -21.462 -14.382 -8.637 1.00 21.41 O ATOM 651 OD2 ASP A 45 -20.147 -13.070 -9.770 1.00 74.33 O ATOM 0 H ASP A 45 -17.611 -14.464 -5.423 1.00 33.22 H new ATOM 0 HA ASP A 45 -19.652 -12.960 -6.835 1.00 32.33 H new ATOM 0 HB2 ASP A 45 -18.181 -14.157 -8.610 1.00 31.52 H new ATOM 0 HB3 ASP A 45 -19.098 -15.567 -8.119 1.00 31.52 H new ATOM 656 N ILE A 46 -21.201 -15.194 -6.172 1.00 2.03 N ATOM 657 CA ILE A 46 -22.033 -16.047 -5.354 1.00 35.12 C ATOM 658 C ILE A 46 -21.662 -17.511 -5.481 1.00 3.43 C ATOM 659 O ILE A 46 -22.294 -18.274 -6.196 1.00 21.20 O ATOM 660 CB ILE A 46 -23.559 -15.831 -5.540 1.00 44.22 C ATOM 661 CG1 ILE A 46 -23.959 -15.812 -7.034 1.00 33.13 C ATOM 662 CG2 ILE A 46 -23.989 -14.571 -4.827 1.00 12.33 C ATOM 663 CD1 ILE A 46 -25.450 -15.673 -7.278 1.00 34.12 C ATOM 0 H ILE A 46 -21.624 -14.912 -7.056 1.00 2.03 H new ATOM 0 HA ILE A 46 -21.817 -15.733 -4.333 1.00 35.12 H new ATOM 0 HB ILE A 46 -24.084 -16.676 -5.094 1.00 44.22 H new ATOM 0 HG12 ILE A 46 -23.443 -14.987 -7.526 1.00 33.13 H new ATOM 0 HG13 ILE A 46 -23.610 -16.732 -7.504 1.00 33.13 H new ATOM 0 HG21 ILE A 46 -25.061 -14.425 -4.961 1.00 12.33 H new ATOM 0 HG22 ILE A 46 -23.765 -14.660 -3.764 1.00 12.33 H new ATOM 0 HG23 ILE A 46 -23.452 -13.718 -5.241 1.00 12.33 H new ATOM 0 HD11 ILE A 46 -25.644 -15.668 -8.351 1.00 34.12 H new ATOM 0 HD12 ILE A 46 -25.974 -16.511 -6.818 1.00 34.12 H new ATOM 0 HD13 ILE A 46 -25.805 -14.740 -6.841 1.00 34.12 H new ATOM 675 N ASP A 47 -20.569 -17.846 -4.831 1.00 5.44 N ATOM 676 CA ASP A 47 -20.071 -19.220 -4.751 1.00 62.25 C ATOM 677 C ASP A 47 -21.112 -20.113 -4.093 1.00 45.24 C ATOM 678 O ASP A 47 -21.610 -21.067 -4.692 1.00 20.35 O ATOM 679 CB ASP A 47 -18.758 -19.241 -3.964 1.00 11.01 C ATOM 680 CG ASP A 47 -18.251 -20.632 -3.642 1.00 11.23 C ATOM 681 OD1 ASP A 47 -17.566 -21.223 -4.488 1.00 0.24 O ATOM 682 OD2 ASP A 47 -18.504 -21.094 -2.512 1.00 11.13 O ATOM 0 H ASP A 47 -19.988 -17.171 -4.334 1.00 5.44 H new ATOM 0 HA ASP A 47 -19.883 -19.600 -5.755 1.00 62.25 H new ATOM 0 HB2 ASP A 47 -17.996 -18.712 -4.536 1.00 11.01 H new ATOM 0 HB3 ASP A 47 -18.896 -18.692 -3.033 1.00 11.01 H new ATOM 687 N PHE A 48 -21.468 -19.768 -2.875 1.00 12.41 N ATOM 688 CA PHE A 48 -22.492 -20.485 -2.180 1.00 45.23 C ATOM 689 C PHE A 48 -23.845 -20.050 -2.711 1.00 61.33 C ATOM 690 O PHE A 48 -24.367 -18.976 -2.345 1.00 71.44 O ATOM 691 CB PHE A 48 -22.412 -20.237 -0.666 1.00 2.31 C ATOM 692 CG PHE A 48 -21.100 -20.634 -0.046 1.00 21.32 C ATOM 693 CD1 PHE A 48 -20.847 -21.957 0.280 1.00 60.32 C ATOM 694 CD2 PHE A 48 -20.123 -19.685 0.215 1.00 11.30 C ATOM 695 CE1 PHE A 48 -19.645 -22.326 0.853 1.00 35.40 C ATOM 696 CE2 PHE A 48 -18.920 -20.047 0.788 1.00 63.34 C ATOM 697 CZ PHE A 48 -18.680 -21.370 1.106 1.00 4.51 C ATOM 0 H PHE A 48 -21.058 -18.994 -2.353 1.00 12.41 H new ATOM 0 HA PHE A 48 -22.353 -21.553 -2.348 1.00 45.23 H new ATOM 0 HB2 PHE A 48 -22.587 -19.179 -0.472 1.00 2.31 H new ATOM 0 HB3 PHE A 48 -23.215 -20.788 -0.176 1.00 2.31 H new ATOM 0 HD1 PHE A 48 -21.598 -22.708 0.084 1.00 60.32 H new ATOM 0 HD2 PHE A 48 -20.305 -18.650 -0.033 1.00 11.30 H new ATOM 0 HE1 PHE A 48 -19.460 -23.360 1.103 1.00 35.40 H new ATOM 0 HE2 PHE A 48 -18.168 -19.298 0.987 1.00 63.34 H new ATOM 0 HZ PHE A 48 -17.739 -21.657 1.552 1.00 4.51 H new ATOM 707 N THR A 49 -24.382 -20.845 -3.595 1.00 11.13 N ATOM 708 CA THR A 49 -25.658 -20.595 -4.183 1.00 42.32 C ATOM 709 C THR A 49 -26.765 -20.836 -3.165 1.00 40.12 C ATOM 710 O THR A 49 -27.080 -21.982 -2.831 1.00 63.45 O ATOM 711 CB THR A 49 -25.854 -21.491 -5.421 1.00 42.04 C ATOM 712 OG1 THR A 49 -25.560 -22.853 -5.068 1.00 5.34 O ATOM 713 CG2 THR A 49 -24.938 -21.050 -6.559 1.00 2.03 C ATOM 0 H THR A 49 -23.933 -21.698 -3.929 1.00 11.13 H new ATOM 0 HA THR A 49 -25.704 -19.553 -4.498 1.00 42.32 H new ATOM 0 HB THR A 49 -26.887 -21.406 -5.757 1.00 42.04 H new ATOM 0 HG1 THR A 49 -25.957 -23.058 -4.196 1.00 5.34 H new ATOM 0 HG21 THR A 49 -25.093 -21.697 -7.423 1.00 2.03 H new ATOM 0 HG22 THR A 49 -25.166 -20.020 -6.831 1.00 2.03 H new ATOM 0 HG23 THR A 49 -23.899 -21.118 -6.237 1.00 2.03 H new ATOM 721 N GLY A 50 -27.297 -19.766 -2.638 1.00 22.13 N ATOM 722 CA GLY A 50 -28.336 -19.865 -1.660 1.00 24.24 C ATOM 723 C GLY A 50 -28.358 -18.642 -0.809 1.00 40.11 C ATOM 724 O GLY A 50 -29.406 -18.159 -0.457 1.00 22.10 O ATOM 0 H GLY A 50 -27.023 -18.812 -2.874 1.00 22.13 H new ATOM 0 HA2 GLY A 50 -29.300 -19.991 -2.154 1.00 24.24 H new ATOM 0 HA3 GLY A 50 -28.178 -20.747 -1.039 1.00 24.24 H new ATOM 728 N GLY A 51 -27.176 -18.133 -0.510 1.00 24.30 N ATOM 729 CA GLY A 51 -27.070 -16.930 0.277 1.00 41.45 C ATOM 730 C GLY A 51 -27.022 -15.728 -0.625 1.00 62.42 C ATOM 731 O GLY A 51 -26.228 -15.708 -1.594 1.00 24.45 O ATOM 0 H GLY A 51 -26.285 -18.535 -0.801 1.00 24.30 H new ATOM 0 HA2 GLY A 51 -27.920 -16.853 0.955 1.00 41.45 H new ATOM 0 HA3 GLY A 51 -26.173 -16.968 0.895 1.00 41.45 H new ATOM 735 N GLU A 52 -27.852 -14.760 -0.346 1.00 13.04 N ATOM 736 CA GLU A 52 -27.989 -13.560 -1.144 1.00 61.33 C ATOM 737 C GLU A 52 -26.734 -12.686 -1.076 1.00 22.42 C ATOM 738 O GLU A 52 -26.618 -11.824 -0.220 1.00 72.41 O ATOM 739 CB GLU A 52 -29.222 -12.720 -0.731 1.00 13.30 C ATOM 740 CG GLU A 52 -30.513 -13.506 -0.466 1.00 24.25 C ATOM 741 CD GLU A 52 -30.606 -14.034 0.969 1.00 63.31 C ATOM 742 OE1 GLU A 52 -29.837 -14.962 1.326 1.00 53.52 O ATOM 743 OE2 GLU A 52 -31.417 -13.498 1.739 1.00 14.33 O ATOM 0 H GLU A 52 -28.471 -14.780 0.464 1.00 13.04 H new ATOM 0 HA GLU A 52 -28.129 -13.899 -2.170 1.00 61.33 H new ATOM 0 HB2 GLU A 52 -28.970 -12.160 0.169 1.00 13.30 H new ATOM 0 HB3 GLU A 52 -29.419 -11.990 -1.516 1.00 13.30 H new ATOM 0 HG2 GLU A 52 -31.371 -12.865 -0.668 1.00 24.25 H new ATOM 0 HG3 GLU A 52 -30.571 -14.344 -1.161 1.00 24.25 H new ATOM 750 N ASP A 53 -25.763 -13.000 -1.946 1.00 13.32 N ATOM 751 CA ASP A 53 -24.501 -12.229 -2.108 1.00 12.15 C ATOM 752 C ASP A 53 -23.619 -12.338 -0.843 1.00 42.11 C ATOM 753 O ASP A 53 -22.624 -11.644 -0.686 1.00 12.33 O ATOM 754 CB ASP A 53 -24.814 -10.755 -2.487 1.00 35.54 C ATOM 755 CG ASP A 53 -23.606 -9.977 -2.949 1.00 54.23 C ATOM 756 OD1 ASP A 53 -22.927 -10.454 -3.899 1.00 11.52 O ATOM 757 OD2 ASP A 53 -23.337 -8.867 -2.388 1.00 3.04 O ATOM 0 H ASP A 53 -25.824 -13.805 -2.569 1.00 13.32 H new ATOM 0 HA ASP A 53 -23.926 -12.661 -2.927 1.00 12.15 H new ATOM 0 HB2 ASP A 53 -25.566 -10.744 -3.276 1.00 35.54 H new ATOM 0 HB3 ASP A 53 -25.251 -10.252 -1.624 1.00 35.54 H new ATOM 762 N ALA A 54 -23.950 -13.345 -0.024 1.00 22.10 N ATOM 763 CA ALA A 54 -23.341 -13.619 1.298 1.00 72.43 C ATOM 764 C ALA A 54 -21.800 -13.630 1.318 1.00 45.03 C ATOM 765 O ALA A 54 -21.188 -13.329 2.350 1.00 22.21 O ATOM 766 CB ALA A 54 -23.881 -14.928 1.852 1.00 15.11 C ATOM 0 H ALA A 54 -24.675 -14.020 -0.267 1.00 22.10 H new ATOM 0 HA ALA A 54 -23.628 -12.780 1.931 1.00 72.43 H new ATOM 0 HB1 ALA A 54 -23.430 -15.125 2.825 1.00 15.11 H new ATOM 0 HB2 ALA A 54 -24.963 -14.858 1.961 1.00 15.11 H new ATOM 0 HB3 ALA A 54 -23.637 -15.741 1.168 1.00 15.11 H new ATOM 772 N GLN A 55 -21.173 -13.976 0.193 1.00 31.53 N ATOM 773 CA GLN A 55 -19.712 -13.981 0.118 1.00 53.02 C ATOM 774 C GLN A 55 -19.162 -12.564 0.273 1.00 75.43 C ATOM 775 O GLN A 55 -18.129 -12.354 0.906 1.00 73.12 O ATOM 776 CB GLN A 55 -19.209 -14.660 -1.168 1.00 73.53 C ATOM 777 CG GLN A 55 -17.709 -14.481 -1.420 1.00 21.41 C ATOM 778 CD GLN A 55 -17.173 -15.318 -2.564 1.00 12.35 C ATOM 779 OE1 GLN A 55 -16.283 -14.903 -3.270 1.00 51.02 O ATOM 780 NE2 GLN A 55 -17.652 -16.523 -2.701 1.00 15.42 N ATOM 0 H GLN A 55 -21.646 -14.253 -0.667 1.00 31.53 H new ATOM 0 HA GLN A 55 -19.333 -14.576 0.949 1.00 53.02 H new ATOM 0 HB2 GLN A 55 -19.434 -15.725 -1.116 1.00 73.53 H new ATOM 0 HB3 GLN A 55 -19.760 -14.259 -2.018 1.00 73.53 H new ATOM 0 HG2 GLN A 55 -17.509 -13.430 -1.627 1.00 21.41 H new ATOM 0 HG3 GLN A 55 -17.165 -14.736 -0.511 1.00 21.41 H new ATOM 0 HE21 GLN A 55 -18.403 -16.846 -2.091 1.00 15.42 H new ATOM 0 HE22 GLN A 55 -17.276 -17.143 -3.418 1.00 15.42 H new ATOM 789 N TYR A 56 -19.885 -11.602 -0.257 1.00 51.02 N ATOM 790 CA TYR A 56 -19.517 -10.223 -0.112 1.00 33.34 C ATOM 791 C TYR A 56 -19.810 -9.818 1.294 1.00 24.43 C ATOM 792 O TYR A 56 -18.986 -9.208 1.929 1.00 71.13 O ATOM 793 CB TYR A 56 -20.321 -9.343 -1.076 1.00 23.24 C ATOM 794 CG TYR A 56 -20.130 -7.812 -0.957 1.00 60.33 C ATOM 795 CD1 TYR A 56 -20.425 -7.089 0.217 1.00 64.33 C ATOM 796 CD2 TYR A 56 -19.729 -7.089 -2.052 1.00 71.12 C ATOM 797 CE1 TYR A 56 -20.307 -5.723 0.244 1.00 2.33 C ATOM 798 CE2 TYR A 56 -19.601 -5.724 -2.011 1.00 0.12 C ATOM 799 CZ TYR A 56 -19.896 -5.049 -0.862 1.00 60.43 C ATOM 800 OH TYR A 56 -19.797 -3.684 -0.820 1.00 75.42 O ATOM 0 H TYR A 56 -20.737 -11.758 -0.795 1.00 51.02 H new ATOM 0 HA TYR A 56 -18.459 -10.098 -0.342 1.00 33.34 H new ATOM 0 HB2 TYR A 56 -20.068 -9.638 -2.094 1.00 23.24 H new ATOM 0 HB3 TYR A 56 -21.379 -9.564 -0.934 1.00 23.24 H new ATOM 0 HD1 TYR A 56 -20.747 -7.616 1.103 1.00 64.33 H new