USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=36 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 130 GLN : amide:sc= 0.138 X(o=0.27,f=0) USER MOD Set 1.2: A 135 TYR OH : rot 66:sc= 0.134 USER MOD Set 2.1: A 37 CYS SG : rot -135:sc= 0.0273 USER MOD Set 2.2: A 41 MET CE :methyl 157:sc= -0.108 (180deg=-0.455) USER MOD Set 2.3: A 75 TYR OH : rot 180:sc= -0.0132 USER MOD Set 2.4: A 79 MET CE :methyl -175:sc= -0.958 (180deg=-0.931) USER MOD Set 3.1: A 31 LYS NZ :NH3+ -175:sc= 0.901! (180deg=-0.506!) USER MOD Set 3.2: A 56 TYR OH : rot 73:sc= -0.326! USER MOD Set 4.1: A 15 LYS NZ :NH3+ 165:sc= 1.13 (180deg=1.01) USER MOD Set 4.2: A 25 HIS : no HE2:sc= -0.0231 K(o=1.1,f=-4.4!) USER MOD Single : A 7 THR OG1 : rot -165:sc= 1.18 USER MOD Single : A 10 GLN : amide:sc= -4.39! C(o=-4.4!,f=-8.9!) USER MOD Single : A 11 MET CE :methyl -148:sc= 0 (180deg=-1.13) USER MOD Single : A 12 GLN : amide:sc= 0.491 K(o=0.49,f=-0.013) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 1.25 K(o=1.3,f=-2.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 72:sc= 0.935 USER MOD Single : A 40 SER OG : rot -24:sc= 0.25 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.923 K(o=-0.92,f=-0.22) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.256 USER MOD Single : A 61 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 64 THR OG1 : rot 18:sc= 0.61 USER MOD Single : A 65 LYS NZ :NH3+ -113:sc= 2.32 (180deg=-1.18) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 71 SER OG : rot 180:sc= 0.123 USER MOD Single : A 74 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.1!) USER MOD Single : A 77 GLN : amide:sc= -3.01! K(o=-3!,f=-0.85) USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -178:sc= 0.453 (180deg=0.342) USER MOD Single : A 82 LYS NZ :NH3+ -107:sc= -0.553 (180deg=-2.26!) USER MOD Single : A 83 ASN : amide:sc= 0.0899 K(o=0.09,f=-1.1) USER MOD Single : A 93 ASN : amide:sc=-0.00194 X(o=-0.0019,f=-0.11) USER MOD Single : A 97 SER OG : rot 67:sc= 1.2 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -179:sc= 0.978 (180deg=0.964) USER MOD Single : A 105 SER OG : rot 93:sc= 1.07 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00473 USER MOD Single : A 111 MET CE :methyl -166:sc= -2.94! (180deg=-3.64) USER MOD Single : A 112 GLN : amide:sc= -0.961 K(o=-0.96,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 174:sc= 0.979 (180deg=0.656) USER MOD Single : A 116 MET CE :methyl -169:sc= -0.216 (180deg=-0.581) USER MOD Single : A 117 SER OG : rot -147:sc= 1.23 USER MOD Single : A 120 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.52) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 144:sc= 2.39 (180deg=1.21!) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 137 TYR OH : rot -158:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -10.721 12.402 10.192 1.00 11.14 N ATOM 41 CA GLY A 5 -10.001 11.340 10.837 1.00 45.21 C ATOM 42 C GLY A 5 -8.981 10.763 9.911 1.00 5.05 C ATOM 43 O GLY A 5 -8.067 10.073 10.331 1.00 2.14 O ATOM 0 HA2 GLY A 5 -9.513 11.717 11.736 1.00 45.21 H new ATOM 0 HA3 GLY A 5 -10.695 10.562 11.154 1.00 45.21 H new ATOM 47 N VAL A 6 -9.144 11.048 8.642 1.00 50.24 N ATOM 48 CA VAL A 6 -8.213 10.591 7.643 1.00 51.04 C ATOM 49 C VAL A 6 -7.180 11.664 7.488 1.00 72.22 C ATOM 50 O VAL A 6 -7.498 12.849 7.582 1.00 0.20 O ATOM 51 CB VAL A 6 -8.863 10.411 6.265 1.00 13.32 C ATOM 52 CG1 VAL A 6 -7.996 9.568 5.327 1.00 40.41 C ATOM 53 CG2 VAL A 6 -10.292 9.914 6.346 1.00 0.42 C ATOM 0 H VAL A 6 -9.920 11.599 8.276 1.00 50.24 H new ATOM 0 HA VAL A 6 -7.814 9.629 7.966 1.00 51.04 H new ATOM 0 HB VAL A 6 -8.924 11.405 5.823 1.00 13.32 H new ATOM 0 HG11 VAL A 6 -8.495 9.467 4.363 1.00 40.41 H new ATOM 0 HG12 VAL A 6 -7.031 10.056 5.187 1.00 40.41 H new ATOM 0 HG13 VAL A 6 -7.843 8.580 5.762 1.00 40.41 H new ATOM 0 HG21 VAL A 6 -10.697 9.807 5.340 1.00 0.42 H new ATOM 0 HG22 VAL A 6 -10.313 8.948 6.851 1.00 0.42 H new ATOM 0 HG23 VAL A 6 -10.895 10.629 6.906 1.00 0.42 H new ATOM 63 N THR A 7 -5.997 11.271 7.240 1.00 34.15 N ATOM 64 CA THR A 7 -4.929 12.181 7.118 1.00 22.34 C ATOM 65 C THR A 7 -4.443 12.252 5.644 1.00 65.15 C ATOM 66 O THR A 7 -4.847 11.409 4.775 1.00 55.51 O ATOM 67 CB THR A 7 -3.807 11.751 8.067 1.00 42.41 C ATOM 68 OG1 THR A 7 -2.764 12.718 8.056 1.00 41.31 O ATOM 69 CG2 THR A 7 -3.308 10.371 7.664 1.00 24.30 C ATOM 0 H THR A 7 -5.735 10.293 7.113 1.00 34.15 H new ATOM 0 HA THR A 7 -5.256 13.184 7.394 1.00 22.34 H new ATOM 0 HB THR A 7 -4.183 11.689 9.088 1.00 42.41 H new ATOM 0 HG1 THR A 7 -1.961 12.338 8.470 1.00 41.31 H new ATOM 0 HG21 THR A 7 -2.509 10.062 8.338 1.00 24.30 H new ATOM 0 HG22 THR A 7 -4.129 9.656 7.722 1.00 24.30 H new ATOM 0 HG23 THR A 7 -2.928 10.405 6.643 1.00 24.30 H new ATOM 77 N ALA A 8 -3.556 13.202 5.379 1.00 60.32 N ATOM 78 CA ALA A 8 -3.051 13.471 4.045 1.00 73.13 C ATOM 79 C ALA A 8 -2.236 12.300 3.544 1.00 32.15 C ATOM 80 O ALA A 8 -2.298 11.953 2.366 1.00 52.42 O ATOM 81 CB ALA A 8 -2.221 14.746 4.037 1.00 35.12 C ATOM 0 H ALA A 8 -3.164 13.813 6.095 1.00 60.32 H new ATOM 0 HA ALA A 8 -3.899 13.611 3.375 1.00 73.13 H new ATOM 0 HB1 ALA A 8 -1.850 14.932 3.029 1.00 35.12 H new ATOM 0 HB2 ALA A 8 -2.839 15.585 4.357 1.00 35.12 H new ATOM 0 HB3 ALA A 8 -1.378 14.636 4.719 1.00 35.12 H new ATOM 87 N GLU A 9 -1.486 11.701 4.453 1.00 1.32 N ATOM 88 CA GLU A 9 -0.692 10.517 4.187 1.00 34.43 C ATOM 89 C GLU A 9 -1.563 9.437 3.577 1.00 74.33 C ATOM 90 O GLU A 9 -1.253 8.931 2.500 1.00 24.44 O ATOM 91 CB GLU A 9 -0.009 9.953 5.462 1.00 63.13 C ATOM 92 CG GLU A 9 0.858 10.936 6.260 1.00 72.11 C ATOM 93 CD GLU A 9 0.033 11.945 7.021 1.00 35.10 C ATOM 94 OE1 GLU A 9 -0.345 11.665 8.165 1.00 4.44 O ATOM 95 OE2 GLU A 9 -0.317 12.986 6.451 1.00 40.12 O ATOM 0 H GLU A 9 -1.411 12.032 5.415 1.00 1.32 H new ATOM 0 HA GLU A 9 0.094 10.816 3.493 1.00 34.43 H new ATOM 0 HB2 GLU A 9 -0.785 9.566 6.123 1.00 63.13 H new ATOM 0 HB3 GLU A 9 0.613 9.106 5.171 1.00 63.13 H new ATOM 0 HG2 GLU A 9 1.483 10.380 6.959 1.00 72.11 H new ATOM 0 HG3 GLU A 9 1.529 11.459 5.579 1.00 72.11 H new ATOM 102 N GLN A 10 -2.712 9.141 4.215 1.00 23.12 N ATOM 103 CA GLN A 10 -3.563 8.083 3.703 1.00 70.45 C ATOM 104 C GLN A 10 -4.102 8.464 2.396 1.00 51.32 C ATOM 105 O GLN A 10 -4.160 7.646 1.495 1.00 2.51 O ATOM 106 CB GLN A 10 -4.734 7.706 4.561 1.00 33.24 C ATOM 107 CG GLN A 10 -5.226 6.359 4.127 1.00 65.23 C ATOM 108 CD GLN A 10 -6.276 5.760 5.002 1.00 33.43 C ATOM 109 OE1 GLN A 10 -7.071 6.460 5.607 1.00 30.53 O ATOM 110 NE2 GLN A 10 -6.285 4.460 5.086 1.00 20.53 N ATOM 0 H GLN A 10 -3.052 9.608 5.055 1.00 23.12 H new ATOM 0 HA GLN A 10 -2.903 7.217 3.665 1.00 70.45 H new ATOM 0 HB2 GLN A 10 -4.442 7.683 5.611 1.00 33.24 H new ATOM 0 HB3 GLN A 10 -5.527 8.448 4.467 1.00 33.24 H new ATOM 0 HG2 GLN A 10 -5.622 6.442 3.115 1.00 65.23 H new ATOM 0 HG3 GLN A 10 -4.378 5.676 4.083 1.00 65.23 H new ATOM 0 HE21 GLN A 10 -5.603 3.910 4.564 1.00 20.53 H new ATOM 0 HE22 GLN A 10 -6.974 3.992 5.674 1.00 20.53 H new ATOM 119 N MET A 11 -4.474 9.730 2.270 1.00 62.45 N ATOM 120 CA MET A 11 -5.008 10.235 1.008 1.00 60.12 C ATOM 121 C MET A 11 -4.004 10.005 -0.143 1.00 75.23 C ATOM 122 O MET A 11 -4.375 10.043 -1.296 1.00 51.12 O ATOM 123 CB MET A 11 -5.384 11.719 1.083 1.00 60.13 C ATOM 124 CG MET A 11 -6.464 12.100 2.084 1.00 32.45 C ATOM 125 SD MET A 11 -8.080 11.354 1.759 1.00 34.03 S ATOM 126 CE MET A 11 -9.057 12.217 2.977 1.00 23.14 C ATOM 0 H MET A 11 -4.418 10.422 3.017 1.00 62.45 H new ATOM 0 HA MET A 11 -5.921 9.674 0.809 1.00 60.12 H new ATOM 0 HB2 MET A 11 -4.484 12.286 1.321 1.00 60.13 H new ATOM 0 HB3 MET A 11 -5.710 12.038 0.093 1.00 60.13 H new ATOM 0 HG2 MET A 11 -6.137 11.808 3.082 1.00 32.45 H new ATOM 0 HG3 MET A 11 -6.572 13.185 2.088 1.00 32.45 H new ATOM 0 HE1 MET A 11 -9.857 11.566 3.329 1.00 23.14 H new ATOM 0 HE2 MET A 11 -8.423 12.500 3.817 1.00 23.14 H new ATOM 0 HE3 MET A 11 -9.488 13.113 2.530 1.00 23.14 H new ATOM 136 N GLN A 12 -2.735 9.791 0.197 1.00 62.42 N ATOM 137 CA GLN A 12 -1.728 9.461 -0.775 1.00 51.11 C ATOM 138 C GLN A 12 -1.575 7.925 -0.903 1.00 3.45 C ATOM 139 O GLN A 12 -1.478 7.409 -2.022 1.00 42.03 O ATOM 140 CB GLN A 12 -0.383 10.116 -0.406 1.00 13.24 C ATOM 141 CG GLN A 12 0.764 9.821 -1.374 1.00 72.23 C ATOM 142 CD GLN A 12 0.482 10.286 -2.794 1.00 74.42 C ATOM 143 OE1 GLN A 12 0.784 11.409 -3.164 1.00 53.30 O ATOM 144 NE2 GLN A 12 -0.087 9.423 -3.597 1.00 63.01 N ATOM 0 H GLN A 12 -2.389 9.844 1.155 1.00 62.42 H new ATOM 0 HA GLN A 12 -2.043 9.852 -1.742 1.00 51.11 H new ATOM 0 HB2 GLN A 12 -0.524 11.195 -0.351 1.00 13.24 H new ATOM 0 HB3 GLN A 12 -0.094 9.781 0.590 1.00 13.24 H new ATOM 0 HG2 GLN A 12 1.670 10.307 -1.012 1.00 72.23 H new ATOM 0 HG3 GLN A 12 0.958 8.748 -1.381 1.00 72.23 H new ATOM 0 HE21 GLN A 12 -0.327 8.492 -3.257 1.00 63.01 H new ATOM 0 HE22 GLN A 12 -0.290 9.682 -4.562 1.00 63.01 H new ATOM 153 N GLU A 13 -1.622 7.195 0.236 1.00 51.04 N ATOM 154 CA GLU A 13 -1.387 5.739 0.238 1.00 1.22 C ATOM 155 C GLU A 13 -2.538 5.055 -0.467 1.00 30.11 C ATOM 156 O GLU A 13 -2.404 4.466 -1.543 1.00 43.42 O ATOM 157 CB GLU A 13 -1.382 5.199 1.680 1.00 21.23 C ATOM 158 CG GLU A 13 -0.454 5.883 2.659 1.00 23.43 C ATOM 159 CD GLU A 13 -0.680 5.374 4.073 1.00 62.32 C ATOM 160 OE1 GLU A 13 -1.821 5.528 4.589 1.00 5.12 O ATOM 161 OE2 GLU A 13 0.241 4.794 4.657 1.00 2.11 O ATOM 0 H GLU A 13 -1.819 7.590 1.156 1.00 51.04 H new ATOM 0 HA GLU A 13 -0.432 5.547 -0.251 1.00 1.22 H new ATOM 0 HB2 GLU A 13 -2.397 5.264 2.071 1.00 21.23 H new ATOM 0 HB3 GLU A 13 -1.121 4.141 1.646 1.00 21.23 H new ATOM 0 HG2 GLU A 13 0.581 5.707 2.367 1.00 23.43 H new ATOM 0 HG3 GLU A 13 -0.616 6.960 2.627 1.00 23.43 H new ATOM 168 N PHE A 14 -3.684 5.287 0.109 1.00 13.53 N ATOM 169 CA PHE A 14 -4.927 4.660 -0.209 1.00 14.12 C ATOM 170 C PHE A 14 -5.365 5.009 -1.613 1.00 21.12 C ATOM 171 O PHE A 14 -5.974 4.189 -2.313 1.00 23.41 O ATOM 172 CB PHE A 14 -5.902 5.069 0.894 1.00 21.35 C ATOM 173 CG PHE A 14 -7.018 5.895 0.518 1.00 12.10 C ATOM 174 CD1 PHE A 14 -8.119 5.319 0.040 1.00 24.30 C ATOM 175 CD2 PHE A 14 -6.971 7.240 0.665 1.00 33.24 C ATOM 176 CE1 PHE A 14 -9.176 6.031 -0.300 1.00 5.21 C ATOM 177 CE2 PHE A 14 -8.024 8.001 0.327 1.00 24.31 C ATOM 178 CZ PHE A 14 -9.150 7.402 -0.164 1.00 64.30 C ATOM 0 H PHE A 14 -3.776 5.966 0.864 1.00 13.53 H new ATOM 0 HA PHE A 14 -4.860 3.572 -0.227 1.00 14.12 H new ATOM 0 HB2 PHE A 14 -6.294 4.160 1.351 1.00 21.35 H new ATOM 0 HB3 PHE A 14 -5.338 5.595 1.664 1.00 21.35 H new ATOM 0 HD1 PHE A 14 -8.147 4.245 -0.072 1.00 24.30 H new ATOM 0 HD2 PHE A 14 -6.079 7.705 1.058 1.00 33.24 H new ATOM 0 HE1 PHE A 14 -10.059 5.541 -0.684 1.00 5.21 H new ATOM 0 HE2 PHE A 14 -7.982 9.074 0.442 1.00 24.31 H new ATOM 0 HZ PHE A 14 -10.008 7.996 -0.442 1.00 64.30 H new ATOM 188 N LYS A 15 -4.989 6.198 -2.039 1.00 63.11 N ATOM 189 CA LYS A 15 -5.222 6.651 -3.381 1.00 72.31 C ATOM 190 C LYS A 15 -4.509 5.739 -4.366 1.00 51.13 C ATOM 191 O LYS A 15 -5.096 5.323 -5.331 1.00 2.42 O ATOM 192 CB LYS A 15 -4.787 8.122 -3.509 1.00 23.42 C ATOM 193 CG LYS A 15 -4.652 8.712 -4.932 1.00 10.24 C ATOM 194 CD LYS A 15 -5.941 8.605 -5.741 1.00 74.12 C ATOM 195 CE LYS A 15 -5.816 9.256 -7.118 1.00 32.33 C ATOM 196 NZ LYS A 15 -6.912 8.828 -8.036 1.00 55.42 N ATOM 0 H LYS A 15 -4.508 6.879 -1.451 1.00 63.11 H new ATOM 0 HA LYS A 15 -6.285 6.604 -3.618 1.00 72.31 H new ATOM 0 HB2 LYS A 15 -5.504 8.732 -2.960 1.00 23.42 H new ATOM 0 HB3 LYS A 15 -3.825 8.232 -3.008 1.00 23.42 H new ATOM 0 HG2 LYS A 15 -4.360 9.760 -4.860 1.00 10.24 H new ATOM 0 HG3 LYS A 15 -3.852 8.194 -5.461 1.00 10.24 H new ATOM 0 HD2 LYS A 15 -6.206 7.555 -5.861 1.00 74.12 H new ATOM 0 HD3 LYS A 15 -6.754 9.078 -5.190 1.00 74.12 H new ATOM 0 HE2 LYS A 15 -5.835 10.340 -7.010 1.00 32.33 H new ATOM 0 HE3 LYS A 15 -4.853 8.996 -7.557 1.00 32.33 H new ATOM 0 HZ1 LYS A 15 -6.947 9.466 -8.856 1.00 55.42 H new ATOM 0 HZ2 LYS A 15 -6.733 7.856 -8.361 1.00 55.42 H new ATOM 0 HZ3 LYS A 15 -7.821 8.862 -7.531 1.00 55.42 H new ATOM 210 N GLN A 16 -3.283 5.359 -4.053 1.00 23.43 N ATOM 211 CA GLN A 16 -2.510 4.498 -4.933 1.00 71.22 C ATOM 212 C GLN A 16 -3.022 3.065 -4.854 1.00 33.21 C ATOM 213 O GLN A 16 -3.088 2.357 -5.874 1.00 73.42 O ATOM 214 CB GLN A 16 -1.019 4.563 -4.585 1.00 51.53 C ATOM 215 CG GLN A 16 -0.388 5.922 -4.849 1.00 2.40 C ATOM 216 CD GLN A 16 1.057 5.999 -4.397 1.00 33.15 C ATOM 217 OE1 GLN A 16 1.345 6.378 -3.276 1.00 33.01 O ATOM 218 NE2 GLN A 16 1.969 5.633 -5.264 1.00 3.12 N ATOM 0 H GLN A 16 -2.801 5.632 -3.197 1.00 23.43 H new ATOM 0 HA GLN A 16 -2.632 4.852 -5.957 1.00 71.22 H new ATOM 0 HB2 GLN A 16 -0.889 4.310 -3.533 1.00 51.53 H new ATOM 0 HB3 GLN A 16 -0.487 3.807 -5.162 1.00 51.53 H new ATOM 0 HG2 GLN A 16 -0.442 6.141 -5.915 1.00 2.40 H new ATOM 0 HG3 GLN A 16 -0.965 6.691 -4.336 1.00 2.40 H new ATOM 0 HE21 GLN A 16 1.692 5.321 -6.195 1.00 3.12 H new ATOM 0 HE22 GLN A 16 2.956 5.660 -5.008 1.00 3.12 H new ATOM 227 N SER A 17 -3.413 2.659 -3.651 1.00 4.45 N ATOM 228 CA SER A 17 -3.932 1.330 -3.403 1.00 2.35 C ATOM 229 C SER A 17 -5.177 1.042 -4.252 1.00 1.14 C ATOM 230 O SER A 17 -5.294 -0.044 -4.835 1.00 54.34 O ATOM 231 CB SER A 17 -4.245 1.167 -1.933 1.00 44.11 C ATOM 232 OG SER A 17 -3.144 1.595 -1.143 1.00 35.11 O ATOM 0 H SER A 17 -3.376 3.250 -2.820 1.00 4.45 H new ATOM 0 HA SER A 17 -3.167 0.609 -3.690 1.00 2.35 H new ATOM 0 HB2 SER A 17 -5.132 1.746 -1.677 1.00 44.11 H new ATOM 0 HB3 SER A 17 -4.473 0.123 -1.716 1.00 44.11 H new ATOM 0 HG SER A 17 -3.361 1.486 -0.193 1.00 35.11 H new ATOM 238 N PHE A 18 -6.118 1.995 -4.335 1.00 54.41 N ATOM 239 CA PHE A 18 -7.247 1.754 -5.208 1.00 23.44 C ATOM 240 C PHE A 18 -6.866 1.925 -6.653 1.00 61.15 C ATOM 241 O PHE A 18 -7.152 1.070 -7.441 1.00 53.23 O ATOM 242 CB PHE A 18 -8.555 2.534 -4.864 1.00 20.02 C ATOM 243 CG PHE A 18 -8.529 4.036 -4.838 1.00 3.12 C ATOM 244 CD1 PHE A 18 -8.380 4.802 -6.000 1.00 51.52 C ATOM 245 CD2 PHE A 18 -8.707 4.686 -3.645 1.00 62.14 C ATOM 246 CE1 PHE A 18 -8.396 6.167 -5.930 1.00 52.15 C ATOM 247 CE2 PHE A 18 -8.723 6.048 -3.583 1.00 34.22 C ATOM 248 CZ PHE A 18 -8.566 6.788 -4.715 1.00 32.11 C ATOM 0 H PHE A 18 -6.115 2.885 -3.836 1.00 54.41 H new ATOM 0 HA PHE A 18 -7.508 0.712 -5.025 1.00 23.44 H new ATOM 0 HB2 PHE A 18 -9.316 2.232 -5.584 1.00 20.02 H new ATOM 0 HB3 PHE A 18 -8.891 2.195 -3.884 1.00 20.02 H new ATOM 0 HD1 PHE A 18 -8.252 4.313 -6.955 1.00 51.52 H new ATOM 0 HD2 PHE A 18 -8.837 4.111 -2.740 1.00 62.14 H new ATOM 0 HE1 PHE A 18 -8.275 6.756 -6.827 1.00 52.15 H new ATOM 0 HE2 PHE A 18 -8.861 6.542 -2.632 1.00 34.22 H new ATOM 0 HZ PHE A 18 -8.575 7.866 -4.658 1.00 32.11 H new ATOM 258 N ASP A 19 -6.114 2.990 -6.930 1.00 5.43 N ATOM 259 CA ASP A 19 -5.723 3.442 -8.293 1.00 64.41 C ATOM 260 C ASP A 19 -5.157 2.324 -9.118 1.00 33.15 C ATOM 261 O ASP A 19 -5.473 2.175 -10.282 1.00 71.11 O ATOM 262 CB ASP A 19 -4.663 4.511 -8.164 1.00 45.02 C ATOM 263 CG ASP A 19 -4.970 5.756 -8.943 1.00 30.02 C ATOM 264 OD1 ASP A 19 -5.801 6.559 -8.474 1.00 40.32 O ATOM 265 OD2 ASP A 19 -4.376 5.987 -10.002 1.00 22.41 O ATOM 0 H ASP A 19 -5.740 3.592 -6.196 1.00 5.43 H new ATOM 0 HA ASP A 19 -6.619 3.817 -8.788 1.00 64.41 H new ATOM 0 HB2 ASP A 19 -4.546 4.770 -7.112 1.00 45.02 H new ATOM 0 HB3 ASP A 19 -3.708 4.107 -8.501 1.00 45.02 H new ATOM 270 N ALA A 20 -4.310 1.534 -8.488 1.00 23.30 N ATOM 271 CA ALA A 20 -3.682 0.403 -9.131 1.00 42.10 C ATOM 272 C ALA A 20 -4.727 -0.589 -9.681 1.00 50.24 C ATOM 273 O ALA A 20 -4.572 -1.138 -10.769 1.00 12.23 O ATOM 274 CB ALA A 20 -2.774 -0.297 -8.121 1.00 53.54 C ATOM 0 H ALA A 20 -4.039 1.661 -7.513 1.00 23.30 H new ATOM 0 HA ALA A 20 -3.097 0.763 -9.977 1.00 42.10 H new ATOM 0 HB1 ALA A 20 -2.294 -1.153 -8.595 1.00 53.54 H new ATOM 0 HB2 ALA A 20 -2.011 0.400 -7.773 1.00 53.54 H new ATOM 0 HB3 ALA A 20 -3.368 -0.638 -7.273 1.00 53.54 H new ATOM 280 N PHE A 21 -5.748 -0.834 -8.894 1.00 61.13 N ATOM 281 CA PHE A 21 -6.774 -1.809 -9.216 1.00 2.44 C ATOM 282 C PHE A 21 -8.096 -1.181 -9.699 1.00 45.41 C ATOM 283 O PHE A 21 -9.087 -1.891 -9.868 1.00 31.44 O ATOM 284 CB PHE A 21 -6.995 -2.705 -8.011 1.00 73.04 C ATOM 285 CG PHE A 21 -5.729 -3.388 -7.565 1.00 1.04 C ATOM 286 CD1 PHE A 21 -5.188 -4.418 -8.308 1.00 13.23 C ATOM 287 CD2 PHE A 21 -5.070 -2.979 -6.414 1.00 44.21 C ATOM 288 CE1 PHE A 21 -4.020 -5.030 -7.914 1.00 62.22 C ATOM 289 CE2 PHE A 21 -3.900 -3.587 -6.015 1.00 63.33 C ATOM 290 CZ PHE A 21 -3.374 -4.615 -6.765 1.00 44.24 C ATOM 0 H PHE A 21 -5.895 -0.360 -8.003 1.00 61.13 H new ATOM 0 HA PHE A 21 -6.417 -2.397 -10.061 1.00 2.44 H new ATOM 0 HB2 PHE A 21 -7.394 -2.111 -7.188 1.00 73.04 H new ATOM 0 HB3 PHE A 21 -7.745 -3.458 -8.254 1.00 73.04 H new ATOM 0 HD1 PHE A 21 -5.687 -4.747 -9.208 1.00 13.23 H new ATOM 0 HD2 PHE A 21 -5.480 -2.173 -5.823 1.00 44.21 H new ATOM 0 HE1 PHE A 21 -3.608 -5.836 -8.503 1.00 62.22 H new ATOM 0 HE2 PHE A 21 -3.397 -3.259 -5.117 1.00 63.33 H new ATOM 0 HZ PHE A 21 -2.458 -5.096 -6.456 1.00 44.24 H new ATOM 300 N ASP A 22 -8.097 0.114 -9.902 1.00 34.11 N ATOM 301 CA ASP A 22 -9.305 0.870 -10.276 1.00 1.05 C ATOM 302 C ASP A 22 -9.125 1.541 -11.612 1.00 32.21 C ATOM 303 O ASP A 22 -8.064 2.090 -11.907 1.00 60.13 O ATOM 304 CB ASP A 22 -9.694 1.870 -9.143 1.00 12.03 C ATOM 305 CG ASP A 22 -10.187 3.246 -9.594 1.00 62.43 C ATOM 306 OD1 ASP A 22 -11.255 3.360 -10.234 1.00 3.40 O ATOM 307 OD2 ASP A 22 -9.519 4.242 -9.277 1.00 4.11 O ATOM 0 H ASP A 22 -7.262 0.693 -9.816 1.00 34.11 H new ATOM 0 HA ASP A 22 -10.139 0.177 -10.388 1.00 1.05 H new ATOM 0 HB2 ASP A 22 -10.472 1.411 -8.533 1.00 12.03 H new ATOM 0 HB3 ASP A 22 -8.826 2.012 -8.499 1.00 12.03 H new ATOM 312 N GLY A 23 -10.134 1.456 -12.439 1.00 72.34 N ATOM 313 CA GLY A 23 -10.027 2.002 -13.757 1.00 45.15 C ATOM 314 C GLY A 23 -10.742 3.319 -13.933 1.00 52.34 C ATOM 315 O GLY A 23 -10.842 3.821 -15.064 1.00 34.23 O ATOM 0 H GLY A 23 -11.029 1.018 -12.222 1.00 72.34 H new ATOM 0 HA2 GLY A 23 -8.973 2.137 -13.999 1.00 45.15 H new ATOM 0 HA3 GLY A 23 -10.429 1.283 -14.471 1.00 45.15 H new ATOM 319 N ASN A 24 -11.238 3.893 -12.864 1.00 25.14 N ATOM 320 CA ASN A 24 -11.969 5.139 -12.977 1.00 1.25 C ATOM 321 C ASN A 24 -11.232 6.316 -12.271 1.00 43.33 C ATOM 322 O ASN A 24 -11.391 7.477 -12.667 1.00 73.31 O ATOM 323 CB ASN A 24 -13.395 4.906 -12.429 1.00 51.53 C ATOM 324 CG ASN A 24 -13.786 5.807 -11.291 1.00 53.45 C ATOM 325 OD1 ASN A 24 -14.385 6.856 -11.503 1.00 53.23 O ATOM 326 ND2 ASN A 24 -13.426 5.422 -10.090 1.00 53.05 N ATOM 0 H ASN A 24 -11.153 3.526 -11.916 1.00 25.14 H new ATOM 0 HA ASN A 24 -12.034 5.440 -14.023 1.00 1.25 H new ATOM 0 HB2 ASN A 24 -14.108 5.040 -13.242 1.00 51.53 H new ATOM 0 HB3 ASN A 24 -13.478 3.870 -12.100 1.00 51.53 H new ATOM 0 HD21 ASN A 24 -13.643 6.004 -9.281 1.00 53.05 H new ATOM 0 HD22 ASN A 24 -12.929 4.540 -9.965 1.00 53.05 H new ATOM 333 N HIS A 25 -10.374 5.990 -11.294 1.00 24.54 N ATOM 334 CA HIS A 25 -9.426 6.932 -10.640 1.00 15.43 C ATOM 335 C HIS A 25 -10.092 8.223 -10.002 1.00 33.23 C ATOM 336 O HIS A 25 -9.387 9.166 -9.590 1.00 64.24 O ATOM 337 CB HIS A 25 -8.281 7.220 -11.688 1.00 34.21 C ATOM 338 CG HIS A 25 -7.218 8.272 -11.397 1.00 14.24 C ATOM 339 ND1 HIS A 25 -5.932 7.986 -10.986 1.00 71.33 N ATOM 340 CD2 HIS A 25 -7.250 9.624 -11.553 1.00 35.44 C ATOM 341 CE1 HIS A 25 -5.247 9.119 -10.914 1.00 30.45 C ATOM 342 NE2 HIS A 25 -6.000 10.151 -11.243 1.00 3.33 N ATOM 0 H HIS A 25 -10.311 5.043 -10.920 1.00 24.54 H new ATOM 0 HA HIS A 25 -9.004 6.470 -9.748 1.00 15.43 H new ATOM 0 HB2 HIS A 25 -7.762 6.278 -11.866 1.00 34.21 H new ATOM 0 HB3 HIS A 25 -8.764 7.500 -12.624 1.00 34.21 H new ATOM 0 HD1 HIS A 25 -5.569 7.057 -10.773 1.00 71.33 H new ATOM 0 HD2 HIS A 25 -8.110 10.197 -11.868 1.00 35.44 H new ATOM 0 HE1 HIS A 25 -4.209 9.188 -10.624 1.00 30.45 H new ATOM 350 N ASP A 26 -11.407 8.193 -9.760 1.00 45.53 N ATOM 351 CA ASP A 26 -12.131 9.389 -9.206 1.00 55.01 C ATOM 352 C ASP A 26 -11.891 9.509 -7.703 1.00 21.34 C ATOM 353 O ASP A 26 -12.037 10.581 -7.110 1.00 23.20 O ATOM 354 CB ASP A 26 -13.652 9.309 -9.448 1.00 52.21 C ATOM 355 CG ASP A 26 -14.350 8.394 -8.457 1.00 3.35 C ATOM 356 OD1 ASP A 26 -13.855 7.259 -8.251 1.00 55.42 O ATOM 357 OD2 ASP A 26 -15.339 8.818 -7.832 1.00 24.24 O ATOM 0 H ASP A 26 -12.000 7.380 -9.928 1.00 45.53 H new ATOM 0 HA ASP A 26 -11.736 10.261 -9.727 1.00 55.01 H new ATOM 0 HB2 ASP A 26 -14.081 10.309 -9.379 1.00 52.21 H new ATOM 0 HB3 ASP A 26 -13.837 8.952 -10.461 1.00 52.21 H new ATOM 362 N GLY A 27 -11.426 8.433 -7.125 1.00 63.44 N ATOM 363 CA GLY A 27 -11.208 8.374 -5.719 1.00 63.32 C ATOM 364 C GLY A 27 -12.117 7.400 -5.004 1.00 72.03 C ATOM 365 O GLY A 27 -12.050 7.280 -3.770 1.00 24.22 O ATOM 0 H GLY A 27 -11.190 7.575 -7.624 1.00 63.44 H new ATOM 0 HA2 GLY A 27 -10.171 8.094 -5.532 1.00 63.32 H new ATOM 0 HA3 GLY A 27 -11.351 9.368 -5.296 1.00 63.32 H new ATOM 369 N ILE A 28 -12.953 6.700 -5.735 1.00 4.24 N ATOM 370 CA ILE A 28 -13.699 5.614 -5.146 1.00 70.10 C ATOM 371 C ILE A 28 -13.333 4.340 -5.907 1.00 34.42 C ATOM 372 O ILE A 28 -12.609 4.398 -6.891 1.00 62.14 O ATOM 373 CB ILE A 28 -15.260 5.798 -5.191 1.00 54.11 C ATOM 374 CG1 ILE A 28 -15.808 5.650 -6.629 1.00 61.12 C ATOM 375 CG2 ILE A 28 -15.643 7.164 -4.644 1.00 33.35 C ATOM 376 CD1 ILE A 28 -17.320 5.732 -6.738 1.00 75.52 C ATOM 0 H ILE A 28 -13.132 6.860 -6.726 1.00 4.24 H new ATOM 0 HA ILE A 28 -13.432 5.573 -4.090 1.00 70.10 H new ATOM 0 HB ILE A 28 -15.701 5.016 -4.573 1.00 54.11 H new ATOM 0 HG12 ILE A 28 -15.369 6.428 -7.254 1.00 61.12 H new ATOM 0 HG13 ILE A 28 -15.479 4.693 -7.033 1.00 61.12 H new ATOM 0 HG21 ILE A 28 -16.726 7.280 -4.680 1.00 33.35 H new ATOM 0 HG22 ILE A 28 -15.303 7.251 -3.612 1.00 33.35 H new ATOM 0 HG23 ILE A 28 -15.175 7.942 -5.247 1.00 33.35 H new ATOM 0 HD11 ILE A 28 -17.616 5.618 -7.781 1.00 75.52 H new ATOM 0 HD12 ILE A 28 -17.771 4.937 -6.144 1.00 75.52 H new ATOM 0 HD13 ILE A 28 -17.660 6.699 -6.368 1.00 75.52 H new ATOM 388 N LEU A 29 -13.790 3.207 -5.434 1.00 74.44 N ATOM 389 CA LEU A 29 -13.539 1.964 -6.114 1.00 51.30 C ATOM 390 C LEU A 29 -14.864 1.166 -6.245 1.00 31.21 C ATOM 391 O LEU A 29 -15.701 1.187 -5.310 1.00 72.41 O ATOM 392 CB LEU A 29 -12.491 1.171 -5.316 1.00 34.30 C ATOM 393 CG LEU A 29 -11.421 0.453 -6.124 1.00 40.24 C ATOM 394 CD1 LEU A 29 -10.443 -0.233 -5.225 1.00 52.22 C ATOM 395 CD2 LEU A 29 -12.019 -0.532 -7.036 1.00 32.33 C ATOM 0 H LEU A 29 -14.339 3.122 -4.579 1.00 74.44 H new ATOM 0 HA LEU A 29 -13.156 2.148 -7.118 1.00 51.30 H new ATOM 0 HB2 LEU A 29 -11.996 1.857 -4.628 1.00 34.30 H new ATOM 0 HB3 LEU A 29 -13.013 0.432 -4.709 1.00 34.30 H new ATOM 0 HG LEU A 29 -10.897 1.207 -6.712 1.00 40.24 H new ATOM 0 HD11 LEU A 29 -9.688 -0.739 -5.827 1.00 52.22 H new ATOM 0 HD12 LEU A 29 -9.961 0.504 -4.582 1.00 52.22 H new ATOM 0 HD13 LEU A 29 -10.966 -0.965 -4.609 1.00 52.22 H new ATOM 0 HD21 LEU A 29 -11.231 -1.030 -7.601 1.00 32.33 H new ATOM 0 HD22 LEU A 29 -12.575 -1.271 -6.459 1.00 32.33 H new ATOM 0 HD23 LEU A 29 -12.695 -0.026 -7.725 1.00 32.33 H new ATOM 407 N ASP A 30 -15.067 0.492 -7.374 1.00 5.34 N ATOM 408 CA ASP A 30 -16.236 -0.391 -7.568 1.00 12.03 C ATOM 409 C ASP A 30 -16.063 -1.714 -6.800 1.00 61.13 C ATOM 410 O ASP A 30 -14.950 -2.104 -6.467 1.00 0.23 O ATOM 411 CB ASP A 30 -16.496 -0.653 -9.074 1.00 30.44 C ATOM 412 CG ASP A 30 -17.396 -1.852 -9.319 1.00 44.32 C ATOM 413 OD1 ASP A 30 -18.599 -1.767 -9.032 1.00 60.31 O ATOM 414 OD2 ASP A 30 -16.873 -2.923 -9.694 1.00 33.44 O ATOM 0 H ASP A 30 -14.440 0.535 -8.177 1.00 5.34 H new ATOM 0 HA ASP A 30 -17.109 0.120 -7.163 1.00 12.03 H new ATOM 0 HB2 ASP A 30 -16.950 0.233 -9.518 1.00 30.44 H new ATOM 0 HB3 ASP A 30 -15.543 -0.811 -9.580 1.00 30.44 H new ATOM 419 N LYS A 31 -17.170 -2.398 -6.545 1.00 50.32 N ATOM 420 CA LYS A 31 -17.201 -3.634 -5.792 1.00 73.41 C ATOM 421 C LYS A 31 -16.428 -4.763 -6.528 1.00 2.15 C ATOM 422 O LYS A 31 -15.645 -5.528 -5.900 1.00 41.31 O ATOM 423 CB LYS A 31 -18.666 -4.064 -5.586 1.00 64.34 C ATOM 424 CG LYS A 31 -18.838 -5.288 -4.705 1.00 3.42 C ATOM 425 CD LYS A 31 -20.275 -5.778 -4.675 1.00 34.35 C ATOM 426 CE LYS A 31 -20.442 -6.967 -3.726 1.00 52.22 C ATOM 427 NZ LYS A 31 -19.642 -8.166 -4.119 1.00 54.13 N ATOM 0 H LYS A 31 -18.091 -2.098 -6.866 1.00 50.32 H new ATOM 0 HA LYS A 31 -16.718 -3.464 -4.830 1.00 73.41 H new ATOM 0 HB2 LYS A 31 -19.218 -3.233 -5.146 1.00 64.34 H new ATOM 0 HB3 LYS A 31 -19.114 -4.265 -6.559 1.00 64.34 H new ATOM 0 HG2 LYS A 31 -18.191 -6.087 -5.067 1.00 3.42 H new ATOM 0 HG3 LYS A 31 -18.516 -5.051 -3.691 1.00 3.42 H new ATOM 0 HD2 LYS A 31 -20.931 -4.966 -4.362 1.00 34.35 H new ATOM 0 HD3 LYS A 31 -20.583 -6.067 -5.680 1.00 34.35 H new ATOM 0 HE2 LYS A 31 -20.152 -6.662 -2.721 1.00 52.22 H new ATOM 0 HE3 LYS A 31 -21.496 -7.242 -3.684 1.00 52.22 H new ATOM 0 HZ1 LYS A 31 -19.868 -8.958 -3.483 1.00 54.13 H new ATOM 0 HZ2 LYS A 31 -19.872 -8.432 -5.098 1.00 54.13 H new ATOM 0 HZ3 LYS A 31 -18.628 -7.945 -4.050 1.00 54.13 H new ATOM 441 N LEU A 32 -16.606 -4.844 -7.833 1.00 12.11 N ATOM 442 CA LEU A 32 -16.025 -5.913 -8.622 1.00 40.14 C ATOM 443 C LEU A 32 -14.558 -5.648 -8.856 1.00 54.02 C ATOM 444 O LEU A 32 -13.733 -6.583 -8.832 1.00 2.11 O ATOM 445 CB LEU A 32 -16.773 -6.092 -9.950 1.00 64.21 C ATOM 446 CG LEU A 32 -18.270 -6.419 -9.840 1.00 71.25 C ATOM 447 CD1 LEU A 32 -18.895 -6.530 -11.222 1.00 4.33 C ATOM 448 CD2 LEU A 32 -18.493 -7.707 -9.049 1.00 63.04 C ATOM 0 H LEU A 32 -17.154 -4.175 -8.373 1.00 12.11 H new ATOM 0 HA LEU A 32 -16.123 -6.845 -8.065 1.00 40.14 H new ATOM 0 HB2 LEU A 32 -16.663 -5.177 -10.533 1.00 64.21 H new ATOM 0 HB3 LEU A 32 -16.288 -6.889 -10.513 1.00 64.21 H new ATOM 0 HG LEU A 32 -18.754 -5.603 -9.303 1.00 71.25 H new ATOM 0 HD11 LEU A 32 -19.956 -6.762 -11.124 1.00 4.33 H new ATOM 0 HD12 LEU A 32 -18.778 -5.584 -11.751 1.00 4.33 H new ATOM 0 HD13 LEU A 32 -18.400 -7.323 -11.782 1.00 4.33 H new ATOM 0 HD21 LEU A 32 -19.561 -7.915 -8.986 1.00 63.04 H new ATOM 0 HD22 LEU A 32 -17.991 -8.534 -9.551 1.00 63.04 H new ATOM 0 HD23 LEU A 32 -18.086 -7.592 -8.044 1.00 63.04 H new ATOM 460 N GLU A 33 -14.216 -4.392 -9.065 1.00 30.14 N ATOM 461 CA GLU A 33 -12.822 -4.014 -9.178 1.00 24.13 C ATOM 462 C GLU A 33 -12.132 -4.265 -7.830 1.00 23.44 C ATOM 463 O GLU A 33 -11.043 -4.843 -7.770 1.00 42.34 O ATOM 464 CB GLU A 33 -12.661 -2.548 -9.533 1.00 33.53 C ATOM 465 CG GLU A 33 -13.295 -2.079 -10.818 1.00 43.41 C ATOM 466 CD GLU A 33 -13.080 -0.587 -10.992 1.00 50.51 C ATOM 467 OE1 GLU A 33 -13.617 0.183 -10.162 1.00 55.13 O ATOM 468 OE2 GLU A 33 -12.366 -0.180 -11.949 1.00 2.33 O ATOM 0 H GLU A 33 -14.878 -3.622 -9.159 1.00 30.14 H new ATOM 0 HA GLU A 33 -12.374 -4.611 -9.973 1.00 24.13 H new ATOM 0 HB2 GLU A 33 -13.073 -1.955 -8.716 1.00 33.53 H new ATOM 0 HB3 GLU A 33 -11.595 -2.327 -9.581 1.00 33.53 H new ATOM 0 HG2 GLU A 33 -12.864 -2.617 -11.662 1.00 43.41 H new ATOM 0 HG3 GLU A 33 -14.362 -2.302 -10.809 1.00 43.41 H new ATOM 475 N PHE A 34 -12.811 -3.886 -6.739 1.00 1.41 N ATOM 476 CA PHE A 34 -12.273 -4.026 -5.383 1.00 31.52 C ATOM 477 C PHE A 34 -12.043 -5.496 -5.033 1.00 62.13 C ATOM 478 O PHE A 34 -11.155 -5.814 -4.240 1.00 73.51 O ATOM 479 CB PHE A 34 -13.178 -3.326 -4.351 1.00 11.01 C ATOM 480 CG PHE A 34 -12.554 -3.076 -3.000 1.00 14.52 C ATOM 481 CD1 PHE A 34 -11.270 -2.572 -2.910 1.00 15.23 C ATOM 482 CD2 PHE A 34 -13.262 -3.300 -1.831 1.00 64.15 C ATOM 483 CE1 PHE A 34 -10.691 -2.292 -1.704 1.00 45.33 C ATOM 484 CE2 PHE A 34 -12.694 -3.017 -0.601 1.00 0.50 C ATOM 485 CZ PHE A 34 -11.406 -2.507 -0.536 1.00 72.55 C ATOM 0 H PHE A 34 -13.744 -3.476 -6.773 1.00 1.41 H new ATOM 0 HA PHE A 34 -11.303 -3.529 -5.351 1.00 31.52 H new ATOM 0 HB2 PHE A 34 -13.499 -2.370 -4.765 1.00 11.01 H new ATOM 0 HB3 PHE A 34 -14.074 -3.930 -4.211 1.00 11.01 H new ATOM 0 HD1 PHE A 34 -10.710 -2.395 -3.816 1.00 15.23 H new ATOM 0 HD2 PHE A 34 -14.265 -3.698 -1.880 1.00 64.15 H new ATOM 0 HE1 PHE A 34 -9.683 -1.906 -1.661 1.00 45.33 H new ATOM 0 HE2 PHE A 34 -13.253 -3.193 0.306 1.00 0.50 H new ATOM 0 HZ PHE A 34 -10.962 -2.278 0.421 1.00 72.55 H new ATOM 495 N ARG A 35 -12.836 -6.390 -5.636 1.00 2.13 N ATOM 496 CA ARG A 35 -12.594 -7.835 -5.504 1.00 31.41 C ATOM 497 C ARG A 35 -11.172 -8.141 -6.017 1.00 3.53 C ATOM 498 O ARG A 35 -10.411 -8.860 -5.377 1.00 55.12 O ATOM 499 CB ARG A 35 -13.651 -8.643 -6.325 1.00 15.11 C ATOM 500 CG ARG A 35 -13.739 -10.180 -6.050 1.00 50.23 C ATOM 501 CD ARG A 35 -12.519 -10.977 -6.486 1.00 11.24 C ATOM 502 NE ARG A 35 -12.276 -10.865 -7.929 1.00 61.04 N ATOM 503 CZ ARG A 35 -11.093 -11.053 -8.526 1.00 4.20 C ATOM 504 NH1 ARG A 35 -10.000 -11.308 -7.795 1.00 21.01 N ATOM 505 NH2 ARG A 35 -10.997 -10.956 -9.856 1.00 45.24 N ATOM 0 H ARG A 35 -13.641 -6.145 -6.213 1.00 2.13 H new ATOM 0 HA ARG A 35 -12.684 -8.130 -4.458 1.00 31.41 H new ATOM 0 HB2 ARG A 35 -14.632 -8.208 -6.135 1.00 15.11 H new ATOM 0 HB3 ARG A 35 -13.439 -8.500 -7.384 1.00 15.11 H new ATOM 0 HG2 ARG A 35 -13.895 -10.335 -4.982 1.00 50.23 H new ATOM 0 HG3 ARG A 35 -14.616 -10.577 -6.561 1.00 50.23 H new ATOM 0 HD2 ARG A 35 -11.642 -10.625 -5.942 1.00 11.24 H new ATOM 0 HD3 ARG A 35 -12.658 -12.025 -6.222 1.00 11.24 H new ATOM 0 HE ARG A 35 -13.070 -10.625 -8.523 1.00 61.04 H new ATOM 0 HH11 ARG A 35 -10.067 -11.360 -6.779 1.00 21.01 H new ATOM 0 HH12 ARG A 35 -9.101 -11.451 -8.255 1.00 21.01 H new ATOM 0 HH21 ARG A 35 -11.824 -10.739 -10.413 1.00 45.24 H new ATOM 0 HH22 ARG A 35 -10.097 -11.099 -10.314 1.00 45.24 H new ATOM 519 N SER A 36 -10.812 -7.535 -7.139 1.00 25.51 N ATOM 520 CA SER A 36 -9.526 -7.777 -7.758 1.00 53.40 C ATOM 521 C SER A 36 -8.426 -7.108 -6.934 1.00 51.44 C ATOM 522 O SER A 36 -7.323 -7.663 -6.768 1.00 40.22 O ATOM 523 CB SER A 36 -9.550 -7.248 -9.192 1.00 42.22 C ATOM 524 OG SER A 36 -10.678 -7.773 -9.891 1.00 15.35 O ATOM 0 H SER A 36 -11.400 -6.868 -7.639 1.00 25.51 H new ATOM 0 HA SER A 36 -9.319 -8.847 -7.790 1.00 53.40 H new ATOM 0 HB2 SER A 36 -9.592 -6.159 -9.185 1.00 42.22 H new ATOM 0 HB3 SER A 36 -8.631 -7.529 -9.707 1.00 42.22 H new ATOM 0 HG SER A 36 -10.685 -7.427 -10.808 1.00 15.35 H new ATOM 530 N CYS A 37 -8.762 -5.940 -6.396 1.00 3.15 N ATOM 531 CA CYS A 37 -7.886 -5.178 -5.533 1.00 35.21 C ATOM 532 C CYS A 37 -7.486 -6.011 -4.331 1.00 51.24 C ATOM 533 O CYS A 37 -6.309 -6.296 -4.132 1.00 14.01 O ATOM 534 CB CYS A 37 -8.591 -3.886 -5.080 1.00 23.13 C ATOM 535 SG CYS A 37 -7.632 -2.826 -3.968 1.00 72.22 S ATOM 0 H CYS A 37 -9.666 -5.495 -6.554 1.00 3.15 H new ATOM 0 HA CYS A 37 -6.985 -4.911 -6.086 1.00 35.21 H new ATOM 0 HB2 CYS A 37 -8.857 -3.308 -5.965 1.00 23.13 H new ATOM 0 HB3 CYS A 37 -9.523 -4.156 -4.583 1.00 23.13 H new ATOM 0 HG CYS A 37 -8.387 -2.433 -2.985 1.00 72.22 H new ATOM 541 N LEU A 38 -8.474 -6.479 -3.584 1.00 54.21 N ATOM 542 CA LEU A 38 -8.219 -7.236 -2.379 1.00 65.00 C ATOM 543 C LEU A 38 -7.536 -8.567 -2.650 1.00 2.43 C ATOM 544 O LEU A 38 -6.874 -9.113 -1.776 1.00 42.14 O ATOM 545 CB LEU A 38 -9.477 -7.381 -1.518 1.00 4.14 C ATOM 546 CG LEU A 38 -10.062 -6.063 -0.987 1.00 32.30 C ATOM 547 CD1 LEU A 38 -11.238 -6.315 -0.070 1.00 11.11 C ATOM 548 CD2 LEU A 38 -9.003 -5.245 -0.268 1.00 70.25 C ATOM 0 H LEU A 38 -9.462 -6.344 -3.797 1.00 54.21 H new ATOM 0 HA LEU A 38 -7.505 -6.655 -1.794 1.00 65.00 H new ATOM 0 HB2 LEU A 38 -10.242 -7.890 -2.104 1.00 4.14 H new ATOM 0 HB3 LEU A 38 -9.245 -8.025 -0.670 1.00 4.14 H new ATOM 0 HG LEU A 38 -10.414 -5.494 -1.847 1.00 32.30 H new ATOM 0 HD11 LEU A 38 -11.630 -5.363 0.289 1.00 11.11 H new ATOM 0 HD12 LEU A 38 -12.018 -6.846 -0.616 1.00 11.11 H new ATOM 0 HD13 LEU A 38 -10.915 -6.918 0.779 1.00 11.11 H new ATOM 0 HD21 LEU A 38 -9.445 -4.318 0.097 1.00 70.25 H new ATOM 0 HD22 LEU A 38 -8.611 -5.816 0.574 1.00 70.25 H new ATOM 0 HD23 LEU A 38 -8.192 -5.013 -0.958 1.00 70.25 H new ATOM 560 N SER A 39 -7.682 -9.089 -3.839 1.00 74.01 N ATOM 561 CA SER A 39 -6.970 -10.281 -4.191 1.00 22.53 C ATOM 562 C SER A 39 -5.479 -9.999 -4.374 1.00 22.04 C ATOM 563 O SER A 39 -4.650 -10.478 -3.607 1.00 23.12 O ATOM 564 CB SER A 39 -7.562 -10.938 -5.437 1.00 61.23 C ATOM 565 OG SER A 39 -8.889 -11.393 -5.203 1.00 34.24 O ATOM 0 H SER A 39 -8.282 -8.710 -4.571 1.00 74.01 H new ATOM 0 HA SER A 39 -7.079 -10.984 -3.365 1.00 22.53 H new ATOM 0 HB2 SER A 39 -7.560 -10.225 -6.262 1.00 61.23 H new ATOM 0 HB3 SER A 39 -6.936 -11.777 -5.740 1.00 61.23 H new ATOM 0 HG SER A 39 -9.492 -10.623 -5.138 1.00 34.24 H new ATOM 571 N SER A 40 -5.159 -9.130 -5.306 1.00 13.41 N ATOM 572 CA SER A 40 -3.783 -8.898 -5.671 1.00 63.15 C ATOM 573 C SER A 40 -3.035 -8.018 -4.650 1.00 21.54 C ATOM 574 O SER A 40 -1.817 -7.882 -4.727 1.00 52.11 O ATOM 575 CB SER A 40 -3.716 -8.314 -7.087 1.00 11.25 C ATOM 576 OG SER A 40 -2.384 -8.156 -7.535 1.00 42.51 O ATOM 0 H SER A 40 -5.836 -8.572 -5.825 1.00 13.41 H new ATOM 0 HA SER A 40 -3.267 -9.858 -5.661 1.00 63.15 H new ATOM 0 HB2 SER A 40 -4.254 -8.967 -7.774 1.00 11.25 H new ATOM 0 HB3 SER A 40 -4.221 -7.348 -7.105 1.00 11.25 H new ATOM 0 HG SER A 40 -1.786 -8.082 -6.762 1.00 42.51 H new ATOM 582 N MET A 41 -3.754 -7.422 -3.711 1.00 73.22 N ATOM 583 CA MET A 41 -3.110 -6.614 -2.681 1.00 20.34 C ATOM 584 C MET A 41 -2.791 -7.478 -1.438 1.00 42.14 C ATOM 585 O MET A 41 -2.230 -7.001 -0.461 1.00 31.13 O ATOM 586 CB MET A 41 -3.963 -5.367 -2.342 1.00 34.21 C ATOM 587 CG MET A 41 -3.286 -4.343 -1.427 1.00 33.02 C ATOM 588 SD MET A 41 -4.224 -2.798 -1.268 1.00 64.12 S ATOM 589 CE MET A 41 -5.779 -3.384 -0.614 1.00 34.54 C ATOM 0 H MET A 41 -4.770 -7.479 -3.639 1.00 73.22 H new ATOM 0 HA MET A 41 -2.159 -6.243 -3.064 1.00 20.34 H new ATOM 0 HB2 MET A 41 -4.240 -4.872 -3.273 1.00 34.21 H new ATOM 0 HB3 MET A 41 -4.888 -5.697 -1.869 1.00 34.21 H new ATOM 0 HG2 MET A 41 -3.151 -4.782 -0.438 1.00 33.02 H new ATOM 0 HG3 MET A 41 -2.292 -4.119 -1.815 1.00 33.02 H new ATOM 0 HE1 MET A 41 -6.285 -2.570 -0.094 1.00 34.54 H new ATOM 0 HE2 MET A 41 -6.407 -3.739 -1.431 1.00 34.54 H new ATOM 0 HE3 MET A 41 -5.596 -4.201 0.083 1.00 34.54 H new ATOM 599 N GLY A 42 -3.151 -8.757 -1.501 1.00 35.24 N ATOM 600 CA GLY A 42 -2.778 -9.682 -0.439 1.00 51.34 C ATOM 601 C GLY A 42 -3.813 -9.853 0.656 1.00 23.55 C ATOM 602 O GLY A 42 -3.462 -9.985 1.821 1.00 31.24 O ATOM 0 H GLY A 42 -3.691 -9.170 -2.262 1.00 35.24 H new ATOM 0 HA2 GLY A 42 -2.575 -10.657 -0.882 1.00 51.34 H new ATOM 0 HA3 GLY A 42 -1.848 -9.337 0.012 1.00 51.34 H new ATOM 606 N LEU A 43 -5.076 -9.844 0.301 1.00 73.23 N ATOM 607 CA LEU A 43 -6.130 -10.091 1.280 1.00 41.13 C ATOM 608 C LEU A 43 -6.809 -11.400 0.989 1.00 64.52 C ATOM 609 O LEU A 43 -6.671 -12.374 1.719 1.00 62.43 O ATOM 610 CB LEU A 43 -7.200 -8.971 1.304 1.00 52.31 C ATOM 611 CG LEU A 43 -6.858 -7.638 2.009 1.00 1.45 C ATOM 612 CD1 LEU A 43 -6.445 -7.860 3.458 1.00 53.55 C ATOM 613 CD2 LEU A 43 -5.799 -6.843 1.251 1.00 23.34 C ATOM 0 H LEU A 43 -5.406 -9.671 -0.648 1.00 73.23 H new ATOM 0 HA LEU A 43 -5.646 -10.116 2.257 1.00 41.13 H new ATOM 0 HB2 LEU A 43 -7.463 -8.742 0.271 1.00 52.31 H new ATOM 0 HB3 LEU A 43 -8.094 -9.377 1.778 1.00 52.31 H new ATOM 0 HG LEU A 43 -7.770 -7.041 2.011 1.00 1.45 H new ATOM 0 HD11 LEU A 43 -6.212 -6.901 3.921 1.00 53.55 H new ATOM 0 HD12 LEU A 43 -7.262 -8.336 4.000 1.00 53.55 H new ATOM 0 HD13 LEU A 43 -5.565 -8.502 3.491 1.00 53.55 H new ATOM 0 HD21 LEU A 43 -5.591 -5.915 1.783 1.00 23.34 H new ATOM 0 HD22 LEU A 43 -4.885 -7.432 1.178 1.00 23.34 H new ATOM 0 HD23 LEU A 43 -6.164 -6.613 0.250 1.00 23.34 H new ATOM 625 N ILE A 44 -7.532 -11.419 -0.087 1.00 44.12 N ATOM 626 CA ILE A 44 -8.290 -12.566 -0.465 1.00 32.53 C ATOM 627 C ILE A 44 -7.634 -13.234 -1.688 1.00 21.03 C ATOM 628 O ILE A 44 -7.669 -12.711 -2.795 1.00 13.34 O ATOM 629 CB ILE A 44 -9.777 -12.140 -0.750 1.00 45.41 C ATOM 630 CG1 ILE A 44 -9.851 -11.096 -1.901 1.00 44.33 C ATOM 631 CG2 ILE A 44 -10.434 -11.605 0.528 1.00 23.05 C ATOM 632 CD1 ILE A 44 -11.210 -10.516 -2.186 1.00 50.12 C ATOM 0 H ILE A 44 -7.612 -10.632 -0.731 1.00 44.12 H new ATOM 0 HA ILE A 44 -8.304 -13.297 0.344 1.00 32.53 H new ATOM 0 HB ILE A 44 -10.330 -13.022 -1.074 1.00 45.41 H new ATOM 0 HG12 ILE A 44 -9.172 -10.277 -1.665 1.00 44.33 H new ATOM 0 HG13 ILE A 44 -9.480 -11.564 -2.813 1.00 44.33 H new ATOM 0 HG21 ILE A 44 -11.463 -11.314 0.314 1.00 23.05 H new ATOM 0 HG22 ILE A 44 -10.428 -12.382 1.293 1.00 23.05 H new ATOM 0 HG23 ILE A 44 -9.879 -10.738 0.887 1.00 23.05 H new ATOM 0 HD11 ILE A 44 -11.136 -9.802 -3.006 1.00 50.12 H new ATOM 0 HD12 ILE A 44 -11.897 -11.316 -2.462 1.00 50.12 H new ATOM 0 HD13 ILE A 44 -11.583 -10.009 -1.296 1.00 50.12 H new ATOM 644 N ASP A 45 -7.035 -14.369 -1.498 1.00 51.42 N ATOM 645 CA ASP A 45 -6.332 -14.995 -2.606 1.00 72.14 C ATOM 646 C ASP A 45 -7.091 -16.205 -3.122 1.00 31.22 C ATOM 647 O ASP A 45 -7.885 -16.805 -2.398 1.00 30.25 O ATOM 648 CB ASP A 45 -4.877 -15.332 -2.240 1.00 30.23 C ATOM 649 CG ASP A 45 -4.086 -15.834 -3.435 1.00 72.21 C ATOM 650 OD1 ASP A 45 -4.379 -15.383 -4.575 1.00 41.44 O ATOM 651 OD2 ASP A 45 -3.234 -16.697 -3.257 1.00 40.40 O ATOM 0 H ASP A 45 -7.010 -14.880 -0.616 1.00 51.42 H new ATOM 0 HA ASP A 45 -6.286 -14.273 -3.421 1.00 72.14 H new ATOM 0 HB2 ASP A 45 -4.392 -14.445 -1.832 1.00 30.23 H new ATOM 0 HB3 ASP A 45 -4.867 -16.089 -1.456 1.00 30.23 H new ATOM 656 N ILE A 46 -6.800 -16.596 -4.339 1.00 41.23 N ATOM 657 CA ILE A 46 -7.524 -17.639 -5.063 1.00 12.42 C ATOM 658 C ILE A 46 -7.056 -19.050 -4.631 1.00 70.21 C ATOM 659 O ILE A 46 -7.237 -20.047 -5.343 1.00 11.24 O ATOM 660 CB ILE A 46 -7.356 -17.407 -6.592 1.00 45.32 C ATOM 661 CG1 ILE A 46 -8.347 -18.252 -7.426 1.00 40.41 C ATOM 662 CG2 ILE A 46 -5.900 -17.630 -7.036 1.00 21.25 C ATOM 663 CD1 ILE A 46 -8.281 -18.002 -8.921 1.00 40.24 C ATOM 0 H ILE A 46 -6.033 -16.193 -4.877 1.00 41.23 H new ATOM 0 HA ILE A 46 -8.585 -17.582 -4.819 1.00 12.42 H new ATOM 0 HB ILE A 46 -7.602 -16.363 -6.785 1.00 45.32 H new ATOM 0 HG12 ILE A 46 -8.153 -19.308 -7.238 1.00 40.41 H new ATOM 0 HG13 ILE A 46 -9.360 -18.048 -7.080 1.00 40.41 H new ATOM 0 HG21 ILE A 46 -5.817 -17.460 -8.109 1.00 21.25 H new ATOM 0 HG22 ILE A 46 -5.248 -16.935 -6.507 1.00 21.25 H new ATOM 0 HG23 ILE A 46 -5.602 -18.653 -6.807 1.00 21.25 H new ATOM 0 HD11 ILE A 46 -9.009 -18.636 -9.428 1.00 40.24 H new ATOM 0 HD12 ILE A 46 -8.506 -16.955 -9.125 1.00 40.24 H new ATOM 0 HD13 ILE A 46 -7.280 -18.235 -9.285 1.00 40.24 H new ATOM 675 N ASP A 47 -6.511 -19.097 -3.440 1.00 23.24 N ATOM 676 CA ASP A 47 -6.066 -20.350 -2.788 1.00 73.23 C ATOM 677 C ASP A 47 -7.271 -21.261 -2.667 1.00 35.10 C ATOM 678 O ASP A 47 -7.297 -22.393 -3.174 1.00 4.54 O ATOM 679 CB ASP A 47 -5.481 -20.048 -1.397 1.00 11.33 C ATOM 680 CG ASP A 47 -5.134 -21.300 -0.598 1.00 54.01 C ATOM 681 OD1 ASP A 47 -4.060 -21.887 -0.834 1.00 32.44 O ATOM 682 OD2 ASP A 47 -5.929 -21.672 0.295 1.00 55.51 O ATOM 0 H ASP A 47 -6.353 -18.266 -2.871 1.00 23.24 H new ATOM 0 HA ASP A 47 -5.287 -20.830 -3.380 1.00 73.23 H new ATOM 0 HB2 ASP A 47 -4.584 -19.440 -1.513 1.00 11.33 H new ATOM 0 HB3 ASP A 47 -6.198 -19.453 -0.831 1.00 11.33 H new ATOM 687 N PHE A 48 -8.300 -20.727 -2.057 1.00 34.23 N ATOM 688 CA PHE A 48 -9.560 -21.391 -2.013 1.00 4.44 C ATOM 689 C PHE A 48 -10.332 -20.950 -3.240 1.00 4.43 C ATOM 690 O PHE A 48 -10.848 -19.822 -3.306 1.00 51.14 O ATOM 691 CB PHE A 48 -10.330 -21.052 -0.733 1.00 51.53 C ATOM 692 CG PHE A 48 -9.633 -21.462 0.535 1.00 24.52 C ATOM 693 CD1 PHE A 48 -9.619 -22.790 0.934 1.00 30.23 C ATOM 694 CD2 PHE A 48 -8.991 -20.523 1.327 1.00 10.34 C ATOM 695 CE1 PHE A 48 -8.980 -23.173 2.098 1.00 53.42 C ATOM 696 CE2 PHE A 48 -8.350 -20.900 2.492 1.00 10.34 C ATOM 697 CZ PHE A 48 -8.344 -22.227 2.877 1.00 14.34 C ATOM 0 H PHE A 48 -8.279 -19.824 -1.582 1.00 34.23 H new ATOM 0 HA PHE A 48 -9.419 -22.472 -2.007 1.00 4.44 H new ATOM 0 HB2 PHE A 48 -10.509 -19.977 -0.704 1.00 51.53 H new ATOM 0 HB3 PHE A 48 -11.306 -21.537 -0.771 1.00 51.53 H new ATOM 0 HD1 PHE A 48 -10.114 -23.534 0.328 1.00 30.23 H new ATOM 0 HD2 PHE A 48 -8.992 -19.485 1.030 1.00 10.34 H new ATOM 0 HE1 PHE A 48 -8.978 -24.211 2.398 1.00 53.42 H new ATOM 0 HE2 PHE A 48 -7.854 -20.158 3.101 1.00 10.34 H new ATOM 0 HZ PHE A 48 -7.842 -22.524 3.786 1.00 14.34 H new ATOM 707 N THR A 49 -10.319 -21.782 -4.237 1.00 21.13 N ATOM 708 CA THR A 49 -10.964 -21.476 -5.467 1.00 34.20 C ATOM 709 C THR A 49 -12.373 -22.065 -5.521 1.00 4.14 C ATOM 710 O THR A 49 -12.575 -23.250 -5.821 1.00 35.03 O ATOM 711 CB THR A 49 -10.089 -21.894 -6.705 1.00 4.15 C ATOM 712 OG1 THR A 49 -10.816 -21.743 -7.932 1.00 33.32 O ATOM 713 CG2 THR A 49 -9.556 -23.326 -6.582 1.00 72.52 C ATOM 0 H THR A 49 -9.859 -22.692 -4.215 1.00 21.13 H new ATOM 0 HA THR A 49 -11.074 -20.393 -5.520 1.00 34.20 H new ATOM 0 HB THR A 49 -9.232 -21.220 -6.719 1.00 4.15 H new ATOM 0 HG1 THR A 49 -10.247 -22.009 -8.684 1.00 33.32 H new ATOM 0 HG21 THR A 49 -8.958 -23.568 -7.460 1.00 72.52 H new ATOM 0 HG22 