ATOM 0 HD2 TYR A 56 -19.508 -7.609 -2.972 1.00 71.12 H new ATOM 0 HE1 TYR A 56 -20.542 -5.181 1.148 1.00 2.33 H new ATOM 0 HE2 TYR A 56 -19.268 -5.185 -2.885 1.00 0.12 H new ATOM 0 HH TYR A 56 -19.284 -3.417 -0.028 1.00 75.42 H new ATOM 810 N ASP A 57 -21.000 -10.157 1.767 1.00 1.01 N ATOM 811 CA ASP A 57 -21.470 -9.774 3.105 1.00 31.24 C ATOM 812 C ASP A 57 -20.515 -10.161 4.199 1.00 74.23 C ATOM 813 O ASP A 57 -20.316 -9.399 5.127 1.00 5.13 O ATOM 814 CB ASP A 57 -22.880 -10.281 3.386 1.00 53.13 C ATOM 815 CG ASP A 57 -23.896 -9.553 2.549 1.00 12.03 C ATOM 816 OD1 ASP A 57 -24.001 -9.847 1.344 1.00 54.15 O ATOM 817 OD2 ASP A 57 -24.547 -8.634 3.056 1.00 11.32 O ATOM 0 H ASP A 57 -21.675 -10.708 1.237 1.00 1.01 H new ATOM 0 HA ASP A 57 -21.509 -8.685 3.103 1.00 31.24 H new ATOM 0 HB2 ASP A 57 -22.933 -11.350 3.179 1.00 53.13 H new ATOM 0 HB3 ASP A 57 -23.113 -10.149 4.443 1.00 53.13 H new ATOM 822 N ALA A 58 -19.879 -11.311 4.057 1.00 23.23 N ATOM 823 CA ALA A 58 -18.864 -11.756 5.018 1.00 0.53 C ATOM 824 C ALA A 58 -17.654 -10.794 5.042 1.00 44.43 C ATOM 825 O ALA A 58 -17.007 -10.612 6.061 1.00 31.33 O ATOM 826 CB ALA A 58 -18.413 -13.169 4.688 1.00 20.13 C ATOM 0 H ALA A 58 -20.042 -11.960 3.287 1.00 23.23 H new ATOM 0 HA ALA A 58 -19.313 -11.751 6.011 1.00 0.53 H new ATOM 0 HB1 ALA A 58 -17.660 -13.488 5.408 1.00 20.13 H new ATOM 0 HB2 ALA A 58 -19.268 -13.844 4.734 1.00 20.13 H new ATOM 0 HB3 ALA A 58 -17.988 -13.190 3.685 1.00 20.13 H new ATOM 832 N ILE A 59 -17.389 -10.172 3.914 1.00 2.12 N ATOM 833 CA ILE A 59 -16.290 -9.223 3.765 1.00 13.50 C ATOM 834 C ILE A 59 -16.770 -7.815 4.151 1.00 73.12 C ATOM 835 O ILE A 59 -16.040 -7.039 4.776 1.00 52.53 O ATOM 836 CB ILE A 59 -15.783 -9.218 2.297 1.00 13.43 C ATOM 837 CG1 ILE A 59 -15.293 -10.618 1.898 1.00 14.05 C ATOM 838 CG2 ILE A 59 -14.685 -8.181 2.098 1.00 32.24 C ATOM 839 CD1 ILE A 59 -14.863 -10.735 0.452 1.00 31.15 C ATOM 0 H ILE A 59 -17.932 -10.307 3.061 1.00 2.12 H new ATOM 0 HA ILE A 59 -15.472 -9.521 4.421 1.00 13.50 H new ATOM 0 HB ILE A 59 -16.616 -8.945 1.649 1.00 13.43 H new ATOM 0 HG12 ILE A 59 -14.455 -10.894 2.538 1.00 14.05 H new ATOM 0 HG13 ILE A 59 -16.089 -11.337 2.088 1.00 14.05 H new ATOM 0 HG21 ILE A 59 -14.350 -8.201 1.061 1.00 32.24 H new ATOM 0 HG22 ILE A 59 -15.073 -7.190 2.335 1.00 32.24 H new ATOM 0 HG23 ILE A 59 -13.846 -8.409 2.755 1.00 32.24 H new ATOM 0 HD11 ILE A 59 -14.531 -11.754 0.252 1.00 31.15 H new ATOM 0 HD12 ILE A 59 -15.704 -10.493 -0.198 1.00 31.15 H new ATOM 0 HD13 ILE A 59 -14.044 -10.042 0.259 1.00 31.15 H new ATOM 851 N TYR A 60 -18.010 -7.513 3.784 1.00 5.34 N ATOM 852 CA TYR A 60 -18.668 -6.243 4.089 1.00 21.11 C ATOM 853 C TYR A 60 -18.688 -6.075 5.564 1.00 1.55 C ATOM 854 O TYR A 60 -18.377 -5.020 6.086 1.00 55.23 O ATOM 855 CB TYR A 60 -20.081 -6.280 3.561 1.00 15.00 C ATOM 856 CG TYR A 60 -20.881 -5.006 3.710 1.00 23.14 C ATOM 857 CD1 TYR A 60 -20.507 -3.837 3.050 1.00 53.03 C ATOM 858 CD2 TYR A 60 -22.028 -4.984 4.487 1.00 4.40 C ATOM 859 CE1 TYR A 60 -21.262 -2.687 3.167 1.00 53.21 C ATOM 860 CE2 TYR A 60 -22.786 -3.843 4.604 1.00 61.13 C ATOM 861 CZ TYR A 60 -22.404 -2.701 3.945 1.00 42.11 C ATOM 862 OH TYR A 60 -23.167 -1.569 4.060 1.00 74.41 O ATOM 0 H TYR A 60 -18.600 -8.155 3.255 1.00 5.34 H new ATOM 0 HA TYR A 60 -18.135 -5.412 3.626 1.00 21.11 H new ATOM 0 HB2 TYR A 60 -20.045 -6.541 2.503 1.00 15.00 H new ATOM 0 HB3 TYR A 60 -20.616 -7.082 4.069 1.00 15.00 H new ATOM 0 HD1 TYR A 60 -19.616 -3.831 2.440 1.00 53.03 H new ATOM 0 HD2 TYR A 60 -22.332 -5.879 5.010 1.00 4.40 H new ATOM 0 HE1 TYR A 60 -20.963 -1.784 2.655 1.00 53.21 H new ATOM 0 HE2 TYR A 60 -23.679 -3.845 5.212 1.00 61.13 H new ATOM 0 HH TYR A 60 -23.934 -1.750 4.642 1.00 74.41 H new ATOM 872 N ASN A 61 -19.021 -7.166 6.199 1.00 12.24 N ATOM 873 CA ASN A 61 -18.987 -7.333 7.681 1.00 33.23 C ATOM 874 C ASN A 61 -17.675 -6.790 8.292 1.00 23.35 C ATOM 875 O ASN A 61 -17.664 -6.252 9.383 1.00 52.34 O ATOM 876 CB ASN A 61 -19.117 -8.835 8.019 1.00 20.41 C ATOM 877 CG ASN A 61 -18.990 -9.163 9.504 1.00 53.25 C ATOM 878 OD1 ASN A 61 -19.974 -9.175 10.236 1.00 74.24 O ATOM 879 ND2 ASN A 61 -17.788 -9.473 9.948 1.00 2.01 N ATOM 0 H ASN A 61 -19.337 -8.005 5.712 1.00 12.24 H new ATOM 0 HA ASN A 61 -19.815 -6.765 8.105 1.00 33.23 H new ATOM 0 HB2 ASN A 61 -20.083 -9.192 7.662 1.00 20.41 H new ATOM 0 HB3 ASN A 61 -18.352 -9.385 7.472 1.00 20.41 H new ATOM 0 HD21 ASN A 61 -17.657 -9.732 10.926 1.00 2.01 H new ATOM 0 HD22 ASN A 61 -16.989 -9.454 9.314 1.00 2.01 H new ATOM 886 N ASN A 62 -16.589 -6.941 7.563 1.00 53.44 N ATOM 887 CA ASN A 62 -15.280 -6.496 8.016 1.00 3.42 C ATOM 888 C ASN A 62 -15.020 -5.042 7.635 1.00 73.31 C ATOM 889 O ASN A 62 -14.433 -4.290 8.409 1.00 42.24 O ATOM 890 CB ASN A 62 -14.161 -7.397 7.460 1.00 51.42 C ATOM 891 CG ASN A 62 -14.114 -8.788 8.083 1.00 13.25 C ATOM 892 OD1 ASN A 62 -15.126 -9.345 8.514 1.00 71.43 O ATOM 893 ND2 ASN A 62 -12.933 -9.363 8.133 1.00 32.24 N ATOM 0 H ASN A 62 -16.585 -7.375 6.640 1.00 53.44 H new ATOM 0 HA ASN A 62 -15.277 -6.570 9.104 1.00 3.42 H new ATOM 0 HB2 ASN A 62 -14.292 -7.497 6.383 1.00 51.42 H new ATOM 0 HB3 ASN A 62 -13.201 -6.906 7.620 1.00 51.42 H new ATOM 0 HD21 ASN A 62 -12.836 -10.295 8.536 1.00 32.24 H new ATOM 0 HD22 ASN A 62 -12.113 -8.877 7.768 1.00 32.24 H new ATOM 900 N VAL A 63 -15.443 -4.647 6.438 1.00 40.25 N ATOM 901 CA VAL A 63 -15.244 -3.265 5.992 1.00 21.52 C ATOM 902 C VAL A 63 -16.131 -2.227 6.742 1.00 0.11 C ATOM 903 O VAL A 63 -15.644 -1.129 7.124 1.00 44.23 O ATOM 904 CB VAL A 63 -15.186 -3.077 4.397 1.00 55.14 C ATOM 905 CG1 VAL A 63 -16.090 -4.002 3.645 1.00 53.15 C ATOM 906 CG2 VAL A 63 -15.511 -1.668 3.980 1.00 44.22 C ATOM 0 H VAL A 63 -15.918 -5.250 5.767 1.00 40.25 H new ATOM 0 HA VAL A 63 -14.229 -3.023 6.306 1.00 21.52 H new ATOM 0 HB VAL A 63 -14.155 -3.319 4.141 1.00 55.14 H new ATOM 0 HG11 VAL A 63 -15.995 -3.814 2.576 1.00 53.15 H new ATOM 0 HG12 VAL A 63 -15.813 -5.034 3.858 1.00 53.15 H new ATOM 0 HG13 VAL A 63 -17.122 -3.832 3.952 1.00 53.15 H new ATOM 0 HG21 VAL A 63 -15.459 -1.589 2.894 1.00 44.22 H new ATOM 0 HG22 VAL A 63 -16.516 -1.412 4.315 1.00 44.22 H new ATOM 0 HG23 VAL A 63 -14.793 -0.981 4.428 1.00 44.22 H new ATOM 916 N THR A 64 -17.383 -2.554 6.970 1.00 43.43 N ATOM 917 CA THR A 64 -18.258 -1.682 7.727 1.00 42.43 C ATOM 918 C THR A 64 -18.214 -2.026 9.207 1.00 34.12 C ATOM 919 O THR A 64 -18.272 -3.189 9.567 1.00 34.44 O ATOM 920 CB THR A 64 -19.711 -1.751 7.219 1.00 61.44 C ATOM 921 OG1 THR A 64 -20.120 -3.113 7.087 1.00 24.33 O ATOM 922 CG2 THR A 64 -19.847 -1.049 5.890 1.00 44.21 C ATOM 0 H THR A 64 -17.820 -3.416 6.643 1.00 43.43 H new ATOM 0 HA THR A 64 -17.896 -0.664 7.585 1.00 42.43 H new ATOM 0 HB THR A 64 -20.351 -1.250 7.945 1.00 61.44 H new ATOM 0 HG1 THR A 64 -19.439 -3.612 6.589 1.00 24.33 H new ATOM 0 HG21 THR A 64 -20.881 -1.110 5.550 1.00 44.21 H new ATOM 0 HG22 THR A 64 -19.563 -0.003 6.000 1.00 44.21 H new ATOM 0 HG23 THR A 64 -19.196 -1.527 5.158 1.00 44.21 H new ATOM 930 N LYS A 65 -18.099 -1.027 10.046 1.00 43.42 N ATOM 931 CA LYS A 65 -18.109 -1.243 11.484 1.00 55.04 C ATOM 932 C LYS A 65 -19.514 -0.966 11.996 1.00 63.42 C ATOM 933 O LYS A 65 -20.133 -1.801 12.650 1.00 13.11 O ATOM 934 CB LYS A 65 -17.078 -0.346 12.230 1.00 41.42 C ATOM 935 CG LYS A 65 -15.573 -0.656 11.996 1.00 14.04 C ATOM 936 CD LYS A 65 -15.095 -0.425 10.555 1.00 11.11 C ATOM 937 CE LYS A 65 -15.332 1.009 10.095 1.00 72.35 C ATOM 938 NZ LYS A 65 -14.864 1.231 8.718 1.00 22.15 N ATOM 0 H LYS A 65 -17.997 -0.052 9.764 1.00 43.42 H new ATOM 0 HA LYS A 65 -17.819 -2.275 11.681 1.00 55.04 H new ATOM 0 HB2 LYS A 65 -17.259 0.690 11.942 1.00 41.42 H new ATOM 0 HB3 LYS A 65 -17.277 -0.419 13.299 1.00 41.42 H new ATOM 0 HG2 LYS A 65 -14.978 -0.036 12.667 1.00 14.04 H new ATOM 0 HG3 LYS A 65 -15.382 -1.694 12.267 1.00 14.04 H new ATOM 0 HD2 LYS A 65 -14.032 -0.657 10.485 1.00 11.11 H new ATOM 0 HD3 LYS A 65 -15.616 -1.110 9.886 1.00 11.11 H new ATOM 0 HE2 LYS A 65 -16.396 1.239 10.158 1.00 72.35 H new ATOM 0 HE3 LYS A 65 -14.818 1.695 10.768 1.00 72.35 H new ATOM 0 HZ1 LYS A 65 -15.425 1.989 8.279 1.00 22.15 H new ATOM 0 HZ2 LYS A 65 -13.861 1.506 8.732 1.00 22.15 H new ATOM 0 HZ3 LYS A 65 -14.975 0.355 8.168 1.00 22.15 H new ATOM 952 N GLY A 66 -19.997 0.216 11.700 1.00 65.15 N ATOM 953 CA GLY A 66 -21.347 0.593 12.029 1.00 25.51 C ATOM 954 C GLY A 66 -21.894 1.521 10.979 1.00 4.30 C ATOM 955 O GLY A 66 -22.760 2.350 11.244 1.00 40.42 O ATOM 0 H GLY A 66 -19.463 0.943 11.224 1.00 65.15 H new ATOM 0 HA2 GLY A 66 -21.974 -0.296 12.102 1.00 25.51 H new ATOM 0 HA3 GLY A 66 -21.370 1.080 13.004 1.00 25.51 H new ATOM 959 N GLU A 67 -21.382 1.375 9.778 1.00 25.23 N ATOM 960 CA GLU A 67 -21.747 2.234 8.677 1.00 23.31 C ATOM 961 C GLU A 67 -22.476 1.398 7.648 1.00 5.31 C ATOM 962 O GLU A 67 -22.655 0.198 7.830 1.00 1.33 O ATOM 963 CB GLU A 67 -20.508 2.862 7.977 1.00 71.25 C ATOM 964 CG GLU A 67 -19.384 3.380 8.877 1.00 13.44 C ATOM 965 CD GLU