THR A 49 -8.938 -23.409 -5.688 1.00 72.52 H new ATOM 0 HG23 THR A 49 -10.393 -24.021 -6.510 1.00 72.52 H new ATOM 721 N GLY A 50 -13.322 -21.225 -5.242 1.00 71.53 N ATOM 722 CA GLY A 50 -14.696 -21.601 -5.251 1.00 42.31 C ATOM 723 C GLY A 50 -15.549 -20.383 -5.090 1.00 2.31 C ATOM 724 O GLY A 50 -15.506 -19.491 -5.926 1.00 14.53 O ATOM 0 H GLY A 50 -13.159 -20.248 -4.999 1.00 71.53 H new ATOM 0 HA2 GLY A 50 -14.939 -22.107 -6.185 1.00 42.31 H new ATOM 0 HA3 GLY A 50 -14.896 -22.307 -4.445 1.00 42.31 H new ATOM 728 N GLY A 51 -16.292 -20.331 -4.019 1.00 64.15 N ATOM 729 CA GLY A 51 -17.132 -19.187 -3.731 1.00 50.11 C ATOM 730 C GLY A 51 -16.605 -18.455 -2.525 1.00 73.50 C ATOM 731 O GLY A 51 -17.280 -17.611 -1.931 1.00 45.22 O ATOM 0 H GLY A 51 -16.337 -21.073 -3.321 1.00 64.15 H new ATOM 0 HA2 GLY A 51 -17.157 -18.518 -4.591 1.00 50.11 H new ATOM 0 HA3 GLY A 51 -18.156 -19.513 -3.550 1.00 50.11 H new ATOM 735 N GLU A 52 -15.391 -18.794 -2.162 1.00 42.34 N ATOM 736 CA GLU A 52 -14.757 -18.310 -0.959 1.00 5.12 C ATOM 737 C GLU A 52 -14.266 -16.863 -1.081 1.00 63.14 C ATOM 738 O GLU A 52 -13.763 -16.284 -0.114 1.00 72.22 O ATOM 739 CB GLU A 52 -13.608 -19.241 -0.510 1.00 54.12 C ATOM 740 CG GLU A 52 -14.013 -20.704 -0.209 1.00 42.21 C ATOM 741 CD GLU A 52 -14.357 -21.515 -1.453 1.00 30.52 C ATOM 742 OE1 GLU A 52 -13.434 -21.974 -2.126 1.00 74.32 O ATOM 743 OE2 GLU A 52 -15.559 -21.656 -1.780 1.00 45.45 O ATOM 0 H GLU A 52 -14.804 -19.427 -2.706 1.00 42.34 H new ATOM 0 HA GLU A 52 -15.529 -18.318 -0.190 1.00 5.12 H new ATOM 0 HB2 GLU A 52 -12.844 -19.247 -1.287 1.00 54.12 H new ATOM 0 HB3 GLU A 52 -13.150 -18.818 0.384 1.00 54.12 H new ATOM 0 HG2 GLU A 52 -13.197 -21.196 0.320 1.00 42.21 H new ATOM 0 HG3 GLU A 52 -14.872 -20.703 0.462 1.00 42.21 H new ATOM 750 N ASP A 53 -14.442 -16.259 -2.240 1.00 40.03 N ATOM 751 CA ASP A 53 -14.047 -14.869 -2.433 1.00 20.15 C ATOM 752 C ASP A 53 -15.109 -13.969 -1.811 1.00 52.23 C ATOM 753 O ASP A 53 -14.839 -12.815 -1.449 1.00 71.05 O ATOM 754 CB ASP A 53 -13.831 -14.531 -3.918 1.00 21.35 C ATOM 755 CG ASP A 53 -15.102 -14.560 -4.729 1.00 71.43 C ATOM 756 OD1 ASP A 53 -15.787 -15.608 -4.712 1.00 34.32 O ATOM 757 OD2 ASP A 53 -15.421 -13.534 -5.363 1.00 75.45 O ATOM 0 H ASP A 53 -14.853 -16.702 -3.061 1.00 40.03 H new ATOM 0 HA ASP A 53 -13.089 -14.703 -1.941 1.00 20.15 H new ATOM 0 HB2 ASP A 53 -13.381 -13.541 -3.996 1.00 21.35 H new ATOM 0 HB3 ASP A 53 -13.120 -15.239 -4.345 1.00 21.35 H new ATOM 762 N ALA A 54 -16.300 -14.557 -1.580 1.00 74.45 N ATOM 763 CA ALA A 54 -17.436 -13.890 -0.914 1.00 25.01 C ATOM 764 C ALA A 54 -17.087 -13.517 0.540 1.00 65.50 C ATOM 765 O ALA A 54 -17.836 -12.784 1.238 1.00 21.31 O ATOM 766 CB ALA A 54 -18.675 -14.769 -0.957 1.00 71.51 C ATOM 0 H ALA A 54 -16.502 -15.519 -1.854 1.00 74.45 H new ATOM 0 HA ALA A 54 -17.647 -12.968 -1.456 1.00 25.01 H new ATOM 0 HB1 ALA A 54 -19.501 -14.259 -0.461 1.00 71.51 H new ATOM 0 HB2 ALA A 54 -18.943 -14.969 -1.994 1.00 71.51 H new ATOM 0 HB3 ALA A 54 -18.471 -15.710 -0.447 1.00 71.51 H new ATOM 772 N GLN A 55 -15.947 -14.016 1.007 1.00 4.25 N ATOM 773 CA GLN A 55 -15.429 -13.630 2.294 1.00 75.52 C ATOM 774 C GLN A 55 -15.139 -12.139 2.307 1.00 12.53 C ATOM 775 O GLN A 55 -15.162 -11.515 3.363 1.00 12.24 O ATOM 776 CB GLN A 55 -14.182 -14.431 2.681 1.00 42.12 C ATOM 777 CG GLN A 55 -14.454 -15.905 2.972 1.00 42.44 C ATOM 778 CD GLN A 55 -15.400 -16.126 4.152 1.00 24.13 C ATOM 779 OE1 GLN A 55 -16.138 -17.089 4.185 1.00 21.13 O ATOM 780 NE2 GLN A 55 -15.361 -15.250 5.136 1.00 20.12 N ATOM 0 H GLN A 55 -15.370 -14.690 0.504 1.00 4.25 H new ATOM 0 HA GLN A 55 -16.191 -13.855 3.041 1.00 75.52 H new ATOM 0 HB2 GLN A 55 -13.452 -14.359 1.874 1.00 42.12 H new ATOM 0 HB3 GLN A 55 -13.729 -13.975 3.562 1.00 42.12 H new ATOM 0 HG2 GLN A 55 -14.879 -16.371 2.083 1.00 42.44 H new ATOM 0 HG3 GLN A 55 -13.509 -16.408 3.175 1.00 42.44 H new ATOM 0 HE21 GLN A 55 -14.731 -14.450 5.082 1.00 20.12 H new ATOM 0 HE22 GLN A 55 -15.961 -15.372 5.952 1.00 20.12 H new ATOM 789 N TYR A 56 -14.893 -11.546 1.122 1.00 71.03 N ATOM 790 CA TYR A 56 -14.717 -10.121 1.077 1.00 44.32 C ATOM 791 C TYR A 56 -16.043 -9.480 1.159 1.00 74.34 C ATOM 792 O TYR A 56 -16.144 -8.422 1.681 1.00 62.44 O ATOM 793 CB TYR A 56 -13.969 -9.595 -0.162 1.00 2.43 C ATOM 794 CG TYR A 56 -14.834 -9.079 -1.328 1.00 63.14 C ATOM 795 CD1 TYR A 56 -15.497 -7.817 -1.277 1.00 25.30 C ATOM 796 CD2 TYR A 56 -14.931 -9.802 -2.488 1.00 44.25 C ATOM 797 CE1 TYR A 56 -16.198 -7.354 -2.355 1.00 74.43 C ATOM 798 CE2 TYR A 56 -15.653 -9.337 -3.554 1.00 33.02 C ATOM 799 CZ TYR A 56 -16.275 -8.121 -3.492 1.00 62.12 C ATOM 800 OH TYR A 56 -16.966 -7.656 -4.593 1.00 54.03 O ATOM 0 H TYR A 56 -14.818 -12.028 0.226 1.00 71.03 H new ATOM 0 HA TYR A 56 -14.083 -9.866 1.926 1.00 44.32 H new ATOM 0 HB2 TYR A 56 -13.311 -8.787 0.156 1.00 2.43 H new ATOM 0 HB3 TYR A 56 -13.332 -10.395 -0.539 1.00 2.43 H new ATOM 0 HD1 TYR A 56 -15.444 -7.221 -0.378 1.00 25.30 H new ATOM 0 HD2 TYR A 56 -14.429 -10.755 -2.563 1.00 44.25 H new ATOM 0 HE1 TYR A 56 -16.688 -6.392 -2.313 1.00 74.43 H new ATOM 0 HE2 TYR A 56 -15.732 -9.935 -4.450 1.00 33.02 H new ATOM 0 HH TYR A 56 -16.451 -6.943 -5.025 1.00 54.03 H new ATOM 810 N ASP A 57 -17.067 -10.118 0.595 1.00 44.31 N ATOM 811 CA ASP A 57 -18.415 -9.573 0.634 1.00 41.05 C ATOM 812 C ASP A 57 -18.842 -9.375 2.025 1.00 21.22 C ATOM 813 O ASP A 57 -19.431 -8.380 2.335 1.00 2.40 O ATOM 814 CB ASP A 57 -19.431 -10.395 -0.157 1.00 32.40 C ATOM 815 CG ASP A 57 -19.586 -9.886 -1.564 1.00 61.22 C ATOM 816 OD1 ASP A 57 -18.633 -9.933 -2.339 1.00 30.41 O ATOM 817 OD2 ASP A 57 -20.663 -9.388 -1.920 1.00 3.35 O ATOM 0 H ASP A 57 -16.985 -11.010 0.108 1.00 44.31 H new ATOM 0 HA ASP A 57 -18.379 -8.605 0.133 1.00 41.05 H new ATOM 0 HB2 ASP A 57 -19.116 -11.438 -0.180 1.00 32.40 H new ATOM 0 HB3 ASP A 57 -20.396 -10.365 0.349 1.00 32.40 H new ATOM 822 N ALA A 58 -18.472 -10.308 2.887 1.00 3.31 N ATOM 823 CA ALA A 58 -18.716 -10.145 4.323 1.00 70.14 C ATOM 824 C ALA A 58 -18.001 -8.874 4.882 1.00 72.11 C ATOM 825 O ALA A 58 -18.554 -8.151 5.711 1.00 3.51 O ATOM 826 CB ALA A 58 -18.271 -11.384 5.076 1.00 31.03 C ATOM 0 H ALA A 58 -18.007 -11.178 2.629 1.00 3.31 H new ATOM 0 HA ALA A 58 -19.788 -10.011 4.469 1.00 70.14 H new ATOM 0 HB1 ALA A 58 -18.458 -11.249 6.141 1.00 31.03 H new ATOM 0 HB2 ALA A 58 -18.829 -12.248 4.716 1.00 31.03 H new ATOM 0 HB3 ALA A 58 -17.206 -11.546 4.912 1.00 31.03 H new ATOM 832 N ILE A 59 -16.791 -8.610 4.386 1.00 4.04 N ATOM 833 CA ILE A 59 -15.982 -7.440 4.794 1.00 34.51 C ATOM 834 C ILE A 59 -16.596 -6.148 4.209 1.00 44.44 C ATOM 835 O ILE A 59 -16.946 -5.216 4.938 1.00 5.31 O ATOM 836 CB ILE A 59 -14.511 -7.571 4.277 1.00 33.24 C ATOM 837 CG1 ILE A 59 -13.846 -8.859 4.803 1.00 40.33 C ATOM 838 CG2 ILE A 59 -13.691 -6.347 4.669 1.00 11.11 C ATOM 839 CD1 ILE A 59 -12.442 -9.108 4.253 1.00 64.24 C ATOM 0 H ILE A 59 -16.336 -9.198 3.688 1.00 4.04 H new ATOM 0 HA ILE A 59 -15.978 -7.398 5.883 1.00 34.51 H new ATOM 0 HB ILE A 59 -14.545 -7.631 3.189 1.00 33.24 H new ATOM 0 HG12 ILE A 59 -13.795 -8.810 5.891 1.00 40.33 H new ATOM 0 HG13 ILE A 59 -14.479 -9.710 4.552 1.00 40.33 H new ATOM 0 HG21 ILE A 59 -12.672 -6.459 4.300 1.00 11.11 H new ATOM 0 HG22 ILE A 59 -14.139 -5.454 4.233 1.00 11.11 H new ATOM 0 HG23 ILE A 59 -13.675 -6.252 5.755 1.00 11.11 H new ATOM 0 HD11 ILE A 59 -12.046 -10.033 4.672 1.00 64.24 H new ATOM 0 HD12 ILE A 59 -12.486 -9.191 3.167 1.00 64.24 H new ATOM 0 HD13 ILE A 59 -11.791 -8.277 4.527 1.00 64.24 H new ATOM 851 N TYR A 60 -16.720 -6.129 2.882 1.00 72.31 N ATOM 852 CA TYR A 60 -17.313 -5.048 2.104 1.00 20.21 C ATOM 853 C TYR A 60 -18.659 -4.683 2.667 1.00 1.22 C ATOM 854 O TYR A 60 -18.972 -3.518 2.823 1.00 22.22 O ATOM 855 CB TYR A 60 -17.444 -5.489 0.628 1.00 74.30 C ATOM 856 CG TYR A 60 -18.417 -4.670 -0.189 1.00 64.25 C ATOM 857 CD1 TYR A 60 -18.048 -3.469 -0.776 1.00 44.04 C ATOM 858 CD2 TYR A 60 -19.729 -5.103 -0.342 1.00 33.01 C ATOM 859 CE1 TYR A 60 -18.966 -2.729 -1.495 1.00 31.53 C ATOM 860 CE2 TYR A 60 -20.642 -4.372 -1.040 1.00 20.13 C ATOM 861 CZ TYR A 60 -20.267 -3.194 -1.614 1.00 64.12 C ATOM 862 OH TYR A 60 -21.195 -2.467 -2.293 1.00 73.13 O ATOM 0 H TYR A 60 -16.396 -6.900 2.298 1.00 72.31 H new ATOM 0 HA TYR A 60 -16.671 -4.169 2.156 1.00 20.21 H new ATOM 0 HB2 TYR A 60 -16.462 -5.437 0.158 1.00 74.30 H new ATOM 0 HB3 TYR A 60 -17.756 -6.533 0.601 1.00 74.30 H new ATOM 0 HD1 TYR A 60 -17.035 -3.110 -0.670 1.00 44.04 H new ATOM 0 HD2 TYR A 60 -20.031 -6.040 0.102 1.00 33.01 H new ATOM 0 HE1 TYR A 60 -18.674 -1.799 -1.959 1.00 31.53 H new ATOM 0 HE2 TYR A 60 -21.658 -4.724 -1.138 1.00 20.13 H new ATOM 0 HH TYR A 60 -22.054 -2.939 -2.280 1.00 73.13 H new ATOM 872 N ASN A 61 -19.424 -5.702 2.961 1.00 50.34 N ATOM 873 CA ASN A 61 -20.769 -5.552 3.609 1.00 65.05 C ATOM 874 C ASN A 61 -20.688 -4.647 4.843 1.00 64.44 C ATOM 875 O ASN A 61 -21.533 -3.790 5.056 1.00 11.03 O ATOM 876 CB ASN A 61 -21.336 -6.926 4.036 1.00 4.33 C ATOM 877 CG ASN A 61 -22.710 -6.851 4.696 1.00 53.44 C ATOM 878 OD1 ASN A 61 -23.733 -6.895 4.033 1.00 25.51 O ATOM 879 ND2 ASN A 61 -22.739 -6.783 6.008 1.00 74.55 N ATOM 0 H ASN A 61 -19.164 -6.670 2.772 1.00 50.34 H new ATOM 0 HA ASN A 61 -21.431 -5.100 2.871 1.00 65.05 H new ATOM 0 HB2 ASN A 61 -21.400 -7.570 3.159 1.00 4.33 H new ATOM 0 HB3 ASN A 61 -20.637 -7.397 4.727 1.00 4.33 H new ATOM 0 HD21 ASN A 61 -23.633 -6.766 6.498 1.00 74.55 H new ATOM 0 HD22 ASN A 61 -21.867 -6.747 6.536 1.00 74.55 H new ATOM 886 N ASN A 62 -19.643 -4.833 5.625 1.00 15.32 N ATOM 887 CA ASN A 62 -19.433 -4.063 6.845 1.00 1.22 C ATOM 888 C ASN A 62 -18.875 -2.670 6.523 1.00 53.30 C ATOM 889 O ASN A 62 -19.141 -1.710 7.239 1.00 31.34 O ATOM 890 CB ASN A 62 -18.495 -4.834 7.802 1.00 62.20 C ATOM 891 CG ASN A 62 -18.208 -4.138 9.145 1.00 43.21 C ATOM 892 OD1 ASN A 62 -17.144 -4.312 9.714 1.00 71.41 O ATOM 893 ND2 ASN A 62 -19.147 -3.379 9.666 1.00 14.31 N ATOM 0 H ASN A 62 -18.913 -5.521 5.437 1.00 15.32 H new ATOM 0 HA ASN A 62 -20.393 -3.924 7.342 1.00 1.22 H new ATOM 0 HB2 ASN A 62 -18.933 -5.811 8.005 1.00 62.20 H new ATOM 0 HB3 ASN A 62 -17.547 -5.009 7.293 1.00 62.20 H new ATOM 0 HD21 ASN A 62 -18.993 -2.921 10.564 1.00 14.31 H new ATOM 0 HD22 ASN A 62 -20.030 -3.248 9.172 1.00 14.31 H new ATOM 900 N VAL A 63 -18.120 -2.553 5.427 1.00 64.13 N ATOM 901 CA VAL A 63 -17.576 -1.236 5.038 1.00 50.43 C ATOM 902 C VAL A 63 -18.715 -0.321 4.535 1.00 53.31 C ATOM 903 O VAL A 63 -18.606 0.918 4.552 1.00 13.11 O ATOM 904 CB VAL A 63 -16.422 -1.302 3.949 1.00 33.41 C ATOM 905 CG1 VAL A 63 -15.595 -2.534 4.053 1.00 2.24 C ATOM 906 CG2 VAL A 63 -16.887 -1.127 2.535 1.00 13.33 C ATOM 0 H VAL A 63 -17.874 -3.324 4.806 1.00 64.13 H new ATOM 0 HA VAL A 63 -17.120 -0.825 5.939 1.00 50.43 H new ATOM 0 HB VAL A 63 -15.802 -0.439 4.191 1.00 33.41 H new ATOM 0 HG11 VAL A 63 -14.824 -2.521 3.283 1.00 2.24 H new ATOM 0 HG12 VAL A 63 -15.125 -2.575 5.036 1.00 2.24 H new ATOM 0 HG13 VAL A 63 -16.229 -3.410 3.917 1.00 2.24 H new ATOM 0 HG21 VAL A 63 -16.032 -1.186 1.861 1.00 13.33 H new ATOM 0 HG22 VAL A 63 -17.600 -1.913 2.287 1.00 13.33 H new ATOM 0 HG23 VAL A 63 -17.367 -0.154 2.428 1.00 13.33 H new ATOM 916 N THR A 64 -19.773 -0.934 4.053 1.00 45.32 N ATOM 917 CA THR A 64 -20.913 -0.220 3.578 1.00 55.13 C ATOM 918 C THR A 64 -21.940 0.009 4.684 1.00 20.34 C ATOM 919 O THR A 64 -22.158 -0.847 5.529 1.00 53.23 O ATOM 920 CB THR A 64 -21.541 -0.928 2.362 1.00 2.11 C ATOM 921 OG1 THR A 64 -21.757 -2.318 2.649 1.00 63.55 O ATOM 922 CG2 THR A 64 -20.634 -0.798 1.149 1.00 3.54 C ATOM 0 H THR A 64 -19.857 -1.948 3.984 1.00 45.32 H new ATOM 0 HA THR A 64 -20.572 0.763 3.252 1.00 55.13 H new ATOM 0 HB THR A 64 -22.499 -0.453 2.148 1.00 2.11 H new ATOM 0 HG1 THR A 64 -21.726 -2.461 3.618 1.00 63.55 H new ATOM 0 HG21 THR A 64 -21.090 -1.303 0.298 1.00 3.54 H new ATOM 0 HG22 THR A 64 -20.492 0.256 0.912 1.00 3.54 H new ATOM 0 HG23 THR A 64 -19.668 -1.254 1.366 1.00 3.54 H new ATOM 930 N LYS A 65 -22.543 1.174 4.678 1.00 41.45 N ATOM 931 CA LYS A 65 -23.568 1.538 5.643 1.00 21.15 C ATOM 932 C LYS A 65 -24.909 1.513 4.932 1.00 1.24 C ATOM 933 O LYS A 65 -25.939 1.864 5.497 1.00 2.34 O ATOM 934 CB LYS A 65 -23.338 2.966 6.220 1.00 35.41 C ATOM 935 CG LYS A 65 -22.144 3.187 7.194 1.00 3.52 C ATOM 936 CD LYS A 65 -20.748 2.945 6.586 1.00 31.43 C ATOM 937 CE LYS A 65 -20.547 3.681 5.264 1.00 34.40 C ATOM 938 NZ LYS A 65 -20.796 5.135 5.340 1.00 34.24 N ATOM 0 H LYS A 65 -22.338 1.907 3.999 1.00 41.45 H new ATOM 0 HA LYS A 65 -23.535 0.831 6.472 1.00 21.15 H new ATOM 0 HB2 LYS A 65 -23.211 3.648 5.379 1.00 35.41 H new ATOM 0 HB3 LYS A 65 -24.249 3.266 6.738 1.00 35.41 H new ATOM 0 HG2 LYS A 65 -22.187 4.209 7.570 1.00 3.52 H new ATOM 0 HG3 LYS A 65 -22.269 2.526 8.052 1.00 3.52 H new ATOM 0 HD2 LYS A 65 -19.986 3.267 7.296 1.00 31.43 H new ATOM 0 HD3 LYS A 65 -20.605 1.876 6.428 1.00 31.43 H new ATOM 0 HE2 LYS A 65 -19.526 3.515 4.920 1.00 34.40 H new ATOM 0 HE3 LYS A 65 -21.210 3.248 4.515 1.00 34.40 H new ATOM 0 HZ1 LYS A 65 -21.638 5.373 4.777 1.00 34.24 H new ATOM 0 HZ2 LYS A 65 -20.953 5.409 6.331 1.00 34.24 H new ATOM 0 HZ3 LYS A 65 -19.973 5.648 4.965 1.00 34.24 H new ATOM 952 N GLY A 66 -24.867 1.102 3.686 1.00 11.53 N ATOM 953 CA GLY A 66 -26.039 1.069 2.860 1.00 31.32 C ATOM 954 C GLY A 66 -25.705 1.457 1.441 1.00 1.14 C ATOM 955 O GLY A 66 -26.515 1.285 0.534 1.00 53.13 O ATOM 0 H GLY A 66 -24.017 0.782 3.222 1.00 11.53 H new ATOM 0 HA2 GLY A 66 -26.473 0.069 2.876 1.00 31.32 H new ATOM 0 HA3 GLY A 66 -26.791 1.749 3.260 1.00 31.32 H new