A 67 -18.594 2.251 9.490 1.00 3.11 C ATOM 966 OE1 GLU A 67 -18.133 1.374 8.744 1.00 54.01 O ATOM 967 OE2 GLU A 67 -18.443 2.194 10.699 1.00 0.43 O ATOM 0 H GLU A 67 -20.700 0.656 9.538 1.00 25.23 H new ATOM 0 HA GLU A 67 -22.362 3.041 9.075 1.00 23.31 H new ATOM 0 HB2 GLU A 67 -20.085 2.115 7.305 1.00 71.25 H new ATOM 0 HB3 GLU A 67 -20.853 3.690 7.358 1.00 71.25 H new ATOM 0 HG2 GLU A 67 -18.717 4.017 8.296 1.00 13.44 H new ATOM 0 HG3 GLU A 67 -19.807 3.999 9.668 1.00 13.44 H new ATOM 974 N ASN A 68 -22.872 2.023 6.577 1.00 54.32 N ATOM 975 CA ASN A 68 -23.503 1.334 5.483 1.00 21.34 C ATOM 976 C ASN A 68 -22.853 1.822 4.212 1.00 5.25 C ATOM 977 O ASN A 68 -22.977 2.997 3.858 1.00 45.25 O ATOM 978 CB ASN A 68 -25.022 1.606 5.454 1.00 75.33 C ATOM 979 CG ASN A 68 -25.791 0.763 4.420 1.00 15.14 C ATOM 980 OD1 ASN A 68 -25.276 0.365 3.383 1.00 31.33 O ATOM 981 ND2 ASN A 68 -27.045 0.491 4.709 1.00 43.13 N ATOM 0 H ASN A 68 -22.767 3.028 6.435 1.00 54.32 H new ATOM 0 HA ASN A 68 -23.377 0.257 5.594 1.00 21.34 H new ATOM 0 HB2 ASN A 68 -25.434 1.412 6.444 1.00 75.33 H new ATOM 0 HB3 ASN A 68 -25.187 2.662 5.241 1.00 75.33 H new ATOM 0 HD21 ASN A 68 -27.609 -0.062 4.063 1.00 43.13 H new ATOM 0 HD22 ASN A 68 -27.454 0.833 5.579 1.00 43.13 H new ATOM 988 N GLY A 69 -22.090 0.965 3.595 1.00 44.43 N ATOM 989 CA GLY A 69 -21.457 1.302 2.368 1.00 14.51 C ATOM 990 C GLY A 69 -19.988 1.440 2.558 1.00 31.23 C ATOM 991 O GLY A 69 -19.492 1.467 3.696 1.00 1.13 O ATOM 0 H GLY A 69 -21.895 0.022 3.931 1.00 44.43 H new ATOM 0 HA2 GLY A 69 -21.662 0.533 1.623 1.00 14.51 H new ATOM 0 HA3 GLY A 69 -21.869 2.235 1.984 1.00 14.51 H new ATOM 995 N VAL A 70 -19.273 1.521 1.495 1.00 15.13 N ATOM 996 CA VAL A 70 -17.860 1.641 1.597 1.00 21.53 C ATOM 997 C VAL A 70 -17.460 3.087 1.379 1.00 0.32 C ATOM 998 O VAL A 70 -17.419 3.602 0.270 1.00 11.24 O ATOM 999 CB VAL A 70 -17.122 0.655 0.659 1.00 44.02 C ATOM 1000 CG1 VAL A 70 -17.365 -0.765 1.110 1.00 52.14 C ATOM 1001 CG2 VAL A 70 -17.623 0.801 -0.724 1.00 43.24 C ATOM 0 H VAL A 70 -19.640 1.507 0.544 1.00 15.13 H new ATOM 0 HA VAL A 70 -17.550 1.356 2.602 1.00 21.53 H new ATOM 0 HB VAL A 70 -16.056 0.879 0.693 1.00 44.02 H new ATOM 0 HG11 VAL A 70 -16.842 -1.452 0.445 1.00 52.14 H new ATOM 0 HG12 VAL A 70 -16.995 -0.892 2.127 1.00 52.14 H new ATOM 0 HG13 VAL A 70 -18.434 -0.977 1.084 1.00 52.14 H new ATOM 0 HG21 VAL A 70 -17.098 0.103 -1.377 1.00 43.24 H new ATOM 0 HG22 VAL A 70 -18.691 0.587 -0.748 1.00 43.24 H new ATOM 0 HG23 VAL A 70 -17.449 1.821 -1.068 1.00 43.24 H new ATOM 1011 N SER A 71 -17.247 3.744 2.457 1.00 14.13 N ATOM 1012 CA SER A 71 -16.934 5.121 2.464 1.00 11.02 C ATOM 1013 C SER A 71 -15.424 5.358 2.614 1.00 33.23 C ATOM 1014 O SER A 71 -14.655 4.419 2.525 1.00 3.24 O ATOM 1015 CB SER A 71 -17.730 5.718 3.585 1.00 43.43 C ATOM 1016 OG SER A 71 -17.456 5.034 4.800 1.00 15.33 O ATOM 0 H SER A 71 -17.287 3.325 3.386 1.00 14.13 H new ATOM 0 HA SER A 71 -17.193 5.596 1.518 1.00 11.02 H new ATOM 0 HB2 SER A 71 -17.486 6.775 3.691 1.00 43.43 H new ATOM 0 HB3 SER A 71 -18.794 5.658 3.357 1.00 43.43 H new ATOM 0 HG SER A 71 -17.980 5.433 5.526 1.00 15.33 H new ATOM 1022 N PHE A 72 -15.029 6.611 2.846 1.00 42.12 N ATOM 1023 CA PHE A 72 -13.613 7.022 2.949 1.00 23.34 C ATOM 1024 C PHE A 72 -12.774 6.149 3.897 1.00 3.34 C ATOM 1025 O PHE A 72 -11.648 5.828 3.587 1.00 14.31 O ATOM 1026 CB PHE A 72 -13.505 8.496 3.356 1.00 61.24 C ATOM 1027 CG PHE A 72 -14.107 9.450 2.359 1.00 0.42 C ATOM 1028 CD1 PHE A 72 -13.379 9.871 1.259 1.00 40.01 C ATOM 1029 CD2 PHE A 72 -15.400 9.927 2.525 1.00 52.15 C ATOM 1030 CE1 PHE A 72 -13.926 10.747 0.342 1.00 44.13 C ATOM 1031 CE2 PHE A 72 -15.951 10.804 1.611 1.00 14.41 C ATOM 1032 CZ PHE A 72 -15.214 11.215 0.519 1.00 12.42 C ATOM 0 H PHE A 72 -15.684 7.383 2.970 1.00 42.12 H new ATOM 0 HA PHE A 72 -13.194 6.880 1.953 1.00 23.34 H new ATOM 0 HB2 PHE A 72 -13.997 8.634 4.319 1.00 61.24 H new ATOM 0 HB3 PHE A 72 -12.454 8.748 3.496 1.00 61.24 H new ATOM 0 HD1 PHE A 72 -12.371 9.510 1.116 1.00 40.01 H new ATOM 0 HD2 PHE A 72 -15.981 9.609 3.378 1.00 52.15 H new ATOM 0 HE1 PHE A 72 -13.348 11.066 -0.513 1.00 44.13 H new ATOM 0 HE2 PHE A 72 -16.958 11.168 1.751 1.00 14.41 H new ATOM 0 HZ PHE A 72 -15.643 11.901 -0.196 1.00 12.42 H new ATOM 1042 N ASP A 73 -13.319 5.776 5.040 1.00 11.44 N ATOM 1043 CA ASP A 73 -12.566 4.913 5.968 1.00 43.21 C ATOM 1044 C ASP A 73 -12.655 3.485 5.501 1.00 14.02 C ATOM 1045 O ASP A 73 -11.663 2.829 5.252 1.00 34.12 O ATOM 1046 CB ASP A 73 -13.123 5.001 7.401 1.00 13.32 C ATOM 1047 CG ASP A 73 -12.358 4.115 8.393 1.00 2.02 C ATOM 1048 OD1 ASP A 73 -11.344 4.591 8.957 1.00 13.13 O ATOM 1049 OD2 ASP A 73 -12.764 2.944 8.646 1.00 73.11 O ATOM 0 H ASP A 73 -14.253 6.041 5.354 1.00 11.44 H new ATOM 0 HA ASP A 73 -11.531 5.253 5.978 1.00 43.21 H new ATOM 0 HB2 ASP A 73 -13.081 6.036 7.739 1.00 13.32 H new ATOM 0 HB3 ASP A 73 -14.173 4.709 7.396 1.00 13.32 H new ATOM 1054 N ASN A 74 -13.879 3.070 5.335 1.00 21.41 N ATOM 1055 CA ASN A 74 -14.275 1.712 4.992 1.00 1.22 C ATOM 1056 C ASN A 74 -13.578 1.177 3.760 1.00 31.24 C ATOM 1057 O ASN A 74 -12.894 0.154 3.821 1.00 15.30 O ATOM 1058 CB ASN A 74 -15.787 1.675 4.761 1.00 5.54 C ATOM 1059 CG ASN A 74 -16.593 1.987 5.996 1.00 31.43 C ATOM 1060 OD1 ASN A 74 -16.160 2.727 6.873 1.00 2.01 O ATOM 1061 ND2 ASN A 74 -17.773 1.480 6.064 1.00 43.23 N ATOM 0 H ASN A 74 -14.678 3.695 5.438 1.00 21.41 H new ATOM 0 HA ASN A 74 -13.982 1.076 5.827 1.00 1.22 H new ATOM 0 HB2 ASN A 74 -16.044 2.389 3.979 1.00 5.54 H new ATOM 0 HB3 ASN A 74 -16.066 0.687 4.395 1.00 5.54 H new ATOM 0 HD21 ASN A 74 -18.373 1.691 6.861 1.00 43.23 H new ATOM 0 HD22 ASN A 74 -18.108 0.867 5.321 1.00 43.23 H new ATOM 1068 N TYR A 75 -13.759 1.865 2.654 1.00 32.35 N ATOM 1069 CA TYR A 75 -13.232 1.443 1.383 1.00 55.43 C ATOM 1070 C TYR A 75 -11.733 1.383 1.470 1.00 14.42 C ATOM 1071 O TYR A 75 -11.134 0.316 1.247 1.00 5.41 O ATOM 1072 CB TYR A 75 -13.654 2.432 0.277 1.00 53.42 C ATOM 1073 CG TYR A 75 -13.289 2.022 -1.146 1.00 33.44 C ATOM 1074 CD1 TYR A 75 -11.968 1.944 -1.563 1.00 45.11 C ATOM 1075 CD2 TYR A 75 -14.270 1.744 -2.071 1.00 21.24 C ATOM 1076 CE1 TYR A 75 -11.638 1.602 -2.848 1.00 4.22 C ATOM 1077 CE2 TYR A 75 -13.945 1.395 -3.362 1.00 12.00 C ATOM 1078 CZ TYR A 75 -12.630 1.326 -3.746 1.00 2.04 C ATOM 1079 OH TYR A 75 -12.308 0.988 -5.036 1.00 32.32 O ATOM 0 H TYR A 75 -14.281 2.740 2.616 1.00 32.35 H new ATOM 0 HA TYR A 75 -13.626 0.457 1.136 1.00 55.43 H new ATOM 0 HB2 TYR A 75 -14.734 2.571 0.331 1.00 53.42 H new ATOM 0 HB3 TYR A 75 -13.198 3.400 0.486 1.00 53.42 H new ATOM 0 HD1 TYR A 75 -11.180 2.158 -0.857 1.00 45.11 H new ATOM 0 HD2 TYR A 75 -15.308 1.801 -1.780 1.00 21.24 H new ATOM 0 HE1 TYR A 75 -10.602 1.551 -3.149 1.00 4.22 H new ATOM 0 HE2 TYR A 75 -14.727 1.175 -4.074 1.00 12.00 H new ATOM 0 HH TYR A 75 -13.129 0.822 -5.545 1.00 32.32 H new ATOM 1089 N VAL A 76 -11.134 2.510 1.856 1.00 32.23 N ATOM 1090 CA VAL A 76 -9.703 2.619 1.892 1.00 11.12 C ATOM 1091 C VAL A 76 -9.105 1.585 2.792 1.00 72.13 C ATOM 1092 O VAL A 76 -8.143 0.987 2.415 1.00 42.44 O ATOM 1093 CB VAL A 76 -9.181 4.023 2.244 1.00 24.23 C ATOM 1094 CG1 VAL A 76 -7.665 4.039 2.204 1.00 72.22 C ATOM 1095 CG2 VAL A 76 -9.718 5.035 1.269 1.00 72.55 C ATOM 0 H VAL A 76 -11.631 3.352 2.145 1.00 32.23 H new ATOM 0 HA VAL A 76 -9.376 2.435 0.869 1.00 11.12 H new ATOM 0 HB VAL A 76 -9.518 4.278 3.249 1.00 24.23 H new ATOM 0 HG11 VAL A 76 -7.305 5.037 2.454 1.00 72.22 H new ATOM 0 HG12 VAL A 76 -7.274 3.321 2.925 1.00 72.22 H new ATOM 0 HG13 VAL A 76 -7.325 3.771 1.204 1.00 72.22 H new ATOM 0 HG21 VAL A 76 -9.342 6.025 1.528 1.00 72.55 H new ATOM 0 HG22 VAL A 76 -9.394 4.776 0.261 1.00 72.55 H new ATOM 0 HG23 VAL A 76 -10.807 5.038 1.311 1.00 72.55 H new ATOM 1105 N GLN A 77 -9.715 1.338 3.946 1.00 11.34 N ATOM 1106 CA GLN A 77 -9.265 0.269 4.830 1.00 4.54 C ATOM 1107 C GLN A 77 -9.187 -1.051 4.071 1.00 53.03 C ATOM 1108 O GLN A 77 -8.164 -1.692 4.098 1.00 21.25 O ATOM 1109 CB GLN A 77 -10.183 0.115 6.070 1.00 5.22 C ATOM 1110 CG GLN A 77 -10.000 -1.210 6.848 1.00 53.02 C ATOM 1111 CD GLN A 77 -8.588 -1.433 7.373 1.00 3.54 C ATOM 1112 OE1 GLN A 77 -7.880 -0.490 7.711 1.00 31.14 O ATOM 1113 NE2 GLN A 77 -8.152 -2.677 7.401 1.00 20.33 N ATOM 0 H GLN A 77 -10.520 1.862 4.290 1.00 11.34 H new ATOM 0 HA GLN A 77 -8.271 0.540 5.186 1.00 4.54 H new ATOM 0 HB2 GLN A 77 -9.997 0.948 6.748 1.00 5.22 H new ATOM 0 HB3 GLN A 77 -11.222 0.191 5.748 1.00 5.22 H new ATOM 0 HG2 GLN A 77 -10.695 -1.225 7.688 1.00 53.02 H new ATOM 0 HG3 GLN A 77 -10.269 -2.041 6.197 1.00 53.02 H new ATOM 0 HE21 GLN A 77 -8.766 -3.439 7.113 1.00 20.33 H new ATOM 0 HE22 GLN A 77 -7.201 -2.877 7.710 1.00 20.33 H new ATOM 1122 N TYR A 78 -10.228 -1.377 3.295 1.00 24.33 N ATOM 1123 CA TYR A 78 -10.284 -2.664 2.621 1.00 63.25 C ATOM 1124 C TYR A 78 -9.163 -2.768 1.589 1.00 52.03 C ATOM 1125 O TYR A 78 -8.460 -3.786 1.477 1.00 21.53 O ATOM 1126 CB TYR A 78 -11.642 -2.862 1.920 1.00 23.34 C ATOM 1127 CG TYR A 78 -11.711 -4.169 1.156 1.00 53.42 C ATOM 1128 CD1 TYR A 78 -11.820 -5.375 1.826 1.00 62.21 C ATOM 1129 CD2 TYR A 78 -11.640 -4.194 -0.235 1.00 44.21 C ATOM 1130 CE1 TYR A 78 -11.851 -6.569 1.143 1.00 52.02 C ATOM 1131 CE2 TYR A 78 -11.678 -5.388 -0.927 1.00 13.11 C ATOM 1132 CZ TYR A 78 -11.783 -6.573 -0.231 1.00 3.23 C ATOM 1133 OH TYR A 78 -11.807 -7.771 -0.911 1.00 54.45 O ATOM 0 H TYR A 78 -11.030 -0.770 3.124 1.00 24.33 H new ATOM 0 HA TYR A 78 -10.161 -3.442 3.375 1.00 63.25 H new ATOM 0 HB2 TYR A 78 -12.439 -2.836 2.663 1.00 23.34 H new ATOM 0 HB3 TYR A 78 -11.818 -2.033 1.234 1.00 23.34 H new ATOM 0 HD1 TYR A 78 -11.882 -5.379 2.904 1.00 62.21 H new ATOM 0 HD2 TYR A 78 -11.554 -3.266 -0.780 1.00 44.21 H new ATOM 0 HE1 TYR A 78 -11.929 -7.500 1.684 1.00 52.02 H new ATOM 0 HE2 TYR A 78 -11.626 -5.393 -2.006 1.00 13.11 H new ATOM 0 HH TYR A 78 -12.326 -8.427 -0.400 1.00 54.45 H new ATOM 1143 N MET A 79 -8.994 -1.695 0.863 1.00 35.12 N ATOM 1144 CA MET A 79 -8.034 -1.625 -0.213 1.00 51.02 C ATOM 1145 C MET A 79 -6.607 -1.573 0.343 1.00 13.15 C ATOM 1146 O MET A 79 -5.744 -2.390 -0.023 1.00 1.24 O ATOM 1147 CB MET A 79 -8.322 -0.376 -1.052 1.00 40.14 C ATOM 1148 CG MET A 79 -7.579 -0.312 -2.375 1.00 3.04 C ATOM 1149 SD MET A 79 -8.038 -1.655 -3.490 1.00 22.24 S ATOM 1150 CE MET A 79 -9.817 -1.386 -3.666 1.00 22.40 C ATOM 0 H MET A 79 -9.523 -0.834 1.001 1.00 35.12 H new ATOM 0 HA MET A 79 -8.121 -2.515 -0.836 1.00 51.02 H new ATOM 0 HB2 MET A 79 -9.393 -0.328 -1.250 1.00 40.14 H new ATOM 0 HB3 MET A 79 -8.066 0.506 -0.465 1.00 40.14 H new ATOM 0 HG2 MET A 79 -7.785 0.643 -2.858 1.00 3.04 H new ATOM 0 HG3 MET A 79 -6.506 -0.350 -2.188 1.00 3.04 H new ATOM 0 HE1 MET A 79 -10.211 -2.050 -4.435 1.00 22.40 H new ATOM 0 HE2 MET A 79 -10.312 -1.595 -2.718 1.00 22.40 H new ATOM 0 HE3 MET A 79 -10.002 -0.350 -3.952 1.00 22.40 H new ATOM 1160 N LYS A 80 -6.381 -0.656 1.271 1.00 71.45 N ATOM 1161 CA LYS A 80 -5.068 -0.447 1.817 1.00 54.01 C ATOM 1162 C LYS A 80 -4.624 -1.654 2.576 1.00 34.40 C ATOM 1163 O LYS A 80 -3.521 -2.008 2.458 1.00 54.33 O ATOM 1164 CB LYS A 80 -4.937 0.822 2.682 1.00 52.34 C ATOM 1165 CG LYS A 80 -5.598 0.754 4.050 1.00 1.42 C ATOM 1166 CD LYS A 80 -5.362 2.014 4.848 1.00 44.25 C ATOM 1167 CE LYS A 80 -3.880 2.288 5.070 1.00 42.52 C ATOM 1168 NZ LYS A 80 -3.177 1.193 5.796 1.00 21.50 N ATOM 0 H LYS A 80 -7.101 -0.046 1.658 1.00 71.45 H new ATOM 0 HA LYS A 80 -4.410 -0.286 0.963 1.00 54.01 H new ATOM 0 HB2 LYS A 80 -3.878 1.038 2.820 1.00 52.34 H new ATOM 0 HB3 LYS A 80 -5.365 1.661 2.133 1.00 52.34 H new ATOM 0 HG2 LYS A 80 -6.670 0.595 3.929 1.00 1.42 H new ATOM 0 HG3 LYS A 80 -5.209 -0.103 4.600 1.00 1.42 H new ATOM 0 HD2 LYS A 80 -5.812 2.860 4.329 1.00 44.25 H new ATOM 0 HD3 LYS A 80 -5.862 1.930 5.813 1.00 44.25 H new ATOM 0 HE2 LYS A 80 -3.398 2.441 4.104 1.00 42.52 H new ATOM 0 HE3 LYS A 80 -3.770 3.215 5.632 1.00 42.52 H new ATOM 0 HZ1 LYS A 80 -2.201 1.485 6.003 1.00 21.50 H new ATOM 0 HZ2 LYS A 80 -3.675 0.992 6.687 1.00 21.50 H new ATOM 0 HZ3 LYS A 80 -3.164 0.337 5.205 1.00 21.50 H new ATOM 1182 N GLU A 81 -5.542 -2.310 3.304 1.00 72.23 N ATOM 1183 CA GLU A 81 -5.253 -3.560 4.033 1.00 15.45 C ATOM 1184 C GLU A 81 -4.624 -4.548 3.078 1.00 33.44 C ATOM 1185 O GLU A 81 -3.564 -5.097 3.322 1.00 11.24 O ATOM 1186 CB GLU A 81 -6.577 -4.144 4.518 1.00 1.00 C ATOM 1187 CG GLU A 81 -6.502 -5.474 5.229 1.00 54.42 C ATOM 1188 CD GLU A 81 -7.878 -6.063 5.397 1.00 13.20 C ATOM 1189 OE1 GLU A 81 -8.563 -5.710 6.374 1.00 61.44 O ATOM 1190 OE2 GLU A 81 -8.294 -6.873 4.509 1.00 11.05 O ATOM 0 H GLU A 81 -6.505 -1.991 3.405 1.00 72.23 H new ATOM 0 HA GLU A 81 -4.583 -3.364 4.870 1.00 15.45 H new ATOM 0 HB2 GLU A 81 -7.043 -3.423 5.190 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -7.238 -4.253 3.658 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -5.873 -6.161 4.662 1.00 54.42 H new ATOM 0 HG3 GLU A 81 -6.034 -5.345 6.205 1.00 54.42 H new ATOM 1197 N LYS A 82 -5.270 -4.666 1.938 1.00 13.21 N ATOM 1198 CA LYS A 82 -4.907 -5.599 0.912 1.00 73.12 C ATOM 1199 C LYS A 82 -3.604 -5.152 0.221 1.00 32.51 C ATOM 1200 O LYS A 82 -2.930 -5.936 -0.428 1.00 15.54 O ATOM 1201 CB LYS A 82 -6.092 -5.683 -0.053 1.00 64.55 C ATOM 1202 CG LYS A 82 -6.210 -6.957 -0.868 1.00 62.21 C ATOM 1203 CD LYS A 82 -6.281 -8.261 -0.006 1.00 51.52 C ATOM 1204 CE LYS A 82 -7.373 -8.266 1.113 1.00 1.40 C ATOM 1205 NZ LYS A 82 -6.955 -7.530 2.345 1.00 62.23 N ATOM 0 H LYS A 82 -6.083 -4.097 1.700 1.00 13.21 H new ATOM 0 HA LYS A 82 -4.703 -6.590 1.318 1.00 73.12 H new ATOM 0 HB2 LYS A 82 -7.010 -5.559 0.522 1.00 64.55 H new ATOM 0 HB3 LYS A 82 -6.031 -4.841 -0.742 1.00 64.55 H new ATOM 0 HG2 LYS A 82 -7.103 -6.896 -1.490 1.00 62.21 H new ATOM 0 HG3 LYS A 82 -5.356 -7.025 -1.542 1.00 62.21 H new ATOM 0 HD2 LYS A 82 -6.462 -9.106 -0.670 1.00 51.52 H new ATOM 0 HD3 LYS A 82 -5.308 -8.423 0.458 1.00 51.52 H new ATOM 0 HE2 LYS A 82 -8.287 -7.818 0.722 1.00 1.40 H new ATOM 0 HE3 LYS A 82 -7.610 -9.297 1.376 1.00 1.40 H new ATOM 0 HZ1 LYS A 82 -7.571 -7.802 3.137 1.00 62.23 H new ATOM 0 HZ2 LYS A 82 -5.969 -7.770 2.575 1.00 62.23 H new ATOM 0 HZ3 LYS A 82 -7.033 -6.506 2.181 1.00 62.23 H new ATOM 1219 N ASN A 83 -3.295 -3.870 0.339 1.00 32.53 N ATOM 1220 CA ASN A 83 -2.012 -3.324 -0.138 1.00 55.04 C ATOM 1221 C ASN A 83 -0.904 -3.468 0.933 1.00 61.32 C ATOM 1222 O ASN A 83 0.212 -3.850 0.607 1.00 2.30 O ATOM 1223 CB ASN A 83 -2.134 -1.836 -0.568 1.00 65.33 C ATOM 1224 CG ASN A 83 -2.889 -1.587 -1.887 1.00 1.40 C ATOM 1225 OD1 ASN A 83 -3.842 -2.421 -2.221 1.00 41.34 O flip ATOM 1226 ND2 ASN A 83 -2.614 -0.622 -2.590 1.00 4.01 N flip ATOM 0 H ASN A 83 -3.912 -3.177 0.762 1.00 32.53 H new ATOM 0 HA ASN A 83 -1.735 -3.910 -1.014 1.00 55.04 H new ATOM 0 HB2 ASN A 83 -2.637 -1.286 0.228 1.00 65.33 H new ATOM 0 HB3 ASN A 83 -1.131 -1.419 -0.659 1.00 65.33 H new ATOM 0 HD21 ASN A 83 -1.868 0.016 -2.312 1.00 4.01 H new ATOM 0 HD22 ASN A 83 -3.131 -0.456 -3.453 1.00 4.01 H new ATOM 1345 N LEU A 92 14.041 -0.935 5.084 1.00 14.05 N ATOM 1346 CA LEU A 92 15.436 -0.709 4.793 1.00 61.31 C ATOM 1347 C LEU A 92 15.889 0.637 5.310 1.00 21.45 C ATOM 1348 O LEU A 92 17.060 0.811 5.607 1.00 34.20 O ATOM 1349 CB LEU A 92 15.800 -0.892 3.302 1.00 65.53 C ATOM 1350 CG LEU A 92 15.800 -2.337 2.740 1.00 0.41 C ATOM 1351 CD1 LEU A 92 16.632 -3.269 3.605 1.00 42.15 C ATOM 1352 CD2 LEU A 92 14.396 -2.882 2.550 1.00 11.02 C ATOM 0 HA LEU A 92 15.982 -1.488 5.325 1.00 61.31 H new ATOM 0 HB2 LEU A 92 15.102 -0.300 2.710 1.00 65.53 H new ATOM 0 HB3 LEU A 92 16.792 -0.469 3.143 1.00 65.53 H new ATOM 0 HG LEU A 92 16.261 -2.288 1.754 1.00 0.41 H new ATOM 0 HD11 LEU A 92 16.610 -4.274 3.183 1.00 42.15 H new ATOM 0 HD12 LEU A 92 17.661 -2.912 3.639 1.00 42.15 H new ATOM 0 HD13 LEU A 92 16.222 -3.291 4.615 1.00 42.15 H new ATOM 0 HD21 LEU A 92 14.450 -3.896 2.155 1.00 11.02 H new ATOM 0 HD22 LEU A 92 13.877 -2.893 3.509 1.00 11.02 H new ATOM 0 HD23 LEU A 92 13.851 -2.248 1.850 1.00 11.02 H new ATOM 1364 N ASN A 93 14.941 1.561 5.492 1.00 21.14 N ATOM 1365 CA ASN A 93 15.254 2.882 6.048 1.00 72.24 C ATOM 1366 C ASN A 93 15.750 2.721 7.461 1.00 12.01 C ATOM 1367 O ASN A 93 16.717 3.377 7.874 1.00 31.12 O ATOM 1368 CB ASN A 93 14.031 3.814 6.058 1.00 61.31 C ATOM 1369 CG ASN A 93 13.493 4.154 4.683 1.00 3.45 C ATOM 1370 OD1 ASN A 93 14.224 4.221 3.705 1.00 40.14 O ATOM 1371 ND2 ASN A 93 12.202 4.361 4.600 1.00 20.23 N ATOM 0 H ASN A 93 13.957 1.421 5.264 1.00 21.14 H new ATOM 0 HA ASN A 93 16.017 3.332 5.413 1.00 72.24 H new ATOM 0 HB2 ASN A 93 13.237 3.346 6.640 1.00 61.31 H new ATOM 0 HB3 ASN A 93 14.298 4.739 6.569 1.00 61.31 H new ATOM 0 HD21 ASN A 93 11.778 4.586 3.700 1.00 20.23 H new ATOM 0 HD22 ASN A 93 11.621 4.297 5.436 1.00 20.23 H new ATOM 1378 N GLU A 94 15.155 1.763 8.173 1.00 52.01 N ATOM 1379 CA GLU A 94 15.495 1.533 9.553 1.00 32.33 C ATOM 1380 C GLU A 94 16.863 0.903 9.577 1.00 1.20 C ATOM 1381 O GLU A 94 17.749 1.310 10.334 1.00 72.42 O ATOM 1382 CB GLU A 94 14.468 0.604 10.214 1.00 5.14 C ATOM 1383 CG GLU A 94 13.016 1.037 10.018 1.00 43.11 C ATOM 1384 CD GLU A 94 12.757 2.458 10.469 1.00 11.24 C ATOM 1385 OE1 GLU A 94 12.517 2.663 11.671 1.00 55.12 O ATOM 1386 OE2 GLU A 94 12.797 3.367 9.611 1.00 60.53 O ATOM 0 H GLU A 94 14.436 1.140 7.805 1.00 52.01 H new ATOM 0 HA GLU A 94 15.492 2.471 10.109 1.00 32.33 H new ATOM 0 HB2 GLU A 94 14.593 -0.402 9.813 1.00 5.14 H new ATOM 0 HB3 GLU A 94 14.678 0.549 11.282 1.00 5.14 H new ATOM 0 HG2 GLU A 94 12.754 0.942 8.964 1.00 43.11 H new ATOM 0 HG3 GLU A 94 12.363 0.361 10.571 1.00 43.11 H new ATOM 1393 N ILE A 95 17.052 -0.042 8.665 1.00 34.12 N ATOM 1394 CA ILE A 95 18.313 -0.740 8.490 1.00 1.10 C ATOM 1395 C ILE A 95 19.450 0.241 8.212 1.00 22.33 C ATOM 1396 O ILE A 95 20.530 0.118 8.787 1.00 32.32 O ATOM 1397 CB ILE A 95 18.213 -1.830 7.378 1.00 31.11 C ATOM 1398 CG1 ILE A 95 17.299 -2.975 7.838 1.00 23.20 C ATOM 1399 CG2 ILE A 95 19.584 -2.367 6.970 1.00 20.42 C ATOM 