ATOM 959 N GLU A 67 -24.505 1.991 1.252 1.00 52.31 N ATOM 960 CA GLU A 67 -24.048 2.394 -0.057 1.00 54.31 C ATOM 961 C GLU A 67 -23.582 1.164 -0.844 1.00 2.14 C ATOM 962 O GLU A 67 -23.567 0.038 -0.330 1.00 21.42 O ATOM 963 CB GLU A 67 -22.872 3.408 0.025 1.00 12.12 C ATOM 964 CG GLU A 67 -23.042 4.566 1.022 1.00 41.13 C ATOM 965 CD GLU A 67 -22.641 4.192 2.443 1.00 73.04 C ATOM 966 OE1 GLU A 67 -22.456 2.974 2.732 1.00 10.04 O ATOM 967 OE2 GLU A 67 -22.461 5.086 3.282 1.00 14.11 O ATOM 0 H GLU A 67 -23.831 2.153 2.000 1.00 52.31 H new ATOM 0 HA GLU A 67 -24.886 2.878 -0.559 1.00 54.31 H new ATOM 0 HB2 GLU A 67 -21.966 2.861 0.286 1.00 12.12 H new ATOM 0 HB3 GLU A 67 -22.714 3.831 -0.967 1.00 12.12 H new ATOM 0 HG2 GLU A 67 -22.441 5.413 0.692 1.00 41.13 H new ATOM 0 HG3 GLU A 67 -24.082 4.892 1.018 1.00 41.13 H new ATOM 974 N ASN A 68 -23.192 1.382 -2.064 1.00 73.24 N ATOM 975 CA ASN A 68 -22.686 0.330 -2.909 1.00 14.43 C ATOM 976 C ASN A 68 -21.349 0.768 -3.434 1.00 73.35 C ATOM 977 O ASN A 68 -21.251 1.814 -4.079 1.00 73.41 O ATOM 978 CB ASN A 68 -23.657 0.041 -4.069 1.00 42.35 C ATOM 979 CG ASN A 68 -23.173 -1.072 -4.998 1.00 3.23 C ATOM 980 OD1 ASN A 68 -22.485 -0.831 -5.965 1.00 10.24 O ATOM 981 ND2 ASN A 68 -23.552 -2.296 -4.714 1.00 73.14 N ATOM 0 H ASN A 68 -23.214 2.300 -2.509 1.00 73.24 H new ATOM 0 HA ASN A 68 -22.585 -0.593 -2.338 1.00 14.43 H new ATOM 0 HB2 ASN A 68 -24.629 -0.233 -3.660 1.00 42.35 H new ATOM 0 HB3 ASN A 68 -23.801 0.952 -4.649 1.00 42.35 H new ATOM 0 HD21 ASN A 68 -23.267 -3.070 -5.314 1.00 73.14 H new ATOM 0 HD22 ASN A 68 -24.132 -2.473 -3.894 1.00 73.14 H new ATOM 988 N GLY A 69 -20.319 0.038 -3.091 1.00 53.52 N ATOM 989 CA GLY A 69 -19.026 0.379 -3.546 1.00 73.31 C ATOM 990 C GLY A 69 -18.242 0.918 -2.423 1.00 1.11 C ATOM 991 O GLY A 69 -18.761 1.104 -1.314 1.00 63.20 O ATOM 0 H GLY A 69 -20.366 -0.791 -2.499 1.00 53.52 H new ATOM 0 HA2 GLY A 69 -18.531 -0.499 -3.962 1.00 73.31 H new ATOM 0 HA3 GLY A 69 -19.092 1.117 -4.346 1.00 73.31 H new ATOM 995 N VAL A 70 -17.019 1.161 -2.656 1.00 60.32 N ATOM 996 CA VAL A 70 -16.205 1.729 -1.654 1.00 0.43 C ATOM 997 C VAL A 70 -15.846 3.119 -2.056 1.00 14.11 C ATOM 998 O VAL A 70 -14.970 3.360 -2.878 1.00 63.51 O ATOM 999 CB VAL A 70 -14.978 0.865 -1.323 1.00 34.32 C ATOM 1000 CG1 VAL A 70 -15.383 -0.258 -0.407 1.00 4.52 C ATOM 1001 CG2 VAL A 70 -14.447 0.278 -2.575 1.00 33.13 C ATOM 0 H VAL A 70 -16.549 0.975 -3.542 1.00 60.32 H new ATOM 0 HA VAL A 70 -16.768 1.769 -0.722 1.00 0.43 H new ATOM 0 HB VAL A 70 -14.221 1.484 -0.841 1.00 34.32 H new ATOM 0 HG11 VAL A 70 -14.511 -0.869 -0.174 1.00 4.52 H new ATOM 0 HG12 VAL A 70 -15.794 0.154 0.514 1.00 4.52 H new ATOM 0 HG13 VAL A 70 -16.137 -0.874 -0.897 1.00 4.52 H new ATOM 0 HG21 VAL A 70 -13.576 -0.337 -2.348 1.00 33.13 H new ATOM 0 HG22 VAL A 70 -15.215 -0.339 -3.042 1.00 33.13 H new ATOM 0 HG23 VAL A 70 -14.159 1.077 -3.258 1.00 33.13 H new ATOM 1011 N SER A 71 -16.578 4.019 -1.511 1.00 23.00 N ATOM 1012 CA SER A 71 -16.459 5.385 -1.816 1.00 42.44 C ATOM 1013 C SER A 71 -15.544 6.077 -0.814 1.00 25.40 C ATOM 1014 O SER A 71 -14.962 5.416 0.041 1.00 33.50 O ATOM 1015 CB SER A 71 -17.867 5.960 -1.850 1.00 2.35 C ATOM 1016 OG SER A 71 -17.894 7.332 -2.235 1.00 23.43 O ATOM 0 H SER A 71 -17.298 3.812 -0.819 1.00 23.00 H new ATOM 0 HA SER A 71 -15.992 5.545 -2.788 1.00 42.44 H new ATOM 0 HB2 SER A 71 -18.475 5.380 -2.545 1.00 2.35 H new ATOM 0 HB3 SER A 71 -18.321 5.855 -0.865 1.00 2.35 H new ATOM 0 HG SER A 71 -18.820 7.651 -2.243 1.00 23.43 H new ATOM 1022 N PHE A 72 -15.445 7.401 -0.910 1.00 71.22 N ATOM 1023 CA PHE A 72 -14.557 8.217 -0.076 1.00 14.24 C ATOM 1024 C PHE A 72 -14.748 7.929 1.408 1.00 1.23 C ATOM 1025 O PHE A 72 -13.796 8.016 2.194 1.00 1.23 O ATOM 1026 CB PHE A 72 -14.785 9.712 -0.336 1.00 64.41 C ATOM 1027 CG PHE A 72 -14.488 10.154 -1.742 1.00 74.14 C ATOM 1028 CD1 PHE A 72 -13.185 10.401 -2.142 1.00 14.52 C ATOM 1029 CD2 PHE A 72 -15.512 10.335 -2.658 1.00 64.45 C ATOM 1030 CE1 PHE A 72 -12.908 10.818 -3.428 1.00 15.21 C ATOM 1031 CE2 PHE A 72 -15.240 10.751 -3.948 1.00 35.42 C ATOM 1032 CZ PHE A 72 -13.937 10.992 -4.332 1.00 41.24 C ATOM 0 H PHE A 72 -15.987 7.948 -1.579 1.00 71.22 H new ATOM 0 HA PHE A 72 -13.536 7.951 -0.350 1.00 14.24 H new ATOM 0 HB2 PHE A 72 -15.822 9.954 -0.104 1.00 64.41 H new ATOM 0 HB3 PHE A 72 -14.163 10.286 0.351 1.00 64.41 H new ATOM 0 HD1 PHE A 72 -12.376 10.266 -1.439 1.00 14.52 H new ATOM 0 HD2 PHE A 72 -16.534 10.149 -2.361 1.00 64.45 H new ATOM 0 HE1 PHE A 72 -11.888 11.008 -3.727 1.00 15.21 H new ATOM 0 HE2 PHE A 72 -16.046 10.887 -4.654 1.00 35.42 H new ATOM 0 HZ PHE A 72 -13.722 11.317 -5.339 1.00 41.24 H new ATOM 1042 N ASP A 73 -15.968 7.641 1.782 1.00 61.33 N ATOM 1043 CA ASP A 73 -16.301 7.281 3.148 1.00 15.55 C ATOM 1044 C ASP A 73 -15.969 5.803 3.385 1.00 11.33 C ATOM 1045 O ASP A 73 -14.992 5.472 4.058 1.00 4.13 O ATOM 1046 CB ASP A 73 -17.792 7.530 3.398 1.00 42.43 C ATOM 1047 CG ASP A 73 -18.189 7.380 4.850 1.00 52.41 C ATOM 1048 OD1 ASP A 73 -18.475 6.246 5.282 1.00 21.23 O ATOM 1049 OD2 ASP A 73 -18.253 8.403 5.550 1.00 0.23 O ATOM 0 H ASP A 73 -16.767 7.648 1.148 1.00 61.33 H new ATOM 0 HA ASP A 73 -15.718 7.893 3.837 1.00 15.55 H new ATOM 0 HB2 ASP A 73 -18.047 8.535 3.061 1.00 42.43 H new ATOM 0 HB3 ASP A 73 -18.375 6.834 2.795 1.00 42.43 H new ATOM 1054 N ASN A 74 -16.739 4.948 2.708 1.00 62.12 N ATOM 1055 CA ASN A 74 -16.701 3.466 2.821 1.00 4.44 C ATOM 1056 C ASN A 74 -15.313 2.883 2.749 1.00 31.44 C ATOM 1057 O ASN A 74 -14.940 2.052 3.574 1.00 75.43 O ATOM 1058 CB ASN A 74 -17.489 2.829 1.685 1.00 23.01 C ATOM 1059 CG ASN A 74 -18.914 3.262 1.613 1.00 31.35 C ATOM 1060 OD1 ASN A 74 -19.237 4.229 0.930 1.00 72.31 O ATOM 1061 ND2 ASN A 74 -19.758 2.582 2.322 1.00 31.12 N ATOM 0 H ASN A 74 -17.437 5.269 2.037 1.00 62.12 H new ATOM 0 HA ASN A 74 -17.126 3.250 3.801 1.00 4.44 H new ATOM 0 HB2 ASN A 74 -17.000 3.067 0.740 1.00 23.01 H new ATOM 0 HB3 ASN A 74 -17.455 1.745 1.797 1.00 23.01 H new ATOM 0 HD21 ASN A 74 -20.744 2.843 2.330 1.00 31.12 H new ATOM 0 HD22 ASN A 74 -19.437 1.786 2.873 1.00 31.12 H new ATOM 1068 N TYR A 75 -14.560 3.302 1.748 1.00 71.30 N ATOM 1069 CA TYR A 75 -13.252 2.748 1.479 1.00 43.53 C ATOM 1070 C TYR A 75 -12.332 3.024 2.647 1.00 60.01 C ATOM 1071 O TYR A 75 -11.720 2.120 3.197 1.00 40.10 O ATOM 1072 CB TYR A 75 -12.672 3.367 0.194 1.00 51.02 C ATOM 1073 CG TYR A 75 -11.451 2.666 -0.349 1.00 5.01 C ATOM 1074 CD1 TYR A 75 -10.226 2.784 0.266 1.00 21.32 C ATOM 1075 CD2 TYR A 75 -11.531 1.892 -1.486 1.00 63.34 C ATOM 1076 CE1 TYR A 75 -9.122 2.153 -0.227 1.00 2.02 C ATOM 1077 CE2 TYR A 75 -10.428 1.253 -1.989 1.00 12.30 C ATOM 1078 CZ TYR A 75 -9.223 1.385 -1.358 1.00 74.00 C ATOM 1079 OH TYR A 75 -8.116 0.744 -1.855 1.00 5.03 O ATOM 0 H TYR A 75 -14.842 4.037 1.100 1.00 71.30 H new ATOM 0 HA TYR A 75 -13.341 1.670 1.341 1.00 43.53 H new ATOM 0 HB2 TYR A 75 -13.446 3.367 -0.574 1.00 51.02 H new ATOM 0 HB3 TYR A 75 -12.418 4.409 0.391 1.00 51.02 H new ATOM 0 HD1 TYR A 75 -10.137 3.388 1.157 1.00 21.32 H new ATOM 0 HD2 TYR A 75 -12.480 1.787 -1.990 1.00 63.34 H new ATOM 0 HE1 TYR A 75 -8.170 2.258 0.273 1.00 2.02 H new ATOM 0 HE2 TYR A 75 -10.511 0.648 -2.880 1.00 12.30 H new ATOM 0 HH TYR A 75 -8.362 0.242 -2.660 1.00 5.03 H new ATOM 1089 N VAL A 76 -12.293 4.258 3.062 1.00 54.42 N ATOM 1090 CA VAL A 76 -11.397 4.666 4.113 1.00 43.32 C ATOM 1091 C VAL A 76 -11.834 4.091 5.452 1.00 75.43 C ATOM 1092 O VAL A 76 -11.000 3.747 6.278 1.00 55.34 O ATOM 1093 CB VAL A 76 -11.251 6.193 4.171 1.00 3.12 C ATOM 1094 CG1 VAL A 76 -10.277 6.598 5.250 1.00 72.00 C ATOM 1095 CG2 VAL A 76 -10.782 6.710 2.829 1.00 34.24 C ATOM 0 H VAL A 76 -12.875 5.007 2.687 1.00 54.42 H new ATOM 0 HA VAL A 76 -10.411 4.262 3.885 1.00 43.32 H new ATOM 0 HB VAL A 76 -12.222 6.627 4.408 1.00 3.12 H new ATOM 0 HG11 VAL A 76 -10.190 7.684 5.272 1.00 72.00 H new ATOM 0 HG12 VAL A 76 -10.636 6.243 6.216 1.00 72.00 H new ATOM 0 HG13 VAL A 76 -9.301 6.160 5.042 1.00 72.00 H new ATOM 0 HG21 VAL A 76 -10.679 7.794 2.873 1.00 34.24 H new ATOM 0 HG22 VAL A 76 -9.818 6.264 2.584 1.00 34.24 H new ATOM 0 HG23 VAL A 76 -11.510 6.445 2.062 1.00 34.24 H new ATOM 1105 N GLN A 77 -13.136 3.924 5.612 1.00 34.22 N ATOM 1106 CA GLN A 77 -13.710 3.301 6.802 1.00 61.33 C ATOM 1107 C GLN A 77 -13.230 1.831 6.862 1.00 21.34 C ATOM 1108 O GLN A 77 -13.138 1.237 7.918 1.00 63.31 O ATOM 1109 CB GLN A 77 -15.262 3.430 6.732 1.00 53.22 C ATOM 1110 CG GLN A 77 -16.061 3.105 8.015 1.00 3.01 C ATOM 1111 CD GLN A 77 -16.224 1.621 8.335 1.00 74.14 C ATOM 1112 OE1 GLN A 77 -16.316 1.235 9.490 1.00 63.51 O ATOM 1113 NE2 GLN A 77 -16.326 0.795 7.321 1.00 23.05 N ATOM 0 H GLN A 77 -13.829 4.215 4.922 1.00 34.22 H new ATOM 0 HA GLN A 77 -13.384 3.793 7.718 1.00 61.33 H new ATOM 0 HB2 GLN A 77 -15.502 4.451 6.435 1.00 53.22 H new ATOM 0 HB3 GLN A 77 -15.619 2.775 5.938 1.00 53.22 H new ATOM 0 HG2 GLN A 77 -15.569 3.588 8.859 1.00 3.01 H new ATOM 0 HG3 GLN A 77 -17.052 3.550 7.926 1.00 3.01 H new ATOM 0 HE21 GLN A 77 -16.245 1.146 6.367 1.00 23.05 H new ATOM 0 HE22 GLN A 77 -16.486 -0.199 7.487 1.00 23.05 H new ATOM 1122 N TYR A 78 -12.882 1.280 5.701 1.00 22.22 N ATOM 1123 CA TYR A 78 -12.346 -0.045 5.639 1.00 44.23 C ATOM 1124 C TYR A 78 -10.835 -0.024 5.893 1.00 32.44 C ATOM 1125 O TYR A 78 -10.307 -0.781 6.699 1.00 41.22 O ATOM 1126 CB TYR A 78 -12.607 -0.678 4.248 1.00 1.15 C ATOM 1127 CG TYR A 78 -11.725 -1.890 3.956 1.00 74.44 C ATOM 1128 CD1 TYR A 78 -11.839 -3.065 4.689 1.00 1.41 C ATOM 1129 CD2 TYR A 78 -10.753 -1.833 2.961 1.00 33.10 C ATOM 1130 CE1 TYR A 78 -11.006 -4.140 4.444 1.00 72.04 C ATOM 1131 CE2 TYR A 78 -9.927 -2.908 2.707 1.00 43.35 C ATOM 1132 CZ TYR A 78 -10.054 -4.057 3.453 1.00 54.44 C ATOM 1133 OH TYR A 78 -9.223 -5.127 3.209 1.00 24.35 O ATOM 0 H TYR A 78 -12.968 1.746 4.798 1.00 22.22 H new ATOM 0 HA TYR A 78 -12.841 -0.639 6.408 1.00 44.23 H new ATOM 0 HB2 TYR A 78 -13.653 -0.976 4.184 1.00 1.15 H new ATOM 0 HB3 TYR A 78 -12.442 0.076 3.478 1.00 1.15 H new ATOM 0 HD1 TYR A 78 -12.590 -3.139 5.462 1.00 1.41 H new ATOM 0 HD2 TYR A 78 -10.644 -0.931 2.377 1.00 33.10 H new ATOM 0 HE1 TYR A 78 -11.102 -5.043 5.029 1.00 72.04 H new ATOM 0 HE2 TYR A 78 -9.184 -2.848 1.926 1.00 43.35 H new ATOM 0 HH TYR A 78 -9.689 -5.960 3.429 1.00 24.35 H new ATOM 1143 N MET A 79 -10.157 0.854 5.194 1.00 70.02 N ATOM 1144 CA MET A 79 -8.714 0.816 5.137 1.00 72.54 C ATOM 1145 C MET A 79 -7.975 1.561 6.249 1.00 62.31 C ATOM 1146 O MET A 79 -6.914 1.107 6.656 1.00 74.15 O ATOM 1147 CB MET A 79 -8.218 1.233 3.745 1.00 70.42 C ATOM 1148 CG MET A 79 -6.703 1.171 3.570 1.00 50.14 C ATOM 1149 SD MET A 79 -6.180 1.462 1.873 1.00 12.43 S ATOM 1150 CE MET A 79 -6.877 0.020 1.054 1.00 33.53 C ATOM 0 H MET A 79 -10.583 1.607 4.654 1.00 70.02 H new ATOM 0 HA MET A 79 -8.458 -0.227 5.323 1.00 72.54 H new ATOM 0 HB2 MET A 79 -8.684 0.590 2.999 1.00 70.42 H new ATOM 0 HB3 MET A 79 -8.553 2.250 3.543 1.00 70.42 H new ATOM 0 HG2 MET A 79 -6.237 1.911 4.220 1.00 50.14 H new ATOM 0 HG3 MET A 79 -6.345 0.193 3.892 1.00 50.14 H new ATOM 0 HE1 MET A 79 -6.564 0.008 0.010 1.00 33.53 H new ATOM 0 HE2 MET A 79 -6.525 -0.885 1.549 1.00 33.53 H new ATOM 0 HE3 MET A 79 -7.965 0.062 1.106 1.00 33.53 H new ATOM 1160 N LYS A 80 -8.512 2.660 6.772 1.00 50.25 N ATOM 1161 CA LYS A 80 -7.747 3.441 7.757 1.00 22.54 C ATOM 1162 C LYS A 80 -7.480 2.613 8.995 1.00 63.24 C ATOM 1163 O LYS A 80 -6.341 2.439 9.375 1.00 2.02 O ATOM 1164 CB LYS A 80 -8.405 4.763 8.125 1.00 12.11 C ATOM 1165 CG LYS A 80 -7.463 5.679 8.909 1.00 31.13 C ATOM 1166 CD LYS A 80 -8.172 6.877 9.508 1.00 73.10 C ATOM 1167 CE LYS A 80 -9.190 6.439 10.544 1.00 73.02 C ATOM 1168 NZ LYS A 80 -8.573 5.657 11.645 1.00 23.33 N ATOM 0 H LYS A 80 -9.437 3.025 6.546 1.00 50.25 H new ATOM 0 HA LYS A 80 -6.801 3.696 7.280 1.00 22.54 H new ATOM 0 HB2 LYS A 80 -8.730 5.270 7.217 1.00 12.11 H new ATOM 0 HB3 LYS A 80 -9.298 4.569 8.719 1.00 12.11 H new ATOM 0 HG2 LYS A 80 -6.988 5.107 9.707 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -6.668 6.026 8.249 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -7.443 7.544 9.968 1.00 73.10 H new ATOM 0 HD3 LYS A 80 -8.669 7.442 8.720 1.00 73.10 H new ATOM 0 HE2 LYS A 80 -9.685 7.318 10.958 1.00 73.02 H new ATOM 0 HE3 LYS A 80 -9.960 5.837 10.061 1.00 73.02 H new ATOM 0 HZ1 LYS A 80 -9.312 5.351 12.310 1.00 23.33 H new ATOM 0 HZ2 LYS A 80 -8.094 4.822 11.252 1.00 23.33 H new ATOM 0 HZ3 LYS A 80 -7.880 6.249 12.146 1.00 23.33 H new ATOM 1182 N GLU A 81 -8.529 2.058 9.559 1.00 31.25 N ATOM 1183 CA GLU A 81 -8.449 1.141 10.699 1.00 53.41 C ATOM 1184 C GLU A 81 -7.506 -0.053 10.420 1.00 31.21 C ATOM 1185 O GLU A 81 -6.918 -0.617 11.332 1.00 12.13 O ATOM 1186 CB GLU A 81 -9.862 0.659 11.075 1.00 61.11 C ATOM 1187 CG GLU A 81 -10.681 1.629 11.958 1.00 61.03 C ATOM 1188 CD GLU A 81 -10.629 3.091 11.530 1.00 64.20 C ATOM 1189 OE1 GLU A 81 -10.814 3.393 10.334 1.00 23.22 O ATOM 1190 OE2 GLU A 81 -10.381 3.961 12.404 1.00 60.23 O ATOM 0 H GLU A 81 -9.483 2.227 9.241 1.00 31.25 H new ATOM 0 HA GLU A 81 -8.021 1.683 11.542 1.00 53.41 H new ATOM 0 HB2 GLU A 81 -10.420 0.471 10.157 1.00 61.11 H new ATOM 0 HB3 GLU A 81 -9.776 -0.294 11.596 1.00 61.11 H new ATOM 0 HG2 GLU A 81 -11.721 1.304 11.960 1.00 61.03 H new ATOM 0 HG3 GLU A 81 -10.321 1.554 12.984 1.00 61.03 H new ATOM 1197 N LYS A 82 -7.352 -0.414 9.148 1.00 51.02 N ATOM 1198 CA LYS A 82 -6.432 -1.475 8.762 1.00 14.10 C ATOM 1199 C LYS A 82 -4.994 -0.963 8.704 1.00 33.02 C ATOM 1200 O LYS A 82 -4.061 -1.741 8.842 1.00 13.22 O ATOM 1201 CB LYS A 82 -6.811 -2.106 7.415 1.00 74.24 C ATOM 1202 CG LYS A 82 -8.114 -2.904 7.412 1.00 73.05 C ATOM 1203 CD LYS A 82 -8.108 -4.141 8.342 1.00 31.24 C ATOM 1204 CE LYS A 82 -7.066 -5.211 7.954 1.00 45.05 C ATOM 1205 NZ LYS A 82 -5.688 -4.884 8.405 1.00 74.40 N ATOM 0 H LYS A 82 -7.853 0.014 8.369 1.00 51.02 H new ATOM 0 HA LYS A 82 -6.506 -2.245 9.530 1.00 14.10 H new ATOM 0 HB2 LYS A 82 -6.887 -1.314 6.670 1.00 74.24 H new ATOM 0 HB3 LYS A 82 -6.001 -2.763 7.099 1.00 74.24 H new ATOM 0 HG2 LYS A 82 -8.930 -2.245 7.709 1.00 73.05 H new ATOM 0 HG3 LYS A 82 -8.323 -3.231 6.394 1.00 73.05 H new ATOM 0 HD2 LYS A 82 -7.915 -3.814 9.364 1.00 31.24 H new ATOM 0 HD3 LYS A 82 -9.099 -4.594 8.334 1.00 31.24 H new ATOM 0 HE2 LYS A 82 -7.363 -6.169 8.382 1.00 45.05 H new ATOM 0 HE3 LYS A 82 -7.067 -5.332 6.871 1.00 45.05 H new ATOM 0 HZ1 LYS A 82 -5.112 -4.604 7.586 1.00 74.40 H new ATOM 0 HZ2 LYS A 82 -5.723 -4.100 9.088 1.00 74.40 H new ATOM 0 HZ3 LYS A 82 -5.264 -5.719 8.858 1.00 74.40 H new ATOM 1219 N ASN A 83 -4.835 0.324 8.454 1.00 60.33 N ATOM 1220 CA ASN A 83 -3.512 0.966 8.443 1.00 44.51 C ATOM 1221 C ASN A 83 -3.060 1.270 9.862 1.00 42.30 C ATOM 1222 O ASN A 83 -1.930 0.986 10.215 1.00 15.44 O ATOM 1223 CB ASN A 83 -3.470 2.260 7.572 1.00 72.32 C ATOM 1224 CG ASN A 83 -3.551 2.001 6.062 1.00 13.43 C ATOM 1225 OD1 ASN A 83 -4.156 1.026 5.614 1.00 40.13 O ATOM 1226 ND2 ASN A 83 -2.951 2.870 5.265 1.00 53.22 N ATOM 0 H ASN A 83 -5.607 0.959 8.253 1.00 60.33 H new ATOM 0 HA ASN A 83 -2.823 0.256 7.985 1.00 44.51 H new ATOM 0 HB2 ASN A 83 -4.296 2.908 7.863 1.00 72.32 H new ATOM 0 HB3 ASN A 83 -2.549 2.801 7.788 1.00 72.32 H new ATOM 0 HD21 ASN A 83 -2.983 2.741 4.254 1.00 53.22 H new ATOM 0 HD22 ASN A 83 -2.457 3.669 5.662 1.00 53.22 H new ATOM 1345 N LEU A 92 11.480 -0.484 7.313 1.00 75.22 N ATOM 1346 CA LEU A 92 12.292 -0.036 6.183 1.00 55.31 C ATOM 1347 C LEU A 92 13.763 -0.033 6.592 1.00 33.22 C ATOM 1348 O LEU A 92 14.627 -0.457 5.835 1.00 20.05 O ATOM 1349 CB LEU A 92 11.807 1.378 5.734 1.00 1.51 C ATOM 1350 CG LEU A 92 12.342 1.995 4.417 1.00 1.34 C ATOM 1351 CD1 LEU A 92 13.795 2.431 4.508 1.00 54.14 C ATOM 1352 CD2 LEU A 92 12.140 1.031 3.276 1.00 54.42 C ATOM 0 HA LEU A 92 12.183 -0.713 5.336 1.00 55.31 H new ATOM 0 HB2 LEU A 92 10.720 1.339 5.657 1.00 1.51 H new ATOM 0 HB3 LEU A 92 12.045 2.074 6.539 1.00 1.51 H new ATOM 0 HG LEU A 92 11.766 2.902 4.232 1.00 1.34 H new ATOM 0 HD11 LEU A 92 14.108 2.854 3.554 1.00 54.14 H new ATOM 0 HD12 LEU A 92 13.901 3.182 5.290 1.00 54.14 H new ATOM 0 HD13 LEU A 92 14.419 1.570 4.745 1.00 54.14 H new ATOM 0 HD21 LEU A 92 12.519 1.473 2.355 1.00 54.42 H new ATOM 0 HD22 LEU A 92 12.678 0.105 3.482 1.00 54.42 H new ATOM 0 HD23 LEU A 92 11.077 0.816 3.165 1.00 54.42 H new ATOM 1364 N ASN A 93 14.016 0.359 7.822 1.00 53.14 N ATOM 1365 CA ASN A 93 15.371 0.422 8.343 1.00 34.41 C ATOM 1366 C ASN A 93 15.897 -0.985 8.584 1.00 1.45 C ATOM 1367 O ASN A 93 17.084 -1.267 8.403 1.00 3.33 O ATOM 1368 CB ASN A 93 15.396 1.235 9.652 1.00 0.32 C ATOM 1369 CG ASN A 93 16.767 1.280 10.318 1.00 4.20 C ATOM 1370 OD1 ASN A 93 17.577 2.141 10.026 1.00 64.32 O ATOM 1371 ND2 ASN A 93 17.015 0.378 11.245 1.00 60.32 N ATOM 0 H ASN A 93 13.297 0.642 8.487 1.00 53.14 H new ATOM 0 HA ASN A 93 16.012 0.917 7.614 1.00 34.41 H new ATOM 0 HB2 ASN A 93 15.069 2.254 9.443 1.00 0.32 H new ATOM 0 HB3 ASN A 93 14.677 0.806 10.350 1.00 0.32 H new ATOM 0 HD21 ASN A 93 17.906 0.388 11.741 1.00 60.32 H new ATOM 0 HD22 ASN A 93 16.316 -0.331 11.467 1.00 60.32 H new ATOM 1378 N GLU A 94 14.994 -1.882 8.903 1.00 41.00 N ATOM 1379 CA GLU A 94 15.351 -3.224 9.270 1.00 32.31 C ATOM 1380 C GLU A 94 15.703 -4.030 8.033 1.00 20.15 C ATOM 1381 O GLU A 94 16.795 -4.605 7.952 1.00 31.34 O ATOM 1382 CB GLU A 94 14.212 -3.846 10.062 1.00 43.23 C ATOM 1383 CG GLU A 94 13.916 -3.082 11.346 1.00 21.12 C ATOM 1384 CD GLU A 94 12.664 -3.549 12.027 1.00 11.53 C ATOM 1385 OE1 GLU A 94 12.685 -4.612 12.650 1.00 15.40 O ATOM 1386 OE2 GLU A 94 11.632 -2.852 11.907 1.00 33.42 O ATOM 0 H GLU A 94 13.991 -1.698 8.914 1.00 41.00 H new ATOM 0 HA GLU A 94 16.237 -3.217 9.906 1.00 32.31 H new ATOM 0 HB2 GLU A 94 13.315 -3.874 9.443 1.00 43.23 H new ATOM 0 HB3 GLU A 94 14.463 -4.878 10.306 1.00 43.23 H new ATOM 0 HG2 GLU A 94 14.758 -3.191 12.030 1.00 21.12 H new ATOM 0 HG3 GLU A 94 13.825 -2.020 11.118 1.00 21.12 H new ATOM 1393 N ILE A 95 14.826 -4.001 7.032 1.00 21.11 N ATOM 1394 CA ILE A 95 15.073 -4.718 5.785 1.00 74.25 C ATOM 1395 C ILE A 95 16.349 -4.181 5.100 1.00 42.12 C ATOM 1396 O ILE A 95 17.162 -4.955 4.574 1.00 54.41 O ATOM 1397 CB ILE A 95 13.830 -4.710 4.813 1.00 33.33 C ATOM 1398 CG1 ILE A 95 14.107 -5.504 3.524 1.00 23.04 C ATOM 1399 CG2 ILE A 95 13.360 -3.303 4.481 1.00 33.04 C ATOM 1400 CD1 ILE A 95 14.354 -6.986 3.747 1.00 54.41 C ATOM 0 H ILE A 95 13.943 -3.491 7.060 1.00 21.11 H new ATOM 0 HA ILE A 95 15.235 -5.765 6.039 1.00 74.25 H new ATOM 0 HB ILE A 95 13.023 -5.206 5.352 1.00 33.33 H new ATOM 0 HG12 ILE A 95 13.260 -5.386 2.849 1.00 23.04 H new ATOM 0 HG13 ILE A 95 14.975 -5.073 3.025 1.00 23.04 H new ATOM 0 HG21 ILE A 95 12.503 -3.355 3.809 1.00 33.04 H new ATOM 0 HG22 ILE A 95 13.072 -2.790 5.398 1.00 33.04 H new ATOM 0 HG23 ILE A 95 14.168 -2.754 3.997 1.00 33.04 H new ATOM 0 HD11 ILE A 95 14.541 -7.472 2.789 1.00 54.41 H new ATOM 0 HD12 ILE A 95 15.220 -7.117 4.395 1.00 54.41 H new ATOM 0 HD13 ILE A 95 13.478 -7.434 4.216 1.00 54.41 H new ATOM 1412 N PHE A 96 16.572 -2.867 5.201 1.00 61.10 N ATOM 1413 CA PHE A 96 17.795 -2.255 4.673 1.00 11.24 C ATOM 1414 C PHE A 96 19.032 -2.775 5.385 1.00 33.32 C ATOM 1415 O PHE A 96 20.083 -2.885 4.781 1.00 45.24 O ATOM 1416 CB PHE A 96 17.751 -0.718 4.718 1.00 34.41 C ATOM 1417 CG PHE A 96 17.058 -0.070 3.540 1.00 65.42 C ATOM 1418 CD1 PHE A 96 15.947 -0.649 2.951 1.00 32.12 C ATOM 1419 CD2 PHE A 96 17.543 1.116 3.012 1.00 13.44 C ATOM 1420 CE1 PHE A 96 15.329 -0.061 1.871 1.00 73.21 C ATOM 1421 CE2 PHE A 96 16.929 1.711 1.929 1.00 53.34 C ATOM 1422 CZ PHE A 96 15.818 1.120 1.359 1.00 4.42 C ATOM 0 H PHE A 96 15.927 -2.211 5.640 1.00 61.10 H new ATOM 0 HA PHE A 96 17.854 -2.547 3.625 1.00 11.24 H new ATOM 0 HB2 PHE A 96 17.246 -0.409 5.634 1.00 34.41 H new ATOM 0 HB3 PHE A 96 18.772 -0.340 4.774 1.00 34.41 H new ATOM 0 HD1 PHE A 96 15.559 -1.577 3.345 1.00 32.12 H new ATOM 0 HD2 PHE A 96 18.412 1.580 3.454 1.00 13.44 H new ATOM 0 HE1 PHE A 96 14.462 -0.525 1.426 1.00 73.21 H new ATOM 0 HE2 PHE A 96 17.316 2.636 1.528 1.00 53.34 H new ATOM 0 HZ PHE A 96 15.333 1.584 0.513 1.00 4.42 H new ATOM 1432 N SER A 97 18.884 -3.177 6.638 1.00 71.32 N ATOM 1433 CA SER A 97 20.009 -3.693 7.387 1.00 54.43 C ATOM 1434 C SER A 97 20.308 -5.136 6.955 1.00 71.42 C ATOM 1435 O SER A 97 21.361 -5.680 7.249 1.00 54.14 O ATOM 1436 CB SER A 97 19.722 -3.622 8.893 1.00 2.13 C ATOM 1437 OG SER A 97 19.443 -2.285 9.304 1.00 42.03 O ATOM 0 H SER A 97 18.002 -3.155 7.150 1.00 71.32 H new ATOM 0 HA SER A 97 20.887 -3.081 7.179 1.00 54.43 H new ATOM 0 HB2 SER A 97 18.875 -4.264 9.135 1.00 2.13 H new ATOM 0 HB3 SER A 97 20.579 -4.004 9.447 1.00 2.13 H new ATOM 0 HG SER A 97 18.596 -1.991 8.908 1.00 42.03 H new ATOM 1443 N THR A 98 19.360 -5.742 6.255 1.00 71.31 N ATOM 1444 CA THR A 98 19.517 -7.084 5.773 1.00 32.25 C ATOM 1445 C THR A 98 20.140 -7.080 4.362 1.00 74.24 C ATOM 1446 O THR A 98 21.067 -7.824 4.084 1.00 0.20 O ATOM 1447 CB THR A 98 18.147 -7.790 5.738 1.00 33.00 C ATOM 1448 OG1 THR A 98 17.495 -7.603 7.004 1.00 45.32 O ATOM 1449 CG2 THR A 98 18.303 -9.284 5.474 1.00 20.31 C ATOM 0 H THR A 98 18.469 -5.310 6.012 1.00 71.31 H new ATOM 0 HA THR A 98 20.183 -7.622 6.447 1.00 32.25 H new ATOM 0 HB THR A 98 17.555 -7.358 4.931 1.00 33.00 H new ATOM 0 HG1 THR A 98 16.622 -8.047 6.991 1.00 45.32 H new ATOM 0 HG21 THR A 98 17.320 -9.755 5.455 1.00 20.31 H new ATOM 0 HG22 THR A 98 18.796 -9.434 4.513 1.00 20.31 H new ATOM 0 HG23 THR A 98 18.905 -9.732 6.265 1.00 20.31 H new ATOM 1457 N ILE A 99 19.622 -6.228 3.488 1.00 2.01 N ATOM 1458 CA ILE A 99 20.080 -6.202 2.095 1.00 41.41 C ATOM 1459 C ILE A 99 21.230 -5.265 1.799 1.00 14.13 C ATOM 1460 O ILE A 99 22.166 -5.628 1.093 1.00 44.02 O ATOM 1461 CB ILE A 99 18.969 -5.918 1.109 1.00 73.30 C ATOM 1462 CG1 ILE A 99 18.069 -4.739 1.543 1.00 52.34 C ATOM 1463 CG2 ILE A 99 18.191 -7.166 0.795 1.00 12.32 C ATOM 1464 CD1 ILE A 99 16.908 -4.453 0.606 1.00 24.53 C ATOM 0 H ILE A 99 18.892 -5.551 3.710 1.00 2.01 H new ATOM 0 HA ILE A 99 20.449 -7.219 1.963 1.00 41.41 H new ATOM 0 HB ILE A 99 19.437 -5.591 0.181 1.00 73.30 H new ATOM 0 HG12 ILE A 99 17.674 -4.947 2.537 1.00 52.34 H new ATOM 0 HG13 ILE A 99 18.682 -3.842 1.625 1.00 52.34 H new ATOM 0 HG21 ILE A 99 17.399 -6.932 0.084 1.00 12.32 H new ATOM 0 HG22 ILE A 99 18.858 -7.912 0.362 1.00 12.32 H new ATOM 0 HG23 ILE A 99 17.751 -7.561 1.711 1.00 12.32 H new ATOM 0 HD11 ILE A 99 16.331 -3.611 0.988 1.00 24.53 H new ATOM 0 HD12 ILE A 99 17.292 -4.210 -0.385 1.00 24.53 H new ATOM 0 HD13 ILE A 99 16.267 -5.333 0.541 1.00 24.53 H new ATOM 1476 N ALA A 100 21.194 -4.079 2.362 1.00 3.13 N ATOM 1477 CA ALA A 100 22.206 -3.069 2.077 1.00 33.43 C ATOM 1478 C ALA A 100 23.412 -3.274 2.980 1.00 60.23 C ATOM 1479 O ALA A 100 24.343 -2.469 3.029 1.00 22.10 O ATOM 1480 CB ALA A 100 21.599 -1.695 2.239 1.00 54.13 C ATOM 0 H ALA A 100 20.476 -3.783 3.023 1.00 3.13 H new ATOM 0 HA ALA A 100 22.553 -3.163 1.048 1.00 33.43 H new ATOM 0 HB1 ALA A 100 22.353 -0.937 2.027 1.00 54.13 H new ATOM 0 HB2 ALA A 100 20.765 -1.582 1.546 1.00 54.13 H new ATOM 0 HB3 ALA A 100 21.240 -1.574 3.261 1.00 54.13 H new ATOM 1486 N ALA A 101 23.375 -4.405 3.618 1.00 61.20 N ATOM 1487 CA ALA A 101 24.319 -4.893 4.560 1.00 11.42 C ATOM 1488 C ALA A 101 25.738 -4.945 3.987 1.00 34.43 C ATOM 1489 O ALA A 101 26.065 -5.808 3.175 1.00 35.33 O ATOM 1490 CB ALA A 101 23.857 -6.276 4.959 1.00 2.15 C ATOM 0 H ALA A 101 22.610 -5.065 3.474 1.00 61.20 H new ATOM 0 HA ALA A 101 24.367 -4.222 5.418 1.00 11.42 H new ATOM 0 HB1 ALA A 101 24.553 -6.697 5.685 1.00 2.15 H new ATOM 0 HB2 ALA A 101 22.863 -6.214 5.402 1.00 2.15 H new ATOM 0 HB3 ALA A 101 23.822 -6.916 4.078 1.00 2.15 H new ATOM 1496 N GLY A 102 26.542 -3.972 4.362 1.00 72.22 N ATOM 1497 CA GLY A 102 27.935 -3.968 3.976 1.00 1.01 C ATOM 1498 C GLY A 102 28.188 -3.261 2.668 1.00 33.44 C ATOM 1499 O GLY A 102 29.312 -3.243 2.180 1.00 11.22 O ATOM 0 H GLY A 102 26.255 -3.176 4.932 1.00 72.22 H new ATOM 0 HA2 GLY A 102 28.521 -3.488 4.760 1.00 1.01 H new ATOM 0 HA3 GLY A 102 28.287 -4.997 3.899 1.00 1.01 H new ATOM 1503 N LYS A 103 27.157 -2.682 2.103 1.00 71.22 N ATOM 1504 CA LYS A 103 27.299 -1.978 0.854 1.00 40.23 C ATOM 1505 C LYS A 103 27.318 -0.487 1.092 1.00 11.44 C ATOM 1506 O LYS A 103 27.086 -0.024 2.211 1.00 52.14 O ATOM 1507 CB LYS A 103 26.168 -2.327 -0.120 1.00 14.33 C ATOM 1508 CG LYS A 103 26.108 -3.791 -0.539 1.00 23.44 C ATOM 1509 CD LYS A 103 25.062 -4.014 -1.630 1.00 42.12 C ATOM 1510 CE LYS A 103 23.644 -3.739 -1.146 1.00 2.45 C ATOM 1511 NZ LYS A 103 22.680 -3.799 -2.245 1.00 2.44 N ATOM 0 H LYS A 103 26.212 -2.685 2.488 1.00 71.22 H new ATOM 0 HA LYS A 103 28.244 -2.289 0.408 1.00 40.23 H new ATOM 0 HB2 LYS A 103 25.217 -2.057 0.339 1.00 14.33 H new ATOM 0 HB3 LYS A 103 26.276 -1.713 -1.014 1.00 14.33 H new ATOM 0 HG2 LYS A 103 27.086 -4.109 -0.900 1.00 23.44 H new ATOM 0 HG3 LYS A 103 25.871 -4.410 0.327 1.00 23.44 H new ATOM 0 HD2 LYS A 103 25.284 -3.367 -2.479 1.00 42.12 H new ATOM 0 HD3 LYS A 103 25.127 -5.042 -1.987 1.00 42.12 H new ATOM 0 HE2 LYS A 103 23.372 -4.467 -0.382 1.00 2.45 H new ATOM 0 HE3 LYS A 103 23.603 -2.755 -0.678 1.00 2.45 H new ATOM 0 HZ1 LYS A 103 21.728 -3.590 -1.883 1.00 2.44 H new ATOM 0 HZ2 LYS A 103 22.936 -3.099 -2.970 1.00 2.44 H new ATOM 0 HZ3 LYS A 103 22.690 -4.751 -2.664 1.00 2.44 H new ATOM 1525 N ASP A 104 27.617 0.243 0.062 1.00 51.44 N ATOM 1526 CA ASP A 104 27.596 1.696 0.078 1.00 43.35 C ATOM 1527 C ASP A 104 26.206 2.188 -0.266 1.00 54.03 C ATOM 1528 O ASP A 104 25.671 3.091 0.371 1.00 41.34 O ATOM 1529 CB ASP A 104 28.601 2.236 -0.959 1.00 74.43 C ATOM 1530 CG ASP A 104 28.367 1.637 -2.347 1.00 2.23 C ATOM 1531 OD1 ASP A 104 28.677 0.444 -2.530 1.00 22.41 O ATOM 1532 OD2 ASP A 104 27.815 2.327 -3.229 1.00 54.14 O ATOM 0 H ASP A 104 27.890 -0.151 -0.838 1.00 51.44 H new ATOM 0 HA ASP A 104 27.871 2.050 1.072 1.00 43.35 H new ATOM 0 HB2 ASP A 104 28.518 3.321 -1.014 1.00 74.43 H new ATOM 0 HB3 ASP A 104 29.616 2.010 -0.633 1.00 74.43 H new ATOM 1537 N SER A 105 25.603 1.541 -1.225 1.00 2.05 N ATOM 1538 CA SER A 105 24.343 1.943 -1.736 1.00 14.25 C ATOM 1539 C SER A 105 23.422 0.725 -1.867 1.00 63.54 C ATOM 1540 O SER A 105 23.803 -0.393 -1.481 1.00 23.22 O ATOM 1541 CB SER A 105 24.561 2.628 -3.078 1.00 70.53 C ATOM 1542 OG SER A 105 25.519 3.666 -2.970 1.00 1.11 O ATOM 0 H SER A 105 25.987 0.709 -1.673 1.00 2.05 H new ATOM 0 HA SER A 105 23.861 2.646 -1.057 1.00 14.25 H new ATOM 0 HB2 SER A 105 24.894 1.896 -3.814 1.00 70.53 H new ATOM 0 HB3 SER A 105 23.617 3.036 -3.439 1.00 70.53 H new ATOM 0 HG SER A 105 26.407 3.316 -3.192 1.00 1.11 H new ATOM 1548 N ILE A 106 22.221 0.943 -2.346 1.00 20.02 N ATOM 1549 CA ILE A 106 21.247 -0.107 -2.501 1.00 54.04 C ATOM 1550 C ILE A 106 20.478 0.008 -3.860 1.00 61.22 C ATOM 1551 O ILE A 106 19.716 0.938 -4.085 1.00 55.45 O ATOM 1552 CB ILE A 106 20.284 -0.111 -1.275 1.00 60.12 C ATOM 1553 CG1 ILE A 106 19.156 -1.088 -1.473 1.00 24.04 C ATOM 1554 CG2 ILE A 106 19.736 1.289 -0.989 1.00 12.32 C ATOM 1555 CD1 ILE A 106 18.300 -1.281 -0.242 1.00 1.44 C ATOM 0 H ILE A 106 21.891 1.862 -2.641 1.00 20.02 H new ATOM 0 HA ILE A 