1400 CD1 ILE A 95 17.822 -3.724 9.060 1.00 2.10 C ATOM 0 H ILE A 95 16.323 -0.347 8.020 1.00 34.12 H new ATOM 0 HA ILE A 95 18.540 -1.253 9.425 1.00 1.10 H new ATOM 0 HB ILE A 95 17.780 -1.358 6.496 1.00 31.11 H new ATOM 0 HG12 ILE A 95 16.312 -2.572 8.065 1.00 23.20 H new ATOM 0 HG13 ILE A 95 17.174 -3.680 7.017 1.00 23.20 H new ATOM 0 HG21 ILE A 95 19.463 -3.123 6.194 1.00 20.42 H new ATOM 0 HG22 ILE A 95 20.196 -1.550 6.588 1.00 20.42 H new ATOM 0 HG23 ILE A 95 20.073 -2.812 7.837 1.00 20.42 H new ATOM 0 HD11 ILE A 95 17.124 -4.518 9.326 1.00 2.10 H new ATOM 0 HD12 ILE A 95 18.795 -4.158 8.832 1.00 2.10 H new ATOM 0 HD13 ILE A 95 17.921 -3.032 9.896 1.00 2.10 H new ATOM 1412 N PHE A 96 19.196 1.256 7.403 1.00 31.51 N ATOM 1413 CA PHE A 96 20.226 2.253 7.128 1.00 52.24 C ATOM 1414 C PHE A 96 20.575 3.008 8.407 1.00 43.03 C ATOM 1415 O PHE A 96 21.717 3.383 8.605 1.00 32.34 O ATOM 1416 CB PHE A 96 19.818 3.268 6.043 1.00 60.24 C ATOM 1417 CG PHE A 96 19.418 2.684 4.716 1.00 1.53 C ATOM 1418 CD1 PHE A 96 20.115 1.627 4.157 1.00 75.32 C ATOM 1419 CD2 PHE A 96 18.342 3.213 4.020 1.00 13.30 C ATOM 1420 CE1 PHE A 96 19.742 1.106 2.937 1.00 64.12 C ATOM 1421 CE2 PHE A 96 17.965 2.696 2.800 1.00 60.42 C ATOM 1422 CZ PHE A 96 18.665 1.640 2.259 1.00 54.24 C ATOM 0 H PHE A 96 18.305 1.413 6.932 1.00 31.51 H new ATOM 0 HA PHE A 96 21.090 1.705 6.752 1.00 52.24 H new ATOM 0 HB2 PHE A 96 18.987 3.862 6.422 1.00 60.24 H new ATOM 0 HB3 PHE A 96 20.651 3.952 5.881 1.00 60.24 H new ATOM 0 HD1 PHE A 96 20.960 1.206 4.682 1.00 75.32 H new ATOM 0 HD2 PHE A 96 17.792 4.042 4.440 1.00 13.30 H new ATOM 0 HE1 PHE A 96 20.292 0.280 2.511 1.00 64.12 H new ATOM 0 HE2 PHE A 96 17.124 3.117 2.270 1.00 60.42 H new ATOM 0 HZ PHE A 96 18.371 1.230 1.304 1.00 54.24 H new ATOM 1432 N SER A 97 19.608 3.154 9.301 1.00 35.21 N ATOM 1433 CA SER A 97 19.835 3.859 10.538 1.00 20.42 C ATOM 1434 C SER A 97 20.410 2.889 11.579 1.00 5.34 C ATOM 1435 O SER A 97 20.709 3.272 12.702 1.00 4.43 O ATOM 1436 CB SER A 97 18.532 4.513 11.042 1.00 14.41 C ATOM 1437 OG SER A 97 18.764 5.294 12.207 1.00 15.35 O ATOM 0 H SER A 97 18.662 2.791 9.186 1.00 35.21 H new ATOM 0 HA SER A 97 20.555 4.659 10.369 1.00 20.42 H new ATOM 0 HB2 SER A 97 18.111 5.142 10.258 1.00 14.41 H new ATOM 0 HB3 SER A 97 17.795 3.740 11.260 1.00 14.41 H new ATOM 0 HG SER A 97 19.463 4.872 12.750 1.00 15.35 H new ATOM 1443 N THR A 98 20.516 1.632 11.199 1.00 3.50 N ATOM 1444 CA THR A 98 21.121 0.632 12.023 1.00 55.03 C ATOM 1445 C THR A 98 22.625 0.558 11.696 1.00 72.22 C ATOM 1446 O THR A 98 23.465 0.500 12.580 1.00 23.31 O ATOM 1447 CB THR A 98 20.461 -0.746 11.761 1.00 4.11 C ATOM 1448 OG1 THR A 98 19.035 -0.628 11.896 1.00 74.33 O ATOM 1449 CG2 THR A 98 20.969 -1.796 12.745 1.00 15.24 C ATOM 0 H THR A 98 20.179 1.284 10.301 1.00 3.50 H new ATOM 0 HA THR A 98 20.982 0.892 13.072 1.00 55.03 H new ATOM 0 HB THR A 98 20.721 -1.061 10.750 1.00 4.11 H new ATOM 0 HG1 THR A 98 18.690 -0.025 11.205 1.00 74.33 H new ATOM 0 HG21 THR A 98 20.489 -2.752 12.537 1.00 15.24 H new ATOM 0 HG22 THR A 98 22.049 -1.902 12.639 1.00 15.24 H new ATOM 0 HG23 THR A 98 20.733 -1.485 13.763 1.00 15.24 H new ATOM 1457 N ILE A 99 22.932 0.594 10.402 1.00 3.12 N ATOM 1458 CA ILE A 99 24.306 0.432 9.923 1.00 0.41 C ATOM 1459 C ILE A 99 25.020 1.777 9.819 1.00 73.23 C ATOM 1460 O ILE A 99 25.998 2.048 10.500 1.00 22.34 O ATOM 1461 CB ILE A 99 24.330 -0.125 8.503 1.00 1.51 C ATOM 1462 CG1 ILE A 99 23.270 -1.208 8.277 1.00 4.41 C ATOM 1463 CG2 ILE A 99 25.724 -0.663 8.205 1.00 20.43 C ATOM 1464 CD1 ILE A 99 23.248 -1.766 6.867 1.00 41.05 C ATOM 0 H ILE A 99 22.245 0.735 9.661 1.00 3.12 H new ATOM 0 HA ILE A 99 24.790 -0.234 10.637 1.00 0.41 H new ATOM 0 HB ILE A 99 24.088 0.686 7.817 1.00 1.51 H new ATOM 0 HG12 ILE A 99 23.445 -2.025 8.977 1.00 4.41 H new ATOM 0 HG13 ILE A 99 22.288 -0.795 8.508 1.00 4.41 H new ATOM 0 HG21 ILE A 99 25.751 -1.063 7.192 1.00 20.43 H new ATOM 0 HG22 ILE A 99 26.452 0.143 8.296 1.00 20.43 H new ATOM 0 HG23 ILE A 99 25.968 -1.454 8.914 1.00 20.43 H new ATOM 0 HD11 ILE A 99 22.471 -2.527 6.789 1.00 41.05 H new ATOM 0 HD12 ILE A 99 23.041 -0.962 6.161 1.00 41.05 H new ATOM 0 HD13 ILE A 99 24.216 -2.211 6.637 1.00 41.05 H new ATOM 1476 N ALA A 100 24.465 2.638 8.971 1.00 51.23 N ATOM 1477 CA ALA A 100 25.051 3.919 8.605 1.00 72.33 C ATOM 1478 C ALA A 100 24.771 4.971 9.657 1.00 2.40 C ATOM 1479 O ALA A 100 24.957 6.161 9.425 1.00 55.02 O ATOM 1480 CB ALA A 100 24.478 4.342 7.272 1.00 24.11 C ATOM 0 H ALA A 100 23.574 2.458 8.509 1.00 51.23 H new ATOM 0 HA ALA A 100 26.133 3.813 8.533 1.00 72.33 H new ATOM 0 HB1 ALA A 100 24.906 5.301 6.980 1.00 24.11 H new ATOM 0 HB2 ALA A 100 24.719 3.593 6.518 1.00 24.11 H new ATOM 0 HB3 ALA A 100 23.395 4.438 7.355 1.00 24.11 H new ATOM 1486 N ALA A 101 24.406 4.491 10.811 1.00 64.22 N ATOM 1487 CA ALA A 101 24.012 5.250 11.955 1.00 31.11 C ATOM 1488 C ALA A 101 25.085 6.246 12.380 1.00 0.13 C ATOM 1489 O ALA A 101 26.193 5.865 12.754 1.00 0.02 O ATOM 1490 CB ALA A 101 23.713 4.275 13.069 1.00 71.43 C ATOM 0 H ALA A 101 24.375 3.487 10.986 1.00 64.22 H new ATOM 0 HA ALA A 101 23.129 5.841 11.712 1.00 31.11 H new ATOM 0 HB1 ALA A 101 23.408 4.823 13.960 1.00 71.43 H new ATOM 0 HB2 ALA A 101 22.909 3.607 12.761 1.00 71.43 H new ATOM 0 HB3 ALA A 101 24.606 3.690 13.290 1.00 71.43 H new ATOM 1496 N GLY A 102 24.765 7.517 12.259 1.00 43.42 N ATOM 1497 CA GLY A 102 25.685 8.558 12.664 1.00 2.23 C ATOM 1498 C GLY A 102 26.525 9.039 11.511 1.00 20.41 C ATOM 1499 O GLY A 102 27.263 10.010 11.623 1.00 55.15 O ATOM 0 H GLY A 102 23.878 7.853 11.885 1.00 43.42 H new ATOM 0 HA2 GLY A 102 25.126 9.396 13.081 1.00 2.23 H new ATOM 0 HA3 GLY A 102 26.334 8.182 13.455 1.00 2.23 H new ATOM 1503 N LYS A 103 26.410 8.362 10.399 1.00 55.31 N ATOM 1504 CA LYS A 103 27.149 8.712 9.227 1.00 21.12 C ATOM 1505 C LYS A 103 26.209 9.313 8.201 1.00 3.13 C ATOM 1506 O LYS A 103 25.007 9.313 8.390 1.00 1.00 O ATOM 1507 CB LYS A 103 27.890 7.471 8.648 1.00 64.43 C ATOM 1508 CG LYS A 103 28.869 6.836 9.641 1.00 44.35 C ATOM 1509 CD LYS A 103 29.760 5.711 9.057 1.00 25.40 C ATOM 1510 CE LYS A 103 29.027 4.390 8.752 1.00 4.02 C ATOM 1511 NZ LYS A 103 28.210 4.423 7.521 1.00 60.12 N ATOM 0 H LYS A 103 25.799 7.553 10.286 1.00 55.31 H new ATOM 0 HA LYS A 103 27.906 9.451 9.489 1.00 21.12 H new ATOM 0 HB2 LYS A 103 27.155 6.725 8.345 1.00 64.43 H new ATOM 0 HB3 LYS A 103 28.433 7.766 7.750 1.00 64.43 H new ATOM 0 HG2 LYS A 103 29.514 7.618 10.042 1.00 44.35 H new ATOM 0 HG3 LYS A 103 28.301 6.431 10.478 1.00 44.35 H new ATOM 0 HD2 LYS A 103 30.221 6.074 8.138 1.00 25.40 H new ATOM 0 HD3 LYS A 103 30.568 5.507 9.760 1.00 25.40 H new ATOM 0 HE2 LYS A 103 29.763 3.590 8.665 1.00 4.02 H new ATOM 0 HE3 LYS A 103 28.383 4.141 9.596 1.00 4.02 H new ATOM 0 HZ1 LYS A 103 27.930 3.455 7.264 1.00 60.12 H new ATOM 0 HZ2 LYS A 103 27.359 4.997 7.685 1.00 60.12 H new ATOM 0 HZ3 LYS A 103 28.765 4.840 6.747 1.00 60.12 H new ATOM 1525 N ASP A 104 26.771 9.882 7.181 1.00 44.43 N ATOM 1526 CA ASP A 104 26.019 10.404 6.028 1.00 73.54 C ATOM 1527 C ASP A 104 26.148 9.426 4.871 1.00 33.45 C ATOM 1528 O ASP A 104 25.212 9.184 4.093 1.00 14.25 O ATOM 1529 CB ASP A 104 26.610 11.772 5.628 1.00 31.24 C ATOM 1530 CG ASP A 104 26.373 12.145 4.172 1.00 72.22 C ATOM 1531 OD1 ASP A 104 27.246 11.806 3.332 1.00 44.42 O ATOM 1532 OD2 ASP A 104 25.363 12.788 3.857 1.00 34.32 O ATOM 0 H ASP A 104 27.780 10.010 7.102 1.00 44.43 H new ATOM 0 HA ASP A 104 24.966 10.524 6.283 1.00 73.54 H new ATOM 0 HB2 ASP A 104 26.178 12.544 6.265 1.00 31.24 H new ATOM 0 HB3 ASP A 104 27.683 11.763 5.820 1.00 31.24 H new ATOM 1537 N SER A 105 27.295 8.823 4.833 1.00 41.03 N ATOM 1538 CA SER A 105 27.701 7.959 3.787 1.00 64.24 C ATOM 1539 C SER A 105 27.544 6.483 4.210 1.00 35.33 C ATOM 1540 O SER A 105 27.914 6.099 5.343 1.00 44.02 O ATOM 1541 CB SER A 105 29.166 8.308 3.475 1.00 51.12 C ATOM 1542 OG SER A 105 29.704 7.523 2.463 1.00 11.14 O ATOM 0 H SER A 105 27.998 8.929 5.564 1.00 41.03 H new ATOM 0 HA SER A 105 27.082 8.090 2.899 1.00 64.24 H new ATOM 0 HB2 SER A 105 29.231 9.357 3.188 1.00 51.12 H new ATOM 0 HB3 SER A 105 29.764 8.187 4.379 1.00 51.12 H new ATOM 0 HG SER A 105 30.634 7.787 2.304 1.00 11.14 H new ATOM 1548 N ILE A 106 26.948 5.692 3.333 1.00 20.45 N ATOM 1549 CA ILE A 106 26.775 4.253 3.524 1.00 23.23 C ATOM 1550 C ILE A 106 27.441 3.471 2.382 1.00 32.53 C ATOM 1551 O ILE A 106 26.997 3.505 1.240 1.00 20.31 O ATOM 1552 CB ILE A 106 25.270 3.861 3.755 1.00 20.34 C ATOM 1553 CG1 ILE A 106 24.998 2.386 3.558 1.00 1.42 C ATOM 1554 CG2 ILE A 106 24.330 4.666 2.922 1.00 15.31 C ATOM 1555 CD1 ILE A 106 23.631 1.957 4.051 1.00 52.52 C ATOM 0 H ILE A 106 26.563 6.033 2.452 1.00 20.45 H new ATOM 0 HA ILE A 106 27.287 3.968 4.443 1.00 23.23 H new ATOM 0 HB ILE A 106 25.085 4.095 4.804 1.00 20.34 H new ATOM 0 HG12 ILE A 106 25.086 2.146 2.498 1.00 1.42 H new ATOM 0 HG13 ILE A 106 25.762 1.810 4.080 1.00 1.42 H new ATOM 0 HG21 ILE A 106 23.306 4.352 3.123 1.00 15.31 H new ATOM 0 HG22 ILE A 106 24.440 5.722 3.167 1.00 15.31 H new ATOM 0 HG23 ILE A 106 24.556 4.512 1.867 1.00 15.31 H new ATOM 0 HD11 ILE A 106 23.501 0.888 3.880 1.00 52.52 H new ATOM 0 HD12 ILE A 106 23.547 2.166 5.117 1.00 52.52 H new ATOM 0 HD13 ILE A 106 22.860 2.507 3.511 1.00 52.52 H new ATOM 1567 N THR A 107 28.507 2.799 2.715 1.00 34.25 N ATOM 1568 CA THR A 107 29.381 2.141 1.759 1.00 41.11 C ATOM 1569 C THR A 107 28.985 0.680 1.502 1.00 24.33 C ATOM 1570 O THR A 107 28.032 0.137 2.140 1.00 22.31 O ATOM 1571 CB THR A 107 30.828 2.154 2.312 1.00 4.21 C ATOM 1572 OG1 THR A 107 30.856 1.512 3.608 1.00 21.11 O ATOM 1573 CG2 THR A 107 31.362 3.574 2.449 1.00 52.23 C ATOM 0 H THR A 107 28.808 2.685 3.683 1.00 34.25 H new ATOM 0 HA THR A 107 29.298 2.685 0.818 1.00 41.11 H new ATOM 0 HB THR A 107 31.461 1.616 1.607 1.00 4.21 H new ATOM 0 HG1 THR A 107 30.383 2.070 4.260 1.00 21.11 H new ATOM 0 HG21 THR A 107 32.379 3.544 2.840 1.00 52.23 H new ATOM 0 HG22 THR A 107 31.362 4.058 1.473 1.00 52.23 H new ATOM 0 HG23 THR A 107 30.727 4.137 3.133 1.00 52.23 H new ATOM 1581 N GLU A 108 29.733 0.034 0.588 1.00 32.14 N ATOM 1582 CA GLU A 108 29.604 -1.396 0.320 1.00 34.22 C ATOM 1583 C GLU A 108 29.662 -2.135 1.607 1.00 54.42 C ATOM 1584 O GLU A 108 28.782 -2.925 1.923 1.00 14.11 O ATOM 1585 CB GLU A 108 30.748 -1.894 -0.614 1.00 1.42 C ATOM 1586 CG GLU A 108 30.864 -3.441 -0.772 1.00 2.51 C ATOM 1587 CD GLU A 108 31.640 -4.178 0.341 1.00 71.44 C ATOM 1588 OE1 GLU A 108 32.881 -4.197 0.340 1.00 20.40 O ATOM 1589 OE2 GLU A 108 31.006 -4.782 1.246 1.00 31.42 O ATOM 0 H GLU A 108 30.442 0.496 0.018 1.00 32.14 H new ATOM 0 HA GLU A 108 28.651 -1.575 -0.179 1.00 34.22 H new ATOM 0 HB2 GLU A 108 30.603 -1.456 -1.601 1.00 1.42 H new ATOM 0 HB3 GLU A 108 31.696 -1.514 -0.232 1.00 1.42 H new ATOM 0 HG2 GLU A 108 29.858 -3.858 -0.823 1.00 2.51 H new ATOM 0 HG3 GLU A 108 31.346 -3.654 -1.726 1.00 2.51 H new ATOM 1596 N THR A 109 30.670 -1.819 2.373 1.00 12.05 N ATOM 1597 CA THR A 109 30.924 -2.491 3.586 1.00 71.31 C ATOM 1598 C THR A 109 29.872 -2.210 4.650 1.00 13.13 C ATOM 1599 O THR A 109 29.780 -2.936 5.637 1.00 61.44 O ATOM 1600 CB THR A 109 32.393 -2.370 4.061 1.00 60.44 C ATOM 1601 OG1 THR A 109 32.614 -3.096 5.282 1.00 41.51 O ATOM 1602 CG2 THR A 109 32.816 -0.938 4.220 1.00 23.21 C ATOM 0 H THR A 109 31.336 -1.078 2.157 1.00 12.05 H new ATOM 0 HA THR A 109 30.813 -3.555 3.377 1.00 71.31 H new ATOM 0 HB THR A 109 33.010 -2.816 3.281 1.00 60.44 H new ATOM 0 HG1 THR A 109 33.551 -3.001 5.554 1.00 41.51 H new ATOM 0 HG21 THR A 109 33.853 -0.900 4.554 1.00 23.21 H new ATOM 0 HG22 THR A 109 32.724 -0.423 3.264 1.00 23.21 H new ATOM 0 HG23 THR A 109 32.179 -0.450 4.957 1.00 23.21 H new ATOM 1610 N ASP A 110 29.100 -1.150 4.464 1.00 40.45 N ATOM 1611 CA ASP A 110 27.963 -0.915 5.321 1.00 3.03 C ATOM 1612 C ASP A 110 26.897 -1.937 4.969 1.00 20.52 C ATOM 1613 O ASP A 110 26.429 -2.676 5.812 1.00 61.14 O ATOM 1614 CB ASP A 110 27.359 0.493 5.131 1.00 73.35 C ATOM 1615 CG ASP A 110 28.043 1.629 5.862 1.00 53.34 C ATOM 1616 OD1 ASP A 110 28.963 2.269 5.295 1.00 3.03 O ATOM 1617 OD2 ASP A 110 27.605 1.978 6.964 1.00 64.24 O ATOM 0 H ASP A 110 29.242 -0.451 3.735 1.00 40.45 H new ATOM 0 HA ASP A 110 28.296 -0.998 6.356 1.00 3.03 H new ATOM 0 HB2 ASP A 110 27.361 0.723 4.066 1.00 73.35 H new ATOM 0 HB3 ASP A 110 26.317 0.462 5.449 1.00 73.35 H new ATOM 1622 N MET A 111 26.566 -2.020 3.690 1.00 62.11 N ATOM 1623 CA MET A 111 25.454 -2.884 3.267 1.00 71.14 C ATOM 1624 C MET A 111 25.806 -4.366 3.028 1.00 15.22 C ATOM 1625 O MET A 111 25.220 -5.234 3.672 1.00 3.42 O ATOM 1626 CB MET A 111 24.720 -2.323 2.066 1.00 64.31 C ATOM 1627 CG MET A 111 24.013 -1.017 2.319 1.00 72.13 C ATOM 1628 SD MET A 111 23.012 -0.492 0.919 1.00 53.43 S ATOM 1629 CE MET A 111 24.255 -0.330 -0.346 1.00 15.11 C ATOM 0 H MET A 111 27.033 -1.516 2.936 1.00 62.11 H new ATOM 0 HA MET A 111 24.796 -2.880 4.136 1.00 71.14 H new ATOM 0 HB2 MET A 111 25.433 -2.184 1.253 1.00 64.31 H new ATOM 0 HB3 MET A 111 23.989 -3.057 1.727 1.00 64.31 H new ATOM 0 HG2 MET A 111 23.377 -1.116 3.199 1.00 72.13 H new ATOM 0 HG3 MET A 111 24.750 -0.246 2.544 1.00 72.13 H new ATOM 0 HE1 MET A 111 23.955 0.443 -1.054 1.00 15.11 H new ATOM 0 HE2 MET A 111 25.206 -0.055 0.111 1.00 15.11 H new ATOM 0 HE3 MET A 111 24.366 -1.279 -0.871 1.00 15.11 H new ATOM 1639 N GLN A 112 26.756 -4.653 2.116 1.00 4.44 N ATOM 1640 CA GLN A 112 27.083 -6.053 1.711 1.00 73.12 C ATOM 1641 C GLN A 112 27.451 -6.892 2.893 1.00 31.32 C ATOM 1642 O GLN A 112 26.948 -7.999 3.068 1.00 75.41 O ATOM 1643 CB GLN A 112 28.251 -6.120 0.720 1.00 64.41 C ATOM 1644 CG GLN A 112 28.010 -5.580 -0.677 1.00 31.30 C ATOM 1645 CD GLN A 112 27.221 -6.526 -1.612 1.00 54.54 C ATOM 1646 OE1 GLN A 112 26.328 -7.331 -1.091 1.00 2.31 O flip ATOM 1647 NE2 GLN A 112 27.416 -6.508 -2.819 1.00 35.41 N flip ATOM 0 H GLN A 112 27.314 -3.943 1.642 1.00 4.44 H new ATOM 0 HA GLN A 112 26.179 -6.434 1.235 1.00 73.12 H new ATOM 0 HB2 GLN A 112 29.091 -5.576 1.152 1.00 64.41 H new ATOM 0 HB3 GLN A 112 28.558 -7.162 0.631 1.00 64.41 H new ATOM 0 HG2 GLN A 112 27.470 -4.637 -0.598 1.00 31.30 H new ATOM 0 HG3 GLN A 112 28.973 -5.358 -1.137 1.00 31.30 H new ATOM 0 HE21 GLN A 112 28.114 -5.877 -3.214 1.00 35.41 H new ATOM 0 HE22 GLN A 112 26.881 -7.124 -3.431 1.00 35.41 H new ATOM 1656 N LYS A 113 28.354 -6.364 3.680 1.00 60.31 N ATOM 1657 CA LYS A 113 28.830 -7.039 4.881 1.00 14.13 C ATOM 1658 C LYS A 113 27.664 -7.345 5.844 1.00 42.33 C ATOM 1659 O LYS A 113 27.574 -8.433 6.381 1.00 20.22 O ATOM 1660 CB LYS A 113 29.881 -6.183 5.580 1.00 52.14 C ATOM 1661 CG LYS A 113 31.092 -5.821 4.716 1.00 41.52 C ATOM 1662 CD LYS A 113 32.024 -6.988 4.442 1.00 22.23 C ATOM 1663 CE LYS A 113 33.259 -6.526 3.650 1.00 4.14 C ATOM 1664 NZ LYS A 113 32.939 -6.134 2.256 1.00 24.32 N ATOM 0 H LYS A 113 28.786 -5.455 3.514 1.00 60.31 H new ATOM 0 HA LYS A 113 29.281 -7.986 4.585 1.00 14.13 H new ATOM 0 HB2 LYS A 113 29.409 -5.262 5.924 1.00 52.14 H new ATOM 0 HB3 LYS A 113 30.230 -6.713 6.466 1.00 52.14 H new ATOM 0 HG2 LYS A 113 30.741 -5.419 3.766 1.00 41.52 H new ATOM 0 HG3 LYS A 113 31.654 -5.028 5.210 1.00 41.52 H new ATOM 0 HD2 LYS A 113 32.338 -7.438 5.384 1.00 22.23 H new ATOM 0 HD3 LYS A 113 31.494 -7.759 3.882 1.00 22.23 H new ATOM 0 HE2 LYS A 113 33.718 -5.681 4.163 1.00 4.14 H new ATOM 0 HE3 LYS A 113 33.996 -7.329 3.636 1.00 4.14 H new ATOM 0 HZ1 LYS A 113 33.488 -5.289 1.998 1.00 24.32 H new ATOM 0 HZ2 LYS A 113 33.181 -6.914 1.612 1.00 24.32 H new ATOM 0 HZ3 LYS A 113 31.923 -5.924 2.179 1.00 24.32 H new ATOM 1678 N ALA A 114 26.727 -6.413 5.966 1.00 12.45 N ATOM 1679 CA ALA A 114 25.590 -6.554 6.890 1.00 41.03 C ATOM 1680 C ALA A 114 24.496 -7.484 6.330 1.00 11.14 C ATOM 1681 O ALA A 114 23.340 -7.425 6.746 1.00 33.11 O ATOM 1682 CB ALA A 114 25.011 -5.186 7.210 1.00 15.14 C ATOM 0 H ALA A 114 26.726 -5.542 5.435 1.00 12.45 H new ATOM 0 HA ALA A 114 25.963 -7.014 7.805 1.00 41.03 H new ATOM 0 HB1 ALA A 114 24.170 -5.298 7.894 1.00 15.14 H new ATOM 0 HB2 ALA A 114 25.777 -4.566 7.675 1.00 15.14 H new ATOM 0 HB3 ALA A 114 24.670 -4.711 6.290 1.00 15.14 H new ATOM 1688 N GLY A 115 24.876 -8.350 5.420 1.00 51.23 N ATOM 1689 CA GLY A 115 23.946 -9.316 4.857 1.00 4.20 C ATOM 1690 C GLY A 115 23.112 -8.794 3.693 1.00 60.24 C ATOM 1691 O GLY A 115 22.424 -9.573 3.027 1.00 44.43 O ATOM 0 H GLY A 115 25.824 -8.410 5.049 1.00 51.23 H new ATOM 0 HA2 GLY A 115 24.508 -10.188 4.521 1.00 4.20 H new ATOM 0 HA3 GLY A 115 23.273 -9.654 5.645 1.00 4.20 H new ATOM 1695 N MET A 116 23.164 -7.501 3.429 1.00 21.20 N ATOM 1696 CA MET A 116 22.390 -6.938 2.333 1.00 60.14 C ATOM 1697 C MET A 116 23.087 -7.304 1.034 1.00 43.44 C ATOM 1698 O MET A 116 24.223 -6.898 0.798 1.00 35.32 O ATOM 1699 CB MET A 116 22.227 -5.411 2.482 1.00 42.44 C ATOM 1700 CG MET A 116 21.544 -4.979 3.788 1.00 52.44 C ATOM 1701 SD MET A 116 21.360 -3.184 3.953 1.00 41.23 S ATOM 1702 CE MET A 116 20.209 -2.808 2.632 1.00 0.41 C ATOM 0 H MET A 116 23.725 -6.827 3.949 1.00 21.20 H new ATOM 0 HA MET A 116 21.381 -7.350 2.339 1.00 60.14 H new ATOM 0 HB2 MET A 116 23.210 -4.944 2.427 1.00 42.44 H new ATOM 0 HB3 MET A 116 21.648 -5.034 1.639 1.00 42.44 H new ATOM 0 HG2 MET A 116 20.559 -5.443 3.844 1.00 52.44 H new ATOM 0 HG3 MET A 116 22.122 -5.355 4.632 1.00 52.44 H new ATOM 0 HE1 MET A 116 19.710 -1.862 2.842 1.00 0.41 H new ATOM 0 HE2 MET A 116 20.750 -2.732 1.689 1.00 0.41 H new ATOM 0 HE3 MET A 116 19.465 -3.602 2.560 1.00 0.41 H new ATOM 1712 N SER A 117 22.427 -8.084 0.215 1.00 0.02 N ATOM 1713 CA SER A 117 23.045 -8.639 -0.956 1.00 12.30 C ATOM 1714 C SER A 117 22.952 -7.721 -2.203 1.00 23.11 C ATOM 1715 O SER A 117 22.322 -6.646 -2.168 1.00 14.34 O ATOM 1716 CB SER A 117 22.511 -10.048 -1.187 1.00 22.14 C ATOM 1717 OG SER A 117 22.768 -10.854 -0.035 1.00 72.21 O ATOM 0 H SER A 117 21.450 -8.349 0.343 1.00 0.02 H new ATOM 0 HA SER A 117 24.118 -8.708 -0.778 1.00 12.30 