106 21.765 -1.065 -2.532 1.00 54.04 H new ATOM 0 HB ILE A 106 20.864 -0.429 -0.409 1.00 60.12 H new ATOM 0 HG12 ILE A 106 18.526 -0.742 -2.293 1.00 24.04 H new ATOM 0 HG13 ILE A 106 19.569 -2.051 -1.773 1.00 24.04 H new ATOM 0 HG21 ILE A 106 19.068 1.250 -0.128 1.00 12.32 H new ATOM 0 HG22 ILE A 106 20.563 1.967 -0.776 1.00 12.32 H new ATOM 0 HG23 ILE A 106 19.186 1.649 -1.859 1.00 12.32 H new ATOM 0 HD11 ILE A 106 17.508 -1.998 -0.458 1.00 1.44 H new ATOM 0 HD12 ILE A 106 18.916 -1.657 0.575 1.00 1.44 H new ATOM 0 HD13 ILE A 106 17.858 -0.328 0.047 1.00 1.44 H new ATOM 1567 N THR A 107 20.750 -0.915 -4.768 1.00 53.14 N ATOM 1568 CA THR A 107 20.112 -0.954 -6.084 1.00 45.25 C ATOM 1569 C THR A 107 18.614 -1.292 -6.034 1.00 21.11 C ATOM 1570 O THR A 107 18.127 -1.874 -5.067 1.00 3.20 O ATOM 1571 CB THR A 107 20.821 -1.974 -7.003 1.00 73.33 C ATOM 1572 OG1 THR A 107 21.388 -3.037 -6.224 1.00 64.24 O ATOM 1573 CG2 THR A 107 21.867 -1.325 -7.886 1.00 60.53 C ATOM 0 H THR A 107 21.424 -1.666 -4.616 1.00 53.14 H new ATOM 0 HA THR A 107 20.207 0.056 -6.483 1.00 45.25 H new ATOM 0 HB THR A 107 20.067 -2.392 -7.670 1.00 73.33 H new ATOM 0 HG1 THR A 107 21.833 -3.677 -6.818 1.00 64.24 H new ATOM 0 HG21 THR A 107 22.336 -2.084 -8.512 1.00 60.53 H new ATOM 0 HG22 THR A 107 21.394 -0.574 -8.519 1.00 60.53 H new ATOM 0 HG23 THR A 107 22.625 -0.850 -7.263 1.00 60.53 H new ATOM 1581 N GLU A 108 17.893 -0.936 -7.111 1.00 44.30 N ATOM 1582 CA GLU A 108 16.469 -1.272 -7.266 1.00 24.20 C ATOM 1583 C GLU A 108 16.257 -2.758 -7.090 1.00 32.14 C ATOM 1584 O GLU A 108 15.422 -3.201 -6.317 1.00 31.54 O ATOM 1585 CB GLU A 108 15.984 -0.914 -8.660 1.00 14.50 C ATOM 1586 CG GLU A 108 14.592 -1.446 -8.928 1.00 11.01 C ATOM 1587 CD GLU A 108 13.542 -0.735 -8.107 1.00 24.33 C ATOM 1588 OE1 GLU A 108 13.274 -1.181 -6.991 1.00 30.41 O ATOM 1589 OE2 GLU A 108 12.980 0.273 -8.585 1.00 22.14 O ATOM 0 H GLU A 108 18.280 -0.410 -7.895 1.00 44.30 H new ATOM 0 HA GLU A 108 15.918 -0.710 -6.512 1.00 24.20 H new ATOM 0 HB2 GLU A 108 15.987 0.170 -8.778 1.00 14.50 H new ATOM 0 HB3 GLU A 108 16.675 -1.318 -9.400 1.00 14.50 H new ATOM 0 HG2 GLU A 108 14.360 -1.334 -9.987 1.00 11.01 H new ATOM 0 HG3 GLU A 108 14.564 -2.513 -8.706 1.00 11.01 H new ATOM 1596 N THR A 109 17.035 -3.508 -7.816 1.00 13.03 N ATOM 1597 CA THR A 109 16.990 -4.925 -7.800 1.00 2.33 C ATOM 1598 C THR A 109 17.316 -5.471 -6.395 1.00 53.32 C ATOM 1599 O THR A 109 17.059 -6.615 -6.098 1.00 50.25 O ATOM 1600 CB THR A 109 17.973 -5.442 -8.840 1.00 41.24 C ATOM 1601 OG1 THR A 109 17.693 -4.778 -10.091 1.00 24.53 O ATOM 1602 CG2 THR A 109 17.879 -6.957 -9.016 1.00 34.54 C ATOM 0 H THR A 109 17.737 -3.129 -8.452 1.00 13.03 H new ATOM 0 HA THR A 109 15.985 -5.270 -8.044 1.00 2.33 H new ATOM 0 HB THR A 109 18.987 -5.226 -8.504 1.00 41.24 H new ATOM 0 HG1 THR A 109 18.317 -5.095 -10.777 1.00 24.53 H new ATOM 0 HG21 THR A 109 18.599 -7.281 -9.768 1.00 34.54 H new ATOM 0 HG22 THR A 109 18.099 -7.448 -8.068 1.00 34.54 H new ATOM 0 HG23 THR A 109 16.873 -7.224 -9.338 1.00 34.54 H new ATOM 1610 N ASP A 110 17.941 -4.670 -5.565 1.00 33.10 N ATOM 1611 CA ASP A 110 18.148 -5.063 -4.207 1.00 22.21 C ATOM 1612 C ASP A 110 16.874 -4.768 -3.387 1.00 62.33 C ATOM 1613 O ASP A 110 16.418 -5.596 -2.607 1.00 41.10 O ATOM 1614 CB ASP A 110 19.373 -4.389 -3.620 1.00 54.51 C ATOM 1615 CG ASP A 110 19.800 -5.022 -2.331 1.00 34.22 C ATOM 1616 OD1 ASP A 110 19.818 -6.282 -2.265 1.00 35.23 O ATOM 1617 OD2 ASP A 110 20.224 -4.294 -1.427 1.00 15.10 O ATOM 0 H ASP A 110 18.309 -3.751 -5.811 1.00 33.10 H new ATOM 0 HA ASP A 110 18.339 -6.135 -4.169 1.00 22.21 H new ATOM 0 HB2 ASP A 110 20.192 -4.439 -4.337 1.00 54.51 H new ATOM 0 HB3 ASP A 110 19.160 -3.333 -3.452 1.00 54.51 H new ATOM 1622 N MET A 111 16.274 -3.606 -3.662 1.00 41.31 N ATOM 1623 CA MET A 111 15.070 -3.102 -2.958 1.00 4.11 C ATOM 1624 C MET A 111 13.784 -3.837 -3.309 1.00 62.43 C ATOM 1625 O MET A 111 13.241 -4.542 -2.469 1.00 54.12 O ATOM 1626 CB MET A 111 14.840 -1.613 -3.216 1.00 20.33 C ATOM 1627 CG MET A 111 15.926 -0.706 -2.721 1.00 61.42 C ATOM 1628 SD MET A 111 15.557 1.030 -2.990 1.00 41.00 S ATOM 1629 CE MET A 111 15.487 1.090 -4.770 1.00 64.33 C ATOM 0 H MET A 111 16.608 -2.973 -4.389 1.00 41.31 H new ATOM 0 HA MET A 111 15.291 -3.284 -1.906 1.00 4.11 H new ATOM 0 HB2 MET A 111 14.721 -1.460 -4.289 1.00 20.33 H new ATOM 0 HB3 MET A 111 13.901 -1.320 -2.746 1.00 20.33 H new ATOM 0 HG2 MET A 111 16.081 -0.879 -1.656 1.00 61.42 H new ATOM 0 HG3 MET A 111 16.860 -0.957 -3.224 1.00 61.42 H new ATOM 0 HE1 MET A 111 15.515 2.128 -5.100 1.00 64.33 H new ATOM 0 HE2 MET A 111 16.340 0.554 -5.186 1.00 64.33 H new ATOM 0 HE3 MET A 111 14.563 0.625 -5.114 1.00 64.33 H new ATOM 1639 N GLN A 112 13.282 -3.661 -4.553 1.00 73.11 N ATOM 1640 CA GLN A 112 11.968 -4.222 -4.955 1.00 44.34 C ATOM 1641 C GLN A 112 11.940 -5.722 -4.764 1.00 31.23 C ATOM 1642 O GLN A 112 10.919 -6.297 -4.383 1.00 63.45 O ATOM 1643 CB GLN A 112 11.591 -3.849 -6.399 1.00 71.51 C ATOM 1644 CG GLN A 112 12.456 -4.462 -7.480 1.00 51.53 C ATOM 1645 CD GLN A 112 11.990 -4.103 -8.877 1.00 3.50 C ATOM 1646 OE1 GLN A 112 12.148 -4.879 -9.810 1.00 73.12 O ATOM 1647 NE2 GLN A 112 11.461 -2.916 -9.042 1.00 32.21 N ATOM 0 H GLN A 112 13.759 -3.141 -5.289 1.00 73.11 H new ATOM 0 HA GLN A 112 11.219 -3.774 -4.302 1.00 44.34 H new ATOM 0 HB2 GLN A 112 10.557 -4.146 -6.574 1.00 71.51 H new ATOM 0 HB3 GLN A 112 11.632 -2.764 -6.498 1.00 71.51 H new ATOM 0 HG2 GLN A 112 13.485 -4.129 -7.348 1.00 51.53 H new ATOM 0 HG3 GLN A 112 12.455 -5.546 -7.369 1.00 51.53 H new ATOM 0 HE21 GLN A 112 11.344 -2.294 -8.242 1.00 32.21 H new ATOM 0 HE22 GLN A 112 11.166 -2.614 -9.970 1.00 32.21 H new ATOM 1656 N LYS A 113 13.089 -6.325 -5.016 1.00 33.15 N ATOM 1657 CA LYS A 113 13.337 -7.760 -4.780 1.00 3.54 C ATOM 1658 C LYS A 113 12.870 -8.200 -3.376 1.00 61.22 C ATOM 1659 O LYS A 113 12.264 -9.246 -3.221 1.00 63.32 O ATOM 1660 CB LYS A 113 14.831 -7.988 -4.864 1.00 32.01 C ATOM 1661 CG LYS A 113 15.331 -9.403 -4.565 1.00 62.44 C ATOM 1662 CD LYS A 113 16.867 -9.439 -4.457 1.00 12.32 C ATOM 1663 CE LYS A 113 17.373 -8.506 -3.347 1.00 35.12 C ATOM 1664 NZ LYS A 113 18.846 -8.458 -3.258 1.00 50.50 N ATOM 0 H LYS A 113 13.898 -5.834 -5.397 1.00 33.15 H new ATOM 0 HA LYS A 113 12.784 -8.335 -5.523 1.00 3.54 H new ATOM 0 HB2 LYS A 113 15.160 -7.716 -5.867 1.00 32.01 H new ATOM 0 HB3 LYS A 113 15.319 -7.302 -4.172 1.00 32.01 H new ATOM 0 HG2 LYS A 113 14.890 -9.758 -3.634 1.00 62.44 H new ATOM 0 HG3 LYS A 113 15.003 -10.082 -5.352 1.00 62.44 H new ATOM 0 HD2 LYS A 113 17.195 -10.459 -4.255 1.00 12.32 H new ATOM 0 HD3 LYS A 113 17.307 -9.145 -5.410 1.00 12.32 H new ATOM 0 HE2 LYS A 113 16.993 -7.500 -3.525 1.00 35.12 H new ATOM 0 HE3 LYS A 113 16.968 -8.836 -2.390 1.00 35.12 H new ATOM 0 HZ1 LYS A 113 19.128 -7.738 -2.562 1.00 50.50 H new ATOM 0 HZ2 LYS A 113 19.206 -9.387 -2.961 1.00 50.50 H new ATOM 0 HZ3 LYS A 113 19.242 -8.215 -4.188 1.00 50.50 H new ATOM 1678 N ALA A 114 13.107 -7.356 -2.381 1.00 54.32 N ATOM 1679 CA ALA A 114 12.849 -7.681 -0.975 1.00 21.31 C ATOM 1680 C ALA A 114 11.353 -7.630 -0.607 1.00 23.44 C ATOM 1681 O ALA A 114 11.005 -7.552 0.567 1.00 72.22 O ATOM 1682 CB ALA A 114 13.651 -6.746 -0.084 1.00 11.53 C ATOM 0 H ALA A 114 13.486 -6.420 -2.522 1.00 54.32 H new ATOM 0 HA ALA A 114 13.165 -8.712 -0.816 1.00 21.31 H new ATOM 0 HB1 ALA A 114 13.460 -6.987 0.962 1.00 11.53 H new ATOM 0 HB2 ALA A 114 14.714 -6.865 -0.295 1.00 11.53 H new ATOM 0 HB3 ALA A 114 13.355 -5.715 -0.279 1.00 11.53 H new ATOM 1688 N GLY A 115 10.495 -7.733 -1.606 1.00 71.52 N ATOM 1689 CA GLY A 115 9.058 -7.699 -1.381 1.00 12.23 C ATOM 1690 C GLY A 115 8.566 -6.324 -0.983 1.00 54.32 C ATOM 1691 O GLY A 115 7.589 -6.186 -0.244 1.00 64.24 O ATOM 0 H GLY A 115 10.767 -7.841 -2.583 1.00 71.52 H new ATOM 0 HA2 GLY A 115 8.544 -8.017 -2.288 1.00 12.23 H new ATOM 0 HA3 GLY A 115 8.799 -8.414 -0.600 1.00 12.23 H new ATOM 1695 N MET A 116 9.226 -5.314 -1.485 1.00 54.21 N ATOM 1696 CA MET A 116 8.877 -3.949 -1.166 1.00 34.22 C ATOM 1697 C MET A 116 7.808 -3.452 -2.120 1.00 21.32 C ATOM 1698 O MET A 116 7.824 -3.797 -3.296 1.00 53.14 O ATOM 1699 CB MET A 116 10.115 -3.047 -1.218 1.00 71.01 C ATOM 1700 CG MET A 116 11.168 -3.361 -0.156 1.00 34.21 C ATOM 1701 SD MET A 116 10.565 -3.125 1.533 1.00 14.31 S ATOM 1702 CE MET A 116 10.152 -1.390 1.518 1.00 4.53 C ATOM 0 H MET A 116 10.016 -5.410 -2.123 1.00 54.21 H new ATOM 0 HA MET A 116 8.481 -3.916 -0.151 1.00 34.22 H new ATOM 0 HB2 MET A 116 10.573 -3.135 -2.203 1.00 71.01 H new ATOM 0 HB3 MET A 116 9.799 -2.010 -1.104 1.00 71.01 H new ATOM 0 HG2 MET A 116 11.500 -4.392 -0.276 1.00 34.21 H new ATOM 0 HG3 MET A 116 12.038 -2.725 -0.317 1.00 34.21 H new ATOM 0 HE1 MET A 116 9.954 -1.054 2.536 1.00 4.53 H new ATOM 0 HE2 MET A 116 10.985 -0.821 1.104 1.00 4.53 H new ATOM 0 HE3 MET A 116 9.265 -1.232 0.905 1.00 4.53 H new ATOM 1712 N SER A 117 6.884 -2.658 -1.621 1.00 12.21 N ATOM 1713 CA SER A 117 5.815 -2.156 -2.450 1.00 73.43 C ATOM 1714 C SER A 117 6.218 -0.803 -3.065 1.00 2.31 C ATOM 1715 O SER A 117 6.991 -0.019 -2.443 1.00 4.03 O ATOM 1716 CB SER A 117 4.509 -2.060 -1.650 1.00 43.03 C ATOM 1717 OG SER A 117 3.405 -1.914 -2.512 1.00 23.13 O ATOM 0 H SER A 117 6.854 -2.349 -0.649 1.00 12.21 H new ATOM 0 HA SER A 117 5.637 -2.853 -3.269 1.00 73.43 H new ATOM 0 HB2 SER A 117 4.384 -2.955 -1.040 1.00 43.03 H new ATOM 0 HB3 SER A 117 4.557 -1.212 -0.966 1.00 43.03 H new ATOM 0 HG SER A 117 2.725 -1.356 -2.080 1.00 23.13 H new ATOM 1723 N ALA A 118 5.670 -0.521 -4.248 1.00 34.44 N ATOM 1724 CA ALA A 118 6.056 0.614 -5.105 1.00 2.21 C ATOM 1725 C ALA A 118 6.012 1.952 -4.387 1.00 13.33 C ATOM 1726 O ALA A 118 6.915 2.777 -4.557 1.00 14.41 O ATOM 1727 CB ALA A 118 5.190 0.652 -6.354 1.00 52.10 C ATOM 0 H ALA A 118 4.925 -1.088 -4.652 1.00 34.44 H new ATOM 0 HA ALA A 118 7.096 0.450 -5.386 1.00 2.21 H new ATOM 0 HB1 ALA A 118 5.487 1.496 -6.977 1.00 52.10 H new ATOM 0 HB2 ALA A 118 5.317 -0.275 -6.913 1.00 52.10 H new ATOM 0 HB3 ALA A 118 4.144 0.762 -6.068 1.00 52.10 H new ATOM 1733 N GLU A 119 4.984 2.139 -3.575 1.00 15.33 N ATOM 1734 CA GLU A 119 4.764 3.353 -2.774 1.00 62.24 C ATOM 1735 C GLU A 119 6.030 3.728 -2.003 1.00 30.21 C ATOM 1736 O GLU A 119 6.398 4.899 -1.910 1.00 72.32 O ATOM 1737 CB GLU A 119 3.611 3.167 -1.747 1.00 52.11 C ATOM 1738 CG GLU A 119 2.289 2.599 -2.287 1.00 71.44 C ATOM 1739 CD GLU A 119 2.386 1.124 -2.616 1.00 30.22 C ATOM 1740 OE1 GLU A 119 2.229 0.296 -1.712 1.00 13.14 O ATOM 1741 OE2 GLU A 119 2.698 0.787 -3.768 1.00 75.31 O ATOM 0 H GLU A 119 4.255 1.438 -3.445 1.00 15.33 H new ATOM 0 HA GLU A 119 4.497 4.144 -3.475 1.00 62.24 H new ATOM 0 HB2 GLU A 119 3.965 2.509 -0.954 1.00 52.11 H new ATOM 0 HB3 GLU A 119 3.404 4.134 -1.290 1.00 52.11 H new ATOM 0 HG2 GLU A 119 1.502 2.753 -1.549 1.00 71.44 H new ATOM 0 HG3 GLU A 119 1.999 3.150 -3.182 1.00 71.44 H new ATOM 1748 N GLN A 120 6.716 2.722 -1.489 1.00 43.52 N ATOM 1749 CA GLN A 120 7.899 2.964 -0.716 1.00 55.43 C ATOM 1750 C GLN A 120 9.125 2.984 -1.622 1.00 73.33 C ATOM 1751 O GLN A 120 10.007 3.825 -1.460 1.00 31.12 O ATOM 1752 CB GLN A 120 8.053 1.915 0.389 1.00 34.03 C ATOM 1753 CG GLN A 120 9.252 2.144 1.307 1.00 54.51 C ATOM 1754 CD GLN A 120 9.182 3.454 2.082 1.00 53.31 C ATOM 1755 OE1 GLN A 120 8.118 3.940 2.412 1.00 42.45 O ATOM 1756 NE2 GLN A 120 10.321 4.027 2.370 1.00 72.24 N ATOM 0 H GLN A 120 6.468 1.739 -1.598 1.00 43.52 H new ATOM 0 HA GLN A 120 7.807 3.939 -0.238 1.00 55.43 H new ATOM 0 HB2 GLN A 120 7.145 1.903 0.992 1.00 34.03 H new ATOM 0 HB3 GLN A 120 8.144 0.931 -0.070 1.00 34.03 H new ATOM 0 HG2 GLN A 120 9.322 1.317 2.013 1.00 54.51 H new ATOM 0 HG3 GLN A 120 10.164 2.132 0.710 1.00 54.51 H new ATOM 0 HE21 GLN A 120 11.198 3.594 2.079 1.00 72.24 H new ATOM 0 HE22 GLN A 120 10.333 4.907 2.886 1.00 72.24 H new ATOM 1765 N ILE A 121 9.147 2.089 -2.607 1.00 34.13 N ATOM 1766 CA ILE A 121 10.292 1.955 -3.517 1.00 24.43 C ATOM 1767 C ILE A 121 10.601 3.287 -4.204 1.00 52.32 C ATOM 1768 O ILE A 121 11.761 3.751 -4.208 1.00 34.52 O ATOM 1769 CB ILE A 121 10.060 0.864 -4.599 1.00 12.25 C ATOM 1770 CG1 ILE A 121 9.716 -0.476 -3.959 1.00 43.21 C ATOM 1771 CG2 ILE A 121 11.304 0.704 -5.451 1.00 34.20 C ATOM 1772 CD1 ILE A 121 9.401 -1.565 -4.967 1.00 32.24 C ATOM 0 H ILE A 121 8.383 1.441 -2.799 1.00 34.13 H new ATOM 0 HA ILE A 121 11.140 1.652 -2.904 1.00 24.43 H new ATOM 0 HB ILE A 121 9.224 1.182 -5.222 1.00 12.25 H new ATOM 0 HG12 ILE A 121 10.552 -0.798 -3.337 1.00 43.21 H new ATOM 0 HG13 ILE A 121 8.859 -0.345 -3.298 1.00 43.21 H new ATOM 0 HG21 ILE A 121 11.132 -0.063 -6.206 1.00 34.20 H new ATOM 0 HG22 ILE A 121 11.534 1.650 -5.941 1.00 34.20 H new ATOM 0 HG23 ILE A 121 12.142 0.409 -4.819 1.00 34.20 H new ATOM 0 HD11 ILE A 121 9.165 -2.490 -4.441 1.00 32.24 H new ATOM 0 HD12 ILE A 121 8.546 -1.264 -5.573 1.00 32.24 H new ATOM 0 HD13 ILE A 121 10.265 -1.724 -5.612 1.00 32.24 H new ATOM 1784 N GLU A 122 9.562 3.939 -4.717 1.00 34.43 N ATOM 1785 CA GLU A 122 9.740 5.209 -5.397 1.00 72.33 C ATOM 1786 C GLU A 122 10.163 6.285 -4.427 1.00 55.25 C ATOM 1787 O GLU A 122 10.808 7.225 -4.812 1.00 75.42 O ATOM 1788 CB GLU A 122 8.486 5.675 -6.129 1.00 74.02 C ATOM 1789 CG GLU A 122 7.894 4.678 -7.099 1.00 55.25 C ATOM 1790 CD GLU A 122 8.925 3.995 -7.976 1.00 72.00 C ATOM 1791 OE1 GLU A 122 9.500 4.635 -8.865 1.00 32.24 O ATOM 1792 OE2 GLU A 122 9.191 2.791 -7.765 1.00 13.14 O ATOM 0 H GLU A 122 8.598 3.609 -4.674 1.00 34.43 H new ATOM 0 HA GLU A 122 10.521 5.040 -6.139 1.00 72.33 H new ATOM 0 HB2 GLU A 122 7.728 