H new ATOM 0 HB2 SER A 117 21.440 -10.013 -1.387 1.00 22.14 H new ATOM 0 HB3 SER A 117 22.985 -10.488 -2.064 1.00 22.14 H new ATOM 0 HG SER A 117 22.422 -11.759 -0.185 1.00 72.21 H new ATOM 1723 N ALA A 118 23.587 -8.171 -3.296 1.00 34.34 N ATOM 1724 CA ALA A 118 23.803 -7.383 -4.525 1.00 44.03 C ATOM 1725 C ALA A 118 22.531 -6.793 -5.125 1.00 14.43 C ATOM 1726 O ALA A 118 22.541 -5.651 -5.613 1.00 20.23 O ATOM 1727 CB ALA A 118 24.534 -8.222 -5.562 1.00 33.24 C ATOM 0 H ALA A 118 23.974 -9.113 -3.354 1.00 34.34 H new ATOM 0 HA ALA A 118 24.413 -6.530 -4.229 1.00 44.03 H new ATOM 0 HB1 ALA A 118 24.688 -7.631 -6.465 1.00 33.24 H new ATOM 0 HB2 ALA A 118 25.499 -8.534 -5.163 1.00 33.24 H new ATOM 0 HB3 ALA A 118 23.939 -9.103 -5.802 1.00 33.24 H new ATOM 1733 N GLU A 119 21.447 -7.536 -5.053 1.00 3.23 N ATOM 1734 CA GLU A 119 20.164 -7.117 -5.610 1.00 1.43 C ATOM 1735 C GLU A 119 19.634 -5.902 -4.860 1.00 54.51 C ATOM 1736 O GLU A 119 18.957 -5.043 -5.431 1.00 5.14 O ATOM 1737 CB GLU A 119 19.130 -8.285 -5.587 1.00 71.23 C ATOM 1738 CG GLU A 119 18.634 -8.742 -4.192 1.00 32.40 C ATOM 1739 CD GLU A 119 19.757 -9.041 -3.227 1.00 35.24 C ATOM 1740 OE1 GLU A 119 20.700 -9.756 -3.617 1.00 4.35 O ATOM 1741 OE2 GLU A 119 19.766 -8.455 -2.122 1.00 74.22 O ATOM 0 H GLU A 119 21.424 -8.453 -4.606 1.00 3.23 H new ATOM 0 HA GLU A 119 20.319 -6.838 -6.652 1.00 1.43 H new ATOM 0 HB2 GLU A 119 18.263 -7.985 -6.176 1.00 71.23 H new ATOM 0 HB3 GLU A 119 19.575 -9.144 -6.089 1.00 71.23 H new ATOM 0 HG2 GLU A 119 17.997 -7.966 -3.768 1.00 32.40 H new ATOM 0 HG3 GLU A 119 18.017 -9.633 -4.307 1.00 32.40 H new ATOM 1748 N GLN A 120 19.976 -5.819 -3.593 1.00 14.20 N ATOM 1749 CA GLN A 120 19.553 -4.736 -2.783 1.00 15.43 C ATOM 1750 C GLN A 120 20.490 -3.569 -3.032 1.00 53.05 C ATOM 1751 O GLN A 120 20.047 -2.452 -3.283 1.00 75.44 O ATOM 1752 CB GLN A 120 19.591 -5.147 -1.309 1.00 2.14 C ATOM 1753 CG GLN A 120 18.825 -4.222 -0.382 1.00 21.10 C ATOM 1754 CD GLN A 120 17.326 -4.216 -0.659 1.00 31.23 C ATOM 1755 OE1 GLN A 120 16.656 -3.221 -0.451 1.00 55.31 O ATOM 1756 NE2 GLN A 120 16.792 -5.332 -1.110 1.00 3.34 N ATOM 0 H GLN A 120 20.554 -6.507 -3.111 1.00 14.20 H new ATOM 0 HA GLN A 120 18.531 -4.450 -3.030 1.00 15.43 H new ATOM 0 HB2 GLN A 120 19.185 -6.154 -1.214 1.00 2.14 H new ATOM 0 HB3 GLN A 120 20.630 -5.190 -0.983 1.00 2.14 H new ATOM 0 HG2 GLN A 120 18.998 -4.525 0.651 1.00 21.10 H new ATOM 0 HG3 GLN A 120 19.213 -3.209 -0.486 1.00 21.10 H new ATOM 0 HE21 GLN A 120 17.380 -6.149 -1.274 1.00 3.34 H new ATOM 0 HE22 GLN A 120 15.790 -5.380 -1.295 1.00 3.34 H new ATOM 1765 N ILE A 121 21.793 -3.877 -3.047 1.00 22.44 N ATOM 1766 CA ILE A 121 22.875 -2.885 -3.220 1.00 33.10 C ATOM 1767 C ILE A 121 22.617 -1.993 -4.420 1.00 72.13 C ATOM 1768 O ILE A 121 22.623 -0.766 -4.298 1.00 43.01 O ATOM 1769 CB ILE A 121 24.266 -3.567 -3.416 1.00 35.32 C ATOM 1770 CG1 ILE A 121 24.558 -4.557 -2.293 1.00 14.41 C ATOM 1771 CG2 ILE A 121 25.396 -2.532 -3.522 1.00 12.51 C ATOM 1772 CD1 ILE A 121 24.561 -3.970 -0.908 1.00 14.20 C ATOM 0 H ILE A 121 22.135 -4.832 -2.938 1.00 22.44 H new ATOM 0 HA ILE A 121 22.888 -2.291 -2.306 1.00 33.10 H new ATOM 0 HB ILE A 121 24.223 -4.115 -4.357 1.00 35.32 H new ATOM 0 HG12 ILE A 121 23.816 -5.354 -2.331 1.00 14.41 H new ATOM 0 HG13 ILE A 121 25.529 -5.016 -2.478 1.00 14.41 H new ATOM 0 HG21 ILE A 121 26.348 -3.045 -3.658 1.00 12.51 H new ATOM 0 HG22 ILE A 121 25.212 -1.878 -4.374 1.00 12.51 H new ATOM 0 HG23 ILE A 121 25.431 -1.937 -2.609 1.00 12.51 H new ATOM 0 HD11 ILE A 121 24.778 -4.753 -0.181 1.00 14.20 H new ATOM 0 HD12 ILE A 121 25.323 -3.194 -0.844 1.00 14.20 H new ATOM 0 HD13 ILE A 121 23.584 -3.537 -0.694 1.00 14.20 H new ATOM 1784 N GLU A 122 22.346 -2.615 -5.559 1.00 52.21 N ATOM 1785 CA GLU A 122 22.131 -1.886 -6.796 1.00 34.30 C ATOM 1786 C GLU A 122 20.853 -1.041 -6.719 1.00 53.41 C ATOM 1787 O GLU A 122 20.789 0.033 -7.282 1.00 73.51 O ATOM 1788 CB GLU A 122 22.102 -2.852 -7.995 1.00 52.51 C ATOM 1789 CG GLU A 122 22.092 -2.161 -9.362 1.00 33.24 C ATOM 1790 CD GLU A 122 23.273 -1.223 -9.539 1.00 0.11 C ATOM 1791 OE1 GLU A 122 24.414 -1.692 -9.748 1.00 15.01 O ATOM 1792 OE2 GLU A 122 23.104 0.011 -9.404 1.00 20.11 O ATOM 0 H GLU A 122 22.270 -3.628 -5.649 1.00 52.21 H new ATOM 0 HA GLU A 122 22.965 -1.200 -6.943 1.00 34.30 H new ATOM 0 HB2 GLU A 122 22.971 -3.508 -7.939 1.00 52.51 H new ATOM 0 HB3 GLU A 122 21.219 -3.485 -7.915 1.00 52.51 H new ATOM 0 HG2 GLU A 122 22.108 -2.915 -10.149 1.00 33.24 H new ATOM 0 HG3 GLU A 122 21.164 -1.600 -9.477 1.00 33.24 H new ATOM 1799 N TYR A 123 19.877 -1.488 -5.942 1.00 20.22 N ATOM 1800 CA TYR A 123 18.629 -0.757 -5.833 1.00 23.42 C ATOM 1801 C TYR A 123 18.860 0.470 -4.969 1.00 31.13 C ATOM 1802 O TYR A 123 18.574 1.606 -5.373 1.00 53.15 O ATOM 1803 CB TYR A 123 17.528 -1.655 -5.238 1.00 5.22 C ATOM 1804 CG TYR A 123 16.180 -0.978 -5.072 1.00 12.20 C ATOM 1805 CD1 TYR A 123 15.349 -0.768 -6.165 1.00 14.41 C ATOM 1806 CD2 TYR A 123 15.739 -0.551 -3.821 1.00 44.35 C ATOM 1807 CE1 TYR A 123 14.120 -0.153 -6.020 1.00 12.23 C ATOM 1808 CE2 TYR A 123 14.510 0.064 -3.669 1.00 61.13 C ATOM 1809 CZ TYR A 123 13.705 0.260 -4.772 1.00 32.43 C ATOM 1810 OH TYR A 123 12.475 0.871 -4.627 1.00 14.03 O ATOM 0 H TYR A 123 19.926 -2.342 -5.386 1.00 20.22 H new ATOM 0 HA TYR A 123 18.294 -0.444 -6.822 1.00 23.42 H new ATOM 0 HB2 TYR A 123 17.405 -2.528 -5.878 1.00 5.22 H new ATOM 0 HB3 TYR A 123 17.860 -2.018 -4.265 1.00 5.22 H new ATOM 0 HD1 TYR A 123 15.669 -1.091 -7.145 1.00 14.41 H new ATOM 0 HD2 TYR A 123 16.368 -0.703 -2.956 1.00 44.35 H new ATOM 0 HE1 TYR A 123 13.487 0.003 -6.881 1.00 12.23 H new ATOM 0 HE2 TYR A 123 14.182 0.389 -2.693 1.00 61.13 H new ATOM 0 HH TYR A 123 12.333 1.100 -3.685 1.00 14.03 H new ATOM 1820 N VAL A 124 19.457 0.233 -3.812 1.00 63.44 N ATOM 1821 CA VAL A 124 19.753 1.276 -2.854 1.00 51.12 C ATOM 1822 C VAL A 124 20.594 2.370 -3.489 1.00 3.12 C ATOM 1823 O VAL A 124 20.292 3.532 -3.347 1.00 60.22 O ATOM 1824 CB VAL A 124 20.475 0.721 -1.595 1.00 65.41 C ATOM 1825 CG1 VAL A 124 20.825 1.844 -0.623 1.00 71.24 C ATOM 1826 CG2 VAL A 124 19.611 -0.322 -0.901 1.00 14.44 C ATOM 0 H VAL A 124 19.750 -0.697 -3.513 1.00 63.44 H new ATOM 0 HA VAL A 124 18.798 1.696 -2.537 1.00 51.12 H new ATOM 0 HB VAL A 124 21.402 0.250 -1.922 1.00 65.41 H new ATOM 0 HG11 VAL A 124 21.329 1.427 0.249 1.00 71.24 H new ATOM 0 HG12 VAL A 124 21.484 2.559 -1.115 1.00 71.24 H new ATOM 0 HG13 VAL A 124 19.912 2.349 -0.307 1.00 71.24 H new ATOM 0 HG21 VAL A 124 20.133 -0.700 -0.022 1.00 14.44 H new ATOM 0 HG22 VAL A 124 18.668 0.131 -0.597 1.00 14.44 H new ATOM 0 HG23 VAL A 124 19.413 -1.146 -1.587 1.00 14.44 H new ATOM 1836 N LYS A 125 21.600 1.990 -4.245 1.00 11.34 N ATOM 1837 CA LYS A 125 22.463 2.978 -4.848 1.00 61.14 C ATOM 1838 C LYS A 125 21.857 3.601 -6.119 1.00 14.43 C ATOM 1839 O LYS A 125 22.408 4.552 -6.679 1.00 13.24 O ATOM 1840 CB LYS A 125 23.886 2.459 -5.067 1.00 5.50 C ATOM 1841 CG LYS A 125 24.067 1.372 -6.105 1.00 1.30 C ATOM 1842 CD LYS A 125 25.534 0.971 -6.169 1.00 41.33 C ATOM 1843 CE LYS A 125 25.822 -0.024 -7.270 1.00 33.45 C ATOM 1844 NZ LYS A 125 25.515 0.527 -8.606 1.00 0.41 N ATOM 0 H LYS A 125 21.837 1.020 -4.454 1.00 11.34 H new ATOM 0 HA LYS A 125 22.544 3.790 -4.125 1.00 61.14 H new ATOM 0 HB2 LYS A 125 24.516 3.304 -5.347 1.00 5.50 H new ATOM 0 HB3 LYS A 125 24.261 2.084 -4.115 1.00 5.50 H new ATOM 0 HG2 LYS A 125 23.453 0.507 -5.852 1.00 1.30 H new ATOM 0 HG3 LYS A 125 23.733 1.726 -7.080 1.00 1.30 H new ATOM 0 HD2 LYS A 125 26.143 1.862 -6.322 1.00 41.33 H new ATOM 0 HD3 LYS A 125 25.831 0.543 -5.212 1.00 41.33 H new ATOM 0 HE2 LYS A 125 26.872 -0.316 -7.230 1.00 33.45 H new ATOM 0 HE3 LYS A 125 25.234 -0.927 -7.106 1.00 33.45 H new ATOM 0 HZ1 LYS A 125 25.925 -0.088 -9.338 1.00 0.41 H new ATOM 0 HZ2 LYS A 125 24.484 0.576 -8.733 1.00 0.41 H new ATOM 0 HZ3 LYS A 125 25.920 1.481 -8.689 1.00 0.41 H new ATOM 1858 N ALA A 126 20.752 3.056 -6.590 1.00 62.44 N ATOM 1859 CA ALA A 126 20.073 3.640 -7.727 1.00 24.31 C ATOM 1860 C ALA A 126 19.145 4.734 -7.232 1.00 65.44 C ATOM 1861 O ALA A 126 18.972 5.766 -7.879 1.00 65.13 O ATOM 1862 CB ALA A 126 19.295 2.588 -8.507 1.00 54.31 C ATOM 0 H ALA A 126 20.311 2.220 -6.208 1.00 62.44 H new ATOM 0 HA ALA A 126 20.813 4.063 -8.406 1.00 24.31 H new ATOM 0 HB1 ALA A 126 18.796 3.058 -9.355 1.00 54.31 H new ATOM 0 HB2 ALA A 126 19.981 1.822 -8.869 1.00 54.31 H new ATOM 0 HB3 ALA A 126 18.550 2.130 -7.856 1.00 54.31 H new ATOM 1868 N ASN A 127 18.553 4.497 -6.075 1.00 51.31 N ATOM 1869 CA ASN A 127 17.657 5.469 -5.463 1.00 54.23 C ATOM 1870 C ASN A 127 18.417 6.486 -4.624 1.00 44.03 C ATOM 1871 O ASN A 127 18.021 7.644 -4.532 1.00 60.43 O ATOM 1872 CB ASN A 127 16.577 4.785 -4.609 1.00 3.34 C ATOM 1873 CG ASN A 127 15.573 3.987 -5.424 1.00 3.30 C ATOM 1874 OD1 ASN A 127 15.761 2.813 -5.688 1.00 73.33 O ATOM 1875 ND2 ASN A 127 14.491 4.619 -5.815 1.00 12.32 N ATOM 0 H ASN A 127 18.675 3.639 -5.537 1.00 51.31 H new ATOM 0 HA ASN A 127 17.167 5.997 -6.281 1.00 54.23 H new ATOM 0 HB2 ASN A 127 17.059 4.121 -3.891 1.00 3.34 H new ATOM 0 HB3 ASN A 127 16.045 5.544 -4.035 1.00 3.34 H new ATOM 0 HD21 ASN A 127 13.780 4.126 -6.355 1.00 12.32 H new ATOM 0 HD22 ASN A 127 14.361 5.603 -5.579 1.00 12.32 H new ATOM 1882 N LEU A 128 19.485 6.048 -3.995 1.00 40.03 N ATOM 1883 CA LEU A 128 20.306 6.911 -3.169 1.00 42.31 C ATOM 1884 C LEU A 128 21.577 7.258 -3.926 1.00 54.44 C ATOM 1885 O LEU A 128 22.285 6.363 -4.372 1.00 24.10 O ATOM 1886 CB LEU A 128 20.650 6.264 -1.793 1.00 43.14 C ATOM 1887 CG LEU A 128 19.506 6.112 -0.746 1.00 2.33 C ATOM 1888 CD1 LEU A 128 18.336 5.281 -1.255 1.00 20.21 C ATOM 1889 CD2 LEU A 128 20.046 5.477 0.503 1.00 2.10 C ATOM 0 H LEU A 128 19.811 5.082 -4.041 1.00 40.03 H new ATOM 0 HA LEU A 128 19.738 7.816 -2.954 1.00 42.31 H new ATOM 0 HB2 LEU A 128 21.061 5.273 -1.984 1.00 43.14 H new ATOM 0 HB3 LEU A 128 21.444 6.855 -1.336 1.00 43.14 H new ATOM 0 HG LEU A 128 19.131 7.116 -0.545 1.00 2.33 H new ATOM 0 HD11 LEU A 128 17.573 5.213 -0.479 1.00 20.21 H new ATOM 0 HD12 LEU A 128 17.912 5.754 -2.141 1.00 20.21 H new ATOM 0 HD13 LEU A 128 18.684 4.280 -1.510 1.00 20.21 H new ATOM 0 HD21 LEU A 128 19.244 5.372 1.234 1.00 2.10 H new ATOM 0 HD22 LEU A 128 20.451 4.494 0.265 1.00 2.10 H new ATOM 0 HD23 LEU A 128 20.835 6.104 0.918 1.00 2.10 H new ATOM 1901 N PRO A 129 21.872 8.566 -4.074 1.00 44.44 N ATOM 1902 CA PRO A 129 23.006 9.077 -4.862 1.00 13.23 C ATOM 1903 C PRO A 129 24.334 8.345 -4.641 1.00 44.13 C ATOM 1904 O PRO A 129 24.861 8.267 -3.502 1.00 13.00 O ATOM 1905 CB PRO A 129 23.123 10.529 -4.405 1.00 74.23 C ATOM 1906 CG PRO A 129 21.735 10.909 -4.058 1.00 52.44 C ATOM 1907 CD PRO A 129 21.105 9.678 -3.470 1.00 24.24 C ATOM 0 HA PRO A 129 22.818 8.940 -5.927 1.00 13.23 H new ATOM 0 HB2 PRO A 129 23.789 10.625 -3.548 1.00 74.23 H new ATOM 0 HB3 PRO A 129 23.525 11.164 -5.194 1.00 74.23 H new ATOM 0 HG2 PRO A 129 21.723 11.733 -3.344 1.00 52.44 H new ATOM 0 HG3 PRO A 129 21.189 11.243 -4.940 1.00 52.44 H new ATOM 0 HD2 PRO A 129 21.179 9.671 -2.383 1.00 24.24 H new ATOM 0 HD3 PRO A 129 20.045 9.614 -3.717 1.00 24.24 H new ATOM 1915 N GLN A 130 24.861 7.804 -5.736 1.00 12.21 N ATOM 1916 CA GLN A 130 26.154 7.149 -5.759 1.00 11.51 C ATOM 1917 C GLN A 130 27.270 8.172 -5.670 1.00 35.51 C ATOM 1918 O GLN A 130 27.785 8.659 -6.674 1.00 51.04 O ATOM 1919 CB GLN A 130 26.307 6.246 -7.000 1.00 41.43 C ATOM 1920 CG GLN A 130 25.529 4.949 -6.899 1.00 0.25 C ATOM 1921 CD GLN A 130 25.418 4.173 -8.208 1.00 2.11 C ATOM 1922 OE1 GLN A 130 26.274 3.348 -8.550 1.00 11.43 O ATOM 1923 NE2 GLN A 130 24.325 4.356 -8.899 1.00 1.35 N ATOM 0 H GLN A 130 24.391 7.811 -6.641 1.00 12.21 H new ATOM 0 HA GLN A 130 26.222 6.501 -4.885 1.00 11.51 H new ATOM 0 HB2 GLN A 130 25.974 6.793 -7.882 1.00 41.43 H new ATOM 0 HB3 GLN A 130 27.363 6.018 -7.146 1.00 41.43 H new ATOM 0 HG2 GLN A 130 26.005 4.312 -6.153 1.00 0.25 H new ATOM 0 HG3 GLN A 130 24.525 5.170 -6.536 1.00 0.25 H new ATOM 0 HE21 GLN A 130 23.637 5.044 -8.592 1.00 1.35 H new ATOM 0 HE22 GLN A 130 24.159 3.811 -9.745 1.00 1.35 H new ATOM 1973 N GLY A 134 29.766 4.789 -0.813 1.00 12.02 N ATOM 1974 CA GLY A 134 29.341 5.488 0.339 1.00 32.44 C ATOM 1975 C GLY A 134 28.221 6.380 -0.056 1.00 0.22 C ATOM 1976 O GLY A 134 28.348 7.612 -0.115 1.00 32.53 O ATOM 0 HA2 GLY A 134 29.019 4.790 1.112 1.00 32.44 H new ATOM 0 HA3 GLY A 134 30.163 6.069 0.757 1.00 32.44 H new ATOM 1980 N TYR A 135 27.127 5.740 -0.298 1.00 13.33 N ATOM 1981 CA TYR A 135 25.939 6.313 -0.856 1.00 3.01 C ATOM 1982 C TYR A 135 25.336 7.303 0.110 1.00 15.23 C ATOM 1983 O TYR A 135 25.441 7.136 1.332 1.00 52.52 O ATOM 1984 CB TYR A 135 24.987 5.159 -1.198 1.00 33.40 C ATOM 1985 CG TYR A 135 25.722 4.039 -1.928 1.00 14.21 C ATOM 1986 CD1 TYR A 135 26.586 4.307 -2.994 1.00 4.30 C ATOM 1987 CD2 TYR A 135 25.602 2.732 -1.509 1.00 62.34 C ATOM 1988 CE1 TYR A 135 27.307 3.298 -3.598 1.00 43.44 C ATOM 1989 CE2 TYR A 135 26.309 1.718 -2.120 1.00 2.40 C ATOM 1990 CZ TYR A 135 27.163 2.003 -3.151 1.00 51.23 C ATOM 1991 OH TYR A 135 27.883 0.989 -3.730 1.00 33.41 O ATOM 0 H TYR A 135 27.028 4.744 -0.102 1.00 13.33 H new ATOM 0 HA TYR A 135 26.154 6.873 -1.766 1.00 3.01 H new ATOM 0 HB2 TYR A 135 24.540 4.769 -0.284 1.00 33.40 H new ATOM 0 HB3 TYR A 135 24.171 5.528 -1.819 1.00 33.40 H new ATOM 0 HD1 TYR A 135 26.691 5.321 -3.351 1.00 4.30 H new ATOM 0 HD2 TYR A 135 24.942 2.497 -0.687 1.00 62.34 H new ATOM 0 HE1 TYR A 135 27.978 3.521 -4.414 1.00 43.44 H new ATOM 0 HE2 TYR A 135 26.189 0.698 -1.785 1.00 2.40 H new ATOM 0 HH TYR A 135 27.662 0.140 -3.294 1.00 33.41 H new ATOM 2001 N ASP A 136 24.744 8.332 -0.424 1.00 0.24 N ATOM 2002 CA ASP A 136 24.210 9.408 0.390 1.00 53.42 C ATOM 2003 C ASP A 136 22.816 9.015 0.890 1.00 11.34 C ATOM 2004 O ASP A 136 21.810 9.292 0.245 1.00 23.15 O ATOM 2005 CB ASP A 136 24.152 10.699 -0.479 1.00 65.34 C ATOM 2006 CG ASP A 136 23.862 11.994 0.272 1.00 23.11 C ATOM 2007 OD1 ASP A 136 22.714 12.296 0.555 1.00 21.10 O ATOM 2008 OD2 ASP A 136 24.799 12.765 0.525 1.00 74.54 O ATOM 0 H ASP A 136 24.614 8.457 -1.428 1.00 0.24 H new ATOM 0 HA ASP A 136 24.844 9.593 1.257 1.00 53.42 H new ATOM 0 HB2 ASP A 136 25.104 10.808 -0.998 1.00 65.34 H new ATOM 0 HB3 ASP A 136 23.386 10.565 -1.243 1.00 65.34 H new ATOM 2013 N TYR A 137 22.741 8.341 2.047 1.00 14.01 N ATOM 2014 CA TYR A 137 21.417 7.919 2.548 1.00 2.04 C ATOM 2015 C TYR A 137 20.750 9.098 3.149 1.00 55.22 C ATOM 2016 O TYR A 137 19.528 9.157 3.296 1.00 51.25 O ATOM 2017 CB TYR A 137 21.454 6.737 3.552 1.00 61.24 C ATOM 2018 CG TYR A 137 21.780 7.095 4.988 1.00 25.20 C ATOM 2019 CD1 TYR A 137 23.079 7.212 5.414 1.00 31.12 C ATOM 2020 CD2 TYR A 137 20.759 7.309 5.921 1.00 25.44 C ATOM 2021 CE1 TYR A 137 23.368 7.531 6.713 1.00 33.52 C ATOM 2022 CE2 TYR A 137 21.044 7.630 7.227 1.00 0.41 C ATOM 2023 CZ TYR A 137 22.350 7.739 7.620 1.00 52.24 C ATOM 2024 OH TYR A 137 22.655 8.069 8.919 1.00 31.11 O ATOM 0 H TYR A 137 23.536 8.084 2.632 1.00 14.01 H new ATOM 0 HA TYR A 137 20.855 7.537 1.695 1.00 2.04 H new ATOM 0 HB2 TYR A 137 20.484 6.240 3.534 1.00 61.24 H new ATOM 0 HB3 TYR A 137 22.190 6.013 3.203 1.00 61.24 H new ATOM 0 HD1 TYR A 137 23.885 7.050 4.714 1.00 31.12 H new ATOM 0 HD2 TYR A 137 19.729 7.220 5.609 1.00 25.44 H new ATOM 0 HE1 TYR A 137 24.397 7.620 7.029 1.00 33.52 H new ATOM 0 HE2 TYR A 137 20.245 7.794 7.935 1.00 0.41 H new ATOM 0 HH TYR A 137 23.447 8.646 8.933 1.00 31.11 H new ATOM 2034 N ALA A 138 21.559 10.076 3.436 1.00 40.15 N ATOM 2035 CA ALA A 138 21.106 11.300 3.943 1.00 62.35 C ATOM 2036 C ALA A 138 20.481 12.126 2.820 1.00 34.11 C ATOM 2037 O ALA A 138 20.181 13.279 3.014 1.00 55.22 O ATOM 2038 CB ALA A 138 22.237 12.039 4.622 1.00 40.34 C ATOM 0 H ALA A 138 22.570 10.025 3.315 1.00 40.15 H new ATOM 0 HA ALA A 138 20.338 11.120 4.695 1.00 62.35 H new ATOM 0 HB1 ALA A 138 21.869 12.989 5.011 1.00 40.34 H new ATOM 0 HB2 ALA A 138 22.624 11.436 5.443 1.00 40.34 H new ATOM 0 HB3 ALA A 138 23.034 12.226 3.902 1.00 40.34 H new ATOM 2044 N ALA A 139 20.313 11.530 1.627 1.00 25.10 N ATOM 2045 CA ALA A 139 19.568 12.162 0.547 1.00 44.11 C ATOM 2046 C ALA A 139 18.126 12.232 0.943 1.00 44.32 C ATOM 2047 O ALA A 139 17.441 13.191 0.660 1.00 20.24 O ATOM 2048 CB ALA A 139 19.698 11.365 -0.728 1.00 41.04 C ATOM 0 H ALA A 139 20.687 10.610 1.395 1.00 25.10 H new ATOM 0 HA ALA A 139 19.967 13.161 0.371 1.00 44.11 H new ATOM 0 HB1 ALA A 139 19.134 11.854 -1.522 1.00 41.04 H new ATOM 0 HB2 ALA A 139 20.748 11.304 -1.013 1.00 41.04 H new ATOM 0 HB3 ALA A 139 19.306 10.360 -0.571 1.00 41.04 H new ATOM 2054 N TRP A 140 17.702 11.217 1.667 1.00 33.31 N ATOM 2055 CA TRP A 140 16.347 11.111 2.161 1.00 4.31 C ATOM 2056 C TRP A 140 16.086 12.208 3.210 1.00 14.00 C ATOM 2057 O TRP A 140 14.976 12.682 3.372 1.00 15.44 O ATOM 2058 CB TRP A 140 16.158 9.699 2.751 1.00 42.23 C ATOM 2059 CG TRP A 140 14.822 9.430 3.371 1.00 60.42 C ATOM 2060 CD1 TRP A 140 13.608 9.449 2.752 1.00 14.43 C ATOM 2061 CD2 TRP A 140 14.576 9.056 4.732 1.00 72.34 C ATOM 2062 NE1 TRP A 140 12.618 9.136 3.651 1.00 61.21 N ATOM 2063 CE2 TRP A 140 13.187 8.885 4.873 1.00 51.32 C ATOM 2064 CE3 TRP A 140 15.398 8.855 5.848 1.00 22.22 C ATOM 2065 CZ2 TRP A 140 12.598 8.523 6.082 1.00 25.10 C ATOM 2066 CZ3 TRP A 140 14.813 8.494 7.047 1.00 44.23 C ATOM 2067 CH2 TRP A 140 13.427 8.332 7.155 1.00 31.22 C ATOM 0 H TRP A 140 18.298 10.433 1.932 1.00 33.31 H new ATOM 0 HA TRP A 140 15.627 11.256 1.355 1.00 4.31 H new ATOM 0 HB2 TRP A 140 16.325 8.969 1.959 1.00 42.23 H new ATOM 0 HB3 TRP A 140 16.928 9.534 3.504 1.00 42.23 H new ATOM 0 HD1 TRP A 140 13.448 9.677 1.708 1.00 14.43 H new ATOM 0 HE1 TRP A 140 11.620 9.097 3.443 1.00 61.21 H new ATOM 0 HE3 TRP A 140 16.468 8.980 5.773 1.00 22.22 H new ATOM 0 HZ2 TRP A 140 11.529 8.398 6.170 1.00 25.10 H new ATOM 0 HZ3 TRP A 140 15.436 8.334 7.915 1.00 44.23 H new ATOM 0 HH2 TRP A 140 13.001 8.050 8.107 1.00 31.22 H new