5.931 -5.389 1.00 74.02 H new ATOM 0 HB3 GLU A 122 8.722 6.590 -6.673 1.00 74.02 H new ATOM 0 HG2 GLU A 122 7.347 3.920 -6.538 1.00 55.25 H new ATOM 0 HG3 GLU A 122 7.170 5.188 -7.734 1.00 55.25 H new ATOM 1799 N TYR A 123 9.831 6.114 -3.155 1.00 64.35 N ATOM 1800 CA TYR A 123 10.169 7.096 -2.149 1.00 53.13 C ATOM 1801 C TYR A 123 11.670 7.038 -1.913 1.00 45.33 C ATOM 1802 O TYR A 123 12.377 8.071 -1.933 1.00 25.52 O ATOM 1803 CB TYR A 123 9.377 6.798 -0.863 1.00 1.10 C ATOM 1804 CG TYR A 123 9.653 7.711 0.308 1.00 74.41 C ATOM 1805 CD1 TYR A 123 9.067 8.965 0.391 1.00 42.12 C ATOM 1806 CD2 TYR A 123 10.486 7.306 1.343 1.00 62.11 C ATOM 1807 CE1 TYR A 123 9.307 9.792 1.470 1.00 54.11 C ATOM 1808 CE2 TYR A 123 10.726 8.122 2.425 1.00 22.52 C ATOM 1809 CZ TYR A 123 10.134 9.363 2.484 1.00 63.41 C ATOM 1810 OH TYR A 123 10.372 10.173 3.562 1.00 43.22 O ATOM 0 H TYR A 123 9.327 5.301 -2.800 1.00 64.35 H new ATOM 0 HA TYR A 123 9.905 8.102 -2.475 1.00 53.13 H new ATOM 0 HB2 TYR A 123 8.313 6.848 -1.095 1.00 1.10 H new ATOM 0 HB3 TYR A 123 9.589 5.773 -0.558 1.00 1.10 H new ATOM 0 HD1 TYR A 123 8.413 9.300 -0.401 1.00 42.12 H new ATOM 0 HD2 TYR A 123 10.954 6.334 1.298 1.00 62.11 H new ATOM 0 HE1 TYR A 123 8.849 10.769 1.519 1.00 54.11 H new ATOM 0 HE2 TYR A 123 11.375 7.791 3.222 1.00 22.52 H new ATOM 0 HH TYR A 123 10.976 9.718 4.186 1.00 43.22 H new ATOM 1820 N VAL A 124 12.164 5.820 -1.775 1.00 61.22 N ATOM 1821 CA VAL A 124 13.574 5.578 -1.577 1.00 21.32 C ATOM 1822 C VAL A 124 14.355 6.139 -2.766 1.00 53.11 C ATOM 1823 O VAL A 124 15.286 6.896 -2.594 1.00 4.10 O ATOM 1824 CB VAL A 124 13.885 4.066 -1.411 1.00 21.42 C ATOM 1825 CG1 VAL A 124 15.365 3.854 -1.151 1.00 71.42 C ATOM 1826 CG2 VAL A 124 13.058 3.458 -0.279 1.00 43.44 C ATOM 0 H VAL A 124 11.595 4.974 -1.798 1.00 61.22 H new ATOM 0 HA VAL A 124 13.876 6.079 -0.657 1.00 21.32 H new ATOM 0 HB VAL A 124 13.615 3.563 -2.340 1.00 21.42 H new ATOM 0 HG11 VAL A 124 15.565 2.789 -1.037 1.00 71.42 H new ATOM 0 HG12 VAL A 124 15.941 4.244 -1.990 1.00 71.42 H new ATOM 0 HG13 VAL A 124 15.653 4.377 -0.239 1.00 71.42 H new ATOM 0 HG21 VAL A 124 13.295 2.398 -0.184 1.00 43.44 H new ATOM 0 HG22 VAL A 124 13.291 3.967 0.656 1.00 43.44 H new ATOM 0 HG23 VAL A 124 11.997 3.574 -0.501 1.00 43.44 H new ATOM 1836 N LYS A 125 13.891 5.839 -3.964 1.00 41.25 N ATOM 1837 CA LYS A 125 14.541 6.323 -5.189 1.00 70.41 C ATOM 1838 C LYS A 125 14.334 7.821 -5.406 1.00 5.21 C ATOM 1839 O LYS A 125 14.940 8.405 -6.294 1.00 75.10 O ATOM 1840 CB LYS A 125 14.039 5.555 -6.404 1.00 44.25 C ATOM 1841 CG LYS A 125 14.343 4.074 -6.352 1.00 1.23 C ATOM 1842 CD LYS A 125 13.791 3.324 -7.555 1.00 51.43 C ATOM 1843 CE LYS A 125 12.291 3.478 -7.645 1.00 70.20 C ATOM 1844 NZ LYS A 125 11.683 2.565 -8.626 1.00 61.44 N ATOM 0 H LYS A 125 13.066 5.262 -4.126 1.00 41.25 H new ATOM 0 HA LYS A 125 15.610 6.150 -5.064 1.00 70.41 H new ATOM 0 HB2 LYS A 125 12.961 5.693 -6.491 1.00 44.25 H new ATOM 0 HB3 LYS A 125 14.488 5.978 -7.302 1.00 44.25 H new ATOM 0 HG2 LYS A 125 15.422 3.929 -6.301 1.00 1.23 H new ATOM 0 HG3 LYS A 125 13.922 3.652 -5.440 1.00 1.23 H new ATOM 0 HD2 LYS A 125 14.254 3.700 -8.467 1.00 51.43 H new ATOM 0 HD3 LYS A 125 14.048 2.267 -7.479 1.00 51.43 H new ATOM 0 HE2 LYS A 125 11.852 3.295 -6.664 1.00 70.20 H new ATOM 0 HE3 LYS A 125 12.051 4.506 -7.915 1.00 70.20 H new ATOM 0 HZ1 LYS A 125 10.757 2.245 -8.276 1.00 61.44 H new ATOM 0 HZ2 LYS A 125 11.558 3.061 -9.531 1.00 61.44 H new ATOM 0 HZ3 LYS A 125 12.303 1.742 -8.765 1.00 61.44 H new ATOM 1858 N ALA A 126 13.470 8.429 -4.618 1.00 12.52 N ATOM 1859 CA ALA A 126 13.210 9.836 -4.754 1.00 20.14 C ATOM 1860 C ALA A 126 14.110 10.631 -3.812 1.00 54.41 C ATOM 1861 O ALA A 126 14.442 11.777 -4.084 1.00 2.54 O ATOM 1862 CB ALA A 126 11.726 10.136 -4.518 1.00 1.44 C ATOM 0 H ALA A 126 12.940 7.966 -3.880 1.00 12.52 H new ATOM 0 HA ALA A 126 13.443 10.145 -5.773 1.00 20.14 H new ATOM 0 HB1 ALA A 126 11.550 11.206 -4.625 1.00 1.44 H new ATOM 0 HB2 ALA A 126 11.125 9.594 -5.248 1.00 1.44 H new ATOM 0 HB3 ALA A 126 11.447 9.821 -3.512 1.00 1.44 H new ATOM 1868 N ASN A 127 14.486 10.018 -2.690 1.00 73.35 N ATOM 1869 CA ASN A 127 15.409 10.680 -1.742 1.00 52.52 C ATOM 1870 C ASN A 127 16.874 10.270 -2.002 1.00 40.13 C ATOM 1871 O ASN A 127 17.796 11.073 -1.878 1.00 55.51 O ATOM 1872 CB ASN A 127 15.033 10.365 -0.272 1.00 53.34 C ATOM 1873 CG ASN A 127 15.904 11.119 0.750 1.00 44.30 C ATOM 1874 OD1 ASN A 127 16.350 12.230 0.505 1.00 24.54 O ATOM 1875 ND2 ASN A 127 16.136 10.520 1.901 1.00 51.21 N ATOM 0 H ASN A 127 14.180 9.086 -2.411 1.00 73.35 H new ATOM 0 HA ASN A 127 15.312 11.753 -1.905 1.00 52.52 H new ATOM 0 HB2 ASN A 127 13.987 10.622 -0.108 1.00 53.34 H new ATOM 0 HB3 ASN A 127 15.129 9.293 -0.101 1.00 53.34 H new ATOM 0 HD21 ASN A 127 16.700 10.984 2.613 1.00 51.21 H new ATOM 0 HD22 ASN A 127 15.752 9.592 2.080 1.00 51.21 H new ATOM 1882 N LEU A 128 17.081 9.025 -2.375 1.00 21.20 N ATOM 1883 CA LEU A 128 18.426 8.511 -2.572 1.00 24.02 C ATOM 1884 C LEU A 128 18.914 8.753 -3.996 1.00 41.42 C ATOM 1885 O LEU A 128 18.251 8.379 -4.962 1.00 0.43 O ATOM 1886 CB LEU A 128 18.537 7.011 -2.216 1.00 33.21 C ATOM 1887 CG LEU A 128 18.467 6.609 -0.721 1.00 0.14 C ATOM 1888 CD1 LEU A 128 17.130 6.949 -0.074 1.00 63.20 C ATOM 1889 CD2 LEU A 128 18.765 5.137 -0.572 1.00 62.20 C ATOM 0 H LEU A 128 16.338 8.348 -2.549 1.00 21.20 H new ATOM 0 HA LEU A 128 19.069 9.063 -1.887 1.00 24.02 H new ATOM 0 HB2 LEU A 128 17.740 6.484 -2.741 1.00 33.21 H new ATOM 0 HB3 LEU A 128 19.481 6.642 -2.617 1.00 33.21 H new ATOM 0 HG LEU A 128 19.222 7.195 -0.196 1.00 0.14 H new ATOM 0 HD11 LEU A 128 17.144 6.643 0.972 1.00 63.20 H new ATOM 0 HD12 LEU A 128 16.959 8.024 -0.136 1.00 63.20 H new ATOM 0 HD13 LEU A 128 16.330 6.424 -0.595 1.00 63.20 H new ATOM 0 HD21 LEU A 128 18.714 4.860 0.481 1.00 62.20 H new ATOM 0 HD22 LEU A 128 18.032 4.559 -1.135 1.00 62.20 H new ATOM 0 HD23 LEU A 128 19.764 4.927 -0.955 1.00 62.20 H new ATOM 1901 N PRO A 129 20.089 9.372 -4.147 1.00 5.41 N ATOM 1902 CA PRO A 129 20.644 9.672 -5.441 1.00 1.10 C ATOM 1903 C PRO A 129 21.318 8.454 -6.077 1.00 31.14 C ATOM 1904 O PRO A 129 21.833 7.567 -5.384 1.00 52.30 O ATOM 1905 CB PRO A 129 21.668 10.769 -5.144 1.00 73.41 C ATOM 1906 CG PRO A 129 22.112 10.514 -3.746 1.00 70.32 C ATOM 1907 CD PRO A 129 20.969 9.820 -3.048 1.00 72.11 C ATOM 0 HA PRO A 129 19.879 9.975 -6.156 1.00 1.10 H new ATOM 0 HB2 PRO A 129 22.507 10.724 -5.839 1.00 73.41 H new ATOM 0 HB3 PRO A 129 21.225 11.760 -5.243 1.00 73.41 H new ATOM 0 HG2 PRO A 129 23.008 9.894 -3.732 1.00 70.32 H new ATOM 0 HG3 PRO A 129 22.363 11.448 -3.243 1.00 70.32 H new ATOM 0 HD2 PRO A 129 21.320 8.978 -2.451 1.00 72.11 H new ATOM 0 HD3 PRO A 129 20.447 10.496 -2.371 1.00 72.11 H new ATOM 1915 N GLN A 130 21.326 8.427 -7.394 1.00 14.40 N ATOM 1916 CA GLN A 130 21.893 7.314 -8.128 1.00 22.03 C ATOM 1917 C GLN A 130 23.428 7.382 -8.178 1.00 73.12 C ATOM 1918 O GLN A 130 24.015 8.135 -8.998 1.00 71.52 O ATOM 1919 CB GLN A 130 21.278 7.211 -9.529 1.00 41.43 C ATOM 1920 CG GLN A 130 19.758 7.115 -9.495 1.00 15.32 C ATOM 1921 CD GLN A 130 19.123 6.860 -10.844 1.00 44.13 C ATOM 1922 OE1 GLN A 130 18.917 5.723 -11.235 1.00 42.44 O ATOM 1923 NE2 GLN A 130 18.786 7.907 -11.553 1.00 64.34 N ATOM 0 H GLN A 130 20.944 9.168 -7.981 1.00 14.40 H new ATOM 0 HA GLN A 130 21.640 6.401 -7.589 1.00 22.03 H new ATOM 0 HB2 GLN A 130 21.570 8.082 -10.115 1.00 41.43 H new ATOM 0 HB3 GLN A 130 21.683 6.335 -10.036 1.00 41.43 H new ATOM 0 HG2 GLN A 130 19.471 6.314 -8.813 1.00 15.32 H new ATOM 0 HG3 GLN A 130 19.356 8.042 -9.086 1.00 15.32 H new ATOM 0 HE21 GLN A 130 18.972 8.845 -11.198 1.00 64.34 H new ATOM 0 HE22 GLN A 130 18.337 7.785 -12.461 1.00 64.34 H new ATOM 1973 N GLY A 134 23.652 1.648 -7.173 1.00 31.05 N ATOM 1974 CA GLY A 134 22.368 2.190 -7.547 1.00 43.34 C ATOM 1975 C GLY A 134 21.917 3.418 -6.760 1.00 23.31 C ATOM 1976 O GLY A 134 21.911 4.516 -7.287 1.00 2.13 O ATOM 0 HA2 GLY A 134 22.397 2.449 -8.605 1.00 43.34 H new ATOM 0 HA3 GLY A 134 21.616 1.409 -7.431 1.00 43.34 H new ATOM 1980 N TYR A 135 21.541 3.225 -5.516 1.00 74.20 N ATOM 1981 CA TYR A 135 20.931 4.284 -4.712 1.00 2.15 C ATOM 1982 C TYR A 135 21.659 4.474 -3.395 1.00 42.45 C ATOM 1983 O TYR A 135 21.625 3.605 -2.529 1.00 33.41 O ATOM 1984 CB TYR A 135 19.434 3.969 -4.511 1.00 32.01 C ATOM 1985 CG TYR A 135 18.674 4.025 -5.816 1.00 22.43 C ATOM 1986 CD1 TYR A 135 18.265 5.235 -6.349 1.00 50.44 C ATOM 1987 CD2 TYR A 135 18.419 2.866 -6.544 1.00 14.13 C ATOM 1988 CE1 TYR A 135 17.629 5.294 -7.571 1.00 55.52 C ATOM 1989 CE2 TYR A 135 17.774 2.916 -7.759 1.00 42.53 C ATOM 1990 CZ TYR A 135 17.387 4.133 -8.273 1.00 52.42 C ATOM 1991 OH TYR A 135 16.764 4.189 -9.498 1.00 60.21 O ATOM 0 H TYR A 135 21.645 2.337 -5.026 1.00 74.20 H new ATOM 0 HA TYR A 135 21.018 5.232 -5.242 1.00 2.15 H new ATOM 0 HB2 TYR A 135 19.326 2.979 -4.069 1.00 32.01 H new ATOM 0 HB3 TYR A 135 19.003 4.681 -3.807 1.00 32.01 H new ATOM 0 HD1 TYR A 135 18.447 6.147 -5.799 1.00 50.44 H new ATOM 0 HD2 TYR A 135 18.733 1.911 -6.149 1.00 14.13 H new ATOM 0 HE1 TYR A 135 17.322 6.247 -7.977 1.00 55.52 H new ATOM 0 HE2 TYR A 135 17.573 2.006 -8.305 1.00 42.53 H new ATOM 0 HH TYR A 135 17.343 4.653 -10.138 1.00 60.21 H new ATOM 2001 N ASP A 136 22.318 5.611 -3.266 1.00 10.34 N ATOM 2002 CA ASP A 136 23.171 5.939 -2.104 1.00 20.43 C ATOM 2003 C ASP A 136 22.407 6.062 -0.777 1.00 12.23 C ATOM 2004 O ASP A 136 21.828 7.127 -0.437 1.00 13.45 O ATOM 2005 CB ASP A 136 24.013 7.196 -2.377 1.00 31.40 C ATOM 2006 CG ASP A 136 24.681 7.733 -1.129 1.00 2.21 C ATOM 2007 OD1 ASP A 136 25.183 6.932 -0.329 1.00 63.41 O ATOM 2008 OD2 ASP A 136 24.624 8.956 -0.908 1.00 71.15 O ATOM 0 H ASP A 136 22.285 6.352 -3.966 1.00 10.34 H new ATOM 0 HA ASP A 136 23.837 5.085 -1.978 1.00 20.43 H new ATOM 0 HB2 ASP A 136 24.775 6.964 -3.121 1.00 31.40 H new ATOM 0 HB3 ASP A 136 23.375 7.970 -2.805 1.00 31.40 H new ATOM 2013 N TYR A 137 22.446 4.998 0.024 1.00 72.33 N ATOM 2014 CA TYR A 137 21.706 5.006 1.261 1.00 32.45 C ATOM 2015 C TYR A 137 22.427 5.800 2.322 1.00 5.30 C ATOM 2016 O TYR A 137 21.885 6.039 3.393 1.00 23.33 O ATOM 2017 CB TYR A 137 21.283 3.597 1.775 1.00 72.03 C ATOM 2018 CG TYR A 137 22.368 2.726 2.387 1.00 22.23 C ATOM 2019 CD1 TYR A 137 22.700 2.850 3.735 1.00 52.33 C ATOM 2020 CD2 TYR A 137 23.031 1.769 1.644 1.00 40.11 C ATOM 2021 CE1 TYR A 137 23.662 2.057 4.314 1.00 3.44 C ATOM 2022 CE2 TYR A 137 23.997 0.964 2.220 1.00 74.34 C ATOM 2023 CZ TYR A 137 24.307 1.115 3.557 1.00 40.13 C ATOM 2024 OH TYR A 137 25.265 0.319 4.133 1.00 61.31 O ATOM 0 H TYR A 137 22.972 4.144 -0.164 1.00 72.33 H new ATOM 0 HA TYR A 137 20.765 5.507 1.032 1.00 32.45 H new ATOM 0 HB2 TYR A 137 20.498 3.731 2.519 1.00 72.03 H new ATOM 0 HB3 TYR A 137 20.842 3.051 0.941 1.00 72.03 H new ATOM 0 HD1 TYR A 137 22.190 3.586 4.338 1.00 52.33 H new ATOM 0 HD2 TYR A 137 22.792 1.647 0.598 1.00 40.11 H new ATOM 0 HE1 TYR A 137 23.908 2.176 5.359 1.00 3.44 H new ATOM 0 HE2 TYR A 137 24.507 0.220 1.626 1.00 74.34 H new ATOM 0 HH TYR A 137 25.855 -0.039 3.437 1.00 61.31 H new ATOM 2034 N ALA A 138 23.629 6.246 2.022 1.00 44.21 N ATOM 2035 CA ALA A 138 24.337 7.072 2.938 1.00 34.02 C ATOM 2036 C ALA A 138 23.727 8.465 2.898 1.00 2.34 C ATOM 2037 O ALA A 138 23.747 9.196 3.909 1.00 65.54 O ATOM 2038 CB ALA A 138 25.829 7.080 2.652 1.00 22.33 C ATOM 0 H ALA A 138 24.122 6.044 1.152 1.00 44.21 H new ATOM 0 HA ALA A 138 24.239 6.672 3.947 1.00 34.02 H new ATOM 0 HB1 ALA A 138 26.334 7.722 3.373 1.00 22.33 H new ATOM 0 HB2 ALA A 138 26.220 6.066 2.733 1.00 22.33 H new ATOM 0 HB3 ALA A 138 26.004 7.458 1.645 1.00 22.33 H new ATOM 2044 N ALA A 139 23.090 8.810 1.753 1.00 12.23 N ATOM 2045 CA ALA A 139 22.386 10.076 1.650 1.00 15.21 C ATOM 2046 C ALA A 139 21.184 10.012 2.551 1.00 13.42 C ATOM 2047 O ALA A 139 20.840 10.969 3.221 1.00 35.33 O ATOM 2048 CB ALA A 139 21.942 10.338 0.229 1.00 73.14 C ATOM 0 H ALA A 139 23.058 8.232 0.913 1.00 12.23 H new ATOM 0 HA ALA A 139 23.052 10.887 1.945 1.00 15.21 H new ATOM 0 HB1 ALA A 139 21.418 11.292 0.182 1.00 73.14 H new ATOM 0 HB2 ALA A 139 22.814 10.370 -0.425 1.00 73.14 H new ATOM 0 HB3 ALA A 139 21.274 9.541 -0.096 1.00 73.14 H new ATOM 2054 N TRP A 140 20.602 8.835 2.592 1.00 41.12 N ATOM 2055 CA TRP A 140 19.460 8.520 3.420 1.00 35.14 C ATOM 2056 C TRP A 140 19.838 8.610 4.903 1.00 32.14 C ATOM 2057 O TRP A 140 19.115 9.187 5.705 1.00 25.10 O ATOM 2058 CB TRP A 140 18.976 7.117 3.051 1.00 65.11 C ATOM 2059 CG TRP A 140 17.886 6.581 3.900 1.00 0.15 C ATOM 2060 CD1 TRP A 140 16.604 7.014 3.951 1.00 64.21 C ATOM 2061 CD2 TRP A 140 17.984 5.484 4.809 1.00 22.25 C ATOM 2062 NE1 TRP A 140 15.894 6.274 4.856 1.00 53.34 N ATOM 2063 CE2 TRP A 140 16.719 5.319 5.399 1.00 45.33 C ATOM 2064 CE3 TRP A 140 19.029 4.631 5.189 1.00 33.42 C ATOM 2065 CZ2 TRP A 140 16.461 4.332 6.347 1.00 4.54 C ATOM 2066 CZ3 TRP A 140 18.773 3.651 6.129 1.00 33.23 C ATOM 2067 CH2 TRP A 140 17.499 3.509 6.699 1.00 31.40 C ATOM 0 H TRP A 140 20.921 8.045 2.032 1.00 41.12 H new ATOM 0 HA TRP A 140 18.656 9.236 3.249 1.00 35.14 H new ATOM 0 HB2 TRP A 140 18.636 7.128 2.015 1.00 65.11 H new ATOM 0 HB3 TRP A 140 19.823 6.433 3.101 1.00 65.11 H new ATOM 0 HD1 TRP A 140 16.201 7.825 3.363 1.00 64.21 H new ATOM 0 HE1 TRP A 140 14.910 6.409 5.090 1.00 53.34 H new ATOM 0 HE3 TRP A 140 20.013 4.737 4.757 1.00 33.42 H new ATOM 0 HZ2 TRP A 140 15.481 4.219 6.788 1.00 4.54 H new ATOM 0 HZ3 TRP A 140 19.567 2.983 6.430 1.00 33.23 H new ATOM 0 HH2 TRP A 140 17.332 2.733 7.432 1.00 31.40 H new